| 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 | 80.5 | Confident | 68.3 | Low | 89 Ų | 89 | 60.8 Ų | 60.8 | 44% | 0.438 | 40% | 0.402 | S | S | . | . | 0 | 154.6 | 0 | -166 | 171.7 | -170.5 | 0 | 0 | 108.9 | P14 N15 L209 | M1-P14 HydrophobicContact CB-CB 4.13Å; M1-P14 HydrophobicContact CB-CG 4.07Å; M1-N15 PolarHBondContact N-OD1 3.49Å; M1-N15 PolarHBondContact O-ND2 3.43Å; M1-N15 PolarHBondContact O-OD1 3Å; M1-L209 HydrophobicContact CB-CD1 4.19Å | |||
| 2 | P | 82.3 | Confident | 67.7 | Low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | trans | -68 | 135.4 | -175.6 | -20.5 | 34.6 | 0 | 0 | 0 | 112.4 | H4 T5 G125 F206 C208 I257 | P2-H4 PolarHBondContact O-N 2.82Å; P2-H4 VanDerWaalsContact O-N 3.12Å; P2-T5 HydrophobicContact CB-CG2 4.15Å; P2-T5 HydrophobicContact CG-CG2 4.4Å; P2-T5 PolarHBondContact O-N 3.43Å; P2-T5 VanDerWaalsContact O-N 3.11Å; P2-T5 PolarHBondContact O-OG1 3.19Å; P2-G125 WeakPolarHBondContact CA-O 3.47Å; P2-F206 HydrophobicContact CB-CD1 4.21Å; P2-F206 HydrophobicContact CG-CD1 3.53Å; P2-F206 HydrophobicContact CG-CE1 3.63Å; P2-F206 WeakPolarHBondContact CG-O 3.4Å; P2-C208 WeakPolarHBondContact CD-O 3.28Å; P2-I257 HydrophobicContact CB-CD1 3.9Å; P2-I257 HydrophobicContact CG-CD1 3.81Å | ||
| 3 | N | 83.5 | Confident | 68.1 | Low | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -64.7 | -21.5 | -170.9 | -79 | -27.4 | 0 | 0 | 0 | 114.5 | T5 R13 N15 T123 V124 G125 D126 | N3-T5 VanDerWaalsContact C-N 3.29Å; N3-T5 PolarHBondContact O-N 3.37Å; N3-R13 HydrophobicContact CB-CG 4.4Å; N3-R13 PolarHBondContact ND2-NH1 3.49Å; N3-N15 PolarHBondContact OD1-ND2 2.91Å; N3-T123 PolarHBondContact ND2-OG1 2.6Å; N3-V124 PolarHBondContact ND2-O 3.5Å; N3-V124 PolarHBondContact OD1-O 3.2Å; N3-G125 PolarHBondContact N-O 3.27Å; N3-D126 VanDerWaalsContact ND2-CG 3.32Å; N3-D126 PolarHBondContact ND2-N 3.1Å; N3-D126 PolarHBondContact ND2-OD1 3.27Å |
| 4 | H | 80.2 | Confident | 68.6 | Low | 41 Ų | 41 | 59.9 Ų | 59.9 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -77.2 | -10.9 | 178.4 | 76.3 | -100.3 | 0 | 0 | 0 | 113.4 | P2 V6 P203 F206 | P2-H4 PolarHBondContact O-N 2.82Å; P2-H4 VanDerWaalsContact O-N 3.12Å; H4-V6 VanDerWaalsContact C-N 3.26Å; H4-V6 PolarHBondContact O-N 3.43Å; H4-P203 PolarHBondContact CE1-O 2.71Å; H4-P203 PolarHBondContact NE2-O 3.37Å; H4-F206 PolarHBondContact CE1-O 3.29Å; H4-F206 PolarHBondContact NE2-O 2.88Å |
| 5 | T | 74.3 | Confident | 69.6 | Low | 39 Ų | 39 | 56.9 Ų | 56.9 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -76.8 | -12.7 | -176.6 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | P2 N3 R207 | P2-T5 HydrophobicContact CB-CG2 4.15Å; P2-T5 HydrophobicContact CG-CG2 4.4Å; P2-T5 PolarHBondContact O-N 3.43Å; P2-T5 VanDerWaalsContact O-N 3.11Å; P2-T5 PolarHBondContact O-OG1 3.19Å; N3-T5 VanDerWaalsContact C-N 3.29Å; N3-T5 PolarHBondContact O-N 3.37Å; T5-R207 HydrophobicContact CG2-CG 4.16Å |
| 6 | V | 70 | Confident | 70.1 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 38% | 0.376 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -119.1 | 107.8 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | H4 G8 A12 P14 | H4-V6 VanDerWaalsContact C-N 3.26Å; H4-V6 PolarHBondContact O-N 3.43Å; V6-G8 PolarHBondContact O-N 3.18Å; V6-A12 WeakPolarHBondContact CG1-O 3.29Å; V6-P14 HydrophobicContact CG2-CG 4.38Å |
| 7 | A | 56.1 | Low | 70.9 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 79% | 0.785 | 41% | 0.406 | S | S | * | . | trans | -76.7 | 111.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | G | 57.2 | Low | 71.7 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 54% | 0.536 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 179.9 | -178.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V6 | V6-G8 PolarHBondContact O-N 3.18Š|
| 9 | S | 55.7 | Low | 72.2 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 66% | 0.657 | 42% | 0.419 | S | S | * | . | trans | -66.6 | 162 | 173.9 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | G11 A12 | S9-G11 PolarHBondContact O-N 2.99Å; S9-A12 PolarHBondContact O-N 2.83Å | ||
| 10 | K | 55.6 | Low | 72.9 | Confident | 135 Ų | 135 | 66.2 Ų | 66.2 | 59% | 0.587 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -49.5 | -31.3 | -173.7 | -83.5 | -166.4 | 176.3 | -170.6 | 0 | 114.3 | D121 | K10-D121 IonicContact NZ-OD1 2.63Å; K10-D121 PolarHBondContact NZ-OD1 3.41Å |
| 11 | G | 55.4 | Low | 73.8 | Confident | 56 Ų | 56 | 63 Ų | 63 | 58% | 0.577 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -70.2 | -28.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S9 R13 S16 | S9-G11 PolarHBondContact O-N 2.99Å; G11-R13 VanDerWaalsContact C-N 3.26Å; G11-R13 PolarHBondContact O-N 3.49Å; G11-S16 WeakPolarHBondContact O-CB 3.43Å; G11-S16 PolarHBondContact O-OG 3.31Å |
| 12 | A | 62.1 | Low | 74.3 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -80.7 | -0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V6 S9 | V6-A12 WeakPolarHBondContact CG1-O 3.29Å; S9-A12 PolarHBondContact O-N 2.83Å |
| 13 | R | 72.4 | Confident | 74.3 | Confident | 62 Ų | 62 | 64 Ų | 64 | 23% | 0.234 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -65.1 | 138.9 | 177.3 | -73.8 | 178.1 | 164.9 | -144.8 | -11.6 | 110.8 | N3 G11 N15 S16 T123 D126 | N3-R13 HydrophobicContact CB-CG 4.4Å; N3-R13 PolarHBondContact ND2-NH1 3.49Å; G11-R13 VanDerWaalsContact C-N 3.26Å; G11-R13 PolarHBondContact O-N 3.49Å; R13-N15 PolarHBondContact O-N 3.3Å; R13-S16 WeakPolarHBondContact O-CB 3.44Å; R13-S16 PolarHBondContact O-N 3.3Å; R13-S16 VanDerWaalsContact O-N 3.08Å; R13-S16 PolarHBondContact O-OG 3.1Å; R13-T123 PolarHBondContact NH1-OG1 3.26Å; R13-D126 IonicContact CZ-OD1 2.67Å; R13-D126 IonicContact NH1-OD1 3.38Å; R13-D126 PolarHBondContact NH1-OD1 3.15Å; R13-D126 IonicContact NH1-OD2 2.74Å; R13-D126 PolarHBondContact NH1-OD2 2.95Å; R13-D126 IonicContact NH2-OD1 2.91Å |
| 14 | P | 75.1 | Confident | 74.2 | Confident | 56 Ų | 56 | 68 Ų | 68 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.8 | -173.6 | 26 | -35.2 | 0 | 0 | 0 | 114.5 | M1 V6 | M1-P14 HydrophobicContact CB-CB 4.13Å; M1-P14 HydrophobicContact CB-CG 4.07Å; V6-P14 HydrophobicContact CG2-CG 4.38Å |
| 15 | N | 83.6 | Confident | 74 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 9% | 0.086 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 23.4 | 178.8 | -31.8 | -73.3 | 0 | 0 | 0 | 112.3 | M1 N3 R13 A17 Y18 V124 | M1-N15 PolarHBondContact N-OD1 3.49Å; M1-N15 PolarHBondContact O-ND2 3.43Å; M1-N15 PolarHBondContact O-OD1 3Å; N3-N15 PolarHBondContact OD1-ND2 2.91Å; R13-N15 PolarHBondContact O-N 3.3Å; N15-A17 PolarHBondContact O-N 3.06Å; N15-A17 VanDerWaalsContact O-N 3.15Å; N15-Y18 HydrophobicContact CB-CD2 3.7Å; N15-Y18 HydrophobicContact CB-CE2 4.13Å; N15-Y18 WeakPolarHBondContact O-CD2 3.49Å; N15-Y18 PolarHBondContact O-N 3.29Å; N15-Y18 VanDerWaalsContact O-N 3.11Å; N15-V124 HydrophobicContact CB-CB 4.11Å; N15-V124 HydrophobicContact CB-CG1 4.14Å; N15-V124 WeakPolarHBondContact CB-O 3.47Å; N15-V124 PolarHBondContact ND2-O 3.19Å |
| 16 | S | 77.8 | Confident | 74.3 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.2 | -177.9 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | G11 R13 | G11-S16 WeakPolarHBondContact O-CB 3.43Å; G11-S16 PolarHBondContact O-OG 3.31Å; R13-S16 WeakPolarHBondContact O-CB 3.44Å; R13-S16 PolarHBondContact O-N 3.3Å; R13-S16 VanDerWaalsContact O-N 3.08Å; R13-S16 PolarHBondContact O-OG 3.1Å |
| 17 | A | 83.7 | Confident | 74.6 | Confident | 103 Ų | 103 | 65.6 Ų | 65.6 | 85% | 0.851 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | N15 | N15-A17 PolarHBondContact O-N 3.06Å; N15-A17 VanDerWaalsContact O-N 3.15Å |
| 18 | Y | 85.4 | Confident | 75.9 | Confident | 146 Ų | 146 | 61.9 Ų | 61.9 | 57% | 0.573 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -84.2 | 156.9 | 179.1 | -66.4 | -94 | 0 | 0 | 0 | 111.7 | N15 V124 | N15-Y18 HydrophobicContact CB-CD2 3.7Å; N15-Y18 HydrophobicContact CB-CE2 4.13Å; N15-Y18 WeakPolarHBondContact O-CD2 3.49Å; N15-Y18 PolarHBondContact O-N 3.29Å; N15-Y18 VanDerWaalsContact O-N 3.11Å; Y18-V124 HydrophobicContact CD1-CG2 4.41Å; Y18-V124 HydrophobicContact CD2-CG1 4.49Å; Y18-V124 HydrophobicContact CG-CB 4.26Å; Y18-V124 HydrophobicContact CG-CG1 4.45Å; Y18-V124 HydrophobicContact CG-CG2 4.13Å |
| 19 | K | 80 | Confident | 77.2 | Confident | 112 Ų | 112 | 63.6 Ų | 63.6 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 139.4 | 179.4 | -53.5 | -172.7 | -164.1 | 86.3 | 0 | 110.9 | A261 P263 D264 | K19-A261 WeakPolarHBondContact O-CB 3.5Å; K19-P263 HydrophobicContact CD-CB 4.26Å; K19-P263 HydrophobicContact CD-CG 4.1Å; K19-D264 IonicContact NZ-OD1 3.62Å; K19-D264 PolarHBondContact NZ-OD1 2.79Å; K19-D264 IonicContact NZ-OD2 3.01Å; K19-D264 PolarHBondContact NZ-OD2 2.96Å |
| 20 | G | 86.7 | Confident | 78.5 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 158.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K22 | G20-K22 PolarHBondContact O-N 3.4Š|
| 21 | N | 92.2 | Very high | 80 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -75.5 | 27 | -172 | -170.5 | 48.2 | 0 | 0 | 0 | 115.4 | W119 V122 P137 R244 A261 G262 | N21-W119 VanDerWaalsContact CB-O 3.29Å; N21-W119 WeakPolarHBondContact CB-O 3.24Å; N21-W119 PolarHBondContact ND2-O 2.87Å; N21-V122 HydrophobicContact CB-CB 3.95Å; N21-V122 WeakPolarHBondContact CB-O 3.42Å; N21-V122 PolarHBondContact N-O 3.43Å; N21-P137 PolarHBondContact ND2-O 3.35Å; N21-P137 PolarHBondContact OD1-O 3.4Å; N21-R244 PolarHBondContact OD1-NH1 3.34Å; N21-A261 HydrophobicContact CB-CB 4Å; N21-G262 PolarHBondContact OD1-N 2.97Å |
| 22 | K | 90.1 | Very high | 81.6 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | trans | -76.3 | 126.3 | 176.8 | -171.8 | -159.6 | 172.8 | -160 | 0 | 110.6 | G20 N100 K120 | G20-K22 PolarHBondContact O-N 3.4Å; K22-N100 VanDerWaalsContact CA-OD1 3.29Å; K22-N100 WeakPolarHBondContact CA-OD1 3.22Å; K22-N100 WeakPolarHBondContact CG-OD1 3.48Å; K22-K120 HydrophobicContact CB-CB 4.29Å; K22-K120 HydrophobicContact CG-CB 4.45Å | ||
| 23 | V | 83.3 | Confident | 83 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | trans | -88.4 | 144 | 168.4 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | T25 N100 M268 | V23-T25 HydrophobicContact CG1-CG2 4.25Å; V23-N100 PolarHBondContact N-OD1 2.64Å; V23-N100 PolarHBondContact O-ND2 2.83Å; V23-M268 HydrophobicContact CG1-CE 4.04Å; V23-M268 HydrophobicContact CG1-SD 4.26Å; V23-M268 HydrophobicContact CG2-SD 4.08Å | ||
| 24 | Q | 80.9 | Confident | 83.8 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | trans | -146.3 | 117.7 | 173.6 | -176 | 165.2 | -21.5 | 0 | 0 | 110.2 | T26 D96 | Q24-T26 HydrophobicContact CG-CG2 4.42Å; Q24-T26 WeakPolarHBondContact CG-OG1 3.34Å; Q24-T26 PolarHBondContact NE2-OG1 3.13Å; Q24-D96 WeakPolarHBondContact CA-OD2 3.22Å | ||
| 25 | T | 76.9 | Confident | 84.6 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | trans | -107.6 | -1.5 | 179.8 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | V23 D96 I1054 | V23-T25 HydrophobicContact CG1-CG2 4.25Å; T25-D96 WeakPolarHBondContact CB-OD1 3.17Å; T25-D96 WeakPolarHBondContact CG2-OD1 3.36Å; T25-D96 VanDerWaalsContact N-CG 3.35Å; T25-D96 PolarHBondContact N-OD1 2.96Å; T25-D96 VanDerWaalsContact N-OD1 3.16Å; T25-D96 PolarHBondContact N-OD2 3.19Å; T25-D96 PolarHBondContact OG1-OD1 3.07Å; T25-D96 PolarHBondContact OG1-OD2 2.87Å; T25-I1054 HydrophobicContact CG2-CG2 4.1Å | ||
| 26 | T | 80.7 | Confident | 84.8 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 14% | 0.141 | 40% | 0.396 | C | S | . | . | trans | -61.6 | 138.9 | 174.8 | 72.7 | 0 | 0 | 0 | 0 | 111.8 | Q24 Y28 D89 R92 | Q24-T26 HydrophobicContact CG-CG2 4.42Å; Q24-T26 WeakPolarHBondContact CG-OG1 3.34Å; Q24-T26 PolarHBondContact NE2-OG1 3.13Å; T26-Y28 VanDerWaalsContact C-N 3.28Å; T26-Y28 WeakPolarHBondContact CB-O 3.3Å; T26-Y28 PolarHBondContact OG1-O 2.93Å; T26-D89 VanDerWaalsContact CA-OD1 3.22Å; T26-D89 WeakPolarHBondContact CA-OD1 3.38Å; T26-D89 WeakPolarHBondContact CB-OD1 3.4Å; T26-D89 WeakPolarHBondContact CB-OD2 3.43Å; T26-R92 HydrophobicContact CG2-CB 4.27Å | ||
| 27 | K | 76 | Confident | 85.4 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 16% | 0.161 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -66.9 | -34.9 | 173.9 | -60.9 | 175.7 | -171.8 | 168.5 | 0 | 110.8 | E88 D89 H276 | K27-E88 WeakPolarHBondContact CE-OE1 3.37Å; K27-E88 IonicContact NZ-OE1 3.39Å; K27-E88 PolarHBondContact NZ-OE1 3.44Å; K27-E88 IonicContact NZ-OE2 3.38Å; K27-D89 PolarHBondContact N-OD1 2.92Å; K27-H276 PolarHBondContact NZ-NE2 2.94Å |
| 28 | Y | 83.5 | Confident | 85.6 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 7% | 0.071 | 35% | 0.345 | C | S | . | . | trans | -120.1 | 156.9 | -171.7 | -47 | -74.1 | 0 | 0 | 0 | 111.8 | T26 F33 K36 N37 D85 D89 | T26-Y28 VanDerWaalsContact C-N 3.28Å; T26-Y28 WeakPolarHBondContact CB-O 3.3Å; T26-Y28 PolarHBondContact OG1-O 2.93Å; Y28-F33 HydrophobicContact CD1-CD2 4.27Å; Y28-F33 AromaticContact CD2-CD2 3.6Å; Y28-F33 HydrophobicContact CD2-CD2 3.6Å; Y28-F33 AromaticContact CD2-CE2 3.97Å; Y28-F33 HydrophobicContact CD2-CE2 3.97Å; Y28-F33 HydrophobicContact CE2-CD2 4.12Å; Y28-F33 HydrophobicContact CE2-CE2 4.08Å; Y28-F33 HydrophobicContact CG-CB 4.5Å; Y28-F33 AromaticContact CG-CD2 3.69Å; Y28-F33 HydrophobicContact CG-CD2 3.69Å; Y28-F33 HydrophobicContact CG-CE2 4.46Å; Y28-K36 HydrophobicContact CD1-CB 4.04Å; Y28-K36 HydrophobicContact CD1-CD 4.41Å; Y28-K36 HydrophobicContact CE1-CB 3.93Å; Y28-N37 HydrophobicContact CE1-CB 4.27Å; Y28-N37 PolarHBondContact OH-ND2 3.02Å; Y28-D85 HydrophobicContact CE2-CB 4.37Å; Y28-D89 WeakPolarHBondContact CA-OD2 3.45Å; Y28-D89 WeakPolarHBondContact CB-OD2 3.49Å; Y28-D89 HydrophobicContact CD2-CB 4.07Å; Y28-D89 WeakPolarHBondContact CD2-OD2 3.19Å; Y28-D89 PolarHBondContact N-OD2 3.07Å | ||
| 29 | N | 84.4 | Confident | 85.8 | Confident | 88 Ų | 88 | 68 Ų | 68 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | trans | -116.9 | 154.1 | 159.5 | -175.2 | 16.2 | 0 | 0 | 0 | 107.7 | F31 T32 F33 | N29-F31 PolarHBondContact O-N 3.21Å; N29-F31 VanDerWaalsContact O-N 3.17Å; N29-T32 PolarHBondContact N-OG1 3.24Å; N29-T32 CarbonylContact O-C 3.6Å; N29-T32 WeakPolarHBondContact O-CA 3.46Å; N29-T32 PolarHBondContact O-N 3.4Å; N29-T32 PolarHBondContact O-OG1 3.06Å; N29-F33 PolarHBondContact O-N 3.26Å | ||
| 30 | V | 83.1 | Confident | 85.9 | Confident | 119 Ų | 119 | 64.8 Ų | 64.8 | 72% | 0.721 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -44.8 | -55.5 | -167.6 | -176.8 | 0 | 0 | 0 | 0 | 113.1 | T32 F33 | V30-T32 VanDerWaalsContact C-N 3.3Å; V30-T32 PolarHBondContact O-N 2.83Å; V30-F33 PolarHBondContact O-N 3.2Å |
| 31 | F | 86.6 | Confident | 85.9 | Confident | 184 Ų | 184 | 63.6 Ų | 63.6 | 81% | 0.807 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.8 | -25 | 179.6 | -52.9 | -72.3 | 0 | 0 | 0 | 114.5 | N29 | N29-F31 PolarHBondContact O-N 3.21Å; N29-F31 VanDerWaalsContact O-N 3.17Å |
| 32 | T | 89.3 | Confident | 85.6 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -94.7 | -7.1 | -178.6 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | N29 V30 K36 | N29-T32 PolarHBondContact N-OG1 3.24Å; N29-T32 CarbonylContact O-C 3.6Å; N29-T32 WeakPolarHBondContact O-CA 3.46Å; N29-T32 PolarHBondContact O-N 3.4Å; N29-T32 PolarHBondContact O-OG1 3.06Å; V30-T32 VanDerWaalsContact C-N 3.3Å; V30-T32 PolarHBondContact O-N 2.83Å; T32-K36 VanDerWaalsContact O-CB 3.32Å; T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 WeakPolarHBondContact O-CG 3.34Å; T32-K36 PolarHBondContact O-N 3.29Å |
| 33 | F | 90.3 | Very high | 85.2 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -62.5 | -178 | 172.3 | -100.3 | 0 | 0 | 0 | 110.6 | Y28 N29 V30 K36 N37 A82 D85 A86 | Y28-F33 HydrophobicContact CD1-CD2 4.27Å; Y28-F33 AromaticContact CD2-CD2 3.6Å; Y28-F33 HydrophobicContact CD2-CD2 3.6Å; Y28-F33 AromaticContact CD2-CE2 3.97Å; Y28-F33 HydrophobicContact CD2-CE2 3.97Å; Y28-F33 HydrophobicContact CE2-CD2 4.12Å; Y28-F33 HydrophobicContact CE2-CE2 4.08Å; Y28-F33 HydrophobicContact CG-CB 4.5Å; Y28-F33 AromaticContact CG-CD2 3.69Å; Y28-F33 HydrophobicContact CG-CD2 3.69Å; Y28-F33 HydrophobicContact CG-CE2 4.46Å; N29-F33 PolarHBondContact O-N 3.26Å; V30-F33 PolarHBondContact O-N 3.2Å; F33-K36 PolarHBondContact O-N 3.43Å; F33-N37 HydrophobicContact CE2-CB 4.29Å; F33-N37 HydrophobicContact CZ-CB 4.32Å; F33-N37 WeakPolarHBondContact O-CB 3.34Å; F33-N37 PolarHBondContact O-N 3.42Å; F33-A82 HydrophobicContact CE1-CB 4.32Å; F33-A82 HydrophobicContact CZ-CB 4.11Å; F33-A82 WeakPolarHBondContact CZ-O 3.3Å; F33-D85 HydrophobicContact CE2-CB 4.49Å; F33-A86 HydrophobicContact CE2-CB 3.99Å; F33-A86 HydrophobicContact CZ-CB 3.84Å |
| 34 | L | 89.7 | Confident | 85 | Confident | 104 Ų | 104 | 67.9 Ų | 67.9 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | -174.5 | -171.7 | 69.2 | 0 | 0 | 0 | 112.8 | L38 | L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.14Å; L34-L38 HydrophobicContact CG-CD1 3.89Å; L34-L38 HydrophobicContact CG-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CB 3.5Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.33Å |
| 35 | P | 91.7 | Very high | 85 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | -179 | -22.4 | 34.9 | 0 | 0 | 0 | 113.5 | F39 | P35-F39 WeakPolarHBondContact O-CB 3.48Å; P35-F39 PolarHBondContact O-N 3.02Å; P35-F39 VanDerWaalsContact O-N 3.09Å |
| 36 | K | 88.6 | Confident | 85.2 | Confident | 114 Ų | 114 | 66 Ų | 66 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 179.9 | -70.7 | -177.6 | 175.8 | 179.9 | 0 | 112.2 | Y28 T32 F33 F39 E40 | Y28-K36 HydrophobicContact CD1-CB 4.04Å; Y28-K36 HydrophobicContact CD1-CD 4.41Å; Y28-K36 HydrophobicContact CE1-CB 3.93Å; T32-K36 VanDerWaalsContact O-CB 3.32Å; T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 WeakPolarHBondContact O-CG 3.34Å; T32-K36 PolarHBondContact O-N 3.29Å; F33-K36 PolarHBondContact O-N 3.43Å; K36-F39 PolarHBondContact O-N 3.01Å; K36-E40 WeakPolarHBondContact O-CB 3.21Å; K36-E40 PolarHBondContact O-N 3.01Å |
| 37 | N | 89.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.8 | -47 | 179.8 | -168.1 | -105.8 | 0 | 0 | 0 | 110.4 | Y28 F33 F39 E40 Q41 D85 | Y28-N37 HydrophobicContact CE1-CB 4.27Å; Y28-N37 PolarHBondContact OH-ND2 3.02Å; F33-N37 HydrophobicContact CE2-CB 4.29Å; F33-N37 HydrophobicContact CZ-CB 4.32Å; F33-N37 WeakPolarHBondContact O-CB 3.34Å; F33-N37 PolarHBondContact O-N 3.42Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 2.96Å; N37-E40 PolarHBondContact O-N 2.89Å; N37-Q41 WeakPolarHBondContact O-CB 3.4Å; N37-Q41 VanDerWaalsContact O-CG 3.26Å; N37-Q41 WeakPolarHBondContact O-CG 3.49Å; N37-Q41 PolarHBondContact O-N 3.5Å; N37-Q41 PolarHBondContact OD1-NE2 2.94Å; N37-D85 PolarHBondContact ND2-OD2 3.05Å |
| 38 | L | 89 | Confident | 86.1 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 29% | 0.293 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 173.7 | -70.7 | 174.1 | 0 | 0 | 0 | 112.3 | L34 Q41 F42 L78 | L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.14Å; L34-L38 HydrophobicContact CG-CD1 3.89Å; L34-L38 HydrophobicContact CG-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CB 3.5Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.33Å; L38-Q41 PolarHBondContact O-N 3.44Å; L38-F42 HydrophobicContact CB-CD2 4.42Å; L38-F42 HydrophobicContact CD2-CE2 4.31Å; L38-F42 VanDerWaalsContact O-CD2 3.24Å; L38-F42 WeakPolarHBondContact O-CD2 3.44Å; L38-F42 PolarHBondContact O-N 3.14Å; L38-L78 HydrophobicContact CD2-CD1 4.39Å |
| 39 | F | 89.4 | Confident | 86.4 | Confident | 135 Ų | 135 | 67.9 Ų | 67.9 | 59% | 0.592 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.8 | -48.2 | 176.7 | -178.1 | -91 | 0 | 0 | 0 | 112.7 | P35 K36 N37 Q41 F42 H43 | P35-F39 WeakPolarHBondContact O-CB 3.48Å; P35-F39 PolarHBondContact O-N 3.02Å; P35-F39 VanDerWaalsContact O-N 3.09Å; K36-F39 PolarHBondContact O-N 3.01Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 2.96Å; F39-Q41 VanDerWaalsContact C-N 3.31Å; F39-Q41 PolarHBondContact O-N 3.17Å; F39-F42 PolarHBondContact O-N 2.86Å; F39-H43 AromaticContact CZ-CE1 3.76Å; F39-H43 PolarHBondContact O-N 3.35Å |
| 40 | E | 82.2 | Confident | 86.6 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.9 | -179.4 | 61.9 | -156.8 | 0 | 0 | 111.5 | K36 N37 H43 H276 R278 | K36-E40 WeakPolarHBondContact O-CB 3.21Å; K36-E40 PolarHBondContact O-N 3.01Å; N37-E40 PolarHBondContact O-N 2.89Å; E40-H43 WeakPolarHBondContact O-CB 3.42Å; E40-H43 PolarHBondContact O-N 2.86Å; E40-H276 VanDerWaalsContact CD-ND1 3.34Å; E40-H276 WeakPolarHBondContact CG-ND1 3.41Å; E40-H276 IonicContact OE1-CE1 3.52Å; E40-H276 IonicContact OE1-CG 3.16Å; E40-H276 IonicContact OE1-ND1 3.61Å; E40-H276 PolarHBondContact OE1-ND1 2.81Å; E40-R278 PolarHBondContact O-NH2 2.65Å; E40-R278 IonicContact OE1-CZ 3.91Å; E40-R278 VanDerWaalsContact OE1-CZ 3.25Å; E40-R278 IonicContact OE1-NE 2.66Å; E40-R278 PolarHBondContact OE1-NE 2.82Å; E40-R278 IonicContact OE1-NH2 3.89Å; E40-R278 PolarHBondContact OE1-NH2 2.74Å; E40-R278 IonicContact OE2-NH2 3.67Å; E40-R278 PolarHBondContact OE2-NH2 3.01Å |
| 41 | Q | 86.7 | Confident | 86.9 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 176.2 | -73.5 | -159.5 | 58 | 0 | 0 | 113.6 | N37 L38 F39 H43 R44 N47 L78 T81 | N37-Q41 WeakPolarHBondContact O-CB 3.4Å; N37-Q41 VanDerWaalsContact O-CG 3.26Å; N37-Q41 WeakPolarHBondContact O-CG 3.49Å; N37-Q41 PolarHBondContact O-N 3.5Å; N37-Q41 PolarHBondContact OD1-NE2 2.94Å; L38-Q41 PolarHBondContact O-N 3.44Å; F39-Q41 VanDerWaalsContact C-N 3.31Å; F39-Q41 PolarHBondContact O-N 3.17Å; Q41-H43 PolarHBondContact O-N 3.4Å; Q41-R44 WeakPolarHBondContact O-CB 3.2Å; Q41-R44 PolarHBondContact O-N 3.25Å; Q41-N47 PolarHBondContact O-ND2 3.27Å; Q41-L78 HydrophobicContact CB-CD2 4.16Å; Q41-L78 PolarHBondContact NE2-O 2.87Å; Q41-L78 VanDerWaalsContact NE2-O 3.13Å; Q41-L78 VanDerWaalsContact OE1-CD2 3.23Å; Q41-T81 PolarHBondContact NE2-OG1 2.84Å; Q41-T81 PolarHBondContact OE1-OG1 2.84Å |
| 42 | F | 86.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 57 Ų | 57 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.7 | -15.2 | 177.6 | -80.4 | -65 | 0 | 0 | 0 | 113.2 | L38 F39 R44 N47 L48 L51 L78 | L38-F42 HydrophobicContact CB-CD2 4.42Å; L38-F42 HydrophobicContact CD2-CE2 4.31Å; L38-F42 VanDerWaalsContact O-CD2 3.24Å; L38-F42 WeakPolarHBondContact O-CD2 3.44Å; L38-F42 PolarHBondContact O-N 3.14Å; F39-F42 PolarHBondContact O-N 2.86Å; F42-R44 PolarHBondContact O-N 3.31Å; F42-R44 VanDerWaalsContact O-N 3.15Å; F42-N47 HydrophobicContact CD1-CB 3.94Å; F42-N47 HydrophobicContact CE1-CB 4.23Å; F42-L48 WeakPolarHBondContact O-CD1 3.23Å; F42-L51 HydrophobicContact CD1-CD2 4.49Å; F42-L51 HydrophobicContact CE1-CB 4.41Å; F42-L51 HydrophobicContact CE1-CD2 3.93Å; F42-L51 HydrophobicContact CZ-CD2 4.41Å; F42-L78 HydrophobicContact CE2-CD1 4.32Å; F42-L78 HydrophobicContact CZ-CD1 3.82Å; F42-L78 HydrophobicContact CZ-CD2 4.48Å |
| 43 | H | 82 | Confident | 87.2 | Confident | 115 Ų | 115 | 55 Ų | 55 | 53% | 0.532 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 7.9 | 162.3 | -96.6 | 40.9 | 0 | 0 | 0 | 114 | F39 E40 Q41 R278 | F39-H43 AromaticContact CZ-CE1 3.76Å; F39-H43 PolarHBondContact O-N 3.35Å; E40-H43 WeakPolarHBondContact O-CB 3.42Å; E40-H43 PolarHBondContact O-N 2.86Å; Q41-H43 PolarHBondContact O-N 3.4Å; H43-R278 PolarHBondContact O-NH1 3.48Å |
| 44 | R | 78.4 | Confident | 87 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -95.6 | 118.5 | 161.9 | -70.2 | 178.2 | 161.8 | 164.4 | -3.7 | 108.9 | Q41 F42 A46 N47 E282 E361 | Q41-R44 WeakPolarHBondContact O-CB 3.2Å; Q41-R44 PolarHBondContact O-N 3.25Å; F42-R44 PolarHBondContact O-N 3.31Å; F42-R44 VanDerWaalsContact O-N 3.15Å; R44-A46 PolarHBondContact O-N 2.88Å; R44-A46 VanDerWaalsContact O-N 3.08Å; R44-N47 WeakPolarHBondContact O-CB 3.38Å; R44-N47 PolarHBondContact O-N 3.2Å; R44-E282 IonicContact CZ-OE1 3.51Å; R44-E282 IonicContact NE-OE1 2.74Å; R44-E282 PolarHBondContact NE-OE1 3.38Å; R44-E282 IonicContact NH2-OE1 2.7Å; R44-E282 PolarHBondContact NH2-OE1 2.92Å; R44-E361 IonicContact CZ-OE1 3.28Å; R44-E361 VanDerWaalsContact CZ-OE1 3.32Å; R44-E361 IonicContact NH1-OE1 3.79Å; R44-E361 PolarHBondContact NH1-OE1 2.98Å; R44-E361 IonicContact NH2-OE1 2.76Å; R44-E361 PolarHBondContact NH2-OE1 3.36Å |
| 45 | L | 80.7 | Confident | 87 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 43% | 0.429 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.2 | -34.1 | -175.5 | -71.4 | 175.8 | 0 | 0 | 0 | 114.1 | N47 L48 Y49 N286 L290 | L45-N47 VanDerWaalsContact C-N 3.34Å; L45-N47 PolarHBondContact O-N 2.87Å; L45-L48 WeakPolarHBondContact O-CB 3.16Å; L45-L48 PolarHBondContact O-N 2.86Å; L45-Y49 PolarHBondContact O-N 3.07Å; L45-N286 HydrophobicContact CD1-CB 4.4Å; L45-L290 HydrophobicContact CD1-CD1 4.22Å |
| 46 | A | 81.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R44 L48 Y49 F50 I289 Y357 | R44-A46 PolarHBondContact O-N 2.88Å; R44-A46 VanDerWaalsContact O-N 3.08Å; A46-L48 VanDerWaalsContact C-N 3.3Å; A46-L48 PolarHBondContact O-N 2.69Å; A46-Y49 WeakPolarHBondContact O-CB 3.41Å; A46-Y49 PolarHBondContact O-N 3.34Å; A46-Y49 VanDerWaalsContact O-N 3.17Å; A46-F50 HydrophobicContact CB-CD2 4.35Å; A46-F50 HydrophobicContact CB-CE2 3.79Å; A46-F50 WeakPolarHBondContact O-CD2 3.29Å; A46-F50 WeakPolarHBondContact O-CG 3.49Å; A46-F50 PolarHBondContact O-N 2.85Å; A46-I289 HydrophobicContact CB-CD1 4.15Å; A46-Y357 HydrophobicContact CB-CD2 4.3Å; A46-Y357 HydrophobicContact CB-CE2 3.34Å; A46-Y357 WeakPolarHBondContact CB-OH 3.27Å |
| 47 | N | 86.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -32.8 | 179.2 | -69.9 | -12.5 | 0 | 0 | 0 | 111.7 | Q41 F42 R44 L45 L51 | Q41-N47 PolarHBondContact O-ND2 3.27Å; F42-N47 HydrophobicContact CD1-CB 3.94Å; F42-N47 HydrophobicContact CE1-CB 4.23Å; R44-N47 WeakPolarHBondContact O-CB 3.38Å; R44-N47 PolarHBondContact O-N 3.2Å; L45-N47 VanDerWaalsContact C-N 3.34Å; L45-N47 PolarHBondContact O-N 2.87Å; N47-L51 VanDerWaalsContact O-CB 3.26Å; N47-L51 WeakPolarHBondContact O-CB 3.2Å; N47-L51 PolarHBondContact O-N 3.13Å; N47-L51 VanDerWaalsContact O-N 3.11Å |
| 48 | L | 88.4 | Confident | 86.6 | Confident | 89 Ų | 89 | 50.7 Ų | 50.7 | 47% | 0.466 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 170.2 | -79.9 | 160.7 | 0 | 0 | 0 | 111.8 | F42 L45 A46 L51 F52 | F42-L48 WeakPolarHBondContact O-CD1 3.23Å; L45-L48 WeakPolarHBondContact O-CB 3.16Å; L45-L48 PolarHBondContact O-N 2.86Å; A46-L48 VanDerWaalsContact C-N 3.3Å; A46-L48 PolarHBondContact O-N 2.69Å; L48-L51 PolarHBondContact O-N 3.23Å; L48-F52 WeakPolarHBondContact O-CB 3.41Å; L48-F52 PolarHBondContact O-N 3.07Å |
| 49 | Y | 89.6 | Confident | 86.5 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 175.8 | 166.1 | -94 | 0 | 0 | 0 | 112.3 | L45 A46 L51 F52 I53 V293 L296 Q349 I352 | L45-Y49 PolarHBondContact O-N 3.07Å; A46-Y49 WeakPolarHBondContact O-CB 3.41Å; A46-Y49 PolarHBondContact O-N 3.34Å; A46-Y49 VanDerWaalsContact O-N 3.17Å; Y49-L51 VanDerWaalsContact C-N 3.32Å; Y49-L51 PolarHBondContact O-N 2.87Å; Y49-F52 WeakPolarHBondContact O-CB 3.23Å; Y49-F52 PolarHBondContact O-N 3.42Å; Y49-F52 VanDerWaalsContact O-N 3.16Å; Y49-I53 HydrophobicContact CD1-CG1 4.48Å; Y49-I53 HydrophobicContact CD2-CG1 4.33Å; Y49-I53 HydrophobicContact CE1-CG1 4.09Å; Y49-I53 HydrophobicContact CE2-CD1 4.06Å; Y49-I53 HydrophobicContact CE2-CG1 3.94Å; Y49-I53 WeakPolarHBondContact O-CG1 3.41Å; Y49-I53 PolarHBondContact O-N 2.87Å; Y49-V293 HydrophobicContact CD2-CG2 4.27Å; Y49-L296 HydrophobicContact CE2-CD2 3.71Å; Y49-L296 VanDerWaalsContact OH-CD2 3.29Å; Y49-L296 WeakPolarHBondContact OH-CD2 3.39Å; Y49-Q349 WeakPolarHBondContact OH-CA 3.39Å; Y49-Q349 PolarHBondContact OH-O 3.06Å; Y49-I352 HydrophobicContact CD1-CB 4.19Å; Y49-I352 HydrophobicContact CD1-CD1 3.83Å; Y49-I352 HydrophobicContact CD1-CG1 4.41Å; Y49-I352 HydrophobicContact CD1-CG2 4.41Å; Y49-I352 HydrophobicContact CD2-CD1 3.91Å; Y49-I352 HydrophobicContact CE1-CB 3.77Å; Y49-I352 HydrophobicContact CE1-CD1 3.65Å; Y49-I352 HydrophobicContact CE1-CG1 3.89Å; Y49-I352 HydrophobicContact CE1-CG2 4.47Å; Y49-I352 HydrophobicContact CE2-CD1 3.72Å; Y49-I352 HydrophobicContact CG-CD1 3.95Å |
| 50 | F | 89.5 | Confident | 86.1 | Confident | 10 Ų | 10 | 51 Ų | 51 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -33 | 178.9 | -58.8 | -54.4 | 0 | 0 | 0 | 112.5 | A46 A54 L74 I352 I354 | A46-F50 HydrophobicContact CB-CD2 4.35Å; A46-F50 HydrophobicContact CB-CE2 3.79Å; A46-F50 WeakPolarHBondContact O-CD2 3.29Å; A46-F50 WeakPolarHBondContact O-CG 3.49Å; A46-F50 PolarHBondContact O-N 2.85Å; F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.15Å; F50-A54 PolarHBondContact O-N 2.69Å; F50-L74 HydrophobicContact CB-CD1 4.33Å; F50-I352 HydrophobicContact CE1-CB 4.19Å; F50-I352 HydrophobicContact CE1-CG2 4.38Å; F50-I352 VanDerWaalsContact CE1-O 3.25Å; F50-I352 WeakPolarHBondContact CE1-O 3.39Å; F50-I352 HydrophobicContact CZ-CB 4.06Å; F50-I352 HydrophobicContact CZ-CG2 3.79Å; F50-I352 WeakPolarHBondContact CZ-O 3.46Å; F50-I354 HydrophobicContact CD1-CD1 3.76Å; F50-I354 HydrophobicContact CD1-CG1 3.48Å; F50-I354 VanDerWaalsContact CD1-CG1 3.48Å; F50-I354 HydrophobicContact CD2-CG1 3.87Å; F50-I354 HydrophobicContact CE1-CB 4.45Å; F50-I354 HydrophobicContact CE1-CD1 3.96Å; F50-I354 HydrophobicContact CE1-CG1 3.21Å; F50-I354 HydrophobicContact CE2-CB 4.28Å; F50-I354 HydrophobicContact CE2-CG1 3.64Å; F50-I354 HydrophobicContact CG-CD1 4.13Å; F50-I354 HydrophobicContact CG-CG1 3.82Å; F50-I354 HydrophobicContact CZ-CB 4.16Å; F50-I354 HydrophobicContact CZ-CD1 4.47Å; F50-I354 HydrophobicContact CZ-CG1 3.33Å |
| 51 | L | 90 | Very high | 86 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 171.2 | -177.4 | 64.4 | 0 | 0 | 0 | 111.5 | F42 N47 L48 Y49 A54 F55 F71 L74 | F42-L51 HydrophobicContact CD1-CD2 4.49Å; F42-L51 HydrophobicContact CE1-CB 4.41Å; F42-L51 HydrophobicContact CE1-CD2 3.93Å; F42-L51 HydrophobicContact CZ-CD2 4.41Å; N47-L51 VanDerWaalsContact O-CB 3.26Å; N47-L51 WeakPolarHBondContact O-CB 3.2Å; N47-L51 PolarHBondContact O-N 3.13Å; N47-L51 VanDerWaalsContact O-N 3.11Å; L48-L51 PolarHBondContact O-N 3.23Å; Y49-L51 VanDerWaalsContact C-N 3.32Å; Y49-L51 PolarHBondContact O-N 2.87Å; L51-A54 PolarHBondContact O-N 3.18Å; L51-F55 HydrophobicContact CD1-CD2 4.11Å; L51-F55 HydrophobicContact CD1-CE2 3.6Å; L51-F55 HydrophobicContact CD1-CZ 4.33Å; L51-F55 HydrophobicContact CD2-CE2 4.34Å; L51-F55 HydrophobicContact CG-CD2 4.02Å; L51-F55 HydrophobicContact CG-CE2 3.74Å; L51-F55 WeakPolarHBondContact O-CD2 3.21Å; L51-F55 PolarHBondContact O-N 3.34Å; L51-F71 HydrophobicContact CD1-CE1 4.08Å; L51-L74 HydrophobicContact CB-CD2 4.01Å; L51-L74 HydrophobicContact CD1-CD2 4.06Å |
| 52 | F | 90.9 | Very high | 85.7 | Confident | 107 Ų | 107 | 55 Ų | 55 | 47% | 0.469 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 175.9 | 174.9 | -108 | 0 | 0 | 0 | 112.6 | L48 Y49 A54 F55 L56 W342 | L48-F52 WeakPolarHBondContact O-CB 3.41Å; L48-F52 PolarHBondContact O-N 3.07Å; Y49-F52 WeakPolarHBondContact O-CB 3.23Å; Y49-F52 PolarHBondContact O-N 3.42Å; Y49-F52 VanDerWaalsContact O-N 3.16Å; F52-A54 VanDerWaalsContact C-N 3.34Å; F52-A54 PolarHBondContact O-N 2.92Å; F52-F55 PolarHBondContact O-N 3.06Å; F52-L56 HydrophobicContact CD1-CD1 3.96Å; F52-L56 HydrophobicContact CE1-CD1 3.42Å; F52-L56 VanDerWaalsContact CE1-CD1 3.42Å; F52-L56 HydrophobicContact CE1-CG 4.21Å; F52-L56 HydrophobicContact CE2-CD1 4.4Å; F52-L56 HydrophobicContact CE2-CG 4.35Å; F52-L56 HydrophobicContact CZ-CD1 3.68Å; F52-L56 HydrophobicContact CZ-CD2 4.35Å; F52-L56 HydrophobicContact CZ-CG 4.07Å; F52-L56 PolarHBondContact O-N 2.95Å; F52-W342 HydrophobicContact CE1-CZ3 4.2Å; F52-W342 HydrophobicContact CZ-CH2 4.32Å; F52-W342 AromaticContact CZ-CZ3 3.92Å; F52-W342 HydrophobicContact CZ-CZ3 3.92Å |
| 53 | I | 89.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 175.5 | -61.5 | -70.4 | 0 | 0 | 0 | 111.3 | Y49 F55 L56 N57 Q349 | Y49-I53 HydrophobicContact CD1-CG1 4.48Å; Y49-I53 HydrophobicContact CD2-CG1 4.33Å; Y49-I53 HydrophobicContact CE1-CG1 4.09Å; Y49-I53 HydrophobicContact CE2-CD1 4.06Å; Y49-I53 HydrophobicContact CE2-CG1 3.94Å; Y49-I53 WeakPolarHBondContact O-CG1 3.41Å; Y49-I53 PolarHBondContact O-N 2.87Å; I53-F55 VanDerWaalsContact C-N 3.31Å; I53-F55 PolarHBondContact O-N 3.1Å; I53-L56 HydrophobicContact CD1-CD1 4.26Å; I53-L56 PolarHBondContact O-N 3.04Å; I53-N57 PolarHBondContact O-N 3.36Å; I53-Q349 HydrophobicContact CG2-CB 4.05Å |
| 54 | A | 87.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F50 L51 F52 F71 | F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.15Å; F50-A54 PolarHBondContact O-N 2.69Å; L51-A54 PolarHBondContact O-N 3.18Å; F52-A54 VanDerWaalsContact C-N 3.34Å; F52-A54 PolarHBondContact O-N 2.92Å; A54-F71 HydrophobicContact CB-CD1 4.04Å; A54-F71 HydrophobicContact CB-CD2 3.99Å; A54-F71 HydrophobicContact CB-CE1 3.81Å; A54-F71 HydrophobicContact CB-CE2 3.75Å; A54-F71 HydrophobicContact CB-CG 4.13Å; A54-F71 HydrophobicContact CB-CZ 3.66Å; A54-F71 WeakPolarHBondContact O-CE2 3.44Å |
| 55 | F | 89.9 | Confident | 84.5 | Confident | 114 Ų | 114 | 54.1 Ų | 54.1 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.7 | -36.2 | 169.3 | -78.4 | -58.9 | 0 | 0 | 0 | 113.2 | L51 F52 I53 N57 W58 F71 | L51-F55 HydrophobicContact CD1-CD2 4.11Å; L51-F55 HydrophobicContact CD1-CE2 3.6Å; L51-F55 HydrophobicContact CD1-CZ 4.33Å; L51-F55 HydrophobicContact CD2-CE2 4.34Å; L51-F55 HydrophobicContact CG-CD2 4.02Å; L51-F55 HydrophobicContact CG-CE2 3.74Å; L51-F55 WeakPolarHBondContact O-CD2 3.21Å; L51-F55 PolarHBondContact O-N 3.34Å; F52-F55 PolarHBondContact O-N 3.06Å; I53-F55 VanDerWaalsContact C-N 3.31Å; I53-F55 PolarHBondContact O-N 3.1Å; F55-N57 PolarHBondContact O-N 3.41Å; F55-W58 VanDerWaalsContact O-CB 3.26Å; F55-W58 WeakPolarHBondContact O-CB 3.36Å; F55-W58 PolarHBondContact O-N 3.34Å; F55-W58 VanDerWaalsContact O-N 3.1Å; F55-F71 HydrophobicContact CD1-CZ 4.23Å; F55-F71 HydrophobicContact CE1-CZ 4.27Å |
| 56 | L | 88.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.8 | -80.2 | 173.5 | 0 | 0 | 0 | 112 | F52 I53 W58 F59 W342 I346 | F52-L56 HydrophobicContact CD1-CD1 3.96Å; F52-L56 HydrophobicContact CE1-CD1 3.42Å; F52-L56 VanDerWaalsContact CE1-CD1 3.42Å; F52-L56 HydrophobicContact CE1-CG 4.21Å; F52-L56 HydrophobicContact CE2-CD1 4.4Å; F52-L56 HydrophobicContact CE2-CG 4.35Å; F52-L56 HydrophobicContact CZ-CD1 3.68Å; F52-L56 HydrophobicContact CZ-CD2 4.35Å; F52-L56 HydrophobicContact CZ-CG 4.07Å; F52-L56 PolarHBondContact O-N 2.95Å; I53-L56 HydrophobicContact CD1-CD1 4.26Å; I53-L56 PolarHBondContact O-N 3.04Å; L56-W58 PolarHBondContact O-N 2.9Å; L56-F59 PolarHBondContact O-N 3.4Å; L56-F59 VanDerWaalsContact O-N 3.1Å; L56-W342 HydrophobicContact CD1-CE3 3.67Å; L56-W342 HydrophobicContact CD1-CZ3 3.89Å; L56-W342 HydrophobicContact CD2-CD2 4.3Å; L56-W342 HydrophobicContact CD2-CE3 3.87Å; L56-W342 HydrophobicContact CD2-CZ3 4.24Å; L56-W342 HydrophobicContact CG-CE3 4.46Å; L56-I346 HydrophobicContact CB-CD1 4.39Å |
| 57 | N | 86.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 5.1 | 176 | -170.8 | 85 | 0 | 0 | 0 | 113.6 | I53 F55 A64 Y65 I346 | I53-N57 PolarHBondContact O-N 3.36Å; F55-N57 PolarHBondContact O-N 3.41Å; N57-A64 PolarHBondContact OD1-N 2.87Å; N57-Y65 PolarHBondContact ND2-O 3.24Å; N57-Y65 PolarHBondContact OD1-N 3.1Å; N57-I346 HydrophobicContact CB-CD1 4.13Å |
| 58 | W | 86.2 | Confident | 83.8 | Confident | 118 Ų | 118 | 64 Ų | 64 | 45% | 0.447 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -17.5 | 169 | -158.8 | -76.4 | 0 | 0 | 0 | 112.7 | F55 L56 P60 R67 F68 F71 | F55-W58 VanDerWaalsContact O-CB 3.26Å; F55-W58 WeakPolarHBondContact O-CB 3.36Å; F55-W58 PolarHBondContact O-N 3.34Å; F55-W58 VanDerWaalsContact O-N 3.1Å; L56-W58 PolarHBondContact O-N 2.9Å; W58-P60 WeakPolarHBondContact O-CD 3.45Å; W58-R67 HydrophobicContact CD2-CB 4.31Å; W58-R67 HydrophobicContact CE3-CB 4.01Å; W58-R67 HydrophobicContact CZ3-CB 4.34Å; W58-F68 HydrophobicContact CH2-CE1 4.03Å; W58-F68 HydrophobicContact CH2-CZ 4.38Å; W58-F68 HydrophobicContact CZ3-CE1 4.37Å; W58-F71 HydrophobicContact CE3-CE2 4.02Å; W58-F71 HydrophobicContact CZ3-CE2 4.23Å |
| 59 | F | 86.6 | Confident | 83.5 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 50% | 0.504 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -75.8 | 119 | 178.9 | -73.4 | -88.8 | 0 | 0 | 0 | 110.6 | L56 Q61 I62 E63 | L56-F59 PolarHBondContact O-N 3.4Å; L56-F59 VanDerWaalsContact O-N 3.1Å; F59-Q61 VanDerWaalsContact C-N 3.26Å; F59-Q61 PolarHBondContact O-N 2.85Å; F59-Q61 VanDerWaalsContact O-N 3.15Å; F59-I62 HydrophobicContact CB-CD1 4.11Å; F59-I62 HydrophobicContact CB-CG1 4.15Å; F59-I62 CarbonylContact O-C 3.44Å; F59-I62 PolarHBondContact O-N 2.98Å; F59-E63 PolarHBondContact O-N 3.09Å |
| 60 | P | 81.4 | Confident | 83 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -60 | -30.1 | -171.7 | -26.9 | 36 | 0 | 0 | 0 | 115 | W58 I62 | W58-P60 WeakPolarHBondContact O-CD 3.45Å; P60-I62 PolarHBondContact O-N 3.17Å |
| 61 | Q | 79.4 | Confident | 82.9 | Confident | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -71.5 | -4.5 | 177.7 | -55.2 | 90 | -22.4 | 0 | 0 | 113.7 | F59 L339 | F59-Q61 VanDerWaalsContact C-N 3.26Å; F59-Q61 PolarHBondContact O-N 2.85Å; F59-Q61 VanDerWaalsContact O-N 3.15Å; Q61-L339 HydrophobicContact CB-CD1 4.25Å; Q61-L339 HydrophobicContact CB-CD2 3.91Å |
| 62 | I | 81.1 | Confident | 82.8 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -140.7 | 14.5 | -171.7 | -25.5 | 175.6 | 0 | 0 | 0 | 110.9 | F59 P60 A64 L339 W342 A343 I346 | F59-I62 HydrophobicContact CB-CD1 4.11Å; F59-I62 HydrophobicContact CB-CG1 4.15Å; F59-I62 CarbonylContact O-C 3.44Å; F59-I62 PolarHBondContact O-N 2.98Å; P60-I62 PolarHBondContact O-N 3.17Å; I62-A64 PolarHBondContact O-N 3.32Å; I62-A64 VanDerWaalsContact O-N 3.15Å; I62-L339 HydrophobicContact CD1-CD2 4.49Å; I62-L339 HydrophobicContact CG1-CD2 4.2Å; I62-W342 HydrophobicContact CD1-CB 3.82Å; I62-W342 HydrophobicContact CD1-CG 4.25Å; I62-W342 HydrophobicContact CG2-CB 3.79Å; I62-A343 HydrophobicContact CG2-CB 4.17Å; I62-I346 HydrophobicContact CG2-CD1 3.98Å; I62-I346 VanDerWaalsContact O-CD1 3.31Å; I62-I346 WeakPolarHBondContact O-CD1 3.23Å |
| 63 | E | 78.1 | Confident | 82.5 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | trans | -76.1 | 101.7 | -176.1 | -175.4 | 169.9 | -178 | 0 | 0 | 110.9 | F59 Y65 G66 R67 | F59-E63 PolarHBondContact O-N 3.09Å; E63-Y65 WeakPolarHBondContact CG-O 3.41Å; E63-G66 WeakPolarHBondContact OE1-CA 3.49Å; E63-R67 WeakPolarHBondContact OE1-CG 2.97Å; E63-R67 PolarHBondContact OE1-N 2.86Å; E63-R67 IonicContact OE1-NE 2.75Å; E63-R67 IonicContact OE2-CZ 3.4Å; E63-R67 IonicContact OE2-NE 3.61Å; E63-R67 PolarHBondContact OE2-NE 2.82Å; E63-R67 IonicContact OE2-NH2 2.92Å; E63-R67 PolarHBondContact OE2-NH2 3.12Å | ||
| 64 | A | 71.5 | Confident | 82.4 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -87.2 | -28.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N57 I62 I346 | N57-A64 PolarHBondContact OD1-N 2.87Å; I62-A64 PolarHBondContact O-N 3.32Å; I62-A64 VanDerWaalsContact O-N 3.15Å; A64-I346 HydrophobicContact CB-CG2 3.82Å |
| 65 | Y | 71.7 | Confident | 82.5 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -140.9 | 150.9 | 177.4 | -42.5 | -73.2 | 0 | 0 | 0 | 109.6 | N57 E63 R67 I346 P1116 Q1119 | N57-Y65 PolarHBondContact ND2-O 3.24Å; N57-Y65 PolarHBondContact OD1-N 3.1Å; E63-Y65 WeakPolarHBondContact CG-O 3.41Å; Y65-R67 PolarHBondContact O-N 2.82Å; Y65-I346 HydrophobicContact CE2-CG2 4.19Å; Y65-P1116 HydrophobicContact CD1-CB 4.49Å; Y65-P1116 HydrophobicContact CE1-CB 3.9Å; Y65-P1116 HydrophobicContact CE1-CG 4.12Å; Y65-Q1119 PolarHBondContact OH-OE1 3.47Å; Y65-Q1119 VanDerWaalsContact OH-OE1 3.05Å |
| 66 | G | 73.1 | Confident | 82.5 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | trans | -52.3 | 123 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E63 F68 L69 | E63-G66 WeakPolarHBondContact OE1-CA 3.49Å; G66-F68 VanDerWaalsContact C-N 3.29Å; G66-F68 PolarHBondContact O-N 3.46Å; G66-L69 WeakPolarHBondContact O-CB 3.1Å; G66-L69 WeakPolarHBondContact O-CG 3.44Å; G66-L69 PolarHBondContact O-N 2.94Å | ||
| 67 | R | 79.2 | Confident | 82.4 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 36% | 0.362 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -32.4 | -47.3 | -166.6 | -46.7 | -170.5 | -177.7 | 140.7 | 11.9 | 117.2 | W58 E63 Y65 L69 | W58-R67 HydrophobicContact CD2-CB 4.31Å; W58-R67 HydrophobicContact CE3-CB 4.01Å; W58-R67 HydrophobicContact CZ3-CB 4.34Å; E63-R67 WeakPolarHBondContact OE1-CG 2.97Å; E63-R67 PolarHBondContact OE1-N 2.86Å; E63-R67 IonicContact OE1-NE 2.75Å; E63-R67 IonicContact OE2-CZ 3.4Å; E63-R67 IonicContact OE2-NE 3.61Å; E63-R67 PolarHBondContact OE2-NE 2.82Å; E63-R67 IonicContact OE2-NH2 2.92Å; E63-R67 PolarHBondContact OE2-NH2 3.12Å; Y65-R67 PolarHBondContact O-N 2.82Å; R67-L69 PolarHBondContact O-N 3.33Å |
| 68 | F | 81.7 | Confident | 82.6 | Confident | 159 Ų | 159 | 74.4 Ų | 74.4 | 70% | 0.697 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27.6 | -177.4 | -63.2 | -73.2 | 0 | 0 | 0 | 114.3 | W58 G66 G70 F71 | W58-F68 HydrophobicContact CH2-CE1 4.03Å; W58-F68 HydrophobicContact CH2-CZ 4.38Å; W58-F68 HydrophobicContact CZ3-CE1 4.37Å; G66-F68 VanDerWaalsContact C-N 3.29Å; G66-F68 PolarHBondContact O-N 3.46Å; F68-G70 VanDerWaalsContact C-N 3.31Å; F68-G70 PolarHBondContact O-N 2.77Å; F68-F71 PolarHBondContact O-N 2.58Å |
| 69 | L | 81.1 | Confident | 82.8 | Confident | 104 Ų | 104 | 70.7 Ų | 70.7 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -36.4 | -176.2 | -63.2 | 174.2 | 0 | 0 | 0 | 112 | G66 R67 F71 I72 P73 | G66-L69 WeakPolarHBondContact O-CB 3.1Å; G66-L69 WeakPolarHBondContact O-CG 3.44Å; G66-L69 PolarHBondContact O-N 2.94Å; R67-L69 PolarHBondContact O-N 3.33Å; L69-F71 PolarHBondContact O-N 2.72Å; L69-I72 HydrophobicContact CD2-CD1 3.89Å; L69-I72 PolarHBondContact O-N 3.33Å; L69-I72 VanDerWaalsContact O-N 3.12Å; L69-P73 VanDerWaalsContact O-CD 3.27Å; L69-P73 WeakPolarHBondContact O-CD 3.26Å |
| 70 | G | 78.7 | Confident | 82.9 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F68 | F68-G70 VanDerWaalsContact C-N 3.31Å; F68-G70 PolarHBondContact O-N 2.77Å |
| 71 | F | 87.4 | Confident | 83 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 24% | 0.237 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -84.4 | -20.1 | 177.4 | -75.4 | -89.7 | 0 | 0 | 0 | 113.8 | L51 A54 F55 W58 F68 L69 L74 F75 | L51-F71 HydrophobicContact CD1-CE1 4.08Å; A54-F71 HydrophobicContact CB-CD1 4.04Å; A54-F71 HydrophobicContact CB-CD2 3.99Å; A54-F71 HydrophobicContact CB-CE1 3.81Å; A54-F71 HydrophobicContact CB-CE2 3.75Å; A54-F71 HydrophobicContact CB-CG 4.13Å; A54-F71 HydrophobicContact CB-CZ 3.66Å; A54-F71 WeakPolarHBondContact O-CE2 3.44Å; F55-F71 HydrophobicContact CD1-CZ 4.23Å; F55-F71 HydrophobicContact CE1-CZ 4.27Å; W58-F71 HydrophobicContact CE3-CE2 4.02Å; W58-F71 HydrophobicContact CZ3-CE2 4.23Å; F68-F71 PolarHBondContact O-N 2.58Å; L69-F71 PolarHBondContact O-N 2.72Å; F71-L74 PolarHBondContact O-N 3.46Å; F71-F75 WeakPolarHBondContact O-CB 3.45Å; F71-F75 PolarHBondContact O-N 2.97Å |
| 72 | I | 87.9 | Confident | 83.5 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | -175 | -61.6 | 176.8 | 0 | 0 | 0 | 112.2 | L69 L74 F75 F76 | L69-I72 HydrophobicContact CD2-CD1 3.89Å; L69-I72 PolarHBondContact O-N 3.33Å; L69-I72 VanDerWaalsContact O-N 3.12Å; I72-L74 PolarHBondContact O-N 2.86Å; I72-F75 PolarHBondContact O-N 3.04Å; I72-F76 WeakPolarHBondContact O-CB 3.3Å; I72-F76 PolarHBondContact O-N 3.34Å |
| 73 | P | 85.2 | Confident | 84 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -43 | 177.9 | -24.4 | 35.5 | 0 | 0 | 0 | 112.5 | L69 F76 V77 I354 | L69-P73 VanDerWaalsContact O-CD 3.27Å; L69-P73 WeakPolarHBondContact O-CD 3.26Å; P73-F76 PolarHBondContact O-N 2.88Å; P73-V77 WeakPolarHBondContact O-CG2 3.41Å; P73-V77 PolarHBondContact O-N 2.98Å; P73-I354 HydrophobicContact CB-CD1 3.71Å; P73-I354 HydrophobicContact CB-CG2 4.11Å; P73-I354 HydrophobicContact CG-CD1 4.5Å |
| 74 | L | 88 | Confident | 84.4 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 178.3 | 178.5 | 59.8 | 0 | 0 | 0 | 111 | F50 L51 F71 I72 F76 V77 L78 | F50-L74 HydrophobicContact CB-CD1 4.33Å; L51-L74 HydrophobicContact CB-CD2 4.01Å; L51-L74 HydrophobicContact CD1-CD2 4.06Å; F71-L74 PolarHBondContact O-N 3.46Å; I72-L74 PolarHBondContact O-N 2.86Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 3.49Å; L74-V77 PolarHBondContact O-N 3.12Å; L74-L78 HydrophobicContact CD1-CD1 4.02Å; L74-L78 HydrophobicContact CD1-CD2 4.43Å; L74-L78 HydrophobicContact CD1-CG 4.04Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.37Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.49Å; L74-L78 PolarHBondContact O-N 2.86Å |
| 75 | F | 90 | Very high | 84.9 | Confident | 146 Ų | 146 | 58.1 Ų | 58.1 | 64% | 0.64 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.3 | -38.6 | 177.7 | -175.9 | -96.5 | 0 | 0 | 0 | 112.2 | F71 I72 S79 | F71-F75 WeakPolarHBondContact O-CB 3.45Å; F71-F75 PolarHBondContact O-N 2.97Å; I72-F75 PolarHBondContact O-N 3.04Å; F75-S79 WeakPolarHBondContact CE1-OG 3.08Å; F75-S79 VanDerWaalsContact O-CB 3.23Å; F75-S79 WeakPolarHBondContact O-CB 3.41Å; F75-S79 PolarHBondContact O-N 3.11Å; F75-S79 PolarHBondContact O-OG 2.87Å |
| 76 | F | 89.7 | Confident | 85.7 | Confident | 123 Ų | 123 | 57.4 Ų | 57.4 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 174.7 | -179.1 | -99.1 | 0 | 0 | 0 | 112.3 | I72 P73 L74 S79 V80 V358 | I72-F76 WeakPolarHBondContact O-CB 3.3Å; I72-F76 PolarHBondContact O-N 3.34Å; P73-F76 PolarHBondContact O-N 2.88Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 3.49Å; F76-S79 PolarHBondContact O-N 2.84Å; F76-V80 HydrophobicContact CD1-CG2 4.38Å; F76-V80 HydrophobicContact CD2-CG2 4.43Å; F76-V80 HydrophobicContact CE1-CG2 4.01Å; F76-V80 HydrophobicContact CE2-CG2 4.05Å; F76-V80 HydrophobicContact CZ-CG2 3.83Å; F76-V80 WeakPolarHBondContact O-CG2 3.5Å; F76-V80 PolarHBondContact O-N 3.13Å; F76-V358 HydrophobicContact CD1-CG2 4.44Å; F76-V358 HydrophobicContact CE1-CG1 4.33Å; F76-V358 HydrophobicContact CE1-CG2 4.33Å |
| 77 | V | 87.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 111 | P73 L74 S79 V80 T81 I354 V358 | P73-V77 WeakPolarHBondContact O-CG2 3.41Å; P73-V77 PolarHBondContact O-N 2.98Å; L74-V77 PolarHBondContact O-N 3.12Å; V77-S79 PolarHBondContact O-N 3.07Å; V77-V80 PolarHBondContact O-N 3.1Å; V77-T81 PolarHBondContact O-N 3.3Å; V77-T81 VanDerWaalsContact O-N 3.14Å; V77-T81 PolarHBondContact O-OG1 2.94Å; V77-I354 HydrophobicContact CG2-CG2 3.36Å; V77-V358 HydrophobicContact CB-CG2 4.11Å; V77-V358 HydrophobicContact CG1-CG2 4.04Å; V77-V358 HydrophobicContact CG2-CG2 3.64Å |
| 78 | L | 89.5 | Confident | 86.6 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 179.9 | -64.6 | 175.5 | 0 | 0 | 0 | 112.3 | L38 Q41 F42 L74 T81 A82 | L38-L78 HydrophobicContact CD2-CD1 4.39Å; Q41-L78 HydrophobicContact CB-CD2 4.16Å; Q41-L78 PolarHBondContact NE2-O 2.87Å; Q41-L78 VanDerWaalsContact NE2-O 3.13Å; Q41-L78 VanDerWaalsContact OE1-CD2 3.23Å; F42-L78 HydrophobicContact CE2-CD1 4.32Å; F42-L78 HydrophobicContact CZ-CD1 3.82Å; F42-L78 HydrophobicContact CZ-CD2 4.48Å; L74-L78 HydrophobicContact CD1-CD1 4.02Å; L74-L78 HydrophobicContact CD1-CD2 4.43Å; L74-L78 HydrophobicContact CD1-CG 4.04Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.37Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.49Å; L74-L78 PolarHBondContact O-N 2.86Å; L78-T81 WeakPolarHBondContact CA-OG1 3.44Å; L78-T81 PolarHBondContact O-OG1 2.67Å; L78-A82 WeakPolarHBondContact O-CB 3.38Å; L78-A82 PolarHBondContact O-N 3.05Å; L78-A82 VanDerWaalsContact O-N 3.09Å |
| 79 | S | 90.8 | Very high | 86.7 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.2 | -45.1 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | F75 F76 V77 T81 A82 V83 | F75-S79 WeakPolarHBondContact CE1-OG 3.08Å; F75-S79 VanDerWaalsContact O-CB 3.23Å; F75-S79 WeakPolarHBondContact O-CB 3.41Å; F75-S79 PolarHBondContact O-N 3.11Å; F75-S79 PolarHBondContact O-OG 2.87Å; F76-S79 PolarHBondContact O-N 2.84Å; V77-S79 PolarHBondContact O-N 3.07Å; S79-T81 PolarHBondContact O-N 2.93Å; S79-A82 PolarHBondContact O-N 2.93Å; S79-V83 WeakPolarHBondContact O-CG2 3.38Å; S79-V83 PolarHBondContact O-N 3.31Å |
| 80 | V | 88.2 | Confident | 87 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 26% | 0.261 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | F76 V77 V83 K84 V358 | F76-V80 HydrophobicContact CD1-CG2 4.38Å; F76-V80 HydrophobicContact CD2-CG2 4.43Å; F76-V80 HydrophobicContact CE1-CG2 4.01Å; F76-V80 HydrophobicContact CE2-CG2 4.05Å; F76-V80 HydrophobicContact CZ-CG2 3.83Å; F76-V80 WeakPolarHBondContact O-CG2 3.5Å; F76-V80 PolarHBondContact O-N 3.13Å; V77-V80 PolarHBondContact O-N 3.1Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-K84 PolarHBondContact O-N 2.92Å; V80-V358 HydrophobicContact CG1-CG1 4.3Å |
| 81 | T | 84.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 174.4 | 45.3 | 0 | 0 | 0 | 0 | 112.1 | Q41 V77 L78 S79 K84 D85 E361 | Q41-T81 PolarHBondContact NE2-OG1 2.84Å; Q41-T81 PolarHBondContact OE1-OG1 2.84Å; V77-T81 PolarHBondContact O-N 3.3Å; V77-T81 VanDerWaalsContact O-N 3.14Å; V77-T81 PolarHBondContact O-OG1 2.94Å; L78-T81 WeakPolarHBondContact CA-OG1 3.44Å; L78-T81 PolarHBondContact O-OG1 2.67Å; S79-T81 PolarHBondContact O-N 2.93Å; T81-K84 WeakPolarHBondContact O-CB 3.33Å; T81-K84 PolarHBondContact O-N 2.94Å; T81-D85 PolarHBondContact O-N 2.87Å; T81-E361 HydrophobicContact CG2-CG 4.22Å |
| 82 | A | 89.7 | Confident | 86.8 | Confident | 16 Ų | 16 | 55 Ų | 55 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | F33 L78 S79 K84 D85 A86 | F33-A82 HydrophobicContact CE1-CB 4.32Å; F33-A82 HydrophobicContact CZ-CB 4.11Å; F33-A82 WeakPolarHBondContact CZ-O 3.3Å; L78-A82 WeakPolarHBondContact O-CB 3.38Å; L78-A82 PolarHBondContact O-N 3.05Å; L78-A82 VanDerWaalsContact O-N 3.09Å; S79-A82 PolarHBondContact O-N 2.93Å; A82-K84 VanDerWaalsContact C-N 3.32Å; A82-K84 PolarHBondContact O-N 3.04Å; A82-D85 PolarHBondContact O-N 2.81Å; A82-A86 VanDerWaalsContact O-CB 3.31Å; A82-A86 WeakPolarHBondContact O-CB 3.31Å; A82-A86 PolarHBondContact O-N 2.91Å |
| 83 | V | 90.9 | Very high | 86.7 | Confident | 107 Ų | 107 | 56 Ų | 56 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.3 | -40.2 | 176 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | S79 V80 Y87 | S79-V83 WeakPolarHBondContact O-CG2 3.38Å; S79-V83 PolarHBondContact O-N 3.31Å; V80-V83 PolarHBondContact O-N 2.96Å; V83-Y87 PolarHBondContact O-N 3.28Å |
| 84 | K | 85.7 | Confident | 86.8 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 173.4 | -177.1 | -160.7 | -176.4 | -160.8 | 0 | 112 | V80 T81 A82 A86 Y87 E88 E361 I365 L391 N392 | V80-K84 PolarHBondContact O-N 2.92Å; T81-K84 WeakPolarHBondContact O-CB 3.33Å; T81-K84 PolarHBondContact O-N 2.94Å; A82-K84 VanDerWaalsContact C-N 3.32Å; A82-K84 PolarHBondContact O-N 3.04Å; K84-A86 VanDerWaalsContact C-N 3.34Å; K84-A86 PolarHBondContact O-N 2.94Å; K84-Y87 WeakPolarHBondContact O-CB 3.48Å; K84-Y87 PolarHBondContact O-N 2.92Å; K84-Y87 VanDerWaalsContact O-N 3.12Å; K84-E88 PolarHBondContact O-N 3.16Å; K84-E361 HydrophobicContact CD-CB 4.46Å; K84-E361 IonicContact NZ-OE2 2.72Å; K84-E361 PolarHBondContact NZ-OE2 2.72Å; K84-I365 HydrophobicContact CD-CD1 4.32Å; K84-I365 HydrophobicContact CG-CD1 4.13Å; K84-L391 HydrophobicContact CG-CD1 4.44Å; K84-L391 PolarHBondContact NZ-O 2.93Å; K84-N392 PolarHBondContact NZ-OD1 3.37Å |
| 85 | D | 83.6 | Confident | 86.3 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | -178.3 | -80.1 | -23.3 | 0 | 0 | 0 | 112 | Y28 F33 N37 T81 A82 Y87 E88 D89 | Y28-D85 HydrophobicContact CE2-CB 4.37Å; F33-D85 HydrophobicContact CE2-CB 4.49Å; N37-D85 PolarHBondContact ND2-OD2 3.05Å; T81-D85 PolarHBondContact O-N 2.87Å; A82-D85 PolarHBondContact O-N 2.81Å; D85-Y87 VanDerWaalsContact C-N 3.32Å; D85-Y87 PolarHBondContact O-N 2.95Å; D85-E88 PolarHBondContact O-N 3.36Å; D85-D89 WeakPolarHBondContact O-CB 3.23Å; D85-D89 PolarHBondContact O-N 2.81Å |
| 86 | A | 88.4 | Confident | 85.9 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 33% | 0.331 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -34.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F33 A82 K84 R90 | F33-A86 HydrophobicContact CE2-CB 3.99Å; F33-A86 HydrophobicContact CZ-CB 3.84Å; A82-A86 VanDerWaalsContact O-CB 3.31Å; A82-A86 WeakPolarHBondContact O-CB 3.31Å; A82-A86 PolarHBondContact O-N 2.91Å; K84-A86 VanDerWaalsContact C-N 3.34Å; K84-A86 PolarHBondContact O-N 2.94Å; A86-R90 WeakPolarHBondContact O-CB 3.15Å; A86-R90 PolarHBondContact O-N 2.96Å |
| 87 | Y | 87.8 | Confident | 85.9 | Confident | 140 Ų | 140 | 52.5 Ų | 52.5 | 55% | 0.549 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 173.3 | 178.2 | -94.7 | 0 | 0 | 0 | 112.3 | V83 K84 D85 R90 R91 L391 | V83-Y87 PolarHBondContact O-N 3.28Å; K84-Y87 WeakPolarHBondContact O-CB 3.48Å; K84-Y87 PolarHBondContact O-N 2.92Å; K84-Y87 VanDerWaalsContact O-N 3.12Å; D85-Y87 VanDerWaalsContact C-N 3.32Å; D85-Y87 PolarHBondContact O-N 2.95Å; Y87-R90 PolarHBondContact O-N 3.35Å; Y87-R91 HydrophobicContact CE1-CG 4.27Å; Y87-R91 PolarHBondContact O-N 2.94Å; Y87-R91 VanDerWaalsContact O-N 3.07Å; Y87-L391 HydrophobicContact CD1-CD1 4.22Å |
| 88 | E | 81.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 173.6 | -163.8 | -169.7 | 101.6 | 0 | 0 | 111.1 | K27 K84 D85 R90 R91 R92 L391 | K27-E88 WeakPolarHBondContact CE-OE1 3.37Å; K27-E88 IonicContact NZ-OE1 3.39Å; K27-E88 PolarHBondContact NZ-OE1 3.44Å; K27-E88 IonicContact NZ-OE2 3.38Å; K84-E88 PolarHBondContact O-N 3.16Å; D85-E88 PolarHBondContact O-N 3.36Å; E88-R90 VanDerWaalsContact C-N 3.35Å; E88-R90 PolarHBondContact O-N 3.47Å; E88-R91 WeakPolarHBondContact O-CB 3.45Å; E88-R91 PolarHBondContact O-N 2.91Å; E88-R92 PolarHBondContact O-N 3.36Å; E88-R92 VanDerWaalsContact O-N 3.16Å; E88-R92 IonicContact OE1-CZ 2.77Å; E88-R92 IonicContact OE1-NE 3.9Å; E88-R92 PolarHBondContact OE1-NE 3.47Å; E88-R92 IonicContact OE1-NH2 2.71Å; E88-R92 PolarHBondContact OE1-NH2 3.02Å; E88-L391 HydrophobicContact CB-CD1 4.49Å; E88-L391 PolarHBondContact OE2-N 3.5Å |
| 89 | D | 84.2 | Confident | 85.5 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.7 | -30.5 | -179.6 | -141 | 38.7 | 0 | 0 | 0 | 112.6 | T26 K27 Y28 D85 R92 Y93 | T26-D89 VanDerWaalsContact CA-OD1 3.22Å; T26-D89 WeakPolarHBondContact CA-OD1 3.38Å; T26-D89 WeakPolarHBondContact CB-OD1 3.4Å; T26-D89 WeakPolarHBondContact CB-OD2 3.43Å; K27-D89 PolarHBondContact N-OD1 2.92Å; Y28-D89 WeakPolarHBondContact CA-OD2 3.45Å; Y28-D89 WeakPolarHBondContact CB-OD2 3.49Å; Y28-D89 HydrophobicContact CD2-CB 4.07Å; Y28-D89 WeakPolarHBondContact CD2-OD2 3.19Å; Y28-D89 PolarHBondContact N-OD2 3.07Å; D85-D89 WeakPolarHBondContact O-CB 3.23Å; D85-D89 PolarHBondContact O-N 2.81Å; D89-R92 WeakPolarHBondContact O-CB 3.41Å; D89-R92 PolarHBondContact O-N 3.3Å; D89-R92 WeakPolarHBondContact OD1-CD 3.12Å; D89-Y93 WeakPolarHBondContact O-CB 3.35Å; D89-Y93 PolarHBondContact O-N 2.9Å |
| 90 | R | 87.7 | Confident | 85.5 | Confident | 172 Ų | 172 | 56.2 Ų | 56.2 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64 | -37.4 | 169.3 | -177.8 | 177.2 | 176.1 | -179.1 | -1.1 | 112.2 | A86 Y87 E88 Y93 L94 | A86-R90 WeakPolarHBondContact O-CB 3.15Å; A86-R90 PolarHBondContact O-N 2.96Å; Y87-R90 PolarHBondContact O-N 3.35Å; E88-R90 VanDerWaalsContact C-N 3.35Å; E88-R90 PolarHBondContact O-N 3.47Å; R90-Y93 PolarHBondContact O-N 2.84Å; R90-L94 WeakPolarHBondContact O-CG 3.5Å; R90-L94 PolarHBondContact O-N 2.84Å |
| 91 | R | 82.5 | Confident | 85.7 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 172.9 | -72.5 | 178.2 | 68.6 | -151.9 | 4.8 | 111 | Y87 E88 L94 M95 C388 | Y87-R91 HydrophobicContact CE1-CG 4.27Å; Y87-R91 PolarHBondContact O-N 2.94Å; Y87-R91 VanDerWaalsContact O-N 3.07Å; E88-R91 WeakPolarHBondContact O-CB 3.45Å; E88-R91 PolarHBondContact O-N 2.91Å; R91-L94 PolarHBondContact O-N 2.96Å; R91-M95 PolarHBondContact O-N 3.15Å; R91-C388 PolarHBondContact NH1-O 2.85Å; R91-C388 PolarHBondContact NH2-O 2.69Å |
| 92 | R | 79.6 | Confident | 85.8 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 174.9 | -63.3 | 169.3 | -174.5 | -99.9 | -2.8 | 111.3 | T26 E88 D89 L94 M95 D96 | T26-R92 HydrophobicContact CG2-CB 4.27Å; E88-R92 PolarHBondContact O-N 3.36Å; E88-R92 VanDerWaalsContact O-N 3.16Å; E88-R92 IonicContact OE1-CZ 2.77Å; E88-R92 IonicContact OE1-NE 3.9Å; E88-R92 PolarHBondContact OE1-NE 3.47Å; E88-R92 IonicContact OE1-NH2 2.71Å; E88-R92 PolarHBondContact OE1-NH2 3.02Å; D89-R92 WeakPolarHBondContact O-CB 3.41Å; D89-R92 PolarHBondContact O-N 3.3Å; D89-R92 WeakPolarHBondContact OD1-CD 3.12Å; R92-L94 VanDerWaalsContact C-N 3.31Å; R92-L94 PolarHBondContact O-N 2.85Å; R92-M95 PolarHBondContact O-N 3.39Å; R92-M95 VanDerWaalsContact O-N 3.11Å; R92-D96 PolarHBondContact O-N 3.41Å |
| 93 | Y | 85.6 | Confident | 86 | Confident | 126 Ų | 126 | 62.6 Ų | 62.6 | 49% | 0.494 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -37.2 | 177.5 | 173.3 | -112.3 | 0 | 0 | 0 | 113.7 | D89 R90 D96 K97 | D89-Y93 WeakPolarHBondContact O-CB 3.35Å; D89-Y93 PolarHBondContact O-N 2.9Å; R90-Y93 PolarHBondContact O-N 2.84Å; Y93-D96 PolarHBondContact O-N 3.44Å; Y93-K97 VanDerWaalsContact O-CB 3.3Å; Y93-K97 WeakPolarHBondContact O-CB 3.37Å; Y93-K97 PolarHBondContact O-N 3.06Å |
| 94 | L | 86.7 | Confident | 86 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 176.2 | -72.2 | 171.1 | 0 | 0 | 0 | 112 | R90 R91 R92 K97 T98 | R90-L94 WeakPolarHBondContact O-CG 3.5Å; R90-L94 PolarHBondContact O-N 2.84Å; R91-L94 PolarHBondContact O-N 2.96Å; R92-L94 VanDerWaalsContact C-N 3.31Å; R92-L94 PolarHBondContact O-N 2.85Å; L94-K97 PolarHBondContact O-N 3.05Å; L94-T98 PolarHBondContact O-N 2.66Å; L94-T98 PolarHBondContact O-OG1 2.74Å |
| 95 | M | 77.3 | Confident | 86.5 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 173.3 | -64.3 | -175.4 | 71.7 | 0 | 0 | 111.7 | R91 R92 K97 T98 I99 R389 I1054 | R91-M95 PolarHBondContact O-N 3.15Å; R92-M95 PolarHBondContact O-N 3.39Å; R92-M95 VanDerWaalsContact O-N 3.11Å; M95-K97 VanDerWaalsContact C-N 3.25Å; M95-K97 PolarHBondContact O-N 2.59Å; M95-T98 PolarHBondContact O-N 3.17Å; M95-T98 VanDerWaalsContact O-N 3.16Å; M95-I99 PolarHBondContact O-N 3.26Å; M95-R389 PolarHBondContact SD-NE 2.92Å; M95-R389 VanDerWaalsContact SD-NE 3.38Å; M95-R389 PolarHBondContact SD-NH2 3.41Å; M95-I1054 HydrophobicContact CE-CG1 3.86Å |
| 96 | D | 83.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.5 | -43.4 | 173.1 | -74 | -18.2 | 0 | 0 | 0 | 110.9 | Q24 T25 R92 Y93 T98 I99 N100 | Q24-D96 WeakPolarHBondContact CA-OD2 3.22Å; T25-D96 WeakPolarHBondContact CB-OD1 3.17Å; T25-D96 WeakPolarHBondContact CG2-OD1 3.36Å; T25-D96 VanDerWaalsContact N-CG 3.35Å; T25-D96 PolarHBondContact N-OD1 2.96Å; T25-D96 VanDerWaalsContact N-OD1 3.16Å; T25-D96 PolarHBondContact N-OD2 3.19Å; T25-D96 PolarHBondContact OG1-OD1 3.07Å; T25-D96 PolarHBondContact OG1-OD2 2.87Å; R92-D96 PolarHBondContact O-N 3.41Å; Y93-D96 PolarHBondContact O-N 3.44Å; D96-T98 VanDerWaalsContact C-N 3.34Å; D96-T98 PolarHBondContact O-N 2.56Å; D96-I99 PolarHBondContact O-N 3.19Å; D96-N100 VanDerWaalsContact O-CB 3.24Å; D96-N100 WeakPolarHBondContact O-CB 3.49Å; D96-N100 VanDerWaalsContact O-CG 3.29Å; D96-N100 PolarHBondContact O-N 3.14Å; D96-N100 PolarHBondContact O-ND2 2.92Å |
| 97 | K | 88.7 | Confident | 87.1 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | -180 | -176.7 | -180 | 176.1 | -173.4 | 0 | 112.1 | Y93 L94 M95 N101 | Y93-K97 VanDerWaalsContact O-CB 3.3Å; Y93-K97 WeakPolarHBondContact O-CB 3.37Å; Y93-K97 PolarHBondContact O-N 3.06Å; L94-K97 PolarHBondContact O-N 3.05Å; M95-K97 VanDerWaalsContact C-N 3.25Å; M95-K97 PolarHBondContact O-N 2.59Å; K97-N101 WeakPolarHBondContact O-CB 3.39Å; K97-N101 VanDerWaalsContact O-CG 3.29Å; K97-N101 PolarHBondContact O-N 3.27Å; K97-N101 PolarHBondContact O-ND2 3.05Å |
| 98 | T | 85.9 | Confident | 87 | Confident | 98 Ų | 98 | 53 Ų | 53 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.5 | -51.1 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L94 M95 D96 N100 N101 L102 | L94-T98 PolarHBondContact O-N 2.66Å; L94-T98 PolarHBondContact O-OG1 2.74Å; M95-T98 PolarHBondContact O-N 3.17Å; M95-T98 VanDerWaalsContact O-N 3.16Å; D96-T98 VanDerWaalsContact C-N 3.34Å; D96-T98 PolarHBondContact O-N 2.56Å; T98-N100 PolarHBondContact O-N 2.78Å; T98-N101 PolarHBondContact O-N 2.82Å; T98-L102 PolarHBondContact O-N 2.94Å |
| 99 | I | 82.7 | Confident | 87 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | -178.7 | -61.1 | 165.8 | 0 | 0 | 0 | 111.3 | M95 D96 N101 L102 W119 I1054 | M95-I99 PolarHBondContact O-N 3.26Å; D96-I99 PolarHBondContact O-N 3.19Å; I99-N101 PolarHBondContact O-N 3.09Å; I99-L102 WeakPolarHBondContact O-CB 3.41Å; I99-L102 WeakPolarHBondContact O-CG 3.42Å; I99-L102 PolarHBondContact O-N 3.49Å; I99-W119 HydrophobicContact CG2-CE3 4.33Å; I99-W119 HydrophobicContact CG2-CZ3 4.45Å; I99-I1054 HydrophobicContact CD1-CD1 3.56Å |
| 100 | N | 90.1 | Very high | 86.8 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.9 | -18.5 | 179.3 | -78.8 | -56.7 | 0 | 0 | 0 | 114 | K22 V23 D96 T98 K120 | K22-N100 VanDerWaalsContact CA-OD1 3.29Å; K22-N100 WeakPolarHBondContact CA-OD1 3.22Å; K22-N100 WeakPolarHBondContact CG-OD1 3.48Å; V23-N100 PolarHBondContact N-OD1 2.64Å; V23-N100 PolarHBondContact O-ND2 2.83Å; D96-N100 VanDerWaalsContact O-CB 3.24Å; D96-N100 WeakPolarHBondContact O-CB 3.49Å; D96-N100 VanDerWaalsContact O-CG 3.29Å; D96-N100 PolarHBondContact O-N 3.14Å; D96-N100 PolarHBondContact O-ND2 2.92Å; T98-N100 PolarHBondContact O-N 2.78Å; N100-K120 HydrophobicContact CB-CB 4.04Å; N100-K120 HydrophobicContact CB-CD 4.41Å; N100-K120 PolarHBondContact O-N 2.94Å |
| 101 | N | 92 | Very high | 86.6 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 5.6 | 178.6 | -73 | -21.4 | 0 | 0 | 0 | 113.6 | K97 T98 I99 L118 K120 | K97-N101 WeakPolarHBondContact O-CB 3.39Å; K97-N101 VanDerWaalsContact O-CG 3.29Å; K97-N101 PolarHBondContact O-N 3.27Å; K97-N101 PolarHBondContact O-ND2 3.05Å; T98-N101 PolarHBondContact O-N 2.82Å; I99-N101 PolarHBondContact O-N 3.09Å; N101-L118 WeakPolarHBondContact O-CD2 3.32Å; N101-K120 PolarHBondContact OD1-NZ 3.12Å |
| 102 | L | 88.6 | Confident | 86.7 | Confident | 80 Ų | 80 | 60 Ų | 60 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | trans | -58.9 | 153.1 | 163.1 | -65.4 | 174.1 | 0 | 0 | 0 | 109.9 | T98 I99 L118 W119 | T98-L102 PolarHBondContact O-N 2.94Å; I99-L102 WeakPolarHBondContact O-CB 3.41Å; I99-L102 WeakPolarHBondContact O-CG 3.42Å; I99-L102 PolarHBondContact O-N 3.49Å; L102-L118 CarbonylContact O-C 3.59Å; L102-L118 WeakPolarHBondContact O-CA 3.32Å; L102-W119 VanDerWaalsContact C-CD1 3.43Å; L102-W119 HydrophobicContact CB-CD2 3.73Å; L102-W119 HydrophobicContact CB-CE3 4.37Å; L102-W119 HydrophobicContact CB-CG 3.76Å; L102-W119 HydrophobicContact CB-CZ2 4.44Å; L102-W119 HydrophobicContact CD1-CD2 4.13Å; L102-W119 HydrophobicContact CD1-CE3 4.02Å; L102-W119 HydrophobicContact CD1-CH2 3.98Å; L102-W119 HydrophobicContact CD1-CZ2 4.06Å; L102-W119 HydrophobicContact CD1-CZ3 3.95Å; L102-W119 PolarHBondContact O-N 3.06Å | ||
| 103 | T | 92.2 | Very high | 87.1 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 152.1 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | T117 L118 W119 | T103-T117 CarbonylContact C-O 3.58Å; T103-T117 VanDerWaalsContact CA-O 3.29Å; T103-T117 WeakPolarHBondContact CA-O 3.37Å; T103-L118 HydrophobicContact CG2-CD2 3.98Å; T103-W119 PolarHBondContact O-NE1 3.04Å |
| 104 | C | 92.7 | Very high | 87.3 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 163.9 | 163.6 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | T117 V122 P137 | C104-T117 PolarHBondContact N-O 2.96Å; C104-T117 PolarHBondContact O-N 2.83Å; C104-V122 VanDerWaalsContact SG-CG2 3.5Å; C104-P137 HydrophobicContact CB-CG 4.14Å |
| 105 | N | 94.3 | Very high | 87.5 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.2 | -179 | -57.2 | -59.3 | 0 | 0 | 0 | 110.5 | Y114 K116 I128 R129 | N105-Y114 HydrophobicContact CB-CD1 4.42Å; N105-K116 WeakPolarHBondContact OD1-CG 3.45Å; N105-I128 CarbonylContact O-C 3.5Å; N105-I128 VanDerWaalsContact O-CA 3.25Å; N105-I128 WeakPolarHBondContact O-CA 3.39Å; N105-I128 WeakPolarHBondContact O-CB 3.5Å; N105-R129 HydrophobicContact CB-CB 4.32Å; N105-R129 PolarHBondContact O-N 2.87Å |
| 106 | V | 93.6 | Very high | 88.3 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.6 | -179 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | D108 Y114 V115 T117 V122 D126 I128 | V106-D108 PolarHBondContact O-N 2.76Å; V106-Y114 CarbonylContact O-C 3.57Å; V106-Y114 WeakPolarHBondContact O-CA 3.22Å; V106-V115 PolarHBondContact N-O 3.26Å; V106-V115 PolarHBondContact O-N 3.36Å; V106-T117 HydrophobicContact CG2-CG2 4.13Å; V106-V122 HydrophobicContact CG2-CG2 4.34Å; V106-D126 HydrophobicContact CG1-CB 3.97Å; V106-I128 HydrophobicContact CG2-CG2 3.97Å |
| 107 | Y | 91.6 | Very high | 88.8 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 122.1 | 175.3 | -176.1 | -104.8 | 0 | 0 | 0 | 110.8 | K112 Y114 I127 P203 | Y107-K112 VanDerWaalsContact CE2-C 3.49Å; Y107-Y114 HydrophobicContact CD2-CE2 4.3Å; Y107-I127 PolarHBondContact N-O 3.2Å; Y107-P203 HydrophobicContact CD1-CB 4.03Å; Y107-P203 HydrophobicContact CD1-CG 4.17Å; Y107-P203 HydrophobicContact CD2-CB 4.21Å; Y107-P203 HydrophobicContact CD2-CG 3.52Å; Y107-P203 HydrophobicContact CE1-CB 4.24Å; Y107-P203 HydrophobicContact CE1-CG 4.18Å; Y107-P203 HydrophobicContact CE2-CB 4.41Å; Y107-P203 HydrophobicContact CE2-CG 3.53Å; Y107-P203 HydrophobicContact CG-CB 4.01Å; Y107-P203 HydrophobicContact CG-CG 3.85Å |
| 108 | D | 87.1 | Confident | 89 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.3 | 170.5 | 165.3 | 42.3 | 0 | 0 | 0 | 110.5 | V106 L110 S111 K112 S113 V115 | V106-D108 PolarHBondContact O-N 2.76Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 2.85Å; D108-L110 PolarHBondContact OD1-N 3.4Å; D108-S111 WeakPolarHBondContact OD2-CB 3.27Å; D108-S111 PolarHBondContact OD2-N 2.88Å; D108-S111 PolarHBondContact OD2-OG 2.92Å; D108-K112 WeakPolarHBondContact O-CA 3.33Å; D108-K112 PolarHBondContact O-N 3.2Å; D108-S113 PolarHBondContact N-O 3Å; D108-S113 PolarHBondContact O-N 2.78Å; D108-V115 HydrophobicContact CB-CG2 4.04Å |
| 109 | G | 81.2 | Confident | 89.4 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 110 | L | 80.1 | Confident | 89.9 | Confident | 145 Ų | 145 | 58.3 Ų | 58.3 | 76% | 0.759 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -54.3 | 177.7 | -71.1 | 166.3 | 0 | 0 | 0 | 111.2 | D108 K112 | D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 2.85Å; D108-L110 PolarHBondContact OD1-N 3.4Å; L110-K112 VanDerWaalsContact C-N 3.26Å; L110-K112 PolarHBondContact O-N 3.31Å |
| 111 | S | 82.9 | Confident | 89.9 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 44% | 0.441 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.6 | 173.9 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | D108 S113 | D108-S111 WeakPolarHBondContact OD2-CB 3.27Å; D108-S111 PolarHBondContact OD2-N 2.88Å; D108-S111 PolarHBondContact OD2-OG 2.92Å; S111-S113 PolarHBondContact O-N 3.1Å; S111-S113 PolarHBondContact OG-N 3.04Å; S111-S113 PolarHBondContact OG-OG 2.87Å |
| 112 | K | 84.7 | Confident | 90 | Very high | 162 Ų | 162 | 57.3 Ų | 57.3 | 70% | 0.704 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 30.6 | -171.8 | -60.5 | -176.5 | 178.2 | -178.8 | 0 | 113.3 | Y107 D108 L110 | Y107-K112 VanDerWaalsContact CE2-C 3.49Å; D108-K112 WeakPolarHBondContact O-CA 3.33Å; D108-K112 PolarHBondContact O-N 3.2Å; L110-K112 VanDerWaalsContact C-N 3.26Å; L110-K112 PolarHBondContact O-N 3.31Å |
| 113 | S | 87.8 | Confident | 90.2 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 164.3 | -172.1 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | D108 S111 | D108-S113 PolarHBondContact N-O 3Å; D108-S113 PolarHBondContact O-N 2.78Å; S111-S113 PolarHBondContact O-N 3.1Å; S111-S113 PolarHBondContact OG-N 3.04Å; S111-S113 PolarHBondContact OG-OG 2.87Å |
| 114 | Y | 89.8 | Confident | 90.2 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.4 | 172.7 | -79.6 | -77 | 0 | 0 | 0 | 110.2 | N105 V106 Y107 R129 P203 E255 | N105-Y114 HydrophobicContact CB-CD1 4.42Å; V106-Y114 CarbonylContact O-C 3.57Å; V106-Y114 WeakPolarHBondContact O-CA 3.22Å; Y107-Y114 HydrophobicContact CD2-CE2 4.3Å; Y114-R129 HydrophobicContact CD1-CB 3.72Å; Y114-R129 HydrophobicContact CE1-CB 3.53Å; Y114-R129 HydrophobicContact CE2-CB 4.39Å; Y114-R129 HydrophobicContact CG-CB 4.25Å; Y114-P203 HydrophobicContact CE2-CG 4.49Å; Y114-E255 WeakPolarHBondContact CE2-OE1 3.43Å; Y114-E255 WeakPolarHBondContact OH-CG 3.4Å; Y114-E255 PolarHBondContact OH-OE1 2.89Å; Y114-E255 VanDerWaalsContact OH-OE1 3.07Å |
| 115 | V | 92 | Very high | 90.2 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.2 | -176 | -173.6 | 0 | 0 | 0 | 0 | 110 | V106 D108 T117 | V106-V115 PolarHBondContact N-O 3.26Å; V106-V115 PolarHBondContact O-N 3.36Å; D108-V115 HydrophobicContact CB-CG2 4.04Å; V115-T117 PolarHBondContact O-N 2.84Å; V115-T117 PolarHBondContact O-OG1 3.24Å |
| 116 | K | 93.3 | Very high | 90.1 | Very high | 144 Ų | 144 | 52.4 Ų | 52.4 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 118.2 | 172.7 | -87.4 | -163.8 | 173 | -165.2 | 0 | 110.2 | N105 | N105-K116 WeakPolarHBondContact OD1-CG 3.45Å |
| 117 | T | 92.8 | Very high | 90.1 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.2 | -177.6 | -54.5 | 0 | 0 | 0 | 0 | 109.2 | T103 C104 V106 V115 D121 | T103-T117 CarbonylContact C-O 3.58Å; T103-T117 VanDerWaalsContact CA-O 3.29Å; T103-T117 WeakPolarHBondContact CA-O 3.37Å; C104-T117 PolarHBondContact N-O 2.96Å; C104-T117 PolarHBondContact O-N 2.83Å; V106-T117 HydrophobicContact CG2-CG2 4.13Å; V115-T117 PolarHBondContact O-N 2.84Å; V115-T117 PolarHBondContact O-OG1 3.24Å; T117-D121 HydrophobicContact CG2-CB 3.84Å |
| 118 | L | 94.4 | Very high | 90.2 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 143.8 | 179.2 | -60.2 | 171.7 | 0 | 0 | 0 | 110.6 | N101 L102 T103 K120 D121 | N101-L118 WeakPolarHBondContact O-CD2 3.32Å; L102-L118 CarbonylContact O-C 3.59Å; L102-L118 WeakPolarHBondContact O-CA 3.32Å; T103-L118 HydrophobicContact CG2-CD2 3.98Å; L118-K120 HydrophobicContact CB-CG 4.22Å; L118-K120 VanDerWaalsContact CD1-CE 3.47Å; L118-K120 VanDerWaalsContact CD1-NZ 3.32Å; L118-K120 PolarHBondContact O-N 2.94Å; L118-K120 VanDerWaalsContact O-N 3.15Å; L118-D121 WeakPolarHBondContact O-CB 3.46Å; L118-D121 PolarHBondContact O-N 2.87Å |
| 119 | W | 93.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -53.8 | -39.1 | -176.4 | -84.3 | 28 | 0 | 0 | 0 | 112.9 | N21 I99 L102 T103 D121 V122 I135 P137 | N21-W119 VanDerWaalsContact CB-O 3.29Å; N21-W119 WeakPolarHBondContact CB-O 3.24Å; N21-W119 PolarHBondContact ND2-O 2.87Å; I99-W119 HydrophobicContact CG2-CE3 4.33Å; I99-W119 HydrophobicContact CG2-CZ3 4.45Å; L102-W119 VanDerWaalsContact C-CD1 3.43Å; L102-W119 HydrophobicContact CB-CD2 3.73Å; L102-W119 HydrophobicContact CB-CE3 4.37Å; L102-W119 HydrophobicContact CB-CG 3.76Å; L102-W119 HydrophobicContact CB-CZ2 4.44Å; L102-W119 HydrophobicContact CD1-CD2 4.13Å; L102-W119 HydrophobicContact CD1-CE3 4.02Å; L102-W119 HydrophobicContact CD1-CH2 3.98Å; L102-W119 HydrophobicContact CD1-CZ2 4.06Å; L102-W119 HydrophobicContact CD1-CZ3 3.95Å; L102-W119 PolarHBondContact O-N 3.06Å; T103-W119 PolarHBondContact O-NE1 3.04Å; W119-D121 VanDerWaalsContact C-N 3.25Å; W119-D121 PolarHBondContact O-N 3.33Å; W119-V122 PolarHBondContact O-N 3.49Å; W119-I135 HydrophobicContact CH2-CB 4.38Å; W119-I135 HydrophobicContact CH2-CG2 4.03Å; W119-P137 HydrophobicContact CD2-CB 3.74Å; W119-P137 HydrophobicContact CE3-CB 4.29Å; W119-P137 HydrophobicContact CG-CB 3.95Å; W119-P137 HydrophobicContact CZ2-CB 4.08Å |
| 120 | K | 92.4 | Very high | 91.1 | Very high | 72 Ų | 72 | 51 Ų | 51 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -63.8 | -24.4 | 176.6 | 73 | -164.3 | 177 | -163.1 | 0 | 114.9 | K22 N100 N101 L118 | K22-K120 HydrophobicContact CB-CB 4.29Å; K22-K120 HydrophobicContact CG-CB 4.45Å; N100-K120 HydrophobicContact CB-CB 4.04Å; N100-K120 HydrophobicContact CB-CD 4.41Å; N100-K120 PolarHBondContact O-N 2.94Å; N101-K120 PolarHBondContact OD1-NZ 3.12Å; L118-K120 HydrophobicContact CB-CG 4.22Å; L118-K120 VanDerWaalsContact CD1-CE 3.47Å; L118-K120 VanDerWaalsContact CD1-NZ 3.32Å; L118-K120 PolarHBondContact O-N 2.94Å; L118-K120 VanDerWaalsContact O-N 3.15Å |
| 121 | D | 92.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -92.8 | -7.1 | -174.8 | -85.1 | -84.8 | 0 | 0 | 0 | 112.5 | K10 T117 L118 W119 | K10-D121 IonicContact NZ-OD1 2.63Å; K10-D121 PolarHBondContact NZ-OD1 3.41Å; T117-D121 HydrophobicContact CG2-CB 3.84Å; L118-D121 WeakPolarHBondContact O-CB 3.46Å; L118-D121 PolarHBondContact O-N 2.87Å; W119-D121 VanDerWaalsContact C-N 3.25Å; W119-D121 PolarHBondContact O-N 3.33Å |
| 122 | V | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -68.5 | 136.9 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | N21 C104 V106 W119 V258 | N21-V122 HydrophobicContact CB-CB 3.95Å; N21-V122 WeakPolarHBondContact CB-O 3.42Å; N21-V122 PolarHBondContact N-O 3.43Å; C104-V122 VanDerWaalsContact SG-CG2 3.5Å; V106-V122 HydrophobicContact CG2-CG2 4.34Å; W119-V122 PolarHBondContact O-N 3.49Å; V122-V258 HydrophobicContact CG1-CG2 3.81Å | ||
| 123 | T | 92.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 23% | 0.233 | 20% | 0.202 | C | C | . | . | trans | -129.1 | 158.9 | -178.3 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | N3 R13 G125 D126 | N3-T123 PolarHBondContact ND2-OG1 2.6Å; R13-T123 PolarHBondContact NH1-OG1 3.26Å; T123-G125 PolarHBondContact O-N 2.76Å; T123-D126 WeakPolarHBondContact CA-OD2 3.33Å; T123-D126 PolarHBondContact N-OD2 3.39Å; T123-D126 WeakPolarHBondContact O-CB 3.26Å; T123-D126 PolarHBondContact O-N 2.92Å; T123-D126 VanDerWaalsContact O-N 3.14Å; T123-D126 PolarHBondContact OG1-OD2 2.7Å | ||
| 124 | V | 93 | Very high | 91.6 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 136.4 | 174.1 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | N3 N15 Y18 D126 L259 A261 | N3-V124 PolarHBondContact ND2-O 3.5Å; N3-V124 PolarHBondContact OD1-O 3.2Å; N15-V124 HydrophobicContact CB-CB 4.11Å; N15-V124 HydrophobicContact CB-CG1 4.14Å; N15-V124 WeakPolarHBondContact CB-O 3.47Å; N15-V124 PolarHBondContact ND2-O 3.19Å; Y18-V124 HydrophobicContact CD1-CG2 4.41Å; Y18-V124 HydrophobicContact CD2-CG1 4.49Å; Y18-V124 HydrophobicContact CG-CB 4.26Å; Y18-V124 HydrophobicContact CG-CG1 4.45Å; Y18-V124 HydrophobicContact CG-CG2 4.13Å; V124-D126 VanDerWaalsContact C-N 3.33Å; V124-D126 PolarHBondContact O-N 2.91Å; V124-L259 WeakPolarHBondContact CG1-O 3.48Å; V124-A261 HydrophobicContact CG2-CB 4Å |
| 125 | G | 91.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 2.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | P2 N3 T123 V258 | P2-G125 WeakPolarHBondContact CA-O 3.47Å; N3-G125 PolarHBondContact N-O 3.27Å; T123-G125 PolarHBondContact O-N 2.76Å; G125-V258 PolarHBondContact N-O 2.68Å |
| 126 | D | 92.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | trans | -69.1 | 139.3 | 165 | -73.9 | -35.2 | 0 | 0 | 0 | 110.1 | N3 R13 V106 T123 V124 I257 V258 | N3-D126 VanDerWaalsContact ND2-CG 3.32Å; N3-D126 PolarHBondContact ND2-N 3.1Å; N3-D126 PolarHBondContact ND2-OD1 3.27Å; R13-D126 IonicContact CZ-OD1 2.67Å; R13-D126 IonicContact NH1-OD1 3.38Å; R13-D126 PolarHBondContact NH1-OD1 3.15Å; R13-D126 IonicContact NH1-OD2 2.74Å; R13-D126 PolarHBondContact NH1-OD2 2.95Å; R13-D126 IonicContact NH2-OD1 2.91Å; V106-D126 HydrophobicContact CG1-CB 3.97Å; T123-D126 WeakPolarHBondContact CA-OD2 3.33Å; T123-D126 PolarHBondContact N-OD2 3.39Å; T123-D126 WeakPolarHBondContact O-CB 3.26Å; T123-D126 PolarHBondContact O-N 2.92Å; T123-D126 VanDerWaalsContact O-N 3.14Å; T123-D126 PolarHBondContact OG1-OD2 2.7Å; V124-D126 VanDerWaalsContact C-N 3.33Å; V124-D126 PolarHBondContact O-N 2.91Å; D126-I257 WeakPolarHBondContact O-CA 3.41Å; D126-V258 HydrophobicContact CB-CG2 4.49Å; D126-V258 PolarHBondContact O-N 2.84Å | ||
| 127 | I | 93.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.8 | 170.3 | -60 | 173.9 | 0 | 0 | 0 | 107.3 | Y107 P203 F206 G256 I257 | Y107-I127 PolarHBondContact N-O 3.2Å; I127-P203 HydrophobicContact CD1-CB 3.94Å; I127-P203 HydrophobicContact CG2-CB 4.16Å; I127-F206 HydrophobicContact CD1-CB 4.39Å; I127-F206 HydrophobicContact CD1-CD1 4.1Å; I127-G256 CarbonylContact C-O 3.54Å; I127-G256 WeakPolarHBondContact CA-O 3.2Å; I127-I257 HydrophobicContact CG1-CB 4.32Å; I127-I257 HydrophobicContact CG1-CD1 4.49Å; I127-I257 HydrophobicContact CG1-CG1 4.41Å |
| 128 | I | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 147.7 | -179 | 71.4 | 172.9 | 0 | 0 | 0 | 111.2 | N105 V106 V130 P137 I140 E255 G256 V258 | N105-I128 CarbonylContact O-C 3.5Å; N105-I128 VanDerWaalsContact O-CA 3.25Å; N105-I128 WeakPolarHBondContact O-CA 3.39Å; N105-I128 WeakPolarHBondContact O-CB 3.5Å; V106-I128 HydrophobicContact CG2-CG2 3.97Å; I128-V130 HydrophobicContact CD1-CG2 4.02Å; I128-V130 HydrophobicContact CG1-CG2 4.22Å; I128-P137 HydrophobicContact CD1-CG 3.49Å; I128-P137 VanDerWaalsContact CD1-CG 3.49Å; I128-I140 HydrophobicContact CD1-CD1 4.27Å; I128-I140 HydrophobicContact CD1-CG2 3.77Å; I128-I140 HydrophobicContact CG1-CD1 4.34Å; I128-I140 HydrophobicContact CG1-CG2 4.19Å; I128-E255 WeakPolarHBondContact O-CA 3.43Å; I128-G256 PolarHBondContact N-O 2.68Å; I128-G256 PolarHBondContact O-N 3.04Å; I128-V258 HydrophobicContact CD1-CG2 4.42Å; I128-V258 HydrophobicContact CG2-CG2 4.09Å |
| 129 | R | 94.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 25.2 Ų | 25.2 | 27% | 0.268 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.8 | 167.4 | 175.4 | 176.6 | -84.4 | 175.3 | -8.2 | 108.8 | N105 Y114 Y253 I254 E255 | N105-R129 HydrophobicContact CB-CB 4.32Å; N105-R129 PolarHBondContact O-N 2.87Å; Y114-R129 HydrophobicContact CD1-CB 3.72Å; Y114-R129 HydrophobicContact CE1-CB 3.53Å; Y114-R129 HydrophobicContact CE2-CB 4.39Å; Y114-R129 HydrophobicContact CG-CB 4.25Å; R129-Y253 HydrophobicContact CG-CD2 4.36Å; R129-I254 VanDerWaalsContact CA-O 3.31Å; R129-I254 WeakPolarHBondContact CA-O 3.23Å; R129-E255 HydrophobicContact CB-CG 4.24Å; R129-E255 HydrophobicContact CG-CG 4.34Å; R129-E255 IonicContact CZ-OE1 3.79Å; R129-E255 IonicContact NE-OE1 2.76Å; R129-E255 PolarHBondContact NE-OE1 3.28Å; R129-E255 VanDerWaalsContact NE-OE1 3.15Å; R129-E255 IonicContact NH2-OE1 3.16Å; R129-E255 PolarHBondContact NH2-OE1 2.58Å |
| 130 | V | 93.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.1 | 177.2 | -175 | 0 | 0 | 0 | 0 | 107.6 | I128 E134 T136 I140 L248 Y253 I254 | I128-V130 HydrophobicContact CD1-CG2 4.02Å; I128-V130 HydrophobicContact CG1-CG2 4.22Å; V130-E134 HydrophobicContact CG1-CB 3.68Å; V130-T136 HydrophobicContact CG1-CG2 4.34Å; V130-T136 HydrophobicContact CG2-CG2 4.3Å; V130-I140 HydrophobicContact CG2-CD1 4.38Å; V130-L248 HydrophobicContact CG1-CB 4.24Å; V130-L248 WeakPolarHBondContact O-CD2 3.44Å; V130-Y253 CarbonylContact O-C 3.54Å; V130-Y253 WeakPolarHBondContact O-CA 3.5Å; V130-Y253 WeakPolarHBondContact O-CB 3.31Å; V130-I254 HydrophobicContact CB-CD1 4.32Å; V130-I254 HydrophobicContact CB-CG1 3.88Å; V130-I254 PolarHBondContact N-O 2.95Å; V130-I254 PolarHBondContact O-N 2.82Å |
| 131 | S | 91 | Very high | 91.6 | Very high | 40 Ų | 40 | 20.8 Ų | 20.8 | 28% | 0.28 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 163.9 | -175.5 | -38.8 | 0 | 0 | 0 | 0 | 111.4 | N133 E134 | S131-N133 PolarHBondContact O-N 3.46Å; S131-E134 WeakPolarHBondContact CB-OE2 3.39Å; S131-E134 PolarHBondContact N-OE2 2.81Å; S131-E134 WeakPolarHBondContact O-CB 3.32Å; S131-E134 PolarHBondContact O-N 3.46Å; S131-E134 PolarHBondContact OG-OE2 3.31Å |
| 132 | C | 85.7 | Confident | 91.7 | Very high | 36 Ų | 36 | 18.1 Ų | 18.1 | 24% | 0.243 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128 | 172.4 | -162.1 | 0 | 0 | 0 | 0 | 110.9 | E134 T251 D252 | C132-E134 VanDerWaalsContact C-N 3.33Å; C132-T251 WeakPolarHBondContact CA-O 3.49Å; C132-T251 WeakPolarHBondContact CB-O 3.44Å; C132-D252 PolarHBondContact N-O 3.07Å |
| 133 | N | 81.9 | Confident | 91.6 | Very high | 38 Ų | 38 | 18.1 Ų | 18.1 | 20% | 0.203 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 19 | -173.6 | -38.2 | -78.3 | 0 | 0 | 0 | 115.6 | S131 E247 L248 R249 | S131-N133 PolarHBondContact O-N 3.46Å; N133-E247 VanDerWaalsContact CA-OE1 3.24Å; N133-E247 WeakPolarHBondContact CA-OE1 3.4Å; N133-E247 WeakPolarHBondContact CB-OE1 3.47Å; N133-L248 WeakPolarHBondContact CA-O 3.34Å; N133-L248 PolarHBondContact N-O 3.16Å; N133-R249 PolarHBondContact OD1-NH1 3.44Å |
| 134 | E | 86 | Confident | 91.5 | Very high | 48 Ų | 48 | 17 Ų | 17 | 22% | 0.224 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -91 | 143.1 | 162.3 | -79.1 | -172.8 | 114.9 | 0 | 0 | 111.4 | V130 S131 C132 L248 | V130-E134 HydrophobicContact CG1-CB 3.68Å; S131-E134 WeakPolarHBondContact CB-OE2 3.39Å; S131-E134 PolarHBondContact N-OE2 2.81Å; S131-E134 WeakPolarHBondContact O-CB 3.32Å; S131-E134 PolarHBondContact O-N 3.46Å; S131-E134 PolarHBondContact OG-OE2 3.31Å; C132-E134 VanDerWaalsContact C-N 3.33Å; E134-L248 PolarHBondContact O-N 3.11Å |
| 135 | I | 87.3 | Confident | 91.2 | Very high | 74 Ų | 74 | 16.5 Ų | 16.5 | 38% | 0.379 | 9% | 0.088 | S | C | . | . | B | Isolated β-bridge | trans | -84.5 | 135 | 171.9 | -60.5 | 173 | 0 | 0 | 0 | 109.7 | W119 E247 | W119-I135 HydrophobicContact CH2-CB 4.38Å; W119-I135 HydrophobicContact CH2-CG2 4.03Å; I135-E247 HydrophobicContact CG1-CB 4.24Å; I135-E247 HydrophobicContact CG1-CG 4.12Å |
| 136 | T | 91.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 127.9 | 177.5 | 43.8 | 0 | 0 | 0 | 0 | 112.9 | V130 I140 I242 I243 G245 C246 | V130-T136 HydrophobicContact CG1-CG2 4.34Å; V130-T136 HydrophobicContact CG2-CG2 4.3Å; T136-I140 HydrophobicContact CG2-CD1 4.17Å; T136-I242 HydrophobicContact CG2-CG2 3.74Å; T136-I243 PolarHBondContact OG1-O 3.38Å; T136-G245 PolarHBondContact O-N 3.34Å; T136-G245 VanDerWaalsContact O-N 3.16Å; T136-G245 PolarHBondContact OG1-N 2.92Å; T136-C246 PolarHBondContact N-O 3.48Å; T136-C246 PolarHBondContact OG1-N 2.93Å; T136-C246 PolarHBondContact OG1-O 2.72Å |
| 137 | P | 92.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -81.5 | -16.2 | -173.6 | 33.1 | -38.1 | 0 | 0 | 0 | 114.2 | N21 C104 W119 I128 R244 | N21-P137 PolarHBondContact ND2-O 3.35Å; N21-P137 PolarHBondContact OD1-O 3.4Å; C104-P137 HydrophobicContact CB-CG 4.14Å; W119-P137 HydrophobicContact CD2-CB 3.74Å; W119-P137 HydrophobicContact CE3-CB 4.29Å; W119-P137 HydrophobicContact CG-CB 3.95Å; W119-P137 HydrophobicContact CZ2-CB 4.08Å; I128-P137 HydrophobicContact CD1-CG 3.49Å; I128-P137 VanDerWaalsContact CD1-CG 3.49Å; P137-R244 WeakPolarHBondContact O-CD 3.25Å; P137-R244 PolarHBondContact O-NH1 3.34Å |
| 138 | A | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -158.7 | 171.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V258 | A138-V258 HydrophobicContact CB-CG1 3.78Å; A138-V258 HydrophobicContact CB-CG2 4.23Å |
| 139 | D | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.1 | 175 | -62.9 | -3.9 | 0 | 0 | 0 | 108.6 | I242 R244 L259 Y260 T265 K266 | D139-I242 CarbonylContact C-O 3.56Å; D139-I242 WeakPolarHBondContact CA-O 3.31Å; D139-R244 WeakPolarHBondContact OD1-CB 3.15Å; D139-R244 PolarHBondContact OD1-N 3.39Å; D139-L259 PolarHBondContact O-N 3.09Å; D139-Y260 HydrophobicContact CB-CD2 3.9Å; D139-Y260 HydrophobicContact CB-CG 4.42Å; D139-Y260 PolarHBondContact N-O 3.1Å; D139-Y260 VanDerWaalsContact N-O 3.13Å; D139-Y260 PolarHBondContact O-N 3.27Å; D139-T265 HydrophobicContact CB-CG2 4.44Å; D139-T265 WeakPolarHBondContact OD1-CB 3.44Å; D139-T265 WeakPolarHBondContact OD2-CA 3.43Å; D139-K266 PolarHBondContact OD2-N 3.5Å |
| 140 | I | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.4 | -169.9 | 69 | 177.5 | 0 | 0 | 0 | 113.3 | I128 V130 T136 I242 I254 I257 V258 | I128-I140 HydrophobicContact CD1-CD1 4.27Å; I128-I140 HydrophobicContact CD1-CG2 3.77Å; I128-I140 HydrophobicContact CG1-CD1 4.34Å; I128-I140 HydrophobicContact CG1-CG2 4.19Å; V130-I140 HydrophobicContact CG2-CD1 4.38Å; T136-I140 HydrophobicContact CG2-CD1 4.17Å; I140-I242 HydrophobicContact CG1-CB 3.93Å; I140-I242 PolarHBondContact N-O 3.42Å; I140-I242 PolarHBondContact O-N 3.37Å; I140-I254 HydrophobicContact CD1-CD1 4.18Å; I140-I257 CarbonylContact C-O 3.57Å; I140-I257 VanDerWaalsContact CA-O 3.31Å; I140-I257 WeakPolarHBondContact CA-O 3.42Å; I140-V258 HydrophobicContact CG2-CG2 3.94Å |
| 141 | L | 94.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.5 | 169.3 | -175 | 71.1 | 0 | 0 | 0 | 110 | L143 V171 V210 L236 S240 G256 I257 L259 | L141-L143 HydrophobicContact CD2-CD2 4.21Å; L141-L143 HydrophobicContact CG-CD2 4.44Å; L141-L143 PolarHBondContact O-N 3.24Å; L141-V171 HydrophobicContact CD1-CG2 4.03Å; L141-V171 HydrophobicContact CD2-CG2 4.22Å; L141-V171 HydrophobicContact CG-CG2 4.05Å; L141-V210 HydrophobicContact CD2-CG1 4.28Å; L141-V210 HydrophobicContact CD2-CG2 3.96Å; L141-L236 HydrophobicContact CD1-CD1 3.98Å; L141-L236 HydrophobicContact CD1-CD2 4.23Å; L141-L236 HydrophobicContact CD2-CD1 3.69Å; L141-L236 HydrophobicContact CD2-CD2 4.47Å; L141-S240 VanDerWaalsContact CD1-OG 3.31Å; L141-S240 WeakPolarHBondContact CD1-OG 3.28Å; L141-G256 CarbonylContact O-C 3.6Å; L141-G256 WeakPolarHBondContact O-CA 3.37Å; L141-I257 HydrophobicContact CB-CG2 3.87Å; L141-I257 HydrophobicContact CD2-CG2 4.24Å; L141-I257 PolarHBondContact N-O 3.27Å; L141-I257 PolarHBondContact O-N 3.42Å; L141-L259 HydrophobicContact CB-CD1 4.08Å; L141-L259 HydrophobicContact CB-CD2 4.09Å; L141-L259 HydrophobicContact CB-CG 4.1Å |
| 142 | L | 94 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 110 | -176.2 | -178.7 | 58.9 | 0 | 0 | 0 | 111.9 | N144 C152 R168 V170 V171 S240 I242 I254 | L142-N144 WeakPolarHBondContact CD1-O 3.33Å; L142-C152 VanDerWaalsContact CD2-SG 3.54Å; L142-R168 HydrophobicContact CD2-CB 3.91Å; L142-V170 HydrophobicContact CD1-CG2 4.35Å; L142-V170 HydrophobicContact CD2-CG2 4.23Å; L142-V170 HydrophobicContact CG-CG2 3.84Å; L142-V171 PolarHBondContact O-N 3.24Å; L142-S240 WeakPolarHBondContact CB-O 3.5Å; L142-S240 PolarHBondContact N-O 3.25Å; L142-I242 HydrophobicContact CB-CD1 4.48Å; L142-I242 HydrophobicContact CD1-CD1 4.34Å; L142-I242 HydrophobicContact CD2-CD1 4.46Å; L142-I254 HydrophobicContact CD1-CB 3.72Å; L142-I254 HydrophobicContact CD1-CD1 4.16Å; L142-I254 HydrophobicContact CD1-CG2 3.84Å |
| 143 | L | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -29.6 | -176.8 | -60.7 | -177.1 | 0 | 0 | 0 | 113.5 | L141 V170 F201 F206 E255 I257 | L141-L143 HydrophobicContact CD2-CD2 4.21Å; L141-L143 HydrophobicContact CG-CD2 4.44Å; L141-L143 PolarHBondContact O-N 3.24Å; L143-V170 VanDerWaalsContact O-CG1 3.26Å; L143-V170 WeakPolarHBondContact O-CG1 3.22Å; L143-F201 HydrophobicContact CB-CE1 4.39Å; L143-F201 HydrophobicContact CB-CE2 4.19Å; L143-F201 HydrophobicContact CB-CZ 3.81Å; L143-F201 HydrophobicContact CD1-CZ 4.03Å; L143-F206 HydrophobicContact CD1-CD1 3.92Å; L143-F206 HydrophobicContact CD1-CD2 4.2Å; L143-F206 HydrophobicContact CD1-CE1 3.7Å; L143-F206 HydrophobicContact CD1-CE2 4Å; L143-F206 HydrophobicContact CD1-CG 4.17Å; L143-F206 HydrophobicContact CD1-CZ 3.74Å; L143-F206 HydrophobicContact CD2-CE1 4.44Å; L143-F206 HydrophobicContact CD2-CE2 3.79Å; L143-F206 HydrophobicContact CD2-CZ 3.68Å; L143-F206 HydrophobicContact CG-CZ 4.39Å; L143-E255 PolarHBondContact N-O 3Å; L143-I257 HydrophobicContact CD1-CB 3.92Å; L143-I257 HydrophobicContact CD1-CG2 3.83Å; L143-I257 HydrophobicContact CD2-CG2 4.18Å; L143-I257 HydrophobicContact CG-CG2 4.1Å |
| 144 | N | 90.7 | Very high | 86.8 | Confident | 14 Ų | 14 | 28 Ų | 28 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 152.8 | 176.7 | -174.4 | 38.2 | 0 | 0 | 0 | 111.6 | L142 F201 I254 E255 | L142-N144 WeakPolarHBondContact CD1-O 3.33Å; N144-F201 HydrophobicContact CB-CB 3.94Å; N144-F201 HydrophobicContact CB-CD1 3.84Å; N144-F201 HydrophobicContact CB-CD2 4.42Å; N144-F201 HydrophobicContact CB-CE1 4.47Å; N144-F201 HydrophobicContact CB-CG 3.82Å; N144-I254 WeakPolarHBondContact O-CA 3.47Å; N144-E255 HydrophobicContact CB-CB 4.21Å; N144-E255 PolarHBondContact N-O 3.44Å; N144-E255 PolarHBondContact ND2-OE2 2.82Å; N144-E255 PolarHBondContact O-N 3.43Å |
| 145 | S | 87.6 | Confident | 86.6 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149 | 175 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | D147 T151 T251 | S145-D147 PolarHBondContact O-N 3.29Å; S145-D147 PolarHBondContact OG-N 2.96Å; S145-T151 WeakPolarHBondContact CB-O 3.07Å; S145-T151 PolarHBondContact OG-O 3.25Å; S145-T251 WeakPolarHBondContact OG-CG2 3.32Å |
| 146 | A | 83.1 | Confident | 86 | Confident | 31 Ų | 31 | 23.4 Ų | 23.4 | 26% | 0.256 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -64.7 | -21.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D252 Y253 | A146-D252 HydrophobicContact CB-CB 3.92Å; A146-Y253 HydrophobicContact CB-CD1 3.72Å; A146-Y253 HydrophobicContact CB-CD2 4.45Å; A146-Y253 HydrophobicContact CB-CE1 3.66Å; A146-Y253 HydrophobicContact CB-CE2 4.42Å; A146-Y253 HydrophobicContact CB-CG 4.11Å; A146-Y253 VanDerWaalsContact CB-O 3.29Å; A146-Y253 WeakPolarHBondContact CB-O 3.49Å; A146-Y253 PolarHBondContact N-O 3.08Å |
| 147 | D | 76.9 | Confident | 84.8 | Confident | 69 Ų | 69 | 23.3 Ų | 23.3 | 37% | 0.369 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -85.1 | 140.1 | 175.9 | -177 | 39.3 | 0 | 0 | 0 | 113 | S145 S149 G150 | S145-D147 PolarHBondContact O-N 3.29Å; S145-D147 PolarHBondContact OG-N 2.96Å; D147-S149 PolarHBondContact O-N 2.88Å; D147-S149 VanDerWaalsContact OD2-CB 3.25Å; D147-S149 WeakPolarHBondContact OD2-CB 3.49Å; D147-S149 PolarHBondContact OD2-N 2.92Å; D147-S149 PolarHBondContact OD2-OG 3Å; D147-G150 PolarHBondContact O-N 3.05Å |
| 148 | R | 70.8 | Confident | 83.4 | Confident | 193 Ų | 193 | 23.6 Ų | 23.6 | 73% | 0.728 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.4 | -175 | -56.7 | -175.9 | -168.9 | 160.8 | 9.6 | 113.8 | G150 C179 | R148-G150 VanDerWaalsContact C-N 3.26Å; R148-C179 PolarHBondContact O-SG 3.04Å |
| 149 | S | 70.1 | Confident | 82 | Confident | 55 Ų | 55 | 23.8 Ų | 23.8 | 39% | 0.385 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.2 | 170.3 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | D147 T151 | D147-S149 PolarHBondContact O-N 2.88Å; D147-S149 VanDerWaalsContact OD2-CB 3.25Å; D147-S149 WeakPolarHBondContact OD2-CB 3.49Å; D147-S149 PolarHBondContact OD2-N 2.92Å; D147-S149 PolarHBondContact OD2-OG 3Å; S149-T151 VanDerWaalsContact OG-CB 3.23Å; S149-T151 WeakPolarHBondContact OG-CB 3.32Å; S149-T151 PolarHBondContact OG-N 3.43Å; S149-T151 PolarHBondContact OG-OG1 2.91Å |
| 150 | G | 78.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 74.7 | 9.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D147 R148 V170 | D147-G150 PolarHBondContact O-N 3.05Å; R148-G150 VanDerWaalsContact C-N 3.26Å; G150-V170 WeakPolarHBondContact O-CB 3.38Å; G150-V170 VanDerWaalsContact O-CG2 3.25Å; G150-V170 WeakPolarHBondContact O-CG2 3.16Å; G150-V170 PolarHBondContact O-N 3.14Å |
| 151 | T | 83 | Confident | 78.5 | Confident | 20 Ų | 20 | 25.1 Ų | 25.1 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 153.4 | 176.2 | -36.7 | 0 | 0 | 0 | 0 | 110.6 | S145 S149 P167 R168 Q169 | S145-T151 WeakPolarHBondContact CB-O 3.07Å; S145-T151 PolarHBondContact OG-O 3.25Å; S149-T151 VanDerWaalsContact OG-CB 3.23Å; S149-T151 WeakPolarHBondContact OG-CB 3.32Å; S149-T151 PolarHBondContact OG-N 3.43Å; S149-T151 PolarHBondContact OG-OG1 2.91Å; T151-P167 HydrophobicContact CG2-CB 4.12Å; T151-R168 CarbonylContact C-O 3.3Å; T151-R168 VanDerWaalsContact CA-O 3.26Å; T151-R168 WeakPolarHBondContact CA-O 3.31Å; T151-R168 VanDerWaalsContact CG2-O 3.26Å; T151-R168 WeakPolarHBondContact CG2-O 3.31Å; T151-Q169 HydrophobicContact CG2-CG 4.35Å |
| 152 | C | 88.3 | Confident | 77 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 166.2 | 160.5 | 74.7 | 0 | 0 | 0 | 0 | 110.5 | L142 P167 R168 L248 T251 I254 | L142-C152 VanDerWaalsContact CD2-SG 3.54Å; C152-P167 CarbonylContact O-C 3.56Å; C152-P167 WeakPolarHBondContact O-CA 3.27Å; C152-R168 PolarHBondContact N-O 2.94Å; C152-R168 PolarHBondContact O-N 3.36Å; C152-L248 HydrophobicContact CB-CD1 4.23Å; C152-T251 WeakPolarHBondContact CA-OG1 3.39Å; C152-T251 HydrophobicContact CB-CG2 3.66Å; C152-T251 WeakPolarHBondContact CB-OG1 3.37Å; C152-I254 HydrophobicContact CB-CG2 3.54Å |
| 153 | Y | 87.3 | Confident | 75.3 | Confident | 70 Ų | 70 | 31.8 Ų | 31.8 | 28% | 0.275 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.9 | 178.2 | -63.7 | -91.4 | 0 | 0 | 0 | 110.5 | L165 P167 R249 N250 T251 | Y153-L165 HydrophobicContact CD1-CB 4.29Å; Y153-P167 HydrophobicContact CD1-CB 4.29Å; Y153-P167 HydrophobicContact CE1-CB 4.05Å; Y153-R249 PolarHBondContact O-N 3.07Å; Y153-N250 HydrophobicContact CD2-CB 3.88Å; Y153-N250 HydrophobicContact CG-CB 4.22Å; Y153-T251 PolarHBondContact N-OG1 2.77Å |
| 154 | V | 87.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.5 | 175.9 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | T156 K166 R168 I242 C246 E247 L248 | V154-T156 HydrophobicContact CG2-CG2 4.28Å; V154-K166 HydrophobicContact CG2-CB 4.44Å; V154-K166 PolarHBondContact N-O 3.21Å; V154-K166 PolarHBondContact O-N 3.24Å; V154-R168 HydrophobicContact CG1-CG 4.5Å; V154-R168 HydrophobicContact CG2-CG 3.82Å; V154-I242 HydrophobicContact CG1-CD1 4.06Å; V154-I242 HydrophobicContact CG1-CG1 4.31Å; V154-I242 HydrophobicContact CG1-CG2 3.97Å; V154-C246 HydrophobicContact CB-CB 4.06Å; V154-C246 HydrophobicContact CG1-CB 4.41Å; V154-C246 HydrophobicContact CG2-CB 4.48Å; V154-E247 WeakPolarHBondContact CA-O 3.26Å; V154-L248 HydrophobicContact CG1-CD1 4.17Å |
| 155 | E | 80.6 | Confident | 73.5 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.5 | 170 | -160.4 | -178.4 | 128.4 | 0 | 0 | 109.2 | S157 L165 C246 E247 R249 | E155-S157 WeakPolarHBondContact OE1-CB 3.44Å; E155-S157 PolarHBondContact OE1-OG 2.95Å; E155-L165 HydrophobicContact CB-CD2 3.86Å; E155-L165 HydrophobicContact CG-CD2 4.03Å; E155-C246 WeakPolarHBondContact O-CA 3.43Å; E155-E247 HydrophobicContact CB-CB 4.47Å; E155-E247 PolarHBondContact N-O 2.63Å; E155-E247 PolarHBondContact O-N 2.75Å; E155-R249 HydrophobicContact CB-CG 3.99Å; E155-R249 IonicContact OE1-NH2 2.74Å; E155-R249 IonicContact OE2-CZ 3.96Å; E155-R249 IonicContact OE2-NE 2.66Å; E155-R249 PolarHBondContact OE2-NE 3.22Å; E155-R249 IonicContact OE2-NH2 3.56Å; E155-R249 PolarHBondContact OE2-NH2 3.01Å |
| 156 | T | 76.2 | Confident | 73.2 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | trans | -118.8 | 7.7 | -178.6 | 61 | 0 | 0 | 0 | 0 | 113.7 | V154 T158 L159 D160 K166 | V154-T156 HydrophobicContact CG2-CG2 4.28Å; T156-T158 PolarHBondContact O-N 3.08Å; T156-T158 VanDerWaalsContact O-N 3.12Å; T156-L159 CarbonylContact O-C 3.52Å; T156-L159 WeakPolarHBondContact O-CA 3.15Å; T156-L159 WeakPolarHBondContact O-CB 3.13Å; T156-L159 PolarHBondContact O-N 3.37Å; T156-D160 VanDerWaalsContact CB-OD1 3.31Å; T156-D160 WeakPolarHBondContact CB-OD1 3.34Å; T156-D160 VanDerWaalsContact CB-OD2 3.31Å; T156-D160 WeakPolarHBondContact CB-OD2 3.35Å; T156-D160 PolarHBondContact O-N 2.86Å; T156-D160 VanDerWaalsContact O-OD1 3.05Å; T156-D160 VanDerWaalsContact OG1-CG 3.23Å; T156-D160 PolarHBondContact OG1-OD1 2.57Å; T156-D160 PolarHBondContact OG1-OD2 2.86Å; T156-D160 VanDerWaalsContact OG1-OD2 3.06Å; T156-K166 HydrophobicContact CG2-CB 4.5Å; T156-K166 HydrophobicContact CG2-CD 3.87Å; T156-K166 HydrophobicContact CG2-CG 4.31Å; T156-K166 VanDerWaalsContact OG1-CD 3.32Å; T156-K166 WeakPolarHBondContact OG1-CD 3.44Å; T156-K166 WeakPolarHBondContact OG1-CE 3.25Å; T156-K166 PolarHBondContact OG1-NZ 3.33Å | ||
| 157 | S | 65.8 | Low | 73.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -37.8 | -50.9 | 169.7 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | E155 L159 D160 G161 E162 N163 | E155-S157 WeakPolarHBondContact OE1-CB 3.44Å; E155-S157 PolarHBondContact OE1-OG 2.95Å; S157-L159 PolarHBondContact O-N 2.81Å; S157-D160 PolarHBondContact O-N 2.82Å; S157-G161 WeakPolarHBondContact O-CA 3.23Å; S157-G161 PolarHBondContact O-N 3.06Å; S157-E162 PolarHBondContact N-O 3.03Å; S157-N163 VanDerWaalsContact CB-OD1 3.26Å; S157-N163 WeakPolarHBondContact CB-OD1 3.49Å |
| 158 | T | 62.4 | Low | 73.9 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -20.3 | 178.6 | 83.7 | 0 | 0 | 0 | 0 | 115.5 | T156 G245 A1029 E1048 | T156-T158 PolarHBondContact O-N 3.08Å; T156-T158 VanDerWaalsContact O-N 3.12Å; T158-G245 PolarHBondContact OG1-O 3.1Å; T158-A1029 WeakPolarHBondContact O-CB 3.47Å; T158-A1029 PolarHBondContact O-N 3.47Å; T158-E1048 VanDerWaalsContact CA-O 3.24Å; T158-E1048 WeakPolarHBondContact CA-O 3.35Å; T158-E1048 WeakPolarHBondContact CB-O 3.17Å; T158-E1048 WeakPolarHBondContact CG2-O 3.47Å |
| 159 | L | 65.2 | Low | 74.7 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -110.5 | -38.7 | -176.8 | -67.1 | 178.1 | 0 | 0 | 0 | 113.2 | T156 S157 M219 I243 T267 N1030 | T156-L159 CarbonylContact O-C 3.52Å; T156-L159 WeakPolarHBondContact O-CA 3.15Å; T156-L159 WeakPolarHBondContact O-CB 3.13Å; T156-L159 PolarHBondContact O-N 3.37Å; S157-L159 PolarHBondContact O-N 2.81Å; L159-M219 HydrophobicContact CD2-CE 4.45Å; L159-I243 HydrophobicContact CD1-CB 3.86Å; L159-I243 HydrophobicContact CD1-CG2 3.79Å; L159-T267 HydrophobicContact CD2-CG2 3.66Å; L159-T267 WeakPolarHBondContact CD2-OG1 3.34Å; L159-N1030 WeakPolarHBondContact O-CA 3.45Å; L159-N1030 VanDerWaalsContact O-CB 3.29Å; L159-N1030 WeakPolarHBondContact O-CB 3.38Å; L159-N1030 PolarHBondContact O-N 2.8Å; L159-N1030 PolarHBondContact O-ND2 3.29Å |
| 160 | D | 61.6 | Low | 75.7 | Confident | 18 Ų | 18 | 27.6 Ų | 27.6 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -135.2 | 2.7 | -170.1 | 57.8 | 41.5 | 0 | 0 | 0 | 116.6 | T156 S157 E162 K166 Y220 N1030 | T156-D160 VanDerWaalsContact CB-OD1 3.31Å; T156-D160 WeakPolarHBondContact CB-OD1 3.34Å; T156-D160 VanDerWaalsContact CB-OD2 3.31Å; T156-D160 WeakPolarHBondContact CB-OD2 3.35Å; T156-D160 PolarHBondContact O-N 2.86Å; T156-D160 VanDerWaalsContact O-OD1 3.05Å; T156-D160 VanDerWaalsContact OG1-CG 3.23Å; T156-D160 PolarHBondContact OG1-OD1 2.57Å; T156-D160 PolarHBondContact OG1-OD2 2.86Å; T156-D160 VanDerWaalsContact OG1-OD2 3.06Å; S157-D160 PolarHBondContact O-N 2.82Å; D160-E162 PolarHBondContact O-N 3.41Å; D160-E162 WeakPolarHBondContact OD1-CB 3.35Å; D160-E162 PolarHBondContact OD1-N 3.33Å; D160-K166 IonicContact OD1-NZ 3.83Å; D160-K166 PolarHBondContact OD1-NZ 2.88Å; D160-K166 IonicContact OD2-NZ 3.7Å; D160-K166 PolarHBondContact OD2-NZ 3.12Å; D160-Y220 VanDerWaalsContact CB-OH 3.29Å; D160-Y220 WeakPolarHBondContact CB-OH 3.32Å; D160-Y220 PolarHBondContact OD2-OH 3.36Å; D160-N1030 WeakPolarHBondContact CA-ND2 3.17Å |
| 161 | G | 52.6 | Low | 75.9 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 66.8 | 8.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S157 T408 | S157-G161 WeakPolarHBondContact O-CA 3.23Å; S157-G161 PolarHBondContact O-N 3.06Å; G161-T408 WeakPolarHBondContact O-CG2 3.27Å |
| 162 | E | 63.3 | Low | 75.5 | Confident | 96 Ų | 96 | 29.4 Ų | 29.4 | 45% | 0.449 | 16% | 0.156 | S | C | . | . | trans | -95.3 | 106.5 | 174.4 | -63.2 | -177.2 | 168.1 | 0 | 0 | 109.6 | S157 D160 S164 K166 | S157-E162 PolarHBondContact N-O 3.03Å; D160-E162 PolarHBondContact O-N 3.41Å; D160-E162 WeakPolarHBondContact OD1-CB 3.35Å; D160-E162 PolarHBondContact OD1-N 3.33Å; E162-S164 PolarHBondContact O-N 2.91Å; E162-K166 WeakPolarHBondContact OE2-CE 3.48Å; E162-K166 IonicContact OE2-NZ 3.79Å; E162-K166 PolarHBondContact OE2-NZ 3.13Å | ||
| 163 | N | 59.1 | Low | 74.6 | Confident | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | trans | -72.8 | 13.2 | 174.7 | -67 | 21.2 | 0 | 0 | 0 | 113.2 | S157 N414 E1048 | S157-N163 VanDerWaalsContact CB-OD1 3.26Å; S157-N163 WeakPolarHBondContact CB-OD1 3.49Å; N163-N414 WeakPolarHBondContact ND2-CB 3.43Å; N163-E1048 PolarHBondContact ND2-OE1 3.36Å; N163-E1048 PolarHBondContact OD1-OE1 2.84Å; N163-E1048 PolarHBondContact OD1-OE2 3.26Å; N163-E1048 VanDerWaalsContact OD1-OE2 3.11Å | ||
| 164 | S | 67.7 | Low | 73.7 | Confident | 41 Ų | 41 | 29 Ų | 29 | 29% | 0.287 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -82.8 | 130.5 | 170.9 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | E162 K166 E698 | E162-S164 PolarHBondContact O-N 2.91Å; S164-K166 PolarHBondContact O-N 2.98Å; S164-E698 CarbonylContact C-O 3.47Å; S164-E698 WeakPolarHBondContact CA-O 3.45Å; S164-E698 VanDerWaalsContact CB-O 3.24Å; S164-E698 WeakPolarHBondContact CB-O 3.19Å |
| 165 | L | 76.1 | Confident | 72.2 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.4 | 178.2 | -55.6 | -175.4 | 0 | 0 | 0 | 109.8 | Y153 E155 R249 N250 A697 E698 | Y153-L165 HydrophobicContact CD1-CB 4.29Å; E155-L165 HydrophobicContact CB-CD2 3.86Å; E155-L165 HydrophobicContact CG-CD2 4.03Å; L165-R249 HydrophobicContact CD1-CB 3.88Å; L165-R249 HydrophobicContact CD2-CB 3.77Å; L165-R249 HydrophobicContact CD2-CG 3.69Å; L165-R249 HydrophobicContact CG-CB 4.44Å; L165-N250 WeakPolarHBondContact CD1-ND2 3.39Å; L165-N250 VanDerWaalsContact CD1-OD1 3.27Å; L165-N250 WeakPolarHBondContact CD1-OD1 3.35Å; L165-A697 VanDerWaalsContact CD1-O 3.3Å; L165-A697 WeakPolarHBondContact CD1-O 3.38Å; L165-A697 WeakPolarHBondContact CG-O 3.17Å; L165-E698 PolarHBondContact N-O 3.37Å; L165-E698 WeakPolarHBondContact O-CG 3.31Å |
| 166 | K | 81.3 | Confident | 70.7 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.9 | -175.8 | -59.5 | -173 | -176.8 | 170 | 0 | 109.8 | V154 T156 D160 E162 S164 | V154-K166 HydrophobicContact CG2-CB 4.44Å; V154-K166 PolarHBondContact N-O 3.21Å; V154-K166 PolarHBondContact O-N 3.24Å; T156-K166 HydrophobicContact CG2-CB 4.5Å; T156-K166 HydrophobicContact CG2-CD 3.87Å; T156-K166 HydrophobicContact CG2-CG 4.31Å; T156-K166 VanDerWaalsContact OG1-CD 3.32Å; T156-K166 WeakPolarHBondContact OG1-CD 3.44Å; T156-K166 WeakPolarHBondContact OG1-CE 3.25Å; T156-K166 PolarHBondContact OG1-NZ 3.33Å; D160-K166 IonicContact OD1-NZ 3.83Å; D160-K166 PolarHBondContact OD1-NZ 2.88Å; D160-K166 IonicContact OD2-NZ 3.7Å; D160-K166 PolarHBondContact OD2-NZ 3.12Å; E162-K166 WeakPolarHBondContact OE2-CE 3.48Å; E162-K166 IonicContact OE2-NZ 3.79Å; E162-K166 PolarHBondContact OE2-NZ 3.13Å; S164-K166 PolarHBondContact O-N 2.98Å |
| 167 | P | 85.4 | Confident | 69.3 | Low | 60 Ų | 60 | 42.3 Ų | 42.3 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 147.8 | 176.6 | 27.7 | -33.9 | 0 | 0 | 0 | 111.1 | T151 C152 Y153 | T151-P167 HydrophobicContact CG2-CB 4.12Å; C152-P167 CarbonylContact O-C 3.56Å; C152-P167 WeakPolarHBondContact O-CA 3.27Å; Y153-P167 HydrophobicContact CD1-CB 4.29Å; Y153-P167 HydrophobicContact CE1-CB 4.05Å |
| 168 | R | 88.8 | Confident | 68.2 | Low | 25 Ų | 25 | 44.8 Ų | 44.8 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.1 | 178 | -57.6 | -67.3 | 175.7 | 177.8 | 0.1 | 109.1 | L142 T151 C152 V154 K238 E239 L241 I242 | L142-R168 HydrophobicContact CD2-CB 3.91Å; T151-R168 CarbonylContact C-O 3.3Å; T151-R168 VanDerWaalsContact CA-O 3.26Å; T151-R168 WeakPolarHBondContact CA-O 3.31Å; T151-R168 VanDerWaalsContact CG2-O 3.26Å; T151-R168 WeakPolarHBondContact CG2-O 3.31Å; C152-R168 PolarHBondContact N-O 2.94Å; C152-R168 PolarHBondContact O-N 3.36Å; V154-R168 HydrophobicContact CG1-CG 4.5Å; V154-R168 HydrophobicContact CG2-CG 3.82Å; R168-K238 PolarHBondContact NH1-O 3.35Å; R168-E239 CarbonylContact C-O 3.46Å; R168-E239 VanDerWaalsContact CA-O 3.23Å; R168-E239 WeakPolarHBondContact CA-O 3.37Å; R168-E239 WeakPolarHBondContact CB-O 3.32Å; R168-E239 WeakPolarHBondContact CD-O 3.5Å; R168-L241 WeakPolarHBondContact CD-O 3.46Å; R168-L241 PolarHBondContact NH1-O 3.22Å; R168-I242 HydrophobicContact CG-CG1 4.1Å |
| 169 | Q | 88.7 | Confident | 66.8 | Low | 108 Ų | 108 | 47.5 Ų | 47.5 | 51% | 0.505 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.4 | -178.1 | -73.5 | -165.8 | -8.7 | 0 | 0 | 112.9 | T151 E239 S240 | T151-Q169 HydrophobicContact CG2-CG 4.35Å; Q169-E239 PolarHBondContact N-O 2.69Å; Q169-S240 WeakPolarHBondContact O-CA 3.44Å |
| 170 | V | 89.2 | Confident | 65.3 | Low | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | trans | -59.9 | 137.4 | 168.4 | 166.6 | 0 | 0 | 0 | 0 | 109.9 | L142 L143 G150 S172 F174 A175 | L142-V170 HydrophobicContact CD1-CG2 4.35Å; L142-V170 HydrophobicContact CD2-CG2 4.23Å; L142-V170 HydrophobicContact CG-CG2 3.84Å; L143-V170 VanDerWaalsContact O-CG1 3.26Å; L143-V170 WeakPolarHBondContact O-CG1 3.22Å; G150-V170 WeakPolarHBondContact O-CB 3.38Å; G150-V170 VanDerWaalsContact O-CG2 3.25Å; G150-V170 WeakPolarHBondContact O-CG2 3.16Å; G150-V170 PolarHBondContact O-N 3.14Å; V170-S172 PolarHBondContact O-N 3.49Å; V170-F174 HydrophobicContact CG1-CB 3.78Å; V170-A175 HydrophobicContact CG1-CB 4.44Å | ||
| 171 | V | 84.2 | Confident | 64 | Low | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | trans | -48.5 | 131.2 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | L141 L142 S173 F174 A175 L226 E234 L236 | L141-V171 HydrophobicContact CD1-CG2 4.03Å; L141-V171 HydrophobicContact CD2-CG2 4.22Å; L141-V171 HydrophobicContact CG-CG2 4.05Å; L142-V171 PolarHBondContact O-N 3.24Å; V171-S173 VanDerWaalsContact C-N 3.32Å; V171-S173 PolarHBondContact O-N 3.36Å; V171-S173 VanDerWaalsContact O-N 3.12Å; V171-F174 HydrophobicContact CB-CD2 4.25Å; V171-F174 HydrophobicContact CG1-CD2 4.45Å; V171-F174 PolarHBondContact O-N 3.41Å; V171-A175 PolarHBondContact O-N 3.04Å; V171-L226 HydrophobicContact CG1-CD2 4.04Å; V171-E234 HydrophobicContact CG1-CG 4.38Å; V171-E234 WeakPolarHBondContact CG1-OE1 3.46Å; V171-L236 HydrophobicContact CB-CD2 4.36Å; V171-L236 HydrophobicContact CG1-CD2 3.72Å; V171-L236 HydrophobicContact CG2-CD2 3.65Å | ||
| 172 | S | 74.2 | Confident | 63.1 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.2 | -32.9 | -156.2 | 84.2 | 0 | 0 | 0 | 0 | 114.9 | V170 F174 A175 K176 E234 | V170-S172 PolarHBondContact O-N 3.49Å; S172-F174 PolarHBondContact O-N 3.31Å; S172-A175 PolarHBondContact O-N 3.29Å; S172-K176 WeakPolarHBondContact O-CG 3.48Å; S172-K176 PolarHBondContact O-N 2.81Å; S172-K176 VanDerWaalsContact O-N 3.13Å; S172-E234 WeakPolarHBondContact CA-OE1 3.4Å; S172-E234 WeakPolarHBondContact CB-OE1 3.27Å; S172-E234 PolarHBondContact N-OE1 3.33Å; S172-E234 PolarHBondContact OG-OE1 3.28Å |
| 173 | S | 69.6 | Low | 61.5 | Low | 32 Ų | 32 | 72.5 Ų | 72.5 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -25.9 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | V171 H228 E234 | V171-S173 VanDerWaalsContact C-N 3.32Å; V171-S173 PolarHBondContact O-N 3.36Å; V171-S173 VanDerWaalsContact O-N 3.12Å; S173-H228 PolarHBondContact OG-NE2 3.43Å; S173-E234 WeakPolarHBondContact CB-OE2 3.38Å; S173-E234 PolarHBondContact N-OE1 3.32Å; S173-E234 PolarHBondContact OG-OE1 3.42Å; S173-E234 PolarHBondContact OG-OE2 2.84Å |
| 174 | F | 68 | Low | 60.5 | Low | 29 Ų | 29 | 74.5 Ų | 74.5 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -88.2 | -39.3 | 174.4 | -62.1 | -79.8 | 0 | 0 | 0 | 111.5 | V170 V171 S172 K176 K177 V178 F201 F206 L226 | V170-F174 HydrophobicContact CG1-CB 3.78Å; V171-F174 HydrophobicContact CB-CD2 4.25Å; V171-F174 HydrophobicContact CG1-CD2 4.45Å; V171-F174 PolarHBondContact O-N 3.41Å; S172-F174 PolarHBondContact O-N 3.31Å; F174-K176 PolarHBondContact O-N 2.86Å; F174-K177 PolarHBondContact O-N 2.78Å; F174-V178 PolarHBondContact O-N 2.98Å; F174-F201 HydrophobicContact CD1-CD2 4.07Å; F174-F201 AromaticContact CD1-CE2 3.98Å; F174-F201 HydrophobicContact CD1-CE2 3.98Å; F174-F201 HydrophobicContact CE1-CE2 4.09Å; F174-F206 HydrophobicContact CE1-CD2 4.12Å; F174-F206 HydrophobicContact CE1-CE2 4.43Å; F174-F206 HydrophobicContact CE2-CD2 4.32Å; F174-F206 AromaticContact CE2-CE2 3.82Å; F174-F206 HydrophobicContact CE2-CE2 3.82Å; F174-F206 AromaticContact CZ-CD2 3.63Å; F174-F206 HydrophobicContact CZ-CD2 3.63Å; F174-F206 AromaticContact CZ-CE2 3.55Å; F174-F206 HydrophobicContact CZ-CE2 3.55Å; F174-L226 HydrophobicContact CE2-CD2 3.72Å; F174-L226 HydrophobicContact CZ-CD2 4.5Å |
| 175 | A | 56.3 | Low | 59 | Low | 19 Ų | 19 | 79.7 Ų | 79.7 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54.3 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V170 V171 S172 K177 V178 C179 | V170-A175 HydrophobicContact CG1-CB 4.44Å; V171-A175 PolarHBondContact O-N 3.04Å; S172-A175 PolarHBondContact O-N 3.29Å; A175-K177 PolarHBondContact O-N 3.09Å; A175-K177 VanDerWaalsContact O-N 3.14Å; A175-V178 PolarHBondContact O-N 3.02Å; A175-C179 PolarHBondContact O-N 3.15Å; A175-C179 PolarHBondContact O-SG 3.04Å; A175-C179 VanDerWaalsContact O-SG 3.41Å |
| 176 | K | 49 | Very low | 57 | Low | 145 Ų | 145 | 82.4 Ų | 82.4 | 63% | 0.63 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.3 | -22.8 | 175.4 | -73.4 | 176.6 | -175.3 | 172.5 | 0 | 114.7 | S172 F174 F180 | S172-K176 WeakPolarHBondContact O-CG 3.48Å; S172-K176 PolarHBondContact O-N 2.81Å; S172-K176 VanDerWaalsContact O-N 3.13Å; F174-K176 PolarHBondContact O-N 2.86Å; K176-F180 WeakPolarHBondContact O-CD2 3.22Å |
| 177 | K | 47.8 | Very low | 55 | Low | 142 Ų | 142 | 85.1 Ų | 85.1 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -83.9 | -24.1 | 173.9 | -68.2 | -177.5 | 178.1 | 176.9 | 0 | 112.8 | F174 A175 N198 | F174-K177 PolarHBondContact O-N 2.78Å; A175-K177 PolarHBondContact O-N 3.09Å; A175-K177 VanDerWaalsContact O-N 3.14Å; K177-N198 PolarHBondContact O-ND2 2.68Å |
| 178 | V | 41.1 | Very low | 52.5 | Low | 53 Ų | 53 | 87.7 Ų | 87.7 | 32% | 0.321 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -87.2 | -41.1 | -179.1 | -176 | 0 | 0 | 0 | 0 | 111.7 | F174 A175 F180 | F174-V178 PolarHBondContact O-N 2.98Å; A175-V178 PolarHBondContact O-N 3.02Å; V178-F180 PolarHBondContact O-N 3.33Å |
| 179 | C | 34.4 | Very low | 50.1 | Low | 64 Ų | 64 | 91.2 Ų | 91.2 | 43% | 0.432 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -79.2 | -3.5 | -165.2 | -62.7 | 0 | 0 | 0 | 0 | 117.1 | R148 A175 P181 | R148-C179 PolarHBondContact O-SG 3.04Å; A175-C179 PolarHBondContact O-N 3.15Å; A175-C179 PolarHBondContact O-SG 3.04Å; A175-C179 VanDerWaalsContact O-SG 3.41Å; C179-P181 VanDerWaalsContact O-CD 3.27Å; C179-P181 WeakPolarHBondContact O-CD 3.42Å |
| 180 | F | 33.6 | Very low | 48 | Very low | 149 Ų | 149 | 95.2 Ų | 95.2 | 65% | 0.654 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -85.1 | 112.5 | 177.2 | -80.7 | -73 | 0 | 0 | 0 | 112.3 | K176 V178 K182 | K176-F180 WeakPolarHBondContact O-CD2 3.22Å; V178-F180 PolarHBondContact O-N 3.33Å; F180-K182 PolarHBondContact O-N 3.33Å; F180-K182 VanDerWaalsContact O-N 3.15Å |
| 181 | P | 33.9 | Very low | 45.8 | Very low | 113 Ų | 113 | 102.6 Ų | 102.6 | 73% | 0.734 | 52% | 0.523 | S | S | * | . | trans | -79.7 | 102.9 | -174.5 | 31.7 | -34.6 | 0 | 0 | 0 | 111.9 | C179 K183 | C179-P181 VanDerWaalsContact O-CD 3.27Å; C179-P181 WeakPolarHBondContact O-CD 3.42Å; P181-K183 PolarHBondContact O-N 3Å | ||
| 182 | K | 32.7 | Very low | 43.3 | Very low | 210 Ų | 210 | 109.6 Ų | 109.6 | 91% | 0.913 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 40.9 | 36.1 | 162.8 | -73.7 | -166.5 | 174.9 | -174.5 | 0 | 117 | F180 V184 | F180-K182 PolarHBondContact O-N 3.33Å; F180-K182 VanDerWaalsContact O-N 3.15Å; K182-V184 PolarHBondContact O-N 2.85Å |
| 183 | K | 31.5 | Very low | 41.5 | Very low | 181 Ų | 181 | 112.1 Ų | 112.1 | 79% | 0.787 | 56% | 0.563 | S | S | * | * | trans | -79.6 | 103.6 | 160.7 | -84.8 | -168.4 | 172.6 | -176.5 | 0 | 108.2 | P181 F185 | P181-K183 PolarHBondContact O-N 3Å; K183-F185 PolarHBondContact O-N 3.24Å | ||
| 184 | V | 36.6 | Very low | 39.8 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 51% | 0.509 | 59% | 0.587 | S | S | . | * | trans | -65.6 | 105.2 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | K182 C186 C195 | K182-V184 PolarHBondContact O-N 2.85Å; V184-C186 VanDerWaalsContact C-N 3.34Å; V184-C186 PolarHBondContact O-N 2.96Å; V184-C195 HydrophobicContact CG1-CB 3.66Å | ||
| 185 | F | 36.8 | Very low | 38.1 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 66% | 0.658 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 90.8 | 171.1 | -115.8 | -88.1 | 0 | 0 | 0 | 108.7 | K183 I187 | K183-F185 PolarHBondContact O-N 3.24Å; F185-I187 VanDerWaalsContact C-N 3.35Å; F185-I187 HydrophobicContact CD1-CG1 4.25Å; F185-I187 PolarHBondContact O-N 3.43Å |
| 186 | C | 34.4 | Very low | 37 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 46% | 0.459 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 87.1 | 170 | -69.6 | 0 | 0 | 0 | 0 | 109.5 | V184 I193 | V184-C186 VanDerWaalsContact C-N 3.34Å; V184-C186 PolarHBondContact O-N 2.96Å; C186-I193 HydrophobicContact CB-CG2 3.78Å; C186-I193 VanDerWaalsContact SG-CG2 3.57Å |
| 187 | I | 38.3 | Very low | 36.3 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 45% | 0.446 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.5 | 168.5 | -50 | 173.4 | 0 | 0 | 0 | 107.2 | F185 V189 K194 I196 | F185-I187 VanDerWaalsContact C-N 3.35Å; F185-I187 HydrophobicContact CD1-CG1 4.25Å; F185-I187 PolarHBondContact O-N 3.43Å; I187-V189 HydrophobicContact CG2-CG2 3.83Å; I187-K194 PolarHBondContact O-N 3.42Å; I187-I196 HydrophobicContact CD1-CD1 4.43Å |
| 188 | I | 34.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 59% | 0.585 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83 | 121.6 | 172.1 | -57.7 | 177.1 | 0 | 0 | 0 | 107.7 | I193 | I188-I193 HydrophobicContact CG1-CG1 4.17Å |
| 189 | V | 37.5 | Very low | 36.8 | Very low | 99 Ų | 99 | 127 Ų | 127 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -134 | 113.5 | 173 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | I187 Q192 | I187-V189 HydrophobicContact CG2-CG2 3.83Å; V189-Q192 PolarHBondContact N-O 3.27Å |
| 190 | K | 43.8 | Very low | 38.2 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 84% | 0.839 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.1 | 60.1 | -172.4 | -58.4 | -174.2 | 178.1 | -173 | 0 | 112.3 | Q192 | K190-Q192 PolarHBondContact O-N 3.11Š|
| 191 | D | 44.6 | Very low | 40.2 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57 | 13.5 | 171.2 | -50.2 | -38 | 0 | 0 | 0 | 117.1 | ||
| 192 | Q | 31.4 | Very low | 42.5 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 71% | 0.71 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 131 | 170.3 | -64.5 | -161.1 | -4.9 | 0 | 0 | 111.7 | V189 K190 K194 | V189-Q192 PolarHBondContact N-O 3.27Å; K190-Q192 PolarHBondContact O-N 3.11Å; Q192-K194 PolarHBondContact O-N 3.16Å |
| 193 | I | 36.3 | Very low | 44.9 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 109.3 | 173.3 | -64.2 | 171.9 | 0 | 0 | 0 | 108.1 | C186 I188 | C186-I193 HydrophobicContact CB-CG2 3.78Å; C186-I193 VanDerWaalsContact SG-CG2 3.57Å; I188-I193 HydrophobicContact CG1-CG1 4.17Å |
| 194 | K | 33.2 | Very low | 47.3 | Very low | 166 Ų | 166 | 105 Ų | 105 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 96.4 | 177.7 | -150 | 171.5 | -170.5 | 176.5 | 0 | 110.7 | I187 Q192 I196 | I187-K194 PolarHBondContact O-N 3.42Å; Q192-K194 PolarHBondContact O-N 3.16Å; K194-I196 PolarHBondContact O-N 2.92Å; K194-I196 VanDerWaalsContact O-N 3.1Å |
| 195 | C | 32.3 | Very low | 49.4 | Very low | 73 Ų | 73 | 106.4 Ų | 106.4 | 49% | 0.493 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 100.6 | -179.5 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | V184 Q197 | V184-C195 HydrophobicContact CG1-CB 3.66Å; C195-Q197 PolarHBondContact O-N 2.96Å |
| 196 | I | 32.8 | Very low | 51.7 | Low | 102 Ų | 102 | 99.6 Ų | 99.6 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120 | 172 | -56.8 | 177.1 | 0 | 0 | 0 | 108.6 | I187 K194 | I187-I196 HydrophobicContact CD1-CD1 4.43Å; K194-I196 PolarHBondContact O-N 2.92Å; K194-I196 VanDerWaalsContact O-N 3.1Å |
| 197 | Q | 35.4 | Very low | 53.9 | Low | 162 Ų | 162 | 103.4 Ų | 103.4 | 76% | 0.757 | 52% | 0.52 | S | S | * | . | trans | -94.9 | 144.9 | 165.3 | -61.1 | -175.1 | 10.2 | 0 | 0 | 108.4 | C195 E199 | C195-Q197 PolarHBondContact O-N 2.96Å; Q197-E199 PolarHBondContact O-N 3.12Å; Q197-E199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | N | 45.6 | Very low | 56.1 | Low | 94 Ų | 94 | 99.9 Ų | 99.9 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | trans | -64.6 | 113.7 | 173.1 | -67.2 | 6.3 | 0 | 0 | 0 | 108.6 | K177 | K177-N198 PolarHBondContact O-ND2 2.68Š| ||
| 199 | E | 52.5 | Low | 58.7 | Low | 136 Ų | 136 | 98 Ų | 98 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -62 | 143.9 | 173.9 | -68.4 | -172.1 | 129.5 | 0 | 0 | 110.3 | Q197 K205 | Q197-E199 PolarHBondContact O-N 3.12Å; Q197-E199 VanDerWaalsContact O-N 3.09Å; E199-K205 IonicContact OE1-NZ 3.01Å; E199-K205 PolarHBondContact OE1-NZ 3.29Å; E199-K205 IonicContact OE2-NZ 2.82Å; E199-K205 PolarHBondContact OE2-NZ 3.04Å |
| 200 | P | 64.6 | Low | 61.3 | Low | 114 Ų | 114 | 94.4 Ų | 94.4 | 74% | 0.74 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 157 | 166.6 | 29.4 | -35.1 | 0 | 0 | 0 | 110.3 | D202 | P200-D202 PolarHBondContact O-N 2.83Å; P200-D202 VanDerWaalsContact O-N 3.09Å |
| 201 | F | 76.4 | Confident | 63.5 | Low | 40 Ų | 40 | 89.2 Ų | 89.2 | 18% | 0.175 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -58 | 116.4 | 175.5 | 178.2 | -96.9 | 0 | 0 | 0 | 110.5 | L143 N144 F174 P203 F206 | L143-F201 HydrophobicContact CB-CE1 4.39Å; L143-F201 HydrophobicContact CB-CE2 4.19Å; L143-F201 HydrophobicContact CB-CZ 3.81Å; L143-F201 HydrophobicContact CD1-CZ 4.03Å; N144-F201 HydrophobicContact CB-CB 3.94Å; N144-F201 HydrophobicContact CB-CD1 3.84Å; N144-F201 HydrophobicContact CB-CD2 4.42Å; N144-F201 HydrophobicContact CB-CE1 4.47Å; N144-F201 HydrophobicContact CB-CG 3.82Å; F174-F201 HydrophobicContact CD1-CD2 4.07Å; F174-F201 AromaticContact CD1-CE2 3.98Å; F174-F201 HydrophobicContact CD1-CE2 3.98Å; F174-F201 HydrophobicContact CE1-CE2 4.09Å; F201-P203 HydrophobicContact CE1-CB 3.96Å; F201-P203 WeakPolarHBondContact O-CD 3.47Å; F201-F206 HydrophobicContact CE2-CD2 4.32Å; F201-F206 HydrophobicContact CZ-CB 4.22Å; F201-F206 HydrophobicContact CZ-CD2 4.39Å; F201-F206 HydrophobicContact CZ-CG 4.42Å |
| 202 | D | 81.8 | Confident | 65.8 | Low | 63 Ų | 63 | 84.3 Ų | 84.3 | 34% | 0.337 | 43% | 0.428 | S | S | . | . | trans | -100.3 | 106.6 | 174.4 | -179.9 | -6.6 | 0 | 0 | 0 | 108.6 | P200 G204 K205 | P200-D202 PolarHBondContact O-N 2.83Å; P200-D202 VanDerWaalsContact O-N 3.09Å; D202-G204 PolarHBondContact O-N 3Å; D202-G204 VanDerWaalsContact O-N 3.15Å; D202-G204 WeakPolarHBondContact OD1-CA 3.34Å; D202-G204 PolarHBondContact OD1-N 2.89Å; D202-K205 HydrophobicContact CB-CB 4.32Å; D202-K205 HydrophobicContact CB-CD 3.86Å; D202-K205 HydrophobicContact CB-CG 3.98Å; D202-K205 PolarHBondContact O-N 2.79Å; D202-K205 VanDerWaalsContact OD2-CE 3.23Å; D202-K205 WeakPolarHBondContact OD2-CE 3.29Å; D202-K205 WeakPolarHBondContact OD2-CG 3.1Å; D202-K205 IonicContact OD2-NZ 3.91Å | ||
| 203 | P | 82.9 | Confident | 68.7 | Low | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.065 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -59.8 | -24.5 | 179.2 | 23.9 | -34.4 | 0 | 0 | 0 | 112.9 | H4 Y107 Y114 I127 F201 K205 F206 | H4-P203 PolarHBondContact CE1-O 2.71Å; H4-P203 PolarHBondContact NE2-O 3.37Å; Y107-P203 HydrophobicContact CD1-CB 4.03Å; Y107-P203 HydrophobicContact CD1-CG 4.17Å; Y107-P203 HydrophobicContact CD2-CB 4.21Å; Y107-P203 HydrophobicContact CD2-CG 3.52Å; Y107-P203 HydrophobicContact CE1-CB 4.24Å; Y107-P203 HydrophobicContact CE1-CG 4.18Å; Y107-P203 HydrophobicContact CE2-CB 4.41Å; Y107-P203 HydrophobicContact CE2-CG 3.53Å; Y107-P203 HydrophobicContact CG-CB 4.01Å; Y107-P203 HydrophobicContact CG-CG 3.85Å; Y114-P203 HydrophobicContact CE2-CG 4.49Å; I127-P203 HydrophobicContact CD1-CB 3.94Å; I127-P203 HydrophobicContact CG2-CB 4.16Å; F201-P203 HydrophobicContact CE1-CB 3.96Å; F201-P203 WeakPolarHBondContact O-CD 3.47Å; P203-K205 VanDerWaalsContact C-N 3.26Å; P203-K205 PolarHBondContact O-N 2.77Å; P203-F206 PolarHBondContact O-N 2.97Å |
| 204 | G | 81.3 | Confident | 71.3 | Confident | 27 Ų | 27 | 77.4 Ų | 77.4 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -74.1 | -10.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D202 | D202-G204 PolarHBondContact O-N 3Å; D202-G204 VanDerWaalsContact O-N 3.15Å; D202-G204 WeakPolarHBondContact OD1-CA 3.34Å; D202-G204 PolarHBondContact OD1-N 2.89Å |
| 205 | K | 81.8 | Confident | 74 | Confident | 114 Ų | 114 | 72.4 Ų | 72.4 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -93.7 | -10.2 | 171 | -65.1 | 176.7 | -171.8 | 162.9 | 0 | 112.6 | E199 D202 P203 R207 | E199-K205 IonicContact OE1-NZ 3.01Å; E199-K205 PolarHBondContact OE1-NZ 3.29Å; E199-K205 IonicContact OE2-NZ 2.82Å; E199-K205 PolarHBondContact OE2-NZ 3.04Å; D202-K205 HydrophobicContact CB-CB 4.32Å; D202-K205 HydrophobicContact CB-CD 3.86Å; D202-K205 HydrophobicContact CB-CG 3.98Å; D202-K205 PolarHBondContact O-N 2.79Å; D202-K205 VanDerWaalsContact OD2-CE 3.23Å; D202-K205 WeakPolarHBondContact OD2-CE 3.29Å; D202-K205 WeakPolarHBondContact OD2-CG 3.1Å; D202-K205 IonicContact OD2-NZ 3.91Å; P203-K205 VanDerWaalsContact C-N 3.26Å; P203-K205 PolarHBondContact O-N 2.77Å; K205-R207 PolarHBondContact O-N 2.96Å; K205-R207 VanDerWaalsContact O-N 3.13Å |
| 206 | F | 84.1 | Confident | 76.7 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | trans | -78.6 | 97.6 | -174.9 | -177.3 | -101.1 | 0 | 0 | 0 | 112.2 | P2 H4 I127 L143 F174 F201 P203 C208 L226 I257 | P2-F206 HydrophobicContact CB-CD1 4.21Å; P2-F206 HydrophobicContact CG-CD1 3.53Å; P2-F206 HydrophobicContact CG-CE1 3.63Å; P2-F206 WeakPolarHBondContact CG-O 3.4Å; H4-F206 PolarHBondContact CE1-O 3.29Å; H4-F206 PolarHBondContact NE2-O 2.88Å; I127-F206 HydrophobicContact CD1-CB 4.39Å; I127-F206 HydrophobicContact CD1-CD1 4.1Å; L143-F206 HydrophobicContact CD1-CD1 3.92Å; L143-F206 HydrophobicContact CD1-CD2 4.2Å; L143-F206 HydrophobicContact CD1-CE1 3.7Å; L143-F206 HydrophobicContact CD1-CE2 4Å; L143-F206 HydrophobicContact CD1-CG 4.17Å; L143-F206 HydrophobicContact CD1-CZ 3.74Å; L143-F206 HydrophobicContact CD2-CE1 4.44Å; L143-F206 HydrophobicContact CD2-CE2 3.79Å; L143-F206 HydrophobicContact CD2-CZ 3.68Å; L143-F206 HydrophobicContact CG-CZ 4.39Å; F174-F206 HydrophobicContact CE1-CD2 4.12Å; F174-F206 HydrophobicContact CE1-CE2 4.43Å; F174-F206 HydrophobicContact CE2-CD2 4.32Å; F174-F206 AromaticContact CE2-CE2 3.82Å; F174-F206 HydrophobicContact CE2-CE2 3.82Å; F174-F206 AromaticContact CZ-CD2 3.63Å; F174-F206 HydrophobicContact CZ-CD2 3.63Å; F174-F206 AromaticContact CZ-CE2 3.55Å; F174-F206 HydrophobicContact CZ-CE2 3.55Å; F201-F206 HydrophobicContact CE2-CD2 4.32Å; F201-F206 HydrophobicContact CZ-CB 4.22Å; F201-F206 HydrophobicContact CZ-CD2 4.39Å; F201-F206 HydrophobicContact CZ-CG 4.42Å; P203-F206 PolarHBondContact O-N 2.97Å; F206-C208 HydrophobicContact CE2-CB 3.95Å; F206-C208 HydrophobicContact CZ-CB 3.98Å; F206-L226 HydrophobicContact CE2-CD1 4.47Å; F206-L226 HydrophobicContact CZ-CD1 4.04Å; F206-I257 HydrophobicContact CE1-CD1 3.96Å; F206-I257 HydrophobicContact CE1-CG2 4.49Å | ||
| 207 | R | 81.9 | Confident | 78.8 | Confident | 149 Ų | 149 | 70.7 Ų | 70.7 | 56% | 0.562 | 38% | 0.375 | S | S | * | . | trans | -110.1 | 9.3 | -178.2 | -65 | -172.5 | 174 | -164.1 | -2.3 | 115.5 | T5 K205 | T5-R207 HydrophobicContact CG2-CG 4.16Å; K205-R207 PolarHBondContact O-N 2.96Å; K205-R207 VanDerWaalsContact O-N 3.13Å | ||
| 208 | C | 84.6 | Confident | 80.9 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 9% | 0.088 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 149.6 | -175.9 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | P2 F206 L226 L227 | P2-C208 WeakPolarHBondContact CD-O 3.28Å; F206-C208 HydrophobicContact CE2-CB 3.95Å; F206-C208 HydrophobicContact CZ-CB 3.98Å; C208-L226 HydrophobicContact CB-CD1 3.54Å; C208-L226 HydrophobicContact CB-CD2 4.25Å; C208-L226 HydrophobicContact CB-CG 3.9Å; C208-L227 WeakPolarHBondContact CA-O 3.37Å; C208-L227 WeakPolarHBondContact CB-O 3.43Å |
| 209 | L | 88.4 | Confident | 82.4 | Confident | 74 Ų | 74 | 65 Ų | 65 | 39% | 0.387 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.4 | 172.4 | 178.2 | 63.5 | 0 | 0 | 0 | 109.3 | M1 L227 | M1-L209 HydrophobicContact CB-CD1 4.19Å; L209-L227 HydrophobicContact CB-CB 4.35Å; L209-L227 PolarHBondContact N-O 3.34Å; L209-L227 VanDerWaalsContact N-O 3.08Å; L209-L227 PolarHBondContact O-N 3.14Å |
| 210 | V | 91 | Very high | 83.4 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.5 | 169.4 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | L141 L226 L236 I257 L259 | L141-V210 HydrophobicContact CD2-CG1 4.28Å; L141-V210 HydrophobicContact CD2-CG2 3.96Å; V210-L226 HydrophobicContact CG2-CD1 3.7Å; V210-L236 HydrophobicContact CG1-CD1 3.88Å; V210-I257 HydrophobicContact CG2-CG2 4.47Å; V210-L259 HydrophobicContact CB-CD2 4.35Å; V210-L259 HydrophobicContact CG1-CD2 3.83Å |
| 211 | E | 91.6 | Very high | 84.4 | Confident | 83 Ų | 83 | 66 Ų | 66 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 144.2 | 160.6 | -71.8 | 178 | -156.7 | 0 | 0 | 109.2 | G224 A225 L227 K233 | E211-G224 CarbonylContact O-C 3.54Å; E211-G224 VanDerWaalsContact O-CA 3.22Å; E211-G224 WeakPolarHBondContact O-CA 3.16Å; E211-A225 PolarHBondContact N-O 3.12Å; E211-A225 PolarHBondContact O-N 3.42Å; E211-L227 HydrophobicContact CB-CD1 4.43Å; E211-L227 HydrophobicContact CG-CD1 3.8Å; E211-L227 VanDerWaalsContact OE1-CD1 3.27Å; E211-L227 WeakPolarHBondContact OE1-CD1 3.05Å; E211-K233 IonicContact OE1-NZ 3.02Å; E211-K233 PolarHBondContact OE1-NZ 3.44Å; E211-K233 WeakPolarHBondContact OE2-CE 3.49Å; E211-K233 IonicContact OE2-NZ 3.4Å; E211-K233 PolarHBondContact OE2-NZ 2.77Å |
| 212 | C | 91.6 | Very high | 85 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160.9 | 176.7 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | F222 | C212-F222 HydrophobicContact CB-CE2 3.78Å; C212-F222 HydrophobicContact CB-CZ 3.83Å |
| 213 | E | 91.8 | Very high | 85.5 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 19% | 0.192 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 163.8 | 174.4 | 64.6 | -180 | -179.8 | 0 | 0 | 112.5 | N216 R221 F222 V223 Y260 | E213-N216 PolarHBondContact OE1-ND2 2.65Å; E213-R221 IonicContact OE2-NE 2.96Å; E213-R221 PolarHBondContact OE2-NE 3.03Å; E213-R221 IonicContact OE2-NH2 2.84Å; E213-F222 WeakPolarHBondContact OE1-CA 3.47Å; E213-V223 PolarHBondContact N-O 3.22Å; E213-Y260 PolarHBondContact O-OH 3.21Å |
| 214 | A | 91.6 | Very high | 85.9 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 147.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N216 | A214-N216 PolarHBondContact O-N 2.88Å; A214-N216 PolarHBondContact O-ND2 3.06Å; A214-N216 VanDerWaalsContact O-ND2 3.1Å |
| 215 | P | 89.4 | Confident | 86.4 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 126.8 | 178.2 | -27.5 | 34.5 | 0 | 0 | 0 | 112.5 | Y260 D264 L269 | P215-Y260 HydrophobicContact CG-CD1 3.93Å; P215-Y260 HydrophobicContact CG-CE1 4.01Å; P215-D264 HydrophobicContact CB-CB 4.29Å; P215-D264 HydrophobicContact CG-CB 4.19Å; P215-L269 HydrophobicContact CB-CD1 3.75Å |
| 216 | N | 88.9 | Confident | 86.8 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | trans | -141.7 | 160.3 | -171.3 | 65.9 | 72.2 | 0 | 0 | 0 | 112.9 | E213 A214 H218 K266 | E213-N216 PolarHBondContact OE1-ND2 2.65Å; A214-N216 PolarHBondContact O-N 2.88Å; A214-N216 PolarHBondContact O-ND2 3.06Å; A214-N216 VanDerWaalsContact O-ND2 3.1Å; N216-H218 VanDerWaalsContact C-N 3.32Å; N216-H218 PolarHBondContact O-N 2.91Å; N216-H218 PolarHBondContact OD1-N 2.73Å; N216-K266 PolarHBondContact OD1-NZ 3.35Å | ||
| 217 | Q | 78.6 | Confident | 87.1 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -76.9 | -12.3 | -173.3 | -62.7 | 171.6 | 7.9 | 0 | 0 | 114.1 | M219 L269 N270 | Q217-M219 PolarHBondContact O-N 2.88Å; Q217-L269 HydrophobicContact CG-CB 4.35Å; Q217-N270 PolarHBondContact O-ND2 2.72Å; Q217-N270 PolarHBondContact O-OD1 2.86Å |
| 218 | H | 79.1 | Confident | 87.2 | Confident | 115 Ų | 115 | 55.6 Ų | 55.6 | 53% | 0.532 | 29% | 0.291 | S | S | . | . | trans | -80.6 | 102.1 | -172.9 | -60.1 | -59.2 | 0 | 0 | 0 | 111.1 | N216 Y220 R221 K266 | N216-H218 VanDerWaalsContact C-N 3.32Å; N216-H218 PolarHBondContact O-N 2.91Å; N216-H218 PolarHBondContact OD1-N 2.73Å; H218-Y220 PolarHBondContact O-N 2.84Å; H218-R221 HydrophobicContact CB-CB 3.81Å; H218-R221 PolarHBondContact O-N 2.92Å; H218-K266 PolarHBondContact O-NZ 3.15Å | ||
| 219 | M | 76.2 | Confident | 86.8 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -50.1 | -177.7 | -72.8 | 179.2 | 169.1 | 0 | 0 | 113.1 | L159 Q217 R221 I243 | L159-M219 HydrophobicContact CD2-CE 4.45Å; Q217-M219 PolarHBondContact O-N 2.88Å; M219-R221 PolarHBondContact O-N 2.86Å; M219-I243 HydrophobicContact CB-CD1 4.44Å; M219-I243 WeakPolarHBondContact O-CD1 3.42Å |
| 220 | Y | 74.6 | Confident | 86.4 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 50% | 0.502 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.7 | -173.9 | -52.7 | -60.9 | 0 | 0 | 0 | 115.5 | D160 H218 | D160-Y220 VanDerWaalsContact CB-OH 3.29Å; D160-Y220 WeakPolarHBondContact CB-OH 3.32Å; D160-Y220 PolarHBondContact OD2-OH 3.36Å; H218-Y220 PolarHBondContact O-N 2.84Å |
| 221 | R | 84.4 | Confident | 85.8 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | trans | -105.3 | 127.4 | 175.3 | 175.9 | 179.3 | 168.7 | 142.5 | 2 | 109.5 | E213 H218 M219 K266 | E213-R221 IonicContact OE2-NE 2.96Å; E213-R221 PolarHBondContact OE2-NE 3.03Å; E213-R221 IonicContact OE2-NH2 2.84Å; H218-R221 HydrophobicContact CB-CB 3.81Å; H218-R221 PolarHBondContact O-N 2.92Å; M219-R221 PolarHBondContact O-N 2.86Å; R221-K266 WeakPolarHBondContact O-CE 3.36Å; R221-K266 PolarHBondContact O-NZ 3.31Å | ||
| 222 | F | 90.5 | Very high | 85.3 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 4% | 0.044 | 37% | 0.367 | C | S | . | . | trans | -146.9 | 137.7 | 165.7 | 177.5 | -106.2 | 0 | 0 | 0 | 108.5 | C212 E213 L236 D237 L241 L259 Y260 | C212-F222 HydrophobicContact CB-CE2 3.78Å; C212-F222 HydrophobicContact CB-CZ 3.83Å; E213-F222 WeakPolarHBondContact OE1-CA 3.47Å; F222-L236 HydrophobicContact CE1-CB 3.92Å; F222-D237 WeakPolarHBondContact CD1-O 3.39Å; F222-L241 HydrophobicContact CB-CD2 3.78Å; F222-L241 HydrophobicContact CD1-CB 4.31Å; F222-L241 HydrophobicContact CD2-CD1 4.47Å; F222-L241 HydrophobicContact CD2-CD2 3.99Å; F222-L241 HydrophobicContact CG-CB 4.4Å; F222-L241 HydrophobicContact CG-CD2 3.86Å; F222-L259 HydrophobicContact CE1-CD1 4.35Å; F222-L259 HydrophobicContact CE2-CD1 3.74Å; F222-L259 HydrophobicContact CZ-CD1 3.42Å; F222-L259 VanDerWaalsContact CZ-CD1 3.42Å; F222-Y260 HydrophobicContact CD2-CE2 4.48Å; F222-Y260 HydrophobicContact CE2-CE2 4.3Å | ||
| 223 | V | 91.7 | Very high | 85 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | trans | -135.3 | 128.3 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | E213 | E213-V223 PolarHBondContact N-O 3.22Š| ||
| 224 | G | 91.9 | Very high | 84.8 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | -173.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E211 L236 | E211-G224 CarbonylContact O-C 3.54Å; E211-G224 VanDerWaalsContact O-CA 3.22Å; E211-G224 WeakPolarHBondContact O-CA 3.16Å; G224-L236 PolarHBondContact N-O 2.82Å; G224-L236 PolarHBondContact O-N 2.87Å |
| 225 | A | 91.5 | Very high | 84.7 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 142.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E211 K233 E234 | E211-A225 PolarHBondContact N-O 3.12Å; E211-A225 PolarHBondContact O-N 3.42Å; A225-K233 HydrophobicContact CB-CD 4.31Å; A225-K233 HydrophobicContact CB-CG 3.68Å; A225-E234 CarbonylContact C-O 3.55Å; A225-E234 WeakPolarHBondContact CA-O 3.39Å |
| 226 | L | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.7 | 169.3 | -172 | 75.1 | 0 | 0 | 0 | 108.9 | V171 F174 F206 C208 V210 K233 E234 L236 | V171-L226 HydrophobicContact CG1-CD2 4.04Å; F174-L226 HydrophobicContact CE2-CD2 3.72Å; F174-L226 HydrophobicContact CZ-CD2 4.5Å; F206-L226 HydrophobicContact CE2-CD1 4.47Å; F206-L226 HydrophobicContact CZ-CD1 4.04Å; C208-L226 HydrophobicContact CB-CD1 3.54Å; C208-L226 HydrophobicContact CB-CD2 4.25Å; C208-L226 HydrophobicContact CB-CG 3.9Å; V210-L226 HydrophobicContact CG2-CD1 3.7Å; L226-K233 WeakPolarHBondContact O-CA 3.47Å; L226-E234 HydrophobicContact CB-CB 4.32Å; L226-E234 PolarHBondContact N-O 3.34Å; L226-E234 PolarHBondContact O-N 3.03Å; L226-L236 HydrophobicContact CB-CD1 4.2Å; L226-L236 HydrophobicContact CB-CD2 4.19Å; L226-L236 HydrophobicContact CB-CG 4.35Å |
| 227 | L | 89.5 | Confident | 84.7 | Confident | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.3 | 167.8 | -71.6 | 91.6 | 0 | 0 | 0 | 109.6 | C208 L209 E211 K233 | C208-L227 WeakPolarHBondContact CA-O 3.37Å; C208-L227 WeakPolarHBondContact CB-O 3.43Å; L209-L227 HydrophobicContact CB-CB 4.35Å; L209-L227 PolarHBondContact N-O 3.34Å; L209-L227 VanDerWaalsContact N-O 3.08Å; L209-L227 PolarHBondContact O-N 3.14Å; E211-L227 HydrophobicContact CB-CD1 4.43Å; E211-L227 HydrophobicContact CG-CD1 3.8Å; E211-L227 VanDerWaalsContact OE1-CD1 3.27Å; E211-L227 WeakPolarHBondContact OE1-CD1 3.05Å; L227-K233 HydrophobicContact CD1-CD 4.06Å; L227-K233 HydrophobicContact CD1-CG 4.24Å; L227-K233 HydrophobicContact CD2-CD 4.29Å; L227-K233 HydrophobicContact CG-CB 4.45Å; L227-K233 HydrophobicContact CG-CD 4.02Å; L227-K233 HydrophobicContact CG-CG 4.06Å |
| 228 | H | 83.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | trans | -77.2 | 161.6 | 167.1 | -66.2 | -91.7 | 0 | 0 | 0 | 110.2 | S173 D230 G231 Y232 E234 | S173-H228 PolarHBondContact OG-NE2 3.43Å; H228-D230 PolarHBondContact O-N 3.23Å; H228-G231 PolarHBondContact O-N 3.21Å; H228-G231 VanDerWaalsContact O-N 3.17Å; H228-Y232 AromaticContact CD2-CD1 3.69Å; H228-Y232 PolarHBondContact N-O 3.21Å; H228-E234 IonicContact CD2-OE2 3.65Å; H228-E234 IonicContact CE1-OE2 3.3Å; H228-E234 IonicContact NE2-OE2 2.9Å; H228-E234 PolarHBondContact NE2-OE2 2.88Å | ||
| 229 | Q | 78.1 | Confident | 85.6 | Confident | 149 Ų | 149 | 69.1 Ų | 69.1 | 70% | 0.696 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.6 | -179.9 | -56.6 | -165.2 | -68.3 | 0 | 0 | 112 | G231 | Q229-G231 PolarHBondContact O-N 3.26Å; Q229-G231 VanDerWaalsContact O-N 3.15Å |
| 230 | D | 79.4 | Confident | 86.3 | Confident | 148 Ų | 148 | 68.3 Ų | 68.3 | 79% | 0.791 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 2.1 | 179 | -42.2 | 5.7 | 0 | 0 | 0 | 113.2 | H228 Y232 | H228-D230 PolarHBondContact O-N 3.23Å; D230-Y232 PolarHBondContact O-N 2.92Å |
| 231 | G | 77.5 | Confident | 87.2 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 79.4 | -10.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H228 Q229 K233 | H228-G231 PolarHBondContact O-N 3.21Å; H228-G231 VanDerWaalsContact O-N 3.17Å; Q229-G231 PolarHBondContact O-N 3.26Å; Q229-G231 VanDerWaalsContact O-N 3.15Å; G231-K233 PolarHBondContact O-N 2.88Å |
| 232 | Y | 82.5 | Confident | 87.6 | Confident | 133 Ų | 133 | 55.6 Ų | 55.6 | 52% | 0.522 | 30% | 0.296 | S | S | . | . | trans | -62.7 | 129.6 | 174.7 | 178.7 | -112.9 | 0 | 0 | 0 | 111.3 | H228 D230 E234 | H228-Y232 AromaticContact CD2-CD1 3.69Å; H228-Y232 PolarHBondContact N-O 3.21Å; D230-Y232 PolarHBondContact O-N 2.92Å; Y232-E234 HydrophobicContact CD1-CB 4.31Å; Y232-E234 HydrophobicContact CE1-CB 3.72Å; Y232-E234 HydrophobicContact CE1-CG 4.27Å | ||
| 233 | K | 85.5 | Confident | 87.6 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 96.6 | -174.8 | -169 | 159.7 | -176.3 | 162.1 | 0 | 109.6 | E211 A225 L226 L227 G231 | E211-K233 IonicContact OE1-NZ 3.02Å; E211-K233 PolarHBondContact OE1-NZ 3.44Å; E211-K233 WeakPolarHBondContact OE2-CE 3.49Å; E211-K233 IonicContact OE2-NZ 3.4Å; E211-K233 PolarHBondContact OE2-NZ 2.77Å; A225-K233 HydrophobicContact CB-CD 4.31Å; A225-K233 HydrophobicContact CB-CG 3.68Å; L226-K233 WeakPolarHBondContact O-CA 3.47Å; L227-K233 HydrophobicContact CD1-CD 4.06Å; L227-K233 HydrophobicContact CD1-CG 4.24Å; L227-K233 HydrophobicContact CD2-CD 4.29Å; L227-K233 HydrophobicContact CG-CB 4.45Å; L227-K233 HydrophobicContact CG-CD 4.02Å; L227-K233 HydrophobicContact CG-CG 4.06Å; G231-K233 PolarHBondContact O-N 2.88Å |
| 234 | E | 86 | Confident | 87.4 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125 | -176.1 | -177.4 | 174.1 | -172.2 | 0 | 0 | 110.4 | V171 S172 S173 A225 L226 H228 Y232 | V171-E234 HydrophobicContact CG1-CG 4.38Å; V171-E234 WeakPolarHBondContact CG1-OE1 3.46Å; S172-E234 WeakPolarHBondContact CA-OE1 3.4Å; S172-E234 WeakPolarHBondContact CB-OE1 3.27Å; S172-E234 PolarHBondContact N-OE1 3.33Å; S172-E234 PolarHBondContact OG-OE1 3.28Å; S173-E234 WeakPolarHBondContact CB-OE2 3.38Å; S173-E234 PolarHBondContact N-OE1 3.32Å; S173-E234 PolarHBondContact OG-OE1 3.42Å; S173-E234 PolarHBondContact OG-OE2 2.84Å; A225-E234 CarbonylContact C-O 3.55Å; A225-E234 WeakPolarHBondContact CA-O 3.39Å; L226-E234 HydrophobicContact CB-CB 4.32Å; L226-E234 PolarHBondContact N-O 3.34Å; L226-E234 PolarHBondContact O-N 3.03Å; H228-E234 IonicContact CD2-OE2 3.65Å; H228-E234 IonicContact CE1-OE2 3.3Å; H228-E234 IonicContact NE2-OE2 2.9Å; H228-E234 PolarHBondContact NE2-OE2 2.88Å; Y232-E234 HydrophobicContact CD1-CB 4.31Å; Y232-E234 HydrophobicContact CE1-CB 3.72Å; Y232-E234 HydrophobicContact CE1-CG 4.27Å |
| 235 | P | 90 | Very high | 86.9 | Confident | 105 Ų | 105 | 51.6 Ų | 51.6 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 143.7 | 179.4 | 28.7 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 236 | L | 90.9 | Very high | 86.7 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138 | 177.5 | -56.4 | 175.6 | 0 | 0 | 0 | 110.5 | L141 V171 V210 F222 G224 L226 | L141-L236 HydrophobicContact CD1-CD1 3.98Å; L141-L236 HydrophobicContact CD1-CD2 4.23Å; L141-L236 HydrophobicContact CD2-CD1 3.69Å; L141-L236 HydrophobicContact CD2-CD2 4.47Å; V171-L236 HydrophobicContact CB-CD2 4.36Å; V171-L236 HydrophobicContact CG1-CD2 3.72Å; V171-L236 HydrophobicContact CG2-CD2 3.65Å; V210-L236 HydrophobicContact CG1-CD1 3.88Å; F222-L236 HydrophobicContact CE1-CB 3.92Å; G224-L236 PolarHBondContact N-O 2.82Å; G224-L236 PolarHBondContact O-N 2.87Å; L226-L236 HydrophobicContact CB-CD1 4.2Å; L226-L236 HydrophobicContact CB-CD2 4.19Å; L226-L236 HydrophobicContact CB-CG 4.35Å |
| 237 | D | 88.5 | Confident | 86.5 | Confident | 75 Ų | 75 | 52.7 Ų | 52.7 | 40% | 0.401 | 27% | 0.273 | S | S | . | . | trans | -132.1 | -176 | -174.9 | 75.5 | 2.5 | 0 | 0 | 0 | 113 | F222 E239 S240 | F222-D237 WeakPolarHBondContact CD1-O 3.39Å; D237-E239 PolarHBondContact O-N 3.17Å; D237-E239 VanDerWaalsContact O-N 3.15Å; D237-E239 WeakPolarHBondContact OD1-CB 3.3Å; D237-E239 PolarHBondContact OD1-N 2.85Å; D237-S240 PolarHBondContact O-N 3.04Å; D237-S240 PolarHBondContact O-OG 3.09Å; D237-S240 PolarHBondContact OD1-N 3.13Å | ||
| 238 | K | 87.6 | Confident | 86.4 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.4 | 178.5 | 70.8 | 176.1 | -175.4 | 172.1 | 0 | 114.1 | R168 L241 | R168-K238 PolarHBondContact NH1-O 3.35Å; K238-L241 PolarHBondContact O-N 2.85Å |
| 239 | E | 88.1 | Confident | 86.4 | Confident | 87 Ų | 87 | 51.1 Ų | 51.1 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -26.4 | -171.2 | -54.6 | -165.7 | 174.2 | 0 | 0 | 110.9 | R168 Q169 D237 | R168-E239 CarbonylContact C-O 3.46Å; R168-E239 VanDerWaalsContact CA-O 3.23Å; R168-E239 WeakPolarHBondContact CA-O 3.37Å; R168-E239 WeakPolarHBondContact CB-O 3.32Å; R168-E239 WeakPolarHBondContact CD-O 3.5Å; Q169-E239 PolarHBondContact N-O 2.69Å; D237-E239 PolarHBondContact O-N 3.17Å; D237-E239 VanDerWaalsContact O-N 3.15Å; D237-E239 WeakPolarHBondContact OD1-CB 3.3Å; D237-E239 PolarHBondContact OD1-N 2.85Å |
| 240 | S | 90.7 | Very high | 86.3 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -82.4 | -10.4 | 169.3 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | L141 L142 Q169 D237 | L141-S240 VanDerWaalsContact CD1-OG 3.31Å; L141-S240 WeakPolarHBondContact CD1-OG 3.28Å; L142-S240 WeakPolarHBondContact CB-O 3.5Å; L142-S240 PolarHBondContact N-O 3.25Å; Q169-S240 WeakPolarHBondContact O-CA 3.44Å; D237-S240 PolarHBondContact O-N 3.04Å; D237-S240 PolarHBondContact O-OG 3.09Å; D237-S240 PolarHBondContact OD1-N 3.13Å |
| 241 | L | 93 | Very high | 86.4 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.4 | -177.5 | -174.8 | 73.2 | 0 | 0 | 0 | 112.4 | R168 F222 K238 I243 L259 K266 | R168-L241 WeakPolarHBondContact CD-O 3.46Å; R168-L241 PolarHBondContact NH1-O 3.22Å; F222-L241 HydrophobicContact CB-CD2 3.78Å; F222-L241 HydrophobicContact CD1-CB 4.31Å; F222-L241 HydrophobicContact CD2-CD1 4.47Å; F222-L241 HydrophobicContact CD2-CD2 3.99Å; F222-L241 HydrophobicContact CG-CB 4.4Å; F222-L241 HydrophobicContact CG-CD2 3.86Å; K238-L241 PolarHBondContact O-N 2.85Å; L241-I243 HydrophobicContact CD2-CG1 4.14Å; L241-I243 HydrophobicContact CG-CG1 4.39Å; L241-L259 HydrophobicContact CD1-CD1 4.01Å; L241-K266 HydrophobicContact CD2-CD 4.2Å |
| 242 | I | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.2 | 167 | -54.3 | 171.1 | 0 | 0 | 0 | 108.7 | T136 D139 I140 L142 V154 R168 C246 I254 | T136-I242 HydrophobicContact CG2-CG2 3.74Å; D139-I242 CarbonylContact C-O 3.56Å; D139-I242 WeakPolarHBondContact CA-O 3.31Å; I140-I242 HydrophobicContact CG1-CB 3.93Å; I140-I242 PolarHBondContact N-O 3.42Å; I140-I242 PolarHBondContact O-N 3.37Å; L142-I242 HydrophobicContact CB-CD1 4.48Å; L142-I242 HydrophobicContact CD1-CD1 4.34Å; L142-I242 HydrophobicContact CD2-CD1 4.46Å; V154-I242 HydrophobicContact CG1-CD1 4.06Å; V154-I242 HydrophobicContact CG1-CG1 4.31Å; V154-I242 HydrophobicContact CG1-CG2 3.97Å; R168-I242 HydrophobicContact CG-CG1 4.1Å; I242-C246 HydrophobicContact CG2-CB 3.66Å; I242-I254 HydrophobicContact CD1-CD1 3.35Å |
| 243 | I | 90.8 | Very high | 86.9 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.046 | 18% | 0.176 | C | C | . | . | trans | -104.5 | 142.6 | -169.2 | -60.5 | 172.8 | 0 | 0 | 0 | 110 | T136 L159 M219 L241 G245 C246 K266 T267 | T136-I243 PolarHBondContact OG1-O 3.38Å; L159-I243 HydrophobicContact CD1-CB 3.86Å; L159-I243 HydrophobicContact CD1-CG2 3.79Å; M219-I243 HydrophobicContact CB-CD1 4.44Å; M219-I243 WeakPolarHBondContact O-CD1 3.42Å; L241-I243 HydrophobicContact CD2-CG1 4.14Å; L241-I243 HydrophobicContact CG-CG1 4.39Å; I243-G245 PolarHBondContact O-N 3.33Å; I243-G245 VanDerWaalsContact O-N 3.1Å; I243-C246 WeakPolarHBondContact O-CB 3.28Å; I243-C246 PolarHBondContact O-N 2.88Å; I243-C246 PolarHBondContact O-SG 2.91Å; I243-K266 HydrophobicContact CD1-CD 4.03Å; I243-K266 HydrophobicContact CG1-CD 4.28Å; I243-K266 HydrophobicContact CG2-CB 4.14Å; I243-T267 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 244 | R | 88.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 3% | 0.034 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 115.8 | 176.7 | 178 | -178.2 | 165.8 | 107.9 | 8.4 | 111.4 | N21 P137 D139 T265 T267 | N21-R244 PolarHBondContact OD1-NH1 3.34Å; P137-R244 WeakPolarHBondContact O-CD 3.25Å; P137-R244 PolarHBondContact O-NH1 3.34Å; D139-R244 WeakPolarHBondContact OD1-CB 3.15Å; D139-R244 PolarHBondContact OD1-N 3.39Å; R244-T265 HydrophobicContact CB-CG2 4.04Å; R244-T267 PolarHBondContact O-OG1 2.85Å |
| 245 | G | 81 | Confident | 87.6 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 115.7 | -18.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T136 T158 I243 E247 | T136-G245 PolarHBondContact O-N 3.34Å; T136-G245 VanDerWaalsContact O-N 3.16Å; T136-G245 PolarHBondContact OG1-N 2.92Å; T158-G245 PolarHBondContact OG1-O 3.1Å; I243-G245 PolarHBondContact O-N 3.33Å; I243-G245 VanDerWaalsContact O-N 3.1Å; G245-E247 PolarHBondContact O-N 3.28Å |
| 246 | C | 86.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 131.9 | 168.3 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | T136 V154 E155 I242 I243 | T136-C246 PolarHBondContact N-O 3.48Å; T136-C246 PolarHBondContact OG1-N 2.93Å; T136-C246 PolarHBondContact OG1-O 2.72Å; V154-C246 HydrophobicContact CB-CB 4.06Å; V154-C246 HydrophobicContact CG1-CB 4.41Å; V154-C246 HydrophobicContact CG2-CB 4.48Å; E155-C246 WeakPolarHBondContact O-CA 3.43Å; I242-C246 HydrophobicContact CG2-CB 3.66Å; I243-C246 WeakPolarHBondContact O-CB 3.28Å; I243-C246 PolarHBondContact O-N 2.88Å; I243-C246 PolarHBondContact O-SG 2.91Å |
| 247 | E | 85.9 | Confident | 87.9 | Confident | 33 Ų | 33 | 26 Ų | 26 | 15% | 0.154 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134.3 | 168.6 | -163.4 | -178.8 | 163.4 | 0 | 0 | 109.6 | N133 I135 V154 E155 G245 R249 | N133-E247 VanDerWaalsContact CA-OE1 3.24Å; N133-E247 WeakPolarHBondContact CA-OE1 3.4Å; N133-E247 WeakPolarHBondContact CB-OE1 3.47Å; I135-E247 HydrophobicContact CG1-CB 4.24Å; I135-E247 HydrophobicContact CG1-CG 4.12Å; V154-E247 WeakPolarHBondContact CA-O 3.26Å; E155-E247 HydrophobicContact CB-CB 4.47Å; E155-E247 PolarHBondContact N-O 2.63Å; E155-E247 PolarHBondContact O-N 2.75Å; G245-E247 PolarHBondContact O-N 3.28Å; E247-R249 VanDerWaalsContact CD-CZ 3.46Å; E247-R249 VanDerWaalsContact CD-NH2 3.28Å; E247-R249 PolarHBondContact O-N 3.41Å; E247-R249 IonicContact OE1-CZ 2.82Å; E247-R249 IonicContact OE1-NH1 3.54Å; E247-R249 PolarHBondContact OE1-NH1 2.89Å; E247-R249 IonicContact OE1-NH2 3.9Å; E247-R249 PolarHBondContact OE1-NH2 2.91Å; E247-R249 IonicContact OE2-CZ 3.32Å; E247-R249 IonicContact OE2-NH1 2.95Å; E247-R249 PolarHBondContact OE2-NH1 3.31Å; E247-R249 IonicContact OE2-NH2 2.66Å; E247-R249 PolarHBondContact OE2-NH2 3.48Å |
| 248 | L | 88.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.3 | 177.1 | -171.3 | 72.9 | 0 | 0 | 0 | 110.4 | V130 N133 E134 C152 V154 T251 I254 | V130-L248 HydrophobicContact CG1-CB 4.24Å; V130-L248 WeakPolarHBondContact O-CD2 3.44Å; N133-L248 WeakPolarHBondContact CA-O 3.34Å; N133-L248 PolarHBondContact N-O 3.16Å; E134-L248 PolarHBondContact O-N 3.11Å; C152-L248 HydrophobicContact CB-CD1 4.23Å; V154-L248 HydrophobicContact CG1-CD1 4.17Å; L248-T251 WeakPolarHBondContact CD2-O 3.24Å; L248-I254 HydrophobicContact CD1-CD1 3.95Å; L248-I254 HydrophobicContact CD1-CG1 4.03Å; L248-I254 HydrophobicContact CD1-CG2 3.8Å; L248-I254 HydrophobicContact CD2-CG1 4.02Å; L248-I254 HydrophobicContact CD2-CG2 4.21Å |
| 249 | R | 81.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 18.3 Ų | 18.3 | 16% | 0.158 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 162.8 | 176.5 | -69.2 | -76.6 | -164.8 | -117.2 | -21.1 | 110.4 | N133 Y153 E155 L165 E247 T251 | N133-R249 PolarHBondContact OD1-NH1 3.44Å; Y153-R249 PolarHBondContact O-N 3.07Å; E155-R249 HydrophobicContact CB-CG 3.99Å; E155-R249 IonicContact OE1-NH2 2.74Å; E155-R249 IonicContact OE2-CZ 3.96Å; E155-R249 IonicContact OE2-NE 2.66Å; E155-R249 PolarHBondContact OE2-NE 3.22Å; E155-R249 IonicContact OE2-NH2 3.56Å; E155-R249 PolarHBondContact OE2-NH2 3.01Å; L165-R249 HydrophobicContact CD1-CB 3.88Å; L165-R249 HydrophobicContact CD2-CB 3.77Å; L165-R249 HydrophobicContact CD2-CG 3.69Å; L165-R249 HydrophobicContact CG-CB 4.44Å; E247-R249 VanDerWaalsContact CD-CZ 3.46Å; E247-R249 VanDerWaalsContact CD-NH2 3.28Å; E247-R249 PolarHBondContact O-N 3.41Å; E247-R249 IonicContact OE1-CZ 2.82Å; E247-R249 IonicContact OE1-NH1 3.54Å; E247-R249 PolarHBondContact OE1-NH1 2.89Å; E247-R249 IonicContact OE1-NH2 3.9Å; E247-R249 PolarHBondContact OE1-NH2 2.91Å; E247-R249 IonicContact OE2-CZ 3.32Å; E247-R249 IonicContact OE2-NH1 2.95Å; E247-R249 PolarHBondContact OE2-NH1 3.31Å; E247-R249 IonicContact OE2-NH2 2.66Å; E247-R249 PolarHBondContact OE2-NH2 3.48Å; R249-T251 WeakPolarHBondContact O-CB 3.49Å; R249-T251 PolarHBondContact O-N 2.86Å; R249-T251 PolarHBondContact O-OG1 3.12Å |
| 250 | N | 76.7 | Confident | 88.8 | Confident | 14 Ų | 14 | 14.7 Ų | 14.7 | 8% | 0.075 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 47.7 | 23.4 | 173.4 | -52.7 | 20 | 0 | 0 | 0 | 115.1 | Y153 L165 R518 E696 | Y153-N250 HydrophobicContact CD2-CB 3.88Å; Y153-N250 HydrophobicContact CG-CB 4.22Å; L165-N250 WeakPolarHBondContact CD1-ND2 3.39Å; L165-N250 VanDerWaalsContact CD1-OD1 3.27Å; L165-N250 WeakPolarHBondContact CD1-OD1 3.35Å; N250-R518 PolarHBondContact O-NH2 3.19Å; N250-E696 PolarHBondContact OD1-OE2 3.46Å |
| 251 | T | 81.3 | Confident | 88.9 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | trans | -149.4 | 122.1 | -172.6 | -38.7 | 0 | 0 | 0 | 0 | 108.9 | C132 S145 C152 Y153 L248 R249 Y253 I254 | C132-T251 WeakPolarHBondContact CA-O 3.49Å; C132-T251 WeakPolarHBondContact CB-O 3.44Å; S145-T251 WeakPolarHBondContact OG-CG2 3.32Å; C152-T251 WeakPolarHBondContact CA-OG1 3.39Å; C152-T251 HydrophobicContact CB-CG2 3.66Å; C152-T251 WeakPolarHBondContact CB-OG1 3.37Å; Y153-T251 PolarHBondContact N-OG1 2.77Å; L248-T251 WeakPolarHBondContact CD2-O 3.24Å; R249-T251 WeakPolarHBondContact O-CB 3.49Å; R249-T251 PolarHBondContact O-N 2.86Å; R249-T251 PolarHBondContact O-OG1 3.12Å; T251-Y253 PolarHBondContact O-N 3.27Å; T251-I254 HydrophobicContact CG2-CG2 4.02Å | ||
| 252 | D | 80.6 | Confident | 88.7 | Confident | 75 Ų | 75 | 14.4 Ų | 14.4 | 40% | 0.401 | 7% | 0.067 | S | C | . | . | S | Bend | trans | -61.4 | -43.1 | -172.8 | -66.9 | -68.6 | 0 | 0 | 0 | 113.1 | C132 A146 R518 | C132-D252 PolarHBondContact N-O 3.07Å; A146-D252 HydrophobicContact CB-CB 3.92Å; D252-R518 WeakPolarHBondContact OD1-CD 3.4Å; D252-R518 IonicContact OD1-NE 3.87Å; D252-R518 IonicContact OD1-NH1 3.36Å; D252-R518 WeakPolarHBondContact OD2-CD 3.33Å; D252-R518 IonicContact OD2-CZ 3.62Å; D252-R518 IonicContact OD2-NE 2.8Å; D252-R518 IonicContact OD2-NH1 3.72Å; D252-R518 PolarHBondContact OD2-NH1 2.87Å |
| 253 | Y | 89.3 | Confident | 88.4 | Confident | 77 Ų | 77 | 17.2 Ų | 17.2 | 30% | 0.302 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162.5 | 168.4 | 66.8 | -90.4 | 0 | 0 | 0 | 110.8 | R129 V130 A146 T251 E255 | R129-Y253 HydrophobicContact CG-CD2 4.36Å; V130-Y253 CarbonylContact O-C 3.54Å; V130-Y253 WeakPolarHBondContact O-CA 3.5Å; V130-Y253 WeakPolarHBondContact O-CB 3.31Å; A146-Y253 HydrophobicContact CB-CD1 3.72Å; A146-Y253 HydrophobicContact CB-CD2 4.45Å; A146-Y253 HydrophobicContact CB-CE1 3.66Å; A146-Y253 HydrophobicContact CB-CE2 4.42Å; A146-Y253 HydrophobicContact CB-CG 4.11Å; A146-Y253 VanDerWaalsContact CB-O 3.29Å; A146-Y253 WeakPolarHBondContact CB-O 3.49Å; A146-Y253 PolarHBondContact N-O 3.08Å; T251-Y253 PolarHBondContact O-N 3.27Å; Y253-E255 HydrophobicContact CD2-CG 4.07Å; Y253-E255 HydrophobicContact CE2-CG 4.2Å |
| 254 | I | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 161.5 | 163.5 | 57.9 | 165.3 | 0 | 0 | 0 | 110.2 | R129 V130 I140 L142 N144 C152 I242 L248 T251 | R129-I254 VanDerWaalsContact CA-O 3.31Å; R129-I254 WeakPolarHBondContact CA-O 3.23Å; V130-I254 HydrophobicContact CB-CD1 4.32Å; V130-I254 HydrophobicContact CB-CG1 3.88Å; V130-I254 PolarHBondContact N-O 2.95Å; V130-I254 PolarHBondContact O-N 2.82Å; I140-I254 HydrophobicContact CD1-CD1 4.18Å; L142-I254 HydrophobicContact CD1-CB 3.72Å; L142-I254 HydrophobicContact CD1-CD1 4.16Å; L142-I254 HydrophobicContact CD1-CG2 3.84Å; N144-I254 WeakPolarHBondContact O-CA 3.47Å; C152-I254 HydrophobicContact CB-CG2 3.54Å; I242-I254 HydrophobicContact CD1-CD1 3.35Å; L248-I254 HydrophobicContact CD1-CD1 3.95Å; L248-I254 HydrophobicContact CD1-CG1 4.03Å; L248-I254 HydrophobicContact CD1-CG2 3.8Å; L248-I254 HydrophobicContact CD2-CG1 4.02Å; L248-I254 HydrophobicContact CD2-CG2 4.21Å; T251-I254 HydrophobicContact CG2-CG2 4.02Å |
| 255 | E | 93.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.7 | 172.6 | -57.7 | 165.3 | 141.7 | 0 | 0 | 109 | Y114 I128 R129 L143 N144 Y253 | Y114-E255 WeakPolarHBondContact CE2-OE1 3.43Å; Y114-E255 WeakPolarHBondContact OH-CG 3.4Å; Y114-E255 PolarHBondContact OH-OE1 2.89Å; Y114-E255 VanDerWaalsContact OH-OE1 3.07Å; I128-E255 WeakPolarHBondContact O-CA 3.43Å; R129-E255 HydrophobicContact CB-CG 4.24Å; R129-E255 HydrophobicContact CG-CG 4.34Å; R129-E255 IonicContact CZ-OE1 3.79Å; R129-E255 IonicContact NE-OE1 2.76Å; R129-E255 PolarHBondContact NE-OE1 3.28Å; R129-E255 VanDerWaalsContact NE-OE1 3.15Å; R129-E255 IonicContact NH2-OE1 3.16Å; R129-E255 PolarHBondContact NH2-OE1 2.58Å; L143-E255 PolarHBondContact N-O 3Å; N144-E255 HydrophobicContact CB-CB 4.21Å; N144-E255 PolarHBondContact N-O 3.44Å; N144-E255 PolarHBondContact ND2-OE2 2.82Å; N144-E255 PolarHBondContact O-N 3.43Å; Y253-E255 HydrophobicContact CD2-CG 4.07Å; Y253-E255 HydrophobicContact CE2-CG 4.2Å |
| 256 | G | 93.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 159.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I127 I128 L141 | I127-G256 CarbonylContact C-O 3.54Å; I127-G256 WeakPolarHBondContact CA-O 3.2Å; I128-G256 PolarHBondContact N-O 2.68Å; I128-G256 PolarHBondContact O-N 3.04Å; L141-G256 CarbonylContact O-C 3.6Å; L141-G256 WeakPolarHBondContact O-CA 3.37Å |
| 257 | I | 93.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.1 | -178.7 | -174.8 | 167.7 | 0 | 0 | 0 | 111.2 | P2 D126 I127 I140 L141 L143 F206 V210 L259 | P2-I257 HydrophobicContact CB-CD1 3.9Å; P2-I257 HydrophobicContact CG-CD1 3.81Å; D126-I257 WeakPolarHBondContact O-CA 3.41Å; I127-I257 HydrophobicContact CG1-CB 4.32Å; I127-I257 HydrophobicContact CG1-CD1 4.49Å; I127-I257 HydrophobicContact CG1-CG1 4.41Å; I140-I257 CarbonylContact C-O 3.57Å; I140-I257 VanDerWaalsContact CA-O 3.31Å; I140-I257 WeakPolarHBondContact CA-O 3.42Å; L141-I257 HydrophobicContact CB-CG2 3.87Å; L141-I257 HydrophobicContact CD2-CG2 4.24Å; L141-I257 PolarHBondContact N-O 3.27Å; L141-I257 PolarHBondContact O-N 3.42Å; L143-I257 HydrophobicContact CD1-CB 3.92Å; L143-I257 HydrophobicContact CD1-CG2 3.83Å; L143-I257 HydrophobicContact CD2-CG2 4.18Å; L143-I257 HydrophobicContact CG-CG2 4.1Å; F206-I257 HydrophobicContact CE1-CD1 3.96Å; F206-I257 HydrophobicContact CE1-CG2 4.49Å; V210-I257 HydrophobicContact CG2-CG2 4.47Å; I257-L259 PolarHBondContact O-N 3.44Å |
| 258 | V | 95.1 | Very high | 88 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 122.2 | -179.4 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | V122 G125 D126 I128 A138 I140 A261 | V122-V258 HydrophobicContact CG1-CG2 3.81Å; G125-V258 PolarHBondContact N-O 2.68Å; D126-V258 HydrophobicContact CB-CG2 4.49Å; D126-V258 PolarHBondContact O-N 2.84Å; I128-V258 HydrophobicContact CD1-CG2 4.42Å; I128-V258 HydrophobicContact CG2-CG2 4.09Å; A138-V258 HydrophobicContact CB-CG1 3.78Å; A138-V258 HydrophobicContact CB-CG2 4.23Å; I140-V258 HydrophobicContact CG2-CG2 3.94Å; V258-A261 HydrophobicContact CG1-CB 4.38Å |
| 259 | L | 94 | Very high | 87.7 | Confident | 13 Ų | 13 | 20.9 Ų | 20.9 | 7% | 0.068 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -50.8 | 175 | -57.2 | -171 | 0 | 0 | 0 | 111.6 | V124 D139 L141 V210 F222 L241 I257 | V124-L259 WeakPolarHBondContact CG1-O 3.48Å; D139-L259 PolarHBondContact O-N 3.09Å; L141-L259 HydrophobicContact CB-CD1 4.08Å; L141-L259 HydrophobicContact CB-CD2 4.09Å; L141-L259 HydrophobicContact CB-CG 4.1Å; V210-L259 HydrophobicContact CB-CD2 4.35Å; V210-L259 HydrophobicContact CG1-CD2 3.83Å; F222-L259 HydrophobicContact CE1-CD1 4.35Å; F222-L259 HydrophobicContact CE2-CD1 3.74Å; F222-L259 HydrophobicContact CZ-CD1 3.42Å; F222-L259 VanDerWaalsContact CZ-CD1 3.42Å; L241-L259 HydrophobicContact CD1-CD1 4.01Å; I257-L259 PolarHBondContact O-N 3.44Å |
| 260 | Y | 93.9 | Very high | 87.2 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 4% | 0.043 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.6 | -180 | -44.3 | -54.5 | 0 | 0 | 0 | 110.8 | D139 E213 P215 F222 D264 T265 | D139-Y260 HydrophobicContact CB-CD2 3.9Å; D139-Y260 HydrophobicContact CB-CG 4.42Å; D139-Y260 PolarHBondContact N-O 3.1Å; D139-Y260 VanDerWaalsContact N-O 3.13Å; D139-Y260 PolarHBondContact O-N 3.27Å; E213-Y260 PolarHBondContact O-OH 3.21Å; P215-Y260 HydrophobicContact CG-CD1 3.93Å; P215-Y260 HydrophobicContact CG-CE1 4.01Å; F222-Y260 HydrophobicContact CD2-CE2 4.48Å; F222-Y260 HydrophobicContact CE2-CE2 4.3Å; Y260-D264 WeakPolarHBondContact CB-O 3.44Å; Y260-T265 VanDerWaalsContact O-CG2 3.31Å; Y260-T265 WeakPolarHBondContact O-CG2 3.3Å |
| 261 | A | 93 | Very high | 86.8 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | trans | -129.8 | 141.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K19 N21 V124 V258 D264 | K19-A261 WeakPolarHBondContact O-CB 3.5Å; N21-A261 HydrophobicContact CB-CB 4Å; V124-A261 HydrophobicContact CG2-CB 4Å; V258-A261 HydrophobicContact CG1-CB 4.38Å; A261-D264 PolarHBondContact O-N 2.72Å; A261-D264 VanDerWaalsContact O-N 3.15Å | ||
| 262 | G | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | 55.8 | -123.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N21 D264 T265 M268 | N21-G262 PolarHBondContact OD1-N 2.97Å; G262-D264 PolarHBondContact O-N 2.98Å; G262-T265 PolarHBondContact O-N 3.25Å; G262-T265 PolarHBondContact O-OG1 2.85Å; G262-M268 WeakPolarHBondContact O-CB 3.36Å; G262-M268 VanDerWaalsContact O-CG 3.23Å; G262-M268 WeakPolarHBondContact O-CG 3.22Å |
| 263 | P | 87.5 | Confident | 84.8 | Confident | 59 Ų | 59 | 29.7 Ų | 29.7 | 38% | 0.383 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -55.2 | -24.7 | -178.8 | -24.9 | 34.2 | 0 | 0 | 0 | 115.2 | K19 | K19-P263 HydrophobicContact CD-CB 4.26Å; K19-P263 HydrophobicContact CD-CG 4.1Å |
| 264 | D | 90.6 | Very high | 83.4 | Confident | 29 Ų | 29 | 28.2 Ų | 28.2 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -93.2 | -2.6 | -172.4 | -57.9 | -24.2 | 0 | 0 | 0 | 112.4 | K19 P215 Y260 A261 G262 | K19-D264 IonicContact NZ-OD1 3.62Å; K19-D264 PolarHBondContact NZ-OD1 2.79Å; K19-D264 IonicContact NZ-OD2 3.01Å; K19-D264 PolarHBondContact NZ-OD2 2.96Å; P215-D264 HydrophobicContact CB-CB 4.29Å; P215-D264 HydrophobicContact CG-CB 4.19Å; Y260-D264 WeakPolarHBondContact CB-O 3.44Å; A261-D264 PolarHBondContact O-N 2.72Å; A261-D264 VanDerWaalsContact O-N 3.15Å; G262-D264 PolarHBondContact O-N 2.98Å |
| 265 | T | 89 | Confident | 82.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -68.3 | 146 | 171.8 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | D139 R244 Y260 G262 T267 M268 L269 | D139-T265 HydrophobicContact CB-CG2 4.44Å; D139-T265 WeakPolarHBondContact OD1-CB 3.44Å; D139-T265 WeakPolarHBondContact OD2-CA 3.43Å; R244-T265 HydrophobicContact CB-CG2 4.04Å; Y260-T265 VanDerWaalsContact O-CG2 3.31Å; Y260-T265 WeakPolarHBondContact O-CG2 3.3Å; G262-T265 PolarHBondContact O-N 3.25Å; G262-T265 PolarHBondContact O-OG1 2.85Å; T265-T267 PolarHBondContact O-N 2.82Å; T265-T267 VanDerWaalsContact O-N 3.12Å; T265-M268 PolarHBondContact O-N 3.35Å; T265-M268 WeakPolarHBondContact OG1-CB 3.35Å; T265-M268 VanDerWaalsContact OG1-CG 3.29Å; T265-M268 WeakPolarHBondContact OG1-CG 3.36Å; T265-M268 PolarHBondContact OG1-N 2.88Å; T265-L269 WeakPolarHBondContact O-CG 3.31Å; T265-L269 PolarHBondContact O-N 3.45Å |
| 266 | K | 85.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.3 | -35.5 | 178.6 | -71.9 | 175.8 | 173.8 | -70.8 | 0 | 112.4 | D139 N216 H218 R221 L241 I243 N270 | D139-K266 PolarHBondContact OD2-N 3.5Å; N216-K266 PolarHBondContact OD1-NZ 3.35Å; H218-K266 PolarHBondContact O-NZ 3.15Å; R221-K266 WeakPolarHBondContact O-CE 3.36Å; R221-K266 PolarHBondContact O-NZ 3.31Å; L241-K266 HydrophobicContact CD2-CD 4.2Å; I243-K266 HydrophobicContact CD1-CD 4.03Å; I243-K266 HydrophobicContact CG1-CD 4.28Å; I243-K266 HydrophobicContact CG2-CB 4.14Å; K266-N270 PolarHBondContact O-N 3.36Å; K266-N270 PolarHBondContact O-ND2 2.97Å |
| 267 | T | 78.8 | Confident | 79.6 | Confident | 12 Ų | 12 | 41 Ų | 41 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 176.8 | -46.6 | 0 | 0 | 0 | 0 | 111.9 | L159 I243 R244 T265 N270 S271 | L159-T267 HydrophobicContact CD2-CG2 3.66Å; L159-T267 WeakPolarHBondContact CD2-OG1 3.34Å; I243-T267 WeakPolarHBondContact CG2-OG1 3.47Å; R244-T267 PolarHBondContact O-OG1 2.85Å; T265-T267 PolarHBondContact O-N 2.82Å; T265-T267 VanDerWaalsContact O-N 3.12Å; T267-N270 PolarHBondContact O-N 3.18Å; T267-S271 PolarHBondContact O-N 3.03Å |
| 268 | M | 80 | Confident | 78.6 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 20% | 0.197 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.1 | -32.8 | 178.4 | -67.8 | -56.7 | -53.9 | 0 | 0 | 112.7 | V23 G262 T265 N270 S271 | V23-M268 HydrophobicContact CG1-CE 4.04Å; V23-M268 HydrophobicContact CG1-SD 4.26Å; V23-M268 HydrophobicContact CG2-SD 4.08Å; G262-M268 WeakPolarHBondContact O-CB 3.36Å; G262-M268 VanDerWaalsContact O-CG 3.23Å; G262-M268 WeakPolarHBondContact O-CG 3.22Å; T265-M268 PolarHBondContact O-N 3.35Å; T265-M268 WeakPolarHBondContact OG1-CB 3.35Å; T265-M268 VanDerWaalsContact OG1-CG 3.29Å; T265-M268 WeakPolarHBondContact OG1-CG 3.36Å; T265-M268 PolarHBondContact OG1-N 2.88Å; M268-N270 PolarHBondContact O-N 3.39Å; M268-S271 WeakPolarHBondContact CE-OG 3.26Å; M268-S271 PolarHBondContact O-N 3.05Å; M268-S271 VanDerWaalsContact O-N 3.12Å; M268-S271 VanDerWaalsContact O-O 3.12Å; M268-S271 PolarHBondContact O-OG 3.33Å |
| 269 | L | 81 | Confident | 78 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.8 | -24.6 | 174.5 | -70.2 | 175.1 | 0 | 0 | 0 | 113.5 | P215 Q217 T265 | P215-L269 HydrophobicContact CB-CD1 3.75Å; Q217-L269 HydrophobicContact CG-CB 4.35Å; T265-L269 WeakPolarHBondContact O-CG 3.31Å; T265-L269 PolarHBondContact O-N 3.45Å |
| 270 | N | 72.2 | Confident | 77.5 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -87.9 | -18.1 | 172.1 | -77.8 | -69.9 | 0 | 0 | 0 | 113.2 | Q217 K266 T267 M268 S272 Q1005 | Q217-N270 PolarHBondContact O-ND2 2.72Å; Q217-N270 PolarHBondContact O-OD1 2.86Å; K266-N270 PolarHBondContact O-N 3.36Å; K266-N270 PolarHBondContact O-ND2 2.97Å; T267-N270 PolarHBondContact O-N 3.18Å; M268-N270 PolarHBondContact O-N 3.39Å; N270-S272 PolarHBondContact O-N 2.52Å; N270-Q1005 PolarHBondContact OD1-NE2 2.7Å |
| 271 | S | 67.4 | Low | 77.1 | Confident | 42 Ų | 42 | 45 Ų | 45 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -75.1 | 116.9 | 168.7 | 74.9 | 0 | 0 | 0 | 0 | 110.1 | T267 M268 | T267-S271 PolarHBondContact O-N 3.03Å; M268-S271 WeakPolarHBondContact CE-OG 3.26Å; M268-S271 PolarHBondContact O-N 3.05Å; M268-S271 VanDerWaalsContact O-N 3.12Å; M268-S271 VanDerWaalsContact O-O 3.12Å; M268-S271 PolarHBondContact O-OG 3.33Å |
| 272 | S | 58.7 | Low | 76.7 | Confident | 59 Ų | 59 | 46 Ų | 46 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -76.3 | 154.2 | 176.2 | 79.6 | 0 | 0 | 0 | 0 | 110.8 | N270 T274 Q1036 | N270-S272 PolarHBondContact O-N 2.52Å; S272-T274 PolarHBondContact O-N 3.22Å; S272-Q1036 PolarHBondContact O-NE2 3.39Å; S272-Q1036 PolarHBondContact O-OE1 2.84Å; S272-Q1036 WeakPolarHBondContact OG-CB 3.37Å; S272-Q1036 VanDerWaalsContact OG-CD 3.28Å; S272-Q1036 PolarHBondContact OG-OE1 2.94Å |
| 273 | K | 62.2 | Low | 76.5 | Confident | 199 Ų | 199 | 52.8 Ų | 52.8 | 87% | 0.865 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -64.2 | 129 | 175.8 | -72.2 | 177 | 178.7 | 170.5 | 0 | 109.6 | R275 | K273-R275 PolarHBondContact O-N 3.04Š|
| 274 | T | 60.6 | Low | 76.4 | Confident | 45 Ų | 45 | 53.2 Ų | 53.2 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | trans | -58.9 | 103.6 | -176.3 | 41.4 | 0 | 0 | 0 | 0 | 111.5 | S272 | S272-T274 PolarHBondContact O-N 3.22Š| ||
| 275 | R | 64.3 | Low | 76.3 | Confident | 197 Ų | 197 | 52 Ų | 52 | 74% | 0.743 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -72.8 | 147.2 | -175 | -174.2 | 178.5 | 176.6 | 176.1 | 2.7 | 111.5 | K273 K277 | K273-R275 PolarHBondContact O-N 3.04Å; R275-K277 PolarHBondContact O-N 3.4Å |
| 276 | H | 65.3 | Low | 76.2 | Confident | 45 Ų | 45 | 53.4 Ų | 53.4 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 116.9 | 167.5 | -131.7 | -114.4 | 0 | 0 | 0 | 110.8 | K27 E40 | K27-H276 PolarHBondContact NZ-NE2 2.94Å; E40-H276 VanDerWaalsContact CD-ND1 3.34Å; E40-H276 WeakPolarHBondContact CG-ND1 3.41Å; E40-H276 IonicContact OE1-CE1 3.52Å; E40-H276 IonicContact OE1-CG 3.16Å; E40-H276 IonicContact OE1-ND1 3.61Å; E40-H276 PolarHBondContact OE1-ND1 2.81Å |
| 277 | K | 69.4 | Low | 76.3 | Confident | 32 Ų | 32 | 57 Ų | 57 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 135.7 | 177.8 | -67.7 | 180 | 166 | -162.9 | 0 | 109.3 | R275 I393 A1038 D1039 D1057 | R275-K277 PolarHBondContact O-N 3.4Å; K277-I393 HydrophobicContact CB-CG2 4.17Å; K277-I393 HydrophobicContact CD-CD1 4.15Å; K277-A1038 WeakPolarHBondContact CE-O 3.47Å; K277-A1038 PolarHBondContact NZ-O 3.34Å; K277-D1039 VanDerWaalsContact CD-O 3.29Å; K277-D1039 WeakPolarHBondContact CD-O 3.45Å; K277-D1039 WeakPolarHBondContact CE-O 3.45Å; K277-D1039 PolarHBondContact NZ-O 3.47Å; K277-D1057 IonicContact NZ-OD1 2.69Å; K277-D1057 IonicContact NZ-OD2 2.7Å; K277-D1057 PolarHBondContact NZ-OD2 3.04Å |
| 278 | R | 73.3 | Confident | 76.9 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | trans | -133.1 | 129.4 | -177.1 | -66.5 | -177.5 | 178.9 | -145.4 | -3.7 | 109.4 | E40 H43 E282 R283 | E40-R278 PolarHBondContact O-NH2 2.65Å; E40-R278 IonicContact OE1-CZ 3.91Å; E40-R278 VanDerWaalsContact OE1-CZ 3.25Å; E40-R278 IonicContact OE1-NE 2.66Å; E40-R278 PolarHBondContact OE1-NE 2.82Å; E40-R278 IonicContact OE1-NH2 3.89Å; E40-R278 PolarHBondContact OE1-NH2 2.74Å; E40-R278 IonicContact OE2-NH2 3.67Å; E40-R278 PolarHBondContact OE2-NH2 3.01Å; H43-R278 PolarHBondContact O-NH1 3.48Å; R278-E282 WeakPolarHBondContact CA-OE2 3.44Å; R278-R283 PolarHBondContact O-NE 3.44Å; R278-R283 PolarHBondContact O-NH2 2.62Å | ||
| 279 | S | 81.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -75.3 | 155.7 | -162.3 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | L281 E282 R283 E395 E396 | S279-L281 PolarHBondContact O-N 3.02Å; S279-E282 PolarHBondContact N-OE2 3Å; S279-E282 PolarHBondContact O-N 3Å; S279-E282 PolarHBondContact OG-N 3.37Å; S279-R283 WeakPolarHBondContact O-CG 3.43Å; S279-R283 PolarHBondContact O-N 3.16Å; S279-E395 WeakPolarHBondContact CB-OE1 3.38Å; S279-E395 PolarHBondContact OG-OE1 2.93Å; S279-E396 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 280 | K | 83.6 | Confident | 77.9 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.5 | -29.8 | 170.2 | -165.8 | 165.7 | -177 | 166.3 | 0 | 111.1 | E396 E401 H1019 L1021 | K280-E396 PolarHBondContact N-OE1 2.9Å; K280-E401 IonicContact NZ-OE1 2.7Å; K280-E401 PolarHBondContact NZ-OE1 3.48Å; K280-H1019 PolarHBondContact NZ-O 3.11Å; K280-L1021 HydrophobicContact CB-CD1 4.02Å; K280-L1021 HydrophobicContact CD-CB 4.38Å; K280-L1021 HydrophobicContact CD-CD1 3.96Å |
| 281 | L | 86.3 | Confident | 78.8 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.5 | -47.8 | 174 | -173.5 | 56.3 | 0 | 0 | 0 | 112.6 | S279 R283 K284 V285 E395 Y1078 L1081 I1085 F1162 | S279-L281 PolarHBondContact O-N 3.02Å; L281-R283 VanDerWaalsContact C-N 3.25Å; L281-R283 PolarHBondContact O-N 3.2Å; L281-K284 WeakPolarHBondContact O-CA 3.4Å; L281-K284 WeakPolarHBondContact O-CB 3.25Å; L281-K284 PolarHBondContact O-N 2.79Å; L281-V285 WeakPolarHBondContact O-CG2 3.45Å; L281-V285 PolarHBondContact O-N 2.88Å; L281-E395 HydrophobicContact CB-CG 4.17Å; L281-E395 HydrophobicContact CD2-CB 4.49Å; L281-E395 HydrophobicContact CD2-CG 4.11Å; L281-Y1078 HydrophobicContact CD1-CE2 4.35Å; L281-Y1078 HydrophobicContact CD2-CD2 4.35Å; L281-Y1078 HydrophobicContact CD2-CE2 4.3Å; L281-L1081 HydrophobicContact CD2-CB 4.24Å; L281-L1081 HydrophobicContact CD2-CD2 3.94Å; L281-L1081 HydrophobicContact CD2-CG 3.92Å; L281-I1085 HydrophobicContact CD1-CD1 4.12Å; L281-I1085 HydrophobicContact CD2-CD1 3.75Å; L281-I1085 HydrophobicContact CG-CD1 3.84Å; L281-F1162 HydrophobicContact CD1-CB 3.97Å; L281-F1162 HydrophobicContact CD1-CD1 4.02Å; L281-F1162 HydrophobicContact CD1-CG 3.95Å |
| 282 | E | 84.7 | Confident | 80.1 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.9 | -42.7 | 175.1 | -84.1 | -173.4 | 112.1 | 0 | 0 | 112.4 | R44 R278 S279 K284 V285 N286 | R44-E282 IonicContact CZ-OE1 3.51Å; R44-E282 IonicContact NE-OE1 2.74Å; R44-E282 PolarHBondContact NE-OE1 3.38Å; R44-E282 IonicContact NH2-OE1 2.7Å; R44-E282 PolarHBondContact NH2-OE1 2.92Å; R278-E282 WeakPolarHBondContact CA-OE2 3.44Å; S279-E282 PolarHBondContact N-OE2 3Å; S279-E282 PolarHBondContact O-N 3Å; S279-E282 PolarHBondContact OG-N 3.37Å; E282-K284 VanDerWaalsContact C-N 3.26Å; E282-K284 PolarHBondContact O-N 3.06Å; E282-V285 PolarHBondContact O-N 2.87Å; E282-N286 PolarHBondContact O-N 3.1Å |
| 283 | R | 84.5 | Confident | 81.7 | Confident | 143 Ų | 143 | 56.2 Ų | 56.2 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -34.1 | 178.6 | -65.6 | 177.8 | -130.2 | 171.4 | 6.6 | 112 | R278 S279 L281 S287 | R278-R283 PolarHBondContact O-NE 3.44Å; R278-R283 PolarHBondContact O-NH2 2.62Å; S279-R283 WeakPolarHBondContact O-CG 3.43Å; S279-R283 PolarHBondContact O-N 3.16Å; L281-R283 VanDerWaalsContact C-N 3.25Å; L281-R283 PolarHBondContact O-N 3.2Å; R283-S287 PolarHBondContact O-N 2.98Å |
| 284 | K | 86.1 | Confident | 83.2 | Confident | 69 Ų | 69 | 50 Ų | 50 | 30% | 0.3 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.6 | -37.8 | 172.7 | -73.7 | -174.7 | 168.4 | -174.1 | 0 | 112.8 | L281 E282 N286 S287 S288 N1159 F1162 | L281-K284 WeakPolarHBondContact O-CA 3.4Å; L281-K284 WeakPolarHBondContact O-CB 3.25Å; L281-K284 PolarHBondContact O-N 2.79Å; E282-K284 VanDerWaalsContact C-N 3.26Å; E282-K284 PolarHBondContact O-N 3.06Å; K284-N286 VanDerWaalsContact C-N 3.32Å; K284-N286 PolarHBondContact O-N 3.41Å; K284-S287 WeakPolarHBondContact O-CB 3.39Å; K284-S287 PolarHBondContact O-N 3.49Å; K284-S287 VanDerWaalsContact O-N 3.12Å; K284-S288 PolarHBondContact O-N 2.82Å; K284-N1159 VanDerWaalsContact NZ-CB 3.29Å; K284-N1159 PolarHBondContact NZ-OD1 3.16Å; K284-F1162 HydrophobicContact CB-CD1 4.03Å; K284-F1162 HydrophobicContact CB-CE1 3.98Å; K284-F1162 HydrophobicContact CD-CD1 4.42Å |
| 285 | V | 88.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 172.3 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | L281 E282 S287 S288 I289 I1085 F1089 | L281-V285 WeakPolarHBondContact O-CG2 3.45Å; L281-V285 PolarHBondContact O-N 2.88Å; E282-V285 PolarHBondContact O-N 2.87Å; V285-S287 PolarHBondContact O-N 2.97Å; V285-S288 WeakPolarHBondContact O-CB 3.38Å; V285-S288 PolarHBondContact O-N 2.78Å; V285-S288 VanDerWaalsContact O-N 3.12Å; V285-I289 HydrophobicContact CG1-CD1 3.86Å; V285-I289 HydrophobicContact CG1-CG1 4.32Å; V285-I289 VanDerWaalsContact O-CG1 3.32Å; V285-I289 WeakPolarHBondContact O-CG1 3.45Å; V285-I289 PolarHBondContact O-N 2.88Å; V285-I1085 HydrophobicContact CG2-CD1 3.7Å; V285-I1085 HydrophobicContact CG2-CG1 4.3Å; V285-I1085 HydrophobicContact CG2-CG2 3.9Å; V285-F1089 HydrophobicContact CG1-CE2 4.33Å; V285-F1089 HydrophobicContact CG1-CZ 4.26Å |
| 286 | N | 87 | Confident | 86.3 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -34 | 176.1 | -68.9 | -12.5 | 0 | 0 | 0 | 112.8 | L45 E282 K284 I289 L290 Y357 | L45-N286 HydrophobicContact CD1-CB 4.4Å; E282-N286 PolarHBondContact O-N 3.1Å; K284-N286 VanDerWaalsContact C-N 3.32Å; K284-N286 PolarHBondContact O-N 3.41Å; N286-I289 PolarHBondContact O-N 2.88Å; N286-L290 PolarHBondContact O-N 2.9Å; N286-L290 VanDerWaalsContact O-N 3.14Å; N286-Y357 PolarHBondContact OD1-OH 3.38Å |
| 287 | S | 88 | Confident | 87.8 | Confident | 75 Ų | 75 | 42 Ų | 42 | 52% | 0.524 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.2 | -40.7 | 174.4 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | R283 K284 V285 I289 L290 L291 | R283-S287 PolarHBondContact O-N 2.98Å; K284-S287 WeakPolarHBondContact O-CB 3.39Å; K284-S287 PolarHBondContact O-N 3.49Å; K284-S287 VanDerWaalsContact O-N 3.12Å; V285-S287 PolarHBondContact O-N 2.97Å; S287-I289 VanDerWaalsContact C-N 3.32Å; S287-I289 PolarHBondContact O-N 3.45Å; S287-L290 WeakPolarHBondContact O-CB 3.23Å; S287-L290 PolarHBondContact O-N 3.39Å; S287-L291 PolarHBondContact O-N 2.8Å |
| 288 | S | 90.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -35.4 | 171.3 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | K284 V285 L290 L291 C292 | K284-S288 PolarHBondContact O-N 2.82Å; V285-S288 WeakPolarHBondContact O-CB 3.38Å; V285-S288 PolarHBondContact O-N 2.78Å; V285-S288 VanDerWaalsContact O-N 3.12Å; S288-L290 VanDerWaalsContact C-N 3.35Å; S288-L291 WeakPolarHBondContact O-CB 3.5Å; S288-L291 PolarHBondContact O-N 3.32Å; S288-C292 PolarHBondContact O-N 3.45Å |
| 289 | I | 90.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 175.3 | -73.2 | 175.7 | 0 | 0 | 0 | 111.1 | A46 V285 N286 S287 L291 C292 V293 I352 Y357 F1089 | A46-I289 HydrophobicContact CB-CD1 4.15Å; V285-I289 HydrophobicContact CG1-CD1 3.86Å; V285-I289 HydrophobicContact CG1-CG1 4.32Å; V285-I289 VanDerWaalsContact O-CG1 3.32Å; V285-I289 WeakPolarHBondContact O-CG1 3.45Å; V285-I289 PolarHBondContact O-N 2.88Å; N286-I289 PolarHBondContact O-N 2.88Å; S287-I289 VanDerWaalsContact C-N 3.32Å; S287-I289 PolarHBondContact O-N 3.45Å; I289-L291 VanDerWaalsContact C-N 3.3Å; I289-L291 PolarHBondContact O-N 2.82Å; I289-C292 WeakPolarHBondContact O-CB 3.26Å; I289-C292 PolarHBondContact O-N 3.11Å; I289-C292 VanDerWaalsContact O-N 3.14Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 3.05Å; I289-I352 HydrophobicContact CD1-CG2 4.3Å; I289-I352 HydrophobicContact CG1-CG2 4.24Å; I289-I352 HydrophobicContact CG2-CD1 4.17Å; I289-I352 HydrophobicContact CG2-CG2 4.04Å; I289-Y357 HydrophobicContact CD1-CE2 4.17Å; I289-Y357 WeakPolarHBondContact CD1-OH 3.35Å; I289-F1089 HydrophobicContact CD1-CZ 4.49Å; I289-F1089 HydrophobicContact CG1-CE1 4.13Å; I289-F1089 HydrophobicContact CG1-CZ 3.78Å |
| 290 | L | 91.3 | Very high | 90.9 | Very high | 102 Ų | 102 | 43.1 Ų | 43.1 | 53% | 0.534 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 172.8 | -121 | 160.9 | 0 | 0 | 0 | 111.5 | L45 N286 S287 S288 V293 S294 | L45-L290 HydrophobicContact CD1-CD1 4.22Å; N286-L290 PolarHBondContact O-N 2.9Å; N286-L290 VanDerWaalsContact O-N 3.14Å; S287-L290 WeakPolarHBondContact O-CB 3.23Å; S287-L290 PolarHBondContact O-N 3.39Å; S288-L290 VanDerWaalsContact C-N 3.35Å; L290-V293 PolarHBondContact O-N 3.25Å; L290-S294 PolarHBondContact O-N 3.07Å; L290-S294 VanDerWaalsContact O-N 3.09Å; L290-S294 PolarHBondContact O-OG 2.86Å |
| 291 | L | 92.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 30% | 0.304 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.8 | -36.2 | 172.8 | -179 | 56.9 | 0 | 0 | 0 | 112.6 | S287 S288 I289 S294 I295 T1164 F1167 V1168 | S287-L291 PolarHBondContact O-N 2.8Å; S288-L291 WeakPolarHBondContact O-CB 3.5Å; S288-L291 PolarHBondContact O-N 3.32Å; I289-L291 VanDerWaalsContact C-N 3.3Å; I289-L291 PolarHBondContact O-N 2.82Å; L291-S294 PolarHBondContact O-N 2.88Å; L291-I295 HydrophobicContact CD1-CD1 4.4Å; L291-I295 HydrophobicContact CG-CD1 4.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.26Å; L291-I295 PolarHBondContact O-N 3.45Å; L291-T1164 HydrophobicContact CD2-CG2 4.36Å; L291-F1167 HydrophobicContact CB-CE1 4.47Å; L291-F1167 HydrophobicContact CD2-CD1 3.91Å; L291-F1167 HydrophobicContact CD2-CE1 3.72Å; L291-F1167 HydrophobicContact CG-CE1 4.13Å; L291-V1168 HydrophobicContact CD2-CG2 4.1Å |
| 292 | C | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 169.7 | -73.6 | 0 | 0 | 0 | 0 | 112 | S288 I289 S294 I295 L296 M351 I352 | S288-C292 PolarHBondContact O-N 3.45Å; I289-C292 WeakPolarHBondContact O-CB 3.26Å; I289-C292 PolarHBondContact O-N 3.11Å; I289-C292 VanDerWaalsContact O-N 3.14Å; C292-S294 VanDerWaalsContact C-N 3.3Å; C292-S294 PolarHBondContact O-N 3.01Å; C292-I295 PolarHBondContact O-N 2.91Å; C292-L296 WeakPolarHBondContact O-CB 3.34Å; C292-L296 PolarHBondContact O-N 3.31Å; C292-M351 HydrophobicContact CB-CE 4.07Å; C292-M351 WeakPolarHBondContact O-CE 3.45Å; C292-I352 HydrophobicContact CB-CD1 4.35Å; C292-I352 HydrophobicContact CB-CG1 4.1Å |
| 293 | V | 92.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 48.8 Ų | 48.8 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 177 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Y49 I289 L290 I295 L296 I297 I352 | Y49-V293 HydrophobicContact CD2-CG2 4.27Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 3.05Å; L290-V293 PolarHBondContact O-N 3.25Å; V293-I295 PolarHBondContact O-N 3.19Å; V293-L296 WeakPolarHBondContact O-CB 3.23Å; V293-L296 PolarHBondContact O-N 3.48Å; V293-I297 HydrophobicContact CG1-CD1 3.78Å; V293-I297 HydrophobicContact CG1-CG1 4.46Å; V293-I297 VanDerWaalsContact O-CG1 3.32Å; V293-I297 WeakPolarHBondContact O-CG1 3.41Å; V293-I297 PolarHBondContact O-N 2.66Å; V293-I352 HydrophobicContact CG2-CD1 3.51Å |
| 294 | S | 94.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 43 Ų | 43 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 113 | L290 L291 C292 L298 | L290-S294 PolarHBondContact O-N 3.07Å; L290-S294 VanDerWaalsContact O-N 3.09Å; L290-S294 PolarHBondContact O-OG 2.86Å; L291-S294 PolarHBondContact O-N 2.88Å; C292-S294 VanDerWaalsContact C-N 3.3Å; C292-S294 PolarHBondContact O-N 3.01Å; S294-L298 PolarHBondContact O-N 2.82Å |
| 295 | I | 95.1 | Very high | 93.5 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 176.4 | -65.9 | 163.3 | 0 | 0 | 0 | 110.5 | L291 C292 V293 I297 L298 L299 M351 I1171 | L291-I295 HydrophobicContact CD1-CD1 4.4Å; L291-I295 HydrophobicContact CG-CD1 4.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.26Å; L291-I295 PolarHBondContact O-N 3.45Å; C292-I295 PolarHBondContact O-N 2.91Å; V293-I295 PolarHBondContact O-N 3.19Å; I295-I297 PolarHBondContact O-N 2.73Å; I295-L298 WeakPolarHBondContact O-CB 3.29Å; I295-L298 PolarHBondContact O-N 2.77Å; I295-L299 HydrophobicContact CG2-CD1 4.31Å; I295-L299 HydrophobicContact CG2-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CG 3.03Å; I295-L299 PolarHBondContact O-N 3.38Å; I295-M351 HydrophobicContact CB-CE 3.85Å; I295-M351 HydrophobicContact CG2-CE 3.83Å; I295-M351 HydrophobicContact CG2-SD 4.15Å; I295-I1171 HydrophobicContact CD1-CG2 4.3Å |
| 296 | L | 95.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.7 | -51.7 | 178 | 178.8 | 69.1 | 0 | 0 | 0 | 110.8 | Y49 C292 V293 L298 L299 C300 F348 M351 | Y49-L296 HydrophobicContact CE2-CD2 3.71Å; Y49-L296 VanDerWaalsContact OH-CD2 3.29Å; Y49-L296 WeakPolarHBondContact OH-CD2 3.39Å; C292-L296 WeakPolarHBondContact O-CB 3.34Å; C292-L296 PolarHBondContact O-N 3.31Å; V293-L296 WeakPolarHBondContact O-CB 3.23Å; V293-L296 PolarHBondContact O-N 3.48Å; L296-L298 VanDerWaalsContact C-N 3.29Å; L296-L298 PolarHBondContact O-N 2.83Å; L296-L299 PolarHBondContact O-N 3.26Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L296-C300 PolarHBondContact O-N 3.04Å; L296-C300 PolarHBondContact O-SG 2.77Å; L296-F348 HydrophobicContact CD1-CB 3.4Å; L296-M351 HydrophobicContact CB-CE 3.91Å |
| 297 | I | 95.3 | Very high | 94 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 179 | -70.5 | 167.4 | 0 | 0 | 0 | 111 | V293 I295 C300 F301 F341 | V293-I297 HydrophobicContact CG1-CD1 3.78Å; V293-I297 HydrophobicContact CG1-CG1 4.46Å; V293-I297 VanDerWaalsContact O-CG1 3.32Å; V293-I297 WeakPolarHBondContact O-CG1 3.41Å; V293-I297 PolarHBondContact O-N 2.66Å; I295-I297 PolarHBondContact O-N 2.73Å; I297-C300 PolarHBondContact O-N 3.03Å; I297-F301 HydrophobicContact CG2-CD2 3.67Å; I297-F301 HydrophobicContact CG2-CE2 3.49Å; I297-F301 VanDerWaalsContact CG2-CE2 3.49Å; I297-F301 VanDerWaalsContact O-CD2 3.25Å; I297-F301 WeakPolarHBondContact O-CD2 3.32Å; I297-F301 PolarHBondContact O-N 2.97Å; I297-F341 HydrophobicContact CG2-CZ 4.46Å |
| 298 | L | 96.8 | Very high | 94.1 | Very high | 104 Ų | 104 | 40.6 Ų | 40.6 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -44.2 | 175.4 | 179.4 | 63 | 0 | 0 | 0 | 112.3 | S294 I295 L296 F301 I302 | S294-L298 PolarHBondContact O-N 2.82Å; I295-L298 WeakPolarHBondContact O-CB 3.29Å; I295-L298 PolarHBondContact O-N 2.77Å; L296-L298 VanDerWaalsContact C-N 3.29Å; L296-L298 PolarHBondContact O-N 2.83Å; L298-F301 PolarHBondContact O-N 3.37Å; L298-I302 HydrophobicContact CD1-CD1 4.42Å; L298-I302 HydrophobicContact CG-CD1 4.22Å; L298-I302 WeakPolarHBondContact O-CG1 3.19Å; L298-I302 PolarHBondContact O-N 3.4Å |
| 299 | L | 96.5 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 176.2 | -62.2 | 176.8 | 0 | 0 | 0 | 111.6 | I295 L296 I302 V303 F348 V1096 F1097 F1100 | I295-L299 HydrophobicContact CG2-CD1 4.31Å; I295-L299 HydrophobicContact CG2-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CG 3.03Å; I295-L299 PolarHBondContact O-N 3.38Å; L296-L299 PolarHBondContact O-N 3.26Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L299-I302 PolarHBondContact O-N 3.05Å; L299-V303 WeakPolarHBondContact O-CG2 3.11Å; L299-V303 PolarHBondContact O-N 2.97Å; L299-F348 HydrophobicContact CB-CD2 4.09Å; L299-F348 HydrophobicContact CB-CE2 4.01Å; L299-V1096 HydrophobicContact CD1-CG1 4.05Å; L299-F1097 HydrophobicContact CD1-CE1 4.23Å; L299-F1097 HydrophobicContact CD2-CE1 4.45Å; L299-F1100 HydrophobicContact CB-CD2 4.15Å; L299-F1100 HydrophobicContact CB-CE2 4.28Å; L299-F1100 HydrophobicContact CD2-CD1 4.1Å; L299-F1100 HydrophobicContact CD2-CD2 3.74Å; L299-F1100 HydrophobicContact CD2-CE1 4Å; L299-F1100 HydrophobicContact CD2-CE2 3.64Å; L299-F1100 HydrophobicContact CD2-CG 3.97Å; L299-F1100 HydrophobicContact CD2-CZ 3.76Å; L299-F1100 HydrophobicContact CG-CD2 4.38Å |
| 300 | C | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | L296 I297 V303 S304 F341 A345 | L296-C300 PolarHBondContact O-N 3.04Å; L296-C300 PolarHBondContact O-SG 2.77Å; I297-C300 PolarHBondContact O-N 3.03Å; C300-V303 PolarHBondContact O-N 3.25Å; C300-S304 WeakPolarHBondContact O-CB 3.47Å; C300-S304 PolarHBondContact O-N 3.09Å; C300-F341 HydrophobicContact CB-CD2 3.68Å; C300-F341 HydrophobicContact CB-CE2 3.61Å; C300-F341 HydrophobicContact CB-CG 4.31Å; C300-F341 HydrophobicContact CB-CZ 4.2Å; C300-A345 VanDerWaalsContact SG-CA 3.51Å; C300-A345 PolarHBondContact SG-N 3.42Å |
| 301 | F | 97 | Very high | 93.7 | Very high | 122 Ų | 122 | 44.3 Ų | 44.3 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 171.9 | -85.1 | -59.1 | 0 | 0 | 0 | 112.6 | I297 L298 S304 A305 F341 | I297-F301 HydrophobicContact CG2-CD2 3.67Å; I297-F301 HydrophobicContact CG2-CE2 3.49Å; I297-F301 VanDerWaalsContact CG2-CE2 3.49Å; I297-F301 VanDerWaalsContact O-CD2 3.25Å; I297-F301 WeakPolarHBondContact O-CD2 3.32Å; I297-F301 PolarHBondContact O-N 2.97Å; L298-F301 PolarHBondContact O-N 3.37Å; F301-S304 PolarHBondContact O-N 3.46Å; F301-A305 VanDerWaalsContact O-CB 3.26Å; F301-A305 WeakPolarHBondContact O-CB 3.36Å; F301-A305 PolarHBondContact O-N 3.4Å; F301-F341 HydrophobicContact CD1-CD2 4.03Å; F301-F341 AromaticContact CD1-CE2 3.83Å; F301-F341 HydrophobicContact CD1-CE2 3.83Å; F301-F341 AromaticContact CD2-CE2 3.87Å; F301-F341 HydrophobicContact CD2-CE2 3.87Å; F301-F341 HydrophobicContact CE1-CD2 4.25Å; F301-F341 AromaticContact CE1-CE2 3.89Å; F301-F341 HydrophobicContact CE1-CE2 3.89Å; F301-F341 AromaticContact CE2-CE2 3.94Å; F301-F341 HydrophobicContact CE2-CE2 3.94Å; F301-F341 HydrophobicContact CE2-CZ 4.36Å; F301-F341 HydrophobicContact CG-CD2 4.28Å; F301-F341 AromaticContact CG-CE2 3.8Å; F301-F341 HydrophobicContact CG-CE2 3.8Å; F301-F341 AromaticContact CZ-CE2 3.94Å; F301-F341 HydrophobicContact CZ-CE2 3.94Å; F301-F341 HydrophobicContact CZ-CZ 4.35Å |
| 302 | I | 96.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176 | -66.8 | 161.5 | 0 | 0 | 0 | 111 | L298 L299 A305 G306 F1100 | L298-I302 HydrophobicContact CD1-CD1 4.42Å; L298-I302 HydrophobicContact CG-CD1 4.22Å; L298-I302 WeakPolarHBondContact O-CG1 3.19Å; L298-I302 PolarHBondContact O-N 3.4Å; L299-I302 PolarHBondContact O-N 3.05Å; I302-A305 PolarHBondContact O-N 3.36Å; I302-G306 PolarHBondContact O-N 2.99Å; I302-F1100 HydrophobicContact CB-CE2 4.16Å; I302-F1100 HydrophobicContact CB-CZ 4.41Å; I302-F1100 HydrophobicContact CD1-CZ 4.22Å; I302-F1100 HydrophobicContact CG2-CE2 3.89Å; I302-F1100 HydrophobicContact CG2-CZ 3.89Å |
| 303 | V | 96 | Very high | 93 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | L299 C300 A305 G306 S307 F348 F1100 Q1103 F1108 | L299-V303 WeakPolarHBondContact O-CG2 3.11Å; L299-V303 PolarHBondContact O-N 2.97Å; C300-V303 PolarHBondContact O-N 3.25Å; V303-A305 PolarHBondContact O-N 3.39Å; V303-G306 PolarHBondContact O-N 3.42Å; V303-S307 WeakPolarHBondContact O-CB 3.24Å; V303-S307 PolarHBondContact O-N 3.33Å; V303-F348 HydrophobicContact CG2-CE2 3.91Å; V303-F348 HydrophobicContact CG2-CZ 4.06Å; V303-F1100 HydrophobicContact CG2-CD2 4.41Å; V303-F1100 HydrophobicContact CG2-CE2 4.5Å; V303-Q1103 HydrophobicContact CG2-CB 4.22Å; V303-Q1103 HydrophobicContact CG2-CG 3.96Å; V303-F1108 HydrophobicContact CB-CD1 4.49Å; V303-F1108 HydrophobicContact CG1-CB 4.09Å; V303-F1108 HydrophobicContact CG1-CD1 4.4Å; V303-F1108 HydrophobicContact CG2-CD1 4.48Å |
| 304 | S | 95.3 | Very high | 92.3 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | C300 F301 S307 I308 S337 | C300-S304 WeakPolarHBondContact O-CB 3.47Å; C300-S304 PolarHBondContact O-N 3.09Å; F301-S304 PolarHBondContact O-N 3.46Å; S304-S307 WeakPolarHBondContact O-CB 3.18Å; S304-S307 PolarHBondContact O-N 2.89Å; S304-I308 PolarHBondContact O-N 2.85Å; S304-S337 WeakPolarHBondContact CB-O 3.46Å; S304-S337 PolarHBondContact OG-O 3.06Å |
| 305 | A | 95.3 | Very high | 91.1 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F301 I302 V303 I308 T309 | F301-A305 VanDerWaalsContact O-CB 3.26Å; F301-A305 WeakPolarHBondContact O-CB 3.36Å; F301-A305 PolarHBondContact O-N 3.4Å; I302-A305 PolarHBondContact O-N 3.36Å; V303-A305 PolarHBondContact O-N 3.39Å; A305-I308 WeakPolarHBondContact O-CG2 3.06Å; A305-T309 WeakPolarHBondContact O-CB 3.31Å; A305-T309 PolarHBondContact O-N 2.99Å; A305-T309 PolarHBondContact O-OG1 3.15Å |
| 306 | G | 94 | Very high | 89.9 | Confident | 11 Ų | 11 | 61 Ų | 61 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | I302 V303 T309 W310 F1108 | I302-G306 PolarHBondContact O-N 2.99Å; V303-G306 PolarHBondContact O-N 3.42Å; G306-T309 PolarHBondContact O-N 2.82Å; G306-W310 WeakPolarHBondContact O-CB 3.47Å; G306-W310 PolarHBondContact O-N 3.2Å; G306-F1108 VanDerWaalsContact CA-CD2 3.44Å |
| 307 | S | 90.9 | Very high | 88.5 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.4 | -51 | 177 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | V303 S304 T309 W310 L311 S337 | V303-S307 WeakPolarHBondContact O-CB 3.24Å; V303-S307 PolarHBondContact O-N 3.33Å; S304-S307 WeakPolarHBondContact O-CB 3.18Å; S304-S307 PolarHBondContact O-N 2.89Å; S307-T309 VanDerWaalsContact C-N 3.32Å; S307-T309 PolarHBondContact O-N 2.9Å; S307-W310 PolarHBondContact O-N 3.2Å; S307-L311 WeakPolarHBondContact O-CB 3.37Å; S307-L311 WeakPolarHBondContact O-CG 3.44Å; S307-L311 PolarHBondContact O-N 2.88Å; S307-S337 WeakPolarHBondContact CB-OG 3.41Å; S307-S337 PolarHBondContact OG-OG 3.05Å |
| 308 | I | 90.8 | Very high | 87.1 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | -177.7 | -165.2 | 170.4 | 0 | 0 | 0 | 111.5 | S304 A305 N312 S337 | S304-I308 PolarHBondContact O-N 2.85Å; A305-I308 WeakPolarHBondContact O-CG2 3.06Å; I308-N312 VanDerWaalsContact O-CB 3.23Å; I308-N312 WeakPolarHBondContact O-CB 3.41Å; I308-N312 PolarHBondContact O-N 3.2Å; I308-N312 PolarHBondContact O-ND2 3.04Å; I308-S337 WeakPolarHBondContact CA-OG 3.25Å; I308-S337 WeakPolarHBondContact CB-OG 3.29Å; I308-S337 PolarHBondContact N-OG 3.26Å |
| 309 | T | 91.3 | Very high | 85.6 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.4 | -41.8 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | A305 G306 S307 S313 | A305-T309 WeakPolarHBondContact O-CB 3.31Å; A305-T309 PolarHBondContact O-N 2.99Å; A305-T309 PolarHBondContact O-OG1 3.15Å; G306-T309 PolarHBondContact O-N 2.82Å; S307-T309 VanDerWaalsContact C-N 3.32Å; S307-T309 PolarHBondContact O-N 2.9Å; T309-S313 PolarHBondContact O-N 3.19Å |
| 310 | W | 88.4 | Confident | 84.2 | Confident | 82 Ų | 82 | 63.5 Ų | 63.5 | 31% | 0.311 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.3 | -47.9 | 178.2 | -171.2 | 71.9 | 0 | 0 | 0 | 111.6 | G306 S307 N312 S313 F314 L323 | G306-W310 WeakPolarHBondContact O-CB 3.47Å; G306-W310 PolarHBondContact O-N 3.2Å; S307-W310 PolarHBondContact O-N 3.2Å; W310-N312 VanDerWaalsContact C-N 3.34Å; W310-N312 PolarHBondContact O-N 3.46Å; W310-S313 VanDerWaalsContact O-CB 3.22Å; W310-S313 WeakPolarHBondContact O-CB 3.44Å; W310-S313 PolarHBondContact O-N 2.76Å; W310-S313 VanDerWaalsContact O-N 3.12Å; W310-F314 HydrophobicContact CD2-CE2 4.05Å; W310-F314 AromaticContact CE2-CE2 3.74Å; W310-F314 HydrophobicContact CG-CE2 4.4Å; W310-F314 HydrophobicContact CZ2-CE2 4.02Å; W310-F314 HydrophobicContact CZ2-CZ 4.21Å; W310-F314 AromaticContact NE1-CE2 3.91Å; W310-F314 VanDerWaalsContact O-CD2 3.24Å; W310-F314 WeakPolarHBondContact O-CD2 3.43Å; W310-F314 WeakPolarHBondContact O-CE2 3.18Å; W310-L323 HydrophobicContact CH2-CD1 4.04Å; W310-L323 HydrophobicContact CZ3-CD1 3.72Å |
| 311 | L | 84 | Confident | 82.6 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 177.4 | -70.9 | 171 | 0 | 0 | 0 | 112.9 | S307 S313 L323 P333 N336 | S307-L311 WeakPolarHBondContact O-CB 3.37Å; S307-L311 WeakPolarHBondContact O-CG 3.44Å; S307-L311 PolarHBondContact O-N 2.88Å; L311-S313 VanDerWaalsContact C-N 3.27Å; L311-S313 PolarHBondContact O-N 2.99Å; L311-L323 HydrophobicContact CD2-CD1 4.1Å; L311-L323 HydrophobicContact CD2-CD2 4.38Å; L311-P333 HydrophobicContact CB-CB 4.04Å; L311-P333 HydrophobicContact CD1-CB 4.35Å; L311-N336 HydrophobicContact CD1-CB 3.99Å |
| 312 | N | 86.1 | Confident | 81.2 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -75.4 | -11.6 | 177.3 | -72.1 | -13.7 | 0 | 0 | 0 | 113.8 | I308 W310 F314 P333 | I308-N312 VanDerWaalsContact O-CB 3.23Å; I308-N312 WeakPolarHBondContact O-CB 3.41Å; I308-N312 PolarHBondContact O-N 3.2Å; I308-N312 PolarHBondContact O-ND2 3.04Å; W310-N312 VanDerWaalsContact C-N 3.34Å; W310-N312 PolarHBondContact O-N 3.46Å; N312-F314 VanDerWaalsContact C-N 3.31Å; N312-P333 WeakPolarHBondContact OD1-CB 3.42Å; N312-P333 VanDerWaalsContact OD1-CG 3.25Å; N312-P333 WeakPolarHBondContact OD1-CG 3.46Å |
| 313 | S | 85.7 | Confident | 79.7 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.3 | -27.4 | 176.8 | -162.4 | 0 | 0 | 0 | 0 | 112.4 | T309 W310 L311 | T309-S313 PolarHBondContact O-N 3.19Å; W310-S313 VanDerWaalsContact O-CB 3.22Å; W310-S313 WeakPolarHBondContact O-CB 3.44Å; W310-S313 PolarHBondContact O-N 2.76Å; W310-S313 VanDerWaalsContact O-N 3.12Å; L311-S313 VanDerWaalsContact C-N 3.27Å; L311-S313 PolarHBondContact O-N 2.99Å |
| 314 | F | 78.5 | Confident | 77.9 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 26% | 0.263 | 37% | 0.369 | S | S | . | . | trans | -91.1 | 108.1 | -177.4 | -60.8 | -80.4 | 0 | 0 | 0 | 111.4 | W310 N312 D316 V320 | W310-F314 HydrophobicContact CD2-CE2 4.05Å; W310-F314 AromaticContact CE2-CE2 3.74Å; W310-F314 HydrophobicContact CG-CE2 4.4Å; W310-F314 HydrophobicContact CZ2-CE2 4.02Å; W310-F314 HydrophobicContact CZ2-CZ 4.21Å; W310-F314 AromaticContact NE1-CE2 3.91Å; W310-F314 VanDerWaalsContact O-CD2 3.24Å; W310-F314 WeakPolarHBondContact O-CD2 3.43Å; W310-F314 WeakPolarHBondContact O-CE2 3.18Å; N312-F314 VanDerWaalsContact C-N 3.31Å; F314-D316 VanDerWaalsContact C-N 3.26Å; F314-D316 PolarHBondContact O-N 2.89Å; F314-V320 HydrophobicContact CD1-CG2 3.95Å; F314-V320 HydrophobicContact CE1-CG2 3.58Å; F314-V320 HydrophobicContact CZ-CG2 3.99Å | ||
| 315 | K | 68.7 | Low | 76.2 | Confident | 221 Ų | 221 | 75.9 Ų | 75.9 | 96% | 0.961 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -64.1 | -29.8 | 173.3 | -76.3 | -172.4 | 175.3 | -178 | 0 | 113.5 | ||
| 316 | D | 69 | Low | 74.4 | Confident | 82 Ų | 82 | 81.7 Ų | 81.7 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -131.3 | 123.2 | 171.4 | -177.9 | -2.6 | 0 | 0 | 0 | 107.8 | F314 N318 V319 | F314-D316 VanDerWaalsContact C-N 3.26Å; F314-D316 PolarHBondContact O-N 2.89Å; D316-N318 VanDerWaalsContact C-N 3.3Å; D316-N318 WeakPolarHBondContact OD1-CB 3.26Å; D316-N318 PolarHBondContact OD1-N 3.07Å; D316-N318 PolarHBondContact OD1-ND2 3.06Å; D316-V319 HydrophobicContact CB-CG2 4.11Å |
| 317 | R | 66.3 | Low | 72.7 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -72.6 | -24.9 | -178.2 | -68.2 | 178.7 | 175.5 | -178.7 | -3.5 | 112.3 | V319 V320 L323 S331 | R317-V319 PolarHBondContact O-N 3.26Å; R317-V319 VanDerWaalsContact O-N 3.15Å; R317-V320 PolarHBondContact O-N 2.85Å; R317-L323 HydrophobicContact CB-CD2 4.24Å; R317-L323 HydrophobicContact CG-CD2 4.34Å; R317-S331 PolarHBondContact NH1-O 3.33Å; R317-S331 PolarHBondContact NH2-O 3.16Å |
| 318 | N | 65.1 | Low | 71.2 | Confident | 91 Ų | 91 | 87.6 Ų | 87.6 | 49% | 0.487 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -67.8 | -14.1 | -177.6 | -58.6 | -68.9 | 0 | 0 | 0 | 113.4 | D316 V320 N324 | D316-N318 VanDerWaalsContact C-N 3.3Å; D316-N318 WeakPolarHBondContact OD1-CB 3.26Å; D316-N318 PolarHBondContact OD1-N 3.07Å; D316-N318 PolarHBondContact OD1-ND2 3.06Å; N318-V320 PolarHBondContact O-N 3.25Å; N318-N324 PolarHBondContact OD1-ND2 3.22Å |
| 319 | V | 66.6 | Low | 69.6 | Low | 104 Ų | 104 | 89.1 Ų | 89.1 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -66.1 | -19.4 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | D316 R317 | D316-V319 HydrophobicContact CB-CG2 4.11Å; R317-V319 PolarHBondContact O-N 3.26Å; R317-V319 VanDerWaalsContact O-N 3.15Å |
| 320 | V | 66.9 | Low | 68.1 | Low | 16 Ų | 16 | 93.9 Ų | 93.9 | 10% | 0.097 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -114.7 | 95.7 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | F314 R317 N318 F322 L323 | F314-V320 HydrophobicContact CD1-CG2 3.95Å; F314-V320 HydrophobicContact CE1-CG2 3.58Å; F314-V320 HydrophobicContact CZ-CG2 3.99Å; R317-V320 PolarHBondContact O-N 2.85Å; N318-V320 PolarHBondContact O-N 3.25Å; V320-F322 VanDerWaalsContact C-N 3.26Å; V320-F322 HydrophobicContact CG1-CD1 3.94Å; V320-F322 HydrophobicContact CG1-CD2 4.01Å; V320-F322 HydrophobicContact CG1-CE1 3.5Å; V320-F322 VanDerWaalsContact CG1-CE1 3.5Å; V320-F322 HydrophobicContact CG1-CE2 3.58Å; V320-F322 HydrophobicContact CG1-CG 4.18Å; V320-F322 HydrophobicContact CG1-CZ 3.31Å; V320-F322 PolarHBondContact O-N 2.76Å; V320-F322 VanDerWaalsContact O-N 3.07Å; V320-L323 HydrophobicContact CB-CB 3.91Å; V320-L323 HydrophobicContact CG1-CB 3.93Å; V320-L323 VanDerWaalsContact O-CB 3.29Å; V320-L323 WeakPolarHBondContact O-CB 3.45Å; V320-L323 PolarHBondContact O-N 3.04Å |
| 321 | P | 61.7 | Low | 67.1 | Low | 102 Ų | 102 | 91 Ų | 91 | 66% | 0.662 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.7 | -165.2 | -28.9 | 36.2 | 0 | 0 | 0 | 115.5 | ||
| 322 | F | 68.3 | Low | 67 | Low | 124 Ų | 124 | 93.3 Ų | 93.3 | 54% | 0.544 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -18.5 | 177.4 | 58.8 | -97.8 | 0 | 0 | 0 | 113.6 | V320 N324 F325 F326 | V320-F322 VanDerWaalsContact C-N 3.26Å; V320-F322 HydrophobicContact CG1-CD1 3.94Å; V320-F322 HydrophobicContact CG1-CD2 4.01Å; V320-F322 HydrophobicContact CG1-CE1 3.5Å; V320-F322 VanDerWaalsContact CG1-CE1 3.5Å; V320-F322 HydrophobicContact CG1-CE2 3.58Å; V320-F322 HydrophobicContact CG1-CG 4.18Å; V320-F322 HydrophobicContact CG1-CZ 3.31Å; V320-F322 PolarHBondContact O-N 2.76Å; V320-F322 VanDerWaalsContact O-N 3.07Å; F322-N324 VanDerWaalsContact C-N 3.35Å; F322-N324 PolarHBondContact O-N 3.31Å; F322-F325 WeakPolarHBondContact O-CB 3.47Å; F322-F325 PolarHBondContact O-N 3.22Å; F322-F325 VanDerWaalsContact O-N 3.13Å; F322-F326 WeakPolarHBondContact O-CD2 3.47Å |
| 323 | L | 65.7 | Low | 66.8 | Low | 9 Ų | 9 | 90 Ų | 90 | 5% | 0.047 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | -176.4 | -166.7 | 69.9 | 0 | 0 | 0 | 111.3 | W310 L311 R317 V320 F325 F326 V327 | W310-L323 HydrophobicContact CH2-CD1 4.04Å; W310-L323 HydrophobicContact CZ3-CD1 3.72Å; L311-L323 HydrophobicContact CD2-CD1 4.1Å; L311-L323 HydrophobicContact CD2-CD2 4.38Å; R317-L323 HydrophobicContact CB-CD2 4.24Å; R317-L323 HydrophobicContact CG-CD2 4.34Å; V320-L323 HydrophobicContact CB-CB 3.91Å; V320-L323 HydrophobicContact CG1-CB 3.93Å; V320-L323 VanDerWaalsContact O-CB 3.29Å; V320-L323 WeakPolarHBondContact O-CB 3.45Å; V320-L323 PolarHBondContact O-N 3.04Å; L323-F325 PolarHBondContact O-N 3.09Å; L323-F325 VanDerWaalsContact O-N 3.14Å; L323-F326 PolarHBondContact O-N 2.95Å; L323-F326 VanDerWaalsContact O-N 3.12Å; L323-V327 HydrophobicContact CD1-CG2 3.94Å; L323-V327 HydrophobicContact CG-CG2 4.19Å; L323-V327 WeakPolarHBondContact O-CB 3.18Å; L323-V327 PolarHBondContact O-N 2.94Å |
| 324 | N | 57.4 | Low | 66.9 | Low | 59 Ų | 59 | 89 Ų | 89 | 32% | 0.316 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.9 | -14.5 | 175.2 | -73.3 | -1.6 | 0 | 0 | 0 | 114.1 | N318 F322 N329 | N318-N324 PolarHBondContact OD1-ND2 3.22Å; F322-N324 VanDerWaalsContact C-N 3.35Å; F322-N324 PolarHBondContact O-N 3.31Å; N324-N329 PolarHBondContact OD1-ND2 2.77Å |
| 325 | F | 59.4 | Low | 67.4 | Low | 181 Ų | 181 | 91.1 Ų | 91.1 | 79% | 0.794 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -86.5 | -18.8 | 175.9 | -104.4 | -80.9 | 0 | 0 | 0 | 113.5 | F322 L323 | F322-F325 WeakPolarHBondContact O-CB 3.47Å; F322-F325 PolarHBondContact O-N 3.22Å; F322-F325 VanDerWaalsContact O-N 3.13Å; L323-F325 PolarHBondContact O-N 3.09Å; L323-F325 VanDerWaalsContact O-N 3.14Å |
| 326 | F | 57.6 | Low | 68.2 | Low | 174 Ų | 174 | 81.2 Ų | 81.2 | 76% | 0.763 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -119.9 | -9.5 | -176.5 | -58.3 | -69.7 | 0 | 0 | 0 | 113.4 | F322 L323 | F322-F326 WeakPolarHBondContact O-CD2 3.47Å; L323-F326 PolarHBondContact O-N 2.95Å; L323-F326 VanDerWaalsContact O-N 3.12Å |
| 327 | V | 59.5 | Low | 69.2 | Low | 10 Ų | 10 | 77.5 Ų | 77.5 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -133.3 | 102.5 | -177.8 | -170.5 | 0 | 0 | 0 | 0 | 108.1 | L323 N329 S331 N336 | L323-V327 HydrophobicContact CD1-CG2 3.94Å; L323-V327 HydrophobicContact CG-CG2 4.19Å; L323-V327 WeakPolarHBondContact O-CB 3.18Å; L323-V327 PolarHBondContact O-N 2.94Å; V327-N329 PolarHBondContact O-N 2.8Å; V327-S331 VanDerWaalsContact CG1-OG 3.32Å; V327-S331 WeakPolarHBondContact CG1-OG 3.39Å; V327-N336 VanDerWaalsContact CG2-ND2 3.25Å; V327-N336 WeakPolarHBondContact CG2-ND2 3.42Å |
| 328 | D | 59.5 | Low | 70.4 | Confident | 130 Ų | 130 | 80.9 Ų | 80.9 | 70% | 0.695 | 42% | 0.416 | S | S | * | . | trans | -52.1 | 132.2 | 172.6 | -69.3 | -47.5 | 0 | 0 | 0 | 109.3 | E330 S331 | D328-E330 PolarHBondContact O-N 2.91Å; D328-E330 VanDerWaalsContact O-N 3.13Å; D328-S331 VanDerWaalsContact O-CB 3.31Å; D328-S331 WeakPolarHBondContact O-CB 3.42Å; D328-S331 PolarHBondContact O-N 2.84Å; D328-S331 PolarHBondContact O-OG 3Å | ||
| 329 | N | 56.4 | Low | 71.6 | Confident | 90 Ų | 90 | 78 Ų | 78 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.5 | -174 | -100.8 | -39.4 | 0 | 0 | 0 | 113.4 | N324 V327 S331 | N324-N329 PolarHBondContact OD1-ND2 2.77Å; V327-N329 PolarHBondContact O-N 2.8Å; N329-S331 VanDerWaalsContact C-N 3.33Å |
| 330 | E | 58.7 | Low | 72.7 | Confident | 198 Ų | 198 | 74.8 Ų | 74.8 | 93% | 0.925 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16.5 | 171.1 | -58.1 | -168.8 | 159.5 | 0 | 0 | 113.4 | D328 S332 | D328-E330 PolarHBondContact O-N 2.91Å; D328-E330 VanDerWaalsContact O-N 3.13Å; E330-S332 PolarHBondContact O-N 3.1Å |
| 331 | S | 67.7 | Low | 74 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 15% | 0.154 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -75.7 | 126.1 | -175.3 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | R317 V327 D328 N329 | R317-S331 PolarHBondContact NH1-O 3.33Å; R317-S331 PolarHBondContact NH2-O 3.16Å; V327-S331 VanDerWaalsContact CG1-OG 3.32Å; V327-S331 WeakPolarHBondContact CG1-OG 3.39Å; D328-S331 VanDerWaalsContact O-CB 3.31Å; D328-S331 WeakPolarHBondContact O-CB 3.42Å; D328-S331 PolarHBondContact O-N 2.84Å; D328-S331 PolarHBondContact O-OG 3Å; N329-S331 VanDerWaalsContact C-N 3.33Å |
| 332 | S | 81.9 | Confident | 75.5 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | trans | -66.8 | 143.8 | 176.2 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | E330 S334 Y335 N336 | E330-S332 PolarHBondContact O-N 3.1Å; S332-S334 PolarHBondContact O-N 3Å; S332-S334 PolarHBondContact OG-OG 2.84Å; S332-Y335 PolarHBondContact O-N 3.11Å; S332-Y335 VanDerWaalsContact OG-CB 3.3Å; S332-Y335 WeakPolarHBondContact OG-CB 3.23Å; S332-Y335 PolarHBondContact OG-N 2.99Å; S332-N336 PolarHBondContact O-N 3.26Å; S332-N336 VanDerWaalsContact O-N 3.16Å | ||
| 333 | P | 83.3 | Confident | 76.6 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 20% | 0.201 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -32.1 | -178.9 | 25.2 | -31.3 | 0 | 0 | 0 | 111.4 | L311 N312 N336 S337 | L311-P333 HydrophobicContact CB-CB 4.04Å; L311-P333 HydrophobicContact CD1-CB 4.35Å; N312-P333 WeakPolarHBondContact OD1-CB 3.42Å; N312-P333 VanDerWaalsContact OD1-CG 3.25Å; N312-P333 WeakPolarHBondContact OD1-CG 3.46Å; P333-N336 PolarHBondContact O-N 2.81Å; P333-S337 WeakPolarHBondContact O-CB 3.47Å; P333-S337 PolarHBondContact O-N 3.14Å; P333-S337 PolarHBondContact O-OG 3.37Å |
| 334 | S | 87.2 | Confident | 77.9 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 173.4 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | S332 F338 | S332-S334 PolarHBondContact O-N 3Å; S332-S334 PolarHBondContact OG-OG 2.84Å; S334-F338 WeakPolarHBondContact O-CB 3.44Å; S334-F338 PolarHBondContact O-N 2.86Å; S334-F338 VanDerWaalsContact O-N 3.08Å |
| 335 | Y | 87.8 | Confident | 79.7 | Confident | 103 Ų | 103 | 66 Ų | 66 | 40% | 0.404 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.2 | -44.2 | 174.8 | 176.3 | -107.3 | 0 | 0 | 0 | 111.6 | S332 S337 F338 L339 | S332-Y335 PolarHBondContact O-N 3.11Å; S332-Y335 VanDerWaalsContact OG-CB 3.3Å; S332-Y335 WeakPolarHBondContact OG-CB 3.23Å; S332-Y335 PolarHBondContact OG-N 2.99Å; Y335-S337 PolarHBondContact O-N 3.41Å; Y335-F338 WeakPolarHBondContact O-CB 3.35Å; Y335-F338 PolarHBondContact O-N 3.4Å; Y335-L339 HydrophobicContact CD1-CD1 4.31Å; Y335-L339 HydrophobicContact CE1-CD1 3.71Å; Y335-L339 HydrophobicContact CE1-CG 4.27Å; Y335-L339 HydrophobicContact CE2-CD2 4.45Å; Y335-L339 PolarHBondContact O-N 3.16Å |
| 336 | N | 86.1 | Confident | 81.1 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 175.1 | -172.6 | -13.1 | 0 | 0 | 0 | 111 | L311 V327 S332 P333 F338 L339 M340 | L311-N336 HydrophobicContact CD1-CB 3.99Å; V327-N336 VanDerWaalsContact CG2-ND2 3.25Å; V327-N336 WeakPolarHBondContact CG2-ND2 3.42Å; S332-N336 PolarHBondContact O-N 3.26Å; S332-N336 VanDerWaalsContact O-N 3.16Å; P333-N336 PolarHBondContact O-N 2.81Å; N336-F338 PolarHBondContact O-N 3.02Å; N336-L339 WeakPolarHBondContact O-CA 3.49Å; N336-L339 WeakPolarHBondContact O-CB 3.32Å; N336-L339 PolarHBondContact O-N 3.15Å; N336-M340 WeakPolarHBondContact O-CG 3.22Å; N336-M340 PolarHBondContact O-N 3.33Å; N336-M340 WeakPolarHBondContact OD1-CE 3.36Å |
| 337 | S | 90 | Very high | 82.8 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67 | -22.5 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 114.1 | S304 S307 I308 P333 Y335 F341 | S304-S337 WeakPolarHBondContact CB-O 3.46Å; S304-S337 PolarHBondContact OG-O 3.06Å; S307-S337 WeakPolarHBondContact CB-OG 3.41Å; S307-S337 PolarHBondContact OG-OG 3.05Å; I308-S337 WeakPolarHBondContact CA-OG 3.25Å; I308-S337 WeakPolarHBondContact CB-OG 3.29Å; I308-S337 PolarHBondContact N-OG 3.26Å; P333-S337 WeakPolarHBondContact O-CB 3.47Å; P333-S337 PolarHBondContact O-N 3.14Å; P333-S337 PolarHBondContact O-OG 3.37Å; Y335-S337 PolarHBondContact O-N 3.41Å; S337-F341 PolarHBondContact O-N 3.33Å; S337-F341 VanDerWaalsContact O-N 3.16Å |
| 338 | F | 91.8 | Very high | 84.4 | Confident | 110 Ų | 110 | 49.2 Ų | 49.2 | 48% | 0.482 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 167.1 | 173.1 | -96.1 | 0 | 0 | 0 | 112.1 | S334 Y335 N336 F341 W342 | S334-F338 WeakPolarHBondContact O-CB 3.44Å; S334-F338 PolarHBondContact O-N 2.86Å; S334-F338 VanDerWaalsContact O-N 3.08Å; Y335-F338 WeakPolarHBondContact O-CB 3.35Å; Y335-F338 PolarHBondContact O-N 3.4Å; N336-F338 PolarHBondContact O-N 3.02Å; F338-F341 WeakPolarHBondContact O-CB 3.42Å; F338-F341 PolarHBondContact O-N 2.79Å; F338-W342 AromaticContact CE1-CD1 3.97Å; F338-W342 AromaticContact CE1-NE1 3.75Å; F338-W342 AromaticContact CE2-NE1 3.41Å; F338-W342 AromaticContact CZ-CD1 3.93Å; F338-W342 AromaticContact CZ-NE1 3.23Å; F338-W342 VanDerWaalsContact O-CD1 3.22Å |
| 339 | L | 89.9 | Confident | 85.9 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 171 | -62.3 | 178.5 | 0 | 0 | 0 | 111.3 | Q61 I62 Y335 N336 F341 W342 A343 | Q61-L339 HydrophobicContact CB-CD1 4.25Å; Q61-L339 HydrophobicContact CB-CD2 3.91Å; I62-L339 HydrophobicContact CD1-CD2 4.49Å; I62-L339 HydrophobicContact CG1-CD2 4.2Å; Y335-L339 HydrophobicContact CD1-CD1 4.31Å; Y335-L339 HydrophobicContact CE1-CD1 3.71Å; Y335-L339 HydrophobicContact CE1-CG 4.27Å; Y335-L339 HydrophobicContact CE2-CD2 4.45Å; Y335-L339 PolarHBondContact O-N 3.16Å; N336-L339 WeakPolarHBondContact O-CA 3.49Å; N336-L339 WeakPolarHBondContact O-CB 3.32Å; N336-L339 PolarHBondContact O-N 3.15Å; L339-F341 VanDerWaalsContact C-N 3.27Å; L339-F341 PolarHBondContact O-N 2.72Å; L339-W342 PolarHBondContact O-N 2.91Å; L339-A343 PolarHBondContact O-N 3.13Å |
| 340 | M | 90.7 | Very high | 87.5 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -28.4 | 177.7 | -66.4 | -64.5 | 162.3 | 0 | 0 | 113.7 | N336 W342 S344 | N336-M340 WeakPolarHBondContact O-CG 3.22Å; N336-M340 PolarHBondContact O-N 3.33Å; N336-M340 WeakPolarHBondContact OD1-CE 3.36Å; M340-W342 VanDerWaalsContact C-N 3.35Å; M340-S344 VanDerWaalsContact O-CB 3.31Å; M340-S344 WeakPolarHBondContact O-CB 3.41Å; M340-S344 PolarHBondContact O-N 3.25Å; M340-S344 PolarHBondContact O-OG 3.03Å |
| 341 | F | 94.7 | Very high | 89.2 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 170.4 | 177.6 | -91.2 | 0 | 0 | 0 | 111.7 | I297 C300 F301 S337 F338 L339 S344 A345 | I297-F341 HydrophobicContact CG2-CZ 4.46Å; C300-F341 HydrophobicContact CB-CD2 3.68Å; C300-F341 HydrophobicContact CB-CE2 3.61Å; C300-F341 HydrophobicContact CB-CG 4.31Å; C300-F341 HydrophobicContact CB-CZ 4.2Å; F301-F341 HydrophobicContact CD1-CD2 4.03Å; F301-F341 AromaticContact CD1-CE2 3.83Å; F301-F341 HydrophobicContact CD1-CE2 3.83Å; F301-F341 AromaticContact CD2-CE2 3.87Å; F301-F341 HydrophobicContact CD2-CE2 3.87Å; F301-F341 HydrophobicContact CE1-CD2 4.25Å; F301-F341 AromaticContact CE1-CE2 3.89Å; F301-F341 HydrophobicContact CE1-CE2 3.89Å; F301-F341 AromaticContact CE2-CE2 3.94Å; F301-F341 HydrophobicContact CE2-CE2 3.94Å; F301-F341 HydrophobicContact CE2-CZ 4.36Å; F301-F341 HydrophobicContact CG-CD2 4.28Å; F301-F341 AromaticContact CG-CE2 3.8Å; F301-F341 HydrophobicContact CG-CE2 3.8Å; F301-F341 AromaticContact CZ-CE2 3.94Å; F301-F341 HydrophobicContact CZ-CE2 3.94Å; F301-F341 HydrophobicContact CZ-CZ 4.35Å; S337-F341 PolarHBondContact O-N 3.33Å; S337-F341 VanDerWaalsContact O-N 3.16Å; F338-F341 WeakPolarHBondContact O-CB 3.42Å; F338-F341 PolarHBondContact O-N 2.79Å; L339-F341 VanDerWaalsContact C-N 3.27Å; L339-F341 PolarHBondContact O-N 2.72Å; F341-S344 PolarHBondContact O-OG 3.24Å; F341-S344 VanDerWaalsContact O-OG 3.11Å; F341-A345 PolarHBondContact O-N 2.67Å |
| 342 | W | 92.9 | Very high | 90.2 | Very high | 64 Ų | 64 | 31.3 Ų | 31.3 | 24% | 0.242 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -81.3 | -34.6 | -179.7 | -63.1 | 110.3 | 0 | 0 | 0 | 112.9 | F52 L56 I62 F338 L339 M340 A345 I346 | F52-W342 HydrophobicContact CE1-CZ3 4.2Å; F52-W342 HydrophobicContact CZ-CH2 4.32Å; F52-W342 AromaticContact CZ-CZ3 3.92Å; F52-W342 HydrophobicContact CZ-CZ3 3.92Å; L56-W342 HydrophobicContact CD1-CE3 3.67Å; L56-W342 HydrophobicContact CD1-CZ3 3.89Å; L56-W342 HydrophobicContact CD2-CD2 4.3Å; L56-W342 HydrophobicContact CD2-CE3 3.87Å; L56-W342 HydrophobicContact CD2-CZ3 4.24Å; L56-W342 HydrophobicContact CG-CE3 4.46Å; I62-W342 HydrophobicContact CD1-CB 3.82Å; I62-W342 HydrophobicContact CD1-CG 4.25Å; I62-W342 HydrophobicContact CG2-CB 3.79Å; F338-W342 AromaticContact CE1-CD1 3.97Å; F338-W342 AromaticContact CE1-NE1 3.75Å; F338-W342 AromaticContact CE2-NE1 3.41Å; F338-W342 AromaticContact CZ-CD1 3.93Å; F338-W342 AromaticContact CZ-NE1 3.23Å; F338-W342 VanDerWaalsContact O-CD1 3.22Å; L339-W342 PolarHBondContact O-N 2.91Å; M340-W342 VanDerWaalsContact C-N 3.35Å; W342-A345 WeakPolarHBondContact O-CB 3.41Å; W342-A345 PolarHBondContact O-N 2.91Å; W342-I346 PolarHBondContact O-N 3Å; W342-I346 VanDerWaalsContact O-N 3.09Å |
| 343 | A | 91.7 | Very high | 90.5 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I62 L339 A345 I346 L347 | I62-A343 HydrophobicContact CG2-CB 4.17Å; L339-A343 PolarHBondContact O-N 3.13Å; A343-A345 VanDerWaalsContact C-N 3.31Å; A343-A345 PolarHBondContact O-N 3.37Å; A343-I346 PolarHBondContact O-N 2.66Å; A343-I346 VanDerWaalsContact O-N 3.16Å; A343-L347 PolarHBondContact O-N 3.13Å |
| 344 | S | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -30.3 | 173.9 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | M340 F341 I346 L347 F348 S1110 | M340-S344 VanDerWaalsContact O-CB 3.31Å; M340-S344 WeakPolarHBondContact O-CB 3.41Å; M340-S344 PolarHBondContact O-N 3.25Å; M340-S344 PolarHBondContact O-OG 3.03Å; F341-S344 PolarHBondContact O-OG 3.24Å; F341-S344 VanDerWaalsContact O-OG 3.11Å; S344-I346 VanDerWaalsContact C-N 3.34Å; S344-I346 PolarHBondContact O-N 3.15Å; S344-L347 PolarHBondContact O-N 3.09Å; S344-F348 WeakPolarHBondContact O-CB 3.25Å; S344-F348 WeakPolarHBondContact O-CD2 3.4Å; S344-F348 WeakPolarHBondContact O-CG 3.32Å; S344-F348 PolarHBondContact O-N 3.39Å; S344-S1110 PolarHBondContact N-OG 2.98Å |
| 345 | A | 93.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | C300 F341 W342 A343 Q349 | C300-A345 VanDerWaalsContact SG-CA 3.51Å; C300-A345 PolarHBondContact SG-N 3.42Å; F341-A345 PolarHBondContact O-N 2.67Å; W342-A345 WeakPolarHBondContact O-CB 3.41Å; W342-A345 PolarHBondContact O-N 2.91Å; A343-A345 VanDerWaalsContact C-N 3.31Å; A343-A345 PolarHBondContact O-N 3.37Å; A345-Q349 PolarHBondContact O-N 3.39Å |
| 346 | I | 90.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -75.1 | -41.3 | 173.4 | -62.9 | 170 | 0 | 0 | 0 | 111 | L56 N57 I62 A64 Y65 W342 A343 S344 Q349 | L56-I346 HydrophobicContact CB-CD1 4.39Å; N57-I346 HydrophobicContact CB-CD1 4.13Å; I62-I346 HydrophobicContact CG2-CD1 3.98Å; I62-I346 VanDerWaalsContact O-CD1 3.31Å; I62-I346 WeakPolarHBondContact O-CD1 3.23Å; A64-I346 HydrophobicContact CB-CG2 3.82Å; Y65-I346 HydrophobicContact CE2-CG2 4.19Å; W342-I346 PolarHBondContact O-N 3Å; W342-I346 VanDerWaalsContact O-N 3.09Å; A343-I346 PolarHBondContact O-N 2.66Å; A343-I346 VanDerWaalsContact O-N 3.16Å; S344-I346 VanDerWaalsContact C-N 3.34Å; S344-I346 PolarHBondContact O-N 3.15Å; I346-Q349 VanDerWaalsContact O-CB 3.28Å; I346-Q349 WeakPolarHBondContact O-CB 3.37Å; I346-Q349 WeakPolarHBondContact O-CG 3.38Å; I346-Q349 PolarHBondContact O-N 2.85Å; I346-Q349 PolarHBondContact O-NE2 3.41Å |
| 347 | L | 91.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.3 | -50.9 | 175.6 | 176.9 | 66.5 | 0 | 0 | 0 | 111.6 | A343 S344 Q349 M1099 A1112 Q1119 | A343-L347 PolarHBondContact O-N 3.13Å; S344-L347 PolarHBondContact O-N 3.09Å; L347-Q349 VanDerWaalsContact C-N 3.28Å; L347-Q349 PolarHBondContact O-N 2.89Å; L347-M1099 HydrophobicContact CD1-SD 4.08Å; L347-M1099 HydrophobicContact CG-SD 4.47Å; L347-A1112 HydrophobicContact CD1-CB 3.72Å; L347-Q1119 PolarHBondContact O-NE2 3.16Å |
| 348 | F | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -83.7 | 3.8 | -177.1 | -56.7 | -35.4 | 0 | 0 | 0 | 113.7 | L296 L299 V303 S344 I350 M351 V1096 M1099 F1100 Q1103 | L296-F348 HydrophobicContact CD1-CB 3.4Å; L299-F348 HydrophobicContact CB-CD2 4.09Å; L299-F348 HydrophobicContact CB-CE2 4.01Å; V303-F348 HydrophobicContact CG2-CE2 3.91Å; V303-F348 HydrophobicContact CG2-CZ 4.06Å; S344-F348 WeakPolarHBondContact O-CB 3.25Å; S344-F348 WeakPolarHBondContact O-CD2 3.4Å; S344-F348 WeakPolarHBondContact O-CG 3.32Å; S344-F348 PolarHBondContact O-N 3.39Å; F348-I350 PolarHBondContact O-N 2.8Å; F348-M351 PolarHBondContact O-N 2.85Å; F348-V1096 HydrophobicContact CB-CG1 4.03Å; F348-V1096 HydrophobicContact CD1-CG1 4Å; F348-V1096 HydrophobicContact CG-CG1 4.13Å; F348-M1099 HydrophobicContact CD1-CB 4.34Å; F348-M1099 HydrophobicContact CE1-CB 3.99Å; F348-F1100 HydrophobicContact CE1-CB 3.99Å; F348-F1100 HydrophobicContact CE2-CD2 4.23Å; F348-F1100 HydrophobicContact CZ-CB 3.91Å; F348-F1100 AromaticContact CZ-CD2 3.95Å; F348-F1100 HydrophobicContact CZ-CD2 3.95Å; F348-F1100 HydrophobicContact CZ-CG 4.44Å; F348-Q1103 HydrophobicContact CZ-CG 4.07Å |
| 349 | Q | 91.4 | Very high | 90.7 | Very high | 36 Ų | 36 | 17.6 Ų | 17.6 | 17% | 0.168 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -51.9 | -33.7 | -172.9 | 73.6 | -176 | -71.7 | 0 | 0 | 113.8 | Y49 I53 A345 I346 L347 M351 I352 | Y49-Q349 WeakPolarHBondContact OH-CA 3.39Å; Y49-Q349 PolarHBondContact OH-O 3.06Å; I53-Q349 HydrophobicContact CG2-CB 4.05Å; A345-Q349 PolarHBondContact O-N 3.39Å; I346-Q349 VanDerWaalsContact O-CB 3.28Å; I346-Q349 WeakPolarHBondContact O-CB 3.37Å; I346-Q349 WeakPolarHBondContact O-CG 3.38Å; I346-Q349 PolarHBondContact O-N 2.85Å; I346-Q349 PolarHBondContact O-NE2 3.41Å; L347-Q349 VanDerWaalsContact C-N 3.28Å; L347-Q349 PolarHBondContact O-N 2.89Å; Q349-M351 PolarHBondContact O-N 2.97Å; Q349-M351 VanDerWaalsContact O-N 3.14Å; Q349-I352 PolarHBondContact O-N 3.38Å |
| 350 | I | 90.7 | Very high | 90.7 | Very high | 25 Ų | 25 | 16.8 Ų | 16.8 | 13% | 0.128 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -58.4 | -16.2 | 179.5 | 45.1 | 157.2 | 0 | 0 | 0 | 114.3 | F348 I352 N1092 M1095 V1096 M1099 Q1119 | F348-I350 PolarHBondContact O-N 2.8Å; I350-I352 PolarHBondContact O-N 2.91Å; I350-I352 VanDerWaalsContact O-N 3.13Å; I350-N1092 WeakPolarHBondContact O-CB 3.48Å; I350-N1092 PolarHBondContact O-OD1 3.37Å; I350-M1095 HydrophobicContact CB-CE 4.41Å; I350-M1095 HydrophobicContact CD1-CB 4.25Å; I350-M1095 HydrophobicContact CD1-CE 3.6Å; I350-M1095 HydrophobicContact CD1-CG 3.78Å; I350-M1095 HydrophobicContact CD1-SD 4.33Å; I350-M1095 HydrophobicContact CG2-CE 4.47Å; I350-V1096 HydrophobicContact CD1-CG2 3.58Å; I350-V1096 HydrophobicContact CG1-CG2 3.53Å; I350-M1099 HydrophobicContact CD1-CE 4.17Å; I350-M1099 HydrophobicContact CD1-SD 3.81Å; I350-Q1119 HydrophobicContact CG2-CG 4.4Å |
| 351 | M | 92.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -60.2 | -24.8 | 177.9 | -150.3 | 170.2 | 64.4 | 0 | 0 | 112.7 | C292 I295 L296 F348 Q349 P353 V1096 | C292-M351 HydrophobicContact CB-CE 4.07Å; C292-M351 WeakPolarHBondContact O-CE 3.45Å; I295-M351 HydrophobicContact CB-CE 3.85Å; I295-M351 HydrophobicContact CG2-CE 3.83Å; I295-M351 HydrophobicContact CG2-SD 4.15Å; L296-M351 HydrophobicContact CB-CE 3.91Å; F348-M351 PolarHBondContact O-N 2.85Å; Q349-M351 PolarHBondContact O-N 2.97Å; Q349-M351 VanDerWaalsContact O-N 3.14Å; M351-P353 WeakPolarHBondContact O-CD 3.45Å; M351-V1096 HydrophobicContact CB-CB 4.46Å; M351-V1096 HydrophobicContact CB-CG1 4.4Å; M351-V1096 HydrophobicContact CB-CG2 3.79Å; M351-V1096 HydrophobicContact CG-CB 4.3Å; M351-V1096 HydrophobicContact CG-CG1 4.28Å; M351-V1096 HydrophobicContact CG-CG2 4.1Å; M351-V1096 HydrophobicContact SD-CB 4.47Å; M351-V1096 HydrophobicContact SD-CG1 3.91Å |
| 352 | I | 90.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -101.1 | 107.3 | 171.1 | -45.7 | -170.1 | 0 | 0 | 0 | 107.2 | Y49 F50 I289 C292 V293 Q349 I350 I354 | Y49-I352 HydrophobicContact CD1-CB 4.19Å; Y49-I352 HydrophobicContact CD1-CD1 3.83Å; Y49-I352 HydrophobicContact CD1-CG1 4.41Å; Y49-I352 HydrophobicContact CD1-CG2 4.41Å; Y49-I352 HydrophobicContact CD2-CD1 3.91Å; Y49-I352 HydrophobicContact CE1-CB 3.77Å; Y49-I352 HydrophobicContact CE1-CD1 3.65Å; Y49-I352 HydrophobicContact CE1-CG1 3.89Å; Y49-I352 HydrophobicContact CE1-CG2 4.47Å; Y49-I352 HydrophobicContact CE2-CD1 3.72Å; Y49-I352 HydrophobicContact CG-CD1 3.95Å; F50-I352 HydrophobicContact CE1-CB 4.19Å; F50-I352 HydrophobicContact CE1-CG2 4.38Å; F50-I352 VanDerWaalsContact CE1-O 3.25Å; F50-I352 WeakPolarHBondContact CE1-O 3.39Å; F50-I352 HydrophobicContact CZ-CB 4.06Å; F50-I352 HydrophobicContact CZ-CG2 3.79Å; F50-I352 WeakPolarHBondContact CZ-O 3.46Å; I289-I352 HydrophobicContact CD1-CG2 4.3Å; I289-I352 HydrophobicContact CG1-CG2 4.24Å; I289-I352 HydrophobicContact CG2-CD1 4.17Å; I289-I352 HydrophobicContact CG2-CG2 4.04Å; C292-I352 HydrophobicContact CB-CD1 4.35Å; C292-I352 HydrophobicContact CB-CG1 4.1Å; V293-I352 HydrophobicContact CG2-CD1 3.51Å; Q349-I352 PolarHBondContact O-N 3.38Å; I350-I352 PolarHBondContact O-N 2.91Å; I350-I352 VanDerWaalsContact O-N 3.13Å; I352-I354 PolarHBondContact O-N 2.92Å |
| 353 | P | 87.5 | Confident | 90.4 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | trans | -77.1 | 107 | -170.1 | 26.6 | -33.9 | 0 | 0 | 0 | 113 | M351 S355 L356 F1088 F1089 | M351-P353 WeakPolarHBondContact O-CD 3.45Å; P353-S355 VanDerWaalsContact C-N 3.26Å; P353-S355 PolarHBondContact O-N 2.9Å; P353-L356 HydrophobicContact CB-CB 3.87Å; P353-L356 HydrophobicContact CG-CB 3.63Å; P353-L356 HydrophobicContact CG-CD2 3.87Å; P353-L356 HydrophobicContact CG-CG 4.39Å; P353-L356 WeakPolarHBondContact O-CB 3.35Å; P353-L356 PolarHBondContact O-N 2.99Å; P353-F1088 HydrophobicContact CB-CD1 4.11Å; P353-F1088 HydrophobicContact CG-CB 4.48Å; P353-F1089 HydrophobicContact CG-CE1 4.5Å | ||
| 354 | I | 86.9 | Confident | 90.5 | Very high | 42 Ų | 42 | 13.6 Ų | 13.6 | 22% | 0.215 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -50.9 | -48.2 | 170.1 | -61.9 | 179 | 0 | 0 | 0 | 110.7 | F50 P73 V77 I352 L356 Y357 | F50-I354 HydrophobicContact CD1-CD1 3.76Å; F50-I354 HydrophobicContact CD1-CG1 3.48Å; F50-I354 VanDerWaalsContact CD1-CG1 3.48Å; F50-I354 HydrophobicContact CD2-CG1 3.87Å; F50-I354 HydrophobicContact CE1-CB 4.45Å; F50-I354 HydrophobicContact CE1-CD1 3.96Å; F50-I354 HydrophobicContact CE1-CG1 3.21Å; F50-I354 HydrophobicContact CE2-CB 4.28Å; F50-I354 HydrophobicContact CE2-CG1 3.64Å; F50-I354 HydrophobicContact CG-CD1 4.13Å; F50-I354 HydrophobicContact CG-CG1 3.82Å; F50-I354 HydrophobicContact CZ-CB 4.16Å; F50-I354 HydrophobicContact CZ-CD1 4.47Å; F50-I354 HydrophobicContact CZ-CG1 3.33Å; P73-I354 HydrophobicContact CB-CD1 3.71Å; P73-I354 HydrophobicContact CB-CG2 4.11Å; P73-I354 HydrophobicContact CG-CD1 4.5Å; V77-I354 HydrophobicContact CG2-CG2 3.36Å; I352-I354 PolarHBondContact O-N 2.92Å; I354-L356 VanDerWaalsContact C-N 3.26Å; I354-L356 PolarHBondContact O-N 3.34Å; I354-Y357 PolarHBondContact O-N 3.43Å |
| 355 | S | 88.5 | Confident | 90.4 | Very high | 19 Ų | 19 | 16.9 Ų | 16.9 | 13% | 0.133 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.1 | -23.7 | -176.2 | 51.2 | 0 | 0 | 0 | 0 | 114 | P353 Y357 V358 T359 N1123 | P353-S355 VanDerWaalsContact C-N 3.26Å; P353-S355 PolarHBondContact O-N 2.9Å; S355-Y357 VanDerWaalsContact C-N 3.25Å; S355-Y357 PolarHBondContact O-N 2.81Å; S355-V358 PolarHBondContact O-N 2.95Å; S355-T359 PolarHBondContact O-N 3.21Å; S355-T359 PolarHBondContact O-OG1 2.88Å; S355-T359 VanDerWaalsContact O-OG1 3.13Å; S355-N1123 PolarHBondContact OG-OD1 2.82Å |
| 356 | L | 88.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.8 | -41.4 | 176.7 | 171.4 | 59.7 | 0 | 0 | 0 | 110.9 | P353 I354 T359 M360 I1085 F1088 F1089 | P353-L356 HydrophobicContact CB-CB 3.87Å; P353-L356 HydrophobicContact CG-CB 3.63Å; P353-L356 HydrophobicContact CG-CD2 3.87Å; P353-L356 HydrophobicContact CG-CG 4.39Å; P353-L356 WeakPolarHBondContact O-CB 3.35Å; P353-L356 PolarHBondContact O-N 2.99Å; I354-L356 VanDerWaalsContact C-N 3.26Å; I354-L356 PolarHBondContact O-N 3.34Å; L356-T359 PolarHBondContact O-N 2.83Å; L356-M360 HydrophobicContact CD1-CE 4.39Å; L356-M360 HydrophobicContact CD1-CG 3.62Å; L356-M360 HydrophobicContact CD1-SD 3.89Å; L356-M360 HydrophobicContact CG-CE 3.98Å; L356-M360 HydrophobicContact CG-CG 4.21Å; L356-M360 HydrophobicContact CG-SD 4.11Å; L356-M360 WeakPolarHBondContact O-CB 3.37Å; L356-M360 WeakPolarHBondContact O-CG 3.45Å; L356-M360 PolarHBondContact O-N 2.82Å; L356-I1085 HydrophobicContact CD1-CG1 4.18Å; L356-I1085 HydrophobicContact CD2-CG2 4.43Å; L356-F1088 HydrophobicContact CB-CB 4.27Å; L356-F1088 HydrophobicContact CB-CD1 3.77Å; L356-F1088 HydrophobicContact CB-CE1 4.3Å; L356-F1088 HydrophobicContact CB-CG 4.06Å; L356-F1088 HydrophobicContact CD1-CB 3.73Å; L356-F1088 HydrophobicContact CD1-CD1 4.3Å; L356-F1088 HydrophobicContact CD1-CD2 3.89Å; L356-F1088 HydrophobicContact CD1-CG 3.72Å; L356-F1088 HydrophobicContact CD2-CB 4.29Å; L356-F1088 HydrophobicContact CG-CB 4.3Å; L356-F1088 HydrophobicContact CG-CG 4.39Å; L356-F1089 HydrophobicContact CD2-CE2 4.18Å; L356-F1089 HydrophobicContact CD2-CZ 4.34Å |
| 357 | Y | 85.7 | Confident | 90.6 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 2% | 0.02 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 179.5 | -74.9 | -83.1 | 0 | 0 | 0 | 111.9 | A46 N286 I289 I354 S355 T359 M360 E361 | A46-Y357 HydrophobicContact CB-CD2 4.3Å; A46-Y357 HydrophobicContact CB-CE2 3.34Å; A46-Y357 WeakPolarHBondContact CB-OH 3.27Å; N286-Y357 PolarHBondContact OD1-OH 3.38Å; I289-Y357 HydrophobicContact CD1-CE2 4.17Å; I289-Y357 WeakPolarHBondContact CD1-OH 3.35Å; I354-Y357 PolarHBondContact O-N 3.43Å; S355-Y357 VanDerWaalsContact C-N 3.25Å; S355-Y357 PolarHBondContact O-N 2.81Å; Y357-T359 PolarHBondContact O-N 3.23Å; Y357-M360 HydrophobicContact CD1-CE 3.76Å; Y357-M360 HydrophobicContact CE1-CE 4.02Å; Y357-M360 HydrophobicContact CG-CE 4.24Å; Y357-M360 PolarHBondContact O-N 2.95Å; Y357-E361 VanDerWaalsContact O-CG 3.25Å; Y357-E361 WeakPolarHBondContact O-CG 3.22Å; Y357-E361 PolarHBondContact O-N 2.96Å; Y357-E361 VanDerWaalsContact O-N 3.07Å |
| 358 | V | 88 | Confident | 90.7 | Very high | 16 Ų | 16 | 17.5 Ų | 17.5 | 10% | 0.097 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 177.2 | 177 | 0 | 0 | 0 | 0 | 111.2 | F76 V77 V80 S355 M360 E361 L362 | F76-V358 HydrophobicContact CD1-CG2 4.44Å; F76-V358 HydrophobicContact CE1-CG1 4.33Å; F76-V358 HydrophobicContact CE1-CG2 4.33Å; V77-V358 HydrophobicContact CB-CG2 4.11Å; V77-V358 HydrophobicContact CG1-CG2 4.04Å; V77-V358 HydrophobicContact CG2-CG2 3.64Å; V80-V358 HydrophobicContact CG1-CG1 4.3Å; S355-V358 PolarHBondContact O-N 2.95Å; V358-M360 PolarHBondContact O-N 2.75Å; V358-E361 PolarHBondContact O-N 3.18Å; V358-L362 HydrophobicContact CG1-CD1 3.91Å; V358-L362 HydrophobicContact CG1-CG 4.36Å; V358-L362 WeakPolarHBondContact O-CG 3.4Å; V358-L362 PolarHBondContact O-N 3.2Å |
| 359 | T | 91.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 179.2 | -53.2 | 0 | 0 | 0 | 0 | 112 | S355 L356 Y357 L362 V363 L1084 F1088 M1132 | S355-T359 PolarHBondContact O-N 3.21Å; S355-T359 PolarHBondContact O-OG1 2.88Å; S355-T359 VanDerWaalsContact O-OG1 3.13Å; L356-T359 PolarHBondContact O-N 2.83Å; Y357-T359 PolarHBondContact O-N 3.23Å; T359-L362 PolarHBondContact O-N 3.49Å; T359-V363 HydrophobicContact CG2-CG2 4.16Å; T359-V363 WeakPolarHBondContact O-CB 3.48Å; T359-V363 WeakPolarHBondContact O-CG2 3.48Å; T359-V363 PolarHBondContact O-N 3.23Å; T359-L1084 HydrophobicContact CG2-CD2 4.41Å; T359-F1088 HydrophobicContact CG2-CE2 3.87Å; T359-F1088 HydrophobicContact CG2-CZ 3.97Å; T359-F1088 WeakPolarHBondContact OG1-CZ 3.3Å; T359-M1132 HydrophobicContact CG2-CB 4Å; T359-M1132 HydrophobicContact CG2-CG 4.36Å |
| 360 | M | 90 | Very high | 90.8 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.2 | -74.5 | -169.9 | -56.5 | 0 | 0 | 112.1 | L356 Y357 V358 V363 K364 L1081 I1085 | L356-M360 HydrophobicContact CD1-CE 4.39Å; L356-M360 HydrophobicContact CD1-CG 3.62Å; L356-M360 HydrophobicContact CD1-SD 3.89Å; L356-M360 HydrophobicContact CG-CE 3.98Å; L356-M360 HydrophobicContact CG-CG 4.21Å; L356-M360 HydrophobicContact CG-SD 4.11Å; L356-M360 WeakPolarHBondContact O-CB 3.37Å; L356-M360 WeakPolarHBondContact O-CG 3.45Å; L356-M360 PolarHBondContact O-N 2.82Å; Y357-M360 HydrophobicContact CD1-CE 3.76Å; Y357-M360 HydrophobicContact CE1-CE 4.02Å; Y357-M360 HydrophobicContact CG-CE 4.24Å; Y357-M360 PolarHBondContact O-N 2.95Å; V358-M360 PolarHBondContact O-N 2.75Å; M360-V363 PolarHBondContact O-N 2.87Å; M360-K364 VanDerWaalsContact O-CG 3.31Å; M360-K364 WeakPolarHBondContact O-CG 3.33Å; M360-K364 PolarHBondContact O-N 2.87Å; M360-L1081 HydrophobicContact CB-CD1 4.13Å; M360-L1081 HydrophobicContact CG-CD1 3.71Å; M360-L1081 HydrophobicContact SD-CD1 4.25Å; M360-I1085 HydrophobicContact CG-CG1 4.49Å; M360-I1085 HydrophobicContact SD-CD1 3.93Å; M360-I1085 HydrophobicContact SD-CG1 3.71Å |
| 361 | E | 88 | Confident | 91 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | -179.1 | -60.6 | -72.8 | -169.1 | 0 | 0 | 111.7 | R44 T81 K84 Y357 V358 K364 I365 | R44-E361 IonicContact CZ-OE1 3.28Å; R44-E361 VanDerWaalsContact CZ-OE1 3.32Å; R44-E361 IonicContact NH1-OE1 3.79Å; R44-E361 PolarHBondContact NH1-OE1 2.98Å; R44-E361 IonicContact NH2-OE1 2.76Å; R44-E361 PolarHBondContact NH2-OE1 3.36Å; T81-E361 HydrophobicContact CG2-CG 4.22Å; K84-E361 HydrophobicContact CD-CB 4.46Å; K84-E361 IonicContact NZ-OE2 2.72Å; K84-E361 PolarHBondContact NZ-OE2 2.72Å; Y357-E361 VanDerWaalsContact O-CG 3.25Å; Y357-E361 WeakPolarHBondContact O-CG 3.22Å; Y357-E361 PolarHBondContact O-N 2.96Å; Y357-E361 VanDerWaalsContact O-N 3.07Å; V358-E361 PolarHBondContact O-N 3.18Å; E361-K364 PolarHBondContact O-N 2.8Å; E361-I365 WeakPolarHBondContact O-CG1 3.21Å; E361-I365 PolarHBondContact O-N 2.72Å; E361-I365 VanDerWaalsContact O-N 3.11Å |
| 362 | L | 90.8 | Very high | 90.9 | Very high | 73 Ų | 73 | 23.9 Ų | 23.9 | 38% | 0.382 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 172.8 | -69.4 | 174.1 | 0 | 0 | 0 | 112.1 | V358 T359 K364 I365 G366 M1132 | V358-L362 HydrophobicContact CG1-CD1 3.91Å; V358-L362 HydrophobicContact CG1-CG 4.36Å; V358-L362 WeakPolarHBondContact O-CG 3.4Å; V358-L362 PolarHBondContact O-N 3.2Å; T359-L362 PolarHBondContact O-N 3.49Å; L362-K364 PolarHBondContact O-N 3.46Å; L362-I365 PolarHBondContact O-N 3.47Å; L362-G366 PolarHBondContact O-N 2.98Å; L362-M1132 HydrophobicContact CB-SD 4.3Å; L362-M1132 HydrophobicContact CD1-SD 4.21Å |
| 363 | V | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.8 | 162.1 | 0 | 0 | 0 | 0 | 111.3 | T359 M360 I365 G366 Q367 L1081 L1084 M1132 G1135 I1136 | T359-V363 HydrophobicContact CG2-CG2 4.16Å; T359-V363 WeakPolarHBondContact O-CB 3.48Å; T359-V363 WeakPolarHBondContact O-CG2 3.48Å; T359-V363 PolarHBondContact O-N 3.23Å; M360-V363 PolarHBondContact O-N 2.87Å; V363-I365 VanDerWaalsContact C-N 3.34Å; V363-I365 PolarHBondContact O-N 3.06Å; V363-G366 PolarHBondContact O-N 2.92Å; V363-Q367 HydrophobicContact CG1-CG 4.36Å; V363-Q367 WeakPolarHBondContact O-CB 3.34Å; V363-Q367 VanDerWaalsContact O-CG 3.31Å; V363-Q367 WeakPolarHBondContact O-CG 3.46Å; V363-Q367 PolarHBondContact O-N 3.38Å; V363-L1081 HydrophobicContact CG1-CD1 4.43Å; V363-L1084 HydrophobicContact CB-CD2 4.29Å; V363-L1084 HydrophobicContact CG1-CD2 4.25Å; V363-L1084 HydrophobicContact CG2-CD2 3.79Å; V363-M1132 HydrophobicContact CG2-CG 4.1Å; V363-G1135 WeakPolarHBondContact CG1-O 3.27Å; V363-I1136 HydrophobicContact CB-CG1 4.37Å; V363-I1136 HydrophobicContact CG1-CG1 4.45Å; V363-I1136 HydrophobicContact CG2-CG1 4.1Å |
| 364 | K | 92.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.022 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.9 | -74.6 | 178.6 | 178.3 | -162.3 | 0 | 112.4 | M360 E361 L362 Q367 V368 N392 P394 E395 | M360-K364 VanDerWaalsContact O-CG 3.31Å; M360-K364 WeakPolarHBondContact O-CG 3.33Å; M360-K364 PolarHBondContact O-N 2.87Å; E361-K364 PolarHBondContact O-N 2.8Å; L362-K364 PolarHBondContact O-N 3.46Å; K364-Q367 PolarHBondContact O-N 3.09Å; K364-V368 WeakPolarHBondContact O-CB 3.21Å; K364-V368 WeakPolarHBondContact O-CG2 3.5Å; K364-V368 PolarHBondContact O-N 3.3Å; K364-N392 PolarHBondContact NZ-O 2.96Å; K364-P394 HydrophobicContact CB-CG 4.02Å; K364-P394 HydrophobicContact CD-CG 4.43Å; K364-P394 HydrophobicContact CG-CG 3.82Å; K364-E395 VanDerWaalsContact CE-OE1 3.3Å; K364-E395 WeakPolarHBondContact CE-OE1 3.46Å; K364-E395 WeakPolarHBondContact CE-OE2 3.39Å; K364-E395 VanDerWaalsContact NZ-CD 3.26Å; K364-E395 IonicContact NZ-OE1 3.46Å; K364-E395 PolarHBondContact NZ-OE1 2.89Å; K364-E395 IonicContact NZ-OE2 3.5Å; K364-E395 PolarHBondContact NZ-OE2 3.46Å; K364-E395 VanDerWaalsContact NZ-OE2 3.08Å |
| 365 | I | 91.2 | Very high | 91.6 | Very high | 69 Ų | 69 | 33.2 Ų | 33.2 | 35% | 0.354 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 174.9 | -65.8 | 162.4 | 0 | 0 | 0 | 110.5 | K84 E361 L362 V363 V368 F369 | K84-I365 HydrophobicContact CD-CD1 4.32Å; K84-I365 HydrophobicContact CG-CD1 4.13Å; E361-I365 WeakPolarHBondContact O-CG1 3.21Å; E361-I365 PolarHBondContact O-N 2.72Å; E361-I365 VanDerWaalsContact O-N 3.11Å; L362-I365 PolarHBondContact O-N 3.47Å; V363-I365 VanDerWaalsContact C-N 3.34Å; V363-I365 PolarHBondContact O-N 3.06Å; I365-V368 PolarHBondContact O-N 3.19Å; I365-F369 WeakPolarHBondContact O-CB 3.32Å; I365-F369 PolarHBondContact O-N 3.36Å |
| 366 | G | 93.8 | Very high | 91.8 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L362 V363 F369 L370 | L362-G366 PolarHBondContact O-N 2.98Å; V363-G366 PolarHBondContact O-N 2.92Å; G366-F369 PolarHBondContact O-N 2.9Å; G366-L370 WeakPolarHBondContact O-CG 3.45Å; G366-L370 PolarHBondContact O-N 3.3Å |
| 367 | Q | 95.1 | Very high | 92 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 174.8 | -73.7 | 174.2 | 0.6 | 0 | 0 | 111.9 | V363 K364 F369 L370 I371 G1135 | V363-Q367 HydrophobicContact CG1-CG 4.36Å; V363-Q367 WeakPolarHBondContact O-CB 3.34Å; V363-Q367 VanDerWaalsContact O-CG 3.31Å; V363-Q367 WeakPolarHBondContact O-CG 3.46Å; V363-Q367 PolarHBondContact O-N 3.38Å; K364-Q367 PolarHBondContact O-N 3.09Å; Q367-F369 VanDerWaalsContact C-N 3.34Å; Q367-F369 PolarHBondContact O-N 3.26Å; Q367-L370 PolarHBondContact O-N 2.88Å; Q367-I371 WeakPolarHBondContact O-CG1 3.47Å; Q367-I371 PolarHBondContact O-N 2.66Å; Q367-G1135 PolarHBondContact NE2-O 2.96Å |
| 368 | V | 93.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 175.2 | 161.5 | 0 | 0 | 0 | 0 | 112 | K364 I365 I371 G372 C388 L391 P394 | K364-V368 WeakPolarHBondContact O-CB 3.21Å; K364-V368 WeakPolarHBondContact O-CG2 3.5Å; K364-V368 PolarHBondContact O-N 3.3Å; I365-V368 PolarHBondContact O-N 3.19Å; V368-I371 PolarHBondContact O-N 3.38Å; V368-G372 PolarHBondContact O-N 2.84Å; V368-C388 HydrophobicContact CB-CB 4.44Å; V368-C388 HydrophobicContact CG1-CB 3.56Å; V368-C388 HydrophobicContact CG2-CB 4.16Å; V368-L391 HydrophobicContact CB-CD2 4.42Å; V368-L391 HydrophobicContact CG1-CD2 3.79Å; V368-L391 HydrophobicContact CG2-CD2 4.39Å; V368-P394 HydrophobicContact CG2-CB 4.3Å; V368-P394 HydrophobicContact CG2-CG 4.42Å |
| 369 | F | 92.7 | Very high | 92.3 | Very high | 126 Ų | 126 | 42 Ų | 42 | 55% | 0.553 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.1 | -43.9 | 175.1 | 177.9 | -96 | 0 | 0 | 0 | 111.6 | I365 G366 Q367 I371 G372 Q373 | I365-F369 WeakPolarHBondContact O-CB 3.32Å; I365-F369 PolarHBondContact O-N 3.36Å; G366-F369 PolarHBondContact O-N 2.9Å; Q367-F369 VanDerWaalsContact C-N 3.34Å; Q367-F369 PolarHBondContact O-N 3.26Å; F369-I371 PolarHBondContact O-N 3.18Å; F369-G372 CarbonylContact O-C 3.5Å; F369-G372 PolarHBondContact O-N 3.41Å; F369-Q373 HydrophobicContact CD1-CG 4.3Å; F369-Q373 HydrophobicContact CD2-CG 4.48Å; F369-Q373 HydrophobicContact CE1-CG 3.94Å; F369-Q373 HydrophobicContact CE2-CG 4.13Å; F369-Q373 HydrophobicContact CZ-CG 3.85Å; F369-Q373 VanDerWaalsContact O-CG 3.28Å; F369-Q373 WeakPolarHBondContact O-CG 3.47Å; F369-Q373 PolarHBondContact O-N 3.39Å |
| 370 | L | 94.2 | Very high | 92.1 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.4 | -68.4 | 172.6 | 0 | 0 | 0 | 112.9 | G366 Q367 G372 Q373 D374 I1136 L1137 | G366-L370 WeakPolarHBondContact O-CG 3.45Å; G366-L370 PolarHBondContact O-N 3.3Å; Q367-L370 PolarHBondContact O-N 2.88Å; L370-G372 VanDerWaalsContact C-N 3.34Å; L370-Q373 PolarHBondContact O-N 3.06Å; L370-D374 PolarHBondContact O-N 3.32Å; L370-I1136 HydrophobicContact CD1-CG2 3.79Å; L370-I1136 WeakPolarHBondContact CD1-O 3.49Å; L370-L1137 HydrophobicContact CD1-CD2 4.13Å |
| 371 | I | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 173.2 | -65.2 | 165.7 | 0 | 0 | 0 | 110 | Q367 V368 F369 Q373 D374 L377 V386 L1069 H1073 | Q367-I371 WeakPolarHBondContact O-CG1 3.47Å; Q367-I371 PolarHBondContact O-N 2.66Å; V368-I371 PolarHBondContact O-N 3.38Å; F369-I371 PolarHBondContact O-N 3.18Å; I371-Q373 PolarHBondContact O-N 3.49Å; I371-Q373 VanDerWaalsContact O-N 3.14Å; I371-D374 PolarHBondContact O-N 2.81Å; I371-L377 HydrophobicContact CG2-CD1 4.01Å; I371-V386 HydrophobicContact CG2-CG1 4.14Å; I371-L1069 HydrophobicContact CG2-CD1 3.96Å; I371-H1073 HydrophobicContact CD1-CB 4.28Å; I371-H1073 HydrophobicContact CG1-CB 3.95Å |
| 372 | G | 91.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -0.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V368 F369 L370 K385 | V368-G372 PolarHBondContact O-N 2.84Å; F369-G372 CarbonylContact O-C 3.5Å; F369-G372 PolarHBondContact O-N 3.41Å; L370-G372 VanDerWaalsContact C-N 3.34Å; G372-K385 PolarHBondContact O-NZ 2.77Å |
| 373 | Q | 91.6 | Very high | 90.8 | Very high | 116 Ų | 116 | 57.7 Ų | 57.7 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 0.5 | 176.5 | -63 | -67.7 | 4.3 | 0 | 0 | 113.2 | F369 L370 I371 S375 | F369-Q373 HydrophobicContact CD1-CG 4.3Å; F369-Q373 HydrophobicContact CD2-CG 4.48Å; F369-Q373 HydrophobicContact CE1-CG 3.94Å; F369-Q373 HydrophobicContact CE2-CG 4.13Å; F369-Q373 HydrophobicContact CZ-CG 3.85Å; F369-Q373 VanDerWaalsContact O-CG 3.28Å; F369-Q373 WeakPolarHBondContact O-CG 3.47Å; F369-Q373 PolarHBondContact O-N 3.39Å; L370-Q373 PolarHBondContact O-N 3.06Å; I371-Q373 PolarHBondContact O-N 3.49Å; I371-Q373 VanDerWaalsContact O-N 3.14Å; Q373-S375 PolarHBondContact O-N 2.99Å |
| 374 | D | 94.3 | Very high | 90.3 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | trans | -73.7 | 112.2 | 179.5 | -170.8 | -12.8 | 0 | 0 | 0 | 111.2 | L370 I371 K376 L377 R1068 H1073 | L370-D374 PolarHBondContact O-N 3.32Å; I371-D374 PolarHBondContact O-N 2.81Å; D374-K376 PolarHBondContact O-N 2.85Å; D374-K376 WeakPolarHBondContact OD1-CB 3.23Å; D374-K376 PolarHBondContact OD1-N 2.96Å; D374-L377 HydrophobicContact CB-CB 4.22Å; D374-L377 HydrophobicContact CB-CD1 4.07Å; D374-L377 HydrophobicContact CB-CG 4.01Å; D374-L377 WeakPolarHBondContact O-CA 3.49Å; D374-L377 WeakPolarHBondContact O-CB 3.31Å; D374-L377 PolarHBondContact O-N 3.18Å; D374-R1068 IonicContact OD1-NE 3.2Å; D374-R1068 IonicContact OD1-NH2 3.87Å; D374-R1068 IonicContact OD2-CZ 3.53Å; D374-R1068 IonicContact OD2-NE 3.45Å; D374-R1068 PolarHBondContact OD2-NE 2.85Å; D374-R1068 IonicContact OD2-NH2 3.48Å; D374-R1068 PolarHBondContact OD2-NH2 3.43Å; D374-H1073 IonicContact OD2-CD2 3.25Å; D374-H1073 IonicContact OD2-CE1 2.64Å; D374-H1073 IonicContact OD2-NE2 2.67Å; D374-H1073 PolarHBondContact OD2-NE2 2.96Å | ||
| 375 | S | 92.6 | Very high | 90.1 | Very high | 102 Ų | 102 | 64 Ų | 64 | 71% | 0.713 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -64.3 | -18.9 | 178.3 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | Q373 L377 | Q373-S375 PolarHBondContact O-N 2.99Å; S375-L377 PolarHBondContact O-N 3.08Å |
| 376 | K | 93.2 | Very high | 90.1 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -82.5 | 0.2 | 171.4 | -58.8 | 174.7 | -175.8 | 179.4 | 0 | 112.9 | D374 Y1065 D1143 | D374-K376 PolarHBondContact O-N 2.85Å; D374-K376 WeakPolarHBondContact OD1-CB 3.23Å; D374-K376 PolarHBondContact OD1-N 2.96Å; K376-Y1065 WeakPolarHBondContact O-CD1 3.25Å; K376-Y1065 VanDerWaalsContact O-CE1 3.31Å; K376-Y1065 WeakPolarHBondContact O-CE1 3.21Å; K376-D1143 IonicContact NZ-OD1 3.43Å; K376-D1143 IonicContact NZ-OD2 3.17Å; K376-D1143 PolarHBondContact NZ-OD2 3.49Å |
| 377 | L | 93.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -111.4 | 18.6 | 170.6 | -63.5 | -175.8 | 0 | 0 | 0 | 112.3 | I371 D374 S375 K385 V386 Y1065 R1068 | I371-L377 HydrophobicContact CG2-CD1 4.01Å; D374-L377 HydrophobicContact CB-CB 4.22Å; D374-L377 HydrophobicContact CB-CD1 4.07Å; D374-L377 HydrophobicContact CB-CG 4.01Å; D374-L377 WeakPolarHBondContact O-CA 3.49Å; D374-L377 WeakPolarHBondContact O-CB 3.31Å; D374-L377 PolarHBondContact O-N 3.18Å; S375-L377 PolarHBondContact O-N 3.08Å; L377-K385 WeakPolarHBondContact O-CA 3.34Å; L377-V386 HydrophobicContact CB-CB 4.05Å; L377-V386 HydrophobicContact CB-CG2 3.78Å; L377-V386 HydrophobicContact CD1-CB 4.26Å; L377-V386 HydrophobicContact CD1-CG2 4.27Å; L377-V386 HydrophobicContact CD2-CG2 4.23Å; L377-V386 HydrophobicContact CG-CG2 4.32Å; L377-V386 PolarHBondContact O-N 3.46Å; L377-Y1065 HydrophobicContact CD2-CD1 4.01Å; L377-R1068 HydrophobicContact CD2-CB 3.97Å; L377-R1068 HydrophobicContact CD2-CG 3.95Å |
| 378 | Y | 91.8 | Very high | 89.4 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.5 | 170 | 178.9 | -112.2 | 0 | 0 | 0 | 110.5 | K380 S384 K385 Y1065 | Y378-K380 HydrophobicContact CE1-CG 4.32Å; Y378-S384 VanDerWaalsContact CD2-O 3.31Å; Y378-S384 WeakPolarHBondContact CD2-O 2.98Å; Y378-K385 HydrophobicContact CD2-CB 4.11Å; Y378-Y1065 PolarHBondContact O-OH 3.41Å |
| 379 | D | 89 | Confident | 88.8 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.8 | 174.6 | -176.5 | 92.4 | 0 | 0 | 0 | 109.9 | E381 T382 G383 S384 P1061 R1062 K1064 Y1065 | D379-E381 PolarHBondContact OD2-N 3.46Å; D379-T382 WeakPolarHBondContact CB-OG1 3.45Å; D379-T382 PolarHBondContact OD2-N 2.63Å; D379-T382 PolarHBondContact OD2-OG1 2.74Å; D379-G383 PolarHBondContact O-N 2.8Å; D379-G383 VanDerWaalsContact O-N 3.16Å; D379-S384 PolarHBondContact N-O 2.87Å; D379-S384 PolarHBondContact O-N 3.08Å; D379-P1061 HydrophobicContact CB-CB 3.81Å; D379-P1061 HydrophobicContact CB-CG 3.49Å; D379-P1061 VanDerWaalsContact CB-CG 3.49Å; D379-R1062 IonicContact OD1-CZ 3.38Å; D379-R1062 IonicContact OD1-NH1 3.15Å; D379-R1062 PolarHBondContact OD1-NH1 3.46Å; D379-R1062 IonicContact OD2-NH1 2.62Å; D379-K1064 IonicContact OD1-NZ 2.79Å; D379-K1064 PolarHBondContact OD1-NZ 3.45Å; D379-K1064 VanDerWaalsContact OD1-NZ 3.08Å; D379-Y1065 VanDerWaalsContact CA-OH 3.3Å; D379-Y1065 WeakPolarHBondContact CA-OH 3.32Å; D379-Y1065 HydrophobicContact CB-CE2 3.81Å; D379-Y1065 VanDerWaalsContact CB-OH 3.31Å; D379-Y1065 WeakPolarHBondContact CB-OH 3.27Å; D379-Y1065 PolarHBondContact OD1-OH 3.04Å |
| 380 | K | 86.2 | Confident | 88.3 | Confident | 190 Ų | 190 | 58.9 Ų | 58.9 | 83% | 0.826 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -34.7 | -173.1 | -66.6 | -179.3 | -179.4 | 176.1 | 0 | 113 | Y378 | Y378-K380 HydrophobicContact CE1-CG 4.32Š|
| 381 | E | 81.1 | Confident | 87.8 | Confident | 144 Ų | 144 | 56.7 Ų | 56.7 | 67% | 0.673 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -40.4 | -173.8 | -67.9 | 157.4 | -106.8 | 0 | 0 | 111.8 | D379 R1062 | D379-E381 PolarHBondContact OD2-N 3.46Å; E381-R1062 IonicContact OE1-CZ 2.82Å; E381-R1062 IonicContact OE1-NH1 2.66Å; E381-R1062 PolarHBondContact OE1-NH1 3.25Å; E381-R1062 IonicContact OE1-NH2 2.74Å; E381-R1062 IonicContact OE2-CZ 2.63Å; E381-R1062 IonicContact OE2-NH1 3.69Å; E381-R1062 PolarHBondContact OE2-NH1 2.94Å; E381-R1062 IonicContact OE2-NH2 3.16Å; E381-R1062 PolarHBondContact OE2-NH2 3.3Å |
| 382 | T | 78.8 | Confident | 87.2 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 36% | 0.362 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.2 | 177.4 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | D379 S384 P1061 | D379-T382 WeakPolarHBondContact CB-OG1 3.45Å; D379-T382 PolarHBondContact OD2-N 2.63Å; D379-T382 PolarHBondContact OD2-OG1 2.74Å; T382-S384 PolarHBondContact O-N 2.7Å; T382-S384 VanDerWaalsContact O-N 3.09Å; T382-S384 PolarHBondContact O-OG 3.47Å; T382-P1061 HydrophobicContact CG2-CB 4.47Å; T382-P1061 VanDerWaalsContact OG1-CB 3.32Å; T382-P1061 WeakPolarHBondContact OG1-CB 3.47Å |
| 383 | G | 82.5 | Confident | 87.1 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 50% | 0.495 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 19.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | D379 | D379-G383 PolarHBondContact O-N 2.8Å; D379-G383 VanDerWaalsContact O-N 3.16Å |
| 384 | S | 82.7 | Confident | 87.2 | Confident | 42 Ų | 42 | 51 Ų | 51 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.4 | -163.1 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | Y378 D379 T382 | Y378-S384 VanDerWaalsContact CD2-O 3.31Å; Y378-S384 WeakPolarHBondContact CD2-O 2.98Å; D379-S384 PolarHBondContact N-O 2.87Å; D379-S384 PolarHBondContact O-N 3.08Å; T382-S384 PolarHBondContact O-N 2.7Å; T382-S384 VanDerWaalsContact O-N 3.09Å; T382-S384 PolarHBondContact O-OG 3.47Å |
| 385 | K | 89.5 | Confident | 87.1 | Confident | 97 Ų | 97 | 49.9 Ų | 49.9 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 164.5 | 177.9 | 65.5 | 177.2 | -178.4 | 175.4 | 0 | 112 | G372 L377 Y378 E387 | G372-K385 PolarHBondContact O-NZ 2.77Å; L377-K385 WeakPolarHBondContact O-CA 3.34Å; Y378-K385 HydrophobicContact CD2-CB 4.11Å; K385-E387 PolarHBondContact O-N 2.89Å |
| 386 | V | 90.1 | Very high | 87 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | trans | -62 | 125.5 | 169 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | I371 L377 S1059 M1060 L1069 | I371-V386 HydrophobicContact CG2-CG1 4.14Å; L377-V386 HydrophobicContact CB-CB 4.05Å; L377-V386 HydrophobicContact CB-CG2 3.78Å; L377-V386 HydrophobicContact CD1-CB 4.26Å; L377-V386 HydrophobicContact CD1-CG2 4.27Å; L377-V386 HydrophobicContact CD2-CG2 4.23Å; L377-V386 HydrophobicContact CG-CG2 4.32Å; L377-V386 PolarHBondContact O-N 3.46Å; V386-S1059 CarbonylContact C-O 3.54Å; V386-S1059 VanDerWaalsContact CA-O 3.24Å; V386-S1059 WeakPolarHBondContact CA-O 3.4Å; V386-M1060 HydrophobicContact CG2-CB 3.79Å; V386-L1069 HydrophobicContact CG1-CD1 4.4Å | ||
| 387 | E | 87.4 | Confident | 87.1 | Confident | 73 Ų | 73 | 39.9 Ų | 39.9 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.6 | 172 | -59.5 | -160.4 | 120.1 | 0 | 0 | 111.2 | K385 R389 F1058 S1059 | K385-E387 PolarHBondContact O-N 2.89Å; E387-R389 IonicContact OE2-CZ 2.81Å; E387-R389 IonicContact OE2-NH1 2.72Å; E387-R389 PolarHBondContact OE2-NH1 2.93Å; E387-R389 IonicContact OE2-NH2 2.81Å; E387-R389 PolarHBondContact OE2-NH2 3.33Å; E387-F1058 CarbonylContact O-C 3.45Å; E387-F1058 VanDerWaalsContact O-CA 3.31Å; E387-F1058 WeakPolarHBondContact O-CA 3.42Å; E387-S1059 PolarHBondContact N-O 2.97Å; E387-S1059 PolarHBondContact O-N 3.22Å |
| 388 | C | 86.8 | Confident | 87 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.1 | 165.9 | -52.2 | 0 | 0 | 0 | 0 | 109.1 | R91 V368 F1058 | R91-C388 PolarHBondContact NH1-O 2.85Å; R91-C388 PolarHBondContact NH2-O 2.69Å; V368-C388 HydrophobicContact CB-CB 4.44Å; V368-C388 HydrophobicContact CG1-CB 3.56Å; V368-C388 HydrophobicContact CG2-CB 4.16Å; C388-F1058 HydrophobicContact CB-CD1 4.05Å; C388-F1058 HydrophobicContact CB-CE1 4.05Å; C388-F1058 VanDerWaalsContact SG-CE1 3.56Å |
| 389 | R | 80.3 | Confident | 87 | Confident | 28 Ų | 28 | 34.5 Ų | 34.5 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | trans | -92.5 | -50.7 | 171.9 | -67.7 | -162.6 | 152.1 | 56.7 | 29.9 | 111.4 | M95 E387 V1053 D1057 S1059 | M95-R389 PolarHBondContact SD-NE 2.92Å; M95-R389 VanDerWaalsContact SD-NE 3.38Å; M95-R389 PolarHBondContact SD-NH2 3.41Å; E387-R389 IonicContact OE2-CZ 2.81Å; E387-R389 IonicContact OE2-NH1 2.72Å; E387-R389 PolarHBondContact OE2-NH1 2.93Å; E387-R389 IonicContact OE2-NH2 2.81Å; E387-R389 PolarHBondContact OE2-NH2 3.33Å; R389-V1053 VanDerWaalsContact CD-O 3.31Å; R389-V1053 WeakPolarHBondContact CD-O 3.43Å; R389-V1053 PolarHBondContact NE-O 3.11Å; R389-V1053 PolarHBondContact NH1-O 3.39Å; R389-D1057 WeakPolarHBondContact CA-O 3.33Å; R389-D1057 WeakPolarHBondContact CB-O 3.2Å; R389-D1057 PolarHBondContact N-O 3.5Å; R389-S1059 PolarHBondContact NH1-OG 3.23Å | ||
| 390 | T | 82.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | trans | -86.4 | 122.8 | -179.8 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | N392 I393 D1057 | T390-N392 VanDerWaalsContact C-N 3.32Å; T390-N392 HydrophobicContact CG2-CB 4.15Å; T390-N392 PolarHBondContact O-N 2.72Å; T390-I393 HydrophobicContact CG2-CD1 4.25Å; T390-I393 HydrophobicContact CG2-CG1 4.07Å; T390-D1057 VanDerWaalsContact CB-OD1 3.29Å; T390-D1057 WeakPolarHBondContact CB-OD1 3.25Å; T390-D1057 PolarHBondContact N-O 3.39Å; T390-D1057 VanDerWaalsContact N-O 3.15Å; T390-D1057 PolarHBondContact OG1-OD1 2.87Å | ||
| 391 | L | 83.4 | Confident | 87.4 | Confident | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -89.4 | 8.2 | -175.5 | -59.5 | -178.2 | 0 | 0 | 0 | 114.2 | K84 Y87 E88 V368 | K84-L391 HydrophobicContact CG-CD1 4.44Å; K84-L391 PolarHBondContact NZ-O 2.93Å; Y87-L391 HydrophobicContact CD1-CD1 4.22Å; E88-L391 HydrophobicContact CB-CD1 4.49Å; E88-L391 PolarHBondContact OE2-N 3.5Å; V368-L391 HydrophobicContact CB-CD2 4.42Å; V368-L391 HydrophobicContact CG1-CD2 3.79Å; V368-L391 HydrophobicContact CG2-CD2 4.39Å |
| 392 | N | 83.2 | Confident | 88 | Confident | 13 Ų | 13 | 20.7 Ų | 20.7 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -110.9 | -15.3 | -163.7 | -66.8 | 4.8 | 0 | 0 | 0 | 114.5 | K84 K364 T390 | K84-N392 PolarHBondContact NZ-OD1 3.37Å; K364-N392 PolarHBondContact NZ-O 2.96Å; T390-N392 VanDerWaalsContact C-N 3.32Å; T390-N392 HydrophobicContact CG2-CB 4.15Å; T390-N392 PolarHBondContact O-N 2.72Å |
| 393 | I | 89.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -127.3 | 24.5 | -168.8 | 66 | 179 | 0 | 0 | 0 | 116.9 | K277 T390 E395 E396 V1040 D1057 F1058 | K277-I393 HydrophobicContact CB-CG2 4.17Å; K277-I393 HydrophobicContact CD-CD1 4.15Å; T390-I393 HydrophobicContact CG2-CD1 4.25Å; T390-I393 HydrophobicContact CG2-CG1 4.07Å; I393-E395 PolarHBondContact O-N 2.88Å; I393-E395 VanDerWaalsContact O-N 3.14Å; I393-E396 HydrophobicContact CB-CB 4.37Å; I393-E396 HydrophobicContact CB-CG 4.13Å; I393-E396 PolarHBondContact O-N 3.25Å; I393-V1040 HydrophobicContact CD1-CG2 4.26Å; I393-D1057 HydrophobicContact CD1-CB 3.98Å; I393-F1058 HydrophobicContact CD1-CE2 4.43Å; I393-F1058 HydrophobicContact CG1-CE2 4.24Å; I393-F1058 HydrophobicContact CG1-CZ 4.47Å | ||
| 394 | P | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.9 | -179.7 | 29.8 | -36.2 | 0 | 0 | 0 | 112.9 | K364 V368 E396 L397 C1077 | K364-P394 HydrophobicContact CB-CG 4.02Å; K364-P394 HydrophobicContact CD-CG 4.43Å; K364-P394 HydrophobicContact CG-CG 3.82Å; V368-P394 HydrophobicContact CG2-CB 4.3Å; V368-P394 HydrophobicContact CG2-CG 4.42Å; P394-E396 VanDerWaalsContact C-N 3.35Å; P394-L397 WeakPolarHBondContact O-CB 3.43Å; P394-C1077 HydrophobicContact CB-CB 4.4Å; P394-C1077 WeakPolarHBondContact O-CB 3.41Å |
| 395 | E | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.3 | 175 | 74.9 | -89.3 | -145.9 | 0 | 0 | 114.1 | S279 L281 K364 I393 L397 G398 L1081 | S279-E395 WeakPolarHBondContact CB-OE1 3.38Å; S279-E395 PolarHBondContact OG-OE1 2.93Å; L281-E395 HydrophobicContact CB-CG 4.17Å; L281-E395 HydrophobicContact CD2-CB 4.49Å; L281-E395 HydrophobicContact CD2-CG 4.11Å; K364-E395 VanDerWaalsContact CE-OE1 3.3Å; K364-E395 WeakPolarHBondContact CE-OE1 3.46Å; K364-E395 WeakPolarHBondContact CE-OE2 3.39Å; K364-E395 VanDerWaalsContact NZ-CD 3.26Å; K364-E395 IonicContact NZ-OE1 3.46Å; K364-E395 PolarHBondContact NZ-OE1 2.89Å; K364-E395 IonicContact NZ-OE2 3.5Å; K364-E395 PolarHBondContact NZ-OE2 3.46Å; K364-E395 VanDerWaalsContact NZ-OE2 3.08Å; I393-E395 PolarHBondContact O-N 2.88Å; I393-E395 VanDerWaalsContact O-N 3.14Å; E395-L397 VanDerWaalsContact C-N 3.27Å; E395-L397 PolarHBondContact O-N 3.25Å; E395-G398 PolarHBondContact O-N 3.09Å; E395-G398 VanDerWaalsContact O-N 3.07Å; E395-L1081 HydrophobicContact CB-CD2 3.82Å; E395-L1081 HydrophobicContact CG-CD2 3.87Å |
| 396 | E | 92.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 1% | 0.014 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -72.8 | -24.8 | -179.4 | -61.6 | -151.1 | 115.8 | 0 | 0 | 111.7 | S279 K280 I393 P394 G398 Q399 V400 L1021 V1040 | S279-E396 WeakPolarHBondContact CA-OE1 3.41Å; K280-E396 PolarHBondContact N-OE1 2.9Å; I393-E396 HydrophobicContact CB-CB 4.37Å; I393-E396 HydrophobicContact CB-CG 4.13Å; I393-E396 PolarHBondContact O-N 3.25Å; P394-E396 VanDerWaalsContact C-N 3.35Å; E396-G398 PolarHBondContact O-N 3.34Å; E396-G398 VanDerWaalsContact O-N 3.13Å; E396-Q399 PolarHBondContact O-N 2.98Å; E396-V400 PolarHBondContact O-N 3.03Å; E396-L1021 HydrophobicContact CB-CD1 4.08Å; E396-L1021 HydrophobicContact CB-CD2 4.4Å; E396-L1021 HydrophobicContact CG-CD1 4.23Å; E396-L1021 WeakPolarHBondContact OE1-CD1 3.47Å; E396-V1040 HydrophobicContact CB-CG2 4.03Å |
| 397 | L | 94 | Very high | 90 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -58.5 | -18.9 | 167.6 | -64.1 | 177.2 | 0 | 0 | 0 | 113 | P394 E395 L1023 V1040 F1058 L1069 L1070 G1074 Y1153 | P394-L397 WeakPolarHBondContact O-CB 3.43Å; E395-L397 VanDerWaalsContact C-N 3.27Å; E395-L397 PolarHBondContact O-N 3.25Å; L397-L1023 HydrophobicContact CD2-CD1 4.3Å; L397-V1040 HydrophobicContact CD2-CG1 3.98Å; L397-F1058 HydrophobicContact CD1-CD1 4.47Å; L397-F1058 HydrophobicContact CD1-CE1 3.77Å; L397-F1058 HydrophobicContact CD1-CE2 4.18Å; L397-F1058 HydrophobicContact CD1-CZ 3.61Å; L397-F1058 HydrophobicContact CD2-CD2 4.29Å; L397-F1058 HydrophobicContact CD2-CE2 3.91Å; L397-F1058 HydrophobicContact CD2-CZ 4.2Å; L397-F1058 HydrophobicContact CG-CE2 4.11Å; L397-F1058 HydrophobicContact CG-CZ 3.94Å; L397-L1069 HydrophobicContact CD1-CD1 3.84Å; L397-L1069 HydrophobicContact CD1-CG 4.08Å; L397-L1069 HydrophobicContact CD2-CG 4.45Å; L397-L1070 HydrophobicContact CB-CD2 4.06Å; L397-L1070 HydrophobicContact CD2-CD2 3.77Å; L397-L1070 WeakPolarHBondContact O-CD2 3.4Å; L397-G1074 VanDerWaalsContact C-CA 3.41Å; L397-G1074 WeakPolarHBondContact O-CA 3.43Å; L397-Y1153 WeakPolarHBondContact O-CE2 3.29Å; L397-Y1153 PolarHBondContact O-OH 3.48Å |
| 398 | G | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -91.8 | 1.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | E395 E396 G1074 G1156 | E395-G398 PolarHBondContact O-N 3.09Å; E395-G398 VanDerWaalsContact O-N 3.07Å; E396-G398 PolarHBondContact O-N 3.34Å; E396-G398 VanDerWaalsContact O-N 3.13Å; G398-G1074 WeakPolarHBondContact CA-O 3.4Å; G398-G1074 PolarHBondContact N-O 2.86Å; G398-G1156 CarbonylContact O-C 3.55Å; G398-G1156 WeakPolarHBondContact O-CA 3.14Å |
| 399 | Q | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -133.2 | 13.7 | -171.8 | -55.2 | -150.4 | -81 | 0 | 0 | 113.7 | E396 E401 L1021 Y1078 Y1153 G1156 N1159 | E396-Q399 PolarHBondContact O-N 2.98Å; Q399-E401 PolarHBondContact O-N 3.5Å; Q399-L1021 HydrophobicContact CB-CD1 4.13Å; Q399-L1021 WeakPolarHBondContact O-CB 3.42Å; Q399-Y1078 VanDerWaalsContact CD-CD2 3.5Å; Q399-Y1078 HydrophobicContact CG-CD2 3.57Å; Q399-Y1078 HydrophobicContact CG-CE2 3.89Å; Q399-Y1078 HydrophobicContact CG-CG 3.97Å; Q399-Y1153 PolarHBondContact N-OH 2.94Å; Q399-G1156 PolarHBondContact NE2-O 3.28Å; Q399-N1159 PolarHBondContact NE2-ND2 2.76Å; Q399-N1159 VanDerWaalsContact NE2-ND2 3.12Å; Q399-N1159 PolarHBondContact NE2-OD1 2.88Å |
| 400 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -65.1 | 124.4 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | E396 I403 I882 L1021 L1023 L1070 Y1153 R1157 | E396-V400 PolarHBondContact O-N 3.03Å; V400-I403 HydrophobicContact CG1-CG1 3.82Å; V400-I882 HydrophobicContact CG1-CG2 4.32Å; V400-L1021 HydrophobicContact CB-CD2 4.42Å; V400-L1021 HydrophobicContact CG2-CD2 3.99Å; V400-L1023 HydrophobicContact CB-CB 4.49Å; V400-L1023 HydrophobicContact CG1-CB 3.56Å; V400-L1023 HydrophobicContact CG1-CD1 4.5Å; V400-L1023 HydrophobicContact CG2-CB 4.04Å; V400-L1023 HydrophobicContact CG2-CD1 3.89Å; V400-L1070 HydrophobicContact CG2-CD2 3.84Å; V400-Y1153 WeakPolarHBondContact CB-OH 3.31Å; V400-Y1153 PolarHBondContact N-OH 3.44Å; V400-R1157 WeakPolarHBondContact O-CD 3.47Å | ||
| 401 | E | 90.6 | Very high | 90.2 | Very high | 33 Ų | 33 | 5.5 Ų | 5.5 | 15% | 0.154 | 3% | 0.031 | C | C | . | . | trans | -104.5 | -34.1 | -179.5 | -72 | 164 | -128.5 | 0 | 0 | 112.1 | K280 Q399 N883 S1020 L1021 R1157 | K280-E401 IonicContact NZ-OE1 2.7Å; K280-E401 PolarHBondContact NZ-OE1 3.48Å; Q399-E401 PolarHBondContact O-N 3.5Å; E401-N883 PolarHBondContact O-N 2.94Å; E401-S1020 WeakPolarHBondContact OE2-CA 3.33Å; E401-S1020 VanDerWaalsContact OE2-CB 3.24Å; E401-S1020 WeakPolarHBondContact OE2-CB 3.41Å; E401-S1020 PolarHBondContact OE2-OG 2.96Å; E401-L1021 PolarHBondContact N-O 2.83Å; E401-R1157 HydrophobicContact CG-CB 4.4Å | ||
| 402 | H | 93.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 5.1 Ų | 5.1 | 5% | 0.051 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.4 | 176.3 | -70.7 | 67 | 0 | 0 | 0 | 110.6 | L404 N883 W885 V1014 S1020 L1021 L1023 | H402-L404 HydrophobicContact CB-CD1 4.31Å; H402-N883 CarbonylContact C-O 3.47Å; H402-N883 WeakPolarHBondContact CA-O 3.31Å; H402-N883 PolarHBondContact CE1-ND2 3.38Å; H402-N883 VanDerWaalsContact CE1-ND2 3.34Å; H402-N883 PolarHBondContact NE2-ND2 3.43Å; H402-W885 AromaticContact CD2-CE2 3.7Å; H402-W885 AromaticContact CD2-CZ2 3.76Å; H402-W885 AromaticContact CD2-NE1 3.61Å; H402-W885 AromaticContact NE2-CZ2 3.94Å; H402-V1014 HydrophobicContact CB-CG1 3.96Å; H402-S1020 PolarHBondContact CE1-OG 3.31Å; H402-S1020 VanDerWaalsContact ND1-CB 3.25Å; H402-S1020 WeakPolarHBondContact ND1-CB 3.14Å; H402-S1020 PolarHBondContact ND1-OG 3.33Å; H402-L1021 PolarHBondContact N-O 3.14Å; H402-L1023 PolarHBondContact O-N 3.09Å |
| 403 | I | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.4 | 169.1 | -66.9 | 168.4 | 0 | 0 | 0 | 108.2 | V400 L877 I882 N883 I884 W885 L1023 V1025 L1066 L1070 | V400-I403 HydrophobicContact CG1-CG1 3.82Å; I403-L877 HydrophobicContact CD1-CD1 3.89Å; I403-L877 HydrophobicContact CD1-CD2 4.22Å; I403-L877 HydrophobicContact CD1-CG 4.45Å; I403-I882 HydrophobicContact CB-CG2 4.44Å; I403-I882 HydrophobicContact CD1-CD1 4.45Å; I403-I882 HydrophobicContact CD1-CG2 3.73Å; I403-I882 HydrophobicContact CG1-CG2 3.73Å; I403-N883 PolarHBondContact N-O 2.99Å; I403-I884 WeakPolarHBondContact O-CA 3.48Å; I403-W885 PolarHBondContact O-N 3Å; I403-L1023 CarbonylContact C-O 3.56Å; I403-L1023 WeakPolarHBondContact CA-O 3.4Å; I403-L1023 HydrophobicContact CG1-CB 4.32Å; I403-L1023 HydrophobicContact CG1-CD2 4.26Å; I403-L1023 HydrophobicContact CG2-CD2 4.21Å; I403-V1025 HydrophobicContact CG2-CG2 4.15Å; I403-L1066 HydrophobicContact CD1-CD2 4.23Å; I403-L1066 HydrophobicContact CG2-CD2 4.46Å; I403-L1070 HydrophobicContact CD1-CD1 3.8Å |
| 404 | L | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.5 | 176.3 | -58.5 | 100.3 | 0 | 0 | 0 | 109.1 | H402 W885 L887 V1010 V1011 V1014 T1022 L1023 A1024 V1025 | H402-L404 HydrophobicContact CB-CD1 4.31Å; L404-W885 CarbonylContact C-O 3.56Å; L404-W885 WeakPolarHBondContact CA-O 3.38Å; L404-W885 HydrophobicContact CD2-CB 4.34Å; L404-W885 HydrophobicContact CD2-CD2 4.42Å; L404-W885 HydrophobicContact CD2-CE3 3.94Å; L404-W885 HydrophobicContact CG-CB 4.28Å; L404-L887 HydrophobicContact CB-CD1 4.33Å; L404-L887 HydrophobicContact CD2-CD1 3.98Å; L404-V1010 HydrophobicContact CD2-CG1 3.74Å; L404-V1011 HydrophobicContact CB-CG2 4.19Å; L404-V1011 HydrophobicContact CD1-CG2 4.23Å; L404-V1011 HydrophobicContact CD2-CG2 3.94Å; L404-V1011 HydrophobicContact CG-CG2 4.33Å; L404-V1014 HydrophobicContact CD2-CG2 4.37Å; L404-T1022 HydrophobicContact CD1-CG2 4.07Å; L404-L1023 PolarHBondContact N-O 2.9Å; L404-A1024 CarbonylContact O-C 3.55Å; L404-A1024 WeakPolarHBondContact O-CA 3.46Å; L404-V1025 PolarHBondContact O-N 2.99Å |
| 405 | S | 95.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.007 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 145.3 | -172.6 | -169.3 | 0 | 0 | 0 | 0 | 111 | T410 W885 V886 L887 V1025 | S405-T410 VanDerWaalsContact OG-CG2 3.29Å; S405-T410 WeakPolarHBondContact OG-CG2 3.44Å; S405-W885 PolarHBondContact N-O 2.93Å; S405-V886 CarbonylContact O-C 3.51Å; S405-V886 VanDerWaalsContact O-CA 3.31Å; S405-V886 WeakPolarHBondContact O-CA 3.32Å; S405-L887 PolarHBondContact O-N 2.99Å; S405-V1025 WeakPolarHBondContact CA-O 3.43Å |
| 406 | D | 90.9 | Very high | 88.3 | Confident | 7 Ų | 7 | 9.3 Ų | 9.3 | 4% | 0.037 | 5% | 0.049 | C | C | . | . | trans | -71.8 | 169.9 | 154.6 | -162.4 | 80.1 | 0 | 0 | 0 | 110.3 | T408 L411 K1007 V1025 | D406-T408 PolarHBondContact OD2-N 3.23Å; D406-L411 WeakPolarHBondContact O-CG 3.27Å; D406-K1007 WeakPolarHBondContact OD1-CE 3.44Å; D406-K1007 IonicContact OD1-NZ 2.65Å; D406-K1007 PolarHBondContact OD1-NZ 3.13Å; D406-V1025 PolarHBondContact N-O 3.04Å; D406-V1025 VanDerWaalsContact N-O 3.11Å | ||
| 407 | K | 88.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -98.6 | -51.7 | 176.8 | -174.7 | -126.9 | 68.3 | 167.6 | 0 | 111.8 | L411 T412 D864 V886 T888 D890 I898 | K407-L411 WeakPolarHBondContact O-CA 3.34Å; K407-L411 WeakPolarHBondContact O-CB 3.39Å; K407-L411 PolarHBondContact O-N 3.01Å; K407-T412 PolarHBondContact O-N 3.45Å; K407-T412 PolarHBondContact O-OG1 3.28Å; K407-D864 IonicContact NZ-OD2 2.65Å; K407-D864 PolarHBondContact NZ-OD2 3.49Å; K407-V886 HydrophobicContact CB-CG1 3.94Å; K407-T888 HydrophobicContact CB-CG2 4.37Å; K407-D890 IonicContact NZ-OD2 2.72Å; K407-D890 PolarHBondContact NZ-OD2 3.02Å; K407-I898 HydrophobicContact CD-CB 4.29Å; K407-I898 HydrophobicContact CD-CG1 4.2Å; K407-I898 HydrophobicContact CD-CG2 4.14Å; K407-I898 HydrophobicContact CG-CB 4.26Å; K407-I898 HydrophobicContact CG-CG2 3.63Å |
| 408 | T | 80.6 | Confident | 87.7 | Confident | 26 Ų | 26 | 10.4 Ų | 10.4 | 16% | 0.16 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 132.6 | -171.3 | -40.3 | 0 | 0 | 0 | 0 | 109 | G161 D406 T410 N414 | G161-T408 WeakPolarHBondContact O-CG2 3.27Å; D406-T408 PolarHBondContact OD2-N 3.23Å; T408-T410 PolarHBondContact O-N 3.25Å; T408-N414 WeakPolarHBondContact CG2-OD1 3.33Å |
| 409 | G | 79.2 | Confident | 87.4 | Confident | 9 Ų | 9 | 11 Ų | 11 | 9% | 0.093 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -26.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T412 N414 Q867 D1027 | G409-T412 CarbonylContact C-O 3.55Å; G409-T412 VanDerWaalsContact C-O 3.28Å; G409-T412 WeakPolarHBondContact CA-O 3.38Å; G409-T412 PolarHBondContact N-OG1 3.2Å; G409-N414 WeakPolarHBondContact CA-ND2 3.23Å; G409-N414 PolarHBondContact N-ND2 3.18Å; G409-N414 PolarHBondContact N-OD1 3.38Å; G409-Q867 PolarHBondContact O-NE2 3.44Å; G409-D1027 WeakPolarHBondContact CA-OD2 3.33Å |
| 410 | T | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -43.9 | -177.2 | -72.7 | 0 | 0 | 0 | 0 | 113.6 | S405 T408 Q867 V1025 G1026 D1027 I1044 F1063 | S405-T410 VanDerWaalsContact OG-CG2 3.29Å; S405-T410 WeakPolarHBondContact OG-CG2 3.44Å; T408-T410 PolarHBondContact O-N 3.25Å; T410-Q867 PolarHBondContact O-NE2 3.22Å; T410-V1025 HydrophobicContact CG2-CB 4.21Å; T410-V1025 HydrophobicContact CG2-CG1 3.78Å; T410-G1026 VanDerWaalsContact OG1-CA 3.29Å; T410-G1026 WeakPolarHBondContact OG1-CA 3.38Å; T410-D1027 PolarHBondContact OG1-N 3.13Å; T410-D1027 PolarHBondContact OG1-OD1 2.87Å; T410-I1044 HydrophobicContact CG2-CD1 4.02Å; T410-F1063 HydrophobicContact CG2-CD2 4.27Å |
| 411 | L | 91 | Very high | 87.4 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -29.3 | 171.4 | -64.8 | 178 | 0 | 0 | 0 | 112 | D406 K407 L866 Q867 V870 I874 V886 F1063 | D406-L411 WeakPolarHBondContact O-CG 3.27Å; K407-L411 WeakPolarHBondContact O-CA 3.34Å; K407-L411 WeakPolarHBondContact O-CB 3.39Å; K407-L411 PolarHBondContact O-N 3.01Å; L411-L866 WeakPolarHBondContact O-CA 3.48Å; L411-Q867 PolarHBondContact O-N 2.94Å; L411-V870 HydrophobicContact CD2-CG1 3.97Å; L411-V870 HydrophobicContact CD2-CG2 4.41Å; L411-I874 HydrophobicContact CD1-CD1 4.48Å; L411-I874 HydrophobicContact CD2-CD1 4.07Å; L411-V886 HydrophobicContact CD1-CG1 4.47Å; L411-V886 HydrophobicContact CD1-CG2 3.7Å; L411-F1063 HydrophobicContact CD2-CD1 4.03Å; L411-F1063 HydrophobicContact CD2-CD2 3.64Å; L411-F1063 HydrophobicContact CD2-CE1 3.96Å; L411-F1063 HydrophobicContact CD2-CE2 3.57Å; L411-F1063 HydrophobicContact CD2-CG 3.88Å; L411-F1063 HydrophobicContact CD2-CZ 3.74Å |
| 412 | T | 87 | Confident | 87.5 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 160.5 | 172.8 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | K407 G409 N414 D864 R865 L866 Q867 I898 | K407-T412 PolarHBondContact O-N 3.45Å; K407-T412 PolarHBondContact O-OG1 3.28Å; G409-T412 CarbonylContact C-O 3.55Å; G409-T412 VanDerWaalsContact C-O 3.28Å; G409-T412 WeakPolarHBondContact CA-O 3.38Å; G409-T412 PolarHBondContact N-OG1 3.2Å; T412-N414 PolarHBondContact OG1-OD1 3.07Å; T412-D864 WeakPolarHBondContact CB-OD1 3.2Å; T412-D864 WeakPolarHBondContact CG2-OD1 3.48Å; T412-D864 PolarHBondContact OG1-OD1 2.82Å; T412-R865 CarbonylContact C-O 3.58Å; T412-R865 WeakPolarHBondContact CA-O 3.31Å; T412-R865 WeakPolarHBondContact CB-O 3.48Å; T412-L866 HydrophobicContact CG2-CD2 4.19Å; T412-Q867 WeakPolarHBondContact O-CG 3.49Å; T412-I898 HydrophobicContact CG2-CD1 4.17Å |
| 413 | E | 80.4 | Confident | 87.3 | Confident | 60 Ų | 60 | 11.9 Ų | 11.9 | 28% | 0.28 | 6% | 0.06 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 5.8 | 169.4 | -63.5 | -168.9 | 128.1 | 0 | 0 | 112.1 | L415 R865 Q867 P868 R1062 | E413-L415 HydrophobicContact CB-CB 4.03Å; E413-L415 PolarHBondContact O-N 2.8Å; E413-R865 PolarHBondContact N-O 3.19Å; E413-R865 IonicContact OE2-NE 2.94Å; E413-R865 PolarHBondContact OE2-NE 3.2Å; E413-Q867 HydrophobicContact CG-CB 4.23Å; E413-Q867 HydrophobicContact CG-CG 3.92Å; E413-P868 WeakPolarHBondContact OE1-CD 3.47Å; E413-R1062 IonicContact OE1-NE 3.98Å; E413-R1062 IonicContact OE1-NH2 3.88Å; E413-R1062 PolarHBondContact OE1-NH2 3.29Å |
| 414 | N | 74.1 | Confident | 86.7 | Confident | 15 Ų | 15 | 12.8 Ų | 12.8 | 8% | 0.08 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 21.3 | -166.7 | -66.7 | -17.9 | 0 | 0 | 0 | 114.4 | N163 T408 G409 T412 E1048 | N163-N414 WeakPolarHBondContact ND2-CB 3.43Å; T408-N414 WeakPolarHBondContact CG2-OD1 3.33Å; G409-N414 WeakPolarHBondContact CA-ND2 3.23Å; G409-N414 PolarHBondContact N-ND2 3.18Å; G409-N414 PolarHBondContact N-OD1 3.38Å; T412-N414 PolarHBondContact OG1-OD1 3.07Å; N414-E1048 PolarHBondContact ND2-OE1 3.47Å; N414-E1048 PolarHBondContact ND2-OE2 3.48Å; N414-E1048 VanDerWaalsContact ND2-OE2 3.14Å |
| 415 | L | 78.4 | Confident | 86.1 | Confident | 16 Ų | 16 | 12.9 Ų | 12.9 | 8% | 0.084 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 103.9 | -179.9 | 159.2 | 52.6 | 0 | 0 | 0 | 109 | E413 V417 G448 K450 R865 | E413-L415 HydrophobicContact CB-CB 4.03Å; E413-L415 PolarHBondContact O-N 2.8Å; L415-V417 HydrophobicContact CD1-CG2 3.67Å; L415-V417 HydrophobicContact CD2-CG2 4.47Å; L415-V417 HydrophobicContact CG-CG2 3.73Å; L415-G448 WeakPolarHBondContact CD1-O 3.35Å; L415-K450 HydrophobicContact CD2-CG 4.4Å; L415-R865 HydrophobicContact CB-CB 4.35Å; L415-R865 HydrophobicContact CG-CB 4.19Å; L415-R865 VanDerWaalsContact O-CB 3.32Å; L415-R865 WeakPolarHBondContact O-CB 3.36Å; L415-R865 PolarHBondContact O-N 3.38Å |
| 416 | M | 81.7 | Confident | 85.7 | Confident | 11 Ų | 11 | 15 Ų | 15 | 5% | 0.054 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.5 | 175.5 | -66.2 | -63.6 | 160.1 | 0 | 0 | 110.4 | P700 A704 V862 E863 D864 | M416-P700 HydrophobicContact CB-CB 4.21Å; M416-P700 HydrophobicContact CE-CG 4.5Å; M416-P700 HydrophobicContact CG-CB 3.66Å; M416-P700 HydrophobicContact CG-CG 3.85Å; M416-A704 HydrophobicContact CB-CB 3.98Å; M416-A704 WeakPolarHBondContact O-CB 3.29Å; M416-V862 HydrophobicContact CB-CG1 3.86Å; M416-V862 HydrophobicContact SD-CG1 4.35Å; M416-E863 CarbonylContact C-O 3.58Å; M416-E863 WeakPolarHBondContact CA-O 3.29Å; M416-D864 HydrophobicContact CE-CB 3.73Å; M416-D864 WeakPolarHBondContact CE-OD1 3.29Å; M416-D864 HydrophobicContact SD-CB 3.81Å |
| 417 | V | 84.7 | Confident | 85.7 | Confident | 23 Ų | 23 | 16.2 Ų | 16.2 | 14% | 0.139 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.5 | -175.3 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | L415 K419 V862 E863 R865 | L415-V417 HydrophobicContact CD1-CG2 3.67Å; L415-V417 HydrophobicContact CD2-CG2 4.47Å; L415-V417 HydrophobicContact CG-CG2 3.73Å; V417-K419 HydrophobicContact CG1-CD 4.46Å; V417-K419 PolarHBondContact O-N 3.04Å; V417-V862 CarbonylContact O-C 3.58Å; V417-V862 WeakPolarHBondContact O-CA 3.37Å; V417-E863 PolarHBondContact N-O 2.74Å; V417-E863 PolarHBondContact O-N 3.19Å; V417-R865 HydrophobicContact CG2-CB 4.31Å |
| 418 | F | 88.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 119.1 | 170.1 | -178.8 | -86.4 | 0 | 0 | 0 | 110.5 | C421 V452 M493 L705 A708 Y712 T860 | F418-C421 HydrophobicContact CE2-CB 4.41Å; F418-C421 HydrophobicContact CZ-CB 3.81Å; F418-V452 HydrophobicContact CB-CG2 4.36Å; F418-V452 HydrophobicContact CD1-CG1 4.29Å; F418-M493 HydrophobicContact CD2-CE 4.1Å; F418-M493 HydrophobicContact CE2-CE 3.6Å; F418-M493 HydrophobicContact CE2-SD 4.44Å; F418-M493 HydrophobicContact CZ-CE 4.27Å; F418-L705 HydrophobicContact CD2-CD2 4.22Å; F418-L705 HydrophobicContact CE2-CD2 4.44Å; F418-A708 HydrophobicContact CB-CB 3.69Å; F418-A708 HydrophobicContact CD1-CB 3.83Å; F418-A708 HydrophobicContact CD2-CB 3.6Å; F418-A708 HydrophobicContact CE1-CB 4.33Å; F418-A708 HydrophobicContact CE2-CB 4.1Å; F418-A708 HydrophobicContact CG-CB 3.43Å; F418-A708 VanDerWaalsContact CG-CB 3.43Å; F418-A708 HydrophobicContact CZ-CB 4.43Å; F418-Y712 HydrophobicContact CE1-CE2 4.16Å; F418-T860 HydrophobicContact CE2-CG2 3.75Å |
| 419 | K | 86.6 | Confident | 85.8 | Confident | 13 Ų | 13 | 18.6 Ų | 18.6 | 6% | 0.057 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -41.5 | -178 | -69.2 | -80 | 179.4 | 133.4 | 0 | 113.3 | V417 S430 E432 L807 A861 E863 | V417-K419 HydrophobicContact CG1-CD 4.46Å; V417-K419 PolarHBondContact O-N 3.04Å; K419-S430 WeakPolarHBondContact O-CB 3.49Å; K419-S430 PolarHBondContact O-N 3.11Å; K419-E432 IonicContact NZ-OE1 3.59Å; K419-E432 PolarHBondContact NZ-OE1 2.97Å; K419-E432 IonicContact NZ-OE2 2.88Å; K419-E432 PolarHBondContact NZ-OE2 3.21Å; K419-L807 HydrophobicContact CB-CD1 4.35Å; K419-L807 HydrophobicContact CB-CD2 4.28Å; K419-L807 HydrophobicContact CG-CD2 4.18Å; K419-A861 PolarHBondContact N-O 3.11Å; K419-E863 VanDerWaalsContact CE-OE1 3.24Å; K419-E863 WeakPolarHBondContact CE-OE1 3.29Å; K419-E863 WeakPolarHBondContact CE-OE2 3.31Å; K419-E863 HydrophobicContact CG-CB 3.79Å; K419-E863 IonicContact NZ-OE1 2.75Å; K419-E863 PolarHBondContact NZ-OE1 2.73Å; K419-E863 IonicContact NZ-OE2 3.08Å; K419-E863 PolarHBondContact NZ-OE2 3.25Å |
| 420 | R | 90.2 | Very high | 85.4 | Confident | 60 Ų | 60 | 18.6 Ų | 18.6 | 23% | 0.226 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.6 | -175.7 | -58.1 | -170.3 | 166.2 | 86.2 | 4.9 | 112.6 | Y428 V429 Y802 L807 A861 | R420-Y428 VanDerWaalsContact CA-O 3.27Å; R420-Y428 WeakPolarHBondContact CA-O 3.46Å; R420-Y428 WeakPolarHBondContact CB-O 3.46Å; R420-V429 HydrophobicContact CG-CB 4.45Å; R420-V429 HydrophobicContact CG-CG1 4.22Å; R420-V429 HydrophobicContact CG-CG2 4.27Å; R420-Y802 HydrophobicContact CB-CE1 3.88Å; R420-Y802 VanDerWaalsContact CD-CE1 3.46Å; R420-Y802 HydrophobicContact CG-CE1 4.29Å; R420-L807 HydrophobicContact CG-CD1 4.49Å; R420-A861 HydrophobicContact CB-CB 4.12Å; R420-A861 PolarHBondContact N-O 3.31Å; R420-A861 PolarHBondContact O-N 3.16Å |
| 421 | C | 92.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.3 | 161.3 | 53.8 | 0 | 0 | 0 | 0 | 111 | F418 V423 Y428 F489 Y802 T859 T860 | F418-C421 HydrophobicContact CE2-CB 4.41Å; F418-C421 HydrophobicContact CZ-CB 3.81Å; C421-V423 HydrophobicContact CB-CG2 4.45Å; C421-Y428 PolarHBondContact N-O 3.36Å; C421-Y428 VanDerWaalsContact N-O 3.1Å; C421-Y428 PolarHBondContact O-N 3.48Å; C421-F489 HydrophobicContact CB-CE1 3.9Å; C421-F489 HydrophobicContact CB-CZ 3.66Å; C421-Y802 VanDerWaalsContact C-OH 3.28Å; C421-Y802 PolarHBondContact O-OH 2.91Å; C421-T859 CarbonylContact C-O 3.55Å; C421-T859 VanDerWaalsContact CA-O 3.23Å; C421-T859 WeakPolarHBondContact CA-O 3.3Å; C421-T859 WeakPolarHBondContact CB-O 3.21Å; C421-T860 HydrophobicContact CB-CG2 4.38Å |
| 422 | T | 92.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.3 | 160.9 | -45.5 | 0 | 0 | 0 | 0 | 108.3 | I426 Y798 Y802 G858 T859 | T422-I426 CarbonylContact C-O 3.5Å; T422-I426 WeakPolarHBondContact CA-O 3.3Å; T422-I426 WeakPolarHBondContact CG2-O 3.27Å; T422-Y798 HydrophobicContact CG2-CD2 3.66Å; T422-Y798 HydrophobicContact CG2-CE2 4.24Å; T422-Y798 HydrophobicContact CG2-CG 4.43Å; T422-Y798 WeakPolarHBondContact OG1-CB 3.4Å; T422-Y802 PolarHBondContact N-OH 3.24Å; T422-Y802 WeakPolarHBondContact OG1-CE2 3.43Å; T422-Y802 PolarHBondContact OG1-OH 2.79Å; T422-G858 CarbonylContact O-C 3.59Å; T422-G858 WeakPolarHBondContact O-CA 3.46Å; T422-T859 PolarHBondContact N-O 2.86Å; T422-T859 PolarHBondContact O-N 3.39Å |
| 423 | V | 90.4 | Very high | 80.7 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.1 | 172.7 | -166.7 | 0 | 0 | 0 | 0 | 108.4 | C421 G425 I426 Y428 L485 M486 F489 | C421-V423 HydrophobicContact CB-CG2 4.45Å; V423-G425 PolarHBondContact O-N 3.45Å; V423-I426 PolarHBondContact N-O 3.02Å; V423-I426 PolarHBondContact O-N 3.31Å; V423-Y428 HydrophobicContact CB-CE2 4.15Å; V423-Y428 HydrophobicContact CG2-CD2 4.46Å; V423-Y428 HydrophobicContact CG2-CE2 4.49Å; V423-L485 HydrophobicContact CG1-CD2 4.26Å; V423-M486 HydrophobicContact CG1-CG 3.86Å; V423-F489 HydrophobicContact CG1-CB 4.14Å; V423-F489 HydrophobicContact CG1-CD2 4.24Å; V423-F489 HydrophobicContact CG1-CG 4.14Å; V423-F489 HydrophobicContact CG2-CD1 3.71Å; V423-F489 HydrophobicContact CG2-CD2 3.91Å; V423-F489 HydrophobicContact CG2-CE1 3.71Å; V423-F489 HydrophobicContact CG2-CE2 3.91Å; V423-F489 HydrophobicContact CG2-CG 3.82Å; V423-F489 HydrophobicContact CG2-CZ 3.82Å |
| 424 | D | 83.8 | Confident | 78.9 | Confident | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 19.6 | -174 | -136.4 | -1.1 | 0 | 0 | 0 | 115.2 | A481 D482 L485 R787 C791 | D424-A481 HydrophobicContact CB-CB 4.09Å; D424-D482 PolarHBondContact OD2-N 2.62Å; D424-L485 HydrophobicContact CB-CD2 3.88Å; D424-R787 IonicContact OD1-CZ 3.53Å; D424-R787 IonicContact OD1-NE 3.38Å; D424-R787 PolarHBondContact OD1-NE 3.32Å; D424-R787 IonicContact OD1-NH2 3.98Å; D424-R787 PolarHBondContact OD1-NH2 3.37Å; D424-R787 IonicContact OD2-CZ 3.63Å; D424-R787 IonicContact OD2-NE 2.82Å; D424-R787 IonicContact OD2-NH2 2.86Å; D424-R787 PolarHBondContact OD2-NH2 3.29Å; D424-C791 PolarHBondContact O-SG 2.77Å; D424-C791 PolarHBondContact OD1-SG 2.63Å; D424-C791 VanDerWaalsContact OD1-SG 3.39Å |
| 425 | G | 82.5 | Confident | 77.4 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 10.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V423 | V423-G425 PolarHBondContact O-N 3.45Š|
| 426 | I | 88 | Confident | 75.4 | Confident | 47 Ų | 47 | 44 Ų | 44 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.9 | 176.4 | -55.6 | 177.1 | 0 | 0 | 0 | 110 | T422 V423 Y428 A481 | T422-I426 CarbonylContact C-O 3.5Å; T422-I426 WeakPolarHBondContact CA-O 3.3Å; T422-I426 WeakPolarHBondContact CG2-O 3.27Å; V423-I426 PolarHBondContact N-O 3.02Å; V423-I426 PolarHBondContact O-N 3.31Å; I426-Y428 HydrophobicContact CB-CE2 3.77Å; I426-Y428 HydrophobicContact CG2-CD2 4.38Å; I426-Y428 HydrophobicContact CG2-CE1 4.03Å; I426-Y428 HydrophobicContact CG2-CE2 3.78Å; I426-Y428 VanDerWaalsContact O-CD2 3.3Å; I426-Y428 WeakPolarHBondContact O-CD2 3.38Å; I426-Y428 WeakPolarHBondContact O-CE2 3.41Å; I426-A481 HydrophobicContact CD1-CB 4.13Å |
| 427 | D | 89.7 | Confident | 73.5 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 112.8 | -179 | 176.7 | 20.9 | 0 | 0 | 0 | 111.5 | Y798 K801 Y802 | D427-Y798 HydrophobicContact CB-CD1 3.67Å; D427-Y798 HydrophobicContact CB-CD2 4.29Å; D427-Y798 HydrophobicContact CB-CE1 3.36Å; D427-Y798 HydrophobicContact CB-CE2 4.01Å; D427-Y798 HydrophobicContact CB-CG 4.15Å; D427-Y798 WeakPolarHBondContact OD2-CE1 3.21Å; D427-K801 IonicContact OD2-NZ 3.74Å; D427-K801 PolarHBondContact OD2-NZ 3.17Å; D427-Y802 WeakPolarHBondContact OD1-CE1 3.36Å; D427-Y802 PolarHBondContact OD1-OH 2.91Å |
| 428 | Y | 88.6 | Confident | 71.1 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 8% | 0.078 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.4 | 178.9 | -59.8 | -85 | 0 | 0 | 0 | 110.9 | R420 C421 V423 I426 L458 | R420-Y428 VanDerWaalsContact CA-O 3.27Å; R420-Y428 WeakPolarHBondContact CA-O 3.46Å; R420-Y428 WeakPolarHBondContact CB-O 3.46Å; C421-Y428 PolarHBondContact N-O 3.36Å; C421-Y428 VanDerWaalsContact N-O 3.1Å; C421-Y428 PolarHBondContact O-N 3.48Å; V423-Y428 HydrophobicContact CB-CE2 4.15Å; V423-Y428 HydrophobicContact CG2-CD2 4.46Å; V423-Y428 HydrophobicContact CG2-CE2 4.49Å; I426-Y428 HydrophobicContact CB-CE2 3.77Å; I426-Y428 HydrophobicContact CG2-CD2 4.38Å; I426-Y428 HydrophobicContact CG2-CE1 4.03Å; I426-Y428 HydrophobicContact CG2-CE2 3.78Å; I426-Y428 VanDerWaalsContact O-CD2 3.3Å; I426-Y428 WeakPolarHBondContact O-CD2 3.38Å; I426-Y428 WeakPolarHBondContact O-CE2 3.41Å; Y428-L458 HydrophobicContact CD1-CB 3.71Å; Y428-L458 HydrophobicContact CD1-CD1 4.35Å; Y428-L458 HydrophobicContact CD1-CD2 4.14Å; Y428-L458 HydrophobicContact CD1-CG 4.28Å; Y428-L458 HydrophobicContact CD2-CD2 4.06Å; Y428-L458 HydrophobicContact CE1-CB 3.99Å; Y428-L458 HydrophobicContact CE1-CD1 4.05Å; Y428-L458 HydrophobicContact CE1-CG 4.44Å; Y428-L458 HydrophobicContact CE2-CD1 4.23Å; Y428-L458 HydrophobicContact CG-CB 4.24Å; Y428-L458 HydrophobicContact CG-CD2 3.81Å; Y428-L458 HydrophobicContact CG-CG 4.43Å |
| 429 | V | 83.2 | Confident | 68.4 | Low | 57 Ų | 57 | 63.8 Ų | 63.8 | 35% | 0.345 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.4 | -178.4 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | R420 N455 | R420-V429 HydrophobicContact CG-CB 4.45Å; R420-V429 HydrophobicContact CG-CG1 4.22Å; R420-V429 HydrophobicContact CG-CG2 4.27Å; V429-N455 WeakPolarHBondContact O-CB 3.24Å; V429-N455 PolarHBondContact O-ND2 2.9Å |
| 430 | S | 71.1 | Confident | 65.8 | Low | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 130.8 | 167.1 | -121.4 | 0 | 0 | 0 | 0 | 108.3 | K419 K453 | K419-S430 WeakPolarHBondContact O-CB 3.49Å; K419-S430 PolarHBondContact O-N 3.11Å; S430-K453 PolarHBondContact OG-O 3.03Å |
| 431 | S | 60.8 | Low | 63.1 | Low | 56 Ų | 56 | 69.6 Ų | 69.6 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -74.6 | 147 | 173.1 | 42.8 | 0 | 0 | 0 | 0 | 110 | ||
| 432 | E | 54.6 | Low | 60.3 | Low | 107 Ų | 107 | 78.3 Ų | 78.3 | 50% | 0.5 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 158.2 | 176.2 | -53.7 | -153.4 | -146.3 | 0 | 0 | 110.4 | K419 | K419-E432 IonicContact NZ-OE1 3.59Å; K419-E432 PolarHBondContact NZ-OE1 2.97Å; K419-E432 IonicContact NZ-OE2 2.88Å; K419-E432 PolarHBondContact NZ-OE2 3.21Å |
| 433 | I | 51.4 | Low | 57.7 | Low | 72 Ų | 72 | 81.3 Ų | 81.3 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | trans | -85.7 | 106.6 | 160.2 | -63.8 | 170 | 0 | 0 | 0 | 104.5 | D435 K453 | I433-D435 PolarHBondContact O-N 3.02Å; I433-K453 HydrophobicContact CG1-CB 4.29Å; I433-K453 HydrophobicContact CG1-CD 4.08Å | ||
| 434 | E | 43.7 | Very low | 55.4 | Low | 171 Ų | 171 | 84.8 Ų | 84.8 | 80% | 0.799 | 47% | 0.469 | S | S | * | . | trans | -60.7 | 128.8 | 154.7 | -67 | -178 | 149.2 | 0 | 0 | 106.1 | D436 | E434-D436 VanDerWaalsContact C-N 3.31Å; E434-D436 PolarHBondContact O-N 2.84Å | ||
| 435 | D | 42.3 | Very low | 53.4 | Low | 96 Ų | 96 | 88.6 Ų | 88.6 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | trans | -76.5 | 80.3 | -166.9 | -78.4 | -51.9 | 0 | 0 | 0 | 110.9 | I433 E437 K450 | I433-D435 PolarHBondContact O-N 3.02Å; D435-E437 PolarHBondContact O-N 3.1Å; D435-K450 IonicContact OD1-NZ 3.9Å; D435-K450 PolarHBondContact OD1-NZ 3.35Å; D435-K450 IonicContact OD2-NZ 2.72Å; D435-K450 PolarHBondContact OD2-NZ 2.88Å | ||
| 436 | D | 36.9 | Very low | 51.4 | Low | 125 Ų | 125 | 94.3 Ų | 94.3 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | trans | -56 | 105.1 | 169.6 | -80.5 | -41.4 | 0 | 0 | 0 | 110.2 | E434 D438 S439 | E434-D436 VanDerWaalsContact C-N 3.31Å; E434-D436 PolarHBondContact O-N 2.84Å; D436-D438 PolarHBondContact O-N 3.42Å; D436-S439 PolarHBondContact O-N 3.28Å; D436-S439 VanDerWaalsContact O-N 3.11Å; D436-S439 PolarHBondContact O-OG 3.46Å | ||
| 437 | E | 40.5 | Very low | 49.4 | Very low | 203 Ų | 203 | 93.2 Ų | 93.2 | 95% | 0.949 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.1 | -166.5 | -66.3 | -164.7 | 118.6 | 0 | 0 | 114.9 | D435 | D435-E437 PolarHBondContact O-N 3.1Š|
| 438 | D | 35.4 | Very low | 47.4 | Very low | 170 Ų | 170 | 93.8 Ų | 93.8 | 91% | 0.909 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7.8 | -178.4 | -75.9 | -42.9 | 0 | 0 | 0 | 114.5 | D436 A440 | D436-D438 PolarHBondContact O-N 3.42Å; D438-A440 PolarHBondContact O-N 2.95Å |
| 439 | S | 31.3 | Very low | 45.5 | Very low | 79 Ų | 79 | 93.9 Ų | 93.9 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -84.4 | 104.3 | -177.2 | 64.8 | 0 | 0 | 0 | 0 | 112.4 | D436 | D436-S439 PolarHBondContact O-N 3.28Å; D436-S439 VanDerWaalsContact O-N 3.11Å; D436-S439 PolarHBondContact O-OG 3.46Å |
| 440 | A | 31.6 | Very low | 44.1 | Very low | 92 Ų | 92 | 94.4 Ų | 94.4 | 76% | 0.76 | 52% | 0.524 | S | S | * | . | trans | -54.5 | 123.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D438 L442 | D438-A440 PolarHBondContact O-N 2.95Å; A440-L442 PolarHBondContact O-N 3.05Å | ||
| 441 | P | 33.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 97.7 Ų | 97.7 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | trans | -73.5 | 109 | -165.2 | 27.1 | -35.1 | 0 | 0 | 0 | 111.8 | T443 | P441-T443 HydrophobicContact CB-CG2 4Å; P441-T443 PolarHBondContact O-N 2.84Å | ||
| 442 | L | 34.3 | Very low | 44 | Very low | 184 Ų | 184 | 96.1 Ų | 96.1 | 96% | 0.963 | 54% | 0.539 | S | S | * | . | trans | -70.6 | 43.7 | 161.9 | -89.3 | 161.8 | 0 | 0 | 0 | 111.5 | A440 | A440-L442 PolarHBondContact O-N 3.05Š| ||
| 443 | T | 37.4 | Very low | 44.9 | Very low | 62 Ų | 62 | 96.2 Ų | 96.2 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | trans | -83.8 | 122.5 | 173.3 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | P441 V445 | P441-T443 HydrophobicContact CB-CG2 4Å; P441-T443 PolarHBondContact O-N 2.84Å; T443-V445 VanDerWaalsContact C-N 3.27Å; T443-V445 PolarHBondContact O-N 3.27Å | ||
| 444 | N | 42.5 | Very low | 46.2 | Very low | 75 Ų | 75 | 94.2 Ų | 94.2 | 40% | 0.401 | 53% | 0.53 | S | S | . | . | trans | -70.5 | 92.6 | 159.1 | -109.7 | -24.8 | 0 | 0 | 0 | 107.1 | R446 S447 | N444-R446 PolarHBondContact O-N 2.93Å; N444-S447 WeakPolarHBondContact CB-OG 3.39Å; N444-S447 PolarHBondContact O-N 2.7Å; N444-S447 PolarHBondContact O-OG 2.84Å | ||
| 445 | V | 41.7 | Very low | 48.1 | Very low | 98 Ų | 98 | 87.3 Ų | 87.3 | 59% | 0.594 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -17.4 | -169.7 | -177.1 | 0 | 0 | 0 | 0 | 113.8 | T443 K1047 | T443-V445 VanDerWaalsContact C-N 3.27Å; T443-V445 PolarHBondContact O-N 3.27Å; V445-K1047 PolarHBondContact O-NZ 2.9Å |
| 446 | R | 41.4 | Very low | 50 | Low | 122 Ų | 122 | 87 Ų | 87 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -25.8 | 175 | -118 | -174.9 | -176.4 | 154.7 | 2.3 | 115.7 | N444 L513 | N444-R446 PolarHBondContact O-N 2.93Å; R446-L513 PolarHBondContact NH1-O 3.5Å |
| 447 | S | 45.1 | Very low | 52.1 | Low | 23 Ų | 23 | 85.4 Ų | 85.4 | 16% | 0.161 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -13.8 | -175 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | N444 V449 | N444-S447 WeakPolarHBondContact CB-OG 3.39Å; N444-S447 PolarHBondContact O-N 2.7Å; N444-S447 PolarHBondContact O-OG 2.84Å; S447-V449 PolarHBondContact O-N 2.89Å |
| 448 | G | 46.9 | Very low | 54.1 | Low | 45 Ų | 45 | 75.8 Ų | 75.8 | 46% | 0.464 | 45% | 0.452 | S | S | . | . | trans | 63.9 | 35.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L415 | L415-G448 WeakPolarHBondContact CD1-O 3.35Š| ||
| 449 | V | 49.6 | Very low | 56.5 | Low | 22 Ų | 22 | 71 Ų | 71 | 13% | 0.133 | 42% | 0.423 | C | S | . | . | trans | -134.3 | 119.6 | 179.2 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | S447 L703 H707 | S447-V449 PolarHBondContact O-N 2.89Å; V449-L703 HydrophobicContact CG2-CD2 4.12Å; V449-L703 HydrophobicContact CG2-CG 4.12Å; V449-H707 HydrophobicContact CG1-CB 4.1Å | ||
| 450 | K | 53.5 | Low | 58.9 | Low | 67 Ų | 67 | 73.1 Ų | 73.1 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 147.6 | 165.3 | -81.1 | -163.2 | 178.6 | -170.2 | 0 | 109.4 | L415 D435 V452 | L415-K450 HydrophobicContact CD2-CG 4.4Å; D435-K450 IonicContact OD1-NZ 3.9Å; D435-K450 PolarHBondContact OD1-NZ 3.35Å; D435-K450 IonicContact OD2-NZ 2.72Å; D435-K450 PolarHBondContact OD2-NZ 2.88Å; K450-V452 PolarHBondContact O-N 3.4Å |
| 451 | A | 59.2 | Low | 61.3 | Low | 78 Ų | 78 | 70.4 Ų | 70.4 | 65% | 0.645 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 122.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K453 | A451-K453 PolarHBondContact O-N 3.34Š|
| 452 | V | 70.1 | Confident | 63.6 | Low | 23 Ų | 23 | 65.6 Ų | 65.6 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -71 | 119.9 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | F418 K450 P454 A711 | F418-V452 HydrophobicContact CB-CG2 4.36Å; F418-V452 HydrophobicContact CD1-CG1 4.29Å; K450-V452 PolarHBondContact O-N 3.4Å; V452-P454 VanDerWaalsContact O-CD 3.32Å; V452-P454 WeakPolarHBondContact O-CD 3.17Å; V452-A711 HydrophobicContact CB-CB 4.06Å; V452-A711 HydrophobicContact CG1-CB 4.39Å; V452-A711 WeakPolarHBondContact O-CB 3.37Å |
| 453 | K | 74.8 | Confident | 65.9 | Low | 110 Ų | 110 | 59.3 Ų | 59.3 | 48% | 0.478 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 107.7 | 173.2 | -165 | 175.3 | -172.7 | 174 | 0 | 107.8 | S430 I433 A451 | S430-K453 PolarHBondContact OG-O 3.03Å; I433-K453 HydrophobicContact CG1-CB 4.29Å; I433-K453 HydrophobicContact CG1-CD 4.08Å; A451-K453 PolarHBondContact O-N 3.34Å |
| 454 | P | 79.2 | Confident | 67.9 | Low | 29 Ų | 29 | 59.5 Ų | 59.5 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | trans | -68.3 | 149.5 | -172.7 | 28.5 | -35.3 | 0 | 0 | 0 | 111 | V452 K459 Y712 | V452-P454 VanDerWaalsContact O-CD 3.32Å; V452-P454 WeakPolarHBondContact O-CD 3.17Å; P454-K459 HydrophobicContact CB-CB 4.25Å; P454-K459 HydrophobicContact CB-CD 4.28Å; P454-K459 HydrophobicContact CG-CB 4.46Å; P454-K459 HydrophobicContact CG-CD 3.7Å; P454-Y712 HydrophobicContact CB-CD1 3.68Å; P454-Y712 HydrophobicContact CB-CD2 4.32Å; P454-Y712 HydrophobicContact CB-CE1 3.42Å; P454-Y712 VanDerWaalsContact CB-CE1 3.42Å; P454-Y712 HydrophobicContact CB-CE2 4.09Å; P454-Y712 HydrophobicContact CB-CG 4.12Å | ||
| 455 | N | 83 | Confident | 69.5 | Low | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | trans | -59.7 | 125.4 | 172.8 | 178.5 | -84 | 0 | 0 | 0 | 109.3 | V429 T457 L458 K459 Y712 | V429-N455 WeakPolarHBondContact O-CB 3.24Å; V429-N455 PolarHBondContact O-ND2 2.9Å; N455-T457 VanDerWaalsContact C-N 3.33Å; N455-T457 PolarHBondContact O-N 3.01Å; N455-T457 WeakPolarHBondContact OD1-CB 3.46Å; N455-T457 PolarHBondContact OD1-N 3.11Å; N455-T457 VanDerWaalsContact OD1-N 3.14Å; N455-L458 HydrophobicContact CB-CB 4.16Å; N455-L458 PolarHBondContact O-N 3.3Å; N455-L458 PolarHBondContact OD1-N 3.15Å; N455-K459 WeakPolarHBondContact O-CB 3.13Å; N455-K459 PolarHBondContact O-N 2.96Å; N455-Y712 HydrophobicContact CB-CE1 4.47Å; N455-Y712 WeakPolarHBondContact CB-OH 3.18Å; N455-Y712 PolarHBondContact N-OH 3.15Å | ||
| 456 | P | 81.2 | Confident | 70.8 | Confident | 91 Ų | 91 | 54 Ų | 54 | 59% | 0.591 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.3 | -34.2 | -170.9 | 25.1 | -34.2 | 0 | 0 | 0 | 112.7 | K460 | P456-K460 VanDerWaalsContact O-CB 3.31Å; P456-K460 WeakPolarHBondContact O-CB 3.31Å; P456-K460 PolarHBondContact O-N 3.35Å |
| 457 | T | 82.1 | Confident | 72 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.4 | -49.2 | 178.4 | -45 | 0 | 0 | 0 | 0 | 111.1 | N455 K460 I461 | N455-T457 VanDerWaalsContact C-N 3.33Å; N455-T457 PolarHBondContact O-N 3.01Å; N455-T457 WeakPolarHBondContact OD1-CB 3.46Å; N455-T457 PolarHBondContact OD1-N 3.11Å; N455-T457 VanDerWaalsContact OD1-N 3.14Å; T457-K460 PolarHBondContact O-N 3.11Å; T457-I461 HydrophobicContact CG2-CD1 4.32Å; T457-I461 WeakPolarHBondContact O-CG1 3.45Å; T457-I461 PolarHBondContact O-N 3.12Å |
| 458 | L | 82.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.6 | -178.3 | 58.1 | 0 | 0 | 0 | 111.6 | Y428 N455 I461 I462 M486 F490 Y712 | Y428-L458 HydrophobicContact CD1-CB 3.71Å; Y428-L458 HydrophobicContact CD1-CD1 4.35Å; Y428-L458 HydrophobicContact CD1-CD2 4.14Å; Y428-L458 HydrophobicContact CD1-CG 4.28Å; Y428-L458 HydrophobicContact CD2-CD2 4.06Å; Y428-L458 HydrophobicContact CE1-CB 3.99Å; Y428-L458 HydrophobicContact CE1-CD1 4.05Å; Y428-L458 HydrophobicContact CE1-CG 4.44Å; Y428-L458 HydrophobicContact CE2-CD1 4.23Å; Y428-L458 HydrophobicContact CG-CB 4.24Å; Y428-L458 HydrophobicContact CG-CD2 3.81Å; Y428-L458 HydrophobicContact CG-CG 4.43Å; N455-L458 HydrophobicContact CB-CB 4.16Å; N455-L458 PolarHBondContact O-N 3.3Å; N455-L458 PolarHBondContact OD1-N 3.15Å; L458-I461 PolarHBondContact O-N 2.8Å; L458-I462 HydrophobicContact CD1-CD1 4.19Å; L458-I462 HydrophobicContact CG-CD1 4.06Å; L458-I462 WeakPolarHBondContact O-CD1 3.34Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 2.74Å; L458-I462 VanDerWaalsContact O-N 3.11Å; L458-M486 HydrophobicContact CD1-SD 3.99Å; L458-F490 HydrophobicContact CD2-CE2 4.16Å; L458-F490 HydrophobicContact CD2-CZ 3.91Å; L458-Y712 HydrophobicContact CB-CE1 4.05Å; L458-Y712 HydrophobicContact CD2-CE1 3.88Å; L458-Y712 HydrophobicContact CG-CD1 4.35Å; L458-Y712 HydrophobicContact CG-CE1 3.92Å |
| 459 | K | 84.8 | Confident | 72.4 | Confident | 70 Ų | 70 | 60 Ų | 60 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 174.3 | 175.4 | 159.1 | -179.3 | 165.1 | 0 | 111.5 | P454 N455 I461 I462 D463 Y712 | P454-K459 HydrophobicContact CB-CB 4.25Å; P454-K459 HydrophobicContact CB-CD 4.28Å; P454-K459 HydrophobicContact CG-CB 4.46Å; P454-K459 HydrophobicContact CG-CD 3.7Å; N455-K459 WeakPolarHBondContact O-CB 3.13Å; N455-K459 PolarHBondContact O-N 2.96Å; K459-I461 VanDerWaalsContact C-N 3.3Å; K459-I461 PolarHBondContact O-N 2.85Å; K459-I462 CarbonylContact O-C 3.52Å; K459-I462 PolarHBondContact O-N 2.94Å; K459-D463 WeakPolarHBondContact CE-OD2 3.46Å; K459-D463 VanDerWaalsContact CG-OD2 3.23Å; K459-D463 WeakPolarHBondContact CG-OD2 3.39Å; K459-D463 PolarHBondContact O-N 3.14Å; K459-Y712 HydrophobicContact CB-CD1 4.09Å; K459-Y712 HydrophobicContact CB-CE1 4.29Å |
| 460 | K | 82.8 | Confident | 72.1 | Confident | 124 Ų | 124 | 66.7 Ų | 66.7 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 177.5 | -171.1 | 178.1 | -171.9 | -68.5 | 0 | 111.5 | P456 T457 I462 D463 D464 | P456-K460 VanDerWaalsContact O-CB 3.31Å; P456-K460 WeakPolarHBondContact O-CB 3.31Å; P456-K460 PolarHBondContact O-N 3.35Å; T457-K460 PolarHBondContact O-N 3.11Å; K460-I462 VanDerWaalsContact C-N 3.27Å; K460-I462 PolarHBondContact O-N 3.49Å; K460-D463 PolarHBondContact O-N 3.25Å; K460-D464 WeakPolarHBondContact CG-OD1 3.31Å; K460-D464 IonicContact NZ-OD1 3.08Å; K460-D464 PolarHBondContact NZ-OD1 2.9Å; K460-D464 IonicContact NZ-OD2 3.23Å; K460-D464 PolarHBondContact NZ-OD2 2.63Å; K460-D464 WeakPolarHBondContact O-CB 3.49Å; K460-D464 PolarHBondContact O-N 3.47Å |
| 461 | I | 81.6 | Confident | 71.3 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 174.8 | -71.1 | 163.5 | 0 | 0 | 0 | 111.7 | T457 L458 K459 L465 L479 M486 | T457-I461 HydrophobicContact CG2-CD1 4.32Å; T457-I461 WeakPolarHBondContact O-CG1 3.45Å; T457-I461 PolarHBondContact O-N 3.12Å; L458-I461 PolarHBondContact O-N 2.8Å; K459-I461 VanDerWaalsContact C-N 3.3Å; K459-I461 PolarHBondContact O-N 2.85Å; I461-L465 HydrophobicContact CG2-CD1 4.41Å; I461-L465 WeakPolarHBondContact O-CB 3.21Å; I461-L465 WeakPolarHBondContact O-CD1 3.41Å; I461-L465 WeakPolarHBondContact O-CG 3.08Å; I461-L465 PolarHBondContact O-N 3.37Å; I461-L479 HydrophobicContact CG2-CD2 4.14Å; I461-M486 HydrophobicContact CG2-CE 3.52Å; I461-M486 HydrophobicContact CG2-SD 3.77Å |
| 462 | I | 82.3 | Confident | 70.3 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.015 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -74.4 | -38.3 | 178.1 | -65.5 | 163.2 | 0 | 0 | 0 | 112.1 | L458 K459 K460 F466 F490 Y712 I714 P729 | L458-I462 HydrophobicContact CD1-CD1 4.19Å; L458-I462 HydrophobicContact CG-CD1 4.06Å; L458-I462 WeakPolarHBondContact O-CD1 3.34Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 2.74Å; L458-I462 VanDerWaalsContact O-N 3.11Å; K459-I462 CarbonylContact O-C 3.52Å; K459-I462 PolarHBondContact O-N 2.94Å; K460-I462 VanDerWaalsContact C-N 3.27Å; K460-I462 PolarHBondContact O-N 3.49Å; I462-F466 WeakPolarHBondContact O-CD2 3.17Å; I462-F490 HydrophobicContact CD1-CD2 3.83Å; I462-F490 HydrophobicContact CD1-CE2 3.5Å; I462-F490 VanDerWaalsContact CD1-CE2 3.5Å; I462-F490 HydrophobicContact CD1-CZ 4.24Å; I462-Y712 HydrophobicContact CD1-CD1 3.95Å; I462-Y712 HydrophobicContact CD1-CG 4.31Å; I462-I714 HydrophobicContact CG2-CD1 4.38Å; I462-P729 HydrophobicContact CG2-CG 3.86Å |
| 463 | D | 82.1 | Confident | 68.5 | Low | 53 Ų | 53 | 78.4 Ų | 78.4 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.8 | -43.9 | 178.6 | -67.7 | -25.6 | 0 | 0 | 0 | 111 | K459 K460 L465 F466 S467 | K459-D463 WeakPolarHBondContact CE-OD2 3.46Å; K459-D463 VanDerWaalsContact CG-OD2 3.23Å; K459-D463 WeakPolarHBondContact CG-OD2 3.39Å; K459-D463 PolarHBondContact O-N 3.14Å; K460-D463 PolarHBondContact O-N 3.25Å; D463-L465 VanDerWaalsContact C-N 3.26Å; D463-L465 PolarHBondContact O-N 2.74Å; D463-F466 PolarHBondContact O-N 3.15Å; D463-F466 VanDerWaalsContact O-N 3.15Å; D463-S467 PolarHBondContact O-N 3.43Å; D463-S467 PolarHBondContact O-OG 2.86Å |
| 464 | D | 79 | Confident | 66.5 | Low | 66 Ų | 66 | 76.5 Ų | 76.5 | 35% | 0.353 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.1 | -41.4 | 174.9 | -71.1 | -12.1 | 0 | 0 | 0 | 110.6 | K460 F466 S467 | K460-D464 WeakPolarHBondContact CG-OD1 3.31Å; K460-D464 IonicContact NZ-OD1 3.08Å; K460-D464 PolarHBondContact NZ-OD1 2.9Å; K460-D464 IonicContact NZ-OD2 3.23Å; K460-D464 PolarHBondContact NZ-OD2 2.63Å; K460-D464 WeakPolarHBondContact O-CB 3.49Å; K460-D464 PolarHBondContact O-N 3.47Å; D464-F466 PolarHBondContact O-N 3.06Å; D464-F466 VanDerWaalsContact O-N 3.16Å; D464-S467 WeakPolarHBondContact O-CB 3.41Å; D464-S467 PolarHBondContact O-N 2.88Å |
| 465 | L | 75.6 | Confident | 64.2 | Low | 43 Ų | 43 | 80.9 Ų | 80.9 | 23% | 0.225 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.6 | 179.4 | -97.2 | 168.1 | 0 | 0 | 0 | 115.1 | I461 D463 P483 | I461-L465 HydrophobicContact CG2-CD1 4.41Å; I461-L465 WeakPolarHBondContact O-CB 3.21Å; I461-L465 WeakPolarHBondContact O-CD1 3.41Å; I461-L465 WeakPolarHBondContact O-CG 3.08Å; I461-L465 PolarHBondContact O-N 3.37Å; D463-L465 VanDerWaalsContact C-N 3.26Å; D463-L465 PolarHBondContact O-N 2.74Å; L465-P483 HydrophobicContact CD1-CB 3.56Å; L465-P483 HydrophobicContact CD2-CB 3.37Å; L465-P483 HydrophobicContact CD2-CG 4.36Å; L465-P483 HydrophobicContact CG-CB 4.03Å |
| 466 | F | 70.7 | Confident | 61.7 | Low | 13 Ų | 13 | 85.1 Ų | 85.1 | 6% | 0.057 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 8.6 | 179.5 | -71.2 | -108.6 | 0 | 0 | 0 | 111.6 | I462 D463 D464 I487 W538 M728 P729 N730 | I462-F466 WeakPolarHBondContact O-CD2 3.17Å; D463-F466 PolarHBondContact O-N 3.15Å; D463-F466 VanDerWaalsContact O-N 3.15Å; D464-F466 PolarHBondContact O-N 3.06Å; D464-F466 VanDerWaalsContact O-N 3.16Å; F466-I487 HydrophobicContact CE2-CD1 3.79Å; F466-I487 HydrophobicContact CE2-CG1 4Å; F466-I487 HydrophobicContact CZ-CD1 3.86Å; F466-I487 HydrophobicContact CZ-CG1 4.18Å; F466-W538 AromaticContact CD1-CH2 3.91Å; F466-W538 HydrophobicContact CD1-CH2 3.91Å; F466-W538 AromaticContact CE1-CH2 3.34Å; F466-W538 HydrophobicContact CE1-CH2 3.34Å; F466-W538 AromaticContact CE1-CZ2 3.92Å; F466-W538 HydrophobicContact CE1-CZ2 3.92Å; F466-W538 HydrophobicContact CE1-CZ3 4.33Å; F466-W538 HydrophobicContact CE2-CH2 4.19Å; F466-W538 HydrophobicContact CE2-CZ3 4.49Å; F466-W538 AromaticContact CZ-CH2 3.51Å; F466-W538 HydrophobicContact CZ-CH2 3.51Å; F466-W538 HydrophobicContact CZ-CZ2 4.12Å; F466-W538 HydrophobicContact CZ-CZ3 4.21Å; F466-M728 HydrophobicContact CD1-CB 4.07Å; F466-M728 HydrophobicContact CE1-CB 3.55Å; F466-M728 HydrophobicContact CE1-CE 4.14Å; F466-M728 HydrophobicContact CE1-CG 3.81Å; F466-M728 HydrophobicContact CE1-SD 4.1Å; F466-M728 HydrophobicContact CZ-CB 4.34Å; F466-M728 HydrophobicContact CZ-CE 3.97Å; F466-M728 HydrophobicContact CZ-CG 4.39Å; F466-M728 HydrophobicContact CZ-SD 4.06Å; F466-P729 HydrophobicContact CB-CB 4.13Å; F466-P729 HydrophobicContact CD1-CG 4.5Å; F466-P729 HydrophobicContact CD2-CB 4.45Å; F466-P729 HydrophobicContact CD2-CG 4.05Å; F466-P729 HydrophobicContact CE2-CG 4.28Å; F466-P729 HydrophobicContact CG-CB 4.16Å; F466-P729 HydrophobicContact CG-CG 4.15Å; F466-N730 HydrophobicContact CB-CB 4.22Å; F466-N730 HydrophobicContact CD1-CB 4.36Å |
| 467 | S | 65.5 | Low | 59.4 | Low | 89 Ų | 89 | 90 Ų | 90 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -9.1 | 179.5 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | D463 D464 | D463-S467 PolarHBondContact O-N 3.43Å; D463-S467 PolarHBondContact O-OG 2.86Å; D464-S467 WeakPolarHBondContact O-CB 3.41Å; D464-S467 PolarHBondContact O-N 2.88Å |
| 468 | L | 53 | Low | 57.1 | Low | 125 Ų | 125 | 92.3 Ų | 92.3 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | trans | -100.1 | 26.8 | -171.5 | -68.9 | 168.7 | 0 | 0 | 0 | 114.2 | D470 | L468-D470 VanDerWaalsContact C-N 3.33Å; L468-D470 PolarHBondContact O-N 3.13Å | ||
| 469 | E | 48.4 | Very low | 55.1 | Low | 104 Ų | 104 | 96.8 Ų | 96.8 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -78.8 | -4.4 | -177 | -69.8 | -167.9 | 106.1 | 0 | 0 | 114.8 | N730 Q732 | E469-N730 PolarHBondContact OE2-ND2 3.05Å; E469-Q732 PolarHBondContact OE2-NE2 3.22Å |
| 470 | D | 42.9 | Very low | 53.4 | Low | 162 Ų | 162 | 98.8 Ų | 98.8 | 87% | 0.866 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -123.1 | -8.7 | -170.8 | -81 | -50.6 | 0 | 0 | 0 | 117.8 | L468 | L468-D470 VanDerWaalsContact C-N 3.33Å; L468-D470 PolarHBondContact O-N 3.13Å |
| 471 | D | 36.1 | Very low | 52 | Low | 127 Ų | 127 | 93.2 Ų | 93.2 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | trans | -120.1 | 111.7 | -177.7 | -98.1 | -44.3 | 0 | 0 | 0 | 112.9 | S473 | D471-S473 PolarHBondContact O-N 3.36Š| ||
| 472 | E | 37.7 | Very low | 51.3 | Low | 181 Ų | 181 | 93.8 Ų | 93.8 | 85% | 0.846 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -81.3 | 13 | 177.2 | -69.4 | -156.5 | 127.7 | 0 | 0 | 114.3 | K540 | E472-K540 IonicContact OE1-NZ 3.5Å; E472-K540 PolarHBondContact OE1-NZ 3.04Å |
| 473 | S | 34 | Very low | 50.7 | Low | 105 Ų | 105 | 96.1 Ų | 96.1 | 73% | 0.734 | 55% | 0.546 | S | S | * | . | trans | -132.6 | 62.6 | -177 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | D471 | D471-S473 PolarHBondContact O-N 3.36Š| ||
| 474 | A | 33 | Very low | 50.4 | Low | 70 Ų | 70 | 97 Ų | 97 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | trans | -122.5 | 118.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 475 | T | 30 | Very low | 50.6 | Low | 122 Ų | 122 | 94.2 Ų | 94.2 | 75% | 0.748 | 53% | 0.534 | S | S | * | . | trans | -74.6 | 165.9 | -179.9 | 35.2 | 0 | 0 | 0 | 0 | 113.3 | Y477 | T475-Y477 WeakPolarHBondContact O-CD2 3.49Å; T475-Y477 PolarHBondContact O-N 2.91Å | ||
| 476 | S | 30.1 | Very low | 51.1 | Low | 114 Ų | 114 | 92.3 Ų | 92.3 | 80% | 0.797 | 52% | 0.523 | S | S | * | . | trans | -48.4 | 105.3 | -174 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 477 | Y | 33.3 | Very low | 52 | Low | 194 Ų | 194 | 92.3 Ų | 92.3 | 76% | 0.761 | 52% | 0.524 | S | S | * | . | trans | -90.7 | 125 | 158.1 | -71 | -81.1 | 0 | 0 | 0 | 109.7 | T475 L479 | T475-Y477 WeakPolarHBondContact O-CD2 3.49Å; T475-Y477 PolarHBondContact O-N 2.91Å; Y477-L479 VanDerWaalsContact C-N 3.28Å; Y477-L479 PolarHBondContact O-N 2.82Å | ||
| 478 | T | 33.1 | Very low | 53.2 | Low | 140 Ų | 140 | 88.6 Ų | 88.6 | 86% | 0.859 | 50% | 0.497 | S | S | * | . | trans | -78.7 | 68.9 | -176.7 | 39.4 | 0 | 0 | 0 | 0 | 112.4 | S480 | T478-S480 PolarHBondContact O-N 3.07Š| ||
| 479 | L | 42.1 | Very low | 55.2 | Low | 94 Ų | 94 | 82.6 Ų | 82.6 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | trans | -59.3 | 122.3 | 164.7 | -102.8 | 72 | 0 | 0 | 0 | 109.3 | I461 Y477 A481 | I461-L479 HydrophobicContact CG2-CD2 4.14Å; Y477-L479 VanDerWaalsContact C-N 3.28Å; Y477-L479 PolarHBondContact O-N 2.82Å; L479-A481 VanDerWaalsContact C-N 3.26Å; L479-A481 PolarHBondContact O-N 2.77Å | ||
| 480 | S | 48.4 | Very low | 57.3 | Low | 111 Ų | 111 | 77.7 Ų | 77.7 | 78% | 0.776 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -85.3 | 4.8 | -177.8 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | T478 | T478-S480 PolarHBondContact O-N 3.07Š|
| 481 | A | 53.2 | Low | 59.7 | Low | 8 Ų | 8 | 70 Ų | 70 | 7% | 0.066 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -135.5 | 141.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | D424 I426 L479 M486 | D424-A481 HydrophobicContact CB-CB 4.09Å; I426-A481 HydrophobicContact CD1-CB 4.13Å; L479-A481 VanDerWaalsContact C-N 3.26Å; L479-A481 PolarHBondContact O-N 2.77Å; A481-M486 HydrophobicContact CB-CE 4Å; A481-M486 HydrophobicContact CB-SD 4.35Å |
| 482 | D | 67.4 | Low | 62.5 | Low | 46 Ų | 46 | 64 Ų | 64 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | trans | -66.1 | 121.9 | -179.6 | 175.9 | -6.3 | 0 | 0 | 0 | 111.5 | D424 E484 L485 M486 R787 | D424-D482 PolarHBondContact OD2-N 2.62Å; D482-E484 VanDerWaalsContact C-N 3.35Å; D482-E484 PolarHBondContact O-N 2.89Å; D482-E484 PolarHBondContact OD1-N 2.79Å; D482-L485 HydrophobicContact CB-CB 3.94Å; D482-L485 PolarHBondContact O-N 3.02Å; D482-L485 PolarHBondContact OD1-N 3.12Å; D482-M486 PolarHBondContact O-N 3.18Å; D482-R787 IonicContact OD2-CZ 3.47Å; D482-R787 VanDerWaalsContact OD2-CZ 3.3Å; D482-R787 IonicContact OD2-NH1 3.7Å; D482-R787 PolarHBondContact OD2-NH1 3.39Å; D482-R787 IonicContact OD2-NH2 3.98Å; D482-R787 PolarHBondContact OD2-NH2 2.91Å | ||
| 483 | P | 69.2 | Low | 65.2 | Low | 51 Ų | 51 | 55.5 Ų | 55.5 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -35.7 | -177.3 | 26 | -34.3 | 0 | 0 | 0 | 113.6 | L465 L485 M486 I487 | L465-P483 HydrophobicContact CD1-CB 3.56Å; L465-P483 HydrophobicContact CD2-CB 3.37Å; L465-P483 HydrophobicContact CD2-CG 4.36Å; L465-P483 HydrophobicContact CG-CB 4.03Å; P483-L485 VanDerWaalsContact C-N 3.35Å; P483-M486 PolarHBondContact O-N 2.79Å; P483-I487 PolarHBondContact O-N 3.15Å |
| 484 | E | 77 | Confident | 68 | Low | 73 Ų | 73 | 50.5 Ų | 50.5 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | -179.4 | -160.8 | -159.5 | -151.1 | 0 | 0 | 110.4 | D482 M486 I487 H488 K814 | D482-E484 VanDerWaalsContact C-N 3.35Å; D482-E484 PolarHBondContact O-N 2.89Å; D482-E484 PolarHBondContact OD1-N 2.79Å; E484-M486 VanDerWaalsContact C-N 3.33Å; E484-M486 PolarHBondContact O-N 2.98Å; E484-I487 PolarHBondContact O-N 3.46Å; E484-H488 PolarHBondContact O-CD2 3.23Å; E484-H488 PolarHBondContact O-N 3.04Å; E484-H488 IonicContact OE1-NE2 3.69Å; E484-H488 IonicContact OE2-NE2 2.82Å; E484-K814 IonicContact OE2-NZ 2.87Å; E484-K814 PolarHBondContact OE2-NZ 2.92Å |
| 485 | L | 83.2 | Confident | 70.9 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.6 | -161.7 | 98.3 | 0 | 0 | 0 | 112.2 | V423 D424 D482 P483 H488 F489 L857 | V423-L485 HydrophobicContact CG1-CD2 4.26Å; D424-L485 HydrophobicContact CB-CD2 3.88Å; D482-L485 HydrophobicContact CB-CB 3.94Å; D482-L485 PolarHBondContact O-N 3.02Å; D482-L485 PolarHBondContact OD1-N 3.12Å; P483-L485 VanDerWaalsContact C-N 3.35Å; L485-H488 PolarHBondContact O-N 3.12Å; L485-F489 WeakPolarHBondContact O-CB 3.23Å; L485-F489 PolarHBondContact O-N 3.35Å; L485-L857 HydrophobicContact CD1-CD2 3.72Å; L485-L857 HydrophobicContact CG-CD2 3.89Å |
| 486 | M | 85.9 | Confident | 73.9 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.4 | -75.3 | -177.6 | -74.8 | 0 | 0 | 112 | V423 L458 I461 A481 D482 P483 E484 F489 F490 | V423-M486 HydrophobicContact CG1-CG 3.86Å; L458-M486 HydrophobicContact CD1-SD 3.99Å; I461-M486 HydrophobicContact CG2-CE 3.52Å; I461-M486 HydrophobicContact CG2-SD 3.77Å; A481-M486 HydrophobicContact CB-CE 4Å; A481-M486 HydrophobicContact CB-SD 4.35Å; D482-M486 PolarHBondContact O-N 3.18Å; P483-M486 PolarHBondContact O-N 2.79Å; E484-M486 VanDerWaalsContact C-N 3.33Å; E484-M486 PolarHBondContact O-N 2.98Å; M486-F489 WeakPolarHBondContact O-CB 3.47Å; M486-F489 PolarHBondContact O-N 3.37Å; M486-F490 WeakPolarHBondContact O-CD2 3.45Å; M486-F490 PolarHBondContact O-N 2.74Å |
| 487 | I | 88.1 | Confident | 76.8 | Confident | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 174.2 | -63.8 | 171 | 0 | 0 | 0 | 110.1 | F466 P483 E484 F489 F490 V491 W538 M728 | F466-I487 HydrophobicContact CE2-CD1 3.79Å; F466-I487 HydrophobicContact CE2-CG1 4Å; F466-I487 HydrophobicContact CZ-CD1 3.86Å; F466-I487 HydrophobicContact CZ-CG1 4.18Å; P483-I487 PolarHBondContact O-N 3.15Å; E484-I487 PolarHBondContact O-N 3.46Å; I487-F489 VanDerWaalsContact C-N 3.3Å; I487-F489 PolarHBondContact O-N 3.3Å; I487-F490 PolarHBondContact O-N 2.71Å; I487-V491 HydrophobicContact CG2-CG2 4.14Å; I487-V491 WeakPolarHBondContact O-CB 3.47Å; I487-V491 VanDerWaalsContact O-CG2 3.31Å; I487-V491 WeakPolarHBondContact O-CG2 3.35Å; I487-V491 PolarHBondContact O-N 3.1Å; I487-W538 HydrophobicContact CD1-CD2 4.25Å; I487-W538 HydrophobicContact CD1-CE3 3.76Å; I487-W538 HydrophobicContact CD1-CH2 4.05Å; I487-W538 HydrophobicContact CD1-CZ2 4.46Å; I487-W538 HydrophobicContact CD1-CZ3 3.65Å; I487-M728 HydrophobicContact CG2-CE 3.85Å |
| 488 | H | 92.4 | Very high | 79.1 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -35.9 | 176.8 | -77.7 | -63.9 | 0 | 0 | 0 | 113.7 | E484 L485 N492 F764 Y766 K814 L857 | E484-H488 PolarHBondContact O-CD2 3.23Å; E484-H488 PolarHBondContact O-N 3.04Å; E484-H488 IonicContact OE1-NE2 3.69Å; E484-H488 IonicContact OE2-NE2 2.82Å; L485-H488 PolarHBondContact O-N 3.12Å; H488-N492 WeakPolarHBondContact O-CB 3.35Å; H488-N492 PolarHBondContact O-N 2.98Å; H488-F764 AromaticContact CE1-CE1 3.5Å; H488-F764 VanDerWaalsContact CE1-CE1 3.5Å; H488-F764 WeakPolarHBondContact CE1-CE1 3.25Å; H488-F764 AromaticContact CE1-CZ 3.62Å; H488-Y766 HydrophobicContact CB-CE1 4.4Å; H488-Y766 AromaticContact ND1-CE1 3.88Å; H488-Y766 AromaticContact ND1-CZ 3.81Å; H488-Y766 PolarHBondContact ND1-OH 2.88Å; H488-K814 HydrophobicContact CB-CD 4.35Å; H488-K814 PolarHBondContact CD2-NZ 2.9Å; H488-K814 PolarHBondContact NE2-NZ 3.2Å; H488-L857 HydrophobicContact CB-CD1 4.43Å; H488-L857 HydrophobicContact CB-CD2 3.69Å |
| 489 | F | 94.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -50.4 | 177.5 | -177.7 | -91.8 | 0 | 0 | 0 | 111.7 | C421 V423 L485 M486 I487 N492 M493 L812 L857 T860 | C421-F489 HydrophobicContact CB-CE1 3.9Å; C421-F489 HydrophobicContact CB-CZ 3.66Å; V423-F489 HydrophobicContact CG1-CB 4.14Å; V423-F489 HydrophobicContact CG1-CD2 4.24Å; V423-F489 HydrophobicContact CG1-CG 4.14Å; V423-F489 HydrophobicContact CG2-CD1 3.71Å; V423-F489 HydrophobicContact CG2-CD2 3.91Å; V423-F489 HydrophobicContact CG2-CE1 3.71Å; V423-F489 HydrophobicContact CG2-CE2 3.91Å; V423-F489 HydrophobicContact CG2-CG 3.82Å; V423-F489 HydrophobicContact CG2-CZ 3.82Å; L485-F489 WeakPolarHBondContact O-CB 3.23Å; L485-F489 PolarHBondContact O-N 3.35Å; M486-F489 WeakPolarHBondContact O-CB 3.47Å; M486-F489 PolarHBondContact O-N 3.37Å; I487-F489 VanDerWaalsContact C-N 3.3Å; I487-F489 PolarHBondContact O-N 3.3Å; F489-N492 PolarHBondContact O-N 3.04Å; F489-M493 HydrophobicContact CD1-SD 3.88Å; F489-M493 HydrophobicContact CE1-SD 3.44Å; F489-M493 WeakPolarHBondContact CE1-SD 3.42Å; F489-M493 HydrophobicContact CZ-SD 4.15Å; F489-M493 PolarHBondContact O-N 2.82Å; F489-M493 VanDerWaalsContact O-N 3.14Å; F489-L812 HydrophobicContact CD2-CB 4.36Å; F489-L812 HydrophobicContact CD2-CD1 3.94Å; F489-L812 HydrophobicContact CE1-CD1 4.32Å; F489-L812 HydrophobicContact CE2-CB 4.27Å; F489-L812 HydrophobicContact CE2-CD1 3.45Å; F489-L812 VanDerWaalsContact CE2-CD1 3.45Å; F489-L812 HydrophobicContact CE2-CG 4.48Å; F489-L812 HydrophobicContact CZ-CD1 3.67Å; F489-L857 HydrophobicContact CB-CB 4.44Å; F489-L857 HydrophobicContact CD2-CB 3.97Å; F489-T860 HydrophobicContact CE1-CG2 4.14Å; F489-T860 HydrophobicContact CE2-CG2 4.49Å; F489-T860 HydrophobicContact CZ-CG2 3.58Å |
| 490 | F | 93.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.7 | -32.6 | 179.6 | -74.1 | -71.4 | 0 | 0 | 0 | 113.3 | L458 I462 M486 I487 N492 M493 A494 A709 Y712 I714 | L458-F490 HydrophobicContact CD2-CE2 4.16Å; L458-F490 HydrophobicContact CD2-CZ 3.91Å; I462-F490 HydrophobicContact CD1-CD2 3.83Å; I462-F490 HydrophobicContact CD1-CE2 3.5Å; I462-F490 VanDerWaalsContact CD1-CE2 3.5Å; I462-F490 HydrophobicContact CD1-CZ 4.24Å; M486-F490 WeakPolarHBondContact O-CD2 3.45Å; M486-F490 PolarHBondContact O-N 2.74Å; I487-F490 PolarHBondContact O-N 2.71Å; F490-N492 VanDerWaalsContact C-N 3.34Å; F490-M493 HydrophobicContact CD1-CE 4.25Å; F490-M493 HydrophobicContact CD1-SD 3.88Å; F490-M493 HydrophobicContact CE1-CE 4.26Å; F490-M493 HydrophobicContact CE1-SD 4.08Å; F490-M493 PolarHBondContact O-N 3.21Å; F490-A494 WeakPolarHBondContact O-CB 3.15Å; F490-A494 PolarHBondContact O-N 3.16Å; F490-A709 HydrophobicContact CD1-CB 4.24Å; F490-Y712 HydrophobicContact CD1-CD2 4.36Å; F490-Y712 AromaticContact CE1-CD2 3.43Å; F490-Y712 HydrophobicContact CE1-CD2 3.43Å; F490-Y712 VanDerWaalsContact CE1-CD2 3.43Å; F490-Y712 HydrophobicContact CE1-CE2 4.02Å; F490-Y712 AromaticContact CE1-CG 3.86Å; F490-Y712 HydrophobicContact CE1-CG 3.86Å; F490-Y712 HydrophobicContact CZ-CD1 4.28Å; F490-Y712 AromaticContact CZ-CD2 3.67Å; F490-Y712 HydrophobicContact CZ-CD2 3.67Å; F490-Y712 HydrophobicContact CZ-CE2 4.05Å; F490-Y712 AromaticContact CZ-CG 3.81Å; F490-Y712 HydrophobicContact CZ-CG 3.81Å; F490-I714 HydrophobicContact CB-CB 4.14Å; F490-I714 HydrophobicContact CB-CD1 3.58Å; F490-I714 HydrophobicContact CB-CG1 4.42Å; F490-I714 HydrophobicContact CB-CG2 4.16Å; F490-I714 HydrophobicContact CG-CD1 4.32Å |
| 491 | V | 93.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 170 | 167.5 | 0 | 0 | 0 | 0 | 111 | I487 A494 I495 I714 I726 M728 Y736 Y766 | I487-V491 HydrophobicContact CG2-CG2 4.14Å; I487-V491 WeakPolarHBondContact O-CB 3.47Å; I487-V491 VanDerWaalsContact O-CG2 3.31Å; I487-V491 WeakPolarHBondContact O-CG2 3.35Å; I487-V491 PolarHBondContact O-N 3.1Å; V491-A494 PolarHBondContact O-N 3.28Å; V491-I495 WeakPolarHBondContact O-CB 3.39Å; V491-I495 PolarHBondContact O-N 2.89Å; V491-I714 HydrophobicContact CG2-CG2 4.19Å; V491-I726 HydrophobicContact CB-CD1 4.37Å; V491-I726 HydrophobicContact CG1-CD1 3.96Å; V491-I726 HydrophobicContact CG2-CD1 4.24Å; V491-M728 HydrophobicContact CG2-CE 4.46Å; V491-Y736 HydrophobicContact CG1-CE1 4.41Å; V491-Y766 HydrophobicContact CG1-CE2 3.86Å; V491-Y766 WeakPolarHBondContact CG1-OH 3.18Å |
| 492 | N | 95 | Very high | 86.1 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 174.2 | -172.4 | -19.1 | 0 | 0 | 0 | 110.7 | H488 F489 F490 A494 I495 C496 Y766 C767 L812 A813 L857 | H488-N492 WeakPolarHBondContact O-CB 3.35Å; H488-N492 PolarHBondContact O-N 2.98Å; F489-N492 PolarHBondContact O-N 3.04Å; F490-N492 VanDerWaalsContact C-N 3.34Å; N492-A494 VanDerWaalsContact C-N 3.32Å; N492-A494 PolarHBondContact O-N 3.31Å; N492-I495 PolarHBondContact O-N 3.4Å; N492-C496 WeakPolarHBondContact O-CA 3.34Å; N492-C496 WeakPolarHBondContact O-CB 3.35Å; N492-C496 PolarHBondContact O-N 2.94Å; N492-C496 WeakPolarHBondContact OD1-CB 3.44Å; N492-Y766 HydrophobicContact CB-CD1 3.61Å; N492-Y766 HydrophobicContact CB-CE1 4.11Å; N492-Y766 HydrophobicContact CB-CG 4.11Å; N492-C767 PolarHBondContact ND2-O 2.86Å; N492-C767 VanDerWaalsContact ND2-O 3.12Å; N492-L812 HydrophobicContact CB-CD2 4.17Å; N492-L812 VanDerWaalsContact CG-CD2 3.44Å; N492-L812 WeakPolarHBondContact OD1-CD2 3.48Å; N492-A813 PolarHBondContact ND2-O 3.06Å; N492-L857 HydrophobicContact CB-CD1 4.02Å |
| 493 | M | 94.4 | Very high | 85.9 | Confident | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.015 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.2 | -43.1 | 173.6 | -70.5 | 169.6 | 58.4 | 0 | 0 | 112.9 | F418 F489 F490 N497 L705 A708 A709 L812 T860 | F418-M493 HydrophobicContact CD2-CE 4.1Å; F418-M493 HydrophobicContact CE2-CE 3.6Å; F418-M493 HydrophobicContact CE2-SD 4.44Å; F418-M493 HydrophobicContact CZ-CE 4.27Å; F489-M493 HydrophobicContact CD1-SD 3.88Å; F489-M493 HydrophobicContact CE1-SD 3.44Å; F489-M493 WeakPolarHBondContact CE1-SD 3.42Å; F489-M493 HydrophobicContact CZ-SD 4.15Å; F489-M493 PolarHBondContact O-N 2.82Å; F489-M493 VanDerWaalsContact O-N 3.14Å; F490-M493 HydrophobicContact CD1-CE 4.25Å; F490-M493 HydrophobicContact CD1-SD 3.88Å; F490-M493 HydrophobicContact CE1-CE 4.26Å; F490-M493 HydrophobicContact CE1-SD 4.08Å; F490-M493 PolarHBondContact O-N 3.21Å; M493-N497 PolarHBondContact O-ND2 3.22Å; M493-L705 HydrophobicContact CB-CB 4.48Å; M493-L705 HydrophobicContact CE-CB 4.31Å; M493-L705 HydrophobicContact CE-CD2 3.88Å; M493-L705 WeakPolarHBondContact CE-O 3.49Å; M493-L705 HydrophobicContact CG-CD2 4.38Å; M493-A708 HydrophobicContact CE-CB 3.78Å; M493-A709 HydrophobicContact CB-CB 4.21Å; M493-L812 HydrophobicContact CG-CD1 3.76Å; M493-L812 HydrophobicContact SD-CD1 4.29Å; M493-T860 HydrophobicContact CE-CG2 4.34Å; M493-T860 HydrophobicContact CG-CG2 4.45Å; M493-T860 HydrophobicContact SD-CG2 3.82Å |
| 494 | A | 92.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.6 | -26.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F490 V491 N492 N497 A709 I714 I726 | F490-A494 WeakPolarHBondContact O-CB 3.15Å; F490-A494 PolarHBondContact O-N 3.16Å; V491-A494 PolarHBondContact O-N 3.28Å; N492-A494 VanDerWaalsContact C-N 3.32Å; N492-A494 PolarHBondContact O-N 3.31Å; A494-N497 PolarHBondContact O-ND2 2.71Å; A494-A709 HydrophobicContact CB-CB 4.17Å; A494-I714 HydrophobicContact CB-CG2 4.49Å; A494-I726 HydrophobicContact CB-CD1 3.83Å; A494-I726 HydrophobicContact CB-CG1 4.4Å |
| 495 | I | 92 | Very high | 83.9 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -113.6 | -33.2 | -174.4 | -107.5 | 171.2 | 0 | 0 | 0 | 115 | V491 N492 N497 R719 A724 I726 Y736 V755 Y766 | V491-I495 WeakPolarHBondContact O-CB 3.39Å; V491-I495 PolarHBondContact O-N 2.89Å; N492-I495 PolarHBondContact O-N 3.4Å; I495-N497 PolarHBondContact O-N 2.66Å; I495-R719 PolarHBondContact O-NH2 3.34Å; I495-A724 HydrophobicContact CD1-CB 3.87Å; I495-A724 HydrophobicContact CG1-CB 3.77Å; I495-I726 HydrophobicContact CB-CD1 4.29Å; I495-I726 HydrophobicContact CD1-CD1 3.57Å; I495-I726 HydrophobicContact CD1-CG1 4.08Å; I495-I726 HydrophobicContact CG1-CD1 3.85Å; I495-I726 HydrophobicContact CG1-CG1 4.35Å; I495-Y736 VanDerWaalsContact CD1-CB 3.45Å; I495-Y736 HydrophobicContact CD1-CD1 4.1Å; I495-Y736 HydrophobicContact CD1-CD2 3.47Å; I495-Y736 VanDerWaalsContact CD1-CD2 3.47Å; I495-Y736 HydrophobicContact CD1-CE2 4.19Å; I495-Y736 HydrophobicContact CD1-CG 3.4Å; I495-Y736 VanDerWaalsContact CD1-CG 3.4Å; I495-V755 HydrophobicContact CG2-CG1 3.8Å; I495-Y766 HydrophobicContact CG2-CD2 4.09Å |
| 496 | C | 93.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -81.8 | 62.8 | -176.3 | -169.8 | 0 | 0 | 0 | 0 | 110.9 | N492 V753 K768 | N492-C496 WeakPolarHBondContact O-CA 3.34Å; N492-C496 WeakPolarHBondContact O-CB 3.35Å; N492-C496 PolarHBondContact O-N 2.94Å; N492-C496 WeakPolarHBondContact OD1-CB 3.44Å; C496-V753 HydrophobicContact CB-CG2 4.39Å; C496-K768 VanDerWaalsContact O-CD 3.29Å; C496-K768 WeakPolarHBondContact O-CD 3.49Å; C496-K768 WeakPolarHBondContact O-CE 3.45Å; C496-K768 PolarHBondContact O-NZ 2.9Å |
| 497 | N | 90.7 | Very high | 79.7 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -157.6 | 173.9 | -174.6 | 60.6 | 57.2 | 0 | 0 | 0 | 110.9 | M493 A494 I495 V499 E702 V706 R719 | M493-N497 PolarHBondContact O-ND2 3.22Å; A494-N497 PolarHBondContact O-ND2 2.71Å; I495-N497 PolarHBondContact O-N 2.66Å; N497-V499 HydrophobicContact CB-CG2 4.07Å; N497-V499 WeakPolarHBondContact OD1-CB 3.43Å; N497-V499 PolarHBondContact OD1-N 3.26Å; N497-V499 VanDerWaalsContact OD1-N 3.1Å; N497-E702 VanDerWaalsContact CA-OE1 3.28Å; N497-E702 WeakPolarHBondContact CA-OE1 3.39Å; N497-E702 HydrophobicContact CB-CB 4.35Å; N497-E702 HydrophobicContact CB-CG 4.46Å; N497-V706 WeakPolarHBondContact ND2-CG2 3.39Å; N497-R719 VanDerWaalsContact O-CZ 3.31Å; N497-R719 PolarHBondContact O-NH1 3.2Å; N497-R719 PolarHBondContact O-NH2 3.01Å; N497-R719 PolarHBondContact OD1-NH1 3.37Å |
| 498 | T | 83.2 | Confident | 77.3 | Confident | 42 Ų | 42 | 25 Ų | 25 | 26% | 0.258 | 15% | 0.148 | S | C | . | . | trans | -92.8 | -5.7 | 176.7 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | V500 E698 E702 M751 | T498-V500 PolarHBondContact O-N 3.43Å; T498-E698 HydrophobicContact CG2-CB 4.25Å; T498-E698 VanDerWaalsContact OG1-CB 3.31Å; T498-E698 WeakPolarHBondContact OG1-CB 3.44Å; T498-E698 PolarHBondContact OG1-N 2.97Å; T498-E698 VanDerWaalsContact OG1-N 3.16Å; T498-E702 WeakPolarHBondContact CB-OE2 3.4Å; T498-E702 PolarHBondContact N-OE2 2.86Å; T498-E702 PolarHBondContact OG1-OE2 2.87Å; T498-M751 HydrophobicContact CG2-CE 3.89Å | ||
| 499 | V | 85.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -52.9 | 129 | -164.8 | -179.2 | 0 | 0 | 0 | 0 | 113.9 | N497 Y695 E696 A697 E702 V706 L716 R719 | N497-V499 HydrophobicContact CB-CG2 4.07Å; N497-V499 WeakPolarHBondContact OD1-CB 3.43Å; N497-V499 PolarHBondContact OD1-N 3.26Å; N497-V499 VanDerWaalsContact OD1-N 3.1Å; V499-Y695 HydrophobicContact CG1-CD1 3.83Å; V499-Y695 HydrophobicContact CG1-CG 4.07Å; V499-E696 CarbonylContact C-O 3.56Å; V499-E696 WeakPolarHBondContact CA-O 3.3Å; V499-A697 HydrophobicContact CG2-CB 3.79Å; V499-E702 HydrophobicContact CG2-CB 4.22Å; V499-V706 HydrophobicContact CB-CG2 4.31Å; V499-V706 HydrophobicContact CG2-CG2 3.75Å; V499-L716 HydrophobicContact CB-CD2 4.41Å; V499-L716 HydrophobicContact CG1-CD2 4.41Å; V499-R719 VanDerWaalsContact N-NH1 3.18Å; V499-R719 WeakPolarHBondContact O-CD 3.38Å; V499-R719 PolarHBondContact O-NH1 2.92Å | ||
| 500 | V | 80.8 | Confident | 72.1 | Confident | 47 Ų | 47 | 33 Ų | 33 | 29% | 0.285 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 146 | 171.7 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | T498 E696 | T498-V500 PolarHBondContact O-N 3.43Å; V500-E696 HydrophobicContact CB-CB 4.38Å; V500-E696 PolarHBondContact N-O 2.88Å; V500-E696 PolarHBondContact O-N 2.84Å; V500-E696 VanDerWaalsContact O-N 3.08Å |
| 501 | V | 82.4 | Confident | 69.2 | Low | 10 Ų | 10 | 44.3 Ų | 44.3 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 111.6 | -176.1 | -167.5 | 0 | 0 | 0 | 0 | 109.9 | F690 P693 I694 Y695 L716 R719 | V501-F690 HydrophobicContact CG1-CD2 4.03Å; V501-F690 WeakPolarHBondContact O-CE2 3.23Å; V501-P693 HydrophobicContact CG1-CB 3.44Å; V501-P693 VanDerWaalsContact CG1-CB 3.44Å; V501-I694 WeakPolarHBondContact CA-O 3.43Å; V501-Y695 HydrophobicContact CG1-CD1 4.4Å; V501-Y695 HydrophobicContact CG1-CE1 4.1Å; V501-Y695 HydrophobicContact CG2-CD1 4.21Å; V501-Y695 HydrophobicContact CG2-CE1 4.12Å; V501-L716 HydrophobicContact CG2-CD2 3.73Å; V501-L716 HydrophobicContact CG2-CG 3.9Å; V501-R719 HydrophobicContact CG2-CB 4Å |
| 502 | N | 74.3 | Confident | 66.5 | Low | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 164.5 | -179.2 | -70.7 | -23.4 | 0 | 0 | 0 | 112 | I516 P693 I694 E696 | N502-I516 HydrophobicContact CB-CG2 3.78Å; N502-P693 CarbonylContact O-C 3.49Å; N502-P693 WeakPolarHBondContact O-CA 3.45Å; N502-I694 HydrophobicContact CB-CB 4.38Å; N502-I694 PolarHBondContact N-O 3.34Å; N502-I694 PolarHBondContact O-N 3.48Å; N502-E696 PolarHBondContact ND2-OE1 2.82Å; N502-E696 PolarHBondContact ND2-OE2 2.83Å |
| 503 | G | 62.9 | Low | 63.9 | Low | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 143 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | M517 | G503-M517 PolarHBondContact N-O 3.41Å; G503-M517 PolarHBondContact O-N 3.42Å; G503-M517 VanDerWaalsContact O-N 3.1Å |
| 504 | L | 54.9 | Low | 61.5 | Low | 64 Ų | 64 | 60.1 Ų | 60.1 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | trans | -89 | 136.1 | 166.7 | -118.5 | 148.6 | 0 | 0 | 0 | 109.9 | A526 I694 | L504-A526 WeakPolarHBondContact O-CB 3.37Å; L504-I694 HydrophobicContact CB-CD1 4.4Å; L504-I694 HydrophobicContact CD1-CD1 3.88Å; L504-I694 HydrophobicContact CD1-CG1 4.04Å; L504-I694 HydrophobicContact CG-CD1 3.92Å | ||
| 505 | P | 48.7 | Very low | 59.2 | Low | 43 Ų | 43 | 67.5 Ų | 67.5 | 28% | 0.279 | 39% | 0.387 | S | S | . | . | trans | -64.3 | 143.5 | 167.4 | -16.6 | 29.1 | 0 | 0 | 0 | 111.6 | G507 M517 | P505-G507 VanDerWaalsContact C-N 3.35Å; P505-G507 PolarHBondContact O-N 3.01Å; P505-G507 VanDerWaalsContact O-N 3.11Å; P505-M517 HydrophobicContact CB-CE 3.68Å; P505-M517 HydrophobicContact CG-CE 3.64Å; P505-M517 HydrophobicContact CG-CG 4.42Å | ||
| 506 | E | 41.4 | Very low | 57.3 | Low | 116 Ų | 116 | 69.7 Ų | 69.7 | 54% | 0.542 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -82 | 81.5 | 167.2 | -73.4 | -173.1 | 153.4 | 0 | 0 | 110 | A525 K691 | E506-A525 HydrophobicContact CB-CB 4.4Å; E506-A525 VanDerWaalsContact OE2-O 3.06Å; E506-K691 VanDerWaalsContact OE1-CD 3.22Å; E506-K691 WeakPolarHBondContact OE1-CD 3.43Å; E506-K691 IonicContact OE1-NZ 3.81Å; E506-K691 PolarHBondContact OE1-NZ 2.8Å; E506-K691 IonicContact OE2-NZ 3.9Å; E506-K691 PolarHBondContact OE2-NZ 3.17Å |
| 507 | G | 40.7 | Very low | 55.2 | Low | 55 Ų | 55 | 71 Ų | 71 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 168.2 | 143.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P505 | P505-G507 VanDerWaalsContact C-N 3.35Å; P505-G507 PolarHBondContact O-N 3.01Å; P505-G507 VanDerWaalsContact O-N 3.11Å |
| 508 | D | 37 | Very low | 53.4 | Low | 124 Ų | 124 | 73.9 Ų | 73.9 | 66% | 0.663 | 42% | 0.415 | S | S | * | . | trans | 51 | 57.6 | 175.4 | -83.1 | 3.3 | 0 | 0 | 0 | 117.2 | G510 R511 | D508-G510 PolarHBondContact O-N 2.93Å; D508-R511 PolarHBondContact O-N 3.44Å | ||
| 509 | A | 40.8 | Very low | 51.9 | Low | 113 Ų | 113 | 74.1 Ų | 74.1 | 93% | 0.934 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -8.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 510 | G | 37.8 | Very low | 50.2 | Low | 67 Ų | 67 | 80.3 Ų | 80.3 | 69% | 0.691 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -23.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | D508 | D508-G510 PolarHBondContact O-N 2.93Š|
| 511 | R | 31.8 | Very low | 48.7 | Very low | 236 Ų | 236 | 88.3 Ų | 88.3 | 89% | 0.891 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.9 | 2.6 | -164.4 | -83 | -166.3 | 175.1 | 172.8 | -0.4 | 119.8 | D508 | D508-R511 PolarHBondContact O-N 3.44Š|
| 512 | S | 35.7 | Very low | 47.3 | Very low | 67 Ų | 67 | 89 Ų | 89 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | trans | -136.8 | 66.3 | 177.7 | 62.3 | 0 | 0 | 0 | 0 | 115.7 | D514 | S512-D514 PolarHBondContact O-N 2.68Š| ||
| 513 | L | 40.2 | Very low | 46.5 | Very low | 113 Ų | 113 | 93.7 Ų | 93.7 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 3.3 | 178.2 | -88.9 | 140.5 | 0 | 0 | 0 | 116 | R446 | R446-L513 PolarHBondContact NH1-O 3.5Š|
| 514 | D | 43.7 | Very low | 46.3 | Very low | 156 Ų | 156 | 102.7 Ų | 102.7 | 83% | 0.834 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 3.8 | -174.8 | -63.8 | -13.6 | 0 | 0 | 0 | 113.9 | S512 | S512-D514 PolarHBondContact O-N 2.68Š|
| 515 | K | 45.4 | Very low | 46.5 | Very low | 155 Ų | 155 | 102 Ų | 102 | 67% | 0.674 | 55% | 0.546 | S | S | * | . | trans | -130 | 67.9 | -175.7 | -68.1 | -176.8 | -178.9 | 174.5 | 0 | 113.4 | M517 | K515-M517 PolarHBondContact O-N 3.27Š| ||
| 516 | I | 51.2 | Low | 47.1 | Very low | 46 Ų | 46 | 100.2 Ų | 100.2 | 24% | 0.236 | 53% | 0.534 | C | S | . | . | trans | -66.1 | 122.8 | 161.4 | -60.2 | 175.2 | 0 | 0 | 0 | 107.7 | N502 | N502-I516 HydrophobicContact CB-CG2 3.78Š| ||
| 517 | M | 51 | Low | 48.5 | Very low | 27 Ų | 27 | 95.7 Ų | 95.7 | 13% | 0.133 | 52% | 0.515 | C | S | . | . | B | Isolated β-bridge | trans | -95 | 114.8 | -178.3 | -80.4 | -152.8 | -98.2 | 0 | 0 | 112.2 | G503 P505 K515 R521 D523 | G503-M517 PolarHBondContact N-O 3.41Å; G503-M517 PolarHBondContact O-N 3.42Å; G503-M517 VanDerWaalsContact O-N 3.1Å; P505-M517 HydrophobicContact CB-CE 3.68Å; P505-M517 HydrophobicContact CG-CE 3.64Å; P505-M517 HydrophobicContact CG-CG 4.42Å; K515-M517 PolarHBondContact O-N 3.27Å; M517-R521 VanDerWaalsContact SD-O 3.37Å; M517-D523 HydrophobicContact CE-CB 4.01Å; M517-D523 WeakPolarHBondContact CE-OD2 3.45Å |
| 518 | R | 52.9 | Low | 50.4 | Low | 63 Ų | 63 | 95.2 Ų | 95.2 | 24% | 0.238 | 50% | 0.498 | C | S | . | . | trans | -76.7 | 152.1 | 165.7 | -70.9 | -177.4 | 165.4 | -158.1 | -23 | 110.9 | N250 D252 D520 R521 A522 | N250-R518 PolarHBondContact O-NH2 3.19Å; D252-R518 WeakPolarHBondContact OD1-CD 3.4Å; D252-R518 IonicContact OD1-NE 3.87Å; D252-R518 IonicContact OD1-NH1 3.36Å; D252-R518 WeakPolarHBondContact OD2-CD 3.33Å; D252-R518 IonicContact OD2-CZ 3.62Å; D252-R518 IonicContact OD2-NE 2.8Å; D252-R518 IonicContact OD2-NH1 3.72Å; D252-R518 PolarHBondContact OD2-NH1 2.87Å; R518-D520 PolarHBondContact O-N 2.94Å; R518-D520 VanDerWaalsContact O-N 3.1Å; R518-R521 PolarHBondContact O-N 3.05Å; R518-A522 PolarHBondContact O-N 3.17Å | ||
| 519 | H | 50.9 | Low | 52.5 | Low | 48 Ų | 48 | 94.6 Ų | 94.6 | 22% | 0.222 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -60.6 | -29.4 | -167.2 | -149.8 | -38.2 | 0 | 0 | 0 | 114.4 | R521 A522 F690 K718 | H519-R521 PolarHBondContact O-N 2.79Å; H519-R521 VanDerWaalsContact O-N 3.17Å; H519-A522 PolarHBondContact O-N 2.85Å; H519-F690 HydrophobicContact CB-CZ 3.98Å; H519-F690 AromaticContact CD2-CE2 3.78Å; H519-F690 AromaticContact CD2-CZ 3.71Å; H519-F690 AromaticContact CG-CZ 3.92Å; H519-K718 PolarHBondContact CD2-NZ 3.16Å; H519-K718 PolarHBondContact CE1-NZ 3.08Å; H519-K718 WeakPolarHBondContact NE2-CE 3.01Å; H519-K718 PolarHBondContact NE2-NZ 3.15Å |
| 520 | D | 49.8 | Very low | 54.4 | Low | 129 Ų | 129 | 89.5 Ų | 89.5 | 69% | 0.69 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -65.5 | -10.5 | 175.8 | -67.3 | 24.6 | 0 | 0 | 0 | 113.7 | R518 H720 | R518-D520 PolarHBondContact O-N 2.94Å; R518-D520 VanDerWaalsContact O-N 3.1Å; D520-H720 IonicContact OD1-CE1 2.68Å |
| 521 | R | 50 | Low | 56.4 | Low | 216 Ų | 216 | 88.7 Ų | 88.7 | 82% | 0.815 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -132.4 | 7 | 176.7 | -68.2 | -175.4 | 176 | 173 | -0.8 | 113.9 | M517 R518 H519 D523 | M517-R521 VanDerWaalsContact SD-O 3.37Å; R518-R521 PolarHBondContact O-N 3.05Å; H519-R521 PolarHBondContact O-N 2.79Å; H519-R521 VanDerWaalsContact O-N 3.17Å; R521-D523 PolarHBondContact O-N 3.12Å |
| 522 | A | 52.3 | Low | 58.4 | Low | 24 Ų | 24 | 78.8 Ų | 78.8 | 20% | 0.198 | 40% | 0.4 | C | S | . | . | trans | -68.5 | 123.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R518 H519 T527 F690 | R518-A522 PolarHBondContact O-N 3.17Å; H519-A522 PolarHBondContact O-N 2.85Å; A522-T527 HydrophobicContact CB-CG2 4.4Å; A522-F690 HydrophobicContact CB-CE1 3.88Å; A522-F690 HydrophobicContact CB-CZ 4.49Å | ||
| 523 | D | 56.7 | Low | 60.1 | Low | 104 Ų | 104 | 76 Ų | 76 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | trans | -62.5 | 144.5 | 172.4 | -81.1 | -50.2 | 0 | 0 | 0 | 111.9 | M517 R521 A525 A526 | M517-D523 HydrophobicContact CE-CB 4.01Å; M517-D523 WeakPolarHBondContact CE-OD2 3.45Å; R521-D523 PolarHBondContact O-N 3.12Å; D523-A525 PolarHBondContact O-N 2.65Å; D523-A526 PolarHBondContact O-N 2.71Å | ||
| 524 | K | 59.7 | Low | 60.9 | Low | 191 Ų | 191 | 76.2 Ų | 76.2 | 83% | 0.83 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -55.1 | -24.1 | -178.8 | -71.1 | -177.5 | 176.8 | 178 | 0 | 114.3 | T527 | K524-T527 PolarHBondContact O-OG1 2.75Š|
| 525 | A | 59 | Low | 61.5 | Low | 50 Ų | 50 | 77.1 Ų | 77.1 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -68 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E506 D523 T527 K691 | E506-A525 HydrophobicContact CB-CB 4.4Å; E506-A525 VanDerWaalsContact OE2-O 3.06Å; D523-A525 PolarHBondContact O-N 2.65Å; A525-T527 PolarHBondContact O-N 2.8Å; A525-K691 WeakPolarHBondContact O-CD 3.45Å; A525-K691 VanDerWaalsContact O-CE 3.29Å; A525-K691 WeakPolarHBondContact O-CE 3.24Å; A525-K691 PolarHBondContact O-NZ 2.77Å |
| 526 | A | 60.9 | Low | 61.8 | Low | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -75.2 | -10.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L504 D523 K691 | L504-A526 WeakPolarHBondContact O-CB 3.37Å; D523-A526 PolarHBondContact O-N 2.71Å; A526-K691 PolarHBondContact O-N 3.03Å |
| 527 | T | 70.6 | Confident | 61.7 | Low | 22 Ų | 22 | 70.9 Ų | 70.9 | 14% | 0.135 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.7 | -174.4 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | A522 K524 A525 S688 C689 F690 | A522-T527 HydrophobicContact CB-CG2 4.4Å; K524-T527 PolarHBondContact O-OG1 2.75Å; A525-T527 PolarHBondContact O-N 2.8Å; T527-S688 WeakPolarHBondContact CB-OG 3.32Å; T527-C689 CarbonylContact C-O 3.33Å; T527-C689 WeakPolarHBondContact CA-O 3.31Å; T527-C689 WeakPolarHBondContact CB-O 3.44Å; T527-F690 HydrophobicContact CG2-CD1 4.11Å; T527-F690 HydrophobicContact CG2-CE1 4.32Å |
| 528 | E | 80.9 | Confident | 61.7 | Low | 45 Ų | 45 | 72.3 Ų | 72.3 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 153.3 | 165.4 | 58.6 | 173.4 | -151.1 | 0 | 0 | 111 | L530 S688 C689 K691 R731 | E528-L530 HydrophobicContact CG-CG 4.32Å; E528-L530 WeakPolarHBondContact OE1-CD2 3.37Å; E528-S688 WeakPolarHBondContact O-CA 3.47Å; E528-C689 PolarHBondContact N-O 2.65Å; E528-C689 PolarHBondContact O-N 3.26Å; E528-K691 HydrophobicContact CB-CG 4.06Å; E528-K691 HydrophobicContact CG-CG 4.1Å; E528-R731 IonicContact OE1-CZ 3.74Å; E528-R731 IonicContact OE1-NH2 2.63Å; E528-R731 PolarHBondContact OE1-NH2 3.03Å; E528-R731 IonicContact OE2-NH2 3.97Å; E528-R731 PolarHBondContact OE2-NH2 3.35Å |
| 529 | N | 81.6 | Confident | 61.2 | Low | 111 Ų | 111 | 75.3 Ų | 75.3 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 109.1 | 176.7 | -72.1 | -36.9 | 0 | 0 | 0 | 109.2 | V687 S688 | N529-V687 WeakPolarHBondContact CA-O 2.83Å; N529-S688 WeakPolarHBondContact OD1-CA 3.43Å; N529-S688 WeakPolarHBondContact OD1-CB 3.23Å |
| 530 | L | 80.3 | Confident | 60.1 | Low | 6 Ų | 6 | 81.1 Ų | 81.1 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 147.1 | -179.6 | -70.2 | 171.9 | 0 | 0 | 0 | 111.6 | E528 T686 V687 C689 Q727 R731 V733 | E528-L530 HydrophobicContact CG-CG 4.32Å; E528-L530 WeakPolarHBondContact OE1-CD2 3.37Å; L530-T686 CarbonylContact O-C 3.5Å; L530-T686 WeakPolarHBondContact O-CA 3.48Å; L530-T686 WeakPolarHBondContact O-CB 3.31Å; L530-V687 PolarHBondContact N-O 3.3Å; L530-V687 PolarHBondContact O-N 3.1Å; L530-C689 HydrophobicContact CD1-CB 4.23Å; L530-Q727 HydrophobicContact CD1-CB 4.29Å; L530-Q727 HydrophobicContact CD1-CG 4.09Å; L530-R731 HydrophobicContact CD2-CB 4.32Å; L530-V733 HydrophobicContact CB-CG2 3.56Å; L530-V733 HydrophobicContact CD1-CG2 3.72Å; L530-V733 HydrophobicContact CG-CG2 4.29Å |
| 531 | P | 78.9 | Confident | 59 | Low | 49 Ų | 49 | 79.5 Ų | 79.5 | 32% | 0.318 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 138 | 177.4 | 30.1 | -33.8 | 0 | 0 | 0 | 111.5 | V733 | P531-V733 PolarHBondContact O-N 2.82Å |
| 532 | V | 74.4 | Confident | 57.9 | Low | 29 Ų | 29 | 79.8 Ų | 79.8 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -87.2 | 133.8 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | K685 V687 V733 | V532-K685 HydrophobicContact CB-CB 4.41Å; V532-K685 WeakPolarHBondContact CB-O 3.41Å; V532-K685 WeakPolarHBondContact CG2-O 3.45Å; V532-K685 PolarHBondContact N-O 2.93Å; V532-V687 HydrophobicContact CG2-CB 4.2Å; V532-V687 HydrophobicContact CG2-CG2 3.46Å; V532-V687 VanDerWaalsContact CG2-CG2 3.46Å; V532-V733 WeakPolarHBondContact CA-O 3.35Å |
| 533 | A | 70.6 | Confident | 56.6 | Low | 7 Ų | 7 | 84.6 Ų | 84.6 | 6% | 0.058 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 143.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V733 Y734 P759 | A533-V733 PolarHBondContact N-O 3.02Å; A533-Y734 HydrophobicContact CB-CD1 3.99Å; A533-Y734 HydrophobicContact CB-CD2 3.98Å; A533-Y734 HydrophobicContact CB-CE1 3.65Å; A533-Y734 HydrophobicContact CB-CE2 3.63Å; A533-Y734 HydrophobicContact CB-CG 4.15Å; A533-Y734 VanDerWaalsContact CB-CZ 3.46Å; A533-P759 WeakPolarHBondContact O-CD 3.35Å |
| 534 | V | 57.7 | Low | 55.2 | Low | 119 Ų | 119 | 87.4 Ų | 87.4 | 72% | 0.721 | 45% | 0.454 | S | S | * | . | trans | -114.5 | -18.7 | -173.5 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 535 | K | 55.7 | Low | 53.6 | Low | 175 Ų | 175 | 85.9 Ų | 85.9 | 76% | 0.761 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -135.6 | 164.4 | 169.8 | -71.8 | -175 | 175.4 | -177.3 | 0 | 109.6 | ||
| 536 | N | 53.2 | Low | 52.1 | Low | 26 Ų | 26 | 91.6 Ų | 91.6 | 14% | 0.139 | 47% | 0.473 | C | S | . | . | trans | -79.8 | 135.1 | 161.3 | -71.4 | -23.6 | 0 | 0 | 0 | 108.9 | E539 Q757 P759 | N536-E539 HydrophobicContact CB-CG 4.46Å; N536-E539 WeakPolarHBondContact CB-OE2 3.44Å; N536-E539 PolarHBondContact ND2-OE2 3.35Å; N536-Q757 PolarHBondContact OD1-NE2 2.67Å; N536-P759 PolarHBondContact OD1-O 3.39Å | ||
| 537 | A | 48.2 | Very low | 50.4 | Low | 44 Ų | 44 | 97 Ų | 97 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -81.5 | -22 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 538 | W | 52.4 | Low | 48.5 | Very low | 57 Ų | 57 | 103.4 Ų | 103.4 | 22% | 0.216 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -87.2 | -18.8 | -161 | -26.1 | 106.8 | 0 | 0 | 0 | 115.1 | F466 I487 K540 M728 Y734 | F466-W538 AromaticContact CD1-CH2 3.91Å; F466-W538 HydrophobicContact CD1-CH2 3.91Å; F466-W538 AromaticContact CE1-CH2 3.34Å; F466-W538 HydrophobicContact CE1-CH2 3.34Å; F466-W538 AromaticContact CE1-CZ2 3.92Å; F466-W538 HydrophobicContact CE1-CZ2 3.92Å; F466-W538 HydrophobicContact CE1-CZ3 4.33Å; F466-W538 HydrophobicContact CE2-CH2 4.19Å; F466-W538 HydrophobicContact CE2-CZ3 4.49Å; F466-W538 AromaticContact CZ-CH2 3.51Å; F466-W538 HydrophobicContact CZ-CH2 3.51Å; F466-W538 HydrophobicContact CZ-CZ2 4.12Å; F466-W538 HydrophobicContact CZ-CZ3 4.21Å; I487-W538 HydrophobicContact CD1-CD2 4.25Å; I487-W538 HydrophobicContact CD1-CE3 3.76Å; I487-W538 HydrophobicContact CD1-CH2 4.05Å; I487-W538 HydrophobicContact CD1-CZ2 4.46Å; I487-W538 HydrophobicContact CD1-CZ3 3.65Å; W538-K540 PolarHBondContact O-N 3.18Å; W538-M728 HydrophobicContact CZ2-CE 4.43Å; W538-Y734 HydrophobicContact CZ2-CE2 4.5Å |
| 539 | E | 40.5 | Very low | 45.9 | Very low | 126 Ų | 126 | 107.5 Ų | 107.5 | 59% | 0.589 | 57% | 0.568 | S | S | * | * | trans | -76.7 | 21 | -170.9 | -72.3 | 171.6 | 129.3 | 0 | 0 | 114.2 | N536 Q762 | N536-E539 HydrophobicContact CB-CG 4.46Å; N536-E539 WeakPolarHBondContact CB-OE2 3.44Å; N536-E539 PolarHBondContact ND2-OE2 3.35Å; E539-Q762 PolarHBondContact OE1-NE2 3.48Å | ||
| 540 | K | 29.7 | Very low | 43.4 | Very low | 170 Ų | 170 | 107.1 Ų | 107.1 | 74% | 0.739 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -100.1 | 25.7 | -174.6 | -122.8 | -168.4 | -179.1 | -168.5 | 0 | 114.3 | E472 W538 | E472-K540 IonicContact OE1-NZ 3.5Å; E472-K540 PolarHBondContact OE1-NZ 3.04Å; W538-K540 PolarHBondContact O-N 3.18Å |
| 541 | S | 26.5 | Very low | 41.1 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -162.2 | 92.3 | 171.8 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 542 | Y | 26.8 | Very low | 38.5 | Very low | 223 Ų | 223 | 114.4 Ų | 114.4 | 88% | 0.875 | 64% | 0.637 | S | S | * | * | trans | -179.7 | 77.1 | 145.3 | -101.3 | -62.8 | 0 | 0 | 0 | 110.7 | ||||
| 543 | S | 24 | Very low | 36.4 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 87% | 0.867 | 67% | 0.672 | S | S | * | * | trans | -121.4 | 71.8 | 160.5 | 60.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 544 | M | 27.8 | Very low | 34.2 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | trans | -97 | 136 | 177.6 | -165.7 | 165.9 | -176.4 | 0 | 0 | 108.4 | ||||
| 545 | E | 26.5 | Very low | 32.8 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -76.8 | 123.6 | -166.6 | -60.5 | 156.5 | 121.1 | 0 | 0 | 111.6 | T547 | E545-T547 HydrophobicContact CB-CG2 4Å; E545-T547 PolarHBondContact O-N 3.25Å; E545-T547 PolarHBondContact O-OG1 3.03Å | ||
| 546 | D | 28 | Very low | 31.6 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 91% | 0.909 | 70% | 0.704 | S | S | * | * | trans | -67.8 | 81.3 | 164.8 | -77.6 | -36.3 | 0 | 0 | 0 | 109.1 | D548 | D546-D548 VanDerWaalsContact C-N 3.26Å; D546-D548 PolarHBondContact O-N 3.11Å | ||
| 547 | T | 24.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | -91.2 | 51 | 178.6 | 33.3 | 0 | 0 | 0 | 0 | 111.2 | E545 | E545-T547 HydrophobicContact CB-CG2 4Å; E545-T547 PolarHBondContact O-N 3.25Å; E545-T547 PolarHBondContact O-OG1 3.03Å | ||
| 548 | D | 29.9 | Very low | 29.3 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -89.2 | 133.8 | 172 | -109.6 | -30.7 | 0 | 0 | 0 | 111.2 | D546 A550 | D546-D548 VanDerWaalsContact C-N 3.26Å; D546-D548 PolarHBondContact O-N 3.11Å; D548-A550 PolarHBondContact O-N 2.84Å | ||
| 549 | T | 26.6 | Very low | 27.9 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -84.1 | 116.2 | -167.4 | 45.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 550 | A | 29.4 | Very low | 27.3 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -118.1 | 96.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | D548 | D548-A550 PolarHBondContact O-N 2.84Š| ||
| 551 | V | 30.5 | Very low | 27.2 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -88.2 | 115.3 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 552 | G | 25.7 | Very low | 27.3 | Very low | 64 Ų | 64 | 138.5 Ų | 138.5 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | trans | 57.4 | 116.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 553 | I | 30.1 | Very low | 27.4 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | -160.4 | 149.9 | 105.2 | -94.7 | 152 | 0 | 0 | 0 | 108.1 | |||||
| 554 | S | 23.7 | Very low | 27.6 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -132.9 | 117 | -175.1 | 157.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 555 | E | 29.7 | Very low | 27.6 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -158.7 | 146 | 164 | -92.8 | -178.5 | -168 | 0 | 0 | 108.3 | ||||
| 556 | T | 28.7 | Very low | 27.6 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | cis | -165.7 | 146.5 | -33 | 6.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 557 | I | 26.3 | Very low | 27.3 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 47.1 | 114 | 143.3 | -57.1 | 160.3 | 0 | 0 | 0 | 119.2 | ||||
| 558 | S | 28.4 | Very low | 27.4 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | -179.5 | 148.8 | 107.9 | 38.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 559 | C | 22.7 | Very low | 27.1 | Very low | 123 Ų | 123 | 128 Ų | 128 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -140.5 | 139.9 | -178.7 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 560 | S | 28.1 | Very low | 27 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -172.1 | 135.1 | 149.5 | 39.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 561 | L | 26.4 | Very low | 27 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | cis | 88.5 | 149.7 | 30.4 | -70.8 | 172.3 | 0 | 0 | 0 | 115.7 | ||||
| 562 | T | 28.8 | Very low | 26.7 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 84.2 | 135.3 | -165.1 | 71.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 563 | D | 29 | Very low | 26.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -165.3 | 162.1 | -10.5 | -95.5 | -22.8 | 0 | 0 | 0 | 108.5 | ||||
| 564 | S | 29.2 | Very low | 26.5 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | cis | -162.8 | 157.9 | -13.8 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 565 | D | 26.3 | Very low | 26.5 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 5.8 | 153.9 | 130.6 | -54.2 | -14.6 | 0 | 0 | 0 | 120.2 | ||||
| 566 | E | 26.4 | Very low | 26.3 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -166.7 | 160.6 | -5.3 | -122 | -159.2 | 171.1 | 0 | 0 | 114.1 | ||||
| 567 | N | 23.7 | Very low | 26 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | 60.4 | 139.6 | 140.8 | -86.7 | -35.1 | 0 | 0 | 0 | 128.9 | ||||
| 568 | V | 26.9 | Very low | 25.9 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | 92.2 | 93.8 | 137.1 | 170.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 569 | S | 23.3 | Very low | 26.1 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 76.1 | 165.5 | 125.2 | 91.6 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 570 | E | 23.9 | Very low | 26.2 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 56.8 | 104.9 | 175.3 | -67.7 | -148.2 | 158.4 | 0 | 0 | 122.3 | ||||
| 571 | K | 28.9 | Very low | 26 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | -172.1 | 171.4 | 100.7 | -104.1 | 155 | -169.3 | 161.5 | 0 | 115 | |||||
| 572 | N | 24.6 | Very low | 25.9 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -106.5 | 152 | -162 | -84.2 | -58.5 | 0 | 0 | 0 | 115.9 | ||||
| 573 | A | 24 | Very low | 25.7 | Very low | 94 Ų | 94 | 154.2 Ų | 154.2 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | 80.1 | 166.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 574 | V | 27.5 | Very low | 25.5 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 86.1 | 73.3 | 167.2 | -159.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 575 | F | 23.7 | Very low | 25.3 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | 43.7 | 116.5 | 118.3 | -85.1 | -78.4 | 0 | 0 | 0 | 120.8 | |||||
| 576 | R | 26.1 | Very low | 25.3 | Very low | 238 Ų | 238 | 159.4 Ų | 159.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | -176.4 | 134 | 90.8 | -107.8 | 161.5 | -170.3 | 171.3 | 5 | 114.6 | |||||
| 577 | A | 23 | Very low | 25.3 | Very low | 88 Ų | 88 | 156.3 Ų | 156.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -113.5 | 154.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 578 | W | 22.5 | Very low | 25.5 | Very low | 243 Ų | 243 | 157.3 Ų | 157.3 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -178.8 | 167.1 | 165.9 | -106 | 28.6 | 0 | 0 | 0 | 107.9 | ||||
| 579 | P | 32.9 | Very low | 25.5 | Very low | 110 Ų | 110 | 160.2 Ų | 160.2 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | cis | -126.7 | 167.5 | 20.2 | 41.4 | -27.4 | 0 | 0 | 0 | 116.4 | ||||
| 580 | Y | 24.9 | Very low | 25.6 | Very low | 213 Ų | 213 | 165.6 Ų | 165.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -109.9 | -172.9 | 158.5 | -109.1 | -91.9 | 0 | 0 | 0 | 110.9 | ||||
| 581 | Q | 24.4 | Very low | 25.9 | Very low | 175 Ų | 175 | 165.6 Ų | 165.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -74.5 | 162.4 | -156.6 | -66 | 164.2 | -55.9 | 0 | 0 | 116.9 | ||||
| 582 | W | 24.7 | Very low | 25.8 | Very low | 215 Ų | 215 | 159.9 Ų | 159.9 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -45.8 | 157.4 | 156.2 | -77.5 | 18.3 | 0 | 0 | 0 | 112.9 | ||||
| 583 | K | 24.3 | Very low | 26 | Very low | 140 Ų | 140 | 159.9 Ų | 159.9 | 61% | 0.609 | 78% | 0.781 | S | S | * | * | cis | -166.1 | 158.3 | -2.2 | -118.7 | 176.1 | -176.5 | 169 | 0 | 107.9 | ||||
| 584 | N | 24.4 | Very low | 26.3 | Very low | 147 Ų | 147 | 162 Ų | 162 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | 172 | 139 | 119 | -88.6 | -22.6 | 0 | 0 | 0 | 112.5 | |||||
| 585 | F | 25.7 | Very low | 26.2 | Very low | 204 Ų | 204 | 166 Ų | 166 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -139.2 | 147.3 | 156.8 | -152.9 | -90 | 0 | 0 | 0 | 106.9 | ||||
| 586 | L | 26.8 | Very low | 26.4 | Very low | 143 Ų | 143 | 166.1 Ų | 166.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -140.1 | 142.5 | -162.3 | -134.5 | 172.3 | 0 | 0 | 0 | 111.9 | ||||
| 587 | S | 25.6 | Very low | 26.3 | Very low | 93 Ų | 93 | 159.2 Ų | 159.2 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | 74.8 | 153.8 | 176.9 | 87.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 588 | M | 27.7 | Very low | 26.6 | Very low | 146 Ų | 146 | 163.4 Ų | 163.4 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | cis | -154.7 | 157.7 | 11.3 | -150.6 | -167.6 | -65.7 | 0 | 0 | 113.1 | ||||
| 589 | K | 27.4 | Very low | 26.7 | Very low | 178 Ų | 178 | 160 Ų | 160 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | 72.2 | 147.9 | 163.3 | -64.9 | 173.5 | -173.8 | 173.1 | 0 | 117.6 | ||||
| 590 | R | 24.9 | Very low | 26.3 | Very low | 221 Ų | 221 | 163.8 Ų | 163.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | cis | -171.5 | 167.5 | -27.8 | -139.5 | 179.2 | -167.6 | -174.8 | 4 | 109.5 | ||||
| 591 | I | 29.7 | Very low | 26.2 | Very low | 160 Ų | 160 | 162.8 Ų | 162.8 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | 74.2 | 141.2 | 162.7 | -62.5 | 160.9 | 0 | 0 | 0 | 115.6 | ||||
| 592 | A | 27.1 | Very low | 26.1 | Very low | 79 Ų | 79 | 159.5 Ų | 159.5 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | cis | -166.3 | -172.3 | -22.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 593 | L | 29 | Very low | 26.6 | Very low | 158 Ų | 158 | 154 Ų | 154 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | 79 | 121.9 | -175.5 | -63.1 | 125.8 | 0 | 0 | 0 | 115 | ||||
| 594 | L | 29.6 | Very low | 26.6 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | cis | 101 | 135.6 | 33.3 | -74.7 | 165.6 | 0 | 0 | 0 | 111.7 | ||||
| 595 | R | 26.7 | Very low | 26.6 | Very low | 210 Ų | 210 | 154.3 Ų | 154.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | cis | -168.6 | 161.7 | -10.5 | -154.1 | -175.6 | -160 | 157.9 | -0.5 | 110.9 | ||||
| 596 | K | 27 | Very low | 26.5 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | 69.7 | 144.3 | 169.3 | -56.7 | -179.4 | 176.5 | -178.2 | 0 | 116.1 | ||||
| 597 | A | 24.4 | Very low | 26.3 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | cis | 117.3 | 124.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 598 | I | 28.3 | Very low | 26.2 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | trans | -172.1 | 170 | 147 | -100.3 | 157.9 | 0 | 0 | 0 | 110.6 | ||||
| 599 | H | 26.3 | Very low | 26 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -78.8 | 161.7 | -165.5 | -78.5 | 5 | 0 | 0 | 0 | 116.2 | ||||
| 600 | Y | 24.6 | Very low | 25.9 | Very low | 191 Ų | 191 | 148 Ų | 148 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | cis | 74 | 141 | 48.7 | -124.7 | -99.5 | 0 | 0 | 0 | 113 | ||||
| 601 | R | 22.3 | Very low | 25.9 | Very low | 191 Ų | 191 | 142 Ų | 142 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -175.4 | 121.5 | -27.3 | 172.6 | 175.7 | 179.1 | -164.5 | -1.8 | 111.4 | ||||
| 602 | S | 20.6 | Very low | 25.7 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 70 | -172.7 | 152.3 | -129.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 603 | P | 37.2 | Very low | 25.7 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | -138 | 175.2 | -119.6 | 39.7 | -17.2 | 0 | 0 | 0 | 118.5 | |||||
| 604 | N | 23.2 | Very low | 25.6 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | 171.1 | 153.9 | 116.7 | -106.2 | 23.5 | 0 | 0 | 0 | 115.8 | |||||
| 605 | E | 23.9 | Very low | 25.5 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | 68.4 | 153.7 | 144.3 | -75.6 | 168.1 | -141.4 | 0 | 0 | 126.1 | ||||
| 606 | S | 23.4 | Very low | 25.4 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 57.1 | 87.9 | 159.8 | 49.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 607 | S | 23.5 | Very low | 25.4 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | 58 | 139.1 | 111.3 | 67 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 608 | Q | 23.6 | Very low | 25.5 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | 72.2 | 146.6 | 158.9 | -68.2 | 174.8 | 3.4 | 0 | 0 | 117.2 | ||||
| 609 | S | 23.9 | Very low | 25.2 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | cis | -166.4 | 150.1 | -14 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 610 | N | 24.1 | Very low | 25.2 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 65.1 | 153.8 | 157.9 | -64.2 | -11.7 | 0 | 0 | 0 | 117.6 | ||||
| 611 | S | 25.2 | Very low | 25.2 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | cis | -165.1 | 169.7 | -14.7 | 46.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 612 | S | 25.9 | Very low | 25.4 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 67.3 | 142 | 161.5 | 33.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 613 | E | 27.4 | Very low | 25.5 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | -153.4 | 159.1 | 0.8 | -125.7 | -175.5 | 168.2 | 0 | 0 | 115.2 | ||||
| 614 | K | 26 | Very low | 24.9 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 6.5 | 148.4 | 156.5 | -60.7 | 154.9 | -172.6 | 164.8 | 0 | 119.7 | ||||
| 615 | Q | 27.3 | Very low | 25.1 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | cis | -149.6 | 125.4 | 45.5 | -84.2 | -173.9 | -2.9 | 0 | 0 | 111.2 | ||||
| 616 | T | 24.8 | Very low | 25.1 | Very low | 102 Ų | 102 | 139 Ų | 139 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | 88.7 | 102.9 | 66.5 | 57.5 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 617 | S | 26.8 | Very low | 25.2 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -164.9 | 80.2 | 139.9 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 618 | I | 26.4 | Very low | 25.4 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | 66.7 | 106 | 91.5 | -60.2 | 166.4 | 0 | 0 | 0 | 113.6 | |||||
| 619 | S | 22.4 | Very low | 25.6 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -133.2 | 120 | 148.4 | 58.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 620 | L | 26.1 | Very low | 25.6 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -106.4 | 152.8 | -178.2 | -99.9 | 166.6 | 0 | 0 | 0 | 111.9 | ||||
| 621 | S | 24.2 | Very low | 25.6 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | -92.5 | 177.3 | -172.4 | 43.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 622 | E | 26.7 | Very low | 25.8 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 116.8 | 104 | 146.8 | -65.6 | 179.9 | -154.6 | 0 | 0 | 117.8 | ||||
| 623 | R | 22.9 | Very low | 25.7 | Very low | 251 Ų | 251 | 147 Ų | 147 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | -154.1 | 119.4 | 89.6 | -124.3 | 178.8 | -176.7 | -176.2 | -0.2 | 111.1 | |||||
| 624 | S | 24.7 | Very low | 25.5 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -139.1 | 134.3 | 172.5 | 51 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 625 | E | 27.7 | Very low | 25.7 | Very low | 195 Ų | 195 | 143 Ų | 143 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 153.5 | -173.7 | -67.7 | 177.9 | 144.1 | 0 | 0 | 112.4 | ||||
| 626 | T | 23.5 | Very low | 25.8 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -65.3 | 129.4 | -169.3 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 627 | T | 26 | Very low | 25.7 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -128.9 | 126.9 | 147.7 | -43.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 628 | V | 28.1 | Very low | 25.9 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -84.1 | 153.5 | -171.6 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 629 | Q | 26.7 | Very low | 25.9 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -74.2 | 134.3 | -173.8 | -73.2 | 178.9 | -40.7 | 0 | 0 | 115 | ||||
| 630 | S | 24.8 | Very low | 26.2 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | 26 | 110.2 | 139.5 | 65.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 631 | S | 24.3 | Very low | 26.1 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 53 | 126.9 | 123.9 | 68.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 632 | K | 28.5 | Very low | 26.4 | Very low | 214 Ų | 214 | 150.4 Ų | 150.4 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | -148.5 | 161.2 | 123.7 | -114.9 | 174.1 | -174.7 | 179.1 | 0 | 110.8 | |||||
| 633 | S | 24.4 | Very low | 26.3 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -104.3 | 152.7 | -167 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 634 | G | 24.3 | Very low | 27 | Very low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 150.4 | 106.9 | 150 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 635 | N | 28.7 | Very low | 27.2 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | -169.7 | 142 | 118.5 | -105 | -22.9 | 0 | 0 | 0 | 115.1 | |||||
| 636 | Q | 29.5 | Very low | 27.1 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 68.1 | 129.4 | 147.9 | -67.8 | 174.3 | -11.5 | 0 | 0 | 121.7 | ||||
| 637 | L | 23.7 | Very low | 27.4 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -88.4 | 154 | 175.1 | -57.8 | 80.4 | 0 | 0 | 0 | 111 | ||||
| 638 | H | 30 | Very low | 27.4 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | -170.9 | 163.2 | 126.5 | -98.9 | -77.6 | 0 | 0 | 0 | 108 | |||||
| 639 | E | 26.1 | Very low | 27.4 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 55% | 0.551 | 77% | 0.765 | S | S | * | * | cis | -174.6 | 149 | -49.7 | -160.5 | -154.1 | 158.8 | 0 | 0 | 106 | ||||
| 640 | K | 29 | Very low | 27.5 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | 63.5 | 162 | 171.1 | -66.5 | 151.7 | 176.7 | 136.6 | 0 | 116 | ||||
| 641 | N | 24.8 | Very low | 28 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | cis | -170.8 | 147.6 | -42 | -102.7 | -8.3 | 0 | 0 | 0 | 107 | ||||
| 642 | V | 30.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | 163.9 | 133.8 | 132.9 | 156.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 643 | E | 24 | Very low | 28.3 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -101.5 | -158.6 | -178.5 | -126.5 | -157.8 | -166.6 | 0 | 0 | 109 | K645 | E643-K645 IonicContact OE2-NZ 3.6Š| ||
| 644 | P | 37.6 | Very low | 28.5 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 58% | 0.578 | 76% | 0.757 | S | S | * | * | cis | -139.4 | 158.3 | -2.7 | 23.9 | 0.8 | 0 | 0 | 0 | 118.3 | ||||
| 645 | K | 27.9 | Very low | 28.6 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 63.7 | 152.2 | 141.7 | -64 | 157.4 | -158.4 | 155.3 | 0 | 117.4 | E643 | E643-K645 IonicContact OE2-NZ 3.6Š| ||
| 646 | R | 27.4 | Very low | 28.5 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | cis | -162.9 | 175.8 | 2.1 | -128.7 | 177.8 | 179.9 | -177.5 | -0.5 | 106.8 | ||||
| 647 | V | 29.3 | Very low | 28.5 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | cis | -144.6 | 161 | 6.6 | -151.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 648 | S | 26.3 | Very low | 28.7 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | 33.2 | 111.8 | 151.9 | 62.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 649 | A | 27.3 | Very low | 28.6 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | -144.2 | 129.5 | 124.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 650 | T | 28.7 | Very low | 29.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -132.3 | 136.5 | -175.8 | 38.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 651 | K | 36.5 | Very low | 29.2 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | -137 | 132.9 | 164.1 | -76.6 | -176.6 | 176.5 | 178.4 | 0 | 109.2 | ||||
| 652 | P | 32.9 | Very low | 29.3 | Very low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | trans | -107.4 | 137.9 | 146.2 | -2.7 | 24.4 | 0 | 0 | 0 | 108.7 | ||||
| 653 | T | 26.1 | Very low | 29 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 61% | 0.613 | 74% | 0.744 | S | S | * | * | 61.6 | 138.5 | 60.5 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 654 | Y | 28.3 | Very low | 29.4 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 87% | 0.871 | 75% | 0.751 | S | S | * | * | cis | -137.5 | -169.1 | 21.5 | -79.2 | -79.8 | 0 | 0 | 0 | 113.9 | ||||
| 655 | S | 25.2 | Very low | 28.9 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | -110.3 | 146.7 | -170.6 | 57.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 656 | L | 27.6 | Very low | 28.9 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 58.4 | 122.2 | 145.4 | -66.4 | 166.8 | 0 | 0 | 0 | 120.7 | ||||
| 657 | F | 29.1 | Very low | 29 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | -159.6 | 178.6 | 115.2 | -106.6 | -67.4 | 0 | 0 | 0 | 110.2 | |||||
| 658 | S | 27.4 | Very low | 29 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | trans | -146.1 | 131.4 | -151.4 | 49.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 659 | I | 28.9 | Very low | 29.1 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | 70.2 | 149.2 | 135 | -63.8 | 171.1 | 0 | 0 | 0 | 117.1 | ||||
| 660 | P | 42 | Very low | 29.4 | Very low | 104 Ų | 104 | 148 Ų | 148 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | cis | -136.1 | 168.7 | -29.9 | 33.5 | -14.1 | 0 | 0 | 0 | 116 | ||||
| 661 | K | 26.1 | Very low | 29.4 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 73% | 0.726 | 74% | 0.738 | S | S | * | * | 155.3 | 133.5 | 119 | -89.6 | -172.2 | 164.6 | -142.3 | 0 | 116.5 | |||||
| 662 | Q | 26.1 | Very low | 29 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | trans | 53.5 | 142.4 | 132.5 | -58.2 | -170.1 | -95.8 | 0 | 0 | 121.1 | ||||
| 663 | F | 24.9 | Very low | 29 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 75% | 0.746 | 74% | 0.74 | S | S | * | * | cis | -174.9 | 118.9 | -18.1 | -146.8 | -80.2 | 0 | 0 | 0 | 110.7 | E665 | F663-E665 HydrophobicContact CE1-CG 4.46Š| ||
| 664 | I | 31 | Very low | 29.3 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -156.3 | 118.3 | 156.2 | -46.3 | -177.3 | 0 | 0 | 0 | 103.8 | ||||
| 665 | E | 29 | Very low | 29.6 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | 63.9 | 137.9 | 68.4 | -72 | -148.2 | 152 | 0 | 0 | 113.7 | F663 | F663-E665 HydrophobicContact CE1-CG 4.46Š| |||
| 666 | L | 27.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | cis | -151.7 | 151 | 6.5 | -106.7 | 153.3 | 0 | 0 | 0 | 111 | ||||
| 667 | N | 29.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | trans | 20.9 | 154.3 | 133 | -81.9 | -34.6 | 0 | 0 | 0 | 122.1 | ||||
| 668 | K | 29.2 | Very low | 30.1 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 68% | 0.683 | 76% | 0.755 | S | S | * | * | cis | -173.4 | 165.9 | 27.2 | -128.7 | 168.3 | -179.1 | -179.8 | 0 | 113.7 | ||||
| 669 | W | 27.7 | Very low | 30.1 | Very low | 220 Ų | 220 | 156.9 Ų | 156.9 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | 74.3 | 150.5 | 161.2 | -63.3 | 2.2 | 0 | 0 | 0 | 117.4 | ||||
| 670 | S | 33.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | cis | -130 | -167.8 | 6.2 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 671 | L | 29.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 155 Ų | 155 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | -174.1 | 148.1 | -60.9 | -142 | 165.3 | 0 | 0 | 0 | 105 | |||||
| 672 | F | 28.2 | Very low | 30.5 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | 66.8 | 109.3 | 178.2 | -71.9 | -72.9 | 0 | 0 | 0 | 120.7 | ||||
| 673 | V | 31.9 | Very low | 31.3 | Very low | 136 Ų | 136 | 156 Ų | 156 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | -160.9 | 135.1 | 109 | 174.2 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 674 | P | 33.1 | Very low | 32.7 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -83.8 | 147.1 | 179.3 | 33 | -35 | 0 | 0 | 0 | 113.8 | ||||
| 675 | P | 35.5 | Very low | 34.3 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -93.6 | 103.9 | -175.5 | 35 | -33.3 | 0 | 0 | 0 | 114 | ||||
| 676 | L | 29.1 | Very low | 36.6 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | trans | -122.6 | 155.2 | 152.2 | -72.4 | 171.7 | 0 | 0 | 0 | 108.2 | ||||
| 677 | L | 29.3 | Very low | 39 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | trans | 61.3 | 65.5 | -175 | -64.6 | 165.1 | 0 | 0 | 0 | 115.8 | ||||
| 678 | R | 32.7 | Very low | 41.4 | Very low | 247 Ų | 247 | 140.3 Ų | 140.3 | 93% | 0.932 | 72% | 0.716 | S | S | * | * | trans | -110.8 | 108.4 | 135 | -81.3 | -169.1 | 177.4 | -175.9 | 0.5 | 108.9 | A680 | R678-A680 PolarHBondContact O-N 3.14Š| ||
| 679 | R | 28.6 | Very low | 43.6 | Very low | 240 Ų | 240 | 132.9 Ų | 132.9 | 91% | 0.906 | 68% | 0.684 | S | S | * | * | trans | -58.6 | 118.8 | 162.4 | -100.2 | 178.5 | 167.8 | 156.5 | -4.5 | 107.3 | V681 | R679-V681 PolarHBondContact O-N 3.11Š| ||
| 680 | A | 30 | Very low | 45.7 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -67 | 113.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | R678 D682 | R678-A680 PolarHBondContact O-N 3.14Å; A680-D682 PolarHBondContact O-N 3.35Å; A680-D682 VanDerWaalsContact O-N 3.15Å | ||
| 681 | V | 35.1 | Very low | 47.5 | Very low | 136 Ų | 136 | 120 Ų | 120 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | trans | -75.3 | 98.7 | 162.8 | 179.2 | 0 | 0 | 0 | 0 | 105.4 | R679 K683 | R679-V681 PolarHBondContact O-N 3.11Å; V681-K683 PolarHBondContact O-N 2.77Å | ||
| 682 | D | 40.3 | Very low | 49.5 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122.5 | 176 | -84.7 | -36 | 0 | 0 | 0 | 109.1 | A680 | A680-D682 PolarHBondContact O-N 3.35Å; A680-D682 VanDerWaalsContact O-N 3.15Å |
| 683 | K | 42.2 | Very low | 51.7 | Low | 189 Ų | 189 | 111.3 Ų | 111.3 | 82% | 0.822 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 132 | 172.7 | -69 | -174.5 | 177.5 | -176.2 | 0 | 107.8 | V681 K685 | V681-K683 PolarHBondContact O-N 2.77Å; K683-K685 PolarHBondContact O-N 2.83Å |
| 684 | P | 54.8 | Low | 53.8 | Low | 90 Ų | 90 | 106 Ų | 106 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 131.7 | 179.4 | 22.5 | -32.9 | 0 | 0 | 0 | 109.4 | T686 | P684-T686 PolarHBondContact O-N 2.85Š|
| 685 | K | 65.2 | Low | 56.2 | Low | 171 Ų | 171 | 101.4 Ų | 101.4 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 126.8 | 176.6 | -71.5 | 176 | -179.9 | 170.9 | 0 | 107.7 | V532 K683 | V532-K685 HydrophobicContact CB-CB 4.41Å; V532-K685 WeakPolarHBondContact CB-O 3.41Å; V532-K685 WeakPolarHBondContact CG2-O 3.45Å; V532-K685 PolarHBondContact N-O 2.93Å; K683-K685 PolarHBondContact O-N 2.83Å |
| 686 | T | 75.9 | Confident | 58.1 | Low | 80 Ų | 80 | 96.8 Ų | 96.8 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 148.7 | 177.9 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | L530 P684 | L530-T686 CarbonylContact O-C 3.5Å; L530-T686 WeakPolarHBondContact O-CA 3.48Å; L530-T686 WeakPolarHBondContact O-CB 3.31Å; P684-T686 PolarHBondContact O-N 2.85Å |
| 687 | V | 77.7 | Confident | 60.6 | Low | 26 Ų | 26 | 89.2 Ų | 89.2 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.5 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 109.1 | N529 L530 V532 C689 K718 F725 | N529-V687 WeakPolarHBondContact CA-O 2.83Å; L530-V687 PolarHBondContact N-O 3.3Å; L530-V687 PolarHBondContact O-N 3.1Å; V532-V687 HydrophobicContact CG2-CB 4.2Å; V532-V687 HydrophobicContact CG2-CG2 3.46Å; V532-V687 VanDerWaalsContact CG2-CG2 3.46Å; V687-C689 PolarHBondContact O-N 3.32Å; V687-K718 HydrophobicContact CG1-CD 4.39Å; V687-F725 HydrophobicContact CG1-CD1 4.07Å; V687-F725 HydrophobicContact CG1-CE1 4.11Å; V687-F725 HydrophobicContact CG1-CG 4.46Å; V687-F725 HydrophobicContact CG2-CD1 4.38Å; V687-F725 HydrophobicContact CG2-CE1 4.02Å |
| 688 | S | 79.7 | Confident | 62.8 | Low | 33 Ų | 33 | 84.2 Ų | 84.2 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 118.4 | 168.6 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | T527 E528 N529 K718 | T527-S688 WeakPolarHBondContact CB-OG 3.32Å; E528-S688 WeakPolarHBondContact O-CA 3.47Å; N529-S688 WeakPolarHBondContact OD1-CA 3.43Å; N529-S688 WeakPolarHBondContact OD1-CB 3.23Å; S688-K718 WeakPolarHBondContact O-CD 3.48Å; S688-K718 PolarHBondContact O-NZ 3.04Å |
| 689 | C | 75.6 | Confident | 64.9 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 162.4 | 177.6 | -70.3 | 0 | 0 | 0 | 0 | 109.5 | T527 E528 L530 V687 A717 | T527-C689 CarbonylContact C-O 3.33Å; T527-C689 WeakPolarHBondContact CA-O 3.31Å; T527-C689 WeakPolarHBondContact CB-O 3.44Å; E528-C689 PolarHBondContact N-O 2.65Å; E528-C689 PolarHBondContact O-N 3.26Å; L530-C689 HydrophobicContact CD1-CB 4.23Å; V687-C689 PolarHBondContact O-N 3.32Å; C689-A717 HydrophobicContact CB-CB 4.03Å |
| 690 | F | 71.7 | Confident | 67.3 | Low | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.013 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.2 | 176.1 | -64.8 | -67.8 | 0 | 0 | 0 | 111.3 | V501 H519 A522 T527 N692 P693 | V501-F690 HydrophobicContact CG1-CD2 4.03Å; V501-F690 WeakPolarHBondContact O-CE2 3.23Å; H519-F690 HydrophobicContact CB-CZ 3.98Å; H519-F690 AromaticContact CD2-CE2 3.78Å; H519-F690 AromaticContact CD2-CZ 3.71Å; H519-F690 AromaticContact CG-CZ 3.92Å; A522-F690 HydrophobicContact CB-CE1 3.88Å; A522-F690 HydrophobicContact CB-CZ 4.49Å; T527-F690 HydrophobicContact CG2-CD1 4.11Å; T527-F690 HydrophobicContact CG2-CE1 4.32Å; F690-N692 VanDerWaalsContact C-N 3.34Å; F690-P693 HydrophobicContact CB-CB 4.18Å |
| 691 | K | 71.1 | Confident | 69.7 | Low | 64 Ų | 64 | 61 Ų | 61 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -57.2 | -50.9 | 171.7 | -76.2 | 173.7 | 174.2 | 168.1 | 0 | 110.7 | E506 A525 A526 E528 R715 | E506-K691 VanDerWaalsContact OE1-CD 3.22Å; E506-K691 WeakPolarHBondContact OE1-CD 3.43Å; E506-K691 IonicContact OE1-NZ 3.81Å; E506-K691 PolarHBondContact OE1-NZ 2.8Å; E506-K691 IonicContact OE2-NZ 3.9Å; E506-K691 PolarHBondContact OE2-NZ 3.17Å; A525-K691 WeakPolarHBondContact O-CD 3.45Å; A525-K691 VanDerWaalsContact O-CE 3.29Å; A525-K691 WeakPolarHBondContact O-CE 3.24Å; A525-K691 PolarHBondContact O-NZ 2.77Å; A526-K691 PolarHBondContact O-N 3.03Å; E528-K691 HydrophobicContact CB-CG 4.06Å; E528-K691 HydrophobicContact CG-CG 4.1Å; K691-R715 VanDerWaalsContact O-CZ 3.26Å; K691-R715 PolarHBondContact O-NH1 2.75Å; K691-R715 PolarHBondContact O-NH2 2.99Å |
| 692 | N | 71.9 | Confident | 72.1 | Confident | 107 Ų | 107 | 55.1 Ų | 55.1 | 57% | 0.572 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -124.2 | 85.5 | -179.9 | -70.8 | -27.3 | 0 | 0 | 0 | 108.6 | F690 | F690-N692 VanDerWaalsContact C-N 3.34Š|
| 693 | P | 74.1 | Confident | 74.3 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136.7 | 175 | 27.5 | -29.6 | 0 | 0 | 0 | 110.4 | V501 N502 F690 Y695 R715 | V501-P693 HydrophobicContact CG1-CB 3.44Å; V501-P693 VanDerWaalsContact CG1-CB 3.44Å; N502-P693 CarbonylContact O-C 3.49Å; N502-P693 WeakPolarHBondContact O-CA 3.45Å; F690-P693 HydrophobicContact CB-CB 4.18Å; P693-Y695 HydrophobicContact CB-CE1 4.05Å; P693-Y695 HydrophobicContact CG-CE1 4.24Å; P693-R715 VanDerWaalsContact CD-CZ 3.46Å; P693-R715 VanDerWaalsContact CD-NH2 3.26Å |
| 694 | I | 76 | Confident | 76.5 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.7 | 161.7 | -55.1 | 163 | 0 | 0 | 0 | 107.2 | V501 N502 L504 | V501-I694 WeakPolarHBondContact CA-O 3.43Å; N502-I694 HydrophobicContact CB-CB 4.38Å; N502-I694 PolarHBondContact N-O 3.34Å; N502-I694 PolarHBondContact O-N 3.48Å; L504-I694 HydrophobicContact CB-CD1 4.4Å; L504-I694 HydrophobicContact CD1-CD1 3.88Å; L504-I694 HydrophobicContact CD1-CG1 4.04Å; L504-I694 HydrophobicContact CG-CD1 3.92Å |
| 695 | Y | 83.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.9 | 173.7 | -62.1 | -47.5 | 0 | 0 | 0 | 110.4 | V499 V501 P693 L703 V706 H707 A710 R715 L716 | V499-Y695 HydrophobicContact CG1-CD1 3.83Å; V499-Y695 HydrophobicContact CG1-CG 4.07Å; V501-Y695 HydrophobicContact CG1-CD1 4.4Å; V501-Y695 HydrophobicContact CG1-CE1 4.1Å; V501-Y695 HydrophobicContact CG2-CD1 4.21Å; V501-Y695 HydrophobicContact CG2-CE1 4.12Å; P693-Y695 HydrophobicContact CB-CE1 4.05Å; P693-Y695 HydrophobicContact CG-CE1 4.24Å; Y695-L703 WeakPolarHBondContact O-CD1 3.45Å; Y695-V706 HydrophobicContact CD1-CG1 4.07Å; Y695-V706 HydrophobicContact CD2-CG1 3.82Å; Y695-V706 HydrophobicContact CE1-CG1 3.99Å; Y695-V706 HydrophobicContact CE2-CG1 3.73Å; Y695-V706 HydrophobicContact CG-CG1 4.01Å; Y695-H707 AromaticContact CD2-CE1 3.76Å; Y695-H707 AromaticContact CD2-NE2 3.78Å; Y695-A710 HydrophobicContact CE2-CB 4.45Å; Y695-R715 WeakPolarHBondContact OH-CG 3.44Å; Y695-L716 HydrophobicContact CE1-CB 4.15Å; Y695-L716 VanDerWaalsContact CE1-O 3.23Å; Y695-L716 WeakPolarHBondContact CE1-O 3.46Å; Y695-L716 PolarHBondContact OH-O 2.86Å |
| 696 | E | 76.4 | Confident | 79.5 | Confident | 29 Ų | 29 | 28.2 Ų | 28.2 | 14% | 0.136 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.7 | 173.3 | -76.1 | 164.2 | -157.7 | 0 | 0 | 107.9 | N250 V499 V500 N502 | N250-E696 PolarHBondContact OD1-OE2 3.46Å; V499-E696 CarbonylContact C-O 3.56Å; V499-E696 WeakPolarHBondContact CA-O 3.3Å; V500-E696 HydrophobicContact CB-CB 4.38Å; V500-E696 PolarHBondContact N-O 2.88Å; V500-E696 PolarHBondContact O-N 2.84Å; V500-E696 VanDerWaalsContact O-N 3.08Å; N502-E696 PolarHBondContact ND2-OE1 2.82Å; N502-E696 PolarHBondContact ND2-OE2 2.83Å |
| 697 | A | 80.6 | Confident | 80.2 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | trans | -133.4 | 156.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L165 V499 S699 E702 L703 | L165-A697 VanDerWaalsContact CD1-O 3.3Å; L165-A697 WeakPolarHBondContact CD1-O 3.38Å; L165-A697 WeakPolarHBondContact CG-O 3.17Å; V499-A697 HydrophobicContact CG2-CB 3.79Å; A697-S699 VanDerWaalsContact C-N 3.26Å; A697-S699 WeakPolarHBondContact CB-O 3.48Å; A697-S699 PolarHBondContact O-N 2.76Å; A697-E702 HydrophobicContact CB-CB 4.2Å; A697-L703 HydrophobicContact CB-CB 3.95Å | ||
| 698 | E | 75.5 | Confident | 80.8 | Confident | 66 Ų | 66 | 25.3 Ų | 25.3 | 31% | 0.308 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -67.5 | -26.5 | 172.3 | -160.1 | -176.4 | 162.1 | 0 | 0 | 112.2 | S164 L165 T498 | S164-E698 CarbonylContact C-O 3.47Å; S164-E698 WeakPolarHBondContact CA-O 3.45Å; S164-E698 VanDerWaalsContact CB-O 3.24Å; S164-E698 WeakPolarHBondContact CB-O 3.19Å; L165-E698 PolarHBondContact N-O 3.37Å; L165-E698 WeakPolarHBondContact O-CG 3.31Å; T498-E698 HydrophobicContact CG2-CB 4.25Å; T498-E698 VanDerWaalsContact OG1-CB 3.31Å; T498-E698 WeakPolarHBondContact OG1-CB 3.44Å; T498-E698 PolarHBondContact OG1-N 2.97Å; T498-E698 VanDerWaalsContact OG1-N 3.16Å |
| 699 | S | 77.4 | Confident | 81.3 | Confident | 30 Ų | 30 | 23.7 Ų | 23.7 | 21% | 0.21 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -143.4 | 151.9 | 171.7 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | A697 D701 E702 L703 | A697-S699 VanDerWaalsContact C-N 3.26Å; A697-S699 WeakPolarHBondContact CB-O 3.48Å; A697-S699 PolarHBondContact O-N 2.76Å; S699-D701 PolarHBondContact O-N 2.83Å; S699-E702 PolarHBondContact O-N 3.34Å; S699-E702 VanDerWaalsContact O-N 3.11Å; S699-L703 PolarHBondContact O-N 3.04Å |
| 700 | P | 78.2 | Confident | 82 | Confident | 25 Ų | 25 | 25 Ų | 25 | 16% | 0.162 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.2 | -24.6 | -178.6 | 28.4 | -36.4 | 0 | 0 | 0 | 112.8 | M416 E702 L703 A704 | M416-P700 HydrophobicContact CB-CB 4.21Å; M416-P700 HydrophobicContact CE-CG 4.5Å; M416-P700 HydrophobicContact CG-CB 3.66Å; M416-P700 HydrophobicContact CG-CG 3.85Å; P700-E702 VanDerWaalsContact C-N 3.32Å; P700-E702 PolarHBondContact O-N 3.47Å; P700-L703 WeakPolarHBondContact O-CB 3.43Å; P700-L703 PolarHBondContact O-N 3.39Å; P700-A704 WeakPolarHBondContact O-CB 3.4Å; P700-A704 PolarHBondContact O-N 3.02Å |
| 701 | D | 81 | Confident | 82.7 | Confident | 30 Ų | 30 | 26.1 Ų | 26.1 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 171.4 | -65.1 | 39.6 | 0 | 0 | 0 | 111.4 | S699 L705 R808 | S699-D701 PolarHBondContact O-N 2.83Å; D701-L705 VanDerWaalsContact O-CG 3.29Å; D701-L705 WeakPolarHBondContact O-CG 3.25Å; D701-L705 PolarHBondContact O-N 3.28Å; D701-R808 IonicContact OD1-NH1 3.05Å; D701-R808 PolarHBondContact OD1-NH1 2.92Å; D701-R808 WeakPolarHBondContact OD2-CD 3.45Å; D701-R808 IonicContact OD2-NH1 2.7Å; D701-R808 PolarHBondContact OD2-NH1 2.93Å |
| 702 | E | 86.3 | Confident | 83.5 | Confident | 14 Ų | 14 | 23.1 Ų | 23.1 | 7% | 0.065 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.7 | -40.6 | 173.4 | -58.7 | -154 | 132.2 | 0 | 0 | 112.4 | N497 T498 V499 A697 S699 P700 A704 L705 V706 M751 K768 | N497-E702 VanDerWaalsContact CA-OE1 3.28Å; N497-E702 WeakPolarHBondContact CA-OE1 3.39Å; N497-E702 HydrophobicContact CB-CB 4.35Å; N497-E702 HydrophobicContact CB-CG 4.46Å; T498-E702 WeakPolarHBondContact CB-OE2 3.4Å; T498-E702 PolarHBondContact N-OE2 2.86Å; T498-E702 PolarHBondContact OG1-OE2 2.87Å; V499-E702 HydrophobicContact CG2-CB 4.22Å; A697-E702 HydrophobicContact CB-CB 4.2Å; S699-E702 PolarHBondContact O-N 3.34Å; S699-E702 VanDerWaalsContact O-N 3.11Å; P700-E702 VanDerWaalsContact C-N 3.32Å; P700-E702 PolarHBondContact O-N 3.47Å; E702-A704 VanDerWaalsContact C-N 3.34Å; E702-A704 PolarHBondContact O-N 3.05Å; E702-L705 PolarHBondContact O-N 3.37Å; E702-V706 PolarHBondContact O-N 3.03Å; E702-M751 VanDerWaalsContact OE1-SD 3.4Å; E702-K768 IonicContact OE1-NZ 2.74Å; E702-K768 PolarHBondContact OE1-NZ 3.3Å |
| 703 | L | 86 | Confident | 84.2 | Confident | 21 Ų | 21 | 19 Ų | 19 | 11% | 0.11 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | -179.6 | -174.3 | 58.7 | 0 | 0 | 0 | 110.9 | V449 Y695 A697 S699 P700 L705 V706 H707 | V449-L703 HydrophobicContact CG2-CD2 4.12Å; V449-L703 HydrophobicContact CG2-CG 4.12Å; Y695-L703 WeakPolarHBondContact O-CD1 3.45Å; A697-L703 HydrophobicContact CB-CB 3.95Å; S699-L703 PolarHBondContact O-N 3.04Å; P700-L703 WeakPolarHBondContact O-CB 3.43Å; P700-L703 PolarHBondContact O-N 3.39Å; L703-L705 VanDerWaalsContact C-N 3.33Å; L703-L705 PolarHBondContact O-N 2.81Å; L703-V706 PolarHBondContact O-N 2.9Å; L703-H707 PolarHBondContact O-CD2 3.07Å; L703-H707 VanDerWaalsContact O-CD2 3.28Å; L703-H707 PolarHBondContact O-N 3.07Å |
| 704 | A | 88.5 | Confident | 85 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M416 P700 E702 A708 V862 | M416-A704 HydrophobicContact CB-CB 3.98Å; M416-A704 WeakPolarHBondContact O-CB 3.29Å; P700-A704 WeakPolarHBondContact O-CB 3.4Å; P700-A704 PolarHBondContact O-N 3.02Å; E702-A704 VanDerWaalsContact C-N 3.34Å; E702-A704 PolarHBondContact O-N 3.05Å; A704-A708 VanDerWaalsContact O-CB 3.3Å; A704-A708 WeakPolarHBondContact O-CB 3.45Å; A704-A708 PolarHBondContact O-N 2.87Å; A704-V862 HydrophobicContact CB-CG1 4.12Å |
| 705 | L | 91.7 | Very high | 85.6 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.5 | -41.1 | 178.3 | -67 | 170.8 | 0 | 0 | 0 | 112.5 | F418 M493 D701 E702 L703 A708 A709 L810 T860 V862 | F418-L705 HydrophobicContact CD2-CD2 4.22Å; F418-L705 HydrophobicContact CE2-CD2 4.44Å; M493-L705 HydrophobicContact CB-CB 4.48Å; M493-L705 HydrophobicContact CE-CB 4.31Å; M493-L705 HydrophobicContact CE-CD2 3.88Å; M493-L705 WeakPolarHBondContact CE-O 3.49Å; M493-L705 HydrophobicContact CG-CD2 4.38Å; D701-L705 VanDerWaalsContact O-CG 3.29Å; D701-L705 WeakPolarHBondContact O-CG 3.25Å; D701-L705 PolarHBondContact O-N 3.28Å; E702-L705 PolarHBondContact O-N 3.37Å; L703-L705 VanDerWaalsContact C-N 3.33Å; L703-L705 PolarHBondContact O-N 2.81Å; L705-A708 PolarHBondContact O-N 3.07Å; L705-A709 PolarHBondContact O-N 2.77Å; L705-L810 HydrophobicContact CD1-CD1 4.1Å; L705-T860 HydrophobicContact CD2-CG2 3.78Å; L705-V862 HydrophobicContact CD2-CG2 4.39Å |
| 706 | V | 91.8 | Very high | 86 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.5 | -39.4 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | N497 V499 Y695 E702 L703 A708 A709 A710 L716 | N497-V706 WeakPolarHBondContact ND2-CG2 3.39Å; V499-V706 HydrophobicContact CB-CG2 4.31Å; V499-V706 HydrophobicContact CG2-CG2 3.75Å; Y695-V706 HydrophobicContact CD1-CG1 4.07Å; Y695-V706 HydrophobicContact CD2-CG1 3.82Å; Y695-V706 HydrophobicContact CE1-CG1 3.99Å; Y695-V706 HydrophobicContact CE2-CG1 3.73Å; Y695-V706 HydrophobicContact CG-CG1 4.01Å; E702-V706 PolarHBondContact O-N 3.03Å; L703-V706 PolarHBondContact O-N 2.9Å; V706-A708 VanDerWaalsContact C-N 3.34Å; V706-A708 PolarHBondContact O-N 2.72Å; V706-A709 PolarHBondContact O-N 2.81Å; V706-A710 WeakPolarHBondContact O-CB 3.31Å; V706-A710 PolarHBondContact O-N 2.86Å; V706-L716 HydrophobicContact CG1-CB 4.14Å; V706-L716 HydrophobicContact CG1-CD2 4.46Å |
| 707 | H | 89.1 | Confident | 86.4 | Confident | 45 Ų | 45 | 18 Ų | 18 | 21% | 0.208 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 172 | -85 | -72.8 | 0 | 0 | 0 | 112.5 | V449 Y695 L703 A710 A711 | V449-H707 HydrophobicContact CG1-CB 4.1Å; Y695-H707 AromaticContact CD2-CE1 3.76Å; Y695-H707 AromaticContact CD2-NE2 3.78Å; L703-H707 PolarHBondContact O-CD2 3.07Å; L703-H707 VanDerWaalsContact O-CD2 3.28Å; L703-H707 PolarHBondContact O-N 3.07Å; H707-A710 PolarHBondContact O-N 3.25Å; H707-A711 PolarHBondContact O-N 3.05Å |
| 708 | A | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F418 M493 A704 L705 V706 A710 A711 Y712 | F418-A708 HydrophobicContact CB-CB 3.69Å; F418-A708 HydrophobicContact CD1-CB 3.83Å; F418-A708 HydrophobicContact CD2-CB 3.6Å; F418-A708 HydrophobicContact CE1-CB 4.33Å; F418-A708 HydrophobicContact CE2-CB 4.1Å; F418-A708 HydrophobicContact CG-CB 3.43Å; F418-A708 VanDerWaalsContact CG-CB 3.43Å; F418-A708 HydrophobicContact CZ-CB 4.43Å; M493-A708 HydrophobicContact CE-CB 3.78Å; A704-A708 VanDerWaalsContact O-CB 3.3Å; A704-A708 WeakPolarHBondContact O-CB 3.45Å; A704-A708 PolarHBondContact O-N 2.87Å; L705-A708 PolarHBondContact O-N 3.07Å; V706-A708 VanDerWaalsContact C-N 3.34Å; V706-A708 PolarHBondContact O-N 2.72Å; A708-A710 VanDerWaalsContact C-N 3.3Å; A708-A710 PolarHBondContact O-N 3.36Å; A708-A711 WeakPolarHBondContact O-CB 3.4Å; A708-A711 PolarHBondContact O-N 3.38Å; A708-Y712 VanDerWaalsContact O-CD2 3.31Å; A708-Y712 WeakPolarHBondContact O-CD2 3.36Å; A708-Y712 PolarHBondContact O-N 3.25Å |
| 709 | A | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F490 M493 A494 L705 V706 A711 Y712 G713 I714 | F490-A709 HydrophobicContact CD1-CB 4.24Å; M493-A709 HydrophobicContact CB-CB 4.21Å; A494-A709 HydrophobicContact CB-CB 4.17Å; L705-A709 PolarHBondContact O-N 2.77Å; V706-A709 PolarHBondContact O-N 2.81Å; A709-A711 VanDerWaalsContact C-N 3.32Å; A709-A711 PolarHBondContact O-N 2.97Å; A709-Y712 CarbonylContact O-C 3.52Å; A709-Y712 PolarHBondContact O-N 3.44Å; A709-G713 PolarHBondContact O-N 3.2Å; A709-I714 CarbonylContact C-O 3.57Å; A709-I714 WeakPolarHBondContact CB-O 3.44Å; A709-I714 CarbonylContact O-C 3.56Å; A709-I714 PolarHBondContact O-N 2.81Å; A709-I714 VanDerWaalsContact O-O 3.1Å |
| 710 | A | 89.2 | Confident | 86.7 | Confident | 28 Ų | 28 | 22 Ų | 22 | 23% | 0.231 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.1 | -33.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y695 V706 H707 A708 G713 I714 R715 | Y695-A710 HydrophobicContact CE2-CB 4.45Å; V706-A710 WeakPolarHBondContact O-CB 3.31Å; V706-A710 PolarHBondContact O-N 2.86Å; H707-A710 PolarHBondContact O-N 3.25Å; A708-A710 VanDerWaalsContact C-N 3.3Å; A708-A710 PolarHBondContact O-N 3.36Å; A710-G713 PolarHBondContact O-N 3.16Å; A710-G713 VanDerWaalsContact O-N 3.11Å; A710-I714 PolarHBondContact N-O 3.2Å; A710-R715 HydrophobicContact CB-CB 4.25Å; A710-R715 HydrophobicContact CB-CG 4.07Å |
| 711 | A | 86.8 | Confident | 86.4 | Confident | 26 Ų | 26 | 24.4 Ų | 24.4 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.7 | -30.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V452 H707 A708 A709 G713 | V452-A711 HydrophobicContact CB-CB 4.06Å; V452-A711 HydrophobicContact CG1-CB 4.39Å; V452-A711 WeakPolarHBondContact O-CB 3.37Å; H707-A711 PolarHBondContact O-N 3.05Å; A708-A711 WeakPolarHBondContact O-CB 3.4Å; A708-A711 PolarHBondContact O-N 3.38Å; A709-A711 VanDerWaalsContact C-N 3.32Å; A709-A711 PolarHBondContact O-N 2.97Å; A711-G713 PolarHBondContact O-N 3.28Å |
| 712 | Y | 88.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 15.1 | 168.6 | -70 | -81 | 0 | 0 | 0 | 113.2 | F418 P454 N455 L458 K459 I462 F490 A708 A709 I714 | F418-Y712 HydrophobicContact CE1-CE2 4.16Å; P454-Y712 HydrophobicContact CB-CD1 3.68Å; P454-Y712 HydrophobicContact CB-CD2 4.32Å; P454-Y712 HydrophobicContact CB-CE1 3.42Å; P454-Y712 VanDerWaalsContact CB-CE1 3.42Å; P454-Y712 HydrophobicContact CB-CE2 4.09Å; P454-Y712 HydrophobicContact CB-CG 4.12Å; N455-Y712 HydrophobicContact CB-CE1 4.47Å; N455-Y712 WeakPolarHBondContact CB-OH 3.18Å; N455-Y712 PolarHBondContact N-OH 3.15Å; L458-Y712 HydrophobicContact CB-CE1 4.05Å; L458-Y712 HydrophobicContact CD2-CE1 3.88Å; L458-Y712 HydrophobicContact CG-CD1 4.35Å; L458-Y712 HydrophobicContact CG-CE1 3.92Å; K459-Y712 HydrophobicContact CB-CD1 4.09Å; K459-Y712 HydrophobicContact CB-CE1 4.29Å; I462-Y712 HydrophobicContact CD1-CD1 3.95Å; I462-Y712 HydrophobicContact CD1-CG 4.31Å; F490-Y712 HydrophobicContact CD1-CD2 4.36Å; F490-Y712 AromaticContact CE1-CD2 3.43Å; F490-Y712 HydrophobicContact CE1-CD2 3.43Å; F490-Y712 VanDerWaalsContact CE1-CD2 3.43Å; F490-Y712 HydrophobicContact CE1-CE2 4.02Å; F490-Y712 AromaticContact CE1-CG 3.86Å; F490-Y712 HydrophobicContact CE1-CG 3.86Å; F490-Y712 HydrophobicContact CZ-CD1 4.28Å; F490-Y712 AromaticContact CZ-CD2 3.67Å; F490-Y712 HydrophobicContact CZ-CD2 3.67Å; F490-Y712 HydrophobicContact CZ-CE2 4.05Å; F490-Y712 AromaticContact CZ-CG 3.81Å; F490-Y712 HydrophobicContact CZ-CG 3.81Å; A708-Y712 VanDerWaalsContact O-CD2 3.31Å; A708-Y712 WeakPolarHBondContact O-CD2 3.36Å; A708-Y712 PolarHBondContact O-N 3.25Å; A709-Y712 CarbonylContact O-C 3.52Å; A709-Y712 PolarHBondContact O-N 3.44Å; Y712-I714 VanDerWaalsContact C-N 3.32Å; Y712-I714 PolarHBondContact O-N 3.45Å |
| 713 | G | 86.1 | Confident | 86.4 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -4.7 | 173 | 0 | 0 | 0 | 0 | 0 | 116 | A709 A710 A711 R715 M728 | A709-G713 PolarHBondContact O-N 3.2Å; A710-G713 PolarHBondContact O-N 3.16Å; A710-G713 VanDerWaalsContact O-N 3.11Å; A711-G713 PolarHBondContact O-N 3.28Å; G713-R715 PolarHBondContact O-N 2.79Å; G713-M728 CarbonylContact O-C 3.6Å |
| 714 | I | 90.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -100 | 87.9 | 179.7 | -65.4 | 170.3 | 0 | 0 | 0 | 108.3 | I462 F490 V491 A494 A709 A710 Y712 I726 M728 | I462-I714 HydrophobicContact CG2-CD1 4.38Å; F490-I714 HydrophobicContact CB-CB 4.14Å; F490-I714 HydrophobicContact CB-CD1 3.58Å; F490-I714 HydrophobicContact CB-CG1 4.42Å; F490-I714 HydrophobicContact CB-CG2 4.16Å; F490-I714 HydrophobicContact CG-CD1 4.32Å; V491-I714 HydrophobicContact CG2-CG2 4.19Å; A494-I714 HydrophobicContact CB-CG2 4.49Å; A709-I714 CarbonylContact C-O 3.57Å; A709-I714 WeakPolarHBondContact CB-O 3.44Å; A709-I714 CarbonylContact O-C 3.56Å; A709-I714 PolarHBondContact O-N 2.81Å; A709-I714 VanDerWaalsContact O-O 3.1Å; A710-I714 PolarHBondContact N-O 3.2Å; Y712-I714 VanDerWaalsContact C-N 3.32Å; Y712-I714 PolarHBondContact O-N 3.45Å; I714-I726 HydrophobicContact CG2-CG2 3.8Å; I714-M728 HydrophobicContact CG1-SD 4.24Å; I714-M728 HydrophobicContact CG2-SD 4.46Å | ||
| 715 | R | 89.8 | Confident | 86.7 | Confident | 54 Ų | 54 | 32.7 Ų | 32.7 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.3 | -163.5 | -174.4 | -165.3 | -145.6 | -163.8 | 10.4 | 111.4 | K691 P693 Y695 A710 G713 A717 I726 Q727 | K691-R715 VanDerWaalsContact O-CZ 3.26Å; K691-R715 PolarHBondContact O-NH1 2.75Å; K691-R715 PolarHBondContact O-NH2 2.99Å; P693-R715 VanDerWaalsContact CD-CZ 3.46Å; P693-R715 VanDerWaalsContact CD-NH2 3.26Å; Y695-R715 WeakPolarHBondContact OH-CG 3.44Å; A710-R715 HydrophobicContact CB-CB 4.25Å; A710-R715 HydrophobicContact CB-CG 4.07Å; G713-R715 PolarHBondContact O-N 2.79Å; R715-A717 PolarHBondContact O-N 3.15Å; R715-I726 WeakPolarHBondContact O-CA 3.48Å; R715-Q727 HydrophobicContact CB-CB 4.29Å; R715-Q727 VanDerWaalsContact CD-OE1 3.24Å; R715-Q727 PolarHBondContact N-O 2.7Å; R715-Q727 PolarHBondContact O-N 3.28Å |
| 716 | L | 90.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 94.4 | 166 | -176.9 | 66.5 | 0 | 0 | 0 | 108.5 | V499 V501 Y695 V706 A724 | V499-L716 HydrophobicContact CB-CD2 4.41Å; V499-L716 HydrophobicContact CG1-CD2 4.41Å; V501-L716 HydrophobicContact CG2-CD2 3.73Å; V501-L716 HydrophobicContact CG2-CG 3.9Å; Y695-L716 HydrophobicContact CE1-CB 4.15Å; Y695-L716 VanDerWaalsContact CE1-O 3.23Å; Y695-L716 WeakPolarHBondContact CE1-O 3.46Å; Y695-L716 PolarHBondContact OH-O 2.86Å; V706-L716 HydrophobicContact CG1-CB 4.14Å; V706-L716 HydrophobicContact CG1-CD2 4.46Å; L716-A724 HydrophobicContact CD1-CB 4.22Å |
| 717 | A | 85.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -27 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C689 R715 F725 Q727 | C689-A717 HydrophobicContact CB-CB 4.03Å; R715-A717 PolarHBondContact O-N 3.15Å; A717-F725 PolarHBondContact N-O 2.66Å; A717-Q727 HydrophobicContact CB-CB 3.89Å |
| 718 | K | 83.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 147 | 178.8 | 174.4 | 167.7 | 172.9 | 163.3 | 0 | 111.2 | H519 V687 S688 F725 | H519-K718 PolarHBondContact CD2-NZ 3.16Å; H519-K718 PolarHBondContact CE1-NZ 3.08Å; H519-K718 WeakPolarHBondContact NE2-CE 3.01Å; H519-K718 PolarHBondContact NE2-NZ 3.15Å; V687-K718 HydrophobicContact CG1-CD 4.39Å; S688-K718 WeakPolarHBondContact O-CD 3.48Å; S688-K718 PolarHBondContact O-NZ 3.04Å; K718-F725 HydrophobicContact CB-CB 4.14Å; K718-F725 HydrophobicContact CB-CD2 4.04Å; K718-F725 HydrophobicContact CB-CG 4.42Å; K718-F725 HydrophobicContact CD-CD2 4.29Å; K718-F725 HydrophobicContact CG-CD2 3.92Å; K718-F725 HydrophobicContact CG-CE2 4.48Å; K718-F725 PolarHBondContact N-O 2.8Å; K718-F725 PolarHBondContact O-N 3.16Å |
| 719 | R | 82.7 | Confident | 86.2 | Confident | 53 Ų | 53 | 33 Ų | 33 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.5 | 168.9 | -159.4 | -179.5 | -157.5 | 155.6 | 6.8 | 108.8 | I495 N497 V499 V501 Q723 A724 | I495-R719 PolarHBondContact O-NH2 3.34Å; N497-R719 VanDerWaalsContact O-CZ 3.31Å; N497-R719 PolarHBondContact O-NH1 3.2Å; N497-R719 PolarHBondContact O-NH2 3.01Å; N497-R719 PolarHBondContact OD1-NH1 3.37Å; V499-R719 VanDerWaalsContact N-NH1 3.18Å; V499-R719 WeakPolarHBondContact O-CD 3.38Å; V499-R719 PolarHBondContact O-NH1 2.92Å; V501-R719 HydrophobicContact CG2-CB 4Å; R719-Q723 WeakPolarHBondContact CA-O 3.44Å; R719-A724 HydrophobicContact CG-CB 4.39Å |
| 720 | H | 73 | Confident | 85.8 | Confident | 107 Ų | 107 | 35 Ų | 35 | 50% | 0.495 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 117.1 | -176.7 | -173.5 | 82.4 | 0 | 0 | 0 | 110.8 | D520 K722 Q723 | D520-H720 IonicContact OD1-CE1 2.68Å; H720-K722 PolarHBondContact O-N 2.91Å; H720-Q723 PolarHBondContact N-O 3.42Å; H720-Q723 PolarHBondContact O-N 3.46Å |
| 721 | G | 72.5 | Confident | 85.6 | Confident | 77 Ų | 77 | 39.6 Ų | 39.6 | 79% | 0.794 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | -124.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 722 | K | 81.3 | Confident | 85.5 | Confident | 141 Ų | 141 | 40.5 Ų | 40.5 | 61% | 0.613 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 15.9 | 176 | -74.5 | -161.1 | 169.1 | -155.6 | 0 | 114.5 | H720 V738 L739 | H720-K722 PolarHBondContact O-N 2.91Å; K722-V738 WeakPolarHBondContact CD-O 3.03Å; K722-V738 PolarHBondContact O-N 2.95Å; K722-L739 PolarHBondContact NZ-O 2.99Å |
| 723 | Q | 85.8 | Confident | 85.5 | Confident | 81 Ų | 81 | 40.4 Ų | 40.4 | 38% | 0.379 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.5 | 177.7 | -70.3 | -170.5 | -34.6 | 0 | 0 | 113 | R719 H720 F725 D737 | R719-Q723 WeakPolarHBondContact CA-O 3.44Å; H720-Q723 PolarHBondContact N-O 3.42Å; H720-Q723 PolarHBondContact O-N 3.46Å; Q723-F725 HydrophobicContact CB-CE2 3.83Å; Q723-F725 HydrophobicContact CB-CZ 4.14Å; Q723-D737 WeakPolarHBondContact CG-OD1 3.3Å; Q723-D737 PolarHBondContact NE2-OD1 2.87Å |
| 724 | A | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I495 L716 R719 Y736 V738 | I495-A724 HydrophobicContact CD1-CB 3.87Å; I495-A724 HydrophobicContact CG1-CB 3.77Å; L716-A724 HydrophobicContact CD1-CB 4.22Å; R719-A724 HydrophobicContact CG-CB 4.39Å; A724-Y736 PolarHBondContact N-O 2.79Å; A724-Y736 PolarHBondContact O-N 2.81Å; A724-V738 HydrophobicContact CB-CG2 4.18Å |
| 725 | F | 90.6 | Very high | 85.4 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.1 | -178.7 | -63.4 | -90.5 | 0 | 0 | 0 | 108.6 | V687 A717 K718 Q723 V733 A735 | V687-F725 HydrophobicContact CG1-CD1 4.07Å; V687-F725 HydrophobicContact CG1-CE1 4.11Å; V687-F725 HydrophobicContact CG1-CG 4.46Å; V687-F725 HydrophobicContact CG2-CD1 4.38Å; V687-F725 HydrophobicContact CG2-CE1 4.02Å; A717-F725 PolarHBondContact N-O 2.66Å; K718-F725 HydrophobicContact CB-CB 4.14Å; K718-F725 HydrophobicContact CB-CD2 4.04Å; K718-F725 HydrophobicContact CB-CG 4.42Å; K718-F725 HydrophobicContact CD-CD2 4.29Å; K718-F725 HydrophobicContact CG-CD2 3.92Å; K718-F725 HydrophobicContact CG-CE2 4.48Å; K718-F725 PolarHBondContact N-O 2.8Å; K718-F725 PolarHBondContact O-N 3.16Å; Q723-F725 HydrophobicContact CB-CE2 3.83Å; Q723-F725 HydrophobicContact CB-CZ 4.14Å; F725-V733 HydrophobicContact CB-CG1 3.81Å; F725-V733 HydrophobicContact CD1-CG1 3.92Å; F725-V733 HydrophobicContact CG-CG1 4.37Å; F725-A735 HydrophobicContact CD1-CB 4.13Å; F725-A735 HydrophobicContact CE1-CB 3.98Å |
| 726 | I | 90.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.5 | 175.2 | -69.4 | -178.8 | 0 | 0 | 0 | 108.5 | V491 A494 I495 I714 R715 M728 V733 Y734 Y736 | V491-I726 HydrophobicContact CB-CD1 4.37Å; V491-I726 HydrophobicContact CG1-CD1 3.96Å; V491-I726 HydrophobicContact CG2-CD1 4.24Å; A494-I726 HydrophobicContact CB-CD1 3.83Å; A494-I726 HydrophobicContact CB-CG1 4.4Å; I495-I726 HydrophobicContact CB-CD1 4.29Å; I495-I726 HydrophobicContact CD1-CD1 3.57Å; I495-I726 HydrophobicContact CD1-CG1 4.08Å; I495-I726 HydrophobicContact CG1-CD1 3.85Å; I495-I726 HydrophobicContact CG1-CG1 4.35Å; I714-I726 HydrophobicContact CG2-CG2 3.8Å; R715-I726 WeakPolarHBondContact O-CA 3.48Å; I726-M728 HydrophobicContact CG2-SD 4Å; I726-V733 CarbonylContact O-C 3.52Å; I726-V733 VanDerWaalsContact O-CA 3.32Å; I726-V733 WeakPolarHBondContact O-CA 3.41Å; I726-Y734 PolarHBondContact N-O 2.94Å; I726-Y734 PolarHBondContact O-N 2.82Å; I726-Y736 HydrophobicContact CB-CE2 4.33Å; I726-Y736 HydrophobicContact CD1-CD2 4.4Å; I726-Y736 HydrophobicContact CD1-CE2 4.14Å; I726-Y736 HydrophobicContact CG1-CE2 4.47Å |
| 727 | Q | 90.1 | Very high | 85.5 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.2 | 165.4 | 171.9 | -172.4 | -2.4 | 0 | 0 | 108.6 | L530 R715 A717 Q732 V733 | L530-Q727 HydrophobicContact CD1-CB 4.29Å; L530-Q727 HydrophobicContact CD1-CG 4.09Å; R715-Q727 HydrophobicContact CB-CB 4.29Å; R715-Q727 VanDerWaalsContact CD-OE1 3.24Å; R715-Q727 PolarHBondContact N-O 2.7Å; R715-Q727 PolarHBondContact O-N 3.28Å; A717-Q727 HydrophobicContact CB-CB 3.89Å; Q727-Q732 WeakPolarHBondContact CA-O 3.39Å; Q727-V733 HydrophobicContact CB-CG2 4.17Å |
| 728 | M | 88 | Confident | 85.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -96.5 | 169.9 | 177.2 | -65.1 | -59.4 | -136.6 | 0 | 0 | 111.9 | F466 I487 V491 W538 G713 I714 I726 N730 R731 Q732 Y734 | F466-M728 HydrophobicContact CD1-CB 4.07Å; F466-M728 HydrophobicContact CE1-CB 3.55Å; F466-M728 HydrophobicContact CE1-CE 4.14Å; F466-M728 HydrophobicContact CE1-CG 3.81Å; F466-M728 HydrophobicContact CE1-SD 4.1Å; F466-M728 HydrophobicContact CZ-CB 4.34Å; F466-M728 HydrophobicContact CZ-CE 3.97Å; F466-M728 HydrophobicContact CZ-CG 4.39Å; F466-M728 HydrophobicContact CZ-SD 4.06Å; I487-M728 HydrophobicContact CG2-CE 3.85Å; V491-M728 HydrophobicContact CG2-CE 4.46Å; W538-M728 HydrophobicContact CZ2-CE 4.43Å; G713-M728 CarbonylContact O-C 3.6Å; I714-M728 HydrophobicContact CG1-SD 4.24Å; I714-M728 HydrophobicContact CG2-SD 4.46Å; I726-M728 HydrophobicContact CG2-SD 4Å; M728-N730 VanDerWaalsContact C-N 3.34Å; M728-N730 PolarHBondContact O-N 2.84Å; M728-R731 WeakPolarHBondContact O-CA 3.17Å; M728-R731 PolarHBondContact O-N 2.96Å; M728-Q732 PolarHBondContact N-O 3.47Å; M728-Y734 HydrophobicContact CE-CD2 4.16Å; M728-Y734 HydrophobicContact CE-CE2 4.38Å; M728-Y734 HydrophobicContact CG-CD2 3.61Å; M728-Y734 HydrophobicContact CG-CE2 3.88Å |
| 729 | P | 84.6 | Confident | 86.1 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -42.5 | 177.7 | -29 | 35.8 | 0 | 0 | 0 | 114.4 | I462 F466 R731 | I462-P729 HydrophobicContact CG2-CG 3.86Å; F466-P729 HydrophobicContact CB-CB 4.13Å; F466-P729 HydrophobicContact CD1-CG 4.5Å; F466-P729 HydrophobicContact CD2-CB 4.45Å; F466-P729 HydrophobicContact CD2-CG 4.05Å; F466-P729 HydrophobicContact CE2-CG 4.28Å; F466-P729 HydrophobicContact CG-CB 4.16Å; F466-P729 HydrophobicContact CG-CG 4.15Å; P729-R731 PolarHBondContact O-N 2.93Å |
| 730 | N | 83.4 | Confident | 86.5 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 12.6 | 174 | 68.4 | -1.5 | 0 | 0 | 0 | 114.6 | F466 E469 M728 Q732 | F466-N730 HydrophobicContact CB-CB 4.22Å; F466-N730 HydrophobicContact CD1-CB 4.36Å; E469-N730 PolarHBondContact OE2-ND2 3.05Å; M728-N730 VanDerWaalsContact C-N 3.34Å; M728-N730 PolarHBondContact O-N 2.84Å; N730-Q732 PolarHBondContact ND2-NE2 2.87Å; N730-Q732 PolarHBondContact O-N 3.45Å; N730-Q732 WeakPolarHBondContact OD1-CB 3.45Å; N730-Q732 WeakPolarHBondContact OD1-CG 3.46Å; N730-Q732 PolarHBondContact OD1-N 3.32Å |
| 731 | R | 84.2 | Confident | 87.2 | Confident | 125 Ų | 125 | 37.6 Ų | 37.6 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 59.7 | 4.6 | -176.5 | -53.5 | -168.6 | 70 | 165.7 | 1.6 | 116.1 | E528 L530 M728 P729 | E528-R731 IonicContact OE1-CZ 3.74Å; E528-R731 IonicContact OE1-NH2 2.63Å; E528-R731 PolarHBondContact OE1-NH2 3.03Å; E528-R731 IonicContact OE2-NH2 3.97Å; E528-R731 PolarHBondContact OE2-NH2 3.35Å; L530-R731 HydrophobicContact CD2-CB 4.32Å; M728-R731 WeakPolarHBondContact O-CA 3.17Å; M728-R731 PolarHBondContact O-N 2.96Å; P729-R731 PolarHBondContact O-N 2.93Å |
| 732 | Q | 85.4 | Confident | 88.1 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | trans | -66.7 | 147.8 | 167.5 | -60.1 | -175.6 | 26.9 | 0 | 0 | 110.3 | E469 Q727 M728 N730 Y734 | E469-Q732 PolarHBondContact OE2-NE2 3.22Å; Q727-Q732 WeakPolarHBondContact CA-O 3.39Å; M728-Q732 PolarHBondContact N-O 3.47Å; N730-Q732 PolarHBondContact ND2-NE2 2.87Å; N730-Q732 PolarHBondContact O-N 3.45Å; N730-Q732 WeakPolarHBondContact OD1-CB 3.45Å; N730-Q732 WeakPolarHBondContact OD1-CG 3.46Å; N730-Q732 PolarHBondContact OD1-N 3.32Å; Q732-Y734 HydrophobicContact CB-CE2 4.5Å | ||
| 733 | V | 87.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.3 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | L530 P531 V532 A533 F725 I726 Q727 | L530-V733 HydrophobicContact CB-CG2 3.56Å; L530-V733 HydrophobicContact CD1-CG2 3.72Å; L530-V733 HydrophobicContact CG-CG2 4.29Å; P531-V733 PolarHBondContact O-N 2.82Å; V532-V733 WeakPolarHBondContact CA-O 3.35Å; A533-V733 PolarHBondContact N-O 3.02Å; F725-V733 HydrophobicContact CB-CG1 3.81Å; F725-V733 HydrophobicContact CD1-CG1 3.92Å; F725-V733 HydrophobicContact CG-CG1 4.37Å; I726-V733 CarbonylContact O-C 3.52Å; I726-V733 VanDerWaalsContact O-CA 3.32Å; I726-V733 WeakPolarHBondContact O-CA 3.41Å; Q727-V733 HydrophobicContact CB-CG2 4.17Å |
| 734 | Y | 87.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.7 | 170.4 | -74.9 | -100.7 | 0 | 0 | 0 | 109.7 | A533 W538 I726 M728 Q732 | A533-Y734 HydrophobicContact CB-CD1 3.99Å; A533-Y734 HydrophobicContact CB-CD2 3.98Å; A533-Y734 HydrophobicContact CB-CE1 3.65Å; A533-Y734 HydrophobicContact CB-CE2 3.63Å; A533-Y734 HydrophobicContact CB-CG 4.15Å; A533-Y734 VanDerWaalsContact CB-CZ 3.46Å; W538-Y734 HydrophobicContact CZ2-CE2 4.5Å; I726-Y734 PolarHBondContact N-O 2.94Å; I726-Y734 PolarHBondContact O-N 2.82Å; M728-Y734 HydrophobicContact CE-CD2 4.16Å; M728-Y734 HydrophobicContact CE-CE2 4.38Å; M728-Y734 HydrophobicContact CG-CD2 3.61Å; M728-Y734 HydrophobicContact CG-CE2 3.88Å; Q732-Y734 HydrophobicContact CB-CE2 4.5Å |
| 735 | A | 88.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 33.2 Ų | 33.2 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | F725 S758 | F725-A735 HydrophobicContact CD1-CB 4.13Å; F725-A735 HydrophobicContact CE1-CB 3.98Å; A735-S758 PolarHBondContact N-O 2.86Å; A735-S758 PolarHBondContact O-N 2.79Å |
| 736 | Y | 91 | Very high | 86.6 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117 | 176.5 | -69.7 | -92.5 | 0 | 0 | 0 | 109.5 | V491 I495 A724 I726 V738 V755 K756 Q757 | V491-Y736 HydrophobicContact CG1-CE1 4.41Å; I495-Y736 VanDerWaalsContact CD1-CB 3.45Å; I495-Y736 HydrophobicContact CD1-CD1 4.1Å; I495-Y736 HydrophobicContact CD1-CD2 3.47Å; I495-Y736 VanDerWaalsContact CD1-CD2 3.47Å; I495-Y736 HydrophobicContact CD1-CE2 4.19Å; I495-Y736 HydrophobicContact CD1-CG 3.4Å; I495-Y736 VanDerWaalsContact CD1-CG 3.4Å; A724-Y736 PolarHBondContact N-O 2.79Å; A724-Y736 PolarHBondContact O-N 2.81Å; I726-Y736 HydrophobicContact CB-CE2 4.33Å; I726-Y736 HydrophobicContact CD1-CD2 4.4Å; I726-Y736 HydrophobicContact CD1-CE2 4.14Å; I726-Y736 HydrophobicContact CG1-CE2 4.47Å; Y736-V738 PolarHBondContact O-N 3.37Å; Y736-V755 HydrophobicContact CD1-CB 4.21Å; Y736-V755 HydrophobicContact CD1-CG2 3.82Å; Y736-V755 HydrophobicContact CE1-CG2 4.44Å; Y736-K756 WeakPolarHBondContact CA-O 3.17Å; Y736-Q757 HydrophobicContact CD1-CB 4.13Å; Y736-Q757 HydrophobicContact CD1-CG 4.3Å; Y736-Q757 HydrophobicContact CE1-CB 3.86Å; Y736-Q757 HydrophobicContact CE1-CG 3.72Å |
| 737 | D | 91 | Very high | 85.9 | Confident | 40 Ų | 40 | 44 Ų | 44 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 111.5 | 170.5 | -64.5 | -43.5 | 0 | 0 | 0 | 108.2 | Q723 L739 V755 K756 | Q723-D737 WeakPolarHBondContact CG-OD1 3.3Å; Q723-D737 PolarHBondContact NE2-OD1 2.87Å; D737-L739 HydrophobicContact CB-CD2 4.17Å; D737-L739 PolarHBondContact O-N 3.34Å; D737-V755 CarbonylContact O-C 3.51Å; D737-V755 VanDerWaalsContact O-CA 3.31Å; D737-V755 WeakPolarHBondContact O-CA 3.33Å; D737-K756 HydrophobicContact CB-CB 4.32Å; D737-K756 PolarHBondContact N-O 3.25Å; D737-K756 PolarHBondContact O-N 3.17Å |
| 738 | V | 90.1 | Very high | 85.6 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 101.2 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | K722 A724 Y736 V741 V753 V755 | K722-V738 WeakPolarHBondContact CD-O 3.03Å; K722-V738 PolarHBondContact O-N 2.95Å; A724-V738 HydrophobicContact CB-CG2 4.18Å; Y736-V738 PolarHBondContact O-N 3.37Å; V738-V741 HydrophobicContact CG1-CG2 3.56Å; V738-V753 HydrophobicContact CG1-CG1 3.75Å; V738-V755 HydrophobicContact CG2-CG1 4.19Å |
| 739 | L | 91.2 | Very high | 85.6 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -57.3 | -174 | -56.3 | -173.6 | 0 | 0 | 0 | 110.8 | K722 D737 I754 K756 L763 Y822 | K722-L739 PolarHBondContact NZ-O 2.99Å; D737-L739 HydrophobicContact CB-CD2 4.17Å; D737-L739 PolarHBondContact O-N 3.34Å; L739-I754 HydrophobicContact CB-CB 4.5Å; L739-I754 HydrophobicContact CB-CG2 4.27Å; L739-I754 HydrophobicContact CD1-CG2 4.16Å; L739-I754 PolarHBondContact N-O 2.92Å; L739-K756 HydrophobicContact CD1-CB 4.17Å; L739-K756 HydrophobicContact CD2-CB 4.47Å; L739-K756 HydrophobicContact CG-CB 4.35Å; L739-L763 HydrophobicContact CD1-CD2 3.86Å; L739-L763 HydrophobicContact CD1-CG 4.36Å; L739-Y822 HydrophobicContact CD1-CD1 4.47Å; L739-Y822 HydrophobicContact CD1-CE1 3.87Å; L739-Y822 HydrophobicContact CD1-CE2 4.19Å |
| 740 | H | 90.5 | Very high | 85.9 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 13% | 0.13 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.7 | 175.6 | -77.6 | -102.3 | 0 | 0 | 0 | 110.9 | F742 I754 Y822 W825 L826 H829 | H740-F742 HydrophobicContact CB-CE1 4.29Å; H740-F742 HydrophobicContact CB-CZ 4.16Å; H740-I754 HydrophobicContact CB-CD1 4.48Å; H740-I754 PolarHBondContact N-O 2.74Å; H740-I754 PolarHBondContact O-N 3.47Å; H740-Y822 PolarHBondContact CD2-OH 3.38Å; H740-Y822 VanDerWaalsContact CD2-OH 3.32Å; H740-W825 HydrophobicContact CB-CH2 4.44Å; H740-L826 WeakPolarHBondContact NE2-CD1 3.31Å; H740-H829 AromaticContact CE1-CD2 3.59Å; H740-H829 AromaticContact CE1-NE2 3.98Å; H740-H829 AromaticContact ND1-CD2 3.67Å; H740-H829 AromaticContact ND1-NE2 3.63Å |
| 741 | V | 89 | Confident | 86.4 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.7 | 172.6 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | V738 M751 V753 | V738-V741 HydrophobicContact CG1-CG2 3.56Å; V741-M751 HydrophobicContact CG1-CE 3.64Å; V741-V753 HydrophobicContact CG1-CG2 4.29Å; V741-V753 HydrophobicContact CG2-CG1 4.12Å; V741-V753 HydrophobicContact CG2-CG2 4.37Å |
| 742 | F | 91.1 | Very high | 86.9 | Confident | 14 Ų | 14 | 42 Ų | 42 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 99.3 | 168.9 | -47.2 | -63.9 | 0 | 0 | 0 | 107.5 | H740 R748 M751 S752 I754 L765 W825 H829 A847 I850 E851 | H740-F742 HydrophobicContact CB-CE1 4.29Å; H740-F742 HydrophobicContact CB-CZ 4.16Å; F742-R748 PolarHBondContact O-NH1 3.48Å; F742-M751 WeakPolarHBondContact O-CA 3.25Å; F742-M751 WeakPolarHBondContact O-CG 3.47Å; F742-S752 PolarHBondContact N-O 3.46Å; F742-S752 PolarHBondContact O-N 3.39Å; F742-S752 VanDerWaalsContact O-N 3.09Å; F742-I754 HydrophobicContact CE2-CD1 3.82Å; F742-I754 HydrophobicContact CE2-CG1 3.98Å; F742-I754 HydrophobicContact CZ-CD1 3.85Å; F742-I754 HydrophobicContact CZ-CG1 4.44Å; F742-L765 HydrophobicContact CE2-CD1 4.42Å; F742-W825 AromaticContact CE1-CH2 3.75Å; F742-W825 HydrophobicContact CE1-CH2 3.75Å; F742-W825 AromaticContact CE1-CZ2 3.61Å; F742-W825 HydrophobicContact CE1-CZ2 3.61Å; F742-W825 AromaticContact CZ-CH2 3.46Å; F742-W825 HydrophobicContact CZ-CH2 3.46Å; F742-W825 VanDerWaalsContact CZ-CH2 3.46Å; F742-W825 AromaticContact CZ-CZ2 3.35Å; F742-W825 HydrophobicContact CZ-CZ2 3.35Å; F742-W825 HydrophobicContact CZ-CZ3 4.47Å; F742-H829 AromaticContact CE1-CE1 3.86Å; F742-A847 HydrophobicContact CB-CB 4.39Å; F742-A847 HydrophobicContact CD1-CB 3.7Å; F742-A847 HydrophobicContact CD2-CB 4.46Å; F742-A847 HydrophobicContact CE1-CB 4.07Å; F742-A847 HydrophobicContact CG-CB 3.92Å; F742-I850 HydrophobicContact CE2-CG2 3.97Å; F742-I850 HydrophobicContact CZ-CG2 4.01Å; F742-E851 HydrophobicContact CD2-CG 4.49Å |
| 743 | A | 84.2 | Confident | 87.3 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | trans | -56.9 | 160.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R748 | A743-R748 PolarHBondContact O-NH1 3.38Š| ||
| 744 | F | 84.6 | Confident | 87.7 | Confident | 114 Ų | 114 | 39.9 Ų | 39.9 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | trans | -67 | 142.4 | 171.4 | -179.8 | -95 | 0 | 0 | 0 | 110.6 | M751 | F744-M751 HydrophobicContact CB-CB 4.26Š| ||
| 745 | S | 75.9 | Confident | 88 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | trans | -140 | 155.8 | 162.1 | 106.4 | 0 | 0 | 0 | 0 | 111.1 | E747 R748 R749 | S745-E747 VanDerWaalsContact CB-OE2 3.32Å; S745-E747 WeakPolarHBondContact CB-OE2 3.41Å; S745-E747 PolarHBondContact O-N 2.8Å; S745-E747 PolarHBondContact OG-N 2.88Å; S745-E747 PolarHBondContact OG-OE2 3.28Å; S745-R748 PolarHBondContact O-N 2.96Å; S745-R748 WeakPolarHBondContact OG-CG 3.37Å; S745-R748 PolarHBondContact OG-N 2.62Å; S745-R748 VanDerWaalsContact OG-N 3.14Å; S745-R749 PolarHBondContact O-N 2.81Å | ||
| 746 | P | 69.6 | Low | 88.2 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 59% | 0.591 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31 | 175.2 | -24.3 | 34.5 | 0 | 0 | 0 | 114.2 | R749 | P746-R749 WeakPolarHBondContact O-CG 3.33Š|
| 747 | E | 75.8 | Confident | 88 | Confident | 153 Ų | 153 | 41.8 Ų | 41.8 | 72% | 0.715 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -46.6 | 177.7 | -55.7 | 66.6 | -139.3 | 0 | 0 | 110.3 | S745 | S745-E747 VanDerWaalsContact CB-OE2 3.32Å; S745-E747 WeakPolarHBondContact CB-OE2 3.41Å; S745-E747 PolarHBondContact O-N 2.8Å; S745-E747 PolarHBondContact OG-N 2.88Å; S745-E747 PolarHBondContact OG-OE2 3.28Å |
| 748 | R | 85.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 6% | 0.057 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -37.3 | -178.2 | -62 | -178.3 | 93 | -119.2 | -13 | 114 | F742 A743 S745 R750 E844 E851 | F742-R748 PolarHBondContact O-NH1 3.48Å; A743-R748 PolarHBondContact O-NH1 3.38Å; S745-R748 PolarHBondContact O-N 2.96Å; S745-R748 WeakPolarHBondContact OG-CG 3.37Å; S745-R748 PolarHBondContact OG-N 2.62Å; S745-R748 VanDerWaalsContact OG-N 3.14Å; R748-R750 HydrophobicContact CB-CG 4.37Å; R748-R750 PolarHBondContact NH1-O 3.34Å; R748-R750 PolarHBondContact O-N 2.64Å; R748-R750 VanDerWaalsContact O-N 3.07Å; R748-R750 PolarHBondContact O-NH1 3.03Å; R748-R750 VanDerWaalsContact O-NH1 3.1Å; R748-E844 WeakPolarHBondContact CD-OE2 3.41Å; R748-E844 WeakPolarHBondContact CG-OE2 3.1Å; R748-E844 IonicContact CZ-OE1 2.73Å; R748-E844 VanDerWaalsContact NE-CD 3.25Å; R748-E844 IonicContact NE-OE1 3.49Å; R748-E844 PolarHBondContact NE-OE1 3.22Å; R748-E844 IonicContact NE-OE2 3.4Å; R748-E844 PolarHBondContact NE-OE2 2.72Å; R748-E844 IonicContact NH2-OE1 3.25Å; R748-E844 PolarHBondContact NH2-OE1 3.43Å; R748-E851 IonicContact CZ-OE1 2.81Å; R748-E851 IonicContact CZ-OE2 3.74Å; R748-E851 IonicContact NH1-OE1 2.69Å; R748-E851 IonicContact NH2-OE1 3.64Å; R748-E851 PolarHBondContact NH2-OE1 2.76Å; R748-E851 IonicContact NH2-OE2 3.8Å; R748-E851 PolarHBondContact NH2-OE2 3.16Å |
| 749 | R | 86.7 | Confident | 86.3 | Confident | 143 Ų | 143 | 42.4 Ų | 42.4 | 54% | 0.54 | 22% | 0.22 | S | C | . | . | trans | 55.5 | 16.6 | -174.1 | -54.4 | -177.9 | -177.3 | -174.1 | 3.6 | 115.7 | S745 P746 G769 A770 | S745-R749 PolarHBondContact O-N 2.81Å; P746-R749 WeakPolarHBondContact O-CG 3.33Å; R749-G769 WeakPolarHBondContact O-CA 3.24Å; R749-A770 HydrophobicContact CB-CB 4.18Å; R749-A770 PolarHBondContact O-N 3.06Å | ||
| 750 | R | 92.1 | Very high | 85.3 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.1 | -179.5 | 70.1 | -168.7 | -179.3 | -84.3 | 1.6 | 110.7 | R748 K768 T773 I774 E844 S848 E851 | R748-R750 HydrophobicContact CB-CG 4.37Å; R748-R750 PolarHBondContact NH1-O 3.34Å; R748-R750 PolarHBondContact O-N 2.64Å; R748-R750 VanDerWaalsContact O-N 3.07Å; R748-R750 PolarHBondContact O-NH1 3.03Å; R748-R750 VanDerWaalsContact O-NH1 3.1Å; R750-K768 CarbonylContact C-O 3.55Å; R750-K768 VanDerWaalsContact CA-O 3.25Å; R750-K768 WeakPolarHBondContact CA-O 3.33Å; R750-K768 WeakPolarHBondContact CB-O 3.4Å; R750-T773 HydrophobicContact CB-CG2 4.5Å; R750-I774 HydrophobicContact CB-CD1 4.42Å; R750-E844 IonicContact NH2-OE1 3.94Å; R750-S848 PolarHBondContact NH2-OG 3.26Å; R750-E851 IonicContact CZ-OE2 3.47Å; R750-E851 IonicContact NE-OE1 3.08Å; R750-E851 IonicContact NE-OE2 2.7Å; R750-E851 PolarHBondContact NE-OE2 2.76Å; R750-E851 IonicContact NH2-OE2 2.96Å; R750-E851 PolarHBondContact NH2-OE2 2.94Å |
| 751 | M | 92.8 | Very high | 84.8 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.2 | 169 | -179.7 | -171.9 | -174 | 0 | 0 | 107.7 | T498 E702 V741 F742 F744 V753 K768 | T498-M751 HydrophobicContact CG2-CE 3.89Å; E702-M751 VanDerWaalsContact OE1-SD 3.4Å; V741-M751 HydrophobicContact CG1-CE 3.64Å; F742-M751 WeakPolarHBondContact O-CA 3.25Å; F742-M751 WeakPolarHBondContact O-CG 3.47Å; F744-M751 HydrophobicContact CB-CB 4.26Å; M751-V753 HydrophobicContact CE-CG2 4.29Å; M751-K768 HydrophobicContact CB-CG 4.29Å; M751-K768 PolarHBondContact N-O 3.33Å; M751-K768 PolarHBondContact O-N 2.98Å; M751-K768 VanDerWaalsContact O-O 3.11Å |
| 752 | S | 95.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.6 | 179 | -25.2 | 0 | 0 | 0 | 0 | 111.5 | F742 Y766 C767 E851 | F742-S752 PolarHBondContact N-O 3.46Å; F742-S752 PolarHBondContact O-N 3.39Å; F742-S752 VanDerWaalsContact O-N 3.09Å; S752-Y766 CarbonylContact C-O 3.59Å; S752-Y766 WeakPolarHBondContact CA-O 3.26Å; S752-Y766 VanDerWaalsContact CB-O 3.3Å; S752-Y766 WeakPolarHBondContact CB-O 3.2Å; S752-C767 PolarHBondContact OG-SG 3.3Å; S752-E851 VanDerWaalsContact CB-OE1 3.26Å; S752-E851 WeakPolarHBondContact CB-OE1 3.44Å; S752-E851 VanDerWaalsContact OG-CD 3.31Å; S752-E851 PolarHBondContact OG-OE1 3.35Å |
| 753 | V | 94.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 127.5 | -177 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | C496 V738 V741 M751 V755 Y766 | C496-V753 HydrophobicContact CB-CG2 4.39Å; V738-V753 HydrophobicContact CG1-CG1 3.75Å; V741-V753 HydrophobicContact CG1-CG2 4.29Å; V741-V753 HydrophobicContact CG2-CG1 4.12Å; V741-V753 HydrophobicContact CG2-CG2 4.37Å; M751-V753 HydrophobicContact CE-CG2 4.29Å; V753-V755 HydrophobicContact CG1-CG1 3.66Å; V753-Y766 PolarHBondContact N-O 2.85Å; V753-Y766 PolarHBondContact O-N 2.95Å |
| 754 | I | 95.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.5 | 169.7 | -57.3 | 174 | 0 | 0 | 0 | 107.6 | L739 H740 F742 F764 L765 Y822 W825 I850 | L739-I754 HydrophobicContact CB-CB 4.5Å; L739-I754 HydrophobicContact CB-CG2 4.27Å; L739-I754 HydrophobicContact CD1-CG2 4.16Å; L739-I754 PolarHBondContact N-O 2.92Å; H740-I754 HydrophobicContact CB-CD1 4.48Å; H740-I754 PolarHBondContact N-O 2.74Å; H740-I754 PolarHBondContact O-N 3.47Å; F742-I754 HydrophobicContact CE2-CD1 3.82Å; F742-I754 HydrophobicContact CE2-CG1 3.98Å; F742-I754 HydrophobicContact CZ-CD1 3.85Å; F742-I754 HydrophobicContact CZ-CG1 4.44Å; I754-F764 WeakPolarHBondContact CA-O 3.34Å; I754-L765 HydrophobicContact CG1-CD1 3.74Å; I754-Y822 HydrophobicContact CD1-CD2 4.16Å; I754-Y822 HydrophobicContact CD1-CE2 3.95Å; I754-Y822 HydrophobicContact CG2-CD2 4.08Å; I754-Y822 HydrophobicContact CG2-CE2 3.94Å; I754-W825 HydrophobicContact CD1-CE3 4.39Å; I754-W825 HydrophobicContact CD1-CH2 4.31Å; I754-W825 HydrophobicContact CD1-CZ3 4.06Å; I754-I850 HydrophobicContact CD1-CD1 3.71Å; I754-I850 HydrophobicContact CD1-CG1 4.47Å |
| 755 | V | 93.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.6 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | I495 Y736 D737 V738 V753 L763 F764 Y766 | I495-V755 HydrophobicContact CG2-CG1 3.8Å; Y736-V755 HydrophobicContact CD1-CB 4.21Å; Y736-V755 HydrophobicContact CD1-CG2 3.82Å; Y736-V755 HydrophobicContact CE1-CG2 4.44Å; D737-V755 CarbonylContact O-C 3.51Å; D737-V755 VanDerWaalsContact O-CA 3.31Å; D737-V755 WeakPolarHBondContact O-CA 3.33Å; V738-V755 HydrophobicContact CG2-CG1 4.19Å; V753-V755 HydrophobicContact CG1-CG1 3.66Å; V755-L763 WeakPolarHBondContact O-CA 3.36Å; V755-F764 HydrophobicContact CG2-CB 4.19Å; V755-F764 PolarHBondContact N-O 2.72Å; V755-F764 PolarHBondContact O-N 2.88Å; V755-Y766 HydrophobicContact CG2-CD2 3.73Å; V755-Y766 HydrophobicContact CG2-CE2 3.64Å |
| 756 | K | 92.4 | Very high | 86.7 | Confident | 49 Ų | 49 | 36.7 Ų | 36.7 | 21% | 0.213 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.9 | 171.1 | -178.1 | -173.3 | 172 | -123.4 | 0 | 109.5 | Y736 D737 L739 N761 Q762 L763 | Y736-K756 WeakPolarHBondContact CA-O 3.17Å; D737-K756 HydrophobicContact CB-CB 4.32Å; D737-K756 PolarHBondContact N-O 3.25Å; D737-K756 PolarHBondContact O-N 3.17Å; L739-K756 HydrophobicContact CD1-CB 4.17Å; L739-K756 HydrophobicContact CD2-CB 4.47Å; L739-K756 HydrophobicContact CG-CB 4.35Å; K756-N761 WeakPolarHBondContact CE-OD1 3.39Å; K756-N761 PolarHBondContact NZ-OD1 3.5Å; K756-Q762 WeakPolarHBondContact CA-O 3.44Å; K756-L763 HydrophobicContact CB-CG 4.24Å; K756-L763 HydrophobicContact CD-CD1 4.33Å; K756-L763 HydrophobicContact CG-CD1 4.07Å; K756-L763 HydrophobicContact CG-CG 4.3Å |
| 757 | Q | 87.6 | Confident | 88 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.4 | -177.3 | -169.1 | 174.5 | -23.6 | 0 | 0 | 111.3 | N536 Y736 P759 N761 Q762 | N536-Q757 PolarHBondContact OD1-NE2 2.67Å; Y736-Q757 HydrophobicContact CD1-CB 4.13Å; Y736-Q757 HydrophobicContact CD1-CG 4.3Å; Y736-Q757 HydrophobicContact CE1-CB 3.86Å; Y736-Q757 HydrophobicContact CE1-CG 3.72Å; Q757-P759 CarbonylContact C-O 3.43Å; Q757-P759 VanDerWaalsContact C-O 3.3Å; Q757-P759 WeakPolarHBondContact CG-O 3.47Å; Q757-N761 WeakPolarHBondContact O-CA 3.36Å; Q757-N761 PolarHBondContact O-N 3.46Å; Q757-Q762 PolarHBondContact N-O 3.35Å |
| 758 | S | 80.8 | Confident | 88.9 | Confident | 35 Ų | 35 | 25.8 Ų | 25.8 | 25% | 0.245 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122 | 171.2 | -69.5 | 0 | 0 | 0 | 0 | 109.6 | A735 | A735-S758 PolarHBondContact N-O 2.86Å; A735-S758 PolarHBondContact O-N 2.79Å |
| 759 | P | 64.3 | Low | 89.3 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 20% | 0.195 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -68.8 | 179 | -1 | 31.8 | -37.2 | 0 | 0 | 0 | 113.4 | A533 N536 Q757 | A533-P759 WeakPolarHBondContact O-CD 3.35Å; N536-P759 PolarHBondContact OD1-O 3.39Å; Q757-P759 CarbonylContact C-O 3.43Å; Q757-P759 VanDerWaalsContact C-O 3.3Å; Q757-P759 WeakPolarHBondContact CG-O 3.47Å |
| 760 | G | 69.7 | Low | 89.4 | Confident | 41 Ų | 41 | 19.6 Ų | 19.6 | 42% | 0.423 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | -26.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q762 | G760-Q762 PolarHBondContact O-N 3.1Š|
| 761 | N | 79.6 | Confident | 89.1 | Confident | 104 Ų | 104 | 21.2 Ų | 21.2 | 56% | 0.556 | 13% | 0.126 | S | C | * | . | trans | 60.3 | -2.2 | 179.5 | -87.6 | -21.8 | 0 | 0 | 0 | 116.7 | K756 Q757 L763 | K756-N761 WeakPolarHBondContact CE-OD1 3.39Å; K756-N761 PolarHBondContact NZ-OD1 3.5Å; Q757-N761 WeakPolarHBondContact O-CA 3.36Å; Q757-N761 PolarHBondContact O-N 3.46Å; N761-L763 WeakPolarHBondContact O-CD1 3.39Å | ||
| 762 | Q | 86.4 | Confident | 88.8 | Confident | 65 Ų | 65 | 25.3 Ų | 25.3 | 30% | 0.304 | 15% | 0.151 | S | C | . | . | trans | -62.2 | 146.2 | 179.1 | -59.6 | -170.4 | 9.3 | 0 | 0 | 111.9 | E539 K756 Q757 G760 F764 | E539-Q762 PolarHBondContact OE1-NE2 3.48Å; K756-Q762 WeakPolarHBondContact CA-O 3.44Å; Q757-Q762 PolarHBondContact N-O 3.35Å; G760-Q762 PolarHBondContact O-N 3.1Å; Q762-F764 HydrophobicContact CB-CE2 3.93Å; Q762-F764 HydrophobicContact CB-CZ 4.25Å | ||
| 763 | L | 92.9 | Very high | 88.6 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.2 | 175.7 | -77.3 | 78 | 0 | 0 | 0 | 110.3 | L739 V755 K756 N761 I817 M819 Y822 | L739-L763 HydrophobicContact CD1-CD2 3.86Å; L739-L763 HydrophobicContact CD1-CG 4.36Å; V755-L763 WeakPolarHBondContact O-CA 3.36Å; K756-L763 HydrophobicContact CB-CG 4.24Å; K756-L763 HydrophobicContact CD-CD1 4.33Å; K756-L763 HydrophobicContact CG-CD1 4.07Å; K756-L763 HydrophobicContact CG-CG 4.3Å; N761-L763 WeakPolarHBondContact O-CD1 3.39Å; L763-I817 PolarHBondContact O-N 2.8Å; L763-M819 HydrophobicContact CD1-SD 3.81Å; L763-M819 HydrophobicContact CD2-SD 4.04Å; L763-Y822 HydrophobicContact CD2-CD1 3.72Å; L763-Y822 HydrophobicContact CD2-CD2 4.1Å; L763-Y822 HydrophobicContact CD2-CE1 4.43Å; L763-Y822 HydrophobicContact CD2-CG 3.54Å |
| 764 | F | 94.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.1 | 174.7 | -64 | -77.6 | 0 | 0 | 0 | 110.4 | H488 I754 V755 Q762 Y766 R815 S816 | H488-F764 AromaticContact CE1-CE1 3.5Å; H488-F764 VanDerWaalsContact CE1-CE1 3.5Å; H488-F764 WeakPolarHBondContact CE1-CE1 3.25Å; H488-F764 AromaticContact CE1-CZ 3.62Å; I754-F764 WeakPolarHBondContact CA-O 3.34Å; V755-F764 HydrophobicContact CG2-CB 4.19Å; V755-F764 PolarHBondContact N-O 2.72Å; V755-F764 PolarHBondContact O-N 2.88Å; Q762-F764 HydrophobicContact CB-CE2 3.93Å; Q762-F764 HydrophobicContact CB-CZ 4.25Å; F764-Y766 HydrophobicContact CB-CD2 4.35Å; F764-Y766 HydrophobicContact CB-CE2 3.94Å; F764-R815 WeakPolarHBondContact CA-O 3.4Å; F764-S816 WeakPolarHBondContact CE1-OG 3.24Å |
| 765 | L | 96.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 116.9 | 157.7 | 173.6 | 68.5 | 0 | 0 | 0 | 108 | F742 I754 K814 R815 I817 I850 E851 L854 | F742-L765 HydrophobicContact CE2-CD1 4.42Å; I754-L765 HydrophobicContact CG1-CD1 3.74Å; L765-K814 CarbonylContact O-C 3.57Å; L765-K814 WeakPolarHBondContact O-CA 3.06Å; L765-R815 HydrophobicContact CB-CB 4.44Å; L765-R815 PolarHBondContact N-O 2.91Å; L765-R815 PolarHBondContact O-N 3Å; L765-I817 HydrophobicContact CB-CD1 3.6Å; L765-I817 HydrophobicContact CB-CG1 4.29Å; L765-I817 HydrophobicContact CD2-CD1 4.25Å; L765-I850 WeakPolarHBondContact CD2-O 3.4Å; L765-E851 HydrophobicContact CD2-CG 4.22Å; L765-L854 HydrophobicContact CD2-CD2 3.82Å |
| 766 | Y | 96.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136.8 | 166.5 | -70.4 | -63.2 | 0 | 0 | 0 | 109.4 | H488 V491 N492 I495 S752 V753 V755 F764 K814 | H488-Y766 HydrophobicContact CB-CE1 4.4Å; H488-Y766 AromaticContact ND1-CE1 3.88Å; H488-Y766 AromaticContact ND1-CZ 3.81Å; H488-Y766 PolarHBondContact ND1-OH 2.88Å; V491-Y766 HydrophobicContact CG1-CE2 3.86Å; V491-Y766 WeakPolarHBondContact CG1-OH 3.18Å; N492-Y766 HydrophobicContact CB-CD1 3.61Å; N492-Y766 HydrophobicContact CB-CE1 4.11Å; N492-Y766 HydrophobicContact CB-CG 4.11Å; I495-Y766 HydrophobicContact CG2-CD2 4.09Å; S752-Y766 CarbonylContact C-O 3.59Å; S752-Y766 WeakPolarHBondContact CA-O 3.26Å; S752-Y766 VanDerWaalsContact CB-O 3.3Å; S752-Y766 WeakPolarHBondContact CB-O 3.2Å; V753-Y766 PolarHBondContact N-O 2.85Å; V753-Y766 PolarHBondContact O-N 2.95Å; V755-Y766 HydrophobicContact CG2-CD2 3.73Å; V755-Y766 HydrophobicContact CG2-CE2 3.64Å; F764-Y766 HydrophobicContact CB-CD2 4.35Å; F764-Y766 HydrophobicContact CB-CE2 3.94Å; Y766-K814 HydrophobicContact CD1-CB 4.15Å; Y766-K814 HydrophobicContact CE1-CB 4.15Å |
| 767 | C | 96.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.5 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | N492 S752 I774 A813 L854 | N492-C767 PolarHBondContact ND2-O 2.86Å; N492-C767 VanDerWaalsContact ND2-O 3.12Å; S752-C767 PolarHBondContact OG-SG 3.3Å; C767-I774 WeakPolarHBondContact SG-CD1 3.33Å; C767-A813 PolarHBondContact N-O 2.76Å; C767-A813 PolarHBondContact O-N 2.8Å; C767-L854 HydrophobicContact CB-CD1 3.89Å |
| 768 | K | 95.1 | Very high | 88.9 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.2 | 167.7 | 76.2 | -177.4 | -178.2 | -168.2 | 0 | 110.6 | C496 E702 R750 M751 C811 L812 | C496-K768 VanDerWaalsContact O-CD 3.29Å; C496-K768 WeakPolarHBondContact O-CD 3.49Å; C496-K768 WeakPolarHBondContact O-CE 3.45Å; C496-K768 PolarHBondContact O-NZ 2.9Å; E702-K768 IonicContact OE1-NZ 2.74Å; E702-K768 PolarHBondContact OE1-NZ 3.3Å; R750-K768 CarbonylContact C-O 3.55Å; R750-K768 VanDerWaalsContact CA-O 3.25Å; R750-K768 WeakPolarHBondContact CA-O 3.33Å; R750-K768 WeakPolarHBondContact CB-O 3.4Å; M751-K768 HydrophobicContact CB-CG 4.29Å; M751-K768 PolarHBondContact N-O 3.33Å; M751-K768 PolarHBondContact O-N 2.98Å; M751-K768 VanDerWaalsContact O-O 3.11Å; K768-C811 VanDerWaalsContact CA-O 3.28Å; K768-C811 WeakPolarHBondContact CA-O 3.34Å; K768-L812 HydrophobicContact CB-CD2 3.64Å |
| 769 | G | 92.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | -172.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | R749 C811 | R749-G769 WeakPolarHBondContact O-CA 3.24Å; G769-C811 PolarHBondContact N-O 2.93Å; G769-C811 PolarHBondContact O-N 3Å |
| 770 | A | 88.9 | Confident | 90.7 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 21% | 0.207 | 21% | 0.21 | C | C | . | . | trans | -61.7 | 140.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R749 T772 T773 I774 | R749-A770 HydrophobicContact CB-CB 4.18Å; R749-A770 PolarHBondContact O-N 3.06Å; A770-T772 VanDerWaalsContact C-N 3.33Å; A770-T772 PolarHBondContact O-N 3.19Å; A770-T773 WeakPolarHBondContact O-CA 3.48Å; A770-T773 WeakPolarHBondContact O-CB 3.35Å; A770-T773 PolarHBondContact O-N 3.36Å; A770-I774 PolarHBondContact O-N 2.98Å | ||
| 771 | D | 86.2 | Confident | 91.7 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -49.2 | -49.7 | 178.3 | 67.5 | -36 | 0 | 0 | 0 | 113.2 | T773 I774 F775 L799 | D771-T773 PolarHBondContact O-N 3.32Å; D771-I774 PolarHBondContact O-N 2.64Å; D771-F775 HydrophobicContact CB-CD2 4.19Å; D771-F775 HydrophobicContact CB-CE2 4.03Å; D771-F775 WeakPolarHBondContact O-CB 3.29Å; D771-F775 WeakPolarHBondContact O-CD2 3.44Å; D771-F775 PolarHBondContact O-N 2.99Å; D771-L799 HydrophobicContact CB-CD1 3.77Å; D771-L799 HydrophobicContact CB-CD2 4.29Å |
| 772 | T | 86.4 | Confident | 92.1 | Very high | 88 Ų | 88 | 40 Ų | 40 | 54% | 0.54 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.7 | -16.7 | 177 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | A770 | A770-T772 VanDerWaalsContact C-N 3.33Å; A770-T772 PolarHBondContact O-N 3.19Å |
| 773 | T | 90.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 39 Ų | 39 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -104.2 | -43 | 177.1 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | R750 A770 D771 T776 L777 | R750-T773 HydrophobicContact CB-CG2 4.5Å; A770-T773 WeakPolarHBondContact O-CA 3.48Å; A770-T773 WeakPolarHBondContact O-CB 3.35Å; A770-T773 PolarHBondContact O-N 3.36Å; D771-T773 PolarHBondContact O-N 3.32Å; T773-T776 PolarHBondContact O-N 2.79Å; T773-T776 PolarHBondContact O-OG1 3.27Å; T773-L777 HydrophobicContact CG2-CD1 4.46Å; T773-L777 WeakPolarHBondContact O-CG 3.46Å |
| 774 | I | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 179.8 | -60.9 | -57.4 | 0 | 0 | 0 | 111.2 | R750 C767 A770 D771 T776 L777 L778 C811 A813 L856 | R750-I774 HydrophobicContact CB-CD1 4.42Å; C767-I774 WeakPolarHBondContact SG-CD1 3.33Å; A770-I774 PolarHBondContact O-N 2.98Å; D771-I774 PolarHBondContact O-N 2.64Å; I774-T776 PolarHBondContact O-N 2.8Å; I774-L777 PolarHBondContact O-N 2.9Å; I774-L777 VanDerWaalsContact O-N 3.07Å; I774-L778 HydrophobicContact CG2-CD2 4.39Å; I774-C811 HydrophobicContact CB-CB 3.82Å; I774-C811 HydrophobicContact CG1-CB 3.88Å; I774-C811 HydrophobicContact CG2-CB 3.87Å; I774-A813 HydrophobicContact CG2-CB 4.09Å; I774-L856 HydrophobicContact CG2-CD1 4.26Å |
| 775 | F | 93 | Very high | 91.9 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.7 | 178.5 | -75.5 | -55.9 | 0 | 0 | 0 | 114.5 | D771 L778 I792 K796 L799 L856 | D771-F775 HydrophobicContact CB-CD2 4.19Å; D771-F775 HydrophobicContact CB-CE2 4.03Å; D771-F775 WeakPolarHBondContact O-CB 3.29Å; D771-F775 WeakPolarHBondContact O-CD2 3.44Å; D771-F775 PolarHBondContact O-N 2.99Å; F775-L778 HydrophobicContact CD1-CD1 3.9Å; F775-I792 HydrophobicContact CD1-CG2 4.26Å; F775-I792 HydrophobicContact CE1-CG1 4.38Å; F775-I792 HydrophobicContact CE1-CG2 3.94Å; F775-K796 HydrophobicContact CD2-CG 4.45Å; F775-K796 HydrophobicContact CE1-CG 4.11Å; F775-K796 HydrophobicContact CE2-CD 4.31Å; F775-K796 HydrophobicContact CE2-CG 3.62Å; F775-K796 HydrophobicContact CZ-CD 4.25Å; F775-K796 HydrophobicContact CZ-CG 3.43Å; F775-K796 VanDerWaalsContact CZ-CG 3.43Å; F775-L799 HydrophobicContact CE2-CD1 3.48Å; F775-L799 VanDerWaalsContact CE2-CD1 3.48Å; F775-L799 HydrophobicContact CZ-CD1 3.74Å; F775-L856 HydrophobicContact CE1-CD2 3.95Å |
| 776 | T | 93.2 | Very high | 91.5 | Very high | 110 Ų | 110 | 58.2 Ų | 58.2 | 68% | 0.675 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.4 | 176 | 57 | 0 | 0 | 0 | 0 | 113.6 | T773 I774 | T773-T776 PolarHBondContact O-N 2.79Å; T773-T776 PolarHBondContact O-OG1 3.27Å; I774-T776 PolarHBondContact O-N 2.8Å |
| 777 | L | 95 | Very high | 91 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -108 | -1.3 | -177.8 | -65.1 | 174.7 | 0 | 0 | 0 | 113.2 | T773 I774 D853 L854 | T773-L777 HydrophobicContact CG2-CD1 4.46Å; T773-L777 WeakPolarHBondContact O-CG 3.46Å; I774-L777 PolarHBondContact O-N 2.9Å; I774-L777 VanDerWaalsContact O-N 3.07Å; L777-D853 PolarHBondContact O-N 3.37Å; L777-L854 HydrophobicContact CB-CD1 3.87Å; L777-L854 HydrophobicContact CB-CG 4.29Å; L777-L854 HydrophobicContact CD1-CD1 4.46Å; L777-L854 PolarHBondContact O-N 2.89Å |
| 778 | L | 94.7 | Very high | 90.5 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 146.5 | 178.5 | -58.7 | -177.1 | 0 | 0 | 0 | 111.9 | I774 F775 F782 I792 L854 L856 | I774-L778 HydrophobicContact CG2-CD2 4.39Å; F775-L778 HydrophobicContact CD1-CD1 3.9Å; L778-F782 HydrophobicContact CD1-CD1 4.38Å; L778-F782 HydrophobicContact CD1-CE1 4.34Å; L778-I792 HydrophobicContact CD1-CD1 3.76Å; L778-I792 HydrophobicContact CD1-CG1 4.01Å; L778-L854 CarbonylContact C-O 3.58Å; L778-L854 VanDerWaalsContact CA-O 3.23Å; L778-L854 WeakPolarHBondContact CA-O 3.45Å; L778-L854 HydrophobicContact CD2-CB 4.22Å; L778-L856 HydrophobicContact CD1-CB 4.16Å; L778-L856 HydrophobicContact CD2-CB 4Å |
| 779 | S | 93.6 | Very high | 90.3 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | trans | -70.5 | 146.2 | 177.4 | 76.4 | 0 | 0 | 0 | 0 | 112 | K781 F782 C783 D853 L854 | S779-K781 VanDerWaalsContact C-N 3.34Å; S779-K781 PolarHBondContact O-N 3.43Å; S779-F782 PolarHBondContact O-N 2.87Å; S779-F782 VanDerWaalsContact OG-CB 3.22Å; S779-F782 WeakPolarHBondContact OG-CB 3.18Å; S779-F782 PolarHBondContact OG-N 3.25Å; S779-C783 PolarHBondContact O-N 2.88Å; S779-C783 PolarHBondContact O-SG 2.76Å; S779-C783 VanDerWaalsContact O-SG 3.4Å; S779-D853 WeakPolarHBondContact CA-OD1 3.4Å; S779-L854 PolarHBondContact N-O 3.23Å | ||
| 780 | K | 90.6 | Very high | 90.2 | Very high | 156 Ų | 156 | 71.7 Ų | 71.7 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.5 | -46.6 | 174.1 | -70.1 | -169.4 | 179 | -173.9 | 0 | 111.8 | F782 C783 E784 | K780-F782 VanDerWaalsContact C-N 3.27Å; K780-F782 PolarHBondContact O-N 2.79Å; K780-C783 PolarHBondContact O-N 3.36Å; K780-E784 WeakPolarHBondContact O-CB 3.32Å; K780-E784 WeakPolarHBondContact O-CG 3.45Å; K780-E784 PolarHBondContact O-N 3.36Å |
| 781 | K | 89.6 | Confident | 90.2 | Very high | 186 Ų | 186 | 70.7 Ų | 70.7 | 81% | 0.809 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -54.3 | -42 | 176.9 | -174.6 | 178.3 | 179.6 | -179.4 | 0 | 112 | S779 S785 | S779-K781 VanDerWaalsContact C-N 3.34Å; S779-K781 PolarHBondContact O-N 3.43Å; K781-S785 WeakPolarHBondContact O-CB 3.12Å; K781-S785 PolarHBondContact O-N 2.84Å |
| 782 | F | 89.1 | Confident | 90.5 | Very high | 15 Ų | 15 | 69.2 Ų | 69.2 | 7% | 0.066 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.4 | -52 | 173.6 | -179.7 | -96.8 | 0 | 0 | 0 | 111.3 | L778 S779 K780 E784 S785 G788 I792 E855 L856 | L778-F782 HydrophobicContact CD1-CD1 4.38Å; L778-F782 HydrophobicContact CD1-CE1 4.34Å; S779-F782 PolarHBondContact O-N 2.87Å; S779-F782 VanDerWaalsContact OG-CB 3.22Å; S779-F782 WeakPolarHBondContact OG-CB 3.18Å; S779-F782 PolarHBondContact OG-N 3.25Å; K780-F782 VanDerWaalsContact C-N 3.27Å; K780-F782 PolarHBondContact O-N 2.79Å; F782-E784 VanDerWaalsContact C-N 3.26Å; F782-E784 PolarHBondContact O-N 3.38Å; F782-S785 WeakPolarHBondContact O-CB 3.41Å; F782-S785 PolarHBondContact O-N 3.02Å; F782-S785 VanDerWaalsContact O-N 3.1Å; F782-S785 PolarHBondContact O-OG 2.86Å; F782-G788 WeakPolarHBondContact O-CA 3.33Å; F782-I792 HydrophobicContact CD1-CD1 4.17Å; F782-I792 HydrophobicContact CE1-CD1 3.97Å; F782-I792 HydrophobicContact CE1-CG1 4.09Å; F782-E855 HydrophobicContact CB-CG 4.37Å; F782-E855 HydrophobicContact CD2-CB 3.98Å; F782-E855 HydrophobicContact CD2-CG 4.04Å; F782-E855 HydrophobicContact CE2-CB 4.26Å; F782-E855 HydrophobicContact CG-CB 4.4Å; F782-E855 HydrophobicContact CG-CG 4.37Å; F782-L856 HydrophobicContact CE1-CB 3.61Å; F782-L856 HydrophobicContact CZ-CB 3.78Å |
| 783 | C | 88.1 | Confident | 90.8 | Very high | 46 Ų | 46 | 73 Ų | 73 | 31% | 0.311 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.9 | -29.9 | -178 | -71.7 | 0 | 0 | 0 | 0 | 114.8 | S779 K780 I789 I792 | S779-C783 PolarHBondContact O-N 2.88Å; S779-C783 PolarHBondContact O-SG 2.76Å; S779-C783 VanDerWaalsContact O-SG 3.4Å; K780-C783 PolarHBondContact O-N 3.36Å; C783-I789 WeakPolarHBondContact O-CG1 3.21Å; C783-I792 HydrophobicContact CB-CD1 4.28Å |
| 784 | E | 89.9 | Confident | 90.9 | Very high | 139 Ų | 139 | 75.8 Ų | 75.8 | 65% | 0.65 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -90 | -17.5 | 179 | -69 | 156.5 | -164.7 | 0 | 0 | 112.3 | K780 F782 I789 | K780-E784 WeakPolarHBondContact O-CB 3.32Å; K780-E784 WeakPolarHBondContact O-CG 3.45Å; K780-E784 PolarHBondContact O-N 3.36Å; F782-E784 VanDerWaalsContact C-N 3.26Å; F782-E784 PolarHBondContact O-N 3.38Å; E784-I789 WeakPolarHBondContact O-CD1 3.01Å |
| 785 | S | 90 | Very high | 90.8 | Very high | 41 Ų | 41 | 75.9 Ų | 75.9 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -67.1 | 145.6 | 176.3 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | K781 F782 R787 G788 I789 | K781-S785 WeakPolarHBondContact O-CB 3.12Å; K781-S785 PolarHBondContact O-N 2.84Å; F782-S785 WeakPolarHBondContact O-CB 3.41Å; F782-S785 PolarHBondContact O-N 3.02Å; F782-S785 VanDerWaalsContact O-N 3.1Å; F782-S785 PolarHBondContact O-OG 2.86Å; S785-R787 PolarHBondContact O-N 2.92Å; S785-R787 VanDerWaalsContact O-N 3.12Å; S785-G788 PolarHBondContact O-N 3.44Å; S785-G788 VanDerWaalsContact O-N 3.09Å; S785-G788 PolarHBondContact OG-N 3Å; S785-I789 WeakPolarHBondContact O-CG1 3.44Å; S785-I789 PolarHBondContact O-N 3.35Å |
| 786 | R | 87.3 | Confident | 90.7 | Very high | 233 Ų | 233 | 79 Ų | 79 | 88% | 0.879 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -53 | -36.6 | 177.1 | -172.9 | 177.3 | -178.8 | 177.3 | 0.7 | 112.8 | Y790 | R786-Y790 PolarHBondContact O-N 3.06Å |
| 787 | R | 86 | Confident | 90.6 | Very high | 93 Ų | 93 | 75.5 Ų | 75.5 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.8 | -56.4 | 174.3 | -175.7 | -179.3 | -175.8 | -178.9 | 4.2 | 111.2 | D424 D482 S785 I789 Y790 C791 | D424-R787 IonicContact OD1-CZ 3.53Å; D424-R787 IonicContact OD1-NE 3.38Å; D424-R787 PolarHBondContact OD1-NE 3.32Å; D424-R787 IonicContact OD1-NH2 3.98Å; D424-R787 PolarHBondContact OD1-NH2 3.37Å; D424-R787 IonicContact OD2-CZ 3.63Å; D424-R787 IonicContact OD2-NE 2.82Å; D424-R787 IonicContact OD2-NH2 2.86Å; D424-R787 PolarHBondContact OD2-NH2 3.29Å; D482-R787 IonicContact OD2-CZ 3.47Å; D482-R787 VanDerWaalsContact OD2-CZ 3.3Å; D482-R787 IonicContact OD2-NH1 3.7Å; D482-R787 PolarHBondContact OD2-NH1 3.39Å; D482-R787 IonicContact OD2-NH2 3.98Å; D482-R787 PolarHBondContact OD2-NH2 2.91Å; S785-R787 PolarHBondContact O-N 2.92Å; S785-R787 VanDerWaalsContact O-N 3.12Å; R787-I789 VanDerWaalsContact C-N 3.34Å; R787-I789 PolarHBondContact O-N 2.92Å; R787-Y790 WeakPolarHBondContact O-CA 3.43Å; R787-Y790 WeakPolarHBondContact O-CB 3.25Å; R787-Y790 PolarHBondContact O-N 3.34Å; R787-C791 PolarHBondContact O-N 2.83Å; R787-C791 PolarHBondContact O-SG 3.06Å |
| 788 | G | 87 | Confident | 90.4 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F782 S785 Y790 C791 I792 | F782-G788 WeakPolarHBondContact O-CA 3.33Å; S785-G788 PolarHBondContact O-N 3.44Å; S785-G788 VanDerWaalsContact O-N 3.09Å; S785-G788 PolarHBondContact OG-N 3Å; G788-Y790 VanDerWaalsContact C-N 3.33Å; G788-Y790 PolarHBondContact O-N 3.21Å; G788-C791 PolarHBondContact O-N 3.44Å; G788-I792 WeakPolarHBondContact O-CB 3.45Å; G788-I792 WeakPolarHBondContact O-CD1 3.32Å; G788-I792 WeakPolarHBondContact O-CG1 3.14Å; G788-I792 PolarHBondContact O-N 3.1Å |
| 789 | I | 90 | Very high | 90.1 | Very high | 94 Ų | 94 | 76.3 Ų | 76.3 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56 | -47.8 | 172.3 | -66.2 | 171 | 0 | 0 | 0 | 110.8 | C783 E784 S785 R787 K793 | C783-I789 WeakPolarHBondContact O-CG1 3.21Å; E784-I789 WeakPolarHBondContact O-CD1 3.01Å; S785-I789 WeakPolarHBondContact O-CG1 3.44Å; S785-I789 PolarHBondContact O-N 3.35Å; R787-I789 VanDerWaalsContact C-N 3.34Å; R787-I789 PolarHBondContact O-N 2.92Å; I789-K793 VanDerWaalsContact O-CB 3.23Å; I789-K793 WeakPolarHBondContact O-CB 3.39Å; I789-K793 PolarHBondContact O-N 3.25Å; I789-K793 VanDerWaalsContact O-N 3.1Å |
| 790 | Y | 90.6 | Very high | 89.5 | Confident | 115 Ų | 115 | 82.7 Ų | 82.7 | 45% | 0.451 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64 | -52.7 | 178 | 174.6 | -97.4 | 0 | 0 | 0 | 112 | R786 R787 G788 I792 K793 K794 | R786-Y790 PolarHBondContact O-N 3.06Å; R787-Y790 WeakPolarHBondContact O-CA 3.43Å; R787-Y790 WeakPolarHBondContact O-CB 3.25Å; R787-Y790 PolarHBondContact O-N 3.34Å; G788-Y790 VanDerWaalsContact C-N 3.33Å; G788-Y790 PolarHBondContact O-N 3.21Å; Y790-I792 PolarHBondContact O-N 2.78Å; Y790-K793 PolarHBondContact O-N 2.96Å; Y790-K794 HydrophobicContact CD1-CG 4.45Å; Y790-K794 HydrophobicContact CD2-CG 4.27Å; Y790-K794 HydrophobicContact CE1-CG 4.07Å; Y790-K794 HydrophobicContact CE2-CD 4.33Å; Y790-K794 HydrophobicContact CE2-CG 3.87Å; Y790-K794 WeakPolarHBondContact O-CB 3.44Å; Y790-K794 WeakPolarHBondContact O-CG 3.13Å; Y790-K794 PolarHBondContact O-N 3.47Å; Y790-K794 WeakPolarHBondContact OH-CE 3.36Å |
| 791 | C | 89.4 | Confident | 89.2 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | -176.5 | -57.6 | 0 | 0 | 0 | 0 | 112 | D424 R787 G788 T795 | D424-C791 PolarHBondContact O-SG 2.77Å; D424-C791 PolarHBondContact OD1-SG 2.63Å; D424-C791 VanDerWaalsContact OD1-SG 3.39Å; R787-C791 PolarHBondContact O-N 2.83Å; R787-C791 PolarHBondContact O-SG 3.06Å; G788-C791 PolarHBondContact O-N 3.44Å; C791-T795 WeakPolarHBondContact O-CB 3.5Å; C791-T795 PolarHBondContact O-N 3.34Å; C791-T795 PolarHBondContact O-OG1 3.13Å |
| 792 | I | 92.1 | Very high | 89 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 176.3 | -67.8 | 165.8 | 0 | 0 | 0 | 110.3 | F775 L778 F782 C783 G788 Y790 K796 L856 | F775-I792 HydrophobicContact CD1-CG2 4.26Å; F775-I792 HydrophobicContact CE1-CG1 4.38Å; F775-I792 HydrophobicContact CE1-CG2 3.94Å; L778-I792 HydrophobicContact CD1-CD1 3.76Å; L778-I792 HydrophobicContact CD1-CG1 4.01Å; F782-I792 HydrophobicContact CD1-CD1 4.17Å; F782-I792 HydrophobicContact CE1-CD1 3.97Å; F782-I792 HydrophobicContact CE1-CG1 4.09Å; C783-I792 HydrophobicContact CB-CD1 4.28Å; G788-I792 WeakPolarHBondContact O-CB 3.45Å; G788-I792 WeakPolarHBondContact O-CD1 3.32Å; G788-I792 WeakPolarHBondContact O-CG1 3.14Å; G788-I792 PolarHBondContact O-N 3.1Å; Y790-I792 PolarHBondContact O-N 2.78Å; I792-K796 HydrophobicContact CG2-CD 4.13Å; I792-K796 WeakPolarHBondContact O-CB 3.47Å; I792-K796 WeakPolarHBondContact O-CG 3.46Å; I792-K796 PolarHBondContact O-N 2.93Å; I792-L856 HydrophobicContact CG1-CD2 4.14Å |
| 793 | K | 92.7 | Very high | 88.2 | Confident | 169 Ų | 169 | 71.9 Ų | 71.9 | 74% | 0.735 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 178.8 | -175 | 174.5 | -178.3 | 176.1 | 0 | 111.9 | I789 Y790 G797 | I789-K793 VanDerWaalsContact O-CB 3.23Å; I789-K793 WeakPolarHBondContact O-CB 3.39Å; I789-K793 PolarHBondContact O-N 3.25Å; I789-K793 VanDerWaalsContact O-N 3.1Å; Y790-K793 PolarHBondContact O-N 2.96Å; K793-G797 PolarHBondContact O-N 2.89Å |
| 794 | K | 93.4 | Very high | 87.4 | Confident | 78 Ų | 78 | 74 Ų | 74 | 34% | 0.339 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -52.4 | 176.1 | -75.4 | -77.2 | -176.1 | 162.3 | 0 | 111.7 | Y790 K796 G797 Y798 | Y790-K794 HydrophobicContact CD1-CG 4.45Å; Y790-K794 HydrophobicContact CD2-CG 4.27Å; Y790-K794 HydrophobicContact CE1-CG 4.07Å; Y790-K794 HydrophobicContact CE2-CD 4.33Å; Y790-K794 HydrophobicContact CE2-CG 3.87Å; Y790-K794 WeakPolarHBondContact O-CB 3.44Å; Y790-K794 WeakPolarHBondContact O-CG 3.13Å; Y790-K794 PolarHBondContact O-N 3.47Å; Y790-K794 WeakPolarHBondContact OH-CE 3.36Å; K794-K796 VanDerWaalsContact C-N 3.33Å; K794-K796 PolarHBondContact O-N 2.64Å; K794-G797 PolarHBondContact O-N 2.8Å; K794-G797 VanDerWaalsContact O-N 3.08Å; K794-Y798 HydrophobicContact CB-CD2 4.34Å; K794-Y798 HydrophobicContact CB-CE2 4.14Å; K794-Y798 HydrophobicContact CD-CE2 4.05Å; K794-Y798 WeakPolarHBondContact O-CD2 3.19Å; K794-Y798 PolarHBondContact O-N 2.81Å |
| 795 | T | 92.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | -177 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | C791 G797 Y798 L799 L856 T859 | C791-T795 WeakPolarHBondContact O-CB 3.5Å; C791-T795 PolarHBondContact O-N 3.34Å; C791-T795 PolarHBondContact O-OG1 3.13Å; T795-G797 PolarHBondContact O-N 3.41Å; T795-Y798 PolarHBondContact O-N 3.08Å; T795-L799 HydrophobicContact CG2-CD1 4.13Å; T795-L799 HydrophobicContact CG2-CG 4.3Å; T795-L799 WeakPolarHBondContact O-CB 3.29Å; T795-L799 VanDerWaalsContact O-CG 3.23Å; T795-L799 WeakPolarHBondContact O-CG 3.48Å; T795-L799 PolarHBondContact O-N 2.88Å; T795-L856 HydrophobicContact CG2-CD2 4.29Å; T795-T859 HydrophobicContact CG2-CG2 3.82Å |
| 796 | K | 91 | Very high | 85.6 | Confident | 102 Ų | 102 | 70.5 Ų | 70.5 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 172.5 | -77.1 | -177 | 175.6 | -179.3 | 0 | 113.1 | F775 I792 K794 Q800 | F775-K796 HydrophobicContact CD2-CG 4.45Å; F775-K796 HydrophobicContact CE1-CG 4.11Å; F775-K796 HydrophobicContact CE2-CD 4.31Å; F775-K796 HydrophobicContact CE2-CG 3.62Å; F775-K796 HydrophobicContact CZ-CD 4.25Å; F775-K796 HydrophobicContact CZ-CG 3.43Å; F775-K796 VanDerWaalsContact CZ-CG 3.43Å; I792-K796 HydrophobicContact CG2-CD 4.13Å; I792-K796 WeakPolarHBondContact O-CB 3.47Å; I792-K796 WeakPolarHBondContact O-CG 3.46Å; I792-K796 PolarHBondContact O-N 2.93Å; K794-K796 VanDerWaalsContact C-N 3.33Å; K794-K796 PolarHBondContact O-N 2.64Å; K796-Q800 WeakPolarHBondContact O-CG 3.23Å; K796-Q800 PolarHBondContact O-N 3.3Å |
| 797 | G | 90.2 | Very high | 85.3 | Confident | 37 Ų | 37 | 59.8 Ų | 59.8 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K793 K794 T795 Q800 K801 | K793-G797 PolarHBondContact O-N 2.89Å; K794-G797 PolarHBondContact O-N 2.8Å; K794-G797 VanDerWaalsContact O-N 3.08Å; T795-G797 PolarHBondContact O-N 3.41Å; G797-Q800 PolarHBondContact O-N 3.15Å; G797-K801 PolarHBondContact O-N 3.34Å; G797-K801 VanDerWaalsContact O-N 3.07Å |
| 798 | Y | 91.9 | Very high | 85.1 | Confident | 54 Ų | 54 | 58 Ų | 58 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70 | -36 | 176.9 | -67.4 | -58.6 | 0 | 0 | 0 | 112.9 | T422 D427 K794 T795 Q800 K801 Y802 | T422-Y798 HydrophobicContact CG2-CD2 3.66Å; T422-Y798 HydrophobicContact CG2-CE2 4.24Å; T422-Y798 HydrophobicContact CG2-CG 4.43Å; T422-Y798 WeakPolarHBondContact OG1-CB 3.4Å; D427-Y798 HydrophobicContact CB-CD1 3.67Å; D427-Y798 HydrophobicContact CB-CD2 4.29Å; D427-Y798 HydrophobicContact CB-CE1 3.36Å; D427-Y798 HydrophobicContact CB-CE2 4.01Å; D427-Y798 HydrophobicContact CB-CG 4.15Å; D427-Y798 WeakPolarHBondContact OD2-CE1 3.21Å; K794-Y798 HydrophobicContact CB-CD2 4.34Å; K794-Y798 HydrophobicContact CB-CE2 4.14Å; K794-Y798 HydrophobicContact CD-CE2 4.05Å; K794-Y798 WeakPolarHBondContact O-CD2 3.19Å; K794-Y798 PolarHBondContact O-N 2.81Å; T795-Y798 PolarHBondContact O-N 3.08Å; Y798-Q800 PolarHBondContact O-N 3.41Å; Y798-K801 HydrophobicContact CD1-CD 4.05Å; Y798-K801 WeakPolarHBondContact O-CB 3.37Å; Y798-K801 PolarHBondContact O-N 2.89Å; Y798-Y802 WeakPolarHBondContact O-CB 3.47Å; Y798-Y802 WeakPolarHBondContact O-CD1 3.15Å; Y798-Y802 WeakPolarHBondContact O-CD2 3.23Å; Y798-Y802 PolarHBondContact O-N 2.87Å |
| 799 | L | 87.2 | Confident | 85.1 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 172 | -79.9 | 165.5 | 0 | 0 | 0 | 112.3 | D771 F775 T795 Y802 S803 T809 T859 | D771-L799 HydrophobicContact CB-CD1 3.77Å; D771-L799 HydrophobicContact CB-CD2 4.29Å; F775-L799 HydrophobicContact CE2-CD1 3.48Å; F775-L799 VanDerWaalsContact CE2-CD1 3.48Å; F775-L799 HydrophobicContact CZ-CD1 3.74Å; T795-L799 HydrophobicContact CG2-CD1 4.13Å; T795-L799 HydrophobicContact CG2-CG 4.3Å; T795-L799 WeakPolarHBondContact O-CB 3.29Å; T795-L799 VanDerWaalsContact O-CG 3.23Å; T795-L799 WeakPolarHBondContact O-CG 3.48Å; T795-L799 PolarHBondContact O-N 2.88Å; L799-Y802 PolarHBondContact O-N 3.18Å; L799-S803 VanDerWaalsContact O-CB 3.3Å; L799-S803 WeakPolarHBondContact O-CB 3.34Å; L799-S803 PolarHBondContact O-N 2.8Å; L799-S803 PolarHBondContact O-OG 2.82Å; L799-T809 HydrophobicContact CD2-CG2 3.92Å; L799-T859 HydrophobicContact CD2-CG2 4.01Å; L799-T859 WeakPolarHBondContact CD2-OG1 3.42Å; L799-T859 HydrophobicContact CG-CG2 4.19Å |
| 800 | Q | 81.4 | Confident | 85.2 | Confident | 147 Ų | 147 | 56.9 Ų | 56.9 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.6 | -47 | 175.6 | -72 | 177.3 | -26 | 0 | 0 | 111.1 | K796 G797 Y798 Y802 S803 S804 | K796-Q800 WeakPolarHBondContact O-CG 3.23Å; K796-Q800 PolarHBondContact O-N 3.3Å; G797-Q800 PolarHBondContact O-N 3.15Å; Y798-Q800 PolarHBondContact O-N 3.41Å; Q800-Y802 PolarHBondContact O-N 2.8Å; Q800-S803 PolarHBondContact O-N 3.16Å; Q800-S804 PolarHBondContact O-N 2.66Å; Q800-S804 PolarHBondContact O-OG 2.64Å |
| 801 | K | 84 | Confident | 85.4 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 175.3 | 179.5 | -167.7 | 174.9 | -172.6 | 0 | 112.7 | D427 G797 Y798 S804 L805 | D427-K801 IonicContact OD2-NZ 3.74Å; D427-K801 PolarHBondContact OD2-NZ 3.17Å; G797-K801 PolarHBondContact O-N 3.34Å; G797-K801 VanDerWaalsContact O-N 3.07Å; Y798-K801 HydrophobicContact CD1-CD 4.05Å; Y798-K801 WeakPolarHBondContact O-CB 3.37Å; Y798-K801 PolarHBondContact O-N 2.89Å; K801-S804 WeakPolarHBondContact CA-OG 3.24Å; K801-S804 PolarHBondContact O-N 2.89Å; K801-S804 PolarHBondContact O-OG 2.88Å; K801-L805 HydrophobicContact CG-CD1 4.13Å; K801-L805 WeakPolarHBondContact O-CB 3.39Å; K801-L805 WeakPolarHBondContact O-CD1 3.47Å; K801-L805 VanDerWaalsContact O-CG 3.24Å; K801-L805 WeakPolarHBondContact O-CG 3.47Å; K801-L805 PolarHBondContact O-N 2.93Å; K801-L805 VanDerWaalsContact O-N 3.12Å |
| 802 | Y | 84.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 179.1 | -64.4 | -16.5 | 0 | 0 | 0 | 111 | R420 C421 T422 D427 Y798 L799 Q800 L805 G806 L807 T809 T859 A861 | R420-Y802 HydrophobicContact CB-CE1 3.88Å; R420-Y802 VanDerWaalsContact CD-CE1 3.46Å; R420-Y802 HydrophobicContact CG-CE1 4.29Å; C421-Y802 VanDerWaalsContact C-OH 3.28Å; C421-Y802 PolarHBondContact O-OH 2.91Å; T422-Y802 PolarHBondContact N-OH 3.24Å; T422-Y802 WeakPolarHBondContact OG1-CE2 3.43Å; T422-Y802 PolarHBondContact OG1-OH 2.79Å; D427-Y802 WeakPolarHBondContact OD1-CE1 3.36Å; D427-Y802 PolarHBondContact OD1-OH 2.91Å; Y798-Y802 WeakPolarHBondContact O-CB 3.47Å; Y798-Y802 WeakPolarHBondContact O-CD1 3.15Å; Y798-Y802 WeakPolarHBondContact O-CD2 3.23Å; Y798-Y802 PolarHBondContact O-N 2.87Å; L799-Y802 PolarHBondContact O-N 3.18Å; Q800-Y802 PolarHBondContact O-N 2.8Å; Y802-L805 CarbonylContact O-C 3.57Å; Y802-L805 PolarHBondContact O-N 3.39Å; Y802-L805 VanDerWaalsContact O-N 3.16Å; Y802-G806 PolarHBondContact O-N 3.28Å; Y802-L807 WeakPolarHBondContact O-CB 3.43Å; Y802-L807 PolarHBondContact O-N 2.66Å; Y802-T809 HydrophobicContact CD2-CG2 4.15Å; Y802-T809 HydrophobicContact CG-CG2 4.42Å; Y802-T859 HydrophobicContact CD2-CG2 4.13Å; Y802-T859 HydrophobicContact CE2-CG2 3.78Å; Y802-A861 HydrophobicContact CD1-CB 4.45Å; Y802-A861 HydrophobicContact CD2-CB 3.59Å; Y802-A861 HydrophobicContact CE2-CB 4.06Å; Y802-A861 HydrophobicContact CG-CB 3.79Å |
| 803 | S | 74.2 | Confident | 85.8 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.3 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | L799 Q800 L805 G806 N897 | L799-S803 VanDerWaalsContact O-CB 3.3Å; L799-S803 WeakPolarHBondContact O-CB 3.34Å; L799-S803 PolarHBondContact O-N 2.8Å; L799-S803 PolarHBondContact O-OG 2.82Å; Q800-S803 PolarHBondContact O-N 3.16Å; S803-L805 PolarHBondContact O-N 3.29Å; S803-G806 PolarHBondContact O-N 3.03Å; S803-N897 VanDerWaalsContact O-CG 3.25Å; S803-N897 PolarHBondContact O-ND2 2.79Å; S803-N897 PolarHBondContact O-OD1 3.35Å; S803-N897 VanDerWaalsContact O-OD1 3.09Å |
| 804 | S | 69.9 | Low | 85.9 | Confident | 90 Ų | 90 | 42.8 Ų | 42.8 | 63% | 0.629 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -68.5 | -14.7 | 175.6 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | Q800 K801 | Q800-S804 PolarHBondContact O-N 2.66Å; Q800-S804 PolarHBondContact O-OG 2.64Å; K801-S804 WeakPolarHBondContact CA-OG 3.24Å; K801-S804 PolarHBondContact O-N 2.89Å; K801-S804 PolarHBondContact O-OG 2.88Å |
| 805 | L | 71.9 | Confident | 86 | Confident | 93 Ų | 93 | 41 Ų | 41 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 8.9 | 172.8 | -69.9 | 170 | 0 | 0 | 0 | 112.6 | K801 Y802 S803 L807 | K801-L805 HydrophobicContact CG-CD1 4.13Å; K801-L805 WeakPolarHBondContact O-CB 3.39Å; K801-L805 WeakPolarHBondContact O-CD1 3.47Å; K801-L805 VanDerWaalsContact O-CG 3.24Å; K801-L805 WeakPolarHBondContact O-CG 3.47Å; K801-L805 PolarHBondContact O-N 2.93Å; K801-L805 VanDerWaalsContact O-N 3.12Å; Y802-L805 CarbonylContact O-C 3.57Å; Y802-L805 PolarHBondContact O-N 3.39Å; Y802-L805 VanDerWaalsContact O-N 3.16Å; S803-L805 PolarHBondContact O-N 3.29Å; L805-L807 VanDerWaalsContact C-N 3.35Å; L805-L807 HydrophobicContact CB-CG 4.43Å; L805-L807 PolarHBondContact O-N 3.32Å |
| 806 | G | 70.1 | Confident | 86 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 2.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y802 S803 | Y802-G806 PolarHBondContact O-N 3.28Å; S803-G806 PolarHBondContact O-N 3.03Å |
| 807 | L | 80.9 | Confident | 86 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | trans | -81.9 | 134.9 | -173.7 | -52.1 | 176.6 | 0 | 0 | 0 | 111.4 | K419 R420 Y802 L805 T809 A861 V862 E863 | K419-L807 HydrophobicContact CB-CD1 4.35Å; K419-L807 HydrophobicContact CB-CD2 4.28Å; K419-L807 HydrophobicContact CG-CD2 4.18Å; R420-L807 HydrophobicContact CG-CD1 4.49Å; Y802-L807 WeakPolarHBondContact O-CB 3.43Å; Y802-L807 PolarHBondContact O-N 2.66Å; L805-L807 VanDerWaalsContact C-N 3.35Å; L805-L807 HydrophobicContact CB-CG 4.43Å; L805-L807 PolarHBondContact O-N 3.32Å; L807-T809 PolarHBondContact O-N 3.23Å; L807-A861 HydrophobicContact CB-CB 3.82Å; L807-A861 HydrophobicContact CD1-CB 3.64Å; L807-A861 HydrophobicContact CG-CB 4.35Å; L807-V862 CarbonylContact C-O 3.51Å; L807-V862 WeakPolarHBondContact CA-O 2.95Å; L807-E863 HydrophobicContact CD2-CB 3.73Å; L807-E863 HydrophobicContact CD2-CG 4.4Å | ||
| 808 | R | 81.9 | Confident | 86.1 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 120.8 | 167.6 | -66.9 | -178.2 | 170 | -165.3 | -4.2 | 109 | D701 A861 V862 D864 D890 T894 | D701-R808 IonicContact OD1-NH1 3.05Å; D701-R808 PolarHBondContact OD1-NH1 2.92Å; D701-R808 WeakPolarHBondContact OD2-CD 3.45Å; D701-R808 IonicContact OD2-NH1 2.7Å; D701-R808 PolarHBondContact OD2-NH1 2.93Å; R808-A861 WeakPolarHBondContact O-CA 3.47Å; R808-V862 PolarHBondContact N-O 3.44Å; R808-V862 PolarHBondContact O-N 3.36Å; R808-D864 IonicContact NH2-OD2 3.54Å; R808-D890 IonicContact NH2-OD1 2.74Å; R808-D890 IonicContact NH2-OD2 3.32Å; R808-D890 PolarHBondContact NH2-OD2 3.14Å; R808-D890 VanDerWaalsContact NH2-OD2 3.07Å; R808-T894 HydrophobicContact CG-CG2 4.31Å |
| 809 | T | 87.3 | Confident | 86 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.1 | -175.4 | 49 | 0 | 0 | 0 | 0 | 112.5 | L799 Y802 L807 T860 | L799-T809 HydrophobicContact CD2-CG2 3.92Å; Y802-T809 HydrophobicContact CD2-CG2 4.15Å; Y802-T809 HydrophobicContact CG-CG2 4.42Å; L807-T809 PolarHBondContact O-N 3.23Å; T809-T860 WeakPolarHBondContact CA-O 3.42Å |
| 810 | L | 91.4 | Very high | 86.2 | Confident | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 123.6 | 174 | -72.4 | 172.2 | 0 | 0 | 0 | 110.4 | L705 T859 T860 | L705-L810 HydrophobicContact CD1-CD1 4.1Å; L810-T859 VanDerWaalsContact C-OG1 3.25Å; L810-T859 CarbonylContact O-C 3.55Å; L810-T859 WeakPolarHBondContact O-CA 3.47Å; L810-T859 PolarHBondContact O-OG1 2.92Å; L810-T860 PolarHBondContact N-O 3.24Å; L810-T860 PolarHBondContact O-N 3.49Å; L810-T860 PolarHBondContact O-OG1 3.2Å |
| 811 | C | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 144 | 173.5 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | K768 G769 I774 L856 | K768-C811 VanDerWaalsContact CA-O 3.28Å; K768-C811 WeakPolarHBondContact CA-O 3.34Å; G769-C811 PolarHBondContact N-O 2.93Å; G769-C811 PolarHBondContact O-N 3Å; I774-C811 HydrophobicContact CB-CB 3.82Å; I774-C811 HydrophobicContact CG1-CB 3.88Å; I774-C811 HydrophobicContact CG2-CB 3.87Å; C811-L856 HydrophobicContact CB-CD1 4.35Å |
| 812 | L | 95.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.9 | -178.5 | -72.7 | 156.7 | 0 | 0 | 0 | 109.4 | F489 N492 M493 K768 L857 G858 T860 | F489-L812 HydrophobicContact CD2-CB 4.36Å; F489-L812 HydrophobicContact CD2-CD1 3.94Å; F489-L812 HydrophobicContact CE1-CD1 4.32Å; F489-L812 HydrophobicContact CE2-CB 4.27Å; F489-L812 HydrophobicContact CE2-CD1 3.45Å; F489-L812 VanDerWaalsContact CE2-CD1 3.45Å; F489-L812 HydrophobicContact CE2-CG 4.48Å; F489-L812 HydrophobicContact CZ-CD1 3.67Å; N492-L812 HydrophobicContact CB-CD2 4.17Å; N492-L812 VanDerWaalsContact CG-CD2 3.44Å; N492-L812 WeakPolarHBondContact OD1-CD2 3.48Å; M493-L812 HydrophobicContact CG-CD1 3.76Å; M493-L812 HydrophobicContact SD-CD1 4.29Å; K768-L812 HydrophobicContact CB-CD2 3.64Å; L812-L857 HydrophobicContact CB-CB 4.41Å; L812-L857 HydrophobicContact CB-CD1 4.48Å; L812-L857 WeakPolarHBondContact O-CB 3.42Å; L812-L857 PolarHBondContact O-N 3.4Å; L812-G858 PolarHBondContact N-O 3.31Å; L812-G858 PolarHBondContact O-N 3.21Å; L812-T860 HydrophobicContact CD1-CG2 3.67Å |
| 813 | A | 95.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N492 C767 I774 L854 E855 | N492-A813 PolarHBondContact ND2-O 3.06Å; C767-A813 PolarHBondContact N-O 2.76Å; C767-A813 PolarHBondContact O-N 2.8Å; I774-A813 HydrophobicContact CG2-CB 4.09Å; A813-L854 HydrophobicContact CB-CB 3.99Å; A813-L854 HydrophobicContact CB-CD1 4.1Å; A813-E855 CarbonylContact C-O 3.53Å; A813-E855 WeakPolarHBondContact CA-O 3.4Å; A813-E855 VanDerWaalsContact CB-O 3.23Å; A813-E855 WeakPolarHBondContact CB-O 3.49Å |
| 814 | K | 95.2 | Very high | 88.3 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 163.2 | 170.3 | 74 | 165.4 | 175.4 | 168.6 | 0 | 111 | E484 H488 L765 Y766 E855 L857 | E484-K814 IonicContact OE2-NZ 2.87Å; E484-K814 PolarHBondContact OE2-NZ 2.92Å; H488-K814 HydrophobicContact CB-CD 4.35Å; H488-K814 PolarHBondContact CD2-NZ 2.9Å; H488-K814 PolarHBondContact NE2-NZ 3.2Å; L765-K814 CarbonylContact O-C 3.57Å; L765-K814 WeakPolarHBondContact O-CA 3.06Å; Y766-K814 HydrophobicContact CD1-CB 4.15Å; Y766-K814 HydrophobicContact CE1-CB 4.15Å; K814-E855 PolarHBondContact N-O 2.75Å; K814-E855 PolarHBondContact O-N 3.16Å; K814-L857 HydrophobicContact CB-CD1 4.17Å; K814-L857 HydrophobicContact CB-CD2 4.17Å; K814-L857 HydrophobicContact CB-CG 4.29Å; K814-L857 HydrophobicContact CD-CD2 4.14Å; K814-L857 HydrophobicContact CG-CD2 3.83Å; K814-L857 HydrophobicContact CG-CG 4.37Å |
| 815 | R | 93.8 | Very high | 89.5 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 130.7 | 156.9 | 178.9 | 176.2 | 172.3 | -164.9 | -10.1 | 109.3 | F764 L765 I817 E821 R852 D853 L854 | F764-R815 WeakPolarHBondContact CA-O 3.4Å; L765-R815 HydrophobicContact CB-CB 4.44Å; L765-R815 PolarHBondContact N-O 2.91Å; L765-R815 PolarHBondContact O-N 3Å; R815-I817 HydrophobicContact CG-CG1 4.1Å; R815-E821 IonicContact CZ-OE1 3.25Å; R815-E821 IonicContact CZ-OE2 3.98Å; R815-E821 IonicContact NH1-OE1 2.89Å; R815-E821 IonicContact NH2-OE1 2.86Å; R815-E821 PolarHBondContact NH2-OE1 2.94Å; R815-E821 IonicContact NH2-OE2 2.74Å; R815-E821 PolarHBondContact NH2-OE2 3.44Å; R815-R852 WeakPolarHBondContact CD-O 3.37Å; R815-R852 PolarHBondContact NH1-O 3.11Å; R815-D853 WeakPolarHBondContact CD-O 3.29Å; R815-L854 HydrophobicContact CB-CD2 3.77Å |
| 816 | S | 91.9 | Very high | 90.5 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 47% | 0.469 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 129.7 | 167.5 | -54.5 | 0 | 0 | 0 | 0 | 109 | F764 | F764-S816 WeakPolarHBondContact CE1-OG 3.24Å |
| 817 | I | 92.5 | Very high | 91.4 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.4 | -175.1 | -62.6 | -171.8 | 0 | 0 | 0 | 109.9 | L763 L765 R815 E821 I850 | L763-I817 PolarHBondContact O-N 2.8Å; L765-I817 HydrophobicContact CB-CD1 3.6Å; L765-I817 HydrophobicContact CB-CG1 4.29Å; L765-I817 HydrophobicContact CD2-CD1 4.25Å; R815-I817 HydrophobicContact CG-CG1 4.1Å; I817-E821 HydrophobicContact CG2-CB 4.23Å; I817-E821 HydrophobicContact CG2-CG 4.21Å; I817-I850 HydrophobicContact CD1-CD1 3.86Å; I817-I850 HydrophobicContact CD1-CG1 3.67Å |
| 818 | S | 92.5 | Very high | 91.8 | Very high | 65 Ų | 65 | 54 Ų | 54 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | trans | -73 | 144.9 | 176.5 | 76.5 | 0 | 0 | 0 | 0 | 111.2 | N820 E821 Y822 | S818-N820 PolarHBondContact O-N 2.98Å; S818-N820 VanDerWaalsContact O-N 3.13Å; S818-E821 PolarHBondContact O-N 3.12Å; S818-E821 VanDerWaalsContact OG-CB 3.22Å; S818-E821 WeakPolarHBondContact OG-CB 3.35Å; S818-E821 PolarHBondContact OG-N 2.8Å; S818-E821 VanDerWaalsContact OG-N 3.07Å; S818-Y822 PolarHBondContact O-N 3.05Å | ||
| 819 | M | 88.8 | Confident | 92.2 | Very high | 105 Ų | 105 | 52 Ų | 52 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.4 | -23.5 | 177.3 | -171.2 | 61.6 | -173.4 | 0 | 0 | 112.5 | L763 Y822 R823 | L763-M819 HydrophobicContact CD1-SD 3.81Å; L763-M819 HydrophobicContact CD2-SD 4.04Å; M819-Y822 HydrophobicContact SD-CD1 4.23Å; M819-R823 HydrophobicContact CE-CG 4.27Å; M819-R823 VanDerWaalsContact O-CG 3.24Å; M819-R823 WeakPolarHBondContact O-CG 3.35Å; M819-R823 PolarHBondContact O-N 3.13Å |
| 820 | N | 91.4 | Very high | 92.2 | Very high | 120 Ų | 120 | 55 Ų | 55 | 64% | 0.642 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -74 | -50.6 | 174.1 | -167.7 | 45.3 | 0 | 0 | 0 | 111.6 | S818 Y822 R823 V824 | S818-N820 PolarHBondContact O-N 2.98Å; S818-N820 VanDerWaalsContact O-N 3.13Å; N820-Y822 VanDerWaalsContact C-N 3.32Å; N820-Y822 PolarHBondContact O-N 2.95Å; N820-R823 PolarHBondContact O-N 2.93Å; N820-R823 VanDerWaalsContact O-N 3.1Å; N820-V824 WeakPolarHBondContact O-CG2 3.27Å; N820-V824 PolarHBondContact O-N 3.05Å |
| 821 | E | 92.1 | Very high | 92 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56 | -47.2 | 175.5 | 177.5 | 175.7 | -157.9 | 0 | 0 | 111.5 | R815 I817 S818 R823 V824 W825 | R815-E821 IonicContact CZ-OE1 3.25Å; R815-E821 IonicContact CZ-OE2 3.98Å; R815-E821 IonicContact NH1-OE1 2.89Å; R815-E821 IonicContact NH2-OE1 2.86Å; R815-E821 PolarHBondContact NH2-OE1 2.94Å; R815-E821 IonicContact NH2-OE2 2.74Å; R815-E821 PolarHBondContact NH2-OE2 3.44Å; I817-E821 HydrophobicContact CG2-CB 4.23Å; I817-E821 HydrophobicContact CG2-CG 4.21Å; S818-E821 PolarHBondContact O-N 3.12Å; S818-E821 VanDerWaalsContact OG-CB 3.22Å; S818-E821 WeakPolarHBondContact OG-CB 3.35Å; S818-E821 PolarHBondContact OG-N 2.8Å; S818-E821 VanDerWaalsContact OG-N 3.07Å; E821-R823 VanDerWaalsContact C-N 3.29Å; E821-R823 PolarHBondContact O-N 2.73Å; E821-V824 PolarHBondContact O-N 3Å; E821-W825 WeakPolarHBondContact O-CB 3.32Å; E821-W825 PolarHBondContact O-N 3.11Å |
| 822 | Y | 92.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 6% | 0.059 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.1 | -39.2 | 176.9 | 175.8 | -103.1 | 0 | 0 | 0 | 112.5 | L739 H740 I754 L763 S818 M819 N820 W825 L826 | L739-Y822 HydrophobicContact CD1-CD1 4.47Å; L739-Y822 HydrophobicContact CD1-CE1 3.87Å; L739-Y822 HydrophobicContact CD1-CE2 4.19Å; H740-Y822 PolarHBondContact CD2-OH 3.38Å; H740-Y822 VanDerWaalsContact CD2-OH 3.32Å; I754-Y822 HydrophobicContact CD1-CD2 4.16Å; I754-Y822 HydrophobicContact CD1-CE2 3.95Å; I754-Y822 HydrophobicContact CG2-CD2 4.08Å; I754-Y822 HydrophobicContact CG2-CE2 3.94Å; L763-Y822 HydrophobicContact CD2-CD1 3.72Å; L763-Y822 HydrophobicContact CD2-CD2 4.1Å; L763-Y822 HydrophobicContact CD2-CE1 4.43Å; L763-Y822 HydrophobicContact CD2-CG 3.54Å; S818-Y822 PolarHBondContact O-N 3.05Å; M819-Y822 HydrophobicContact SD-CD1 4.23Å; N820-Y822 VanDerWaalsContact C-N 3.32Å; N820-Y822 PolarHBondContact O-N 2.95Å; Y822-W825 HydrophobicContact CD2-CE3 4.12Å; Y822-W825 HydrophobicContact CD2-CZ3 4.46Å; Y822-W825 AromaticContact CE2-CE3 3.98Å; Y822-W825 HydrophobicContact CE2-CE3 3.98Å; Y822-W825 AromaticContact CE2-CZ3 3.88Å; Y822-W825 HydrophobicContact CE2-CZ3 3.88Å; Y822-L826 HydrophobicContact CE1-CD2 4.02Å; Y822-L826 WeakPolarHBondContact O-CB 3.19Å; Y822-L826 PolarHBondContact O-N 3.4Å |
| 823 | R | 91.8 | Very high | 91.1 | Very high | 160 Ų | 160 | 62.2 Ų | 62.2 | 60% | 0.604 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.1 | -38.1 | 176.8 | -74.9 | 176.7 | 74.4 | 171.3 | 3.6 | 113 | M819 N820 E821 L826 N827 | M819-R823 HydrophobicContact CE-CG 4.27Å; M819-R823 VanDerWaalsContact O-CG 3.24Å; M819-R823 WeakPolarHBondContact O-CG 3.35Å; M819-R823 PolarHBondContact O-N 3.13Å; N820-R823 PolarHBondContact O-N 2.93Å; N820-R823 VanDerWaalsContact O-N 3.1Å; E821-R823 VanDerWaalsContact C-N 3.29Å; E821-R823 PolarHBondContact O-N 2.73Å; R823-L826 PolarHBondContact O-N 2.7Å; R823-N827 PolarHBondContact O-N 2.98Å |
| 824 | V | 92.3 | Very high | 90.6 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 175.1 | 174 | 0 | 0 | 0 | 0 | 110.2 | N820 E821 | N820-V824 WeakPolarHBondContact O-CG2 3.27Å; N820-V824 PolarHBondContact O-N 3.05Å; E821-V824 PolarHBondContact O-N 3Å |
| 825 | W | 94.6 | Very high | 90 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.9 | 172.1 | 83.1 | 0 | 0 | 0 | 112.4 | H740 F742 I754 E821 Y822 N827 Q828 H829 S846 I850 | H740-W825 HydrophobicContact CB-CH2 4.44Å; F742-W825 AromaticContact CE1-CH2 3.75Å; F742-W825 HydrophobicContact CE1-CH2 3.75Å; F742-W825 AromaticContact CE1-CZ2 3.61Å; F742-W825 HydrophobicContact CE1-CZ2 3.61Å; F742-W825 AromaticContact CZ-CH2 3.46Å; F742-W825 HydrophobicContact CZ-CH2 3.46Å; F742-W825 VanDerWaalsContact CZ-CH2 3.46Å; F742-W825 AromaticContact CZ-CZ2 3.35Å; F742-W825 HydrophobicContact CZ-CZ2 3.35Å; F742-W825 HydrophobicContact CZ-CZ3 4.47Å; I754-W825 HydrophobicContact CD1-CE3 4.39Å; I754-W825 HydrophobicContact CD1-CH2 4.31Å; I754-W825 HydrophobicContact CD1-CZ3 4.06Å; E821-W825 WeakPolarHBondContact O-CB 3.32Å; E821-W825 PolarHBondContact O-N 3.11Å; Y822-W825 HydrophobicContact CD2-CE3 4.12Å; Y822-W825 HydrophobicContact CD2-CZ3 4.46Å; Y822-W825 AromaticContact CE2-CE3 3.98Å; Y822-W825 HydrophobicContact CE2-CE3 3.98Å; Y822-W825 AromaticContact CE2-CZ3 3.88Å; Y822-W825 HydrophobicContact CE2-CZ3 3.88Å; W825-N827 VanDerWaalsContact C-N 3.3Å; W825-N827 PolarHBondContact O-N 2.87Å; W825-Q828 CarbonylContact O-C 3.52Å; W825-Q828 WeakPolarHBondContact O-CA 3.39Å; W825-Q828 WeakPolarHBondContact O-CB 3.29Å; W825-Q828 PolarHBondContact O-N 3.31Å; W825-H829 HydrophobicContact CD2-CB 4.31Å; W825-H829 HydrophobicContact CE3-CB 4.41Å; W825-H829 HydrophobicContact CH2-CB 3.66Å; W825-H829 AromaticContact CH2-CD2 3.6Å; W825-H829 AromaticContact CH2-CG 3.39Å; W825-H829 AromaticContact CH2-ND1 3.74Å; W825-H829 HydrophobicContact CZ2-CB 3.57Å; W825-H829 AromaticContact CZ2-CD2 3.99Å; W825-H829 AromaticContact CZ2-CE1 3.88Å; W825-H829 AromaticContact CZ2-CG 3.35Å; W825-H829 AromaticContact CZ2-ND1 3.29Å; W825-H829 VanDerWaalsContact CZ2-ND1 3.29Å; W825-H829 WeakPolarHBondContact CZ2-ND1 3.29Å; W825-H829 HydrophobicContact CZ3-CB 4.1Å; W825-H829 PolarHBondContact O-N 3.35Å; W825-S846 PolarHBondContact NE1-O 3.25Å; W825-S846 PolarHBondContact NE1-OG 3.47Å; W825-I850 HydrophobicContact CB-CD1 4.03Å; W825-I850 HydrophobicContact CD2-CB 4.31Å; W825-I850 HydrophobicContact CD2-CD1 3.59Å; W825-I850 HydrophobicContact CD2-CG2 4.3Å; W825-I850 HydrophobicContact CE3-CD1 3.92Å; W825-I850 HydrophobicContact CG-CB 4.06Å; W825-I850 HydrophobicContact CG-CD1 3.6Å; W825-I850 HydrophobicContact CG-CG1 4.4Å; W825-I850 HydrophobicContact CZ2-CG2 4.11Å |
| 826 | L | 92.5 | Very high | 89.2 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | -177.3 | 179.7 | 62.9 | 0 | 0 | 0 | 112.4 | H740 Y822 R823 Q828 H829 H830 | H740-L826 WeakPolarHBondContact NE2-CD1 3.31Å; Y822-L826 HydrophobicContact CE1-CD2 4.02Å; Y822-L826 WeakPolarHBondContact O-CB 3.19Å; Y822-L826 PolarHBondContact O-N 3.4Å; R823-L826 PolarHBondContact O-N 2.7Å; L826-Q828 VanDerWaalsContact C-N 3.34Å; L826-Q828 PolarHBondContact O-N 3.42Å; L826-H829 PolarHBondContact O-N 3.03Å; L826-H830 WeakPolarHBondContact O-CB 3.35Å; L826-H830 PolarHBondContact O-N 3.33Å |
| 827 | N | 89.4 | Confident | 88.7 | Confident | 116 Ų | 116 | 80.4 Ų | 80.4 | 62% | 0.62 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 173.9 | -76.5 | -10.3 | 0 | 0 | 0 | 112 | R823 W825 N831 | R823-N827 PolarHBondContact O-N 2.98Å; W825-N827 VanDerWaalsContact C-N 3.3Å; W825-N827 PolarHBondContact O-N 2.87Å; N827-N831 VanDerWaalsContact O-CG 3.32Å; N827-N831 PolarHBondContact O-N 2.75Å; N827-N831 PolarHBondContact O-ND2 2.84Å |
| 828 | Q | 88.5 | Confident | 88.1 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 41% | 0.411 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 176.4 | -60.8 | -180 | 16.2 | 0 | 0 | 111.8 | W825 L826 N831 A832 M849 | W825-Q828 CarbonylContact O-C 3.52Å; W825-Q828 WeakPolarHBondContact O-CA 3.39Å; W825-Q828 WeakPolarHBondContact O-CB 3.29Å; W825-Q828 PolarHBondContact O-N 3.31Å; L826-Q828 VanDerWaalsContact C-N 3.34Å; L826-Q828 PolarHBondContact O-N 3.42Å; Q828-N831 PolarHBondContact O-N 2.84Å; Q828-A832 PolarHBondContact O-N 3.39Å; Q828-M849 PolarHBondContact OE1-SD 2.98Å; Q828-M849 VanDerWaalsContact OE1-SD 3.41Å |
| 829 | H | 90.7 | Very high | 87.6 | Confident | 13 Ų | 13 | 88.3 Ų | 88.3 | 6% | 0.06 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.4 | -165.4 | 69.3 | 0 | 0 | 0 | 111.8 | H740 F742 W825 L826 N831 A832 E833 S846 | H740-H829 AromaticContact CE1-CD2 3.59Å; H740-H829 AromaticContact CE1-NE2 3.98Å; H740-H829 AromaticContact ND1-CD2 3.67Å; H740-H829 AromaticContact ND1-NE2 3.63Å; F742-H829 AromaticContact CE1-CE1 3.86Å; W825-H829 HydrophobicContact CD2-CB 4.31Å; W825-H829 HydrophobicContact CE3-CB 4.41Å; W825-H829 HydrophobicContact CH2-CB 3.66Å; W825-H829 AromaticContact CH2-CD2 3.6Å; W825-H829 AromaticContact CH2-CG 3.39Å; W825-H829 AromaticContact CH2-ND1 3.74Å; W825-H829 HydrophobicContact CZ2-CB 3.57Å; W825-H829 AromaticContact CZ2-CD2 3.99Å; W825-H829 AromaticContact CZ2-CE1 3.88Å; W825-H829 AromaticContact CZ2-CG 3.35Å; W825-H829 AromaticContact CZ2-ND1 3.29Å; W825-H829 VanDerWaalsContact CZ2-ND1 3.29Å; W825-H829 WeakPolarHBondContact CZ2-ND1 3.29Å; W825-H829 HydrophobicContact CZ3-CB 4.1Å; W825-H829 PolarHBondContact O-N 3.35Å; L826-H829 PolarHBondContact O-N 3.03Å; H829-N831 VanDerWaalsContact C-N 3.33Å; H829-N831 PolarHBondContact O-N 2.71Å; H829-A832 CarbonylContact O-C 3.49Å; H829-A832 WeakPolarHBondContact O-CA 3.35Å; H829-A832 WeakPolarHBondContact O-CB 3.46Å; H829-A832 PolarHBondContact O-N 3.17Å; H829-E833 PolarHBondContact O-N 3.18Å; H829-S846 WeakPolarHBondContact CA-OG 3.39Å; H829-S846 WeakPolarHBondContact CB-OG 3.43Å; H829-S846 PolarHBondContact ND1-OG 2.9Å |
| 830 | H | 88.5 | Confident | 87.1 | Confident | 92 Ų | 92 | 86 Ų | 86 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 177.6 | -165.8 | 51.4 | 0 | 0 | 0 | 112.3 | L826 A832 E833 L834 | L826-H830 WeakPolarHBondContact O-CB 3.35Å; L826-H830 PolarHBondContact O-N 3.33Å; H830-A832 PolarHBondContact O-N 3.1Å; H830-E833 IonicContact CE1-OE2 3.73Å; H830-E833 IonicContact CG-OE2 2.64Å; H830-E833 IonicContact ND1-OE2 3.52Å; H830-E833 PolarHBondContact ND1-OE2 3.29Å; H830-E833 WeakPolarHBondContact O-CB 3.32Å; H830-E833 PolarHBondContact O-N 3.22Å; H830-E833 VanDerWaalsContact O-N 3.17Å; H830-L834 WeakPolarHBondContact O-CB 3.5Å; H830-L834 VanDerWaalsContact O-CG 3.3Å; H830-L834 WeakPolarHBondContact O-CG 3.22Å; H830-L834 PolarHBondContact O-N 3.03Å |
| 831 | N | 87 | Confident | 86.8 | Confident | 114 Ų | 114 | 86 Ų | 86 | 61% | 0.61 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.5 | -33.1 | 171.1 | -69 | -18.3 | 0 | 0 | 0 | 112.3 | N827 Q828 H829 A835 | N827-N831 VanDerWaalsContact O-CG 3.32Å; N827-N831 PolarHBondContact O-N 2.75Å; N827-N831 PolarHBondContact O-ND2 2.84Å; Q828-N831 PolarHBondContact O-N 2.84Å; H829-N831 VanDerWaalsContact C-N 3.33Å; H829-N831 PolarHBondContact O-N 2.71Å; N831-A835 PolarHBondContact O-N 3.21Å |
| 832 | A | 87.6 | Confident | 86.6 | Confident | 7 Ų | 7 | 86.2 Ų | 86.2 | 6% | 0.058 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -74.1 | -36.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | Q828 H829 H830 L834 A835 R839 L842 L843 | Q828-A832 PolarHBondContact O-N 3.39Å; H829-A832 CarbonylContact O-C 3.49Å; H829-A832 WeakPolarHBondContact O-CA 3.35Å; H829-A832 WeakPolarHBondContact O-CB 3.46Å; H829-A832 PolarHBondContact O-N 3.17Å; H830-A832 PolarHBondContact O-N 3.1Å; A832-L834 VanDerWaalsContact C-N 3.28Å; A832-L834 PolarHBondContact O-N 3.01Å; A832-A835 WeakPolarHBondContact O-CB 3.29Å; A832-A835 PolarHBondContact O-N 3.06Å; A832-R839 WeakPolarHBondContact O-CG 3.49Å; A832-L842 HydrophobicContact CB-CB 3.81Å; A832-L843 HydrophobicContact CB-CD2 3.96Å; A832-L843 HydrophobicContact CB-CG 4.26Å |
| 833 | E | 83.7 | Confident | 86.4 | Confident | 74 Ų | 74 | 87.3 Ų | 87.3 | 35% | 0.346 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 173.2 | -69.6 | -179.3 | 140.5 | 0 | 0 | 112.7 | H829 H830 R839 L843 | H829-E833 PolarHBondContact O-N 3.18Å; H830-E833 IonicContact CE1-OE2 3.73Å; H830-E833 IonicContact CG-OE2 2.64Å; H830-E833 IonicContact ND1-OE2 3.52Å; H830-E833 PolarHBondContact ND1-OE2 3.29Å; H830-E833 WeakPolarHBondContact O-CB 3.32Å; H830-E833 PolarHBondContact O-N 3.22Å; H830-E833 VanDerWaalsContact O-N 3.17Å; E833-R839 WeakPolarHBondContact O-CD 3.49Å; E833-R839 PolarHBondContact O-NH1 3.21Å; E833-L843 HydrophobicContact CG-CD2 3.87Å |
| 834 | L | 85.5 | Confident | 86.1 | Confident | 109 Ų | 109 | 82.6 Ų | 82.6 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -9.1 | 179.5 | -67.3 | 173.5 | 0 | 0 | 0 | 113.9 | H830 A832 H836 | H830-L834 WeakPolarHBondContact O-CB 3.5Å; H830-L834 VanDerWaalsContact O-CG 3.3Å; H830-L834 WeakPolarHBondContact O-CG 3.22Å; H830-L834 PolarHBondContact O-N 3.03Å; A832-L834 VanDerWaalsContact C-N 3.28Å; A832-L834 PolarHBondContact O-N 3.01Å; L834-H836 PolarHBondContact O-N 3.13Å |
| 835 | A | 82.7 | Confident | 85.9 | Confident | 21 Ų | 21 | 85.2 Ų | 85.2 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | trans | -70.5 | 121 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N831 A832 R839 L842 | N831-A835 PolarHBondContact O-N 3.21Å; A832-A835 WeakPolarHBondContact O-CB 3.29Å; A832-A835 PolarHBondContact O-N 3.06Å; A835-R839 HydrophobicContact CB-CG 4.44Å; A835-R839 WeakPolarHBondContact O-CB 3.39Å; A835-R839 VanDerWaalsContact O-CG 3.3Å; A835-R839 WeakPolarHBondContact O-CG 3.17Å; A835-L842 HydrophobicContact CB-CD1 3.47Å; A835-L842 VanDerWaalsContact CB-CD1 3.47Å | ||
| 836 | H | 76.4 | Confident | 85.8 | Confident | 199 Ų | 199 | 85.1 Ų | 85.1 | 92% | 0.921 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -76.7 | -20.4 | 178.2 | -85.7 | -65.9 | 0 | 0 | 0 | 114.7 | L834 | L834-H836 PolarHBondContact O-N 3.13Š|
| 837 | K | 80.5 | Confident | 85.8 | Confident | 173 Ų | 173 | 82.8 Ų | 82.8 | 75% | 0.752 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -119 | 147 | 174.1 | -70.6 | -173.6 | 177.8 | -178.3 | 0 | 109.7 | R839 | K837-R839 PolarHBondContact O-N 3.06Š|
| 838 | N | 80.7 | Confident | 85.8 | Confident | 104 Ų | 104 | 78.9 Ų | 78.9 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 50.9 | 29.1 | 175.9 | -60.5 | 41.6 | 0 | 0 | 0 | 114.5 | G840 E841 L842 | N838-G840 PolarHBondContact O-N 2.98Å; N838-G840 VanDerWaalsContact O-N 3.14Å; N838-E841 WeakPolarHBondContact CB-OE2 2.93Å; N838-E841 PolarHBondContact ND2-OE2 3.06Å; N838-E841 PolarHBondContact O-N 3.43Å; N838-L842 PolarHBondContact O-N 3.27Å |
| 839 | R | 82.3 | Confident | 86 | Confident | 138 Ų | 138 | 79.3 Ų | 79.3 | 52% | 0.521 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -53.2 | -39.8 | -174.8 | -155 | -176.3 | 78.2 | 143.5 | -1.4 | 113.4 | A832 E833 A835 K837 L843 | A832-R839 WeakPolarHBondContact O-CG 3.49Å; E833-R839 WeakPolarHBondContact O-CD 3.49Å; E833-R839 PolarHBondContact O-NH1 3.21Å; A835-R839 HydrophobicContact CB-CG 4.44Å; A835-R839 WeakPolarHBondContact O-CB 3.39Å; A835-R839 VanDerWaalsContact O-CG 3.3Å; A835-R839 WeakPolarHBondContact O-CG 3.17Å; K837-R839 PolarHBondContact O-N 3.06Å; R839-L843 HydrophobicContact CG-CD1 4.04Å; R839-L843 HydrophobicContact CG-CG 4.49Å; R839-L843 WeakPolarHBondContact O-CB 3.2Å; R839-L843 WeakPolarHBondContact O-CD1 3.22Å; R839-L843 WeakPolarHBondContact O-CG 3.39Å; R839-L843 PolarHBondContact O-N 2.86Å |
| 840 | G | 79.2 | Confident | 86.1 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 59% | 0.588 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.4 | -49.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N838 L842 L843 E844 | N838-G840 PolarHBondContact O-N 2.98Å; N838-G840 VanDerWaalsContact O-N 3.14Å; G840-L842 PolarHBondContact O-N 2.77Å; G840-L843 PolarHBondContact O-N 2.92Å; G840-E844 WeakPolarHBondContact O-CB 3.4Å; G840-E844 PolarHBondContact O-N 3.47Å |
| 841 | E | 84.5 | Confident | 86.4 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 177.8 | -62.2 | -179.5 | 136.2 | 0 | 0 | 111.8 | N838 E844 M845 | N838-E841 WeakPolarHBondContact CB-OE2 2.93Å; N838-E841 PolarHBondContact ND2-OE2 3.06Å; N838-E841 PolarHBondContact O-N 3.43Å; E841-E844 PolarHBondContact O-N 2.92Å; E841-M845 WeakPolarHBondContact O-CB 3.07Å; E841-M845 VanDerWaalsContact O-CG 3.29Å; E841-M845 WeakPolarHBondContact O-CG 3.39Å; E841-M845 PolarHBondContact O-N 2.96Å |
| 842 | L | 88 | Confident | 86.6 | Confident | 71 Ų | 71 | 76 Ų | 76 | 37% | 0.372 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 179.6 | -68 | 170.5 | 0 | 0 | 0 | 112.3 | A832 A835 N838 G840 E844 S846 | A832-L842 HydrophobicContact CB-CB 3.81Å; A835-L842 HydrophobicContact CB-CD1 3.47Å; A835-L842 VanDerWaalsContact CB-CD1 3.47Å; N838-L842 PolarHBondContact O-N 3.27Å; G840-L842 PolarHBondContact O-N 2.77Å; L842-E844 VanDerWaalsContact C-N 3.35Å; L842-S846 VanDerWaalsContact O-CB 3.27Å; L842-S846 WeakPolarHBondContact O-CB 3.44Å; L842-S846 PolarHBondContact O-N 3.23Å |
| 843 | L | 87.6 | Confident | 87 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 20% | 0.204 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 172.7 | -72.1 | 168.7 | 0 | 0 | 0 | 111.4 | A832 E833 R839 G840 S846 A847 | A832-L843 HydrophobicContact CB-CD2 3.96Å; A832-L843 HydrophobicContact CB-CG 4.26Å; E833-L843 HydrophobicContact CG-CD2 3.87Å; R839-L843 HydrophobicContact CG-CD1 4.04Å; R839-L843 HydrophobicContact CG-CG 4.49Å; R839-L843 WeakPolarHBondContact O-CB 3.2Å; R839-L843 WeakPolarHBondContact O-CD1 3.22Å; R839-L843 WeakPolarHBondContact O-CG 3.39Å; R839-L843 PolarHBondContact O-N 2.86Å; G840-L843 PolarHBondContact O-N 2.92Å; L843-S846 PolarHBondContact O-N 3.21Å; L843-A847 PolarHBondContact O-N 2.97Å |
| 844 | E | 85.9 | Confident | 87.5 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 177.7 | -171.8 | 55.3 | -119.4 | 0 | 0 | 112.7 | R748 R750 G840 E841 L842 S846 A847 S848 | R748-E844 WeakPolarHBondContact CD-OE2 3.41Å; R748-E844 WeakPolarHBondContact CG-OE2 3.1Å; R748-E844 IonicContact CZ-OE1 2.73Å; R748-E844 VanDerWaalsContact NE-CD 3.25Å; R748-E844 IonicContact NE-OE1 3.49Å; R748-E844 PolarHBondContact NE-OE1 3.22Å; R748-E844 IonicContact NE-OE2 3.4Å; R748-E844 PolarHBondContact NE-OE2 2.72Å; R748-E844 IonicContact NH2-OE1 3.25Å; R748-E844 PolarHBondContact NH2-OE1 3.43Å; R750-E844 IonicContact NH2-OE1 3.94Å; G840-E844 WeakPolarHBondContact O-CB 3.4Å; G840-E844 PolarHBondContact O-N 3.47Å; E841-E844 PolarHBondContact O-N 2.92Å; L842-E844 VanDerWaalsContact C-N 3.35Å; E844-S846 VanDerWaalsContact C-N 3.31Å; E844-S846 PolarHBondContact O-N 3.31Å; E844-A847 PolarHBondContact O-N 3.02Å; E844-S848 WeakPolarHBondContact O-CB 3.42Å; E844-S848 PolarHBondContact O-N 3.41Å; E844-S848 PolarHBondContact O-OG 3.44Å; E844-S848 PolarHBondContact OE1-OG 3.15Å |
| 845 | M | 89 | Confident | 87.9 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | 172.7 | -73.7 | 177.8 | 68.9 | 0 | 0 | 111.1 | E841 S848 M849 | E841-M845 WeakPolarHBondContact O-CB 3.07Å; E841-M845 VanDerWaalsContact O-CG 3.29Å; E841-M845 WeakPolarHBondContact O-CG 3.39Å; E841-M845 PolarHBondContact O-N 2.96Å; M845-S848 PolarHBondContact O-N 2.91Å; M845-M849 PolarHBondContact O-N 2.77Å |
| 846 | S | 91.7 | Very high | 88.5 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 177 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | W825 H829 L842 L843 E844 M849 | W825-S846 PolarHBondContact NE1-O 3.25Å; W825-S846 PolarHBondContact NE1-OG 3.47Å; H829-S846 WeakPolarHBondContact CA-OG 3.39Å; H829-S846 WeakPolarHBondContact CB-OG 3.43Å; H829-S846 PolarHBondContact ND1-OG 2.9Å; L842-S846 VanDerWaalsContact O-CB 3.27Å; L842-S846 WeakPolarHBondContact O-CB 3.44Å; L842-S846 PolarHBondContact O-N 3.23Å; L843-S846 PolarHBondContact O-N 3.21Å; E844-S846 VanDerWaalsContact C-N 3.31Å; E844-S846 PolarHBondContact O-N 3.31Å; S846-M849 WeakPolarHBondContact O-CB 3.19Å; S846-M849 PolarHBondContact O-N 3.02Å |
| 847 | A | 91.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F742 L843 E844 M849 I850 E851 | F742-A847 HydrophobicContact CB-CB 4.39Å; F742-A847 HydrophobicContact CD1-CB 3.7Å; F742-A847 HydrophobicContact CD2-CB 4.46Å; F742-A847 HydrophobicContact CE1-CB 4.07Å; F742-A847 HydrophobicContact CG-CB 3.92Å; L843-A847 PolarHBondContact O-N 2.97Å; E844-A847 PolarHBondContact O-N 3.02Å; A847-M849 PolarHBondContact O-N 2.86Å; A847-I850 WeakPolarHBondContact O-CG2 3.39Å; A847-I850 PolarHBondContact O-N 2.84Å; A847-E851 WeakPolarHBondContact O-CB 3.3Å; A847-E851 VanDerWaalsContact O-CG 3.23Å; A847-E851 WeakPolarHBondContact O-CG 3.49Å; A847-E851 PolarHBondContact O-N 3.26Å |
| 848 | S | 91 | Very high | 89.9 | Confident | 33 Ų | 33 | 56 Ų | 56 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -6.3 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 114.7 | R750 E844 M845 R852 | R750-S848 PolarHBondContact NH2-OG 3.26Å; E844-S848 WeakPolarHBondContact O-CB 3.42Å; E844-S848 PolarHBondContact O-N 3.41Å; E844-S848 PolarHBondContact O-OG 3.44Å; E844-S848 PolarHBondContact OE1-OG 3.15Å; M845-S848 PolarHBondContact O-N 2.91Å; S848-R852 PolarHBondContact O-NE 3.36Å |
| 849 | M | 91.1 | Very high | 90.6 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -86.8 | -47.6 | 171.6 | -170 | -173.5 | -65.8 | 0 | 0 | 111.7 | Q828 M845 S846 A847 | Q828-M849 PolarHBondContact OE1-SD 2.98Å; Q828-M849 VanDerWaalsContact OE1-SD 3.41Å; M845-M849 PolarHBondContact O-N 2.77Å; S846-M849 WeakPolarHBondContact O-CB 3.19Å; S846-M849 PolarHBondContact O-N 3.02Å; A847-M849 PolarHBondContact O-N 2.86Å |
| 850 | I | 93.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79 | -23.7 | -178.7 | -169.6 | 155.3 | 0 | 0 | 0 | 113 | F742 I754 L765 I817 W825 A847 R852 | F742-I850 HydrophobicContact CE2-CG2 3.97Å; F742-I850 HydrophobicContact CZ-CG2 4.01Å; I754-I850 HydrophobicContact CD1-CD1 3.71Å; I754-I850 HydrophobicContact CD1-CG1 4.47Å; L765-I850 WeakPolarHBondContact CD2-O 3.4Å; I817-I850 HydrophobicContact CD1-CD1 3.86Å; I817-I850 HydrophobicContact CD1-CG1 3.67Å; W825-I850 HydrophobicContact CB-CD1 4.03Å; W825-I850 HydrophobicContact CD2-CB 4.31Å; W825-I850 HydrophobicContact CD2-CD1 3.59Å; W825-I850 HydrophobicContact CD2-CG2 4.3Å; W825-I850 HydrophobicContact CE3-CD1 3.92Å; W825-I850 HydrophobicContact CG-CB 4.06Å; W825-I850 HydrophobicContact CG-CD1 3.6Å; W825-I850 HydrophobicContact CG-CG1 4.4Å; W825-I850 HydrophobicContact CZ2-CG2 4.11Å; A847-I850 WeakPolarHBondContact O-CG2 3.39Å; A847-I850 PolarHBondContact O-N 2.84Å; I850-R852 PolarHBondContact O-N 3.47Å; I850-R852 VanDerWaalsContact O-N 3.13Å |
| 851 | E | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 16.2 | 177.7 | -67 | 170.1 | 152.9 | 0 | 0 | 114.7 | F742 R748 R750 S752 L765 A847 L854 | F742-E851 HydrophobicContact CD2-CG 4.49Å; R748-E851 IonicContact CZ-OE1 2.81Å; R748-E851 IonicContact CZ-OE2 3.74Å; R748-E851 IonicContact NH1-OE1 2.69Å; R748-E851 IonicContact NH2-OE1 3.64Å; R748-E851 PolarHBondContact NH2-OE1 2.76Å; R748-E851 IonicContact NH2-OE2 3.8Å; R748-E851 PolarHBondContact NH2-OE2 3.16Å; R750-E851 IonicContact CZ-OE2 3.47Å; R750-E851 IonicContact NE-OE1 3.08Å; R750-E851 IonicContact NE-OE2 2.7Å; R750-E851 PolarHBondContact NE-OE2 2.76Å; R750-E851 IonicContact NH2-OE2 2.96Å; R750-E851 PolarHBondContact NH2-OE2 2.94Å; S752-E851 VanDerWaalsContact CB-OE1 3.26Å; S752-E851 WeakPolarHBondContact CB-OE1 3.44Å; S752-E851 VanDerWaalsContact OG-CD 3.31Å; S752-E851 PolarHBondContact OG-OE1 3.35Å; L765-E851 HydrophobicContact CD2-CG 4.22Å; A847-E851 WeakPolarHBondContact O-CB 3.3Å; A847-E851 VanDerWaalsContact O-CG 3.23Å; A847-E851 WeakPolarHBondContact O-CG 3.49Å; A847-E851 PolarHBondContact O-N 3.26Å; E851-L854 WeakPolarHBondContact O-CG 3.29Å |
| 852 | R | 92.6 | Very high | 91.7 | Very high | 147 Ų | 147 | 36.2 Ų | 36.2 | 56% | 0.555 | 18% | 0.177 | S | C | * | . | trans | -91.8 | 167.1 | 174 | -62.6 | -177.4 | -180 | -153.3 | -2.7 | 111.7 | R815 S848 I850 L854 | R815-R852 WeakPolarHBondContact CD-O 3.37Å; R815-R852 PolarHBondContact NH1-O 3.11Å; S848-R852 PolarHBondContact O-NE 3.36Å; I850-R852 PolarHBondContact O-N 3.47Å; I850-R852 VanDerWaalsContact O-N 3.13Å; R852-L854 VanDerWaalsContact C-N 3.34Å; R852-L854 PolarHBondContact O-N 2.86Å | ||
| 853 | D | 94.4 | Very high | 91.6 | Very high | 82 Ų | 82 | 35.4 Ų | 35.4 | 44% | 0.439 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 58.5 | 41.4 | 173.6 | -62.8 | -69.9 | 0 | 0 | 0 | 114.2 | L777 S779 R815 | L777-D853 PolarHBondContact O-N 3.37Å; S779-D853 WeakPolarHBondContact CA-OD1 3.4Å; R815-D853 WeakPolarHBondContact CD-O 3.29Å |
| 854 | L | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 159.6 | 178.8 | -52.1 | -179.9 | 0 | 0 | 0 | 112.8 | L765 C767 L777 L778 S779 A813 R815 E851 R852 | L765-L854 HydrophobicContact CD2-CD2 3.82Å; C767-L854 HydrophobicContact CB-CD1 3.89Å; L777-L854 HydrophobicContact CB-CD1 3.87Å; L777-L854 HydrophobicContact CB-CG 4.29Å; L777-L854 HydrophobicContact CD1-CD1 4.46Å; L777-L854 PolarHBondContact O-N 2.89Å; L778-L854 CarbonylContact C-O 3.58Å; L778-L854 VanDerWaalsContact CA-O 3.23Å; L778-L854 WeakPolarHBondContact CA-O 3.45Å; L778-L854 HydrophobicContact CD2-CB 4.22Å; S779-L854 PolarHBondContact N-O 3.23Å; A813-L854 HydrophobicContact CB-CB 3.99Å; A813-L854 HydrophobicContact CB-CD1 4.1Å; R815-L854 HydrophobicContact CB-CD2 3.77Å; E851-L854 WeakPolarHBondContact O-CG 3.29Å; R852-L854 VanDerWaalsContact C-N 3.34Å; R852-L854 PolarHBondContact O-N 2.86Å |
| 855 | E | 93.9 | Very high | 91.2 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.9 | 171 | -60.2 | -175.7 | 142.9 | 0 | 0 | 109.8 | F782 A813 K814 L857 | F782-E855 HydrophobicContact CB-CG 4.37Å; F782-E855 HydrophobicContact CD2-CB 3.98Å; F782-E855 HydrophobicContact CD2-CG 4.04Å; F782-E855 HydrophobicContact CE2-CB 4.26Å; F782-E855 HydrophobicContact CG-CB 4.4Å; F782-E855 HydrophobicContact CG-CG 4.37Å; A813-E855 CarbonylContact C-O 3.53Å; A813-E855 WeakPolarHBondContact CA-O 3.4Å; A813-E855 VanDerWaalsContact CB-O 3.23Å; A813-E855 WeakPolarHBondContact CB-O 3.49Å; K814-E855 PolarHBondContact N-O 2.75Å; K814-E855 PolarHBondContact O-N 3.16Å; E855-L857 PolarHBondContact O-N 2.67Å |
| 856 | L | 94.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.3 | -176.8 | -175.8 | 70.3 | 0 | 0 | 0 | 110.6 | I774 F775 L778 F782 I792 T795 C811 | I774-L856 HydrophobicContact CG2-CD1 4.26Å; F775-L856 HydrophobicContact CE1-CD2 3.95Å; L778-L856 HydrophobicContact CD1-CB 4.16Å; L778-L856 HydrophobicContact CD2-CB 4Å; F782-L856 HydrophobicContact CE1-CB 3.61Å; F782-L856 HydrophobicContact CZ-CB 3.78Å; I792-L856 HydrophobicContact CG1-CD2 4.14Å; T795-L856 HydrophobicContact CG2-CD2 4.29Å; C811-L856 HydrophobicContact CB-CD1 4.35Å |
| 857 | L | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -38.9 | 172.4 | -60.2 | 167 | 0 | 0 | 0 | 110.9 | L485 H488 F489 N492 L812 K814 E855 | L485-L857 HydrophobicContact CD1-CD2 3.72Å; L485-L857 HydrophobicContact CG-CD2 3.89Å; H488-L857 HydrophobicContact CB-CD1 4.43Å; H488-L857 HydrophobicContact CB-CD2 3.69Å; F489-L857 HydrophobicContact CB-CB 4.44Å; F489-L857 HydrophobicContact CD2-CB 3.97Å; N492-L857 HydrophobicContact CB-CD1 4.02Å; L812-L857 HydrophobicContact CB-CB 4.41Å; L812-L857 HydrophobicContact CB-CD1 4.48Å; L812-L857 WeakPolarHBondContact O-CB 3.42Å; L812-L857 PolarHBondContact O-N 3.4Å; K814-L857 HydrophobicContact CB-CD1 4.17Å; K814-L857 HydrophobicContact CB-CD2 4.17Å; K814-L857 HydrophobicContact CB-CG 4.29Å; K814-L857 HydrophobicContact CD-CD2 4.14Å; K814-L857 HydrophobicContact CG-CD2 3.83Å; K814-L857 HydrophobicContact CG-CG 4.37Å; E855-L857 PolarHBondContact O-N 2.67Å |
| 858 | G | 93.8 | Very high | 91 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -155.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T422 L812 | T422-G858 CarbonylContact O-C 3.59Å; T422-G858 WeakPolarHBondContact O-CA 3.46Å; L812-G858 PolarHBondContact N-O 3.31Å; L812-G858 PolarHBondContact O-N 3.21Å |
| 859 | T | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 151 | 175 | -159.7 | 0 | 0 | 0 | 0 | 111.6 | C421 T422 T795 L799 Y802 L810 | C421-T859 CarbonylContact C-O 3.55Å; C421-T859 VanDerWaalsContact CA-O 3.23Å; C421-T859 WeakPolarHBondContact CA-O 3.3Å; C421-T859 WeakPolarHBondContact CB-O 3.21Å; T422-T859 PolarHBondContact N-O 2.86Å; T422-T859 PolarHBondContact O-N 3.39Å; T795-T859 HydrophobicContact CG2-CG2 3.82Å; L799-T859 HydrophobicContact CD2-CG2 4.01Å; L799-T859 WeakPolarHBondContact CD2-OG1 3.42Å; L799-T859 HydrophobicContact CG-CG2 4.19Å; Y802-T859 HydrophobicContact CD2-CG2 4.13Å; Y802-T859 HydrophobicContact CE2-CG2 3.78Å; L810-T859 VanDerWaalsContact C-OG1 3.25Å; L810-T859 CarbonylContact O-C 3.55Å; L810-T859 WeakPolarHBondContact O-CA 3.47Å; L810-T859 PolarHBondContact O-OG1 2.92Å |
| 860 | T | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 163 | 170.5 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | F418 C421 F489 M493 L705 T809 L810 L812 | F418-T860 HydrophobicContact CE2-CG2 3.75Å; C421-T860 HydrophobicContact CB-CG2 4.38Å; F489-T860 HydrophobicContact CE1-CG2 4.14Å; F489-T860 HydrophobicContact CE2-CG2 4.49Å; F489-T860 HydrophobicContact CZ-CG2 3.58Å; M493-T860 HydrophobicContact CE-CG2 4.34Å; M493-T860 HydrophobicContact CG-CG2 4.45Å; M493-T860 HydrophobicContact SD-CG2 3.82Å; L705-T860 HydrophobicContact CD2-CG2 3.78Å; T809-T860 WeakPolarHBondContact CA-O 3.42Å; L810-T860 PolarHBondContact N-O 3.24Å; L810-T860 PolarHBondContact O-N 3.49Å; L810-T860 PolarHBondContact O-OG1 3.2Å; L812-T860 HydrophobicContact CD1-CG2 3.67Å |
| 861 | A | 89.8 | Confident | 91 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 118 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K419 R420 Y802 L807 R808 | K419-A861 PolarHBondContact N-O 3.11Å; R420-A861 HydrophobicContact CB-CB 4.12Å; R420-A861 PolarHBondContact N-O 3.31Å; R420-A861 PolarHBondContact O-N 3.16Å; Y802-A861 HydrophobicContact CD1-CB 4.45Å; Y802-A861 HydrophobicContact CD2-CB 3.59Å; Y802-A861 HydrophobicContact CE2-CB 4.06Å; Y802-A861 HydrophobicContact CG-CB 3.79Å; L807-A861 HydrophobicContact CB-CB 3.82Å; L807-A861 HydrophobicContact CD1-CB 3.64Å; L807-A861 HydrophobicContact CG-CB 4.35Å; R808-A861 WeakPolarHBondContact O-CA 3.47Å |
| 862 | V | 87 | Confident | 91 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.3 | -174.3 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | M416 V417 A704 L705 L807 R808 | M416-V862 HydrophobicContact CB-CG1 3.86Å; M416-V862 HydrophobicContact SD-CG1 4.35Å; V417-V862 CarbonylContact O-C 3.58Å; V417-V862 WeakPolarHBondContact O-CA 3.37Å; A704-V862 HydrophobicContact CB-CG1 4.12Å; L705-V862 HydrophobicContact CD2-CG2 4.39Å; L807-V862 CarbonylContact C-O 3.51Å; L807-V862 WeakPolarHBondContact CA-O 2.95Å; R808-V862 PolarHBondContact N-O 3.44Å; R808-V862 PolarHBondContact O-N 3.36Å |
| 863 | E | 84.6 | Confident | 91.2 | Very high | 53 Ų | 53 | 25.9 Ų | 25.9 | 25% | 0.248 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.6 | 175 | -178.6 | -178.5 | -85 | 0 | 0 | 110.8 | M416 V417 K419 L807 | M416-E863 CarbonylContact C-O 3.58Å; M416-E863 WeakPolarHBondContact CA-O 3.29Å; V417-E863 PolarHBondContact N-O 2.74Å; V417-E863 PolarHBondContact O-N 3.19Å; K419-E863 VanDerWaalsContact CE-OE1 3.24Å; K419-E863 WeakPolarHBondContact CE-OE1 3.29Å; K419-E863 WeakPolarHBondContact CE-OE2 3.31Å; K419-E863 HydrophobicContact CG-CB 3.79Å; K419-E863 IonicContact NZ-OE1 2.75Å; K419-E863 PolarHBondContact NZ-OE1 2.73Å; K419-E863 IonicContact NZ-OE2 3.08Å; K419-E863 PolarHBondContact NZ-OE2 3.25Å; L807-E863 HydrophobicContact CD2-CB 3.73Å; L807-E863 HydrophobicContact CD2-CG 4.4Å |
| 864 | D | 82 | Confident | 91.2 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 93.7 | 165.2 | -177.3 | 6.8 | 0 | 0 | 0 | 107.2 | K407 T412 M416 R808 L866 I898 | K407-D864 IonicContact NZ-OD2 2.65Å; K407-D864 PolarHBondContact NZ-OD2 3.49Å; T412-D864 WeakPolarHBondContact CB-OD1 3.2Å; T412-D864 WeakPolarHBondContact CG2-OD1 3.48Å; T412-D864 PolarHBondContact OG1-OD1 2.82Å; M416-D864 HydrophobicContact CE-CB 3.73Å; M416-D864 WeakPolarHBondContact CE-OD1 3.29Å; M416-D864 HydrophobicContact SD-CB 3.81Å; R808-D864 IonicContact NH2-OD2 3.54Å; D864-L866 PolarHBondContact O-N 3.47Å; D864-I898 HydrophobicContact CB-CD1 4.3Å; D864-I898 WeakPolarHBondContact O-CD1 3.42Å |
| 865 | R | 84.1 | Confident | 91 | Very high | 55 Ų | 55 | 24 Ų | 24 | 21% | 0.208 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131.2 | -161.9 | -171.7 | -171.5 | 172.6 | 100.3 | -2.5 | 112.1 | T412 E413 L415 V417 | T412-R865 CarbonylContact C-O 3.58Å; T412-R865 WeakPolarHBondContact CA-O 3.31Å; T412-R865 WeakPolarHBondContact CB-O 3.48Å; E413-R865 PolarHBondContact N-O 3.19Å; E413-R865 IonicContact OE2-NE 2.94Å; E413-R865 PolarHBondContact OE2-NE 3.2Å; L415-R865 HydrophobicContact CB-CB 4.35Å; L415-R865 HydrophobicContact CG-CB 4.19Å; L415-R865 VanDerWaalsContact O-CB 3.32Å; L415-R865 WeakPolarHBondContact O-CB 3.36Å; L415-R865 PolarHBondContact O-N 3.38Å; V417-R865 HydrophobicContact CG2-CB 4.31Å |
| 866 | L | 89 | Confident | 90.9 | Very high | 31 Ų | 31 | 20.8 Ų | 20.8 | 16% | 0.162 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 150.3 | 173.3 | -65.4 | -179 | 0 | 0 | 0 | 112.6 | L411 T412 D864 V870 P871 I898 A901 C902 | L411-L866 WeakPolarHBondContact O-CA 3.48Å; T412-L866 HydrophobicContact CG2-CD2 4.19Å; D864-L866 PolarHBondContact O-N 3.47Å; L866-V870 HydrophobicContact CD1-CG1 4.4Å; L866-V870 HydrophobicContact CD2-CG1 4.42Å; L866-P871 HydrophobicContact CD1-CG 3.9Å; L866-I898 HydrophobicContact CD2-CD1 4.26Å; L866-I898 HydrophobicContact CD2-CG2 4.1Å; L866-A901 HydrophobicContact CD1-CB 4.05Å; L866-A901 WeakPolarHBondContact CD1-O 3.39Å; L866-C902 HydrophobicContact CD1-CB 3.96Å; L866-C902 HydrophobicContact CD2-CB 4.33Å |
| 867 | Q | 89.5 | Confident | 90.8 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 143.3 | 167.5 | -56.3 | -169.1 | 2.7 | 0 | 0 | 110.7 | G409 T410 L411 T412 E413 G869 V870 R1062 | G409-Q867 PolarHBondContact O-NE2 3.44Å; T410-Q867 PolarHBondContact O-NE2 3.22Å; L411-Q867 PolarHBondContact O-N 2.94Å; T412-Q867 WeakPolarHBondContact O-CG 3.49Å; E413-Q867 HydrophobicContact CG-CB 4.23Å; E413-Q867 HydrophobicContact CG-CG 3.92Å; Q867-G869 PolarHBondContact O-N 3.23Å; Q867-V870 HydrophobicContact CB-CG2 3.76Å; Q867-V870 WeakPolarHBondContact O-CB 3.45Å; Q867-V870 WeakPolarHBondContact O-CG2 3.42Å; Q867-V870 PolarHBondContact O-N 3.3Å; Q867-R1062 VanDerWaalsContact OE1-CA 3.32Å |
| 868 | P | 88.6 | Confident | 90.6 | Very high | 54 Ų | 54 | 22.8 Ų | 22.8 | 35% | 0.351 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 131.5 | 179.7 | 24 | -34.4 | 0 | 0 | 0 | 110.9 | E413 K1064 | E413-P868 WeakPolarHBondContact OE1-CD 3.47Å; P868-K1064 WeakPolarHBondContact O-CB 3.36Å; P868-K1064 WeakPolarHBondContact O-CD 3.36Å |
| 869 | G | 90.9 | Very high | 90.2 | Very high | 28 Ų | 28 | 25.2 Ų | 25.2 | 29% | 0.289 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 4.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q867 E872 C873 | Q867-G869 PolarHBondContact O-N 3.23Å; G869-E872 WeakPolarHBondContact CA-OE2 3.44Å; G869-C873 WeakPolarHBondContact O-CB 3.25Å; G869-C873 PolarHBondContact O-N 3.3Å |
| 870 | V | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.8 | -50.6 | 179 | 159.8 | 0 | 0 | 0 | 0 | 113.4 | L411 L866 Q867 E872 C873 I874 C902 F1063 | L411-V870 HydrophobicContact CD2-CG1 3.97Å; L411-V870 HydrophobicContact CD2-CG2 4.41Å; L866-V870 HydrophobicContact CD1-CG1 4.4Å; L866-V870 HydrophobicContact CD2-CG1 4.42Å; Q867-V870 HydrophobicContact CB-CG2 3.76Å; Q867-V870 WeakPolarHBondContact O-CB 3.45Å; Q867-V870 WeakPolarHBondContact O-CG2 3.42Å; Q867-V870 PolarHBondContact O-N 3.3Å; V870-E872 VanDerWaalsContact C-N 3.29Å; V870-E872 PolarHBondContact O-N 3.09Å; V870-C873 PolarHBondContact O-N 3.14Å; V870-I874 HydrophobicContact CG1-CD1 4.04Å; V870-I874 PolarHBondContact O-N 3.26Å; V870-C902 HydrophobicContact CG1-CB 3.8Å; V870-F1063 HydrophobicContact CG2-CB 3.83Å; V870-F1063 HydrophobicContact CG2-CD1 3.92Å; V870-F1063 HydrophobicContact CG2-CG 4.13Å |
| 871 | P | 91.8 | Very high | 89.4 | Confident | 25 Ų | 25 | 25.7 Ų | 25.7 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -36.6 | -178.6 | -22 | 32.6 | 0 | 0 | 0 | 113.3 | L866 A875 | L866-P871 HydrophobicContact CD1-CG 3.9Å; P871-A875 VanDerWaalsContact O-CB 3.3Å; P871-A875 WeakPolarHBondContact O-CB 3.15Å; P871-A875 PolarHBondContact O-N 3.27Å |
| 872 | E | 94 | Very high | 89.4 | Confident | 114 Ų | 114 | 25.8 Ų | 25.8 | 53% | 0.533 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -72.2 | -41.9 | 177.6 | -56.7 | 76.9 | -171 | 0 | 0 | 111.2 | G869 V870 A875 A876 | G869-E872 WeakPolarHBondContact CA-OE2 3.44Å; V870-E872 VanDerWaalsContact C-N 3.29Å; V870-E872 PolarHBondContact O-N 3.09Å; E872-A875 PolarHBondContact O-N 3.5Å; E872-A876 VanDerWaalsContact O-CB 3.28Å; E872-A876 WeakPolarHBondContact O-CB 3.32Å; E872-A876 PolarHBondContact O-N 3.48Å |
| 873 | C | 95.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 111 | G869 V870 A876 L877 F1063 Q1067 | G869-C873 WeakPolarHBondContact O-CB 3.25Å; G869-C873 PolarHBondContact O-N 3.3Å; V870-C873 PolarHBondContact O-N 3.14Å; C873-A876 PolarHBondContact O-N 3.49Å; C873-L877 WeakPolarHBondContact O-CB 3.32Å; C873-L877 WeakPolarHBondContact O-CG 3.22Å; C873-L877 PolarHBondContact O-N 3.17Å; C873-F1063 HydrophobicContact CB-CD1 4.2Å; C873-F1063 HydrophobicContact CB-CE1 4.25Å; C873-F1063 VanDerWaalsContact SG-CE1 3.56Å; C873-Q1067 HydrophobicContact CB-CB 4.36Å |
| 874 | I | 94 | Very high | 89.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 178.1 | -74.6 | 178.8 | 0 | 0 | 0 | 111.4 | L411 V870 A876 L877 R878 I884 C902 L904 F1063 | L411-I874 HydrophobicContact CD1-CD1 4.48Å; L411-I874 HydrophobicContact CD2-CD1 4.07Å; V870-I874 HydrophobicContact CG1-CD1 4.04Å; V870-I874 PolarHBondContact O-N 3.26Å; I874-A876 VanDerWaalsContact C-N 3.34Å; I874-A876 PolarHBondContact O-N 3.12Å; I874-L877 PolarHBondContact O-N 3.35Å; I874-R878 HydrophobicContact CG2-CG 4.42Å; I874-R878 WeakPolarHBondContact O-CB 3.42Å; I874-R878 WeakPolarHBondContact O-CG 3.37Å; I874-R878 PolarHBondContact O-N 3.2Å; I874-I884 HydrophobicContact CB-CD1 4.41Å; I874-I884 HydrophobicContact CG1-CD1 4.34Å; I874-I884 HydrophobicContact CG2-CD1 4.08Å; I874-C902 WeakPolarHBondContact CB-O 3.12Å; I874-C902 HydrophobicContact CD1-CB 3.88Å; I874-C902 VanDerWaalsContact CG2-O 3.25Å; I874-C902 WeakPolarHBondContact CG2-O 3.47Å; I874-L904 HydrophobicContact CG2-CB 4.46Å; I874-F1063 HydrophobicContact CD1-CE1 4.43Å; I874-F1063 HydrophobicContact CG1-CE1 3.92Å; I874-F1063 HydrophobicContact CG1-CZ 4.35Å |
| 875 | A | 90.7 | Very high | 90.6 | Very high | 42 Ų | 42 | 25 Ų | 25 | 35% | 0.347 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | P871 E872 S879 | P871-A875 VanDerWaalsContact O-CB 3.3Å; P871-A875 WeakPolarHBondContact O-CB 3.15Å; P871-A875 PolarHBondContact O-N 3.27Å; E872-A875 PolarHBondContact O-N 3.5Å; A875-S879 WeakPolarHBondContact O-CB 3.22Å; A875-S879 PolarHBondContact O-N 3.28Å; A875-S879 PolarHBondContact O-OG 3.28Å |
| 876 | A | 91.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 7% | 0.066 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E872 C873 I874 S879 A880 Q1067 L1071 P1150 | E872-A876 VanDerWaalsContact O-CB 3.28Å; E872-A876 WeakPolarHBondContact O-CB 3.32Å; E872-A876 PolarHBondContact O-N 3.48Å; C873-A876 PolarHBondContact O-N 3.49Å; I874-A876 VanDerWaalsContact C-N 3.34Å; I874-A876 PolarHBondContact O-N 3.12Å; A876-S879 WeakPolarHBondContact CA-OG 3.3Å; A876-S879 PolarHBondContact O-N 2.94Å; A876-S879 PolarHBondContact O-OG 3.47Å; A876-S879 VanDerWaalsContact O-OG 3.06Å; A876-A880 PolarHBondContact O-N 2.77Å; A876-Q1067 HydrophobicContact CB-CG 3.89Å; A876-L1071 HydrophobicContact CB-CD1 4.3Å; A876-P1150 HydrophobicContact CB-CB 4.47Å; A876-P1150 HydrophobicContact CB-CG 3.91Å; A876-P1150 WeakPolarHBondContact O-CB 3.42Å |
| 877 | L | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.7 | -36.9 | 178.8 | -67.1 | 167.8 | 0 | 0 | 0 | 112 | I403 C873 I874 A880 G881 I882 I884 L1066 L1070 | I403-L877 HydrophobicContact CD1-CD1 3.89Å; I403-L877 HydrophobicContact CD1-CD2 4.22Å; I403-L877 HydrophobicContact CD1-CG 4.45Å; C873-L877 WeakPolarHBondContact O-CB 3.32Å; C873-L877 WeakPolarHBondContact O-CG 3.22Å; C873-L877 PolarHBondContact O-N 3.17Å; I874-L877 PolarHBondContact O-N 3.35Å; L877-A880 WeakPolarHBondContact O-CB 3.46Å; L877-A880 PolarHBondContact O-N 3.15Å; L877-G881 PolarHBondContact O-N 2.77Å; L877-I882 HydrophobicContact CB-CD1 4.37Å; L877-I882 HydrophobicContact CD2-CD1 3.64Å; L877-I882 WeakPolarHBondContact O-CB 3.43Å; L877-I882 PolarHBondContact O-N 2.7Å; L877-I884 HydrophobicContact CB-CD1 3.7Å; L877-L1066 HydrophobicContact CD1-CD2 4.13Å; L877-L1066 HydrophobicContact CD1-CG 4.36Å; L877-L1070 HydrophobicContact CD2-CB 4.45Å; L877-L1070 HydrophobicContact CD2-CD1 3.86Å |
| 878 | R | 89.3 | Confident | 91.2 | Very high | 47 Ų | 47 | 20.5 Ų | 20.5 | 18% | 0.177 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 170 | -73 | -177.7 | 80.3 | -165.1 | 7.5 | 112 | I874 G881 I884 N903 L904 N906 D909 | I874-R878 HydrophobicContact CG2-CG 4.42Å; I874-R878 WeakPolarHBondContact O-CB 3.42Å; I874-R878 WeakPolarHBondContact O-CG 3.37Å; I874-R878 PolarHBondContact O-N 3.2Å; R878-G881 WeakPolarHBondContact O-CA 3.34Å; R878-G881 PolarHBondContact O-N 3.49Å; R878-I884 HydrophobicContact CG-CD1 3.96Å; R878-I884 HydrophobicContact CG-CG1 4.48Å; R878-N903 PolarHBondContact NH1-O 3.47Å; R878-L904 PolarHBondContact NH1-O 3.49Å; R878-L904 PolarHBondContact NH2-O 3.24Å; R878-N906 PolarHBondContact NH1-ND2 3.4Å; R878-D909 IonicContact NH2-OD2 2.74Å; R878-D909 PolarHBondContact NH2-OD2 3.04Å |
| 879 | S | 85.1 | Confident | 90.7 | Very high | 51 Ų | 51 | 20 Ų | 20 | 36% | 0.357 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -76.7 | -19.9 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | A875 A876 G881 H1151 | A875-S879 WeakPolarHBondContact O-CB 3.22Å; A875-S879 PolarHBondContact O-N 3.28Å; A875-S879 PolarHBondContact O-OG 3.28Å; A876-S879 WeakPolarHBondContact CA-OG 3.3Å; A876-S879 PolarHBondContact O-N 2.94Å; A876-S879 PolarHBondContact O-OG 3.47Å; A876-S879 VanDerWaalsContact O-OG 3.06Å; S879-G881 PolarHBondContact O-N 2.92Å; S879-H1151 WeakPolarHBondContact O-CA 3.29Å |
| 880 | A | 87 | Confident | 90 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A876 L877 I882 L1071 P1150 Y1153 R1157 | A876-A880 PolarHBondContact O-N 2.77Å; L877-A880 WeakPolarHBondContact O-CB 3.46Å; L877-A880 PolarHBondContact O-N 3.15Å; A880-I882 HydrophobicContact CB-CD1 4.04Å; A880-I882 HydrophobicContact CB-CG1 4.12Å; A880-L1071 HydrophobicContact CB-CD2 3.73Å; A880-P1150 WeakPolarHBondContact CA-O 3.28Å; A880-P1150 HydrophobicContact CB-CB 4.03Å; A880-P1150 VanDerWaalsContact CB-O 3.3Å; A880-P1150 WeakPolarHBondContact CB-O 3.4Å; A880-Y1153 HydrophobicContact CB-CD1 4.28Å; A880-Y1153 HydrophobicContact CB-CG 4.44Å; A880-R1157 PolarHBondContact O-NH2 3.28Å |
| 881 | G | 83.4 | Confident | 88.8 | Confident | 10 Ų | 10 | 25.8 Ų | 25.8 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 20.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L877 R878 S879 R1157 | L877-G881 PolarHBondContact O-N 2.77Å; R878-G881 WeakPolarHBondContact O-CA 3.34Å; R878-G881 PolarHBondContact O-N 3.49Å; S879-G881 PolarHBondContact O-N 2.92Å; G881-R1157 VanDerWaalsContact CA-NH2 3.28Å; G881-R1157 PolarHBondContact O-NH1 3.39Å; G881-R1157 PolarHBondContact O-NH2 2.93Å |
| 882 | I | 89.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | trans | -78.8 | 128.8 | 176.3 | -56.1 | 165.6 | 0 | 0 | 0 | 107.2 | V400 I403 L877 A880 Y1153 | V400-I882 HydrophobicContact CG1-CG2 4.32Å; I403-I882 HydrophobicContact CB-CG2 4.44Å; I403-I882 HydrophobicContact CD1-CD1 4.45Å; I403-I882 HydrophobicContact CD1-CG2 3.73Å; I403-I882 HydrophobicContact CG1-CG2 3.73Å; L877-I882 HydrophobicContact CB-CD1 4.37Å; L877-I882 HydrophobicContact CD2-CD1 3.64Å; L877-I882 WeakPolarHBondContact O-CB 3.43Å; L877-I882 PolarHBondContact O-N 2.7Å; A880-I882 HydrophobicContact CB-CD1 4.04Å; A880-I882 HydrophobicContact CB-CG1 4.12Å; I882-Y1153 HydrophobicContact CD1-CD1 3.8Å; I882-Y1153 HydrophobicContact CD1-CE1 3.59Å; I882-Y1153 HydrophobicContact CG1-CD1 4.01Å; I882-Y1153 HydrophobicContact CG1-CE1 3.91Å | ||
| 883 | N | 90.5 | Very high | 87.2 | Confident | 37 Ų | 37 | 25.6 Ų | 25.6 | 20% | 0.198 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.6 | 175.5 | -69.9 | -7.2 | 0 | 0 | 0 | 108.6 | E401 H402 I403 P995 | E401-N883 PolarHBondContact O-N 2.94Å; H402-N883 CarbonylContact C-O 3.47Å; H402-N883 WeakPolarHBondContact CA-O 3.31Å; H402-N883 PolarHBondContact CE1-ND2 3.38Å; H402-N883 VanDerWaalsContact CE1-ND2 3.34Å; H402-N883 PolarHBondContact NE2-ND2 3.43Å; I403-N883 PolarHBondContact N-O 2.99Å; N883-P995 WeakPolarHBondContact CA-O 3.44Å |
| 884 | I | 93.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.3 | -177 | -56.8 | 178.9 | 0 | 0 | 0 | 108.4 | I403 I874 L877 R878 L904 P995 A996 V997 | I403-I884 WeakPolarHBondContact O-CA 3.48Å; I874-I884 HydrophobicContact CB-CD1 4.41Å; I874-I884 HydrophobicContact CG1-CD1 4.34Å; I874-I884 HydrophobicContact CG2-CD1 4.08Å; L877-I884 HydrophobicContact CB-CD1 3.7Å; R878-I884 HydrophobicContact CG-CD1 3.96Å; R878-I884 HydrophobicContact CG-CG1 4.48Å; I884-L904 HydrophobicContact CB-CD1 3.85Å; I884-L904 HydrophobicContact CG2-CD1 3.94Å; I884-L904 WeakPolarHBondContact O-CD1 3.5Å; I884-P995 PolarHBondContact N-O 2.9Å; I884-P995 VanDerWaalsContact N-O 3.09Å; I884-A996 WeakPolarHBondContact O-CA 3.45Å; I884-V997 PolarHBondContact O-N 3.19Å |
| 885 | W | 94.7 | Very high | 85.6 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.5 | -179.1 | -63.7 | 17.4 | 0 | 0 | 0 | 108.4 | H402 I403 L404 S405 L887 I991 V997 V1010 V1014 L1018 | H402-W885 AromaticContact CD2-CE2 3.7Å; H402-W885 AromaticContact CD2-CZ2 3.76Å; H402-W885 AromaticContact CD2-NE1 3.61Å; H402-W885 AromaticContact NE2-CZ2 3.94Å; I403-W885 PolarHBondContact O-N 3Å; L404-W885 CarbonylContact C-O 3.56Å; L404-W885 WeakPolarHBondContact CA-O 3.38Å; L404-W885 HydrophobicContact CD2-CB 4.34Å; L404-W885 HydrophobicContact CD2-CD2 4.42Å; L404-W885 HydrophobicContact CD2-CE3 3.94Å; L404-W885 HydrophobicContact CG-CB 4.28Å; S405-W885 PolarHBondContact N-O 2.93Å; W885-L887 HydrophobicContact CB-CD2 4.4Å; W885-I991 HydrophobicContact CH2-CG2 3.37Å; W885-I991 HydrophobicContact CZ2-CG2 3.18Å; W885-I991 HydrophobicContact CZ3-CG2 4.49Å; W885-V997 CarbonylContact C-O 3.57Å; W885-V997 WeakPolarHBondContact CA-O 3.15Å; W885-V997 HydrophobicContact CB-CB 4.25Å; W885-V997 HydrophobicContact CD2-CB 3.79Å; W885-V997 HydrophobicContact CD2-CG1 4.33Å; W885-V997 HydrophobicContact CD2-CG2 3.92Å; W885-V997 HydrophobicContact CE3-CB 4.34Å; W885-V997 HydrophobicContact CE3-CG1 4.39Å; W885-V997 HydrophobicContact CG-CB 3.69Å; W885-V997 HydrophobicContact CG-CG2 4.08Å; W885-V997 HydrophobicContact CZ2-CG2 4.24Å; W885-V1010 HydrophobicContact CE3-CG1 3.55Å; W885-V1010 HydrophobicContact CZ3-CG1 3.51Å; W885-V1014 HydrophobicContact CE3-CG2 4.03Å; W885-V1014 HydrophobicContact CH2-CG2 3.18Å; W885-V1014 HydrophobicContact CZ2-CG2 3.81Å; W885-V1014 HydrophobicContact CZ3-CG2 3.34Å; W885-L1018 HydrophobicContact CH2-CD1 4.34Å; W885-L1018 HydrophobicContact CZ2-CD1 4.29Å |
| 886 | V | 95.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.4 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 108.8 | S405 K407 L411 L904 V997 L998 C999 | S405-V886 CarbonylContact O-C 3.51Å; S405-V886 VanDerWaalsContact O-CA 3.31Å; S405-V886 WeakPolarHBondContact O-CA 3.32Å; K407-V886 HydrophobicContact CB-CG1 3.94Å; L411-V886 HydrophobicContact CD1-CG1 4.47Å; L411-V886 HydrophobicContact CD1-CG2 3.7Å; V886-L904 HydrophobicContact CB-CD2 4.02Å; V886-L904 HydrophobicContact CG2-CD2 3.58Å; V886-V997 PolarHBondContact N-O 2.97Å; V886-L998 HydrophobicContact CB-CD1 3.75Å; V886-L998 HydrophobicContact CG1-CD1 3.74Å; V886-L998 CarbonylContact O-C 3.54Å; V886-L998 WeakPolarHBondContact O-CA 3.37Å; V886-C999 PolarHBondContact O-N 2.63Å |
| 887 | L | 93 | Very high | 84.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 107.2 | -178.2 | -43.8 | -177 | 0 | 0 | 0 | 107.9 | L404 S405 W885 C999 K1007 V1010 M1034 | L404-L887 HydrophobicContact CB-CD1 4.33Å; L404-L887 HydrophobicContact CD2-CD1 3.98Å; S405-L887 PolarHBondContact O-N 2.99Å; W885-L887 HydrophobicContact CB-CD2 4.4Å; L887-C999 WeakPolarHBondContact CA-O 3.35Å; L887-C999 HydrophobicContact CB-CB 4.42Å; L887-C999 HydrophobicContact CD2-CB 3.47Å; L887-C999 VanDerWaalsContact CD2-CB 3.47Å; L887-K1007 HydrophobicContact CB-CG 4.05Å; L887-K1007 HydrophobicContact CD1-CB 4.32Å; L887-K1007 WeakPolarHBondContact O-CE 3.49Å; L887-V1010 HydrophobicContact CD1-CB 3.75Å; L887-V1010 HydrophobicContact CD1-CG1 3.89Å; L887-V1010 HydrophobicContact CD1-CG2 4.2Å; L887-V1010 HydrophobicContact CD2-CB 4.4Å; L887-V1010 HydrophobicContact CD2-CG1 3.9Å; L887-V1010 HydrophobicContact CD2-CG2 4.36Å; L887-M1034 HydrophobicContact CD1-SD 3.84Å |
| 888 | T | 88.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -129.7 | 157.5 | -173.7 | -173 | 0 | 0 | 0 | 0 | 112.5 | K407 D890 A895 C999 T1000 R1001 S1002 | K407-T888 HydrophobicContact CB-CG2 4.37Å; T888-D890 HydrophobicContact CG2-CB 4.11Å; T888-D890 PolarHBondContact OG1-N 2.6Å; T888-A895 HydrophobicContact CG2-CB 3.83Å; T888-C999 PolarHBondContact N-O 3.08Å; T888-T1000 CarbonylContact O-C 3.46Å; T888-R1001 PolarHBondContact O-N 2.88Å; T888-S1002 PolarHBondContact N-OG 3.03Å; T888-S1002 PolarHBondContact O-N 3.15Å; T888-S1002 PolarHBondContact O-OG 2.72Å | ||
| 889 | G | 78.4 | Confident | 84.3 | Confident | 45 Ų | 45 | 24.5 Ų | 24.5 | 46% | 0.464 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -79.8 | -15.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1001 | G889-R1001 WeakPolarHBondContact O-CA 3.08Š|
| 890 | D | 74.5 | Confident | 84.3 | Confident | 26 Ų | 26 | 25.8 Ų | 25.8 | 14% | 0.139 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -66 | 165.9 | -174.7 | -150.3 | -19.8 | 0 | 0 | 0 | 112.7 | K407 R808 T888 T894 R1001 | K407-D890 IonicContact NZ-OD2 2.72Å; K407-D890 PolarHBondContact NZ-OD2 3.02Å; R808-D890 IonicContact NH2-OD1 2.74Å; R808-D890 IonicContact NH2-OD2 3.32Å; R808-D890 PolarHBondContact NH2-OD2 3.14Å; R808-D890 VanDerWaalsContact NH2-OD2 3.07Å; T888-D890 HydrophobicContact CG2-CB 4.11Å; T888-D890 PolarHBondContact OG1-N 2.6Å; D890-T894 WeakPolarHBondContact OD2-CG2 3.39Å; D890-R1001 PolarHBondContact O-N 2.87Å; D890-R1001 VanDerWaalsContact O-N 3.16Å |
| 891 | K | 70.4 | Confident | 84.2 | Confident | 122 Ų | 122 | 28.1 Ų | 28.1 | 53% | 0.53 | 16% | 0.158 | S | C | . | . | trans | -64.8 | 151.5 | 178.8 | -66.7 | 174.2 | -174.7 | 163.5 | 0 | 111.5 | E893 T894 A895 | K891-E893 VanDerWaalsContact C-N 3.28Å; K891-E893 PolarHBondContact O-N 2.9Å; K891-T894 PolarHBondContact O-N 2.91Å; K891-A895 WeakPolarHBondContact O-CB 3.47Å; K891-A895 PolarHBondContact O-N 3.34Å | ||
| 892 | T | 80.3 | Confident | 84.4 | Confident | 26 Ų | 26 | 27.7 Ų | 27.7 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -49.5 | -46 | 179.4 | 18.1 | 0 | 0 | 0 | 0 | 112.8 | V896 T1000 R1001 | T892-V896 WeakPolarHBondContact O-CG2 3.47Å; T892-V896 PolarHBondContact O-N 3.47Å; T892-V896 VanDerWaalsContact O-N 3.12Å; T892-T1000 HydrophobicContact CG2-CG2 4.34Å; T892-T1000 WeakPolarHBondContact CG2-OG1 3.35Å; T892-R1001 PolarHBondContact OG1-NH2 2.74Å |
| 893 | E | 71.3 | Confident | 84.2 | Confident | 110 Ų | 110 | 30.8 Ų | 30.8 | 51% | 0.514 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -73.6 | -49.8 | -173.3 | -52.5 | 68.4 | -139.3 | 0 | 0 | 110.4 | K891 A895 V896 N897 | K891-E893 VanDerWaalsContact C-N 3.28Å; K891-E893 PolarHBondContact O-N 2.9Å; E893-A895 VanDerWaalsContact C-N 3.31Å; E893-A895 PolarHBondContact O-N 2.92Å; E893-V896 PolarHBondContact O-N 3Å; E893-N897 VanDerWaalsContact O-CB 3.25Å; E893-N897 WeakPolarHBondContact O-CB 3.48Å; E893-N897 PolarHBondContact O-N 2.85Å |
| 894 | T | 73.8 | Confident | 84.2 | Confident | 22 Ų | 22 | 29 Ų | 29 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | 177 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | R808 D890 K891 N897 I898 | R808-T894 HydrophobicContact CG-CG2 4.31Å; D890-T894 WeakPolarHBondContact OD2-CG2 3.39Å; K891-T894 PolarHBondContact O-N 2.91Å; T894-N897 WeakPolarHBondContact O-CB 3.46Å; T894-I898 WeakPolarHBondContact O-CG1 3.43Å; T894-I898 PolarHBondContact O-N 3.49Å |
| 895 | A | 83.5 | Confident | 83.9 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.7 | -43 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T888 K891 E893 N897 I898 A899 L998 T1000 | T888-A895 HydrophobicContact CG2-CB 3.83Å; K891-A895 WeakPolarHBondContact O-CB 3.47Å; K891-A895 PolarHBondContact O-N 3.34Å; E893-A895 VanDerWaalsContact C-N 3.31Å; E893-A895 PolarHBondContact O-N 2.92Å; A895-N897 VanDerWaalsContact C-N 3.28Å; A895-N897 PolarHBondContact O-N 3.17Å; A895-I898 PolarHBondContact O-N 2.89Å; A895-A899 WeakPolarHBondContact O-CB 3.41Å; A895-A899 PolarHBondContact O-N 3.31Å; A895-L998 VanDerWaalsContact C-CD2 3.43Å; A895-L998 HydrophobicContact CB-CD1 4.16Å; A895-L998 HydrophobicContact CB-CD2 3.87Å; A895-L998 HydrophobicContact CB-CG 4.31Å; A895-T1000 HydrophobicContact CB-CG2 3.7Å |
| 896 | V | 84.6 | Confident | 83.2 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 174.6 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | T892 E893 A899 Y900 L911 Y913 V969 L998 | T892-V896 WeakPolarHBondContact O-CG2 3.47Å; T892-V896 PolarHBondContact O-N 3.47Å; T892-V896 VanDerWaalsContact O-N 3.12Å; E893-V896 PolarHBondContact O-N 3Å; V896-A899 WeakPolarHBondContact O-CB 3.24Å; V896-A899 PolarHBondContact O-N 2.99Å; V896-Y900 HydrophobicContact CG1-CD2 3.93Å; V896-Y900 HydrophobicContact CG1-CE2 3.61Å; V896-Y900 WeakPolarHBondContact O-CD2 3.46Å; V896-Y900 PolarHBondContact O-N 3.46Å; V896-L911 HydrophobicContact CG1-CD1 3.88Å; V896-Y913 HydrophobicContact CG2-CE1 4.42Å; V896-V969 HydrophobicContact CG2-CB 4.49Å; V896-V969 HydrophobicContact CG2-CG1 3.89Å; V896-V969 HydrophobicContact CG2-CG2 3.76Å; V896-L998 HydrophobicContact CB-CD2 4.26Å; V896-L998 HydrophobicContact CG2-CD2 3.62Å |
| 897 | N | 78.6 | Confident | 82.2 | Confident | 27 Ų | 27 | 37 Ų | 37 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.5 | -84.7 | 1.8 | 0 | 0 | 0 | 113.6 | S803 E893 T894 A895 A899 Y900 A901 | S803-N897 VanDerWaalsContact O-CG 3.25Å; S803-N897 PolarHBondContact O-ND2 2.79Å; S803-N897 PolarHBondContact O-OD1 3.35Å; S803-N897 VanDerWaalsContact O-OD1 3.09Å; E893-N897 VanDerWaalsContact O-CB 3.25Å; E893-N897 WeakPolarHBondContact O-CB 3.48Å; E893-N897 PolarHBondContact O-N 2.85Å; T894-N897 WeakPolarHBondContact O-CB 3.46Å; A895-N897 VanDerWaalsContact C-N 3.28Å; A895-N897 PolarHBondContact O-N 3.17Å; N897-A899 VanDerWaalsContact C-N 3.31Å; N897-A899 PolarHBondContact O-N 3.41Å; N897-Y900 PolarHBondContact O-N 2.59Å; N897-A901 PolarHBondContact O-N 3.16Å |
| 898 | I | 85 | Confident | 81.3 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -34 | 174.8 | -71.1 | -69.8 | 0 | 0 | 0 | 111.3 | K407 T412 D864 L866 T894 A895 Y900 A901 C902 | K407-I898 HydrophobicContact CD-CB 4.29Å; K407-I898 HydrophobicContact CD-CG1 4.2Å; K407-I898 HydrophobicContact CD-CG2 4.14Å; K407-I898 HydrophobicContact CG-CB 4.26Å; K407-I898 HydrophobicContact CG-CG2 3.63Å; T412-I898 HydrophobicContact CG2-CD1 4.17Å; D864-I898 HydrophobicContact CB-CD1 4.3Å; D864-I898 WeakPolarHBondContact O-CD1 3.42Å; L866-I898 HydrophobicContact CD2-CD1 4.26Å; L866-I898 HydrophobicContact CD2-CG2 4.1Å; T894-I898 WeakPolarHBondContact O-CG1 3.43Å; T894-I898 PolarHBondContact O-N 3.49Å; A895-I898 PolarHBondContact O-N 2.89Å; I898-Y900 VanDerWaalsContact C-N 3.33Å; I898-Y900 PolarHBondContact O-N 2.76Å; I898-A901 PolarHBondContact O-N 3.09Å; I898-C902 WeakPolarHBondContact O-CB 3.33Å; I898-C902 PolarHBondContact O-N 3.07Å; I898-C902 PolarHBondContact O-SG 3.44Å |
| 899 | A | 89.2 | Confident | 80.7 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A895 V896 N897 L904 F905 L998 | A895-A899 WeakPolarHBondContact O-CB 3.41Å; A895-A899 PolarHBondContact O-N 3.31Å; V896-A899 WeakPolarHBondContact O-CB 3.24Å; V896-A899 PolarHBondContact O-N 2.99Å; N897-A899 VanDerWaalsContact C-N 3.31Å; N897-A899 PolarHBondContact O-N 3.41Å; A899-L904 HydrophobicContact CB-CB 4.13Å; A899-L904 HydrophobicContact CB-CD2 3.95Å; A899-L904 HydrophobicContact CB-CG 4.33Å; A899-L904 WeakPolarHBondContact O-CA 3.41Å; A899-L904 WeakPolarHBondContact O-CB 3.22Å; A899-L904 PolarHBondContact O-N 3.16Å; A899-F905 HydrophobicContact CB-CD2 3.44Å; A899-F905 VanDerWaalsContact CB-CD2 3.44Å; A899-F905 HydrophobicContact CB-CE2 3.65Å; A899-F905 HydrophobicContact CB-CG 4.14Å; A899-F905 HydrophobicContact CB-CZ 4.49Å; A899-F905 PolarHBondContact O-N 3.29Å; A899-L998 HydrophobicContact CB-CD2 4.33Å |
| 900 | Y | 84.9 | Confident | 80.8 | Confident | 78 Ų | 78 | 49.7 Ų | 49.7 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.4 | -48.1 | 168.2 | -77.1 | -63.2 | 0 | 0 | 0 | 111.9 | V896 N897 I898 C902 N903 F905 N906 L911 | V896-Y900 HydrophobicContact CG1-CD2 3.93Å; V896-Y900 HydrophobicContact CG1-CE2 3.61Å; V896-Y900 WeakPolarHBondContact O-CD2 3.46Å; V896-Y900 PolarHBondContact O-N 3.46Å; N897-Y900 PolarHBondContact O-N 2.59Å; I898-Y900 VanDerWaalsContact C-N 3.33Å; I898-Y900 PolarHBondContact O-N 2.76Å; Y900-C902 PolarHBondContact O-N 2.99Å; Y900-N903 PolarHBondContact O-N 3.04Å; Y900-F905 HydrophobicContact CD1-CB 3.83Å; Y900-F905 WeakPolarHBondContact CD1-O 3.39Å; Y900-F905 HydrophobicContact CE1-CB 3.74Å; Y900-F905 HydrophobicContact CG-CB 4.46Å; Y900-N906 WeakPolarHBondContact CE1-O 3.43Å; Y900-L911 HydrophobicContact CE2-CD1 4.09Å; Y900-L911 VanDerWaalsContact OH-CD1 3.27Å; Y900-L911 WeakPolarHBondContact OH-CD1 3.45Å |
| 901 | A | 84.1 | Confident | 81.3 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.7 | -31.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L866 N897 I898 | L866-A901 HydrophobicContact CD1-CB 4.05Å; L866-A901 WeakPolarHBondContact CD1-O 3.39Å; N897-A901 PolarHBondContact O-N 3.16Å; I898-A901 PolarHBondContact O-N 3.09Å |
| 902 | C | 89.2 | Confident | 82 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 9.8 | 178.8 | 78.2 | 0 | 0 | 0 | 0 | 114.6 | L866 V870 I874 I898 Y900 L904 | L866-C902 HydrophobicContact CD1-CB 3.96Å; L866-C902 HydrophobicContact CD2-CB 4.33Å; V870-C902 HydrophobicContact CG1-CB 3.8Å; I874-C902 WeakPolarHBondContact CB-O 3.12Å; I874-C902 HydrophobicContact CD1-CB 3.88Å; I874-C902 VanDerWaalsContact CG2-O 3.25Å; I874-C902 WeakPolarHBondContact CG2-O 3.47Å; I898-C902 WeakPolarHBondContact O-CB 3.33Å; I898-C902 PolarHBondContact O-N 3.07Å; I898-C902 PolarHBondContact O-SG 3.44Å; Y900-C902 PolarHBondContact O-N 2.99Å; C902-L904 PolarHBondContact O-N 2.75Å; C902-L904 VanDerWaalsContact SG-CB 3.58Å |
| 903 | N | 85.7 | Confident | 82.1 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.353 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 24.1 | -175.6 | -63 | -43.9 | 0 | 0 | 0 | 115 | R878 Y900 | R878-N903 PolarHBondContact NH1-O 3.47Å; Y900-N903 PolarHBondContact O-N 3.04Å |
| 904 | L | 89.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -70.6 | -39.4 | 169 | 176.2 | 62.7 | 0 | 0 | 0 | 110.9 | I874 R878 I884 V886 A899 C902 A996 | I874-L904 HydrophobicContact CG2-CB 4.46Å; R878-L904 PolarHBondContact NH1-O 3.49Å; R878-L904 PolarHBondContact NH2-O 3.24Å; I884-L904 HydrophobicContact CB-CD1 3.85Å; I884-L904 HydrophobicContact CG2-CD1 3.94Å; I884-L904 WeakPolarHBondContact O-CD1 3.5Å; V886-L904 HydrophobicContact CB-CD2 4.02Å; V886-L904 HydrophobicContact CG2-CD2 3.58Å; A899-L904 HydrophobicContact CB-CB 4.13Å; A899-L904 HydrophobicContact CB-CD2 3.95Å; A899-L904 HydrophobicContact CB-CG 4.33Å; A899-L904 WeakPolarHBondContact O-CA 3.41Å; A899-L904 WeakPolarHBondContact O-CB 3.22Å; A899-L904 PolarHBondContact O-N 3.16Å; C902-L904 PolarHBondContact O-N 2.75Å; C902-L904 VanDerWaalsContact SG-CB 3.58Å; L904-A996 HydrophobicContact CD1-CB 3.65Å; L904-A996 HydrophobicContact CG-CB 4.07Å; L904-A996 VanDerWaalsContact O-CB 3.23Å; L904-A996 WeakPolarHBondContact O-CB 3.45Å |
| 905 | F | 87.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -113 | 136.4 | 166.8 | -59.2 | -37.5 | 0 | 0 | 0 | 109.5 | A899 Y900 L911 V969 A996 L998 | A899-F905 HydrophobicContact CB-CD2 3.44Å; A899-F905 VanDerWaalsContact CB-CD2 3.44Å; A899-F905 HydrophobicContact CB-CE2 3.65Å; A899-F905 HydrophobicContact CB-CG 4.14Å; A899-F905 HydrophobicContact CB-CZ 4.49Å; A899-F905 PolarHBondContact O-N 3.29Å; Y900-F905 HydrophobicContact CD1-CB 3.83Å; Y900-F905 WeakPolarHBondContact CD1-O 3.39Å; Y900-F905 HydrophobicContact CE1-CB 3.74Å; Y900-F905 HydrophobicContact CG-CB 4.46Å; F905-L911 HydrophobicContact CB-CD2 4.35Å; F905-L911 HydrophobicContact CD1-CD2 3.92Å; F905-L911 HydrophobicContact CD2-CD1 4.23Å; F905-L911 HydrophobicContact CD2-CD2 3.77Å; F905-L911 HydrophobicContact CE1-CD2 4.09Å; F905-L911 HydrophobicContact CE2-CD1 4.45Å; F905-L911 HydrophobicContact CE2-CD2 3.94Å; F905-L911 HydrophobicContact CG-CD2 3.77Å; F905-L911 HydrophobicContact CZ-CD2 4.09Å; F905-V969 HydrophobicContact CE2-CG2 3.98Å; F905-V969 HydrophobicContact CZ-CG2 4.08Å; F905-A996 HydrophobicContact CD1-CB 3.78Å; F905-A996 HydrophobicContact CE1-CB 3.67Å; F905-L998 HydrophobicContact CE2-CB 4.06Å; F905-L998 HydrophobicContact CE2-CD2 4.03Å; F905-L998 HydrophobicContact CZ-CB 3.74Å |
| 906 | N | 79.8 | Confident | 82.3 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 25% | 0.25 | S | S | . | . | trans | -89.5 | 152 | 169 | -47 | -74.7 | 0 | 0 | 0 | 109.7 | R878 Y900 R908 D909 | R878-N906 PolarHBondContact NH1-ND2 3.4Å; Y900-N906 WeakPolarHBondContact CE1-O 3.43Å; N906-R908 PolarHBondContact O-N 3.1Å; N906-D909 WeakPolarHBondContact CB-OD1 3.41Å; N906-D909 PolarHBondContact N-OD2 2.88Å; N906-D909 PolarHBondContact ND2-OD1 3.28Å; N906-D909 PolarHBondContact ND2-OD2 3.34Å; N906-D909 WeakPolarHBondContact O-CB 3.45Å; N906-D909 PolarHBondContact O-N 3.11Å | ||
| 907 | P | 74.5 | Confident | 81.7 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 79% | 0.786 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 2.4 | 170.9 | -25.1 | 35.6 | 0 | 0 | 0 | 116 | ||
| 908 | R | 73.9 | Confident | 81.2 | Confident | 212 Ų | 212 | 60.1 Ų | 60.1 | 80% | 0.8 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 2.4 | 174.3 | -60.6 | -178.2 | -178.4 | 170.7 | 0.3 | 113.1 | N906 N965 | N906-R908 PolarHBondContact O-N 3.1Å; R908-N965 PolarHBondContact O-ND2 2.83Å |
| 909 | D | 76.4 | Confident | 80.4 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.064 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -87.7 | 125 | 179.8 | -60.8 | -4.8 | 0 | 0 | 0 | 109.5 | R878 N906 L911 N965 | R878-D909 IonicContact NH2-OD2 2.74Å; R878-D909 PolarHBondContact NH2-OD2 3.04Å; N906-D909 WeakPolarHBondContact CB-OD1 3.41Å; N906-D909 PolarHBondContact N-OD2 2.88Å; N906-D909 PolarHBondContact ND2-OD1 3.28Å; N906-D909 PolarHBondContact ND2-OD2 3.34Å; N906-D909 WeakPolarHBondContact O-CB 3.45Å; N906-D909 PolarHBondContact O-N 3.11Å; D909-L911 PolarHBondContact O-N 2.93Å; D909-N965 CarbonylContact C-O 3.55Å; D909-N965 WeakPolarHBondContact CA-O 3.41Å |
| 910 | E | 80.5 | Confident | 79.2 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 115.7 | 171.6 | -174.8 | 172.1 | -172.9 | 0 | 0 | 108.6 | R931 N965 F966 G967 | E910-R931 IonicContact OE1-CZ 3.16Å; E910-R931 IonicContact OE1-NH1 3.97Å; E910-R931 PolarHBondContact OE1-NH1 3.28Å; E910-R931 IonicContact OE2-NH1 2.77Å; E910-N965 PolarHBondContact N-O 2.9Å; E910-F966 HydrophobicContact CB-CD1 4Å; E910-F966 HydrophobicContact CB-CE1 3.95Å; E910-F966 HydrophobicContact CG-CD1 4.45Å; E910-F966 HydrophobicContact CG-CE1 4.18Å; E910-F966 WeakPolarHBondContact O-CA 3.21Å; E910-F966 WeakPolarHBondContact OE2-CE1 3.23Å; E910-G967 PolarHBondContact O-N 3.2Å; E910-G967 VanDerWaalsContact O-N 3.13Å |
| 911 | L | 84.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.6 | -178.6 | -66 | -170.4 | 0 | 0 | 0 | 111.4 | V896 Y900 F905 D909 Y913 G967 V969 | V896-L911 HydrophobicContact CG1-CD1 3.88Å; Y900-L911 HydrophobicContact CE2-CD1 4.09Å; Y900-L911 VanDerWaalsContact OH-CD1 3.27Å; Y900-L911 WeakPolarHBondContact OH-CD1 3.45Å; F905-L911 HydrophobicContact CB-CD2 4.35Å; F905-L911 HydrophobicContact CD1-CD2 3.92Å; F905-L911 HydrophobicContact CD2-CD1 4.23Å; F905-L911 HydrophobicContact CD2-CD2 3.77Å; F905-L911 HydrophobicContact CE1-CD2 4.09Å; F905-L911 HydrophobicContact CE2-CD1 4.45Å; F905-L911 HydrophobicContact CE2-CD2 3.94Å; F905-L911 HydrophobicContact CG-CD2 3.77Å; F905-L911 HydrophobicContact CZ-CD2 4.09Å; D909-L911 PolarHBondContact O-N 2.93Å; L911-Y913 HydrophobicContact CB-CD2 4.33Å; L911-Y913 HydrophobicContact CB-CE2 3.61Å; L911-Y913 HydrophobicContact CD1-CE2 4.46Å; L911-Y913 WeakPolarHBondContact O-CD2 3.43Å; L911-G967 CarbonylContact C-O 3.51Å; L911-G967 WeakPolarHBondContact CA-O 3.48Å; L911-V969 HydrophobicContact CD1-CG2 4.45Å |
| 912 | L | 84.6 | Confident | 77.4 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.9 | 173.9 | -58.6 | 177.3 | 0 | 0 | 0 | 109.2 | I928 F966 G967 L968 V969 L990 | L912-I928 HydrophobicContact CD1-CG2 4.43Å; L912-F966 HydrophobicContact CD1-CD1 4.02Å; L912-F966 HydrophobicContact CG-CD1 4.2Å; L912-G967 PolarHBondContact N-O 3.41Å; L912-L968 HydrophobicContact CB-CD1 4.15Å; L912-V969 PolarHBondContact O-N 2.95Å; L912-L990 HydrophobicContact CD1-CD1 3.68Å |
| 913 | Y | 84.4 | Confident | 76.2 | Confident | 118 Ų | 118 | 65.3 Ų | 65.3 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.4 | -178.3 | -71.3 | -96.4 | 0 | 0 | 0 | 111.7 | V896 L911 N922 V969 | V896-Y913 HydrophobicContact CG2-CE1 4.42Å; L911-Y913 HydrophobicContact CB-CD2 4.33Å; L911-Y913 HydrophobicContact CB-CE2 3.61Å; L911-Y913 HydrophobicContact CD1-CE2 4.46Å; L911-Y913 WeakPolarHBondContact O-CD2 3.43Å; Y913-N922 PolarHBondContact O-ND2 3.01Å; Y913-V969 CarbonylContact C-O 3.56Å; Y913-V969 WeakPolarHBondContact CA-O 3.33Å; Y913-V969 HydrophobicContact CD1-CB 3.73Å; Y913-V969 HydrophobicContact CD1-CG1 3.89Å; Y913-V969 HydrophobicContact CD1-CG2 4.32Å; Y913-V969 HydrophobicContact CE1-CB 3.82Å; Y913-V969 HydrophobicContact CE1-CG1 3.84Å; Y913-V969 HydrophobicContact CE1-CG2 3.96Å; Y913-V969 HydrophobicContact CG-CB 4.36Å |
| 914 | I | 83 | Confident | 75.2 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 105.4 | 171.3 | -63.5 | -175.4 | 0 | 0 | 0 | 108.8 | W919 L923 L968 V969 I970 D971 T974 F987 L990 | I914-W919 HydrophobicContact CG2-CB 3.57Å; I914-L923 HydrophobicContact CD1-CD2 4.07Å; I914-L923 HydrophobicContact CD1-CG 4.42Å; I914-L968 HydrophobicContact CD1-CD1 4.01Å; I914-L968 HydrophobicContact CG1-CD1 4.14Å; I914-V969 PolarHBondContact N-O 2.84Å; I914-I970 HydrophobicContact CB-CB 4.32Å; I914-I970 HydrophobicContact CB-CD1 4.16Å; I914-I970 HydrophobicContact CB-CG1 3.99Å; I914-I970 HydrophobicContact CD1-CD1 4.46Å; I914-I970 HydrophobicContact CG2-CD1 3.92Å; I914-I970 HydrophobicContact CG2-CG1 4.01Å; I914-D971 PolarHBondContact O-N 2.68Å; I914-T974 HydrophobicContact CG2-CG2 4.47Å; I914-F987 HydrophobicContact CD1-CD2 4.4Å; I914-F987 HydrophobicContact CD1-CE2 4.28Å; I914-L990 HydrophobicContact CD1-CD2 3.69Å |
| 915 | D | 78 | Confident | 73.7 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | trans | -112.3 | 167 | -177.3 | 97 | -36.9 | 0 | 0 | 0 | 112.6 | K917 N918 W919 T974 | D915-K917 PolarHBondContact O-N 3.35Å; D915-K917 VanDerWaalsContact O-N 3.12Å; D915-K917 PolarHBondContact OD1-N 3.25Å; D915-K917 VanDerWaalsContact OD1-N 3.13Å; D915-N918 PolarHBondContact O-N 2.79Å; D915-N918 PolarHBondContact OD1-N 3.34Å; D915-W919 WeakPolarHBondContact O-CB 3.46Å; D915-W919 PolarHBondContact O-N 3.31Å; D915-W919 VanDerWaalsContact O-N 3.1Å; D915-T974 WeakPolarHBondContact O-CG2 3.38Å | ||
| 916 | T | 70.9 | Confident | 72.2 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -11.5 | -176.8 | 39.8 | 0 | 0 | 0 | 0 | 114.9 | R973 T974 | T916-R973 HydrophobicContact CG2-CB 3.7Å; T916-T974 HydrophobicContact CG2-CG2 3.68Å |
| 917 | K | 71.7 | Confident | 71.3 | Confident | 174 Ų | 174 | 76.2 Ų | 76.2 | 76% | 0.757 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -45 | 179.8 | -60 | 177.9 | -179.6 | -179.7 | 0 | 111.8 | D915 | D915-K917 PolarHBondContact O-N 3.35Å; D915-K917 VanDerWaalsContact O-N 3.12Å; D915-K917 PolarHBondContact OD1-N 3.25Å; D915-K917 VanDerWaalsContact OD1-N 3.13Å |
| 918 | N | 67.9 | Low | 70.8 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 2 | -166.9 | -65.5 | -12.5 | 0 | 0 | 0 | 114.3 | D915 V920 L921 N922 | D915-N918 PolarHBondContact O-N 2.79Å; D915-N918 PolarHBondContact OD1-N 3.34Å; N918-V920 VanDerWaalsContact C-N 3.26Å; N918-V920 PolarHBondContact O-N 3.3Å; N918-V920 VanDerWaalsContact O-N 3.11Å; N918-L921 WeakPolarHBondContact O-CB 3.48Å; N918-L921 PolarHBondContact O-N 3.47Å; N918-N922 PolarHBondContact O-N 2.94Å; N918-N922 PolarHBondContact O-OD1 3.08Å |
| 919 | W | 68.5 | Low | 70.3 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 20% | 0.197 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51.7 | -37.7 | -175.7 | 73.3 | -80.2 | 0 | 0 | 0 | 115.1 | I914 D915 L923 T974 T981 L983 | I914-W919 HydrophobicContact CG2-CB 3.57Å; D915-W919 WeakPolarHBondContact O-CB 3.46Å; D915-W919 PolarHBondContact O-N 3.31Å; D915-W919 VanDerWaalsContact O-N 3.1Å; W919-L923 HydrophobicContact CE3-CD1 4.17Å; W919-L923 WeakPolarHBondContact O-CB 3.15Å; W919-L923 WeakPolarHBondContact O-CG 3.3Å; W919-L923 PolarHBondContact O-N 3.02Å; W919-T974 HydrophobicContact CB-CG2 4.13Å; W919-T974 HydrophobicContact CG-CG2 4.31Å; W919-T981 HydrophobicContact CH2-CG2 4.17Å; W919-L983 HydrophobicContact CZ3-CD1 3.99Å |
| 920 | V | 64.9 | Low | 69.8 | Low | 69 Ų | 69 | 65 Ų | 65 | 42% | 0.418 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -54.4 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | N918 N922 L923 T924 L983 | N918-V920 VanDerWaalsContact C-N 3.26Å; N918-V920 PolarHBondContact O-N 3.3Å; N918-V920 VanDerWaalsContact O-N 3.11Å; V920-N922 VanDerWaalsContact C-N 3.3Å; V920-N922 PolarHBondContact O-N 3.38Å; V920-L923 CarbonylContact O-C 3.52Å; V920-L923 PolarHBondContact O-N 2.9Å; V920-T924 HydrophobicContact CG1-CG2 4.07Å; V920-T924 WeakPolarHBondContact O-CG2 3.24Å; V920-T924 PolarHBondContact O-N 3.36Å; V920-T924 PolarHBondContact O-OG1 3.16Å; V920-L983 HydrophobicContact CG1-CD1 4.39Å |
| 921 | L | 65.5 | Low | 69 | Low | 95 Ų | 95 | 67.5 Ų | 67.5 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | -179.6 | -165.8 | 75.6 | 0 | 0 | 0 | 111.5 | N918 L923 T924 T925 | N918-L921 WeakPolarHBondContact O-CB 3.48Å; N918-L921 PolarHBondContact O-N 3.47Å; L921-L923 PolarHBondContact O-N 3.11Å; L921-T924 PolarHBondContact O-N 3.33Å; L921-T925 HydrophobicContact CD1-CG2 3.55Å; L921-T925 HydrophobicContact CG-CG2 3.71Å; L921-T925 VanDerWaalsContact O-CB 3.31Å; L921-T925 WeakPolarHBondContact O-CB 3.31Å; L921-T925 WeakPolarHBondContact O-CG2 3.39Å; L921-T925 PolarHBondContact O-N 2.88Å; L921-T925 PolarHBondContact O-OG1 3.09Å |
| 922 | N | 64.2 | Low | 68.1 | Low | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.6 | -17.8 | -179.7 | -65.1 | 9 | 0 | 0 | 0 | 113.1 | Y913 N918 V920 I928 | Y913-N922 PolarHBondContact O-ND2 3.01Å; N918-N922 PolarHBondContact O-N 2.94Å; N918-N922 PolarHBondContact O-OD1 3.08Å; V920-N922 VanDerWaalsContact C-N 3.3Å; V920-N922 PolarHBondContact O-N 3.38Å; N922-I928 HydrophobicContact CB-CD1 4.19Å |
| 923 | L | 65.5 | Low | 67.1 | Low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -105.9 | -12.8 | 176.3 | -68 | 177.7 | 0 | 0 | 0 | 113.9 | I914 W919 V920 L921 C978 L983 N986 F987 L990 | I914-L923 HydrophobicContact CD1-CD2 4.07Å; I914-L923 HydrophobicContact CD1-CG 4.42Å; W919-L923 HydrophobicContact CE3-CD1 4.17Å; W919-L923 WeakPolarHBondContact O-CB 3.15Å; W919-L923 WeakPolarHBondContact O-CG 3.3Å; W919-L923 PolarHBondContact O-N 3.02Å; V920-L923 CarbonylContact O-C 3.52Å; V920-L923 PolarHBondContact O-N 2.9Å; L921-L923 PolarHBondContact O-N 3.11Å; L923-C978 HydrophobicContact CD1-CB 4.4Å; L923-L983 HydrophobicContact CB-CD1 4.24Å; L923-L983 HydrophobicContact CD1-CB 4.49Å; L923-N986 PolarHBondContact O-ND2 3.02Å; L923-F987 HydrophobicContact CD1-CB 4.29Å; L923-F987 HydrophobicContact CD1-CD2 4.34Å; L923-F987 HydrophobicContact CD2-CB 4.35Å; L923-F987 HydrophobicContact CD2-CD2 4.28Å; L923-L990 HydrophobicContact CD2-CD2 3.93Å |
| 924 | T | 64.5 | Low | 66 | Low | 69 Ų | 69 | 64.9 Ų | 64.9 | 42% | 0.423 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -107.4 | -26.5 | 176.2 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | V920 L921 D926 L983 | V920-T924 HydrophobicContact CG1-CG2 4.07Å; V920-T924 WeakPolarHBondContact O-CG2 3.24Å; V920-T924 PolarHBondContact O-N 3.36Å; V920-T924 PolarHBondContact O-OG1 3.16Å; L921-T924 PolarHBondContact O-N 3.33Å; T924-D926 PolarHBondContact O-N 3.12Å; T924-L983 HydrophobicContact CG2-CD1 4.1Å; T924-L983 HydrophobicContact CG2-CD2 3.6Å |
| 925 | T | 56.9 | Low | 64.8 | Low | 45 Ų | 45 | 68 Ų | 68 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -73 | 129.1 | 176.3 | 53 | 0 | 0 | 0 | 0 | 110.7 | L921 N927 | L921-T925 HydrophobicContact CD1-CG2 3.55Å; L921-T925 HydrophobicContact CG-CG2 3.71Å; L921-T925 VanDerWaalsContact O-CB 3.31Å; L921-T925 WeakPolarHBondContact O-CB 3.31Å; L921-T925 WeakPolarHBondContact O-CG2 3.39Å; L921-T925 PolarHBondContact O-N 2.88Å; L921-T925 PolarHBondContact O-OG1 3.09Å; T925-N927 PolarHBondContact O-N 3.42Å |
| 926 | D | 56.6 | Low | 63.6 | Low | 115 Ų | 115 | 68.1 Ų | 68.1 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.3 | -20.3 | 176.7 | -72.8 | -62.5 | 0 | 0 | 0 | 112.4 | T924 I928 L929 S930 | T924-D926 PolarHBondContact O-N 3.12Å; D926-I928 VanDerWaalsContact C-N 3.27Å; D926-I928 PolarHBondContact O-N 3Å; D926-I928 VanDerWaalsContact O-N 3.1Å; D926-L929 PolarHBondContact O-N 3.39Å; D926-S930 WeakPolarHBondContact O-CA 3.14Å; D926-S930 WeakPolarHBondContact O-CB 3.43Å; D926-S930 PolarHBondContact O-N 2.94Å; D926-S930 PolarHBondContact O-OG 3.4Å |
| 927 | N | 60 | Low | 62.6 | Low | 125 Ų | 125 | 68.7 Ų | 68.7 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -52.5 | -37.7 | -179.2 | -76.5 | -12.2 | 0 | 0 | 0 | 114.7 | T925 R931 | T925-N927 PolarHBondContact O-N 3.42Å; N927-R931 WeakPolarHBondContact O-CB 3.5Å; N927-R931 WeakPolarHBondContact O-CD 3.47Å; N927-R931 VanDerWaalsContact O-CG 3.26Å; N927-R931 WeakPolarHBondContact O-CG 3.41Å |
| 928 | I | 64.2 | Low | 61.3 | Low | 36 Ų | 36 | 66.3 Ų | 66.3 | 19% | 0.185 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -85.7 | -46.7 | 176 | -61.3 | -177.9 | 0 | 0 | 0 | 110.7 | L912 N922 D926 R931 L932 L990 | L912-I928 HydrophobicContact CD1-CG2 4.43Å; N922-I928 HydrophobicContact CB-CD1 4.19Å; D926-I928 VanDerWaalsContact C-N 3.27Å; D926-I928 PolarHBondContact O-N 3Å; D926-I928 VanDerWaalsContact O-N 3.1Å; I928-R931 PolarHBondContact O-N 2.84Å; I928-L932 HydrophobicContact CG2-CD1 4.36Å; I928-L932 WeakPolarHBondContact O-CG 3.32Å; I928-L932 PolarHBondContact O-N 2.91Å; I928-L990 HydrophobicContact CG2-CD1 4.21Å |
| 929 | L | 63.9 | Low | 60.2 | Low | 22 Ų | 22 | 64.8 Ų | 64.8 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | -176.8 | -120 | 80.8 | 0 | 0 | 0 | 112.8 | D926 L932 N933 N986 | D926-L929 PolarHBondContact O-N 3.39Å; L929-L932 CarbonylContact O-C 3.34Å; L929-L932 PolarHBondContact O-N 2.87Å; L929-N933 WeakPolarHBondContact O-CB 3.37Å; L929-N933 PolarHBondContact O-N 3.43Å; L929-N933 PolarHBondContact O-ND2 2.95Å; L929-N933 PolarHBondContact O-OD1 3.08Å; L929-N986 HydrophobicContact CD1-CB 4.07Å; L929-N986 HydrophobicContact CD2-CB 4.31Å |
| 930 | S | 64.7 | Low | 59 | Low | 51 Ų | 51 | 66 Ų | 66 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.2 | -34.5 | 175.7 | 70 | 0 | 0 | 0 | 0 | 113.1 | D926 L932 N933 A934 | D926-S930 WeakPolarHBondContact O-CA 3.14Å; D926-S930 WeakPolarHBondContact O-CB 3.43Å; D926-S930 PolarHBondContact O-N 2.94Å; D926-S930 PolarHBondContact O-OG 3.4Å; S930-L932 VanDerWaalsContact C-N 3.32Å; S930-L932 PolarHBondContact O-N 3.35Å; S930-N933 CarbonylContact O-C 3.5Å; S930-N933 PolarHBondContact O-N 2.79Å; S930-A934 VanDerWaalsContact O-CB 3.32Å; S930-A934 WeakPolarHBondContact O-CB 3.38Å; S930-A934 PolarHBondContact O-N 3.17Å |
| 931 | R | 65.1 | Low | 57.9 | Low | 139 Ų | 139 | 67.5 Ų | 67.5 | 53% | 0.525 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 168.6 | -85.8 | 176.5 | 160.5 | -152.6 | -2.7 | 111.1 | E910 N927 I928 A934 L935 | E910-R931 IonicContact OE1-CZ 3.16Å; E910-R931 IonicContact OE1-NH1 3.97Å; E910-R931 PolarHBondContact OE1-NH1 3.28Å; E910-R931 IonicContact OE2-NH1 2.77Å; N927-R931 WeakPolarHBondContact O-CB 3.5Å; N927-R931 WeakPolarHBondContact O-CD 3.47Å; N927-R931 VanDerWaalsContact O-CG 3.26Å; N927-R931 WeakPolarHBondContact O-CG 3.41Å; I928-R931 PolarHBondContact O-N 2.84Å; R931-A934 PolarHBondContact O-N 2.9Å; R931-L935 WeakPolarHBondContact O-CD1 3.44Å; R931-L935 WeakPolarHBondContact O-CG 3.35Å; R931-L935 PolarHBondContact O-N 3.04Å |
| 932 | L | 64 | Low | 56.6 | Low | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 174.5 | -65.1 | 172.8 | 0 | 0 | 0 | 112.2 | I928 L929 S930 A934 L935 D936 L990 H993 | I928-L932 HydrophobicContact CG2-CD1 4.36Å; I928-L932 WeakPolarHBondContact O-CG 3.32Å; I928-L932 PolarHBondContact O-N 2.91Å; L929-L932 CarbonylContact O-C 3.34Å; L929-L932 PolarHBondContact O-N 2.87Å; S930-L932 VanDerWaalsContact C-N 3.32Å; S930-L932 PolarHBondContact O-N 3.35Å; L932-A934 VanDerWaalsContact C-N 3.34Å; L932-L935 HydrophobicContact CD2-CD1 4.49Å; L932-L935 PolarHBondContact O-N 3.02Å; L932-D936 PolarHBondContact O-N 3.17Å; L932-L990 HydrophobicContact CD1-CD1 3.76Å; L932-H993 HydrophobicContact CD2-CB 3.92Å |
| 933 | N | 63.6 | Low | 55.3 | Low | 59 Ų | 59 | 72.4 Ų | 72.4 | 32% | 0.316 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.5 | -31.3 | 174.9 | -62.1 | -23.6 | 0 | 0 | 0 | 112.2 | L929 S930 L935 D936 T937 K989 | L929-N933 WeakPolarHBondContact O-CB 3.37Å; L929-N933 PolarHBondContact O-N 3.43Å; L929-N933 PolarHBondContact O-ND2 2.95Å; L929-N933 PolarHBondContact O-OD1 3.08Å; S930-N933 CarbonylContact O-C 3.5Å; S930-N933 PolarHBondContact O-N 2.79Å; N933-L935 VanDerWaalsContact C-N 3.31Å; N933-D936 CarbonylContact O-C 3.46Å; N933-D936 WeakPolarHBondContact O-CB 3.29Å; N933-D936 PolarHBondContact O-N 3.29Å; N933-T937 PolarHBondContact O-N 3.45Å; N933-T937 PolarHBondContact O-OG1 3.42Å; N933-K989 PolarHBondContact OD1-NZ 2.83Å |
| 934 | A | 62.1 | Low | 54.1 | Low | 52 Ų | 52 | 76.9 Ų | 76.9 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | S930 R931 L932 T937 D938 | S930-A934 VanDerWaalsContact O-CB 3.32Å; S930-A934 WeakPolarHBondContact O-CB 3.38Å; S930-A934 PolarHBondContact O-N 3.17Å; R931-A934 PolarHBondContact O-N 2.9Å; L932-A934 VanDerWaalsContact C-N 3.34Å; A934-T937 VanDerWaalsContact CA-OG1 3.28Å; A934-T937 WeakPolarHBondContact CA-OG1 3.34Å; A934-T937 PolarHBondContact O-N 2.83Å; A934-T937 VanDerWaalsContact O-N 3.16Å; A934-T937 PolarHBondContact O-OG1 3.49Å; A934-D938 PolarHBondContact O-N 2.75Å; A934-D938 VanDerWaalsContact O-N 3.11Å |
| 935 | L | 57.7 | Low | 52.9 | Low | 72 Ų | 72 | 77.4 Ų | 77.4 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.1 | -30.4 | 172.1 | -66.1 | 160.6 | 0 | 0 | 0 | 112.3 | R931 L932 N933 L964 F966 | R931-L935 WeakPolarHBondContact O-CD1 3.44Å; R931-L935 WeakPolarHBondContact O-CG 3.35Å; R931-L935 PolarHBondContact O-N 3.04Å; L932-L935 HydrophobicContact CD2-CD1 4.49Å; L932-L935 PolarHBondContact O-N 3.02Å; N933-L935 VanDerWaalsContact C-N 3.31Å; L935-L964 HydrophobicContact CB-CD2 4.5Å; L935-L964 HydrophobicContact CD1-CD2 3.85Å; L935-L964 HydrophobicContact CD2-CD2 4.35Å; L935-L964 HydrophobicContact CG-CD2 4.47Å; L935-F966 HydrophobicContact CD1-CE2 3.73Å; L935-F966 HydrophobicContact CD1-CZ 4.15Å |
| 936 | D | 53.2 | Low | 51.9 | Low | 61 Ų | 61 | 82.7 Ų | 82.7 | 33% | 0.326 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 165.4 | -87.3 | -32.7 | 0 | 0 | 0 | 112 | L932 N933 A939 T940 K989 H993 | L932-D936 PolarHBondContact O-N 3.17Å; N933-D936 CarbonylContact O-C 3.46Å; N933-D936 WeakPolarHBondContact O-CB 3.29Å; N933-D936 PolarHBondContact O-N 3.29Å; D936-A939 CarbonylContact O-C 3.47Å; D936-A939 VanDerWaalsContact O-CA 3.3Å; D936-A939 WeakPolarHBondContact O-CA 3.37Å; D936-A939 WeakPolarHBondContact O-CB 3.36Å; D936-A939 PolarHBondContact O-N 3.34Å; D936-T940 PolarHBondContact O-N 3.47Å; D936-K989 WeakPolarHBondContact OD2-CE 3.36Å; D936-K989 IonicContact OD2-NZ 2.63Å; D936-K989 PolarHBondContact OD2-NZ 3.3Å; D936-H993 IonicContact OD1-NE2 2.94Å |
| 937 | T | 49.1 | Very low | 50.9 | Low | 85 Ų | 85 | 86.6 Ų | 86.6 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.2 | -29.2 | 177.5 | 48 | 0 | 0 | 0 | 0 | 113.5 | N933 A934 A939 T940 | N933-T937 PolarHBondContact O-N 3.45Å; N933-T937 PolarHBondContact O-OG1 3.42Å; A934-T937 VanDerWaalsContact CA-OG1 3.28Å; A934-T937 WeakPolarHBondContact CA-OG1 3.34Å; A934-T937 PolarHBondContact O-N 2.83Å; A934-T937 VanDerWaalsContact O-N 3.16Å; A934-T937 PolarHBondContact O-OG1 3.49Å; T937-A939 PolarHBondContact O-N 2.95Å; T937-T940 PolarHBondContact O-N 2.88Å; T937-T940 PolarHBondContact O-OG1 3.07Å |
| 938 | D | 45.1 | Very low | 49.5 | Very low | 125 Ų | 125 | 86.2 Ų | 86.2 | 67% | 0.668 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -9.3 | 166 | -89.9 | -14.9 | 0 | 0 | 0 | 113.1 | A934 | A934-D938 PolarHBondContact O-N 2.75Å; A934-D938 VanDerWaalsContact O-N 3.11Å |
| 939 | A | 45.8 | Very low | 48.3 | Very low | 52 Ų | 52 | 88.3 Ų | 88.3 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -8.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D936 T937 L941 | D936-A939 CarbonylContact O-C 3.47Å; D936-A939 VanDerWaalsContact O-CA 3.3Å; D936-A939 WeakPolarHBondContact O-CA 3.37Å; D936-A939 WeakPolarHBondContact O-CB 3.36Å; D936-A939 PolarHBondContact O-N 3.34Å; T937-A939 PolarHBondContact O-N 2.95Å; A939-L941 PolarHBondContact O-N 3.17Å |
| 940 | T | 42.3 | Very low | 46.6 | Very low | 77 Ų | 77 | 95 Ų | 95 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -74 | 33.6 | 168.9 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | D936 T937 E942 A943 | D936-T940 PolarHBondContact O-N 3.47Å; T937-T940 PolarHBondContact O-N 2.88Å; T937-T940 PolarHBondContact O-OG1 3.07Å; T940-E942 PolarHBondContact O-N 3.32Å; T940-E942 VanDerWaalsContact O-N 3.09Å; T940-A943 WeakPolarHBondContact O-CB 3.37Å; T940-A943 PolarHBondContact O-N 3.16Å |
| 941 | L | 41.6 | Very low | 45.3 | Very low | 100 Ų | 100 | 99 Ų | 99 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -59.6 | -7.8 | 158.6 | -165.3 | 68.2 | 0 | 0 | 0 | 111.9 | A939 A943 C944 | A939-L941 PolarHBondContact O-N 3.17Å; L941-A943 PolarHBondContact O-N 3.4Å; L941-C944 HydrophobicContact CD1-CB 4.12Å; L941-C944 HydrophobicContact CG-CB 4.45Å; L941-C944 WeakPolarHBondContact O-CB 3.49Å; L941-C944 PolarHBondContact O-N 3.47Å |
| 942 | E | 38.4 | Very low | 43.8 | Very low | 142 Ų | 142 | 103.9 Ų | 103.9 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -45.2 | -35.7 | 159.2 | -63.4 | -174.5 | 134.1 | 0 | 0 | 112.4 | T940 C944 L945 | T940-E942 PolarHBondContact O-N 3.32Å; T940-E942 VanDerWaalsContact O-N 3.09Å; E942-C944 PolarHBondContact O-N 3.06Å; E942-C944 VanDerWaalsContact O-N 3.1Å; E942-L945 PolarHBondContact O-N 2.89Å |
| 943 | A | 38.1 | Very low | 42.2 | Very low | 90 Ų | 90 | 109.5 Ų | 109.5 | 74% | 0.744 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -60.9 | -18 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | T940 L941 | T940-A943 WeakPolarHBondContact O-CB 3.37Å; T940-A943 PolarHBondContact O-N 3.16Å; L941-A943 PolarHBondContact O-N 3.4Å |
| 944 | C | 39.8 | Very low | 41.5 | Very low | 96 Ų | 96 | 109.7 Ų | 109.7 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -101.6 | -7.2 | 175.4 | -69.7 | 0 | 0 | 0 | 0 | 113.7 | L941 E942 | L941-C944 HydrophobicContact CD1-CB 4.12Å; L941-C944 HydrophobicContact CG-CB 4.45Å; L941-C944 WeakPolarHBondContact O-CB 3.49Å; L941-C944 PolarHBondContact O-N 3.47Å; E942-C944 PolarHBondContact O-N 3.06Å; E942-C944 VanDerWaalsContact O-N 3.1Å |
| 945 | L | 39.2 | Very low | 40.4 | Very low | 80 Ų | 80 | 111.1 Ų | 111.1 | 42% | 0.419 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | -16.5 | -173.4 | -79.7 | 156.6 | 0 | 0 | 0 | 113.7 | E942 K947 M953 | E942-L945 PolarHBondContact O-N 2.89Å; L945-K947 PolarHBondContact O-N 3.25Å; L945-M953 HydrophobicContact CD1-CE 3.89Å; L945-M953 HydrophobicContact CD1-SD 3.51Å; L945-M953 VanDerWaalsContact CD1-SD 3.51Å; L945-M953 HydrophobicContact CD2-SD 4.11Å; L945-M953 HydrophobicContact CG-SD 4.48Å |
| 946 | D | 36.4 | Very low | 39.3 | Very low | 155 Ų | 155 | 115.2 Ų | 115.2 | 83% | 0.829 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 15.9 | -169.7 | -142.2 | 28.7 | 0 | 0 | 0 | 115.1 | ||
| 947 | K | 35 | Very low | 38.5 | Very low | 197 Ų | 197 | 117.3 Ų | 117.3 | 86% | 0.857 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.3 | -13.1 | -176.7 | -71.9 | -169.9 | 176.2 | 178.1 | 0 | 117.4 | L945 | L945-K947 PolarHBondContact O-N 3.25Š|
| 948 | T | 30.9 | Very low | 38.2 | Very low | 118 Ų | 118 | 116.5 Ų | 116.5 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | trans | -146.5 | 100.1 | 177 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | L950 | T948-L950 PolarHBondContact O-N 3.23Š| ||
| 949 | G | 37.5 | Very low | 38 | Very low | 80 Ų | 80 | 115.8 Ų | 115.8 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | trans | -79.6 | 112.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 950 | L | 30.1 | Very low | 37.7 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | trans | -154.7 | 150.8 | 155.5 | -143.5 | 74.6 | 0 | 0 | 0 | 113.1 | T948 R952 | T948-L950 PolarHBondContact O-N 3.23Å; L950-R952 PolarHBondContact O-N 3.3Å; L950-R952 VanDerWaalsContact O-N 3.08Å | ||
| 951 | N | 36 | Very low | 37.8 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -70.6 | 98.5 | -177.9 | -70.9 | -82.4 | 0 | 0 | 0 | 112.8 | ||
| 952 | R | 34.5 | Very low | 38.2 | Very low | 243 Ų | 243 | 122.7 Ų | 122.7 | 92% | 0.917 | 63% | 0.634 | S | S | * | * | trans | -135.9 | -4.7 | 162.5 | -98.6 | -177.7 | 176.5 | 168.5 | 0.3 | 115.7 | L950 S954 | L950-R952 PolarHBondContact O-N 3.3Å; L950-R952 VanDerWaalsContact O-N 3.08Å; R952-S954 PolarHBondContact O-N 3.01Å; R952-S954 VanDerWaalsContact O-N 3.1Å | ||
| 953 | M | 29.8 | Very low | 38.7 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 59% | 0.586 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 81.5 | -167.5 | -164.6 | 162.1 | 74.6 | 0 | 0 | 113.2 | L945 M957 | L945-M953 HydrophobicContact CD1-CE 3.89Å; L945-M953 HydrophobicContact CD1-SD 3.51Å; L945-M953 VanDerWaalsContact CD1-SD 3.51Å; L945-M953 HydrophobicContact CD2-SD 4.11Å; L945-M953 HydrophobicContact CG-SD 4.48Å; M953-M957 HydrophobicContact CE-SD 4.13Å; M953-M957 HydrophobicContact CG-CG 4.02Å; M953-M957 HydrophobicContact CG-SD 3.44Å; M953-M957 WeakPolarHBondContact CG-SD 3.39Å; M953-M957 HydrophobicContact SD-SD 3.64Å; M953-M957 VanDerWaalsContact SD-SD 3.64Å |
| 954 | S | 48.7 | Very low | 39.4 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 44% | 0.441 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -151.7 | -19.9 | 167.9 | -171.8 | 0 | 0 | 0 | 0 | 115.7 | R952 L958 | R952-S954 PolarHBondContact O-N 3.01Å; R952-S954 VanDerWaalsContact O-N 3.1Å; S954-L958 WeakPolarHBondContact O-CD1 3.31Å |
| 955 | E | 39.5 | Very low | 40.7 | Very low | 83 Ų | 83 | 120.1 Ų | 120.1 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -97.9 | -43.3 | -175.6 | -161.3 | -177.1 | -98.4 | 0 | 0 | 112.8 | L958 K959 Q1298 | E955-L958 WeakPolarHBondContact O-CB 3.24Å; E955-L958 PolarHBondContact O-N 3.47Å; E955-K959 WeakPolarHBondContact O-CG 3.31Å; E955-K959 PolarHBondContact O-N 2.74Å; E955-K959 IonicContact OE2-NZ 3.95Å; E955-K959 PolarHBondContact OE2-NZ 3.23Å; E955-K959 VanDerWaalsContact OE2-NZ 3.13Å; E955-Q1298 PolarHBondContact OE1-NE2 2.77Å |
| 956 | E | 34.4 | Very low | 42.5 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73 | -35.3 | 178.4 | -71.1 | -175.8 | 120.9 | 0 | 0 | 113.4 | L958 K959 K960 | E956-L958 VanDerWaalsContact C-N 3.28Å; E956-L958 PolarHBondContact O-N 3.34Å; E956-K959 PolarHBondContact O-N 2.94Å; E956-K960 PolarHBondContact O-N 2.71Å |
| 957 | M | 37.2 | Very low | 44.9 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 52% | 0.522 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 169.6 | -75.6 | -171.8 | 80.1 | 0 | 0 | 112 | M953 K961 | M953-M957 HydrophobicContact CE-SD 4.13Å; M953-M957 HydrophobicContact CG-CG 4.02Å; M953-M957 HydrophobicContact CG-SD 3.44Å; M953-M957 WeakPolarHBondContact CG-SD 3.39Å; M953-M957 HydrophobicContact SD-SD 3.64Å; M953-M957 VanDerWaalsContact SD-SD 3.64Å; M957-K961 WeakPolarHBondContact O-CB 3.42Å; M957-K961 PolarHBondContact O-N 3.21Å |
| 958 | L | 42.2 | Very low | 47.5 | Very low | 68 Ų | 68 | 100.8 Ų | 100.8 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 172 | -121.1 | 89.7 | 0 | 0 | 0 | 110.4 | S954 E955 E956 K960 K961 F962 V1154 | S954-L958 WeakPolarHBondContact O-CD1 3.31Å; E955-L958 WeakPolarHBondContact O-CB 3.24Å; E955-L958 PolarHBondContact O-N 3.47Å; E956-L958 VanDerWaalsContact C-N 3.28Å; E956-L958 PolarHBondContact O-N 3.34Å; L958-K960 PolarHBondContact O-N 3.5Å; L958-K961 PolarHBondContact O-N 3.18Å; L958-K961 VanDerWaalsContact O-N 3.16Å; L958-F962 HydrophobicContact CD2-CE2 3.95Å; L958-F962 HydrophobicContact CD2-CZ 4.39Å; L958-F962 HydrophobicContact CG-CE2 4.12Å; L958-F962 WeakPolarHBondContact O-CD2 3.24Å; L958-F962 PolarHBondContact O-N 2.72Å; L958-F962 VanDerWaalsContact O-N 3.15Å; L958-V1154 HydrophobicContact CD2-CG1 4.01Å; L958-V1154 HydrophobicContact CD2-CG2 4.16Å |
| 959 | K | 39.9 | Very low | 50.4 | Low | 110 Ų | 110 | 95.2 Ų | 95.2 | 48% | 0.478 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.1 | -48.7 | 176.5 | -72.4 | 171 | -177.5 | 162.3 | 0 | 111.6 | E955 E956 K961 F962 Y963 | E955-K959 WeakPolarHBondContact O-CG 3.31Å; E955-K959 PolarHBondContact O-N 2.74Å; E955-K959 IonicContact OE2-NZ 3.95Å; E955-K959 PolarHBondContact OE2-NZ 3.23Å; E955-K959 VanDerWaalsContact OE2-NZ 3.13Å; E956-K959 PolarHBondContact O-N 2.94Å; K959-K961 VanDerWaalsContact C-N 3.34Å; K959-K961 PolarHBondContact O-N 3.2Å; K959-F962 PolarHBondContact O-N 3.05Å; K959-Y963 WeakPolarHBondContact O-CD2 3.3Å |
| 960 | K | 40.1 | Very low | 52.9 | Low | 144 Ų | 144 | 91.6 Ų | 91.6 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.1 | -43.7 | 175.6 | -82.5 | -164.6 | 170.9 | -166.6 | 0 | 112.3 | E956 L958 F962 Y963 | E956-K960 PolarHBondContact O-N 2.71Å; L958-K960 PolarHBondContact O-N 3.5Å; K960-F962 PolarHBondContact O-N 3.01Å; K960-Y963 PolarHBondContact O-N 2.99Å |
| 961 | K | 45.3 | Very low | 55.6 | Low | 140 Ų | 140 | 84.4 Ų | 84.4 | 61% | 0.609 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.7 | -12.1 | -178.2 | -151.5 | 165.2 | -168.5 | 167.7 | 0 | 114.4 | M957 L958 K959 | M957-K961 WeakPolarHBondContact O-CB 3.42Å; M957-K961 PolarHBondContact O-N 3.21Å; L958-K961 PolarHBondContact O-N 3.18Å; L958-K961 VanDerWaalsContact O-N 3.16Å; K959-K961 VanDerWaalsContact C-N 3.34Å; K959-K961 PolarHBondContact O-N 3.2Å |
| 962 | F | 48.7 | Very low | 57.8 | Low | 89 Ų | 89 | 78.1 Ų | 78.1 | 39% | 0.39 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.3 | 177.5 | -89.7 | -124.2 | 0 | 0 | 0 | 114.5 | L958 K959 K960 | L958-F962 HydrophobicContact CD2-CE2 3.95Å; L958-F962 HydrophobicContact CD2-CZ 4.39Å; L958-F962 HydrophobicContact CG-CE2 4.12Å; L958-F962 WeakPolarHBondContact O-CD2 3.24Å; L958-F962 PolarHBondContact O-N 2.72Å; L958-F962 VanDerWaalsContact O-N 3.15Å; K959-F962 PolarHBondContact O-N 3.05Å; K960-F962 PolarHBondContact O-N 3.01Å |
| 963 | Y | 48.6 | Very low | 60.1 | Low | 180 Ų | 180 | 74.6 Ų | 74.6 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | trans | -105.2 | 21.1 | 178.7 | -64.7 | -67.6 | 0 | 0 | 0 | 113.8 | K959 K960 N965 | K959-Y963 WeakPolarHBondContact O-CD2 3.3Å; K960-Y963 PolarHBondContact O-N 2.99Å; Y963-N965 VanDerWaalsContact C-N 3.27Å; Y963-N965 PolarHBondContact O-N 3.36Å; Y963-N965 PolarHBondContact O-OD1 3.4Å | ||
| 964 | L | 54.2 | Low | 62.7 | Low | 32 Ų | 32 | 69.2 Ų | 69.2 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | trans | -74.5 | 87.9 | 163.2 | -75.5 | 174.3 | 0 | 0 | 0 | 108.8 | L935 F966 H993 | L935-L964 HydrophobicContact CB-CD2 4.5Å; L935-L964 HydrophobicContact CD1-CD2 3.85Å; L935-L964 HydrophobicContact CD2-CD2 4.35Å; L935-L964 HydrophobicContact CG-CD2 4.47Å; L964-F966 HydrophobicContact CB-CD2 4.21Å; L964-F966 HydrophobicContact CD2-CD2 4.1Å; L964-F966 HydrophobicContact CD2-CE2 3.99Å; L964-F966 PolarHBondContact O-N 3.14Å; L964-H993 HydrophobicContact CD1-CB 4.45Å | ||
| 965 | N | 66.5 | Low | 64.3 | Low | 62 Ų | 62 | 66.5 Ų | 66.5 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | trans | -67 | 57.8 | 175.9 | -78.4 | 21.4 | 0 | 0 | 0 | 111.7 | R908 D909 E910 Y963 | R908-N965 PolarHBondContact O-ND2 2.83Å; D909-N965 CarbonylContact C-O 3.55Å; D909-N965 WeakPolarHBondContact CA-O 3.41Å; E910-N965 PolarHBondContact N-O 2.9Å; Y963-N965 VanDerWaalsContact C-N 3.27Å; Y963-N965 PolarHBondContact O-N 3.36Å; Y963-N965 PolarHBondContact O-OD1 3.4Å | ||
| 966 | F | 77.1 | Confident | 66.3 | Low | 25 Ų | 25 | 64.5 Ų | 64.5 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.5 | 180 | -70.6 | -74.2 | 0 | 0 | 0 | 111.7 | E910 L912 L935 L964 | E910-F966 HydrophobicContact CB-CD1 4Å; E910-F966 HydrophobicContact CB-CE1 3.95Å; E910-F966 HydrophobicContact CG-CD1 4.45Å; E910-F966 HydrophobicContact CG-CE1 4.18Å; E910-F966 WeakPolarHBondContact O-CA 3.21Å; E910-F966 WeakPolarHBondContact OE2-CE1 3.23Å; L912-F966 HydrophobicContact CD1-CD1 4.02Å; L912-F966 HydrophobicContact CG-CD1 4.2Å; L935-F966 HydrophobicContact CD1-CE2 3.73Å; L935-F966 HydrophobicContact CD1-CZ 4.15Å; L964-F966 HydrophobicContact CB-CD2 4.21Å; L964-F966 HydrophobicContact CD2-CD2 4.1Å; L964-F966 HydrophobicContact CD2-CE2 3.99Å; L964-F966 PolarHBondContact O-N 3.14Å |
| 967 | G | 86.4 | Confident | 68.5 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E910 L911 L912 | E910-G967 PolarHBondContact O-N 3.2Å; E910-G967 VanDerWaalsContact O-N 3.13Å; L911-G967 CarbonylContact C-O 3.51Å; L911-G967 WeakPolarHBondContact CA-O 3.48Å; L912-G967 PolarHBondContact N-O 3.41Å |
| 968 | L | 90.4 | Very high | 70.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.4 | 176.9 | 179.6 | 63.2 | 0 | 0 | 0 | 110.8 | L912 I914 L990 I991 C994 A996 V997 L998 | L912-L968 HydrophobicContact CB-CD1 4.15Å; I914-L968 HydrophobicContact CD1-CD1 4.01Å; I914-L968 HydrophobicContact CG1-CD1 4.14Å; L968-L990 HydrophobicContact CD1-CD2 4.1Å; L968-L990 HydrophobicContact CD2-CD2 4.48Å; L968-I991 HydrophobicContact CD2-CG1 3.7Å; L968-C994 HydrophobicContact CB-CB 3.96Å; L968-A996 PolarHBondContact N-O 2.9Å; L968-A996 VanDerWaalsContact N-O 3.09Å; L968-V997 HydrophobicContact CB-CG1 4.22Å; L968-V997 HydrophobicContact CB-CG2 4.21Å; L968-V997 HydrophobicContact CD2-CG1 4.11Å; L968-V997 HydrophobicContact CD2-CG2 4.44Å; L968-V997 HydrophobicContact CG-CG1 4.28Å; L968-V997 CarbonylContact O-C 3.59Å; L968-V997 WeakPolarHBondContact O-CA 3.36Å; L968-L998 PolarHBondContact O-N 3.5Å |
| 969 | V | 91 | Very high | 72.3 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.8 | 174 | -174 | 0 | 0 | 0 | 0 | 109.1 | V896 F905 L911 L912 Y913 I914 L998 T1000 | V896-V969 HydrophobicContact CG2-CB 4.49Å; V896-V969 HydrophobicContact CG2-CG1 3.89Å; V896-V969 HydrophobicContact CG2-CG2 3.76Å; F905-V969 HydrophobicContact CE2-CG2 3.98Å; F905-V969 HydrophobicContact CZ-CG2 4.08Å; L911-V969 HydrophobicContact CD1-CG2 4.45Å; L912-V969 PolarHBondContact O-N 2.95Å; Y913-V969 CarbonylContact C-O 3.56Å; Y913-V969 WeakPolarHBondContact CA-O 3.33Å; Y913-V969 HydrophobicContact CD1-CB 3.73Å; Y913-V969 HydrophobicContact CD1-CG1 3.89Å; Y913-V969 HydrophobicContact CD1-CG2 4.32Å; Y913-V969 HydrophobicContact CE1-CB 3.82Å; Y913-V969 HydrophobicContact CE1-CG1 3.84Å; Y913-V969 HydrophobicContact CE1-CG2 3.96Å; Y913-V969 HydrophobicContact CG-CB 4.36Å; I914-V969 PolarHBondContact N-O 2.84Å; V969-L998 WeakPolarHBondContact CA-O 2.99Å; V969-L998 HydrophobicContact CG1-CD2 4.32Å; V969-L998 HydrophobicContact CG2-CD2 4.46Å; V969-T1000 HydrophobicContact CG1-CG2 4.38Å |
| 970 | I | 90.8 | Very high | 74 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.9 | -176.5 | -172.7 | 163 | 0 | 0 | 0 | 112.1 | I914 T974 L975 F987 L998 C999 T1000 | I914-I970 HydrophobicContact CB-CB 4.32Å; I914-I970 HydrophobicContact CB-CD1 4.16Å; I914-I970 HydrophobicContact CB-CG1 3.99Å; I914-I970 HydrophobicContact CD1-CD1 4.46Å; I914-I970 HydrophobicContact CG2-CD1 3.92Å; I914-I970 HydrophobicContact CG2-CG1 4.01Å; I970-T974 WeakPolarHBondContact CD1-OG1 3.37Å; I970-T974 WeakPolarHBondContact CG1-OG1 3.29Å; I970-L975 HydrophobicContact CD1-CD1 4.28Å; I970-F987 HydrophobicContact CD1-CE2 3.65Å; I970-F987 HydrophobicContact CD1-CZ 3.69Å; I970-L998 PolarHBondContact N-O 3.12Å; I970-C999 HydrophobicContact CG2-CB 4.02Å; I970-C999 WeakPolarHBondContact O-CA 3.49Å; I970-T1000 PolarHBondContact O-N 3.08Å; I970-T1000 PolarHBondContact O-OG1 2.69Å; I970-T1000 VanDerWaalsContact O-OG1 3.06Å |
| 971 | D | 85.7 | Confident | 75.7 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.5 | 169.1 | -175.6 | -17.9 | 0 | 0 | 0 | 109.1 | I914 R973 T974 | I914-D971 PolarHBondContact O-N 2.68Å; D971-R973 PolarHBondContact O-N 2.85Å; D971-R973 VanDerWaalsContact OD1-CB 3.26Å; D971-R973 WeakPolarHBondContact OD1-CB 3.46Å; D971-R973 WeakPolarHBondContact OD1-CG 3.33Å; D971-R973 PolarHBondContact OD1-N 3.15Å; D971-T974 HydrophobicContact CB-CG2 4.39Å; D971-T974 WeakPolarHBondContact O-CB 3.39Å; D971-T974 PolarHBondContact O-N 3.27Å; D971-T974 PolarHBondContact O-OG1 2.97Å |
| 972 | G | 82.4 | Confident | 77 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -21.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T974 L975 P976 T1000 Q1006 | G972-T974 VanDerWaalsContact C-N 3.34Å; G972-L975 PolarHBondContact O-N 2.92Å; G972-P976 WeakPolarHBondContact O-CD 3.38Å; G972-T1000 PolarHBondContact N-O 3.45Å; G972-Q1006 VanDerWaalsContact O-CD 3.3Å; G972-Q1006 PolarHBondContact O-NE2 3.41Å; G972-Q1006 PolarHBondContact O-OE1 2.93Å |
| 973 | R | 83.3 | Confident | 78.3 | Confident | 170 Ų | 170 | 43.1 Ų | 43.1 | 64% | 0.642 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -29.3 | 171.1 | -61.8 | 171.3 | -177.1 | -151.5 | -1.6 | 113.5 | T916 D971 | T916-R973 HydrophobicContact CG2-CB 3.7Å; D971-R973 PolarHBondContact O-N 2.85Å; D971-R973 VanDerWaalsContact OD1-CB 3.26Å; D971-R973 WeakPolarHBondContact OD1-CB 3.46Å; D971-R973 WeakPolarHBondContact OD1-CG 3.33Å; D971-R973 PolarHBondContact OD1-N 3.15Å |
| 974 | T | 84.4 | Confident | 79.9 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -29.9 | 175.2 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | I914 D915 T916 W919 I970 D971 G972 P976 G977 C978 | I914-T974 HydrophobicContact CG2-CG2 4.47Å; D915-T974 WeakPolarHBondContact O-CG2 3.38Å; T916-T974 HydrophobicContact CG2-CG2 3.68Å; W919-T974 HydrophobicContact CB-CG2 4.13Å; W919-T974 HydrophobicContact CG-CG2 4.31Å; I970-T974 WeakPolarHBondContact CD1-OG1 3.37Å; I970-T974 WeakPolarHBondContact CG1-OG1 3.29Å; D971-T974 HydrophobicContact CB-CG2 4.39Å; D971-T974 WeakPolarHBondContact O-CB 3.39Å; D971-T974 PolarHBondContact O-N 3.27Å; D971-T974 PolarHBondContact O-OG1 2.97Å; G972-T974 VanDerWaalsContact C-N 3.34Å; T974-P976 VanDerWaalsContact C-CD 3.47Å; T974-G977 WeakPolarHBondContact O-CA 3.12Å; T974-G977 PolarHBondContact O-N 2.98Å; T974-C978 PolarHBondContact O-N 3.47Å; T974-C978 VanDerWaalsContact O-N 3.12Å |
| 975 | L | 82.9 | Confident | 81.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -51.5 | -43.3 | -169.5 | -169.7 | 93.1 | 0 | 0 | 0 | 114 | I970 G972 G977 C978 I979 F987 Q1006 V1010 | I970-L975 HydrophobicContact CD1-CD1 4.28Å; G972-L975 PolarHBondContact O-N 2.92Å; L975-G977 VanDerWaalsContact C-N 3.27Å; L975-G977 PolarHBondContact O-N 3.41Å; L975-C978 PolarHBondContact O-N 2.98Å; L975-I979 HydrophobicContact CD1-CD1 4.29Å; L975-I979 HydrophobicContact CD2-CD1 3.86Å; L975-I979 HydrophobicContact CG-CD1 3.7Å; L975-I979 HydrophobicContact CG-CG1 4.39Å; L975-I979 WeakPolarHBondContact O-CB 3.24Å; L975-I979 VanDerWaalsContact O-CG1 3.31Å; L975-I979 WeakPolarHBondContact O-CG1 3.26Å; L975-I979 PolarHBondContact O-N 3.47Å; L975-F987 HydrophobicContact CD1-CE1 4.37Å; L975-F987 HydrophobicContact CD1-CZ 4.05Å; L975-Q1006 HydrophobicContact CD2-CB 4.44Å; L975-V1010 HydrophobicContact CD1-CG2 3.99Å; L975-V1010 HydrophobicContact CD2-CG2 3.38Å; L975-V1010 HydrophobicContact CG-CG2 4.33Å |
| 976 | P | 81.8 | Confident | 81.7 | Confident | 41 Ų | 41 | 44 Ų | 44 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -31.2 | 176.5 | -21.5 | 34.6 | 0 | 0 | 0 | 113.3 | G972 T974 N980 | G972-P976 WeakPolarHBondContact O-CD 3.38Å; T974-P976 VanDerWaalsContact C-CD 3.47Å; P976-N980 VanDerWaalsContact O-CB 3.27Å; P976-N980 WeakPolarHBondContact O-CB 3.35Å; P976-N980 PolarHBondContact O-N 3.19Å; P976-N980 PolarHBondContact O-ND2 2.86Å; P976-N980 VanDerWaalsContact O-ND2 3.09Å |
| 977 | G | 79.2 | Confident | 82 | Confident | 22 Ų | 22 | 43 Ų | 43 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.5 | -46 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T974 L975 I979 T981 | T974-G977 WeakPolarHBondContact O-CA 3.12Å; T974-G977 PolarHBondContact O-N 2.98Å; L975-G977 VanDerWaalsContact C-N 3.27Å; L975-G977 PolarHBondContact O-N 3.41Å; G977-I979 VanDerWaalsContact C-N 3.26Å; G977-I979 PolarHBondContact O-N 3.47Å; G977-T981 WeakPolarHBondContact O-CB 3.33Å; G977-T981 WeakPolarHBondContact O-CG2 3.3Å; G977-T981 PolarHBondContact O-OG1 3.35Å |
| 978 | C | 79.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -30.2 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | L923 T974 L975 F987 | L923-C978 HydrophobicContact CD1-CB 4.4Å; T974-C978 PolarHBondContact O-N 3.47Å; T974-C978 VanDerWaalsContact O-N 3.12Å; L975-C978 PolarHBondContact O-N 2.98Å; C978-F987 HydrophobicContact CB-CD1 3.64Å; C978-F987 HydrophobicContact CB-CD2 4.02Å; C978-F987 HydrophobicContact CB-CE1 3.62Å; C978-F987 HydrophobicContact CB-CE2 4.01Å; C978-F987 HydrophobicContact CB-CG 3.84Å; C978-F987 HydrophobicContact CB-CZ 3.8Å |
| 979 | I | 80 | Confident | 81.1 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -87.4 | -39.4 | -177.3 | -67.5 | 175.5 | 0 | 0 | 0 | 113 | L975 G977 F987 M1009 L1013 | L975-I979 HydrophobicContact CD1-CD1 4.29Å; L975-I979 HydrophobicContact CD2-CD1 3.86Å; L975-I979 HydrophobicContact CG-CD1 3.7Å; L975-I979 HydrophobicContact CG-CG1 4.39Å; L975-I979 WeakPolarHBondContact O-CB 3.24Å; L975-I979 VanDerWaalsContact O-CG1 3.31Å; L975-I979 WeakPolarHBondContact O-CG1 3.26Å; L975-I979 PolarHBondContact O-N 3.47Å; G977-I979 VanDerWaalsContact C-N 3.26Å; G977-I979 PolarHBondContact O-N 3.47Å; I979-F987 HydrophobicContact CG1-CE1 4.18Å; I979-M1009 HydrophobicContact CD1-CG 3.83Å; I979-M1009 HydrophobicContact CD1-SD 3.82Å; I979-L1013 HydrophobicContact CD1-CB 4.42Å; I979-L1013 HydrophobicContact CD1-CD1 4.32Å; I979-L1013 HydrophobicContact CD1-CD2 3.94Å; I979-L1013 HydrophobicContact CD1-CG 4.46Å; I979-L1013 HydrophobicContact CG1-CD1 4.08Å; I979-L1013 HydrophobicContact CG1-CD2 4Å; I979-L1013 HydrophobicContact CG2-CD1 4.35Å |
| 980 | N | 75.6 | Confident | 80.7 | Confident | 124 Ų | 124 | 47.4 Ų | 47.4 | 66% | 0.663 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -95.6 | 9.1 | -170.8 | -62.9 | -39.4 | 0 | 0 | 0 | 114.5 | P976 | P976-N980 VanDerWaalsContact O-CB 3.27Å; P976-N980 WeakPolarHBondContact O-CB 3.35Å; P976-N980 PolarHBondContact O-N 3.19Å; P976-N980 PolarHBondContact O-ND2 2.86Å; P976-N980 VanDerWaalsContact O-ND2 3.09Å |
| 981 | T | 75.8 | Confident | 80.2 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 27% | 0.27 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -114.3 | 163.8 | -179.1 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | W919 G977 L983 L984 | W919-T981 HydrophobicContact CH2-CG2 4.17Å; G977-T981 WeakPolarHBondContact O-CB 3.33Å; G977-T981 WeakPolarHBondContact O-CG2 3.3Å; G977-T981 PolarHBondContact O-OG1 3.35Å; T981-L983 PolarHBondContact O-N 3.31Å; T981-L984 VanDerWaalsContact O-CB 3.31Å; T981-L984 WeakPolarHBondContact O-CB 3.46Å; T981-L984 PolarHBondContact O-N 3.02Å |
| 982 | P | 72 | Confident | 79.8 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 81% | 0.812 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.7 | 171.4 | 20.3 | -34.3 | 0 | 0 | 0 | 114.3 | L984 | P982-L984 PolarHBondContact O-N 3.41Å; P982-L984 VanDerWaalsContact O-N 3.16Å |
| 983 | L | 76.4 | Confident | 79.5 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -8 | 175.2 | -56.4 | 179.6 | 0 | 0 | 0 | 113.8 | W919 V920 L923 T924 T981 R985 N986 F987 | W919-L983 HydrophobicContact CZ3-CD1 3.99Å; V920-L983 HydrophobicContact CG1-CD1 4.39Å; L923-L983 HydrophobicContact CB-CD1 4.24Å; L923-L983 HydrophobicContact CD1-CB 4.49Å; T924-L983 HydrophobicContact CG2-CD1 4.1Å; T924-L983 HydrophobicContact CG2-CD2 3.6Å; T981-L983 PolarHBondContact O-N 3.31Å; L983-R985 PolarHBondContact O-N 3.09Å; L983-R985 VanDerWaalsContact O-N 3.11Å; L983-N986 PolarHBondContact O-N 3.09Å; L983-F987 PolarHBondContact O-N 3.41Å |
| 984 | L | 82.1 | Confident | 79.3 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -49.6 | -36 | 174.3 | 174.5 | 63.1 | 0 | 0 | 0 | 112.8 | T981 P982 L988 L1013 | T981-L984 VanDerWaalsContact O-CB 3.31Å; T981-L984 WeakPolarHBondContact O-CB 3.46Å; T981-L984 PolarHBondContact O-N 3.02Å; P982-L984 PolarHBondContact O-N 3.41Å; P982-L984 VanDerWaalsContact O-N 3.16Å; L984-L988 HydrophobicContact CD1-CD1 3.8Å; L984-L988 HydrophobicContact CD1-CG 3.92Å; L984-L988 HydrophobicContact CG-CD1 3.88Å; L984-L988 HydrophobicContact CG-CG 4.41Å; L984-L988 WeakPolarHBondContact O-CB 3.47Å; L984-L988 WeakPolarHBondContact O-CD1 3.49Å; L984-L988 WeakPolarHBondContact O-CG 3.37Å; L984-L988 PolarHBondContact O-N 3Å; L984-L1013 HydrophobicContact CD1-CD1 3.85Å |
| 985 | R | 79.4 | Confident | 79 | Confident | 212 Ų | 212 | 44.1 Ų | 44.1 | 80% | 0.8 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.9 | -46.9 | 174.8 | -95 | -174.5 | 171.1 | 178.4 | -2.4 | 112.4 | L983 L988 K989 | L983-R985 PolarHBondContact O-N 3.09Å; L983-R985 VanDerWaalsContact O-N 3.11Å; R985-L988 PolarHBondContact O-N 2.83Å; R985-K989 PolarHBondContact O-N 3.29Å |
| 986 | N | 79.8 | Confident | 79.3 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 179.9 | -65.6 | 13.8 | 0 | 0 | 0 | 110.5 | L923 L929 L983 K989 L990 | L923-N986 PolarHBondContact O-ND2 3.02Å; L929-N986 HydrophobicContact CD1-CB 4.07Å; L929-N986 HydrophobicContact CD2-CB 4.31Å; L983-N986 PolarHBondContact O-N 3.09Å; N986-K989 PolarHBondContact O-N 3.3Å; N986-L990 WeakPolarHBondContact O-CB 3.49Å; N986-L990 PolarHBondContact O-N 3.14Å |
| 987 | F | 82.6 | Confident | 79.8 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 175.7 | -173.5 | -130.3 | 0 | 0 | 0 | 112.2 | I914 L923 I970 L975 C978 I979 L983 L990 I991 L1013 | I914-F987 HydrophobicContact CD1-CD2 4.4Å; I914-F987 HydrophobicContact CD1-CE2 4.28Å; L923-F987 HydrophobicContact CD1-CB 4.29Å; L923-F987 HydrophobicContact CD1-CD2 4.34Å; L923-F987 HydrophobicContact CD2-CB 4.35Å; L923-F987 HydrophobicContact CD2-CD2 4.28Å; I970-F987 HydrophobicContact CD1-CE2 3.65Å; I970-F987 HydrophobicContact CD1-CZ 3.69Å; L975-F987 HydrophobicContact CD1-CE1 4.37Å; L975-F987 HydrophobicContact CD1-CZ 4.05Å; C978-F987 HydrophobicContact CB-CD1 3.64Å; C978-F987 HydrophobicContact CB-CD2 4.02Å; C978-F987 HydrophobicContact CB-CE1 3.62Å; C978-F987 HydrophobicContact CB-CE2 4.01Å; C978-F987 HydrophobicContact CB-CG 3.84Å; C978-F987 HydrophobicContact CB-CZ 3.8Å; I979-F987 HydrophobicContact CG1-CE1 4.18Å; L983-F987 PolarHBondContact O-N 3.41Å; F987-L990 PolarHBondContact O-N 2.9Å; F987-I991 HydrophobicContact CD1-CD1 3.82Å; F987-I991 HydrophobicContact CD2-CD1 3.8Å; F987-I991 HydrophobicContact CD2-CG1 4.3Å; F987-I991 HydrophobicContact CE1-CD1 3.59Å; F987-I991 HydrophobicContact CE2-CD1 3.55Å; F987-I991 HydrophobicContact CE2-CG1 4.16Å; F987-I991 HydrophobicContact CG-CD1 3.93Å; F987-I991 HydrophobicContact CZ-CD1 3.45Å; F987-I991 VanDerWaalsContact CZ-CD1 3.45Å; F987-I991 HydrophobicContact CZ-CG1 4.48Å; F987-I991 WeakPolarHBondContact O-CB 3.25Å; F987-I991 WeakPolarHBondContact O-CD1 3.47Å; F987-I991 VanDerWaalsContact O-CG1 3.26Å; F987-I991 WeakPolarHBondContact O-CG1 3.32Å; F987-I991 PolarHBondContact O-N 3.34Å; F987-L1013 HydrophobicContact CD1-CD2 4.49Å; F987-L1013 HydrophobicContact CE1-CD2 3.96Å |
| 988 | L | 81.4 | Confident | 80.4 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 174.4 | -71 | 167.4 | 0 | 0 | 0 | 112.2 | L984 R985 I991 S992 L1013 R1017 L1018 | L984-L988 HydrophobicContact CD1-CD1 3.8Å; L984-L988 HydrophobicContact CD1-CG 3.92Å; L984-L988 HydrophobicContact CG-CD1 3.88Å; L984-L988 HydrophobicContact CG-CG 4.41Å; L984-L988 WeakPolarHBondContact O-CB 3.47Å; L984-L988 WeakPolarHBondContact O-CD1 3.49Å; L984-L988 WeakPolarHBondContact O-CG 3.37Å; L984-L988 PolarHBondContact O-N 3Å; R985-L988 PolarHBondContact O-N 2.83Å; L988-I991 PolarHBondContact O-N 2.99Å; L988-S992 WeakPolarHBondContact O-CB 3.49Å; L988-S992 PolarHBondContact O-N 2.68Å; L988-S992 PolarHBondContact O-OG 2.86Å; L988-L1013 HydrophobicContact CD2-CD1 4.34Å; L988-L1013 HydrophobicContact CD2-CG 4.43Å; L988-R1017 HydrophobicContact CD1-CB 3.82Å; L988-R1017 HydrophobicContact CD1-CG 4.31Å; L988-R1017 HydrophobicContact CD2-CB 3.71Å; L988-R1017 HydrophobicContact CG-CB 4.45Å; L988-L1018 HydrophobicContact CD2-CD2 3.81Å; L988-L1018 HydrophobicContact CD2-CG 4.16Å |
| 989 | K | 77.2 | Confident | 81.1 | Confident | 63 Ų | 63 | 41.2 Ų | 41.2 | 27% | 0.274 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.6 | -173.8 | 170.8 | -175.5 | 179.1 | 0 | 111.5 | N933 D936 R985 N986 S992 H993 | N933-K989 PolarHBondContact OD1-NZ 2.83Å; D936-K989 WeakPolarHBondContact OD2-CE 3.36Å; D936-K989 IonicContact OD2-NZ 2.63Å; D936-K989 PolarHBondContact OD2-NZ 3.3Å; R985-K989 PolarHBondContact O-N 3.29Å; N986-K989 PolarHBondContact O-N 3.3Å; K989-S992 PolarHBondContact O-N 3Å; K989-S992 PolarHBondContact O-OG 3.35Å; K989-H993 PolarHBondContact O-ND1 2.76Å |
| 990 | L | 81.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.9 | -56.8 | 174 | 169.5 | 60.6 | 0 | 0 | 0 | 110.8 | L912 I914 L923 I928 L932 L968 N986 F987 S992 H993 | L912-L990 HydrophobicContact CD1-CD1 3.68Å; I914-L990 HydrophobicContact CD1-CD2 3.69Å; L923-L990 HydrophobicContact CD2-CD2 3.93Å; I928-L990 HydrophobicContact CG2-CD1 4.21Å; L932-L990 HydrophobicContact CD1-CD1 3.76Å; L968-L990 HydrophobicContact CD1-CD2 4.1Å; L968-L990 HydrophobicContact CD2-CD2 4.48Å; N986-L990 WeakPolarHBondContact O-CB 3.49Å; N986-L990 PolarHBondContact O-N 3.14Å; F987-L990 PolarHBondContact O-N 2.9Å; L990-S992 VanDerWaalsContact C-N 3.27Å; L990-S992 PolarHBondContact O-N 2.92Å; L990-H993 PolarHBondContact O-N 3.02Å |
| 991 | I | 82.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -35.6 | -176.8 | -68.7 | 163.1 | 0 | 0 | 0 | 112.3 | W885 L968 F987 L988 H993 C994 L1018 | W885-I991 HydrophobicContact CH2-CG2 3.37Å; W885-I991 HydrophobicContact CZ2-CG2 3.18Å; W885-I991 HydrophobicContact CZ3-CG2 4.49Å; L968-I991 HydrophobicContact CD2-CG1 3.7Å; F987-I991 HydrophobicContact CD1-CD1 3.82Å; F987-I991 HydrophobicContact CD2-CD1 3.8Å; F987-I991 HydrophobicContact CD2-CG1 4.3Å; F987-I991 HydrophobicContact CE1-CD1 3.59Å; F987-I991 HydrophobicContact CE2-CD1 3.55Å; F987-I991 HydrophobicContact CE2-CG1 4.16Å; F987-I991 HydrophobicContact CG-CD1 3.93Å; F987-I991 HydrophobicContact CZ-CD1 3.45Å; F987-I991 VanDerWaalsContact CZ-CD1 3.45Å; F987-I991 HydrophobicContact CZ-CG1 4.48Å; F987-I991 WeakPolarHBondContact O-CB 3.25Å; F987-I991 WeakPolarHBondContact O-CD1 3.47Å; F987-I991 VanDerWaalsContact O-CG1 3.26Å; F987-I991 WeakPolarHBondContact O-CG1 3.32Å; F987-I991 PolarHBondContact O-N 3.34Å; L988-I991 PolarHBondContact O-N 2.99Å; I991-H993 PolarHBondContact O-N 2.75Å; I991-C994 PolarHBondContact O-N 2.74Å; I991-L1018 HydrophobicContact CG2-CD1 4.35Å |
| 992 | S | 76.7 | Confident | 82.3 | Confident | 59 Ų | 59 | 36.7 Ų | 36.7 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.4 | 178.5 | 69.8 | 0 | 0 | 0 | 0 | 114.7 | L988 K989 L990 | L988-S992 WeakPolarHBondContact O-CB 3.49Å; L988-S992 PolarHBondContact O-N 2.68Å; L988-S992 PolarHBondContact O-OG 2.86Å; K989-S992 PolarHBondContact O-N 3Å; K989-S992 PolarHBondContact O-OG 3.35Å; L990-S992 VanDerWaalsContact C-N 3.27Å; L990-S992 PolarHBondContact O-N 2.92Å |
| 993 | H | 75.3 | Confident | 82.7 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -5.7 | 173.6 | -64.6 | 89.7 | 0 | 0 | 0 | 113.9 | L932 D936 L964 K989 L990 I991 P995 | L932-H993 HydrophobicContact CD2-CB 3.92Å; D936-H993 IonicContact OD1-NE2 2.94Å; L964-H993 HydrophobicContact CD1-CB 4.45Å; K989-H993 PolarHBondContact O-ND1 2.76Å; L990-H993 PolarHBondContact O-N 3.02Å; I991-H993 PolarHBondContact O-N 2.75Å; H993-P995 VanDerWaalsContact O-CD 3.25Å; H993-P995 WeakPolarHBondContact O-CD 3.46Å |
| 994 | C | 80.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | trans | -105.8 | 95 | 179.9 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | L968 I991 A996 V997 | L968-C994 HydrophobicContact CB-CB 3.96Å; I991-C994 PolarHBondContact O-N 2.74Å; C994-A996 PolarHBondContact O-N 2.9Å; C994-V997 HydrophobicContact CB-CG2 4.17Å | ||
| 995 | P | 77 | Confident | 82.7 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 27% | 0.266 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -68 | -18 | 179.9 | 28.6 | -35.8 | 0 | 0 | 0 | 113.2 | N883 I884 H993 | N883-P995 WeakPolarHBondContact CA-O 3.44Å; I884-P995 PolarHBondContact N-O 2.9Å; I884-P995 VanDerWaalsContact N-O 3.09Å; H993-P995 VanDerWaalsContact O-CD 3.25Å; H993-P995 WeakPolarHBondContact O-CD 3.46Å |
| 996 | A | 88.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I884 L904 F905 L968 C994 | I884-A996 WeakPolarHBondContact O-CA 3.45Å; L904-A996 HydrophobicContact CD1-CB 3.65Å; L904-A996 HydrophobicContact CG-CB 4.07Å; L904-A996 VanDerWaalsContact O-CB 3.23Å; L904-A996 WeakPolarHBondContact O-CB 3.45Å; F905-A996 HydrophobicContact CD1-CB 3.78Å; F905-A996 HydrophobicContact CE1-CB 3.67Å; L968-A996 PolarHBondContact N-O 2.9Å; L968-A996 VanDerWaalsContact N-O 3.09Å; C994-A996 PolarHBondContact O-N 2.9Å |
| 997 | V | 92.4 | Very high | 83.5 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.03 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 110 | I884 W885 V886 L968 C994 | I884-V997 PolarHBondContact O-N 3.19Å; W885-V997 CarbonylContact C-O 3.57Å; W885-V997 WeakPolarHBondContact CA-O 3.15Å; W885-V997 HydrophobicContact CB-CB 4.25Å; W885-V997 HydrophobicContact CD2-CB 3.79Å; W885-V997 HydrophobicContact CD2-CG1 4.33Å; W885-V997 HydrophobicContact CD2-CG2 3.92Å; W885-V997 HydrophobicContact CE3-CB 4.34Å; W885-V997 HydrophobicContact CE3-CG1 4.39Å; W885-V997 HydrophobicContact CG-CB 3.69Å; W885-V997 HydrophobicContact CG-CG2 4.08Å; W885-V997 HydrophobicContact CZ2-CG2 4.24Å; V886-V997 PolarHBondContact N-O 2.97Å; L968-V997 HydrophobicContact CB-CG1 4.22Å; L968-V997 HydrophobicContact CB-CG2 4.21Å; L968-V997 HydrophobicContact CD2-CG1 4.11Å; L968-V997 HydrophobicContact CD2-CG2 4.44Å; L968-V997 HydrophobicContact CG-CG1 4.28Å; L968-V997 CarbonylContact O-C 3.59Å; L968-V997 WeakPolarHBondContact O-CA 3.36Å; C994-V997 HydrophobicContact CB-CG2 4.17Å |
| 998 | L | 93.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 107.3 | 178.7 | -177.7 | 69.3 | 0 | 0 | 0 | 109.8 | V886 A895 V896 A899 F905 L968 V969 I970 T1000 | V886-L998 HydrophobicContact CB-CD1 3.75Å; V886-L998 HydrophobicContact CG1-CD1 3.74Å; V886-L998 CarbonylContact O-C 3.54Å; V886-L998 WeakPolarHBondContact O-CA 3.37Å; A895-L998 VanDerWaalsContact C-CD2 3.43Å; A895-L998 HydrophobicContact CB-CD1 4.16Å; A895-L998 HydrophobicContact CB-CD2 3.87Å; A895-L998 HydrophobicContact CB-CG 4.31Å; V896-L998 HydrophobicContact CB-CD2 4.26Å; V896-L998 HydrophobicContact CG2-CD2 3.62Å; A899-L998 HydrophobicContact CB-CD2 4.33Å; F905-L998 HydrophobicContact CE2-CB 4.06Å; F905-L998 HydrophobicContact CE2-CD2 4.03Å; F905-L998 HydrophobicContact CZ-CB 3.74Å; L968-L998 PolarHBondContact O-N 3.5Å; V969-L998 WeakPolarHBondContact CA-O 2.99Å; V969-L998 HydrophobicContact CG1-CD2 4.32Å; V969-L998 HydrophobicContact CG2-CD2 4.46Å; I970-L998 PolarHBondContact N-O 3.12Å; L998-T1000 HydrophobicContact CD2-CG2 4.01Å; L998-T1000 HydrophobicContact CG-CG2 3.81Å |
| 999 | C | 92.8 | Very high | 84.1 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125 | 170.5 | -166.5 | 0 | 0 | 0 | 0 | 109.2 | V886 L887 T888 I970 | V886-C999 PolarHBondContact O-N 2.63Å; L887-C999 WeakPolarHBondContact CA-O 3.35Å; L887-C999 HydrophobicContact CB-CB 4.42Å; L887-C999 HydrophobicContact CD2-CB 3.47Å; L887-C999 VanDerWaalsContact CD2-CB 3.47Å; T888-C999 PolarHBondContact N-O 3.08Å; I970-C999 HydrophobicContact CG2-CB 4.02Å; I970-C999 WeakPolarHBondContact O-CA 3.49Å |
| 1000 | T | 89.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 156.5 | -172.4 | 64 | 0 | 0 | 0 | 0 | 110.3 | T888 T892 A895 V969 I970 G972 L998 S1002 | T888-T1000 CarbonylContact O-C 3.46Å; T892-T1000 HydrophobicContact CG2-CG2 4.34Å; T892-T1000 WeakPolarHBondContact CG2-OG1 3.35Å; A895-T1000 HydrophobicContact CB-CG2 3.7Å; V969-T1000 HydrophobicContact CG1-CG2 4.38Å; I970-T1000 PolarHBondContact O-N 3.08Å; I970-T1000 PolarHBondContact O-OG1 2.69Å; I970-T1000 VanDerWaalsContact O-OG1 3.06Å; G972-T1000 PolarHBondContact N-O 3.45Å; L998-T1000 HydrophobicContact CD2-CG2 4.01Å; L998-T1000 HydrophobicContact CG-CG2 3.81Å; T1000-S1002 PolarHBondContact O-N 2.7Å |
| 1001 | R | 83.4 | Confident | 85.3 | Confident | 91 Ų | 91 | 23.5 Ų | 23.5 | 34% | 0.343 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 53.3 | 27.3 | -179 | -50.3 | 178.6 | -175.4 | -174.6 | 1.8 | 114.6 | T888 G889 D890 T892 | T888-R1001 PolarHBondContact O-N 2.88Å; G889-R1001 WeakPolarHBondContact O-CA 3.08Å; D890-R1001 PolarHBondContact O-N 2.87Å; D890-R1001 VanDerWaalsContact O-N 3.16Å; T892-R1001 PolarHBondContact OG1-NH2 2.74Å |
| 1002 | S | 83.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | trans | -85 | 139.8 | -173.1 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | T888 T1000 | T888-S1002 PolarHBondContact N-OG 3.03Å; T888-S1002 PolarHBondContact O-N 3.15Å; T888-S1002 PolarHBondContact O-OG 2.72Å; T1000-S1002 PolarHBondContact O-N 2.7Å | ||
| 1003 | T | 81.2 | Confident | 86.3 | Confident | 60 Ų | 60 | 25.3 Ų | 25.3 | 37% | 0.368 | 13% | 0.128 | S | C | . | . | trans | -88.9 | 162.5 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 112.3 | Q1005 Q1006 K1007 | T1003-Q1005 VanDerWaalsContact C-N 3.29Å; T1003-Q1005 PolarHBondContact O-N 3.25Å; T1003-Q1006 CarbonylContact O-C 3.44Å; T1003-Q1006 WeakPolarHBondContact O-CA 3.31Å; T1003-Q1006 WeakPolarHBondContact O-CB 3.23Å; T1003-Q1006 PolarHBondContact O-N 3.39Å; T1003-Q1006 WeakPolarHBondContact OG1-CG 3.31Å; T1003-Q1006 PolarHBondContact OG1-N 3.08Å; T1003-K1007 PolarHBondContact O-N 3.25Å | ||
| 1004 | P | 78 | Confident | 86.9 | Confident | 17 Ų | 17 | 24.5 Ų | 24.5 | 11% | 0.11 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -49.8 | -44.1 | 176.5 | -33.3 | 38.6 | 0 | 0 | 0 | 115 | Q1006 K1007 A1008 N1030 P1033 | P1004-Q1006 VanDerWaalsContact C-N 3.33Å; P1004-K1007 PolarHBondContact O-N 3.2Å; P1004-A1008 PolarHBondContact O-N 2.9Å; P1004-A1008 VanDerWaalsContact O-N 3.09Å; P1004-N1030 WeakPolarHBondContact CB-O 3.32Å; P1004-N1030 WeakPolarHBondContact CG-ND2 3.47Å; P1004-N1030 WeakPolarHBondContact CG-OD1 3.5Å; P1004-P1033 HydrophobicContact CB-CG 4.2Å |
| 1005 | Q | 80.8 | Confident | 87.3 | Confident | 74 Ų | 74 | 26.9 Ų | 26.9 | 35% | 0.346 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -72 | -30.2 | 179.4 | -61.1 | 79.8 | 9.4 | 0 | 0 | 111.4 | N270 T1003 M1009 | N270-Q1005 PolarHBondContact OD1-NE2 2.7Å; T1003-Q1005 VanDerWaalsContact C-N 3.29Å; T1003-Q1005 PolarHBondContact O-N 3.25Å; Q1005-M1009 WeakPolarHBondContact O-CB 3.3Å; Q1005-M1009 PolarHBondContact O-N 3.44Å |
| 1006 | Q | 86.3 | Confident | 87.7 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.5 | -42.6 | 171.3 | -70.1 | 170.9 | -16.6 | 0 | 0 | 111.5 | G972 L975 T1003 P1004 A1008 M1009 V1010 | G972-Q1006 VanDerWaalsContact O-CD 3.3Å; G972-Q1006 PolarHBondContact O-NE2 3.41Å; G972-Q1006 PolarHBondContact O-OE1 2.93Å; L975-Q1006 HydrophobicContact CD2-CB 4.44Å; T1003-Q1006 CarbonylContact O-C 3.44Å; T1003-Q1006 WeakPolarHBondContact O-CA 3.31Å; T1003-Q1006 WeakPolarHBondContact O-CB 3.23Å; T1003-Q1006 PolarHBondContact O-N 3.39Å; T1003-Q1006 WeakPolarHBondContact OG1-CG 3.31Å; T1003-Q1006 PolarHBondContact OG1-N 3.08Å; P1004-Q1006 VanDerWaalsContact C-N 3.33Å; Q1006-A1008 VanDerWaalsContact C-N 3.32Å; Q1006-A1008 PolarHBondContact O-N 2.96Å; Q1006-M1009 CarbonylContact O-C 3.28Å; Q1006-M1009 WeakPolarHBondContact O-CA 3.42Å; Q1006-M1009 WeakPolarHBondContact O-CB 3.1Å; Q1006-M1009 PolarHBondContact O-N 3.31Å; Q1006-V1010 WeakPolarHBondContact O-CG2 3.11Å; Q1006-V1010 PolarHBondContact O-N 3.37Å |
| 1007 | K | 88.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.5 | -49.2 | 172.9 | -68.6 | 177.1 | 172.9 | 176.9 | 0 | 111.3 | D406 L887 T1003 P1004 M1009 V1010 V1011 N1030 D1031 M1034 | D406-K1007 WeakPolarHBondContact OD1-CE 3.44Å; D406-K1007 IonicContact OD1-NZ 2.65Å; D406-K1007 PolarHBondContact OD1-NZ 3.13Å; L887-K1007 HydrophobicContact CB-CG 4.05Å; L887-K1007 HydrophobicContact CD1-CB 4.32Å; L887-K1007 WeakPolarHBondContact O-CE 3.49Å; T1003-K1007 PolarHBondContact O-N 3.25Å; P1004-K1007 PolarHBondContact O-N 3.2Å; K1007-M1009 PolarHBondContact O-N 2.91Å; K1007-V1010 PolarHBondContact O-N 2.87Å; K1007-V1011 PolarHBondContact O-N 2.92Å; K1007-N1030 PolarHBondContact NZ-OD1 3.05Å; K1007-D1031 VanDerWaalsContact CD-OD1 3.31Å; K1007-D1031 WeakPolarHBondContact CD-OD1 3.4Å; K1007-D1031 WeakPolarHBondContact CE-OD1 3.46Å; K1007-D1031 IonicContact NZ-OD1 2.68Å; K1007-D1031 PolarHBondContact NZ-OD1 3.16Å; K1007-M1034 HydrophobicContact CB-CB 4.07Å; K1007-M1034 HydrophobicContact CB-CG 4.13Å; K1007-M1034 HydrophobicContact CB-SD 3.98Å; K1007-M1034 HydrophobicContact CD-SD 4.37Å; K1007-M1034 HydrophobicContact CG-SD 4.41Å |
| 1008 | A | 88.3 | Confident | 87 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1004 Q1006 V1010 V1011 E1012 P1033 | P1004-A1008 PolarHBondContact O-N 2.9Å; P1004-A1008 VanDerWaalsContact O-N 3.09Å; Q1006-A1008 VanDerWaalsContact C-N 3.32Å; Q1006-A1008 PolarHBondContact O-N 2.96Å; A1008-V1010 VanDerWaalsContact C-N 3.35Å; A1008-V1010 PolarHBondContact O-N 3.14Å; A1008-V1011 PolarHBondContact O-N 2.83Å; A1008-E1012 PolarHBondContact O-N 3.35Å; A1008-P1033 HydrophobicContact CB-CB 3.85Å |
| 1009 | M | 89.2 | Confident | 86.4 | Confident | 68 Ų | 68 | 46.1 Ų | 46.1 | 34% | 0.335 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.6 | -173.7 | -175.3 | -67.5 | 0 | 0 | 112.6 | I979 Q1005 Q1006 K1007 E1012 L1013 | I979-M1009 HydrophobicContact CD1-CG 3.83Å; I979-M1009 HydrophobicContact CD1-SD 3.82Å; Q1005-M1009 WeakPolarHBondContact O-CB 3.3Å; Q1005-M1009 PolarHBondContact O-N 3.44Å; Q1006-M1009 CarbonylContact O-C 3.28Å; Q1006-M1009 WeakPolarHBondContact O-CA 3.42Å; Q1006-M1009 WeakPolarHBondContact O-CB 3.1Å; Q1006-M1009 PolarHBondContact O-N 3.31Å; K1007-M1009 PolarHBondContact O-N 2.91Å; M1009-E1012 PolarHBondContact O-N 2.86Å; M1009-L1013 WeakPolarHBondContact O-CB 3.48Å; M1009-L1013 PolarHBondContact O-N 3.38Å |
| 1010 | V | 91.1 | Very high | 86.1 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 111 | L404 W885 L887 L975 Q1006 K1007 A1008 E1012 L1013 V1014 | L404-V1010 HydrophobicContact CD2-CG1 3.74Å; W885-V1010 HydrophobicContact CE3-CG1 3.55Å; W885-V1010 HydrophobicContact CZ3-CG1 3.51Å; L887-V1010 HydrophobicContact CD1-CB 3.75Å; L887-V1010 HydrophobicContact CD1-CG1 3.89Å; L887-V1010 HydrophobicContact CD1-CG2 4.2Å; L887-V1010 HydrophobicContact CD2-CB 4.4Å; L887-V1010 HydrophobicContact CD2-CG1 3.9Å; L887-V1010 HydrophobicContact CD2-CG2 4.36Å; L975-V1010 HydrophobicContact CD1-CG2 3.99Å; L975-V1010 HydrophobicContact CD2-CG2 3.38Å; L975-V1010 HydrophobicContact CG-CG2 4.33Å; Q1006-V1010 WeakPolarHBondContact O-CG2 3.11Å; Q1006-V1010 PolarHBondContact O-N 3.37Å; K1007-V1010 PolarHBondContact O-N 2.87Å; A1008-V1010 VanDerWaalsContact C-N 3.35Å; A1008-V1010 PolarHBondContact O-N 3.14Å; V1010-E1012 VanDerWaalsContact C-N 3.31Å; V1010-E1012 PolarHBondContact O-N 2.94Å; V1010-L1013 WeakPolarHBondContact O-CB 3.38Å; V1010-L1013 PolarHBondContact O-N 2.89Å; V1010-V1014 PolarHBondContact O-N 2.91Å; V1010-V1014 VanDerWaalsContact O-N 3.08Å |
| 1011 | V | 92.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L404 K1007 A1008 L1013 V1014 K1015 M1034 A1038 | L404-V1011 HydrophobicContact CB-CG2 4.19Å; L404-V1011 HydrophobicContact CD1-CG2 4.23Å; L404-V1011 HydrophobicContact CD2-CG2 3.94Å; L404-V1011 HydrophobicContact CG-CG2 4.33Å; K1007-V1011 PolarHBondContact O-N 2.92Å; A1008-V1011 PolarHBondContact O-N 2.83Å; V1011-L1013 PolarHBondContact O-N 3.08Å; V1011-V1014 PolarHBondContact O-N 3.24Å; V1011-K1015 WeakPolarHBondContact O-CB 3.38Å; V1011-K1015 PolarHBondContact O-N 3.47Å; V1011-M1034 HydrophobicContact CG2-CG 3.44Å; V1011-M1034 VanDerWaalsContact CG2-CG 3.44Å; V1011-M1034 HydrophobicContact CG2-SD 4.47Å; V1011-A1038 VanDerWaalsContact CG1-CA 3.49Å; V1011-A1038 HydrophobicContact CG1-CB 3.88Å |
| 1012 | E | 89.8 | Confident | 86.6 | Confident | 89 Ų | 89 | 42.7 Ų | 42.7 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67 | -34.8 | 178.9 | -172.3 | 165.7 | -113.5 | 0 | 0 | 112.6 | A1008 M1009 V1010 K1016 | A1008-E1012 PolarHBondContact O-N 3.35Å; M1009-E1012 PolarHBondContact O-N 2.86Å; V1010-E1012 VanDerWaalsContact C-N 3.31Å; V1010-E1012 PolarHBondContact O-N 2.94Å; E1012-K1016 HydrophobicContact CG-CD 3.66Å; E1012-K1016 HydrophobicContact CG-CG 3.99Å; E1012-K1016 VanDerWaalsContact O-CB 3.27Å; E1012-K1016 WeakPolarHBondContact O-CB 3.27Å; E1012-K1016 PolarHBondContact O-N 2.99Å; E1012-K1016 WeakPolarHBondContact OE1-CE 3.36Å; E1012-K1016 IonicContact OE1-NZ 3.07Å; E1012-K1016 PolarHBondContact OE1-NZ 3.11Å; E1012-K1016 IonicContact OE2-NZ 2.69Å; E1012-K1016 PolarHBondContact OE2-NZ 3.04Å |
| 1013 | L | 89.2 | Confident | 87.2 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -54 | 172.8 | -179.1 | 74.1 | 0 | 0 | 0 | 111.1 | I979 L984 F987 L988 M1009 V1010 V1011 K1015 K1016 R1017 | I979-L1013 HydrophobicContact CD1-CB 4.42Å; I979-L1013 HydrophobicContact CD1-CD1 4.32Å; I979-L1013 HydrophobicContact CD1-CD2 3.94Å; I979-L1013 HydrophobicContact CD1-CG 4.46Å; I979-L1013 HydrophobicContact CG1-CD1 4.08Å; I979-L1013 HydrophobicContact CG1-CD2 4Å; I979-L1013 HydrophobicContact CG2-CD1 4.35Å; L984-L1013 HydrophobicContact CD1-CD1 3.85Å; F987-L1013 HydrophobicContact CD1-CD2 4.49Å; F987-L1013 HydrophobicContact CE1-CD2 3.96Å; L988-L1013 HydrophobicContact CD2-CD1 4.34Å; L988-L1013 HydrophobicContact CD2-CG 4.43Å; M1009-L1013 WeakPolarHBondContact O-CB 3.48Å; M1009-L1013 PolarHBondContact O-N 3.38Å; V1010-L1013 WeakPolarHBondContact O-CB 3.38Å; V1010-L1013 PolarHBondContact O-N 2.89Å; V1011-L1013 PolarHBondContact O-N 3.08Å; L1013-K1015 PolarHBondContact O-N 3.37Å; L1013-K1016 PolarHBondContact O-N 3.42Å; L1013-R1017 HydrophobicContact CD1-CB 4.39Å; L1013-R1017 HydrophobicContact CD1-CG 3.84Å; L1013-R1017 WeakPolarHBondContact O-CA 3.5Å; L1013-R1017 VanDerWaalsContact O-CB 3.24Å; L1013-R1017 WeakPolarHBondContact O-CB 3.33Å; L1013-R1017 PolarHBondContact O-N 3.2Å |
| 1014 | V | 89.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -56.6 | -52.8 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | H402 L404 W885 V1010 V1011 K1016 L1018 H1019 T1022 | H402-V1014 HydrophobicContact CB-CG1 3.96Å; L404-V1014 HydrophobicContact CD2-CG2 4.37Å; W885-V1014 HydrophobicContact CE3-CG2 4.03Å; W885-V1014 HydrophobicContact CH2-CG2 3.18Å; W885-V1014 HydrophobicContact CZ2-CG2 3.81Å; W885-V1014 HydrophobicContact CZ3-CG2 3.34Å; V1010-V1014 PolarHBondContact O-N 2.91Å; V1010-V1014 VanDerWaalsContact O-N 3.08Å; V1011-V1014 PolarHBondContact O-N 3.24Å; V1014-K1016 PolarHBondContact O-N 3.05Å; V1014-L1018 HydrophobicContact CG1-CD1 4.37Å; V1014-L1018 HydrophobicContact CG2-CD1 4.4Å; V1014-L1018 WeakPolarHBondContact O-CA 3.44Å; V1014-L1018 WeakPolarHBondContact O-CB 3.44Å; V1014-L1018 PolarHBondContact O-N 2.93Å; V1014-H1019 PolarHBondContact O-N 3.42Å; V1014-T1022 HydrophobicContact CB-CG2 3.93Å; V1014-T1022 HydrophobicContact CG1-CG2 3.56Å |
| 1015 | K | 87.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 38.8 Ų | 38.8 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -62.2 | -41 | -175.9 | -178.1 | 167.4 | 175.1 | 152.7 | 0 | 113.7 | V1011 L1013 T1022 S1037 A1038 D1039 | V1011-K1015 WeakPolarHBondContact O-CB 3.38Å; V1011-K1015 PolarHBondContact O-N 3.47Å; L1013-K1015 PolarHBondContact O-N 3.37Å; K1015-T1022 HydrophobicContact CB-CG2 3.97Å; K1015-S1037 WeakPolarHBondContact CD-O 3.31Å; K1015-S1037 PolarHBondContact NZ-O 3.16Å; K1015-A1038 PolarHBondContact NZ-O 2.96Å; K1015-A1038 VanDerWaalsContact NZ-O 3.16Å; K1015-D1039 WeakPolarHBondContact CE-OD1 3.26Å; K1015-D1039 VanDerWaalsContact NZ-CG 3.34Å; K1015-D1039 IonicContact NZ-OD1 3.15Å; K1015-D1039 PolarHBondContact NZ-OD1 3.16Å; K1015-D1039 IonicContact NZ-OD2 3Å |
| 1016 | K | 85.5 | Confident | 89.1 | Confident | 117 Ų | 117 | 35.2 Ų | 35.2 | 51% | 0.509 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -91.2 | -27 | -177.9 | -71.2 | -173.7 | -178.1 | 162.9 | 0 | 114.8 | E1012 L1013 V1014 H1019 | E1012-K1016 HydrophobicContact CG-CD 3.66Å; E1012-K1016 HydrophobicContact CG-CG 3.99Å; E1012-K1016 VanDerWaalsContact O-CB 3.27Å; E1012-K1016 WeakPolarHBondContact O-CB 3.27Å; E1012-K1016 PolarHBondContact O-N 2.99Å; E1012-K1016 WeakPolarHBondContact OE1-CE 3.36Å; E1012-K1016 IonicContact OE1-NZ 3.07Å; E1012-K1016 PolarHBondContact OE1-NZ 3.11Å; E1012-K1016 IonicContact OE2-NZ 2.69Å; E1012-K1016 PolarHBondContact OE2-NZ 3.04Å; L1013-K1016 PolarHBondContact O-N 3.42Å; V1014-K1016 PolarHBondContact O-N 3.05Å; K1016-H1019 PolarHBondContact O-CE1 2.68Å |
| 1017 | R | 84.4 | Confident | 89 | Confident | 151 Ų | 151 | 34.2 Ų | 34.2 | 57% | 0.57 | 16% | 0.157 | S | C | * | . | I | π-helix | trans | -110.1 | -31.7 | -173.6 | -56.3 | -57.2 | -167.7 | 179.4 | 4.5 | 114.5 | L988 L1013 | L988-R1017 HydrophobicContact CD1-CB 3.82Å; L988-R1017 HydrophobicContact CD1-CG 4.31Å; L988-R1017 HydrophobicContact CD2-CB 3.71Å; L988-R1017 HydrophobicContact CG-CB 4.45Å; L1013-R1017 HydrophobicContact CD1-CB 4.39Å; L1013-R1017 HydrophobicContact CD1-CG 3.84Å; L1013-R1017 WeakPolarHBondContact O-CA 3.5Å; L1013-R1017 VanDerWaalsContact O-CB 3.24Å; L1013-R1017 WeakPolarHBondContact O-CB 3.33Å; L1013-R1017 PolarHBondContact O-N 3.2Å |
| 1018 | L | 81.3 | Confident | 88.4 | Confident | 43 Ų | 43 | 34.2 Ų | 34.2 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -94.4 | -10.2 | 172.3 | -56.9 | 177.6 | 0 | 0 | 0 | 112.1 | W885 L988 I991 V1014 S1020 | W885-L1018 HydrophobicContact CH2-CD1 4.34Å; W885-L1018 HydrophobicContact CZ2-CD1 4.29Å; L988-L1018 HydrophobicContact CD2-CD2 3.81Å; L988-L1018 HydrophobicContact CD2-CG 4.16Å; I991-L1018 HydrophobicContact CG2-CD1 4.35Å; V1014-L1018 HydrophobicContact CG1-CD1 4.37Å; V1014-L1018 HydrophobicContact CG2-CD1 4.4Å; V1014-L1018 WeakPolarHBondContact O-CA 3.44Å; V1014-L1018 WeakPolarHBondContact O-CB 3.44Å; V1014-L1018 PolarHBondContact O-N 2.93Å; L1018-S1020 PolarHBondContact O-N 2.89Å |
| 1019 | H | 82.7 | Confident | 87.6 | Confident | 141 Ų | 141 | 34 Ų | 34 | 65% | 0.653 | 16% | 0.156 | S | C | * | . | trans | 57.5 | 14.3 | -178.8 | -60.6 | -55.9 | 0 | 0 | 0 | 115.4 | K280 V1014 K1016 | K280-H1019 PolarHBondContact NZ-O 3.11Å; V1014-H1019 PolarHBondContact O-N 3.42Å; K1016-H1019 PolarHBondContact O-CE1 2.68Å | ||
| 1020 | S | 84.7 | Confident | 86.9 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 149.3 | 176.6 | -81.8 | 0 | 0 | 0 | 0 | 113 | E401 H402 L1018 | E401-S1020 WeakPolarHBondContact OE2-CA 3.33Å; E401-S1020 VanDerWaalsContact OE2-CB 3.24Å; E401-S1020 WeakPolarHBondContact OE2-CB 3.41Å; E401-S1020 PolarHBondContact OE2-OG 2.96Å; H402-S1020 PolarHBondContact CE1-OG 3.31Å; H402-S1020 VanDerWaalsContact ND1-CB 3.25Å; H402-S1020 WeakPolarHBondContact ND1-CB 3.14Å; H402-S1020 PolarHBondContact ND1-OG 3.33Å; L1018-S1020 PolarHBondContact O-N 2.89Å |
| 1021 | L | 90 | Very high | 86.6 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 123.9 | 171.9 | -164.8 | 146.9 | 0 | 0 | 0 | 110 | K280 E396 Q399 V400 E401 H402 D1039 | K280-L1021 HydrophobicContact CB-CD1 4.02Å; K280-L1021 HydrophobicContact CD-CB 4.38Å; K280-L1021 HydrophobicContact CD-CD1 3.96Å; E396-L1021 HydrophobicContact CB-CD1 4.08Å; E396-L1021 HydrophobicContact CB-CD2 4.4Å; E396-L1021 HydrophobicContact CG-CD1 4.23Å; E396-L1021 WeakPolarHBondContact OE1-CD1 3.47Å; Q399-L1021 HydrophobicContact CB-CD1 4.13Å; Q399-L1021 WeakPolarHBondContact O-CB 3.42Å; V400-L1021 HydrophobicContact CB-CD2 4.42Å; V400-L1021 HydrophobicContact CG2-CD2 3.99Å; E401-L1021 PolarHBondContact N-O 2.83Å; H402-L1021 PolarHBondContact N-O 3.14Å; L1021-D1039 HydrophobicContact CD2-CB 4.14Å; L1021-D1039 HydrophobicContact CG-CB 3.98Å |
| 1022 | T | 94 | Very high | 86 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.2 | -172.3 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | L404 V1014 K1015 A1038 D1039 V1040 | L404-T1022 HydrophobicContact CD1-CG2 4.07Å; V1014-T1022 HydrophobicContact CB-CG2 3.93Å; V1014-T1022 HydrophobicContact CG1-CG2 3.56Å; K1015-T1022 HydrophobicContact CB-CG2 3.97Å; T1022-A1038 WeakPolarHBondContact OG1-CA 3.49Å; T1022-D1039 PolarHBondContact N-OD2 3.37Å; T1022-D1039 WeakPolarHBondContact O-CA 3.42Å; T1022-D1039 WeakPolarHBondContact O-CB 3.45Å; T1022-D1039 PolarHBondContact O-N 2.97Å; T1022-D1039 PolarHBondContact OG1-N 3.08Å; T1022-D1039 PolarHBondContact OG1-OD2 2.98Å; T1022-V1040 PolarHBondContact O-N 2.64Å |
| 1023 | L | 96.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136 | 164.3 | -174.7 | 150.6 | 0 | 0 | 0 | 108.8 | L397 V400 H402 I403 L404 V1025 V1040 V1042 L1066 L1070 | L397-L1023 HydrophobicContact CD2-CD1 4.3Å; V400-L1023 HydrophobicContact CB-CB 4.49Å; V400-L1023 HydrophobicContact CG1-CB 3.56Å; V400-L1023 HydrophobicContact CG1-CD1 4.5Å; V400-L1023 HydrophobicContact CG2-CB 4.04Å; V400-L1023 HydrophobicContact CG2-CD1 3.89Å; H402-L1023 PolarHBondContact O-N 3.09Å; I403-L1023 CarbonylContact C-O 3.56Å; I403-L1023 WeakPolarHBondContact CA-O 3.4Å; I403-L1023 HydrophobicContact CG1-CB 4.32Å; I403-L1023 HydrophobicContact CG1-CD2 4.26Å; I403-L1023 HydrophobicContact CG2-CD2 4.21Å; L404-L1023 PolarHBondContact N-O 2.9Å; L1023-V1025 HydrophobicContact CD2-CG2 3.47Å; L1023-V1025 VanDerWaalsContact CD2-CG2 3.47Å; L1023-V1040 CarbonylContact C-O 3.54Å; L1023-V1040 VanDerWaalsContact CA-O 3.27Å; L1023-V1040 WeakPolarHBondContact CA-O 3.35Å; L1023-V1040 HydrophobicContact CB-CB 4.24Å; L1023-V1040 HydrophobicContact CD1-CB 4.06Å; L1023-V1040 HydrophobicContact CD1-CG1 3.82Å; L1023-V1040 HydrophobicContact CG-CB 4Å; L1023-V1040 HydrophobicContact CG-CG1 4.05Å; L1023-V1042 HydrophobicContact CD1-CG2 3.97Å; L1023-V1042 HydrophobicContact CD2-CG2 3.93Å; L1023-V1042 HydrophobicContact CG-CG2 4.02Å; L1023-L1066 HydrophobicContact CD1-CD1 4.29Å; L1023-L1066 HydrophobicContact CD2-CD1 4.21Å; L1023-L1070 HydrophobicContact CD1-CD1 4.33Å; L1023-L1070 HydrophobicContact CD1-CD2 3.85Å |
| 1024 | A | 95.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L404 M1034 L1035 A1038 V1040 V1042 | L404-A1024 CarbonylContact O-C 3.55Å; L404-A1024 WeakPolarHBondContact O-CA 3.46Å; A1024-M1034 HydrophobicContact CB-CE 4.37Å; A1024-M1034 HydrophobicContact CB-CG 4.01Å; A1024-L1035 HydrophobicContact CB-CD2 4.07Å; A1024-L1035 VanDerWaalsContact O-CD2 3.32Å; A1024-L1035 WeakPolarHBondContact O-CD2 3.23Å; A1024-A1038 HydrophobicContact CB-CB 3.6Å; A1024-V1040 PolarHBondContact N-O 3.21Å; A1024-V1042 PolarHBondContact O-N 3.31Å |
| 1025 | V | 95 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.5 | 177.4 | -163.4 | 0 | 0 | 0 | 0 | 110.1 | I403 L404 S405 D406 T410 L1023 M1034 V1042 I1044 M1060 F1063 L1066 | I403-V1025 HydrophobicContact CG2-CG2 4.15Å; L404-V1025 PolarHBondContact O-N 2.99Å; S405-V1025 WeakPolarHBondContact CA-O 3.43Å; D406-V1025 PolarHBondContact N-O 3.04Å; D406-V1025 VanDerWaalsContact N-O 3.11Å; T410-V1025 HydrophobicContact CG2-CB 4.21Å; T410-V1025 HydrophobicContact CG2-CG1 3.78Å; L1023-V1025 HydrophobicContact CD2-CG2 3.47Å; L1023-V1025 VanDerWaalsContact CD2-CG2 3.47Å; V1025-M1034 WeakPolarHBondContact O-CE 3.45Å; V1025-V1042 WeakPolarHBondContact CA-O 3.38Å; V1025-I1044 HydrophobicContact CG1-CD1 3.99Å; V1025-I1044 HydrophobicContact CG1-CG1 4.04Å; V1025-M1060 HydrophobicContact CG1-CE 3.68Å; V1025-F1063 HydrophobicContact CB-CE2 4.43Å; V1025-F1063 HydrophobicContact CG1-CD2 4.16Å; V1025-F1063 HydrophobicContact CG1-CE2 4.29Å; V1025-F1063 HydrophobicContact CG2-CE2 4.3Å; V1025-L1066 HydrophobicContact CG2-CD2 3.91Å |
| 1026 | G | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T410 V1042 G1043 I1044 | T410-G1026 VanDerWaalsContact OG1-CA 3.29Å; T410-G1026 WeakPolarHBondContact OG1-CA 3.38Å; G1026-V1042 PolarHBondContact N-O 3.01Å; G1026-G1043 CarbonylContact O-C 3.06Å; G1026-G1043 VanDerWaalsContact O-CA 3.29Å; G1026-G1043 WeakPolarHBondContact O-CA 3.34Å; G1026-I1044 PolarHBondContact O-N 3.5Å |
| 1027 | D | 84.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.043 | 11% | 0.112 | C | C | . | . | trans | -127.7 | -39.4 | -176.3 | 63.3 | -46.1 | 0 | 0 | 0 | 113.2 | G409 T410 I1044 A1052 | G409-D1027 WeakPolarHBondContact CA-OD2 3.33Å; T410-D1027 PolarHBondContact OG1-N 3.13Å; T410-D1027 PolarHBondContact OG1-OD1 2.87Å; D1027-I1044 HydrophobicContact CB-CB 4.06Å; D1027-A1052 VanDerWaalsContact C-CB 3.47Å; D1027-A1052 WeakPolarHBondContact O-CB 3.22Å | ||
| 1028 | G | 75.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 15.7 Ų | 15.7 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -76.6 | 163.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1030 D1031 | G1028-N1030 PolarHBondContact O-N 3.42Å; G1028-N1030 VanDerWaalsContact O-N 3.15Å; G1028-D1031 PolarHBondContact O-N 3.02Å; G1028-D1031 VanDerWaalsContact O-N 3.16Å |
| 1029 | A | 71.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 14.5 Ų | 14.5 | 7% | 0.074 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -63 | -18.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T158 D1031 V1032 H1051 | T158-A1029 WeakPolarHBondContact O-CB 3.47Å; T158-A1029 PolarHBondContact O-N 3.47Å; A1029-D1031 PolarHBondContact O-N 3.29Å; A1029-V1032 WeakPolarHBondContact O-CB 3.49Å; A1029-V1032 PolarHBondContact O-N 2.94Å; A1029-H1051 HydrophobicContact CB-CB 3.7Å |
| 1030 | N | 75.2 | Confident | 87.2 | Confident | 16 Ų | 16 | 7.8 Ų | 7.8 | 9% | 0.086 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -56.2 | -29.9 | 173.9 | -144.3 | -109.3 | 0 | 0 | 0 | 112.7 | L159 D160 P1004 K1007 G1028 | L159-N1030 WeakPolarHBondContact O-CA 3.45Å; L159-N1030 VanDerWaalsContact O-CB 3.29Å; L159-N1030 WeakPolarHBondContact O-CB 3.38Å; L159-N1030 PolarHBondContact O-N 2.8Å; L159-N1030 PolarHBondContact O-ND2 3.29Å; D160-N1030 WeakPolarHBondContact CA-ND2 3.17Å; P1004-N1030 WeakPolarHBondContact CB-O 3.32Å; P1004-N1030 WeakPolarHBondContact CG-ND2 3.47Å; P1004-N1030 WeakPolarHBondContact CG-OD1 3.5Å; K1007-N1030 PolarHBondContact NZ-OD1 3.05Å; G1028-N1030 PolarHBondContact O-N 3.42Å; G1028-N1030 VanDerWaalsContact O-N 3.15Å |
| 1031 | D | 83.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.016 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -97.4 | -7 | -177.9 | -61.5 | -46.8 | 0 | 0 | 0 | 114.1 | K1007 G1028 A1029 P1033 M1034 L1035 | K1007-D1031 VanDerWaalsContact CD-OD1 3.31Å; K1007-D1031 WeakPolarHBondContact CD-OD1 3.4Å; K1007-D1031 WeakPolarHBondContact CE-OD1 3.46Å; K1007-D1031 IonicContact NZ-OD1 2.68Å; K1007-D1031 PolarHBondContact NZ-OD1 3.16Å; G1028-D1031 PolarHBondContact O-N 3.02Å; G1028-D1031 VanDerWaalsContact O-N 3.16Å; A1029-D1031 PolarHBondContact O-N 3.29Å; D1031-P1033 VanDerWaalsContact C-CD 3.48Å; D1031-P1033 VanDerWaalsContact C-N 3.31Å; D1031-M1034 HydrophobicContact CB-CE 4.06Å; D1031-M1034 CarbonylContact O-C 3.55Å; D1031-M1034 WeakPolarHBondContact O-CA 3.31Å; D1031-M1034 VanDerWaalsContact O-CB 3.25Å; D1031-M1034 WeakPolarHBondContact O-CB 3.34Å; D1031-M1034 PolarHBondContact O-N 3.44Å; D1031-L1035 HydrophobicContact CB-CD1 4.34Å; D1031-L1035 HydrophobicContact CB-CG 4.41Å; D1031-L1035 WeakPolarHBondContact O-CG 3.36Å; D1031-L1035 PolarHBondContact O-N 2.89Å |
| 1032 | V | 81.3 | Confident | 87.8 | Confident | 9 Ų | 9 | 6.8 Ų | 6.8 | 6% | 0.055 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -52.4 | -43.2 | 177.1 | 168.5 | 0 | 0 | 0 | 0 | 112.5 | A1029 M1034 L1035 Q1036 A1055 | A1029-V1032 WeakPolarHBondContact O-CB 3.49Å; A1029-V1032 PolarHBondContact O-N 2.94Å; V1032-M1034 VanDerWaalsContact C-N 3.31Å; V1032-M1034 PolarHBondContact O-N 3.46Å; V1032-L1035 PolarHBondContact O-N 3.12Å; V1032-Q1036 HydrophobicContact CG1-CG 4.31Å; V1032-Q1036 WeakPolarHBondContact O-CB 3.46Å; V1032-Q1036 VanDerWaalsContact O-CG 3.23Å; V1032-Q1036 WeakPolarHBondContact O-CG 3.46Å; V1032-Q1036 PolarHBondContact O-N 2.87Å; V1032-A1055 HydrophobicContact CB-CB 4.33Å; V1032-A1055 HydrophobicContact CG1-CB 3.75Å; V1032-A1055 HydrophobicContact CG2-CB 3.85Å |
| 1033 | P | 84.5 | Confident | 87.7 | Confident | 14 Ų | 14 | 6.8 Ų | 6.8 | 9% | 0.091 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | 172.5 | -24.9 | 36.1 | 0 | 0 | 0 | 113.9 | P1004 A1008 D1031 S1037 | P1004-P1033 HydrophobicContact CB-CG 4.2Å; A1008-P1033 HydrophobicContact CB-CB 3.85Å; D1031-P1033 VanDerWaalsContact C-CD 3.48Å; D1031-P1033 VanDerWaalsContact C-N 3.31Å; P1033-S1037 VanDerWaalsContact O-CB 3.3Å; P1033-S1037 WeakPolarHBondContact O-CB 3.48Å; P1033-S1037 PolarHBondContact O-N 3.5Å; P1033-S1037 PolarHBondContact O-OG 3.39Å |
| 1034 | M | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69.3 | -50.8 | 179 | -167.8 | 179.5 | 61.9 | 0 | 0 | 110.9 | L887 K1007 V1011 A1024 V1025 D1031 V1032 Q1036 S1037 A1038 | L887-M1034 HydrophobicContact CD1-SD 3.84Å; K1007-M1034 HydrophobicContact CB-CB 4.07Å; K1007-M1034 HydrophobicContact CB-CG 4.13Å; K1007-M1034 HydrophobicContact CB-SD 3.98Å; K1007-M1034 HydrophobicContact CD-SD 4.37Å; K1007-M1034 HydrophobicContact CG-SD 4.41Å; V1011-M1034 HydrophobicContact CG2-CG 3.44Å; V1011-M1034 VanDerWaalsContact CG2-CG 3.44Å; V1011-M1034 HydrophobicContact CG2-SD 4.47Å; A1024-M1034 HydrophobicContact CB-CE 4.37Å; A1024-M1034 HydrophobicContact CB-CG 4.01Å; V1025-M1034 WeakPolarHBondContact O-CE 3.45Å; D1031-M1034 HydrophobicContact CB-CE 4.06Å; D1031-M1034 CarbonylContact O-C 3.55Å; D1031-M1034 WeakPolarHBondContact O-CA 3.31Å; D1031-M1034 VanDerWaalsContact O-CB 3.25Å; D1031-M1034 WeakPolarHBondContact O-CB 3.34Å; D1031-M1034 PolarHBondContact O-N 3.44Å; V1032-M1034 VanDerWaalsContact C-N 3.31Å; V1032-M1034 PolarHBondContact O-N 3.46Å; M1034-Q1036 VanDerWaalsContact C-N 3.35Å; M1034-Q1036 PolarHBondContact O-N 3.44Å; M1034-S1037 PolarHBondContact O-N 2.95Å; M1034-A1038 PolarHBondContact O-N 3.37Å; M1034-A1038 VanDerWaalsContact O-N 3.17Å |
| 1035 | L | 89.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 179 | -66.8 | 171.2 | 0 | 0 | 0 | 112.8 | A1024 D1031 V1032 V1042 A1052 | A1024-L1035 HydrophobicContact CB-CD2 4.07Å; A1024-L1035 VanDerWaalsContact O-CD2 3.32Å; A1024-L1035 WeakPolarHBondContact O-CD2 3.23Å; D1031-L1035 HydrophobicContact CB-CD1 4.34Å; D1031-L1035 HydrophobicContact CB-CG 4.41Å; D1031-L1035 WeakPolarHBondContact O-CG 3.36Å; D1031-L1035 PolarHBondContact O-N 2.89Å; V1032-L1035 PolarHBondContact O-N 3.12Å; L1035-V1042 VanDerWaalsContact CD2-O 3.31Å; L1035-V1042 WeakPolarHBondContact CD2-O 3.42Å; L1035-A1052 HydrophobicContact CD1-CB 3.66Å |
| 1036 | Q | 86.1 | Confident | 85.1 | Confident | 26 Ų | 26 | 10.4 Ų | 10.4 | 12% | 0.121 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -78.6 | -26.5 | -179.1 | -67.2 | 178.4 | -35.4 | 0 | 0 | 113.1 | S272 V1032 M1034 A1055 | S272-Q1036 PolarHBondContact O-NE2 3.39Å; S272-Q1036 PolarHBondContact O-OE1 2.84Å; S272-Q1036 WeakPolarHBondContact OG-CB 3.37Å; S272-Q1036 VanDerWaalsContact OG-CD 3.28Å; S272-Q1036 PolarHBondContact OG-OE1 2.94Å; V1032-Q1036 HydrophobicContact CG1-CG 4.31Å; V1032-Q1036 WeakPolarHBondContact O-CB 3.46Å; V1032-Q1036 VanDerWaalsContact O-CG 3.23Å; V1032-Q1036 WeakPolarHBondContact O-CG 3.46Å; V1032-Q1036 PolarHBondContact O-N 2.87Å; M1034-Q1036 VanDerWaalsContact C-N 3.35Å; M1034-Q1036 PolarHBondContact O-N 3.44Å; Q1036-A1055 HydrophobicContact CG-CB 4.35Å |
| 1037 | S | 87.7 | Confident | 83.3 | Confident | 38 Ų | 38 | 18.6 Ų | 18.6 | 27% | 0.266 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -74.2 | -32 | 175.4 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | K1015 P1033 M1034 | K1015-S1037 WeakPolarHBondContact CD-O 3.31Å; K1015-S1037 PolarHBondContact NZ-O 3.16Å; P1033-S1037 VanDerWaalsContact O-CB 3.3Å; P1033-S1037 WeakPolarHBondContact O-CB 3.48Å; P1033-S1037 PolarHBondContact O-N 3.5Å; P1033-S1037 PolarHBondContact O-OG 3.39Å; M1034-S1037 PolarHBondContact O-N 2.95Å |
| 1038 | A | 92 | Very high | 81.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -64.2 | 162.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | K277 V1011 K1015 T1022 A1024 M1034 V1040 | K277-A1038 WeakPolarHBondContact CE-O 3.47Å; K277-A1038 PolarHBondContact NZ-O 3.34Å; V1011-A1038 VanDerWaalsContact CG1-CA 3.49Å; V1011-A1038 HydrophobicContact CG1-CB 3.88Å; K1015-A1038 PolarHBondContact NZ-O 2.96Å; K1015-A1038 VanDerWaalsContact NZ-O 3.16Å; T1022-A1038 WeakPolarHBondContact OG1-CA 3.49Å; A1024-A1038 HydrophobicContact CB-CB 3.6Å; M1034-A1038 PolarHBondContact O-N 3.37Å; M1034-A1038 VanDerWaalsContact O-N 3.17Å; A1038-V1040 WeakPolarHBondContact CB-O 3.18Å |
| 1039 | D | 91.8 | Very high | 80.9 | Confident | 17 Ų | 17 | 20.5 Ų | 20.5 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -69.8 | -43.6 | 168.8 | -57.6 | -65.4 | 0 | 0 | 0 | 109.9 | K277 K1015 L1021 T1022 | K277-D1039 VanDerWaalsContact CD-O 3.29Å; K277-D1039 WeakPolarHBondContact CD-O 3.45Å; K277-D1039 WeakPolarHBondContact CE-O 3.45Å; K277-D1039 PolarHBondContact NZ-O 3.47Å; K1015-D1039 WeakPolarHBondContact CE-OD1 3.26Å; K1015-D1039 VanDerWaalsContact NZ-CG 3.34Å; K1015-D1039 IonicContact NZ-OD1 3.15Å; K1015-D1039 PolarHBondContact NZ-OD1 3.16Å; K1015-D1039 IonicContact NZ-OD2 3Å; L1021-D1039 HydrophobicContact CD2-CB 4.14Å; L1021-D1039 HydrophobicContact CG-CB 3.98Å; T1022-D1039 PolarHBondContact N-OD2 3.37Å; T1022-D1039 WeakPolarHBondContact O-CA 3.42Å; T1022-D1039 WeakPolarHBondContact O-CB 3.45Å; T1022-D1039 PolarHBondContact O-N 2.97Å; T1022-D1039 PolarHBondContact OG1-N 3.08Å; T1022-D1039 PolarHBondContact OG1-OD2 2.98Å |
| 1040 | V | 93.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.4 | 170.6 | -179 | 0 | 0 | 0 | 0 | 110.3 | I393 E396 L397 T1022 L1023 A1024 A1038 V1042 F1058 | I393-V1040 HydrophobicContact CD1-CG2 4.26Å; E396-V1040 HydrophobicContact CB-CG2 4.03Å; L397-V1040 HydrophobicContact CD2-CG1 3.98Å; T1022-V1040 PolarHBondContact O-N 2.64Å; L1023-V1040 CarbonylContact C-O 3.54Å; L1023-V1040 VanDerWaalsContact CA-O 3.27Å; L1023-V1040 WeakPolarHBondContact CA-O 3.35Å; L1023-V1040 HydrophobicContact CB-CB 4.24Å; L1023-V1040 HydrophobicContact CD1-CB 4.06Å; L1023-V1040 HydrophobicContact CD1-CG1 3.82Å; L1023-V1040 HydrophobicContact CG-CB 4Å; L1023-V1040 HydrophobicContact CG-CG1 4.05Å; A1024-V1040 PolarHBondContact N-O 3.21Å; A1038-V1040 WeakPolarHBondContact CB-O 3.18Å; V1040-V1042 HydrophobicContact CG1-CG2 4.04Å; V1040-F1058 HydrophobicContact CG1-CD2 3.68Å; V1040-F1058 HydrophobicContact CG1-CE2 3.75Å |
| 1041 | G | 93 | Very high | 80.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1056 D1057 F1058 | G1041-S1056 WeakPolarHBondContact O-CB 3.39Å; G1041-D1057 PolarHBondContact N-OD2 3.43Å; G1041-D1057 PolarHBondContact O-N 2.92Å; G1041-F1058 PolarHBondContact O-N 3.05Å; G1041-F1058 VanDerWaalsContact O-N 3.16Å |
| 1042 | V | 93.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.8 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | L1023 A1024 V1025 G1026 L1035 V1040 F1058 M1060 L1066 | L1023-V1042 HydrophobicContact CD1-CG2 3.97Å; L1023-V1042 HydrophobicContact CD2-CG2 3.93Å; L1023-V1042 HydrophobicContact CG-CG2 4.02Å; A1024-V1042 PolarHBondContact O-N 3.31Å; V1025-V1042 WeakPolarHBondContact CA-O 3.38Å; G1026-V1042 PolarHBondContact N-O 3.01Å; L1035-V1042 VanDerWaalsContact CD2-O 3.31Å; L1035-V1042 WeakPolarHBondContact CD2-O 3.42Å; V1040-V1042 HydrophobicContact CG1-CG2 4.04Å; V1042-F1058 WeakPolarHBondContact CA-O 3.34Å; V1042-F1058 HydrophobicContact CG1-CB 4.36Å; V1042-F1058 HydrophobicContact CG2-CB 4.42Å; V1042-M1060 HydrophobicContact CG1-CE 3.68Å; V1042-M1060 HydrophobicContact CG1-CG 3.91Å; V1042-M1060 HydrophobicContact CG1-SD 3.7Å; V1042-L1066 HydrophobicContact CG2-CD1 4.48Å |
| 1043 | G | 91.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1026 S1056 F1058 S1059 M1060 | G1026-G1043 CarbonylContact O-C 3.06Å; G1026-G1043 VanDerWaalsContact O-CA 3.29Å; G1026-G1043 WeakPolarHBondContact O-CA 3.34Å; G1043-S1056 PolarHBondContact N-OG 3.4Å; G1043-F1058 PolarHBondContact N-O 2.85Å; G1043-S1059 CarbonylContact O-C 3.52Å; G1043-S1059 WeakPolarHBondContact O-CA 3.42Å; G1043-S1059 WeakPolarHBondContact O-CB 3.4Å; G1043-M1060 PolarHBondContact O-N 2.99Å |
| 1044 | I | 89.2 | Confident | 79.5 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.7 | 171 | -66.7 | -175.1 | 0 | 0 | 0 | 109.8 | T410 V1025 G1026 D1027 G1046 V1053 M1060 F1063 | T410-I1044 HydrophobicContact CG2-CD1 4.02Å; V1025-I1044 HydrophobicContact CG1-CD1 3.99Å; V1025-I1044 HydrophobicContact CG1-CG1 4.04Å; G1026-I1044 PolarHBondContact O-N 3.5Å; D1027-I1044 HydrophobicContact CB-CB 4.06Å; I1044-G1046 PolarHBondContact O-N 3.13Å; I1044-V1053 WeakPolarHBondContact O-CG2 3.22Å; I1044-M1060 CarbonylContact C-O 3.55Å; I1044-M1060 VanDerWaalsContact CA-O 3.25Å; I1044-M1060 WeakPolarHBondContact CA-O 2.93Å; I1044-M1060 HydrophobicContact CD1-CE 3.87Å; I1044-M1060 HydrophobicContact CG1-CE 3.7Å; I1044-M1060 HydrophobicContact CG1-CG 4.09Å; I1044-F1063 HydrophobicContact CD1-CB 4.05Å; I1044-F1063 HydrophobicContact CD1-CD2 4.33Å |
| 1045 | S | 77.4 | Confident | 78.8 | Confident | 30 Ų | 30 | 30 Ų | 30 | 21% | 0.21 | 17% | 0.17 | C | C | . | . | trans | -90.1 | 72.9 | -178.7 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | M1060 P1061 | S1045-M1060 PolarHBondContact N-O 3.18Å; S1045-M1060 PolarHBondContact OG-O 3.33Å; S1045-P1061 WeakPolarHBondContact OG-CA 3.28Å | ||
| 1046 | G | 65.2 | Low | 78.6 | Confident | 44 Ų | 44 | 30.2 Ų | 30.2 | 45% | 0.454 | 17% | 0.171 | S | C | . | . | trans | -83 | -172.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1044 E1048 | I1044-G1046 PolarHBondContact O-N 3.13Å; G1046-E1048 VanDerWaalsContact C-N 3.33Å | ||
| 1047 | K | 52.6 | Low | 78.7 | Confident | 172 Ų | 172 | 29.4 Ų | 29.4 | 75% | 0.748 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -75.5 | -23.3 | 172.2 | -70.8 | 176.5 | -178.6 | 167.2 | 0 | 112.6 | V445 G1049 | V445-K1047 PolarHBondContact O-NZ 2.9Å; K1047-G1049 PolarHBondContact O-N 3.07Å |
| 1048 | E | 53.4 | Low | 78.9 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 13% | 0.131 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -78.8 | 29.8 | -170.9 | -61.2 | 173.1 | -154.6 | 0 | 0 | 113.3 | T158 N163 N414 G1046 | T158-E1048 VanDerWaalsContact CA-O 3.24Å; T158-E1048 WeakPolarHBondContact CA-O 3.35Å; T158-E1048 WeakPolarHBondContact CB-O 3.17Å; T158-E1048 WeakPolarHBondContact CG2-O 3.47Å; N163-E1048 PolarHBondContact ND2-OE1 3.36Å; N163-E1048 PolarHBondContact OD1-OE1 2.84Å; N163-E1048 PolarHBondContact OD1-OE2 3.26Å; N163-E1048 VanDerWaalsContact OD1-OE2 3.11Å; N414-E1048 PolarHBondContact ND2-OE1 3.47Å; N414-E1048 PolarHBondContact ND2-OE2 3.48Å; N414-E1048 VanDerWaalsContact ND2-OE2 3.14Å; G1046-E1048 VanDerWaalsContact C-N 3.33Å |
| 1049 | G | 56.6 | Low | 78.8 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | trans | 98.8 | 160 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1047 H1051 | K1047-G1049 PolarHBondContact O-N 3.07Å; G1049-H1051 VanDerWaalsContact C-N 3.35Å; G1049-H1051 PolarHBondContact O-N 3.29Å | ||
| 1050 | M | 67.2 | Low | 78.8 | Confident | 132 Ų | 132 | 27 Ų | 27 | 65% | 0.65 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -86.8 | 5 | -176.6 | -70 | -176.3 | 170.1 | 0 | 0 | 114.4 | A1052 V1053 I1054 | M1050-A1052 PolarHBondContact O-N 3Å; M1050-V1053 WeakPolarHBondContact O-CB 3.31Å; M1050-V1053 PolarHBondContact O-N 3.3Å; M1050-I1054 HydrophobicContact CB-CD1 3.8Å; M1050-I1054 HydrophobicContact CB-CG1 4.22Å; M1050-I1054 VanDerWaalsContact O-CD1 3.3Å; M1050-I1054 WeakPolarHBondContact O-CD1 3.26Å; M1050-I1054 WeakPolarHBondContact O-CG1 3.39Å; M1050-I1054 PolarHBondContact O-N 2.74Å |
| 1051 | H | 70.5 | Confident | 78.6 | Confident | 56 Ų | 56 | 27.2 Ų | 27.2 | 26% | 0.259 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | -167.4 | -69.7 | 160.5 | 0 | 0 | 0 | 113.7 | A1029 G1049 A1055 | A1029-H1051 HydrophobicContact CB-CB 3.7Å; G1049-H1051 VanDerWaalsContact C-N 3.35Å; G1049-H1051 PolarHBondContact O-N 3.29Å; H1051-A1055 PolarHBondContact O-N 3.44Å |
| 1052 | A | 75.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | D1027 L1035 M1050 I1054 A1055 S1056 | D1027-A1052 VanDerWaalsContact C-CB 3.47Å; D1027-A1052 WeakPolarHBondContact O-CB 3.22Å; L1035-A1052 HydrophobicContact CD1-CB 3.66Å; M1050-A1052 PolarHBondContact O-N 3Å; A1052-I1054 PolarHBondContact O-N 3.5Å; A1052-A1055 PolarHBondContact O-N 3.48Å; A1052-S1056 VanDerWaalsContact O-CB 3.31Å; A1052-S1056 WeakPolarHBondContact O-CB 3.36Å; A1052-S1056 PolarHBondContact O-N 2.91Å; A1052-S1056 PolarHBondContact O-OG 3.1Å |
| 1053 | V | 77.8 | Confident | 78.6 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 7% | 0.073 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -31.1 | -179.4 | 171.4 | 0 | 0 | 0 | 0 | 113.4 | R389 I1044 M1050 S1056 | R389-V1053 VanDerWaalsContact CD-O 3.31Å; R389-V1053 WeakPolarHBondContact CD-O 3.43Å; R389-V1053 PolarHBondContact NE-O 3.11Å; R389-V1053 PolarHBondContact NH1-O 3.39Å; I1044-V1053 WeakPolarHBondContact O-CG2 3.22Å; M1050-V1053 WeakPolarHBondContact O-CB 3.31Å; M1050-V1053 PolarHBondContact O-N 3.3Å; V1053-S1056 PolarHBondContact O-OG 3.23Å |
| 1054 | I | 75.2 | Confident | 78.7 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.5 | -36.4 | 175.3 | -67 | 156.5 | 0 | 0 | 0 | 111.4 | T25 M95 I99 M1050 A1052 | T25-I1054 HydrophobicContact CG2-CG2 4.1Å; M95-I1054 HydrophobicContact CE-CG1 3.86Å; I99-I1054 HydrophobicContact CD1-CD1 3.56Å; M1050-I1054 HydrophobicContact CB-CD1 3.8Å; M1050-I1054 HydrophobicContact CB-CG1 4.22Å; M1050-I1054 VanDerWaalsContact O-CD1 3.3Å; M1050-I1054 WeakPolarHBondContact O-CD1 3.26Å; M1050-I1054 WeakPolarHBondContact O-CG1 3.39Å; M1050-I1054 PolarHBondContact O-N 2.74Å; A1052-I1054 PolarHBondContact O-N 3.5Å |
| 1055 | A | 75.4 | Confident | 79 | Confident | 20 Ų | 20 | 32 Ų | 32 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85 | -17.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1032 Q1036 H1051 A1052 | V1032-A1055 HydrophobicContact CB-CB 4.33Å; V1032-A1055 HydrophobicContact CG1-CB 3.75Å; V1032-A1055 HydrophobicContact CG2-CB 3.85Å; Q1036-A1055 HydrophobicContact CG-CB 4.35Å; H1051-A1055 PolarHBondContact O-N 3.44Å; A1052-A1055 PolarHBondContact O-N 3.48Å |
| 1056 | S | 85.9 | Confident | 79.9 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -83.7 | 158.1 | -175.4 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | G1041 G1043 A1052 V1053 F1058 | G1041-S1056 WeakPolarHBondContact O-CB 3.39Å; G1043-S1056 PolarHBondContact N-OG 3.4Å; A1052-S1056 VanDerWaalsContact O-CB 3.31Å; A1052-S1056 WeakPolarHBondContact O-CB 3.36Å; A1052-S1056 PolarHBondContact O-N 2.91Å; A1052-S1056 PolarHBondContact O-OG 3.1Å; V1053-S1056 PolarHBondContact O-OG 3.23Å; S1056-F1058 WeakPolarHBondContact CB-O 3.29Å; S1056-F1058 PolarHBondContact OG-O 3.44Å |
| 1057 | D | 88.2 | Confident | 81.4 | Confident | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -78 | -32.2 | 174.4 | -61.4 | -71.6 | 0 | 0 | 0 | 112 | K277 R389 T390 I393 G1041 | K277-D1057 IonicContact NZ-OD1 2.69Å; K277-D1057 IonicContact NZ-OD2 2.7Å; K277-D1057 PolarHBondContact NZ-OD2 3.04Å; R389-D1057 WeakPolarHBondContact CA-O 3.33Å; R389-D1057 WeakPolarHBondContact CB-O 3.2Å; R389-D1057 PolarHBondContact N-O 3.5Å; T390-D1057 VanDerWaalsContact CB-OD1 3.29Å; T390-D1057 WeakPolarHBondContact CB-OD1 3.25Å; T390-D1057 PolarHBondContact N-O 3.39Å; T390-D1057 VanDerWaalsContact N-O 3.15Å; T390-D1057 PolarHBondContact OG1-OD1 2.87Å; I393-D1057 HydrophobicContact CD1-CB 3.98Å; G1041-D1057 PolarHBondContact N-OD2 3.43Å; G1041-D1057 PolarHBondContact O-N 2.92Å |
| 1058 | F | 91.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.6 | 175.5 | -57.7 | -90.5 | 0 | 0 | 0 | 109.3 | E387 C388 I393 L397 V1040 G1041 V1042 G1043 S1056 | E387-F1058 CarbonylContact O-C 3.45Å; E387-F1058 VanDerWaalsContact O-CA 3.31Å; E387-F1058 WeakPolarHBondContact O-CA 3.42Å; C388-F1058 HydrophobicContact CB-CD1 4.05Å; C388-F1058 HydrophobicContact CB-CE1 4.05Å; C388-F1058 VanDerWaalsContact SG-CE1 3.56Å; I393-F1058 HydrophobicContact CD1-CE2 4.43Å; I393-F1058 HydrophobicContact CG1-CE2 4.24Å; I393-F1058 HydrophobicContact CG1-CZ 4.47Å; L397-F1058 HydrophobicContact CD1-CD1 4.47Å; L397-F1058 HydrophobicContact CD1-CE1 3.77Å; L397-F1058 HydrophobicContact CD1-CE2 4.18Å; L397-F1058 HydrophobicContact CD1-CZ 3.61Å; L397-F1058 HydrophobicContact CD2-CD2 4.29Å; L397-F1058 HydrophobicContact CD2-CE2 3.91Å; L397-F1058 HydrophobicContact CD2-CZ 4.2Å; L397-F1058 HydrophobicContact CG-CE2 4.11Å; L397-F1058 HydrophobicContact CG-CZ 3.94Å; V1040-F1058 HydrophobicContact CG1-CD2 3.68Å; V1040-F1058 HydrophobicContact CG1-CE2 3.75Å; G1041-F1058 PolarHBondContact O-N 3.05Å; G1041-F1058 VanDerWaalsContact O-N 3.16Å; V1042-F1058 WeakPolarHBondContact CA-O 3.34Å; V1042-F1058 HydrophobicContact CG1-CB 4.36Å; V1042-F1058 HydrophobicContact CG2-CB 4.42Å; G1043-F1058 PolarHBondContact N-O 2.85Å; S1056-F1058 WeakPolarHBondContact CB-O 3.29Å; S1056-F1058 PolarHBondContact OG-O 3.44Å |
| 1059 | S | 90.5 | Very high | 85.5 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.3 | 167.6 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | V386 E387 R389 G1043 | V386-S1059 CarbonylContact C-O 3.54Å; V386-S1059 VanDerWaalsContact CA-O 3.24Å; V386-S1059 WeakPolarHBondContact CA-O 3.4Å; E387-S1059 PolarHBondContact N-O 2.97Å; E387-S1059 PolarHBondContact O-N 3.22Å; R389-S1059 PolarHBondContact NH1-OG 3.23Å; G1043-S1059 CarbonylContact O-C 3.52Å; G1043-S1059 WeakPolarHBondContact O-CA 3.42Å; G1043-S1059 WeakPolarHBondContact O-CB 3.4Å |
| 1060 | M | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.1 | -176.9 | 66.1 | -174.7 | 178.2 | 0 | 0 | 111.5 | V386 V1025 V1042 G1043 I1044 S1045 L1066 | V386-M1060 HydrophobicContact CG2-CB 3.79Å; V1025-M1060 HydrophobicContact CG1-CE 3.68Å; V1042-M1060 HydrophobicContact CG1-CE 3.68Å; V1042-M1060 HydrophobicContact CG1-CG 3.91Å; V1042-M1060 HydrophobicContact CG1-SD 3.7Å; G1043-M1060 PolarHBondContact O-N 2.99Å; I1044-M1060 CarbonylContact C-O 3.55Å; I1044-M1060 VanDerWaalsContact CA-O 3.25Å; I1044-M1060 WeakPolarHBondContact CA-O 2.93Å; I1044-M1060 HydrophobicContact CD1-CE 3.87Å; I1044-M1060 HydrophobicContact CG1-CE 3.7Å; I1044-M1060 HydrophobicContact CG1-CG 4.09Å; S1045-M1060 PolarHBondContact N-O 3.18Å; S1045-M1060 PolarHBondContact OG-O 3.33Å; M1060-L1066 HydrophobicContact CE-CB 4.12Å; M1060-L1066 HydrophobicContact CE-CD1 4.45Å; M1060-L1066 HydrophobicContact SD-CB 4.14Å |
| 1061 | P | 89.1 | Confident | 88.7 | Confident | 5 Ų | 5 | 14.3 Ų | 14.3 | 3% | 0.032 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -73 | -28.3 | -176.2 | 25.4 | -33.4 | 0 | 0 | 0 | 115 | D379 T382 S1045 Y1065 | D379-P1061 HydrophobicContact CB-CB 3.81Å; D379-P1061 HydrophobicContact CB-CG 3.49Å; D379-P1061 VanDerWaalsContact CB-CG 3.49Å; T382-P1061 HydrophobicContact CG2-CB 4.47Å; T382-P1061 VanDerWaalsContact OG1-CB 3.32Å; T382-P1061 WeakPolarHBondContact OG1-CB 3.47Å; S1045-P1061 WeakPolarHBondContact OG-CA 3.28Å; P1061-Y1065 HydrophobicContact CG-CD2 3.91Å; P1061-Y1065 HydrophobicContact CG-CE2 3.77Å |
| 1062 | R | 91.8 | Very high | 89.8 | Confident | 21 Ų | 21 | 11.7 Ų | 11.7 | 8% | 0.079 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -151.4 | 156 | -177.9 | -77 | -178.2 | 163.7 | 140.9 | -16 | 111.8 | D379 E381 E413 Q867 K1064 Y1065 | D379-R1062 IonicContact OD1-CZ 3.38Å; D379-R1062 IonicContact OD1-NH1 3.15Å; D379-R1062 PolarHBondContact OD1-NH1 3.46Å; D379-R1062 IonicContact OD2-NH1 2.62Å; E381-R1062 IonicContact OE1-CZ 2.82Å; E381-R1062 IonicContact OE1-NH1 2.66Å; E381-R1062 PolarHBondContact OE1-NH1 3.25Å; E381-R1062 IonicContact OE1-NH2 2.74Å; E381-R1062 IonicContact OE2-CZ 2.63Å; E381-R1062 IonicContact OE2-NH1 3.69Å; E381-R1062 PolarHBondContact OE2-NH1 2.94Å; E381-R1062 IonicContact OE2-NH2 3.16Å; E381-R1062 PolarHBondContact OE2-NH2 3.3Å; E413-R1062 IonicContact OE1-NE 3.98Å; E413-R1062 IonicContact OE1-NH2 3.88Å; E413-R1062 PolarHBondContact OE1-NH2 3.29Å; Q867-R1062 VanDerWaalsContact OE1-CA 3.32Å; R1062-K1064 VanDerWaalsContact C-N 3.3Å; R1062-K1064 HydrophobicContact CB-CD 4.49Å; R1062-K1064 HydrophobicContact CB-CG 4.15Å; R1062-K1064 PolarHBondContact O-N 2.93Å; R1062-Y1065 HydrophobicContact CB-CD2 4.03Å; R1062-Y1065 HydrophobicContact CB-CE2 4.07Å; R1062-Y1065 WeakPolarHBondContact O-CD2 3.44Å; R1062-Y1065 PolarHBondContact O-N 3.38Å |
| 1063 | F | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33.2 | -178.7 | -167.8 | -87 | 0 | 0 | 0 | 114 | T410 L411 V870 C873 I874 V1025 I1044 Y1065 L1066 | T410-F1063 HydrophobicContact CG2-CD2 4.27Å; L411-F1063 HydrophobicContact CD2-CD1 4.03Å; L411-F1063 HydrophobicContact CD2-CD2 3.64Å; L411-F1063 HydrophobicContact CD2-CE1 3.96Å; L411-F1063 HydrophobicContact CD2-CE2 3.57Å; L411-F1063 HydrophobicContact CD2-CG 3.88Å; L411-F1063 HydrophobicContact CD2-CZ 3.74Å; V870-F1063 HydrophobicContact CG2-CB 3.83Å; V870-F1063 HydrophobicContact CG2-CD1 3.92Å; V870-F1063 HydrophobicContact CG2-CG 4.13Å; C873-F1063 HydrophobicContact CB-CD1 4.2Å; C873-F1063 HydrophobicContact CB-CE1 4.25Å; C873-F1063 VanDerWaalsContact SG-CE1 3.56Å; I874-F1063 HydrophobicContact CD1-CE1 4.43Å; I874-F1063 HydrophobicContact CG1-CE1 3.92Å; I874-F1063 HydrophobicContact CG1-CZ 4.35Å; V1025-F1063 HydrophobicContact CB-CE2 4.43Å; V1025-F1063 HydrophobicContact CG1-CD2 4.16Å; V1025-F1063 HydrophobicContact CG1-CE2 4.29Å; V1025-F1063 HydrophobicContact CG2-CE2 4.3Å; I1044-F1063 HydrophobicContact CD1-CB 4.05Å; I1044-F1063 HydrophobicContact CD1-CD2 4.33Å; F1063-Y1065 PolarHBondContact O-N 3.04Å; F1063-L1066 HydrophobicContact CE1-CD2 4.4Å; F1063-L1066 HydrophobicContact CE2-CD2 3.99Å; F1063-L1066 HydrophobicContact CZ-CD2 3.87Å; F1063-L1066 VanDerWaalsContact O-CB 3.22Å; F1063-L1066 WeakPolarHBondContact O-CB 3.26Å; F1063-L1066 PolarHBondContact O-N 2.77Å |
| 1064 | K | 94.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 11.5 Ų | 11.5 | 24% | 0.235 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -30.3 | 178.4 | 69.8 | -170.9 | -179.6 | -166.1 | 0 | 114.2 | D379 P868 R1062 L1066 | D379-K1064 IonicContact OD1-NZ 2.79Å; D379-K1064 PolarHBondContact OD1-NZ 3.45Å; D379-K1064 VanDerWaalsContact OD1-NZ 3.08Å; P868-K1064 WeakPolarHBondContact O-CB 3.36Å; P868-K1064 WeakPolarHBondContact O-CD 3.36Å; R1062-K1064 VanDerWaalsContact C-N 3.3Å; R1062-K1064 HydrophobicContact CB-CD 4.49Å; R1062-K1064 HydrophobicContact CB-CG 4.15Å; R1062-K1064 PolarHBondContact O-N 2.93Å; K1064-L1066 VanDerWaalsContact C-N 3.28Å; K1064-L1066 PolarHBondContact O-N 2.72Å |
| 1065 | Y | 95.7 | Very high | 92.4 | Very high | 25 Ų | 25 | 10.1 Ų | 10.1 | 10% | 0.098 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -73.3 | -17.9 | -178.7 | -65.1 | -73.1 | 0 | 0 | 0 | 113.6 | K376 L377 Y378 D379 P1061 R1062 F1063 Q1067 R1068 L1069 | K376-Y1065 WeakPolarHBondContact O-CD1 3.25Å; K376-Y1065 VanDerWaalsContact O-CE1 3.31Å; K376-Y1065 WeakPolarHBondContact O-CE1 3.21Å; L377-Y1065 HydrophobicContact CD2-CD1 4.01Å; Y378-Y1065 PolarHBondContact O-OH 3.41Å; D379-Y1065 VanDerWaalsContact CA-OH 3.3Å; D379-Y1065 WeakPolarHBondContact CA-OH 3.32Å; D379-Y1065 HydrophobicContact CB-CE2 3.81Å; D379-Y1065 VanDerWaalsContact CB-OH 3.31Å; D379-Y1065 WeakPolarHBondContact CB-OH 3.27Å; D379-Y1065 PolarHBondContact OD1-OH 3.04Å; P1061-Y1065 HydrophobicContact CG-CD2 3.91Å; P1061-Y1065 HydrophobicContact CG-CE2 3.77Å; R1062-Y1065 HydrophobicContact CB-CD2 4.03Å; R1062-Y1065 HydrophobicContact CB-CE2 4.07Å; R1062-Y1065 WeakPolarHBondContact O-CD2 3.44Å; R1062-Y1065 PolarHBondContact O-N 3.38Å; F1063-Y1065 PolarHBondContact O-N 3.04Å; Y1065-Q1067 VanDerWaalsContact C-N 3.32Å; Y1065-Q1067 PolarHBondContact O-N 2.93Å; Y1065-R1068 PolarHBondContact O-N 3.32Å; Y1065-L1069 WeakPolarHBondContact O-CB 3.31Å; Y1065-L1069 PolarHBondContact O-N 2.95Å |
| 1066 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 177.8 | -171 | 63.3 | 0 | 0 | 0 | 112.3 | I403 L877 L1023 V1025 V1042 M1060 F1063 K1064 R1068 L1069 L1070 | I403-L1066 HydrophobicContact CD1-CD2 4.23Å; I403-L1066 HydrophobicContact CG2-CD2 4.46Å; L877-L1066 HydrophobicContact CD1-CD2 4.13Å; L877-L1066 HydrophobicContact CD1-CG 4.36Å; L1023-L1066 HydrophobicContact CD1-CD1 4.29Å; L1023-L1066 HydrophobicContact CD2-CD1 4.21Å; V1025-L1066 HydrophobicContact CG2-CD2 3.91Å; V1042-L1066 HydrophobicContact CG2-CD1 4.48Å; M1060-L1066 HydrophobicContact CE-CB 4.12Å; M1060-L1066 HydrophobicContact CE-CD1 4.45Å; M1060-L1066 HydrophobicContact SD-CB 4.14Å; F1063-L1066 HydrophobicContact CE1-CD2 4.4Å; F1063-L1066 HydrophobicContact CE2-CD2 3.99Å; F1063-L1066 HydrophobicContact CZ-CD2 3.87Å; F1063-L1066 VanDerWaalsContact O-CB 3.22Å; F1063-L1066 WeakPolarHBondContact O-CB 3.26Å; F1063-L1066 PolarHBondContact O-N 2.77Å; K1064-L1066 VanDerWaalsContact C-N 3.28Å; K1064-L1066 PolarHBondContact O-N 2.72Å; L1066-R1068 VanDerWaalsContact C-N 3.35Å; L1066-R1068 PolarHBondContact O-N 2.94Å; L1066-L1069 PolarHBondContact O-N 3.31Å; L1066-L1070 HydrophobicContact CD1-CD1 3.92Å; L1066-L1070 HydrophobicContact CD1-CG 4.08Å; L1066-L1070 HydrophobicContact CG-CD1 3.94Å; L1066-L1070 HydrophobicContact CG-CG 4.4Å; L1066-L1070 WeakPolarHBondContact O-CG 3.49Å; L1066-L1070 PolarHBondContact O-N 2.98Å |
| 1067 | Q | 95.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 10 Ų | 10 | 16% | 0.159 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -53.9 | -51 | 175 | -176.3 | -175.3 | 2 | 0 | 0 | 111 | C873 A876 Y1065 L1071 M1147 | C873-Q1067 HydrophobicContact CB-CB 4.36Å; A876-Q1067 HydrophobicContact CB-CG 3.89Å; Y1065-Q1067 VanDerWaalsContact C-N 3.32Å; Y1065-Q1067 PolarHBondContact O-N 2.93Å; Q1067-L1071 HydrophobicContact CG-CD1 3.65Å; Q1067-L1071 HydrophobicContact CG-CG 4.41Å; Q1067-L1071 VanDerWaalsContact O-CB 3.24Å; Q1067-L1071 WeakPolarHBondContact O-CB 3.3Å; Q1067-L1071 VanDerWaalsContact O-CG 3.24Å; Q1067-L1071 WeakPolarHBondContact O-CG 3.21Å; Q1067-L1071 PolarHBondContact O-N 2.98Å; Q1067-M1147 VanDerWaalsContact CD-CE 3.5Å; Q1067-M1147 HydrophobicContact CG-CE 3.79Å; Q1067-M1147 HydrophobicContact CG-SD 4.24Å |
| 1068 | R | 96.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 9.5 Ų | 9.5 | 8% | 0.083 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -71.9 | -38.6 | -179.8 | -177.4 | 173.5 | 177.2 | 81.2 | 1.6 | 112.5 | D374 L377 Y1065 L1066 L1070 V1072 H1073 D1143 M1147 | D374-R1068 IonicContact OD1-NE 3.2Å; D374-R1068 IonicContact OD1-NH2 3.87Å; D374-R1068 IonicContact OD2-CZ 3.53Å; D374-R1068 IonicContact OD2-NE 3.45Å; D374-R1068 PolarHBondContact OD2-NE 2.85Å; D374-R1068 IonicContact OD2-NH2 3.48Å; D374-R1068 PolarHBondContact OD2-NH2 3.43Å; L377-R1068 HydrophobicContact CD2-CB 3.97Å; L377-R1068 HydrophobicContact CD2-CG 3.95Å; Y1065-R1068 PolarHBondContact O-N 3.32Å; L1066-R1068 VanDerWaalsContact C-N 3.35Å; L1066-R1068 PolarHBondContact O-N 2.94Å; R1068-L1070 VanDerWaalsContact C-N 3.3Å; R1068-L1070 PolarHBondContact O-N 3.33Å; R1068-V1072 HydrophobicContact CG-CB 4.31Å; R1068-V1072 HydrophobicContact CG-CG2 4.22Å; R1068-V1072 WeakPolarHBondContact O-CB 3.21Å; R1068-V1072 PolarHBondContact O-N 3.22Å; R1068-H1073 PolarHBondContact O-N 3.47Å; R1068-D1143 IonicContact CZ-OD2 2.64Å; R1068-D1143 IonicContact NH1-OD2 2.93Å; R1068-D1143 PolarHBondContact NH1-OD2 2.87Å; R1068-D1143 IonicContact NH2-OD2 3.29Å; R1068-D1143 PolarHBondContact NH2-OD2 3.23Å; R1068-D1143 VanDerWaalsContact NH2-OD2 3.15Å; R1068-M1147 HydrophobicContact CB-CE 4.37Å; R1068-M1147 HydrophobicContact CB-SD 4.02Å; R1068-M1147 HydrophobicContact CG-SD 4.35Å |
| 1069 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -60.1 | -40 | 178.6 | -177.1 | 60.3 | 0 | 0 | 0 | 111.8 | I371 V386 L397 Y1065 L1066 H1073 G1074 | I371-L1069 HydrophobicContact CG2-CD1 3.96Å; V386-L1069 HydrophobicContact CG1-CD1 4.4Å; L397-L1069 HydrophobicContact CD1-CD1 3.84Å; L397-L1069 HydrophobicContact CD1-CG 4.08Å; L397-L1069 HydrophobicContact CD2-CG 4.45Å; Y1065-L1069 WeakPolarHBondContact O-CB 3.31Å; Y1065-L1069 PolarHBondContact O-N 2.95Å; L1066-L1069 PolarHBondContact O-N 3.31Å; L1069-H1073 WeakPolarHBondContact O-CB 3.48Å; L1069-G1074 PolarHBondContact O-N 2.9Å |
| 1070 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -84.7 | -57.9 | 178.7 | -61.8 | 177.9 | 0 | 0 | 0 | 112.7 | L397 V400 I403 L877 L1023 L1066 R1068 V1072 G1074 H1075 Y1153 | L397-L1070 HydrophobicContact CB-CD2 4.06Å; L397-L1070 HydrophobicContact CD2-CD2 3.77Å; L397-L1070 WeakPolarHBondContact O-CD2 3.4Å; V400-L1070 HydrophobicContact CG2-CD2 3.84Å; I403-L1070 HydrophobicContact CD1-CD1 3.8Å; L877-L1070 HydrophobicContact CD2-CB 4.45Å; L877-L1070 HydrophobicContact CD2-CD1 3.86Å; L1023-L1070 HydrophobicContact CD1-CD1 4.33Å; L1023-L1070 HydrophobicContact CD1-CD2 3.85Å; L1066-L1070 HydrophobicContact CD1-CD1 3.92Å; L1066-L1070 HydrophobicContact CD1-CG 4.08Å; L1066-L1070 HydrophobicContact CG-CD1 3.94Å; L1066-L1070 HydrophobicContact CG-CG 4.4Å; L1066-L1070 WeakPolarHBondContact O-CG 3.49Å; L1066-L1070 PolarHBondContact O-N 2.98Å; R1068-L1070 VanDerWaalsContact C-N 3.3Å; R1068-L1070 PolarHBondContact O-N 3.33Å; L1070-V1072 VanDerWaalsContact C-N 3.33Å; L1070-V1072 PolarHBondContact O-N 3.39Å; L1070-G1074 WeakPolarHBondContact O-CA 3.49Å; L1070-G1074 PolarHBondContact O-N 3.02Å; L1070-H1075 PolarHBondContact O-N 3.07Å; L1070-H1075 VanDerWaalsContact O-N 3.11Å; L1070-Y1153 HydrophobicContact CB-CE2 4.23Å; L1070-Y1153 VanDerWaalsContact O-CE2 3.32Å; L1070-Y1153 WeakPolarHBondContact O-CE2 3.48Å |
| 1071 | L | 94.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.01 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -68.2 | -30.3 | -169.7 | -58.7 | -178.6 | 0 | 0 | 0 | 113.4 | A876 A880 Q1067 H1075 P1150 Y1153 | A876-L1071 HydrophobicContact CB-CD1 4.3Å; A880-L1071 HydrophobicContact CB-CD2 3.73Å; Q1067-L1071 HydrophobicContact CG-CD1 3.65Å; Q1067-L1071 HydrophobicContact CG-CG 4.41Å; Q1067-L1071 VanDerWaalsContact O-CB 3.24Å; Q1067-L1071 WeakPolarHBondContact O-CB 3.3Å; Q1067-L1071 VanDerWaalsContact O-CG 3.24Å; Q1067-L1071 WeakPolarHBondContact O-CG 3.21Å; Q1067-L1071 PolarHBondContact O-N 2.98Å; L1071-H1075 WeakPolarHBondContact O-CB 3.35Å; L1071-P1150 HydrophobicContact CD1-CB 3.73Å; L1071-P1150 HydrophobicContact CD1-CG 3.94Å; L1071-P1150 HydrophobicContact CD2-CB 4.22Å; L1071-Y1153 HydrophobicContact CD2-CD2 4.1Å; L1071-Y1153 HydrophobicContact CD2-CG 3.96Å |
| 1072 | V | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -99.7 | -69.5 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | R1068 L1070 W1076 D1143 L1146 M1147 | R1068-V1072 HydrophobicContact CG-CB 4.31Å; R1068-V1072 HydrophobicContact CG-CG2 4.22Å; R1068-V1072 WeakPolarHBondContact O-CB 3.21Å; R1068-V1072 PolarHBondContact O-N 3.22Å; L1070-V1072 VanDerWaalsContact C-N 3.33Å; L1070-V1072 PolarHBondContact O-N 3.39Å; V1072-W1076 HydrophobicContact CG1-CD2 4.01Å; V1072-W1076 HydrophobicContact CG1-CE3 3.7Å; V1072-W1076 HydrophobicContact CG1-CH2 3.62Å; V1072-W1076 HydrophobicContact CG1-CZ2 3.89Å; V1072-W1076 HydrophobicContact CG1-CZ3 3.5Å; V1072-W1076 VanDerWaalsContact CG1-CZ3 3.5Å; V1072-W1076 WeakPolarHBondContact O-CB 3.36Å; V1072-W1076 PolarHBondContact O-N 3.5Å; V1072-D1143 HydrophobicContact CG1-CB 3.65Å; V1072-D1143 HydrophobicContact CG2-CB 4.1Å; V1072-L1146 HydrophobicContact CG2-CB 4.19Å; V1072-M1147 HydrophobicContact CG2-CG 3.76Å; V1072-M1147 HydrophobicContact CG2-SD 3.81Å |
| 1073 | H | 95.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 10.9 Ų | 10.9 | 4% | 0.042 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -68.8 | -44.7 | -171.5 | -74.2 | -77.3 | 0 | 0 | 0 | 112.5 | I371 D374 R1068 L1069 W1076 C1077 | I371-H1073 HydrophobicContact CD1-CB 4.28Å; I371-H1073 HydrophobicContact CG1-CB 3.95Å; D374-H1073 IonicContact OD2-CD2 3.25Å; D374-H1073 IonicContact OD2-CE1 2.64Å; D374-H1073 IonicContact OD2-NE2 2.67Å; D374-H1073 PolarHBondContact OD2-NE2 2.96Å; R1068-H1073 PolarHBondContact O-N 3.47Å; L1069-H1073 WeakPolarHBondContact O-CB 3.48Å; H1073-W1076 PolarHBondContact O-N 3.34Å; H1073-C1077 WeakPolarHBondContact O-CB 3.37Å; H1073-C1077 PolarHBondContact O-N 3.29Å; H1073-C1077 PolarHBondContact O-SG 3.22Å |
| 1074 | G | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -59.4 | -52.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L397 G398 L1069 L1070 W1076 C1077 Y1078 | L397-G1074 VanDerWaalsContact C-CA 3.41Å; L397-G1074 WeakPolarHBondContact O-CA 3.43Å; G398-G1074 WeakPolarHBondContact CA-O 3.4Å; G398-G1074 PolarHBondContact N-O 2.86Å; L1069-G1074 PolarHBondContact O-N 2.9Å; L1070-G1074 WeakPolarHBondContact O-CA 3.49Å; L1070-G1074 PolarHBondContact O-N 3.02Å; G1074-W1076 VanDerWaalsContact C-N 3.34Å; G1074-W1076 PolarHBondContact O-N 3.43Å; G1074-C1077 PolarHBondContact O-N 3.23Å; G1074-Y1078 PolarHBondContact O-N 3.23Å |
| 1075 | H | 92.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -52.8 | -49.7 | 174.2 | 170.1 | 74.8 | 0 | 0 | 0 | 111.9 | L1070 L1071 N1079 D1140 Y1153 | L1070-H1075 PolarHBondContact O-N 3.07Å; L1070-H1075 VanDerWaalsContact O-N 3.11Å; L1071-H1075 WeakPolarHBondContact O-CB 3.35Å; H1075-N1079 WeakPolarHBondContact O-CB 3.35Å; H1075-N1079 PolarHBondContact O-N 3.42Å; H1075-D1140 IonicContact CD2-OD1 2.65Å; H1075-D1140 IonicContact CE1-OD1 3.44Å; H1075-D1140 IonicContact CE1-OD2 2.75Å; H1075-D1140 IonicContact NE2-OD1 2.71Å; H1075-D1140 PolarHBondContact NE2-OD1 3.41Å; H1075-D1140 IonicContact NE2-OD2 3.73Å; H1075-D1140 PolarHBondContact NE2-OD2 3.41Å; H1075-D1140 VanDerWaalsContact NE2-OD2 3.08Å; H1075-Y1153 HydrophobicContact CB-CD2 4.39Å |
| 1076 | W | 93.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 8.1 Ų | 8.1 | 8% | 0.08 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 177.7 | -74.6 | -20.5 | 0 | 0 | 0 | 112.6 | V1072 H1073 G1074 Y1078 N1079 R1080 E1139 I1141 D1143 | V1072-W1076 HydrophobicContact CG1-CD2 4.01Å; V1072-W1076 HydrophobicContact CG1-CE3 3.7Å; V1072-W1076 HydrophobicContact CG1-CH2 3.62Å; V1072-W1076 HydrophobicContact CG1-CZ2 3.89Å; V1072-W1076 HydrophobicContact CG1-CZ3 3.5Å; V1072-W1076 VanDerWaalsContact CG1-CZ3 3.5Å; V1072-W1076 WeakPolarHBondContact O-CB 3.36Å; V1072-W1076 PolarHBondContact O-N 3.5Å; H1073-W1076 PolarHBondContact O-N 3.34Å; G1074-W1076 VanDerWaalsContact C-N 3.34Å; G1074-W1076 PolarHBondContact O-N 3.43Å; W1076-Y1078 VanDerWaalsContact C-N 3.34Å; W1076-Y1078 PolarHBondContact O-N 2.98Å; W1076-N1079 PolarHBondContact O-N 2.72Å; W1076-R1080 WeakPolarHBondContact O-CB 3.28Å; W1076-R1080 WeakPolarHBondContact O-CD 3.28Å; W1076-R1080 WeakPolarHBondContact O-CG 3.38Å; W1076-R1080 PolarHBondContact O-N 3.24Å; W1076-E1139 HydrophobicContact CH2-CG 4.27Å; W1076-E1139 HydrophobicContact CZ2-CG 3.82Å; W1076-I1141 PolarHBondContact NE1-O 3.13Å; W1076-D1143 HydrophobicContact CH2-CB 3.89Å; W1076-D1143 HydrophobicContact CZ2-CB 4.07Å |
| 1077 | C | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | -178.3 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | P394 H1073 G1074 L1081 | P394-C1077 HydrophobicContact CB-CB 4.4Å; P394-C1077 WeakPolarHBondContact O-CB 3.41Å; H1073-C1077 WeakPolarHBondContact O-CB 3.37Å; H1073-C1077 PolarHBondContact O-N 3.29Å; H1073-C1077 PolarHBondContact O-SG 3.22Å; G1074-C1077 PolarHBondContact O-N 3.23Å; C1077-L1081 VanDerWaalsContact O-CB 3.27Å; C1077-L1081 WeakPolarHBondContact O-CB 3.47Å; C1077-L1081 PolarHBondContact O-N 3.48Å; C1077-L1081 VanDerWaalsContact O-N 3.09Å |
| 1078 | Y | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -64.7 | -51.8 | 173.4 | 177.3 | -103.4 | 0 | 0 | 0 | 112.5 | L281 Q399 G1074 W1076 R1080 L1081 A1082 I1161 F1162 | L281-Y1078 HydrophobicContact CD1-CE2 4.35Å; L281-Y1078 HydrophobicContact CD2-CD2 4.35Å; L281-Y1078 HydrophobicContact CD2-CE2 4.3Å; Q399-Y1078 VanDerWaalsContact CD-CD2 3.5Å; Q399-Y1078 HydrophobicContact CG-CD2 3.57Å; Q399-Y1078 HydrophobicContact CG-CE2 3.89Å; Q399-Y1078 HydrophobicContact CG-CG 3.97Å; G1074-Y1078 PolarHBondContact O-N 3.23Å; W1076-Y1078 VanDerWaalsContact C-N 3.34Å; W1076-Y1078 PolarHBondContact O-N 2.98Å; Y1078-R1080 PolarHBondContact O-N 2.66Å; Y1078-L1081 PolarHBondContact O-N 3.45Å; Y1078-A1082 HydrophobicContact CE1-CB 4.3Å; Y1078-A1082 HydrophobicContact CE2-CB 4.13Å; Y1078-A1082 WeakPolarHBondContact O-CB 3.41Å; Y1078-A1082 PolarHBondContact O-N 2.71Å; Y1078-I1161 HydrophobicContact CD1-CD1 4.03Å; Y1078-I1161 HydrophobicContact CE1-CB 3.98Å; Y1078-I1161 HydrophobicContact CE1-CD1 3.81Å; Y1078-I1161 HydrophobicContact CE1-CG1 4.03Å; Y1078-F1162 PolarHBondContact OH-N 2.98Å |
| 1079 | N | 90.7 | Very high | 94 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | -178.2 | 167.6 | 80.8 | 0 | 0 | 0 | 112.2 | H1075 W1076 R1083 I1161 | H1075-N1079 WeakPolarHBondContact O-CB 3.35Å; H1075-N1079 PolarHBondContact O-N 3.42Å; W1076-N1079 PolarHBondContact O-N 2.72Å; N1079-R1083 WeakPolarHBondContact O-CB 3.21Å; N1079-R1083 WeakPolarHBondContact O-CG 3.32Å; N1079-R1083 PolarHBondContact O-N 2.94Å; N1079-R1083 PolarHBondContact OD1-NE 2.84Å; N1079-R1083 PolarHBondContact OD1-NH2 2.72Å; N1079-I1161 HydrophobicContact CB-CD1 3.76Å; N1079-I1161 WeakPolarHBondContact OD1-CD1 3.38Å |
| 1080 | R | 93.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 6.1 Ų | 6.1 | 3% | 0.026 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -57.9 | -57 | 174.5 | -74.7 | 165.8 | -176.8 | 166.1 | 4.8 | 110.9 | W1076 Y1078 R1083 L1084 G1135 I1136 E1138 | W1076-R1080 WeakPolarHBondContact O-CB 3.28Å; W1076-R1080 WeakPolarHBondContact O-CD 3.28Å; W1076-R1080 WeakPolarHBondContact O-CG 3.38Å; W1076-R1080 PolarHBondContact O-N 3.24Å; Y1078-R1080 PolarHBondContact O-N 2.66Å; R1080-R1083 PolarHBondContact O-N 3.29Å; R1080-L1084 VanDerWaalsContact O-CB 3.28Å; R1080-L1084 WeakPolarHBondContact O-CB 3.44Å; R1080-L1084 PolarHBondContact O-N 2.97Å; R1080-G1135 WeakPolarHBondContact CB-O 3.39Å; R1080-G1135 WeakPolarHBondContact CD-O 3.07Å; R1080-I1136 PolarHBondContact NE-O 3.38Å; R1080-I1136 PolarHBondContact NH1-O 3.26Å; R1080-E1138 HydrophobicContact CG-CB 4.36Å; R1080-E1138 PolarHBondContact NE-O 3Å; R1080-E1138 PolarHBondContact NH2-O 3.33Å |
| 1081 | L | 93.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -68.4 | -41.1 | -173.6 | -169.1 | 60 | 0 | 0 | 0 | 112.2 | L281 M360 V363 E395 C1077 Y1078 R1083 L1084 I1085 | L281-L1081 HydrophobicContact CD2-CB 4.24Å; L281-L1081 HydrophobicContact CD2-CD2 3.94Å; L281-L1081 HydrophobicContact CD2-CG 3.92Å; M360-L1081 HydrophobicContact CB-CD1 4.13Å; M360-L1081 HydrophobicContact CG-CD1 3.71Å; M360-L1081 HydrophobicContact SD-CD1 4.25Å; V363-L1081 HydrophobicContact CG1-CD1 4.43Å; E395-L1081 HydrophobicContact CB-CD2 3.82Å; E395-L1081 HydrophobicContact CG-CD2 3.87Å; C1077-L1081 VanDerWaalsContact O-CB 3.27Å; C1077-L1081 WeakPolarHBondContact O-CB 3.47Å; C1077-L1081 PolarHBondContact O-N 3.48Å; C1077-L1081 VanDerWaalsContact O-N 3.09Å; Y1078-L1081 PolarHBondContact O-N 3.45Å; L1081-R1083 PolarHBondContact O-N 3.34Å; L1081-L1084 HydrophobicContact CD1-CD2 4.22Å; L1081-L1084 WeakPolarHBondContact O-CB 3.34Å; L1081-L1084 PolarHBondContact O-N 3.2Å; L1081-I1085 HydrophobicContact CG-CD1 4.1Å; L1081-I1085 VanDerWaalsContact O-CD1 3.31Å; L1081-I1085 WeakPolarHBondContact O-CD1 3.24Å; L1081-I1085 VanDerWaalsContact O-CG1 3.23Å; L1081-I1085 WeakPolarHBondContact O-CG1 3.49Å; L1081-I1085 PolarHBondContact O-N 3.49Å |
| 1082 | A | 92.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1078 L1086 I1161 F1162 | Y1078-A1082 HydrophobicContact CE1-CB 4.3Å; Y1078-A1082 HydrophobicContact CE2-CB 4.13Å; Y1078-A1082 WeakPolarHBondContact O-CB 3.41Å; Y1078-A1082 PolarHBondContact O-N 2.71Å; A1082-L1086 PolarHBondContact O-N 2.86Å; A1082-I1161 HydrophobicContact CB-CB 4.07Å; A1082-I1161 HydrophobicContact CB-CG2 3.63Å; A1082-F1162 HydrophobicContact CB-CB 4.06Å |
| 1083 | R | 92.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 6 Ų | 6 | 19% | 0.189 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -71.7 | -40.9 | 174.4 | -71.6 | -175 | -162.5 | -158.5 | 14.9 | 112.1 | N1079 R1080 L1081 I1085 L1086 Y1087 F1134 I1161 E1218 | N1079-R1083 WeakPolarHBondContact O-CB 3.21Å; N1079-R1083 WeakPolarHBondContact O-CG 3.32Å; N1079-R1083 PolarHBondContact O-N 2.94Å; N1079-R1083 PolarHBondContact OD1-NE 2.84Å; N1079-R1083 PolarHBondContact OD1-NH2 2.72Å; R1080-R1083 PolarHBondContact O-N 3.29Å; L1081-R1083 PolarHBondContact O-N 3.34Å; R1083-I1085 VanDerWaalsContact C-N 3.32Å; R1083-I1085 PolarHBondContact O-N 3.13Å; R1083-L1086 PolarHBondContact O-N 3.47Å; R1083-Y1087 PolarHBondContact O-N 2.72Å; R1083-F1134 HydrophobicContact CB-CE1 3.69Å; R1083-F1134 HydrophobicContact CB-CZ 3.98Å; R1083-I1161 HydrophobicContact CG-CG2 3.98Å; R1083-E1218 PolarHBondContact NH1-O 2.94Å |
| 1084 | L | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -55.8 | -45.9 | 177.3 | 179.8 | 63.8 | 0 | 0 | 0 | 111.9 | T359 V363 R1080 L1081 Y1087 F1088 P1131 | T359-L1084 HydrophobicContact CG2-CD2 4.41Å; V363-L1084 HydrophobicContact CB-CD2 4.29Å; V363-L1084 HydrophobicContact CG1-CD2 4.25Å; V363-L1084 HydrophobicContact CG2-CD2 3.79Å; R1080-L1084 VanDerWaalsContact O-CB 3.28Å; R1080-L1084 WeakPolarHBondContact O-CB 3.44Å; R1080-L1084 PolarHBondContact O-N 2.97Å; L1081-L1084 HydrophobicContact CD1-CD2 4.22Å; L1081-L1084 WeakPolarHBondContact O-CB 3.34Å; L1081-L1084 PolarHBondContact O-N 3.2Å; L1084-Y1087 PolarHBondContact O-N 3.05Å; L1084-F1088 HydrophobicContact CD1-CD2 3.8Å; L1084-F1088 HydrophobicContact CD1-CE2 3.77Å; L1084-F1088 HydrophobicContact CG-CD2 4.1Å; L1084-F1088 HydrophobicContact CG-CE2 4.3Å; L1084-F1088 PolarHBondContact O-N 2.93Å; L1084-P1131 HydrophobicContact CD1-CB 3.55Å; L1084-P1131 WeakPolarHBondContact CD1-O 3.38Å |
| 1085 | I | 93.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 177.4 | -68.2 | 158.4 | 0 | 0 | 0 | 111 | L281 V285 L356 M360 L1081 R1083 Y1087 F1088 F1089 F1162 | L281-I1085 HydrophobicContact CD1-CD1 4.12Å; L281-I1085 HydrophobicContact CD2-CD1 3.75Å; L281-I1085 HydrophobicContact CG-CD1 3.84Å; V285-I1085 HydrophobicContact CG2-CD1 3.7Å; V285-I1085 HydrophobicContact CG2-CG1 4.3Å; V285-I1085 HydrophobicContact CG2-CG2 3.9Å; L356-I1085 HydrophobicContact CD1-CG1 4.18Å; L356-I1085 HydrophobicContact CD2-CG2 4.43Å; M360-I1085 HydrophobicContact CG-CG1 4.49Å; M360-I1085 HydrophobicContact SD-CD1 3.93Å; M360-I1085 HydrophobicContact SD-CG1 3.71Å; L1081-I1085 HydrophobicContact CG-CD1 4.1Å; L1081-I1085 VanDerWaalsContact O-CD1 3.31Å; L1081-I1085 WeakPolarHBondContact O-CD1 3.24Å; L1081-I1085 VanDerWaalsContact O-CG1 3.23Å; L1081-I1085 WeakPolarHBondContact O-CG1 3.49Å; L1081-I1085 PolarHBondContact O-N 3.49Å; R1083-I1085 VanDerWaalsContact C-N 3.32Å; R1083-I1085 PolarHBondContact O-N 3.13Å; I1085-Y1087 VanDerWaalsContact C-N 3.34Å; I1085-Y1087 PolarHBondContact O-N 3.28Å; I1085-F1088 PolarHBondContact O-N 3Å; I1085-F1089 HydrophobicContact CG2-CD2 3.83Å; I1085-F1089 HydrophobicContact CG2-CE2 3.61Å; I1085-F1089 VanDerWaalsContact O-CD2 3.26Å; I1085-F1089 WeakPolarHBondContact O-CD2 3.28Å; I1085-F1089 PolarHBondContact O-N 3.06Å; I1085-F1089 VanDerWaalsContact O-N 3.1Å; I1085-F1162 HydrophobicContact CB-CD2 4.49Å; I1085-F1162 HydrophobicContact CB-CE2 4.2Å; I1085-F1162 HydrophobicContact CG2-CD2 4.17Å; I1085-F1162 HydrophobicContact CG2-CE2 3.45Å; I1085-F1162 VanDerWaalsContact CG2-CE2 3.45Å; I1085-F1162 HydrophobicContact CG2-CZ 3.94Å |
| 1086 | L | 93.1 | Very high | 94.1 | Very high | 22 Ų | 22 | 5.6 Ų | 5.6 | 12% | 0.115 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 177.7 | -73.8 | 167.1 | 0 | 0 | 0 | 111.7 | A1082 R1083 F1088 F1089 Y1090 F1162 F1167 | A1082-L1086 PolarHBondContact O-N 2.86Å; R1083-L1086 PolarHBondContact O-N 3.47Å; L1086-F1088 VanDerWaalsContact C-N 3.35Å; L1086-F1088 PolarHBondContact O-N 2.85Å; L1086-F1089 PolarHBondContact O-N 3.43Å; L1086-Y1090 WeakPolarHBondContact O-CB 3.44Å; L1086-Y1090 PolarHBondContact O-N 2.88Å; L1086-F1162 HydrophobicContact CD1-CD2 4.27Å; L1086-F1162 HydrophobicContact CD2-CD2 3.99Å; L1086-F1162 HydrophobicContact CD2-CE2 3.75Å; L1086-F1162 HydrophobicContact CG-CD2 3.76Å; L1086-F1162 HydrophobicContact CG-CE2 3.87Å; L1086-F1167 HydrophobicContact CD2-CB 4.28Å; L1086-F1167 HydrophobicContact CD2-CD2 4.49Å |
| 1087 | Y | 94.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 5.4 Ų | 5.4 | 5% | 0.051 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.8 | 176.8 | -95.7 | 0 | 0 | 0 | 112.5 | R1083 L1084 I1085 Y1090 K1091 P1131 C1211 L1215 | R1083-Y1087 PolarHBondContact O-N 2.72Å; L1084-Y1087 PolarHBondContact O-N 3.05Å; I1085-Y1087 VanDerWaalsContact C-N 3.34Å; I1085-Y1087 PolarHBondContact O-N 3.28Å; Y1087-Y1090 AromaticContact CD2-CD1 3.88Å; Y1087-Y1090 HydrophobicContact CD2-CD1 3.88Å; Y1087-Y1090 HydrophobicContact CD2-CE1 4.43Å; Y1087-Y1090 AromaticContact CE2-CD1 3.91Å; Y1087-Y1090 HydrophobicContact CE2-CD1 3.91Å; Y1087-Y1090 HydrophobicContact CE2-CE1 4.07Å; Y1087-Y1090 WeakPolarHBondContact O-CB 3.4Å; Y1087-Y1090 PolarHBondContact O-N 3.09Å; Y1087-K1091 HydrophobicContact CE1-CB 4.46Å; Y1087-K1091 HydrophobicContact CE1-CD 3.95Å; Y1087-K1091 HydrophobicContact CE1-CG 4.12Å; Y1087-K1091 WeakPolarHBondContact O-CG 3.39Å; Y1087-K1091 PolarHBondContact O-N 3.36Å; Y1087-P1131 HydrophobicContact CD1-CB 4.18Å; Y1087-P1131 HydrophobicContact CD1-CG 3.96Å; Y1087-P1131 HydrophobicContact CE1-CB 4.2Å; Y1087-P1131 HydrophobicContact CE1-CG 3.48Å; Y1087-P1131 VanDerWaalsContact CE1-CG 3.48Å; Y1087-C1211 WeakPolarHBondContact CE2-O 3.31Å; Y1087-C1211 WeakPolarHBondContact OH-CB 3.36Å; Y1087-C1211 PolarHBondContact OH-O 2.65Å; Y1087-C1211 VanDerWaalsContact OH-O 3.1Å; Y1087-L1215 HydrophobicContact CD1-CD1 4.29Å; Y1087-L1215 HydrophobicContact CD2-CB 4.16Å; Y1087-L1215 HydrophobicContact CD2-CD1 3.97Å; Y1087-L1215 HydrophobicContact CE1-CD2 4.37Å; Y1087-L1215 HydrophobicContact CE2-CB 3.68Å; Y1087-L1215 HydrophobicContact CE2-CD1 4.29Å; Y1087-L1215 HydrophobicContact CE2-CG 4.45Å; Y1087-L1215 HydrophobicContact CG-CD1 3.96Å |
| 1088 | F | 94.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 0% | 0.004 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 177.6 | -103.7 | -89.5 | 0 | 0 | 0 | 113.2 | P353 L356 T359 L1084 I1085 L1086 N1092 P1131 | P353-F1088 HydrophobicContact CB-CD1 4.11Å; P353-F1088 HydrophobicContact CG-CB 4.48Å; L356-F1088 HydrophobicContact CB-CB 4.27Å; L356-F1088 HydrophobicContact CB-CD1 3.77Å; L356-F1088 HydrophobicContact CB-CE1 4.3Å; L356-F1088 HydrophobicContact CB-CG 4.06Å; L356-F1088 HydrophobicContact CD1-CB 3.73Å; L356-F1088 HydrophobicContact CD1-CD1 4.3Å; L356-F1088 HydrophobicContact CD1-CD2 3.89Å; L356-F1088 HydrophobicContact CD1-CG 3.72Å; L356-F1088 HydrophobicContact CD2-CB 4.29Å; L356-F1088 HydrophobicContact CG-CB 4.3Å; L356-F1088 HydrophobicContact CG-CG 4.39Å; T359-F1088 HydrophobicContact CG2-CE2 3.87Å; T359-F1088 HydrophobicContact CG2-CZ 3.97Å; T359-F1088 WeakPolarHBondContact OG1-CZ 3.3Å; L1084-F1088 HydrophobicContact CD1-CD2 3.8Å; L1084-F1088 HydrophobicContact CD1-CE2 3.77Å; L1084-F1088 HydrophobicContact CG-CD2 4.1Å; L1084-F1088 HydrophobicContact CG-CE2 4.3Å; L1084-F1088 PolarHBondContact O-N 2.93Å; I1085-F1088 PolarHBondContact O-N 3Å; L1086-F1088 VanDerWaalsContact C-N 3.35Å; L1086-F1088 PolarHBondContact O-N 2.85Å; F1088-N1092 PolarHBondContact O-N 3.29Å; F1088-N1092 PolarHBondContact O-ND2 3.3Å; F1088-P1131 HydrophobicContact CD2-CB 4.44Å; F1088-P1131 HydrophobicContact CE2-CB 3.78Å |
| 1089 | F | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 172.1 | -76.8 | -67.6 | 0 | 0 | 0 | 111.5 | V285 I289 P353 L356 I1085 L1086 N1092 S1093 F1167 | V285-F1089 HydrophobicContact CG1-CE2 4.33Å; V285-F1089 HydrophobicContact CG1-CZ 4.26Å; I289-F1089 HydrophobicContact CD1-CZ 4.49Å; I289-F1089 HydrophobicContact CG1-CE1 4.13Å; I289-F1089 HydrophobicContact CG1-CZ 3.78Å; P353-F1089 HydrophobicContact CG-CE1 4.5Å; L356-F1089 HydrophobicContact CD2-CE2 4.18Å; L356-F1089 HydrophobicContact CD2-CZ 4.34Å; I1085-F1089 HydrophobicContact CG2-CD2 3.83Å; I1085-F1089 HydrophobicContact CG2-CE2 3.61Å; I1085-F1089 VanDerWaalsContact O-CD2 3.26Å; I1085-F1089 WeakPolarHBondContact O-CD2 3.28Å; I1085-F1089 PolarHBondContact O-N 3.06Å; I1085-F1089 VanDerWaalsContact O-N 3.1Å; L1086-F1089 PolarHBondContact O-N 3.43Å; F1089-N1092 PolarHBondContact O-N 2.89Å; F1089-S1093 VanDerWaalsContact O-CB 3.3Å; F1089-S1093 WeakPolarHBondContact O-CB 3.19Å; F1089-S1093 PolarHBondContact O-N 3.35Å; F1089-S1093 PolarHBondContact O-OG 2.9Å; F1089-F1167 HydrophobicContact CB-CE2 4.05Å; F1089-F1167 HydrophobicContact CD1-CE2 4Å; F1089-F1167 HydrophobicContact CD2-CD2 4.25Å; F1089-F1167 AromaticContact CD2-CE2 3.74Å; F1089-F1167 HydrophobicContact CD2-CE2 3.74Å; F1089-F1167 HydrophobicContact CE1-CE2 4.38Å; F1089-F1167 HydrophobicContact CE2-CE2 4.13Å; F1089-F1167 HydrophobicContact CG-CD2 4.49Å; F1089-F1167 AromaticContact CG-CE2 3.67Å; F1089-F1167 HydrophobicContact CG-CE2 3.67Å; F1089-F1167 HydrophobicContact CZ-CE2 4.44Å |
| 1090 | Y | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -51.2 | -61.9 | 174.6 | 160.7 | -99.5 | 0 | 0 | 0 | 111.9 | L1086 Y1087 N1092 S1093 V1094 A1174 Q1177 H1214 | L1086-Y1090 WeakPolarHBondContact O-CB 3.44Å; L1086-Y1090 PolarHBondContact O-N 2.88Å; Y1087-Y1090 AromaticContact CD2-CD1 3.88Å; Y1087-Y1090 HydrophobicContact CD2-CD1 3.88Å; Y1087-Y1090 HydrophobicContact CD2-CE1 4.43Å; Y1087-Y1090 AromaticContact CE2-CD1 3.91Å; Y1087-Y1090 HydrophobicContact CE2-CD1 3.91Å; Y1087-Y1090 HydrophobicContact CE2-CE1 4.07Å; Y1087-Y1090 WeakPolarHBondContact O-CB 3.4Å; Y1087-Y1090 PolarHBondContact O-N 3.09Å; Y1090-N1092 PolarHBondContact O-N 2.88Å; Y1090-N1092 VanDerWaalsContact O-N 3.15Å; Y1090-S1093 PolarHBondContact O-N 3.34Å; Y1090-V1094 HydrophobicContact CD2-CG2 4.04Å; Y1090-V1094 HydrophobicContact CE1-CG2 4.45Å; Y1090-V1094 HydrophobicContact CE2-CG2 3.56Å; Y1090-V1094 WeakPolarHBondContact O-CG2 3.43Å; Y1090-V1094 PolarHBondContact O-N 3.14Å; Y1090-A1174 HydrophobicContact CD2-CB 3.96Å; Y1090-A1174 HydrophobicContact CE2-CB 4.42Å; Y1090-Q1177 PolarHBondContact OH-OE1 2.93Å; Y1090-H1214 AromaticContact CD2-CE1 3.79Å; Y1090-H1214 HydrophobicContact CE1-CB 3.84Å; Y1090-H1214 AromaticContact CE1-CG 3.63Å; Y1090-H1214 AromaticContact CE1-ND1 3.51Å; Y1090-H1214 AromaticContact CE2-CE1 3.5Å; Y1090-H1214 VanDerWaalsContact CE2-CE1 3.5Å; Y1090-H1214 WeakPolarHBondContact CE2-CE1 3.49Å; Y1090-H1214 AromaticContact CE2-ND1 3.37Å; Y1090-H1214 WeakPolarHBondContact CE2-ND1 3.48Å; Y1090-H1214 AromaticContact CZ-CE1 3.65Å; Y1090-H1214 AromaticContact CZ-CG 3.66Å; Y1090-H1214 AromaticContact CZ-ND1 3.06Å; Y1090-H1214 PolarHBondContact OH-ND1 2.97Å; Y1090-H1214 VanDerWaalsContact OH-ND1 3.16Å |
| 1091 | K | 94.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.5 | -30.1 | -171.9 | 62 | 153.4 | 174.4 | 152.5 | 0 | 113.5 | Y1087 F1122 N1123 T1127 C1211 | Y1087-K1091 HydrophobicContact CE1-CB 4.46Å; Y1087-K1091 HydrophobicContact CE1-CD 3.95Å; Y1087-K1091 HydrophobicContact CE1-CG 4.12Å; Y1087-K1091 WeakPolarHBondContact O-CG 3.39Å; Y1087-K1091 PolarHBondContact O-N 3.36Å; K1091-F1122 HydrophobicContact CB-CE1 4.25Å; K1091-F1122 HydrophobicContact CB-CZ 4.2Å; K1091-F1122 HydrophobicContact CD-CE1 4.03Å; K1091-F1122 HydrophobicContact CD-CZ 4.36Å; K1091-F1122 HydrophobicContact CG-CE1 4.45Å; K1091-N1123 PolarHBondContact NZ-OD1 3.33Å; K1091-T1127 HydrophobicContact CD-CG2 4.48Å; K1091-T1127 PolarHBondContact NZ-OG1 3.41Å; K1091-C1211 HydrophobicContact CB-CB 4.36Å |
| 1092 | N | 94.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -79.5 | -36.3 | 176.6 | -76.4 | -80.1 | 0 | 0 | 0 | 112 | I350 F1088 F1089 Y1090 M1095 V1096 N1123 | I350-N1092 WeakPolarHBondContact O-CB 3.48Å; I350-N1092 PolarHBondContact O-OD1 3.37Å; F1088-N1092 PolarHBondContact O-N 3.29Å; F1088-N1092 PolarHBondContact O-ND2 3.3Å; F1089-N1092 PolarHBondContact O-N 2.89Å; Y1090-N1092 PolarHBondContact O-N 2.88Å; Y1090-N1092 VanDerWaalsContact O-N 3.15Å; N1092-M1095 PolarHBondContact O-N 3.45Å; N1092-V1096 WeakPolarHBondContact O-CG2 3.4Å; N1092-V1096 PolarHBondContact O-N 3.44Å; N1092-N1123 PolarHBondContact ND2-OD1 2.96Å; N1092-N1123 PolarHBondContact OD1-ND2 3.32Å; N1092-N1123 PolarHBondContact OD1-OD1 3.16Å |
| 1093 | S | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 174.4 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | F1089 Y1090 M1095 V1096 F1097 I1171 | F1089-S1093 VanDerWaalsContact O-CB 3.3Å; F1089-S1093 WeakPolarHBondContact O-CB 3.19Å; F1089-S1093 PolarHBondContact O-N 3.35Å; F1089-S1093 PolarHBondContact O-OG 2.9Å; Y1090-S1093 PolarHBondContact O-N 3.34Å; S1093-M1095 VanDerWaalsContact C-N 3.34Å; S1093-M1095 PolarHBondContact O-N 2.97Å; S1093-V1096 PolarHBondContact O-N 3.29Å; S1093-F1097 WeakPolarHBondContact O-CB 3.28Å; S1093-F1097 WeakPolarHBondContact O-CD2 3.3Å; S1093-F1097 WeakPolarHBondContact O-CG 3.3Å; S1093-F1097 PolarHBondContact O-N 3.1Å; S1093-I1171 VanDerWaalsContact OG-CD1 3.27Å; S1093-I1171 WeakPolarHBondContact OG-CD1 3.45Å |
| 1094 | V | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | Y1090 V1096 F1097 L1098 A1174 A1178 I1181 L1207 | Y1090-V1094 HydrophobicContact CD2-CG2 4.04Å; Y1090-V1094 HydrophobicContact CE1-CG2 4.45Å; Y1090-V1094 HydrophobicContact CE2-CG2 3.56Å; Y1090-V1094 WeakPolarHBondContact O-CG2 3.43Å; Y1090-V1094 PolarHBondContact O-N 3.14Å; V1094-V1096 PolarHBondContact O-N 3.32Å; V1094-F1097 PolarHBondContact O-N 3.04Å; V1094-L1098 VanDerWaalsContact O-CB 3.31Å; V1094-L1098 WeakPolarHBondContact O-CB 3.26Å; V1094-L1098 PolarHBondContact O-N 3.49Å; V1094-A1174 HydrophobicContact CG2-CB 3.72Å; V1094-A1178 HydrophobicContact CG1-CB 4.06Å; V1094-A1178 WeakPolarHBondContact O-CB 3.48Å; V1094-I1181 HydrophobicContact CG1-CD1 4.45Å; V1094-L1207 HydrophobicContact CB-CD1 3.81Å; V1094-L1207 HydrophobicContact CG1-CD1 3.46Å; V1094-L1207 VanDerWaalsContact CG1-CD1 3.46Å |
| 1095 | M | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.6 | -170.7 | 157.6 | 63.8 | 0 | 0 | 112.5 | I350 N1092 S1093 M1099 I1114 Q1119 F1122 M1204 L1207 | I350-M1095 HydrophobicContact CB-CE 4.41Å; I350-M1095 HydrophobicContact CD1-CB 4.25Å; I350-M1095 HydrophobicContact CD1-CE 3.6Å; I350-M1095 HydrophobicContact CD1-CG 3.78Å; I350-M1095 HydrophobicContact CD1-SD 4.33Å; I350-M1095 HydrophobicContact CG2-CE 4.47Å; N1092-M1095 PolarHBondContact O-N 3.45Å; S1093-M1095 VanDerWaalsContact C-N 3.34Å; S1093-M1095 PolarHBondContact O-N 2.97Å; M1095-M1099 HydrophobicContact CG-CE 4.06Å; M1095-M1099 WeakPolarHBondContact O-CG 3.4Å; M1095-M1099 PolarHBondContact O-N 3.16Å; M1095-I1114 HydrophobicContact CG-CD1 3.84Å; M1095-I1114 HydrophobicContact SD-CD1 4.17Å; M1095-Q1119 HydrophobicContact CE-CG 4.41Å; M1095-F1122 HydrophobicContact CE-CB 4.26Å; M1095-F1122 HydrophobicContact CE-CD1 3.48Å; M1095-F1122 VanDerWaalsContact CE-CD1 3.48Å; M1095-F1122 HydrophobicContact CE-CE1 4.14Å; M1095-F1122 HydrophobicContact CE-CG 4.14Å; M1095-F1122 HydrophobicContact SD-CB 4.13Å; M1095-F1122 HydrophobicContact SD-CD1 3.76Å; M1095-F1122 HydrophobicContact SD-CE1 4.31Å; M1095-F1122 HydrophobicContact SD-CG 3.95Å; M1095-M1204 HydrophobicContact SD-CE 4.17Å; M1095-L1207 HydrophobicContact CB-CD1 4.45Å; M1095-L1207 HydrophobicContact CB-CD2 3.86Å; M1095-L1207 HydrophobicContact CG-CD2 3.82Å; M1095-L1207 HydrophobicContact SD-CD2 3.89Å |
| 1096 | V | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.6 | -46.6 | 178 | 170 | 0 | 0 | 0 | 0 | 112.3 | L299 F348 I350 M351 N1092 S1093 V1094 L1098 M1099 F1100 | L299-V1096 HydrophobicContact CD1-CG1 4.05Å; F348-V1096 HydrophobicContact CB-CG1 4.03Å; F348-V1096 HydrophobicContact CD1-CG1 4Å; F348-V1096 HydrophobicContact CG-CG1 4.13Å; I350-V1096 HydrophobicContact CD1-CG2 3.58Å; I350-V1096 HydrophobicContact CG1-CG2 3.53Å; M351-V1096 HydrophobicContact CB-CB 4.46Å; M351-V1096 HydrophobicContact CB-CG1 4.4Å; M351-V1096 HydrophobicContact CB-CG2 3.79Å; M351-V1096 HydrophobicContact CG-CB 4.3Å; M351-V1096 HydrophobicContact CG-CG1 4.28Å; M351-V1096 HydrophobicContact CG-CG2 4.1Å; M351-V1096 HydrophobicContact SD-CB 4.47Å; M351-V1096 HydrophobicContact SD-CG1 3.91Å; N1092-V1096 WeakPolarHBondContact O-CG2 3.4Å; N1092-V1096 PolarHBondContact O-N 3.44Å; S1093-V1096 PolarHBondContact O-N 3.29Å; V1094-V1096 PolarHBondContact O-N 3.32Å; V1096-L1098 VanDerWaalsContact C-N 3.25Å; V1096-L1098 PolarHBondContact O-N 3.47Å; V1096-M1099 PolarHBondContact O-N 3.1Å; V1096-F1100 WeakPolarHBondContact O-CB 3.25Å; V1096-F1100 PolarHBondContact O-N 3.45Å |
| 1097 | F | 97.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 19 Ų | 19 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -33.6 | 177.9 | -72 | -54.8 | 0 | 0 | 0 | 111.7 | L299 S1093 V1094 F1100 F1101 I1171 A1174 S1175 A1178 | L299-F1097 HydrophobicContact CD1-CE1 4.23Å; L299-F1097 HydrophobicContact CD2-CE1 4.45Å; S1093-F1097 WeakPolarHBondContact O-CB 3.28Å; S1093-F1097 WeakPolarHBondContact O-CD2 3.3Å; S1093-F1097 WeakPolarHBondContact O-CG 3.3Å; S1093-F1097 PolarHBondContact O-N 3.1Å; V1094-F1097 PolarHBondContact O-N 3.04Å; F1097-F1100 PolarHBondContact O-N 3.05Å; F1097-F1101 HydrophobicContact CB-CD2 4.48Å; F1097-F1101 HydrophobicContact CB-CE2 4.02Å; F1097-F1101 WeakPolarHBondContact O-CD2 3.46Å; F1097-F1101 WeakPolarHBondContact O-CG 3.4Å; F1097-F1101 PolarHBondContact O-N 3.05Å; F1097-I1171 HydrophobicContact CE2-CG2 3.85Å; F1097-I1171 HydrophobicContact CZ-CG2 3.84Å; F1097-A1174 HydrophobicContact CD2-CB 4.46Å; F1097-S1175 VanDerWaalsContact CD2-CA 3.46Å; F1097-A1178 HydrophobicContact CB-CB 3.48Å; F1097-A1178 VanDerWaalsContact CB-CB 3.48Å |
| 1098 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 173.8 | -166.9 | 84.5 | 0 | 0 | 0 | 111.8 | V1094 V1096 F1100 F1102 I1114 A1178 I1181 F1182 | V1094-L1098 VanDerWaalsContact O-CB 3.31Å; V1094-L1098 WeakPolarHBondContact O-CB 3.26Å; V1094-L1098 PolarHBondContact O-N 3.49Å; V1096-L1098 VanDerWaalsContact C-N 3.25Å; V1096-L1098 PolarHBondContact O-N 3.47Å; L1098-F1100 VanDerWaalsContact C-N 3.3Å; L1098-F1100 PolarHBondContact O-N 3.24Å; L1098-F1102 PolarHBondContact O-N 2.98Å; L1098-I1114 HydrophobicContact CD2-CD1 3.95Å; L1098-I1114 HydrophobicContact CD2-CG1 4.37Å; L1098-A1178 HydrophobicContact CB-CB 4.36Å; L1098-A1178 WeakPolarHBondContact CD1-O 3.48Å; L1098-I1181 HydrophobicContact CD1-CB 4.02Å; L1098-I1181 HydrophobicContact CD1-CG2 3.74Å; L1098-F1182 HydrophobicContact CD1-CB 3.89Å |
| 1099 | M | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -34.4 | 174.5 | -69.4 | 170.3 | 174.1 | 0 | 0 | 112.4 | L347 F348 I350 M1095 V1096 Q1103 I1113 I1114 Q1119 | L347-M1099 HydrophobicContact CD1-SD 4.08Å; L347-M1099 HydrophobicContact CG-SD 4.47Å; F348-M1099 HydrophobicContact CD1-CB 4.34Å; F348-M1099 HydrophobicContact CE1-CB 3.99Å; I350-M1099 HydrophobicContact CD1-CE 4.17Å; I350-M1099 HydrophobicContact CD1-SD 3.81Å; M1095-M1099 HydrophobicContact CG-CE 4.06Å; M1095-M1099 WeakPolarHBondContact O-CG 3.4Å; M1095-M1099 PolarHBondContact O-N 3.16Å; V1096-M1099 PolarHBondContact O-N 3.1Å; M1099-Q1103 WeakPolarHBondContact O-CG 3.47Å; M1099-Q1103 PolarHBondContact O-NE2 3.18Å; M1099-I1113 HydrophobicContact CG-CG2 4.49Å; M1099-I1114 HydrophobicContact CE-CB 3.82Å; M1099-I1114 HydrophobicContact CE-CD1 3.94Å; M1099-I1114 HydrophobicContact CE-CG1 3.95Å; M1099-Q1119 HydrophobicContact CE-CB 4.39Å; M1099-Q1119 HydrophobicContact CE-CG 3.88Å |
| 1100 | F | 96.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 24 Ų | 24 | 16% | 0.158 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.4 | -46.1 | 178.3 | 171.6 | -102.5 | 0 | 0 | 0 | 112.5 | L299 I302 V303 F348 V1096 F1097 L1098 F1102 Q1103 | L299-F1100 HydrophobicContact CB-CD2 4.15Å; L299-F1100 HydrophobicContact CB-CE2 4.28Å; L299-F1100 HydrophobicContact CD2-CD1 4.1Å; L299-F1100 HydrophobicContact CD2-CD2 3.74Å; L299-F1100 HydrophobicContact CD2-CE1 4Å; L299-F1100 HydrophobicContact CD2-CE2 3.64Å; L299-F1100 HydrophobicContact CD2-CG 3.97Å; L299-F1100 HydrophobicContact CD2-CZ 3.76Å; L299-F1100 HydrophobicContact CG-CD2 4.38Å; I302-F1100 HydrophobicContact CB-CE2 4.16Å; I302-F1100 HydrophobicContact CB-CZ 4.41Å; I302-F1100 HydrophobicContact CD1-CZ 4.22Å; I302-F1100 HydrophobicContact CG2-CE2 3.89Å; I302-F1100 HydrophobicContact CG2-CZ 3.89Å; V303-F1100 HydrophobicContact CG2-CD2 4.41Å; V303-F1100 HydrophobicContact CG2-CE2 4.5Å; F348-F1100 HydrophobicContact CE1-CB 3.99Å; F348-F1100 HydrophobicContact CE2-CD2 4.23Å; F348-F1100 HydrophobicContact CZ-CB 3.91Å; F348-F1100 AromaticContact CZ-CD2 3.95Å; F348-F1100 HydrophobicContact CZ-CD2 3.95Å; F348-F1100 HydrophobicContact CZ-CG 4.44Å; V1096-F1100 WeakPolarHBondContact O-CB 3.25Å; V1096-F1100 PolarHBondContact O-N 3.45Å; F1097-F1100 PolarHBondContact O-N 3.05Å; L1098-F1100 VanDerWaalsContact C-N 3.3Å; L1098-F1100 PolarHBondContact O-N 3.24Å; F1100-F1102 PolarHBondContact O-N 3.18Å; F1100-Q1103 VanDerWaalsContact O-CB 3.31Å; F1100-Q1103 WeakPolarHBondContact O-CB 3.44Å; F1100-Q1103 WeakPolarHBondContact O-CG 3.46Å; F1100-Q1103 PolarHBondContact O-N 3.47Å |
| 1101 | F | 95.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 28 Ų | 28 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.4 | -32.8 | 177.9 | -67.4 | -53.1 | 0 | 0 | 0 | 112.5 | F1097 Q1103 A1104 A1178 A1179 F1182 | F1097-F1101 HydrophobicContact CB-CD2 4.48Å; F1097-F1101 HydrophobicContact CB-CE2 4.02Å; F1097-F1101 WeakPolarHBondContact O-CD2 3.46Å; F1097-F1101 WeakPolarHBondContact O-CG 3.4Å; F1097-F1101 PolarHBondContact O-N 3.05Å; F1101-Q1103 PolarHBondContact O-N 3.01Å; F1101-A1104 PolarHBondContact O-N 3.34Å; F1101-A1178 HydrophobicContact CD2-CB 4.34Å; F1101-A1178 HydrophobicContact CE2-CB 4.1Å; F1101-A1179 HydrophobicContact CD2-CB 4.22Å; F1101-A1179 HydrophobicContact CE2-CB 3.65Å; F1101-A1179 HydrophobicContact CZ-CB 3.98Å; F1101-F1182 HydrophobicContact CB-CB 4.48Å; F1101-F1182 HydrophobicContact CB-CD1 3.82Å; F1101-F1182 HydrophobicContact CB-CD2 4.49Å; F1101-F1182 HydrophobicContact CB-CE1 4.21Å; F1101-F1182 HydrophobicContact CB-CG 3.98Å |
| 1102 | F | 95 | Very high | 92.8 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -23.7 | 172.2 | -179.9 | -113.5 | 0 | 0 | 0 | 114 | L1098 F1100 A1104 F1105 C1106 Q1111 I1113 F1182 | L1098-F1102 PolarHBondContact O-N 2.98Å; F1100-F1102 PolarHBondContact O-N 3.18Å; F1102-A1104 PolarHBondContact O-N 2.92Å; F1102-F1105 HydrophobicContact CD2-CB 4.25Å; F1102-F1105 WeakPolarHBondContact O-CA 3.45Å; F1102-F1105 WeakPolarHBondContact O-CB 3.27Å; F1102-F1105 PolarHBondContact O-N 2.72Å; F1102-C1106 HydrophobicContact CD1-CB 4.34Å; F1102-C1106 HydrophobicContact CE1-CB 3.8Å; F1102-C1106 HydrophobicContact CZ-CB 3.96Å; F1102-C1106 PolarHBondContact O-N 3.4Å; F1102-C1106 VanDerWaalsContact O-N 3.15Å; F1102-Q1111 WeakPolarHBondContact CD1-O 3.21Å; F1102-Q1111 HydrophobicContact CE1-CB 4.33Å; F1102-Q1111 HydrophobicContact CE1-CG 4.12Å; F1102-Q1111 WeakPolarHBondContact CE1-O 3.48Å; F1102-I1113 HydrophobicContact CB-CB 4.08Å; F1102-I1113 HydrophobicContact CB-CD1 4.33Å; F1102-I1113 HydrophobicContact CB-CG2 4.21Å; F1102-I1113 HydrophobicContact CD1-CB 3.75Å; F1102-I1113 HydrophobicContact CD2-CB 4.07Å; F1102-I1113 HydrophobicContact CD2-CD1 3.81Å; F1102-I1113 HydrophobicContact CD2-CG1 4.18Å; F1102-I1113 HydrophobicContact CE1-CB 4.12Å; F1102-I1113 HydrophobicContact CE2-CB 4.43Å; F1102-I1113 HydrophobicContact CE2-CD1 4.33Å; F1102-I1113 HydrophobicContact CE2-CG1 4.4Å; F1102-I1113 HydrophobicContact CG-CB 3.7Å; F1102-I1113 HydrophobicContact CG-CD1 4.14Å; F1102-I1113 HydrophobicContact CG-CG1 4.31Å; F1102-I1113 HydrophobicContact CG-CG2 4.38Å; F1102-I1113 HydrophobicContact CZ-CB 4.44Å; F1102-F1182 HydrophobicContact CB-CE2 3.83Å; F1102-F1182 HydrophobicContact CB-CZ 4.44Å; F1102-F1182 HydrophobicContact CD2-CE2 4.09Å; F1102-F1182 HydrophobicContact CG-CE2 4.47Å |
| 1103 | Q | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -28.6 | -178.8 | -59.4 | -50.1 | -59.8 | 0 | 0 | 113.2 | V303 F348 M1099 F1100 F1101 F1105 C1106 F1108 S1110 Q1111 | V303-Q1103 HydrophobicContact CG2-CB 4.22Å; V303-Q1103 HydrophobicContact CG2-CG 3.96Å; F348-Q1103 HydrophobicContact CZ-CG 4.07Å; M1099-Q1103 WeakPolarHBondContact O-CG 3.47Å; M1099-Q1103 PolarHBondContact O-NE2 3.18Å; F1100-Q1103 VanDerWaalsContact O-CB 3.31Å; F1100-Q1103 WeakPolarHBondContact O-CB 3.44Å; F1100-Q1103 WeakPolarHBondContact O-CG 3.46Å; F1100-Q1103 PolarHBondContact O-N 3.47Å; F1101-Q1103 PolarHBondContact O-N 3.01Å; Q1103-F1105 PolarHBondContact O-N 3.28Å; Q1103-C1106 PolarHBondContact OE1-SG 2.94Å; Q1103-F1108 HydrophobicContact CB-CD1 3.82Å; Q1103-F1108 HydrophobicContact CB-CE1 4.23Å; Q1103-F1108 WeakPolarHBondContact O-CA 3.23Å; Q1103-F1108 PolarHBondContact O-N 3.04Å; Q1103-S1110 VanDerWaalsContact OE1-N 3.14Å; Q1103-Q1111 PolarHBondContact NE2-O 3.42Å |
| 1104 | A | 91.4 | Very high | 92.5 | Very high | 64 Ų | 64 | 28.9 Ų | 28.9 | 53% | 0.529 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1101 F1102 F1108 | F1101-A1104 PolarHBondContact O-N 3.34Å; F1102-A1104 PolarHBondContact O-N 2.92Å; A1104-F1108 HydrophobicContact CB-CZ 4.34Å |
| 1105 | F | 89.8 | Confident | 92.1 | Very high | 133 Ų | 133 | 30.4 Ų | 30.4 | 58% | 0.583 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -29.1 | -178.5 | -73.7 | -108.4 | 0 | 0 | 0 | 112.4 | F1102 Q1103 F1182 T1186 | F1102-F1105 HydrophobicContact CD2-CB 4.25Å; F1102-F1105 WeakPolarHBondContact O-CA 3.45Å; F1102-F1105 WeakPolarHBondContact O-CB 3.27Å; F1102-F1105 PolarHBondContact O-N 2.72Å; Q1103-F1105 PolarHBondContact O-N 3.28Å; F1105-F1182 AromaticContact CD2-CE1 3.86Å; F1105-F1182 HydrophobicContact CD2-CE1 3.86Å; F1105-F1182 AromaticContact CD2-CZ 3.56Å; F1105-F1182 HydrophobicContact CD2-CZ 3.56Å; F1105-F1182 AromaticContact CE2-CE1 3.51Å; F1105-F1182 HydrophobicContact CE2-CE1 3.51Å; F1105-F1182 AromaticContact CE2-CZ 3.69Å; F1105-F1182 HydrophobicContact CE2-CZ 3.69Å; F1105-F1182 HydrophobicContact CG-CZ 4.08Å; F1105-F1182 HydrophobicContact CZ-CE1 4.07Å; F1105-F1182 HydrophobicContact CZ-CZ 4.28Å; F1105-T1186 HydrophobicContact CE1-CG2 4Å; F1105-T1186 HydrophobicContact CZ-CG2 4.41Å |
| 1106 | C | 88.3 | Confident | 91.6 | Very high | 27 Ų | 27 | 33 Ų | 33 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 19.5 | 177.2 | 70.9 | 0 | 0 | 0 | 0 | 114.3 | F1102 Q1103 F1108 S1109 Q1111 | F1102-C1106 HydrophobicContact CD1-CB 4.34Å; F1102-C1106 HydrophobicContact CE1-CB 3.8Å; F1102-C1106 HydrophobicContact CZ-CB 3.96Å; F1102-C1106 PolarHBondContact O-N 3.4Å; F1102-C1106 VanDerWaalsContact O-N 3.15Å; Q1103-C1106 PolarHBondContact OE1-SG 2.94Å; C1106-F1108 VanDerWaalsContact C-N 3.29Å; C1106-F1108 PolarHBondContact O-N 2.83Å; C1106-S1109 WeakPolarHBondContact O-CB 3.32Å; C1106-S1109 PolarHBondContact O-N 2.96Å; C1106-S1109 PolarHBondContact O-OG 3.23Å; C1106-S1109 PolarHBondContact SG-OG 3.16Å; C1106-Q1111 HydrophobicContact CB-CB 4.24Å |
| 1107 | G | 86.6 | Confident | 91.2 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 25.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1109 | G1107-S1109 PolarHBondContact O-N 3.04Š|
| 1108 | F | 90.8 | Very high | 90.9 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 20% | 0.197 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 29.9 | -175.6 | -55.5 | -82.9 | 0 | 0 | 0 | 114.5 | V303 G306 Q1103 A1104 C1106 S1110 | V303-F1108 HydrophobicContact CB-CD1 4.49Å; V303-F1108 HydrophobicContact CG1-CB 4.09Å; V303-F1108 HydrophobicContact CG1-CD1 4.4Å; V303-F1108 HydrophobicContact CG2-CD1 4.48Å; G306-F1108 VanDerWaalsContact CA-CD2 3.44Å; Q1103-F1108 HydrophobicContact CB-CD1 3.82Å; Q1103-F1108 HydrophobicContact CB-CE1 4.23Å; Q1103-F1108 WeakPolarHBondContact O-CA 3.23Å; Q1103-F1108 PolarHBondContact O-N 3.04Å; A1104-F1108 HydrophobicContact CB-CZ 4.34Å; C1106-F1108 VanDerWaalsContact C-N 3.29Å; C1106-F1108 PolarHBondContact O-N 2.83Å; F1108-S1110 PolarHBondContact O-N 2.98Å |
| 1109 | S | 87.9 | Confident | 90.5 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 39% | 0.392 | 19% | 0.194 | S | C | . | . | trans | -73 | 2.9 | 179 | 54.6 | 0 | 0 | 0 | 0 | 115.4 | C1106 G1107 Q1111 | C1106-S1109 WeakPolarHBondContact O-CB 3.32Å; C1106-S1109 PolarHBondContact O-N 2.96Å; C1106-S1109 PolarHBondContact O-OG 3.23Å; C1106-S1109 PolarHBondContact SG-OG 3.16Å; G1107-S1109 PolarHBondContact O-N 3.04Å; S1109-Q1111 PolarHBondContact O-N 2.89Å | ||
| 1110 | S | 89.5 | Confident | 90.1 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | trans | 61.1 | 15 | -170.7 | -53.8 | 0 | 0 | 0 | 0 | 114.8 | S344 Q1103 F1108 | S344-S1110 PolarHBondContact N-OG 2.98Å; Q1103-S1110 VanDerWaalsContact OE1-N 3.14Å; F1108-S1110 PolarHBondContact O-N 2.98Å | ||
| 1111 | Q | 88.3 | Confident | 89.8 | Confident | 84 Ų | 84 | 41.2 Ų | 41.2 | 39% | 0.393 | 23% | 0.226 | S | C | . | . | trans | -66 | 137.4 | 174.9 | -179.4 | 54.6 | 38.9 | 0 | 0 | 111.4 | F1102 Q1103 C1106 S1109 M1196 | F1102-Q1111 WeakPolarHBondContact CD1-O 3.21Å; F1102-Q1111 HydrophobicContact CE1-CB 4.33Å; F1102-Q1111 HydrophobicContact CE1-CG 4.12Å; F1102-Q1111 WeakPolarHBondContact CE1-O 3.48Å; Q1103-Q1111 PolarHBondContact NE2-O 3.42Å; C1106-Q1111 HydrophobicContact CB-CB 4.24Å; S1109-Q1111 PolarHBondContact O-N 2.89Å; Q1111-M1196 HydrophobicContact CG-SD 4.15Å | ||
| 1112 | A | 88.6 | Confident | 89.6 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | trans | -86 | 137.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L347 I1114 | L347-A1112 HydrophobicContact CD1-CB 3.72Å; A1112-I1114 VanDerWaalsContact C-N 3.35Å; A1112-I1114 WeakPolarHBondContact CB-O 3.49Å | ||
| 1113 | I | 92.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -79.7 | -18.1 | 167.1 | -167.4 | 168.9 | 0 | 0 | 0 | 112.7 | M1099 F1102 F1182 M1199 S1200 T1203 | M1099-I1113 HydrophobicContact CG-CG2 4.49Å; F1102-I1113 HydrophobicContact CB-CB 4.08Å; F1102-I1113 HydrophobicContact CB-CD1 4.33Å; F1102-I1113 HydrophobicContact CB-CG2 4.21Å; F1102-I1113 HydrophobicContact CD1-CB 3.75Å; F1102-I1113 HydrophobicContact CD2-CB 4.07Å; F1102-I1113 HydrophobicContact CD2-CD1 3.81Å; F1102-I1113 HydrophobicContact CD2-CG1 4.18Å; F1102-I1113 HydrophobicContact CE1-CB 4.12Å; F1102-I1113 HydrophobicContact CE2-CB 4.43Å; F1102-I1113 HydrophobicContact CE2-CD1 4.33Å; F1102-I1113 HydrophobicContact CE2-CG1 4.4Å; F1102-I1113 HydrophobicContact CG-CB 3.7Å; F1102-I1113 HydrophobicContact CG-CD1 4.14Å; F1102-I1113 HydrophobicContact CG-CG1 4.31Å; F1102-I1113 HydrophobicContact CG-CG2 4.38Å; F1102-I1113 HydrophobicContact CZ-CB 4.44Å; I1113-F1182 HydrophobicContact CD1-CD2 4.17Å; I1113-F1182 HydrophobicContact CD1-CE2 3.97Å; I1113-M1199 HydrophobicContact CD1-CE 4.45Å; I1113-S1200 VanDerWaalsContact O-CA 3.28Å; I1113-S1200 WeakPolarHBondContact O-CA 3.47Å; I1113-S1200 VanDerWaalsContact O-CB 3.24Å; I1113-S1200 WeakPolarHBondContact O-CB 3.48Å; I1113-T1203 HydrophobicContact CD1-CG2 4.19Å |
| 1114 | I | 91.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -106.6 | 130.9 | 178.2 | -49.2 | -168.8 | 0 | 0 | 0 | 109.1 | M1095 L1098 M1099 A1112 Q1119 S1200 M1204 L1207 | M1095-I1114 HydrophobicContact CG-CD1 3.84Å; M1095-I1114 HydrophobicContact SD-CD1 4.17Å; L1098-I1114 HydrophobicContact CD2-CD1 3.95Å; L1098-I1114 HydrophobicContact CD2-CG1 4.37Å; M1099-I1114 HydrophobicContact CE-CB 3.82Å; M1099-I1114 HydrophobicContact CE-CD1 3.94Å; M1099-I1114 HydrophobicContact CE-CG1 3.95Å; A1112-I1114 VanDerWaalsContact C-N 3.35Å; A1112-I1114 WeakPolarHBondContact CB-O 3.49Å; I1114-Q1119 HydrophobicContact CG2-CB 4.42Å; I1114-S1200 WeakPolarHBondContact CA-OG 3.45Å; I1114-M1204 HydrophobicContact CD1-CE 3.92Å; I1114-M1204 HydrophobicContact CG2-CE 3.54Å; I1114-L1207 HydrophobicContact CD1-CD2 4.07Å |
| 1115 | D | 88.6 | Confident | 88.8 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | trans | -51.7 | 134.7 | 169.4 | 173.9 | -87.5 | 0 | 0 | 0 | 112.5 | V1117 Y1118 Q1119 S1200 Y1244 | D1115-V1117 VanDerWaalsContact C-N 3.29Å; D1115-V1117 PolarHBondContact O-N 2.69Å; D1115-V1117 VanDerWaalsContact OD1-CA 3.3Å; D1115-V1117 WeakPolarHBondContact OD1-CA 3.31Å; D1115-V1117 WeakPolarHBondContact OD1-CB 3.36Å; D1115-V1117 PolarHBondContact OD1-N 2.85Å; D1115-Y1118 HydrophobicContact CB-CD2 3.8Å; D1115-Y1118 HydrophobicContact CB-CE2 4.47Å; D1115-Y1118 HydrophobicContact CB-CG 4.34Å; D1115-Y1118 PolarHBondContact O-N 2.99Å; D1115-Y1118 VanDerWaalsContact O-N 3.14Å; D1115-Y1118 PolarHBondContact OD1-N 3.03Å; D1115-Y1118 VanDerWaalsContact OD1-N 3.12Å; D1115-Q1119 PolarHBondContact O-N 3.47Å; D1115-S1200 PolarHBondContact N-OG 3.37Å; D1115-Y1244 PolarHBondContact OD2-OH 3.3Å; D1115-Y1244 VanDerWaalsContact OD2-OH 3.14Å | ||
| 1116 | P | 84.8 | Confident | 88.9 | Confident | 56 Ų | 56 | 35.3 Ų | 35.3 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.7 | -32.6 | -179.7 | -30.7 | 37.9 | 0 | 0 | 0 | 115.8 | Y65 N1120 | Y65-P1116 HydrophobicContact CD1-CB 4.49Å; Y65-P1116 HydrophobicContact CE1-CB 3.9Å; Y65-P1116 HydrophobicContact CE1-CG 4.12Å; P1116-N1120 WeakPolarHBondContact O-CB 3.36Å; P1116-N1120 PolarHBondContact O-N 3.09Å; P1116-N1120 VanDerWaalsContact O-N 3.07Å; P1116-N1120 PolarHBondContact O-ND2 3.42Å |
| 1117 | V | 86.5 | Confident | 89 | Confident | 44 Ų | 44 | 34 Ų | 34 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.4 | -44.7 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | D1115 N1120 F1121 Y1244 | D1115-V1117 VanDerWaalsContact C-N 3.29Å; D1115-V1117 PolarHBondContact O-N 2.69Å; D1115-V1117 VanDerWaalsContact OD1-CA 3.3Å; D1115-V1117 WeakPolarHBondContact OD1-CA 3.31Å; D1115-V1117 WeakPolarHBondContact OD1-CB 3.36Å; D1115-V1117 PolarHBondContact OD1-N 2.85Å; V1117-N1120 PolarHBondContact O-N 3.48Å; V1117-F1121 HydrophobicContact CG1-CD2 3.98Å; V1117-F1121 HydrophobicContact CG1-CE1 4.38Å; V1117-F1121 HydrophobicContact CG1-CE2 3.77Å; V1117-F1121 HydrophobicContact CG1-CG 4.38Å; V1117-F1121 HydrophobicContact CG1-CZ 4Å; V1117-F1121 WeakPolarHBondContact O-CB 3.41Å; V1117-F1121 WeakPolarHBondContact O-CG 3.23Å; V1117-F1121 PolarHBondContact O-N 3.21Å; V1117-Y1244 HydrophobicContact CB-CE1 4.26Å; V1117-Y1244 HydrophobicContact CB-CE2 4.17Å; V1117-Y1244 HydrophobicContact CG1-CD2 4.33Å; V1117-Y1244 HydrophobicContact CG1-CE2 4.22Å; V1117-Y1244 HydrophobicContact CG2-CE2 3.82Å |
| 1118 | Y | 90.7 | Very high | 89.1 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 173.2 | -68.9 | -32 | 0 | 0 | 0 | 112.5 | D1115 N1120 F1121 F1122 F1126 F1201 M1204 S1241 Y1244 N1245 | D1115-Y1118 HydrophobicContact CB-CD2 3.8Å; D1115-Y1118 HydrophobicContact CB-CE2 4.47Å; D1115-Y1118 HydrophobicContact CB-CG 4.34Å; D1115-Y1118 PolarHBondContact O-N 2.99Å; D1115-Y1118 VanDerWaalsContact O-N 3.14Å; D1115-Y1118 PolarHBondContact OD1-N 3.03Å; D1115-Y1118 VanDerWaalsContact OD1-N 3.12Å; Y1118-N1120 VanDerWaalsContact C-N 3.33Å; Y1118-N1120 PolarHBondContact O-N 2.9Å; Y1118-F1121 PolarHBondContact O-N 3.43Å; Y1118-F1122 WeakPolarHBondContact O-CB 3.49Å; Y1118-F1122 PolarHBondContact O-N 3.36Å; Y1118-F1126 AromaticContact CD1-CE2 3.93Å; Y1118-F1126 HydrophobicContact CD1-CE2 3.93Å; Y1118-F1126 HydrophobicContact CD1-CZ 4.08Å; Y1118-F1201 HydrophobicContact CE2-CD2 4.34Å; Y1118-M1204 HydrophobicContact CG-CG 4.33Å; Y1118-S1241 WeakPolarHBondContact CE1-OG 3.33Å; Y1118-Y1244 AromaticContact CE1-CD1 3.94Å; Y1118-Y1244 HydrophobicContact CE1-CD1 3.94Å; Y1118-Y1244 HydrophobicContact CE1-CE1 4.48Å; Y1118-N1245 PolarHBondContact OH-ND2 3.11Å |
| 1119 | Q | 89.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 176.3 | -178.8 | -179.4 | 9.3 | 0 | 0 | 111.9 | Y65 L347 I350 M1095 M1099 I1114 D1115 | Y65-Q1119 PolarHBondContact OH-OE1 3.47Å; Y65-Q1119 VanDerWaalsContact OH-OE1 3.05Å; L347-Q1119 PolarHBondContact O-NE2 3.16Å; I350-Q1119 HydrophobicContact CG2-CG 4.4Å; M1095-Q1119 HydrophobicContact CE-CG 4.41Å; M1099-Q1119 HydrophobicContact CE-CB 4.39Å; M1099-Q1119 HydrophobicContact CE-CG 3.88Å; I1114-Q1119 HydrophobicContact CG2-CB 4.42Å; D1115-Q1119 PolarHBondContact O-N 3.47Å |
| 1120 | N | 85.3 | Confident | 89.5 | Confident | 91 Ų | 91 | 34.7 Ų | 34.7 | 49% | 0.487 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.3 | -45.4 | 177.6 | -79.5 | -68.7 | 0 | 0 | 0 | 112.3 | P1116 V1117 Y1118 F1122 | P1116-N1120 WeakPolarHBondContact O-CB 3.36Å; P1116-N1120 PolarHBondContact O-N 3.09Å; P1116-N1120 VanDerWaalsContact O-N 3.07Å; P1116-N1120 PolarHBondContact O-ND2 3.42Å; V1117-N1120 PolarHBondContact O-N 3.48Å; Y1118-N1120 VanDerWaalsContact C-N 3.33Å; Y1118-N1120 PolarHBondContact O-N 2.9Å; N1120-F1122 VanDerWaalsContact C-N 3.31Å; N1120-F1122 PolarHBondContact O-N 3.21Å |
| 1121 | F | 90.3 | Very high | 89.7 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.6 | -22.8 | -179.3 | -74.7 | 2.8 | 0 | 0 | 0 | 113.5 | V1117 Y1118 N1123 V1124 V1125 F1126 V1240 | V1117-F1121 HydrophobicContact CG1-CD2 3.98Å; V1117-F1121 HydrophobicContact CG1-CE1 4.38Å; V1117-F1121 HydrophobicContact CG1-CE2 3.77Å; V1117-F1121 HydrophobicContact CG1-CG 4.38Å; V1117-F1121 HydrophobicContact CG1-CZ 4Å; V1117-F1121 WeakPolarHBondContact O-CB 3.41Å; V1117-F1121 WeakPolarHBondContact O-CG 3.23Å; V1117-F1121 PolarHBondContact O-N 3.21Å; Y1118-F1121 PolarHBondContact O-N 3.43Å; F1121-N1123 VanDerWaalsContact C-N 3.28Å; F1121-N1123 PolarHBondContact O-N 3.28Å; F1121-V1124 PolarHBondContact O-N 2.94Å; F1121-V1125 HydrophobicContact CB-CB 4.31Å; F1121-V1125 HydrophobicContact CB-CG2 4.25Å; F1121-V1125 HydrophobicContact CD1-CG2 4.31Å; F1121-V1125 HydrophobicContact CG-CG2 4.16Å; F1121-V1125 WeakPolarHBondContact O-CA 3.33Å; F1121-V1125 WeakPolarHBondContact O-CB 3.2Å; F1121-V1125 PolarHBondContact O-N 3.4Å; F1121-F1126 HydrophobicContact CB-CD2 4.2Å; F1121-F1126 HydrophobicContact CB-CE1 4.02Å; F1121-F1126 HydrophobicContact CB-CE2 3.65Å; F1121-F1126 HydrophobicContact CB-CZ 3.54Å; F1121-F1126 HydrophobicContact CD2-CE1 4.4Å; F1121-F1126 HydrophobicContact CD2-CZ 4.02Å; F1121-F1126 HydrophobicContact CG-CZ 4.33Å; F1121-F1126 PolarHBondContact O-N 3.02Å; F1121-V1240 HydrophobicContact CD2-CG1 3.87Å; F1121-V1240 HydrophobicContact CE2-CG1 3.97Å |
| 1122 | F | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -51.5 | -46.1 | 176.9 | 179.9 | -106.7 | 0 | 0 | 0 | 112.6 | K1091 M1095 Y1118 N1120 F1126 T1127 M1204 L1207 | K1091-F1122 HydrophobicContact CB-CE1 4.25Å; K1091-F1122 HydrophobicContact CB-CZ 4.2Å; K1091-F1122 HydrophobicContact CD-CE1 4.03Å; K1091-F1122 HydrophobicContact CD-CZ 4.36Å; K1091-F1122 HydrophobicContact CG-CE1 4.45Å; M1095-F1122 HydrophobicContact CE-CB 4.26Å; M1095-F1122 HydrophobicContact CE-CD1 3.48Å; M1095-F1122 VanDerWaalsContact CE-CD1 3.48Å; M1095-F1122 HydrophobicContact CE-CE1 4.14Å; M1095-F1122 HydrophobicContact CE-CG 4.14Å; M1095-F1122 HydrophobicContact SD-CB 4.13Å; M1095-F1122 HydrophobicContact SD-CD1 3.76Å; M1095-F1122 HydrophobicContact SD-CE1 4.31Å; M1095-F1122 HydrophobicContact SD-CG 3.95Å; Y1118-F1122 WeakPolarHBondContact O-CB 3.49Å; Y1118-F1122 PolarHBondContact O-N 3.36Å; N1120-F1122 VanDerWaalsContact C-N 3.31Å; N1120-F1122 PolarHBondContact O-N 3.21Å; F1122-F1126 HydrophobicContact CB-CD2 4.47Å; F1122-T1127 HydrophobicContact CD2-CG2 3.94Å; F1122-T1127 HydrophobicContact CE1-CG2 4.44Å; F1122-T1127 HydrophobicContact CE2-CG2 3.57Å; F1122-T1127 HydrophobicContact CZ-CG2 3.86Å; F1122-T1127 WeakPolarHBondContact O-CB 3.32Å; F1122-T1127 PolarHBondContact O-N 2.98Å; F1122-T1127 PolarHBondContact O-OG1 3.33Å; F1122-M1204 HydrophobicContact CB-CE 4.11Å; F1122-M1204 HydrophobicContact CB-SD 4.43Å; F1122-M1204 HydrophobicContact CD2-CE 4.19Å; F1122-M1204 HydrophobicContact CD2-SD 3.66Å; F1122-M1204 HydrophobicContact CE2-SD 4.37Å; F1122-M1204 HydrophobicContact CG-CE 4.39Å; F1122-M1204 HydrophobicContact CG-SD 4.4Å; F1122-L1207 HydrophobicContact CD2-CD2 4.24Å; F1122-L1207 HydrophobicContact CE2-CD2 3.91Å; F1122-L1207 HydrophobicContact CE2-CG 3.75Å; F1122-L1207 HydrophobicContact CZ-CD1 4.24Å; F1122-L1207 HydrophobicContact CZ-CD2 4.1Å; F1122-L1207 HydrophobicContact CZ-CG 3.95Å |
| 1123 | N | 87.3 | Confident | 90.2 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -84.6 | -25.8 | -176.1 | -92.4 | -52.5 | 0 | 0 | 0 | 114.9 | S355 K1091 N1092 F1121 | S355-N1123 PolarHBondContact OG-OD1 2.82Å; K1091-N1123 PolarHBondContact NZ-OD1 3.33Å; N1092-N1123 PolarHBondContact ND2-OD1 2.96Å; N1092-N1123 PolarHBondContact OD1-ND2 3.32Å; N1092-N1123 PolarHBondContact OD1-OD1 3.16Å; F1121-N1123 VanDerWaalsContact C-N 3.28Å; F1121-N1123 PolarHBondContact O-N 3.28Å |
| 1124 | V | 86.5 | Confident | 90.3 | Very high | 105 Ų | 105 | 32.5 Ų | 32.5 | 64% | 0.636 | 18% | 0.179 | S | C | * | . | I | π-helix | trans | -103.4 | -31.6 | -170.8 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | F1121 A1128 | F1121-V1124 PolarHBondContact O-N 2.94Å; V1124-A1128 WeakPolarHBondContact O-CB 3.37Å |
| 1125 | V | 90.5 | Very high | 90.4 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 28% | 0.279 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -115.6 | -63.2 | -177.5 | -173.5 | 0 | 0 | 0 | 0 | 110 | F1121 T1127 T1236 V1240 | F1121-V1125 HydrophobicContact CB-CB 4.31Å; F1121-V1125 HydrophobicContact CB-CG2 4.25Å; F1121-V1125 HydrophobicContact CD1-CG2 4.31Å; F1121-V1125 HydrophobicContact CG-CG2 4.16Å; F1121-V1125 WeakPolarHBondContact O-CA 3.33Å; F1121-V1125 WeakPolarHBondContact O-CB 3.2Å; F1121-V1125 PolarHBondContact O-N 3.4Å; V1125-T1127 VanDerWaalsContact C-N 3.3Å; V1125-T1127 PolarHBondContact O-N 3.28Å; V1125-T1236 HydrophobicContact CG1-CG2 3.76Å; V1125-V1240 HydrophobicContact CG1-CG2 4.5Å |
| 1126 | F | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -72.7 | -16.8 | -165.1 | -48.4 | -32.3 | 0 | 0 | 0 | 114.7 | Y1118 F1121 F1122 M1204 N1208 Q1212 N1233 F1237 V1240 | Y1118-F1126 AromaticContact CD1-CE2 3.93Å; Y1118-F1126 HydrophobicContact CD1-CE2 3.93Å; Y1118-F1126 HydrophobicContact CD1-CZ 4.08Å; F1121-F1126 HydrophobicContact CB-CD2 4.2Å; F1121-F1126 HydrophobicContact CB-CE1 4.02Å; F1121-F1126 HydrophobicContact CB-CE2 3.65Å; F1121-F1126 HydrophobicContact CB-CZ 3.54Å; F1121-F1126 HydrophobicContact CD2-CE1 4.4Å; F1121-F1126 HydrophobicContact CD2-CZ 4.02Å; F1121-F1126 HydrophobicContact CG-CZ 4.33Å; F1121-F1126 PolarHBondContact O-N 3.02Å; F1122-F1126 HydrophobicContact CB-CD2 4.47Å; F1126-M1204 HydrophobicContact CD2-SD 4.47Å; F1126-N1208 PolarHBondContact O-OD1 3.32Å; F1126-Q1212 PolarHBondContact O-NE2 2.88Å; F1126-N1233 PolarHBondContact O-ND2 2.71Å; F1126-F1237 HydrophobicContact CB-CB 4.49Å; F1126-F1237 HydrophobicContact CD1-CB 4.03Å; F1126-F1237 HydrophobicContact CD1-CD2 4.03Å; F1126-F1237 AromaticContact CD2-CD2 3.72Å; F1126-F1237 HydrophobicContact CD2-CD2 3.72Å; F1126-F1237 HydrophobicContact CD2-CE2 4.33Å; F1126-F1237 HydrophobicContact CE1-CD2 4.08Å; F1126-F1237 AromaticContact CE2-CD2 3.76Å; F1126-F1237 HydrophobicContact CE2-CD2 3.76Å; F1126-F1237 HydrophobicContact CE2-CE2 4.13Å; F1126-F1237 HydrophobicContact CG-CB 4.26Å; F1126-F1237 AromaticContact CG-CD2 3.88Å; F1126-F1237 HydrophobicContact CG-CD2 3.88Å; F1126-F1237 AromaticContact CZ-CD2 3.94Å; F1126-F1237 HydrophobicContact CZ-CD2 3.94Å; F1126-F1237 HydrophobicContact CZ-CE2 4.5Å; F1126-V1240 HydrophobicContact CE1-CB 3.99Å; F1126-V1240 HydrophobicContact CE1-CG1 3.85Å; F1126-V1240 HydrophobicContact CZ-CG1 4.2Å |
| 1127 | T | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | 22.2 | 179.4 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | K1091 F1122 V1125 P1131 | K1091-T1127 HydrophobicContact CD-CG2 4.48Å; K1091-T1127 PolarHBondContact NZ-OG1 3.41Å; F1122-T1127 HydrophobicContact CD2-CG2 3.94Å; F1122-T1127 HydrophobicContact CE1-CG2 4.44Å; F1122-T1127 HydrophobicContact CE2-CG2 3.57Å; F1122-T1127 HydrophobicContact CZ-CG2 3.86Å; F1122-T1127 WeakPolarHBondContact O-CB 3.32Å; F1122-T1127 PolarHBondContact O-N 2.98Å; F1122-T1127 PolarHBondContact O-OG1 3.33Å; V1125-T1127 VanDerWaalsContact C-N 3.3Å; V1125-T1127 PolarHBondContact O-N 3.28Å; T1127-P1131 WeakPolarHBondContact O-CD 3.14Å; T1127-P1131 WeakPolarHBondContact O-CG 3.38Å |
| 1128 | A | 88.2 | Confident | 91.5 | Very high | 24 Ų | 24 | 31 Ų | 31 | 20% | 0.198 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -84.5 | -46.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1124 M1132 | V1124-A1128 WeakPolarHBondContact O-CB 3.37Å; A1128-M1132 PolarHBondContact O-N 3.21Å |
| 1129 | M | 92.2 | Very high | 91.3 | Very high | 99 Ų | 99 | 33 Ų | 33 | 49% | 0.488 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -73.2 | -46.9 | -170.9 | -72.5 | -67 | -77.8 | 0 | 0 | 114.3 | M1132 N1133 V1229 | M1129-M1132 HydrophobicContact CE-CE 4.35Å; M1129-M1132 PolarHBondContact O-N 2.86Å; M1129-M1132 HydrophobicContact SD-CE 3.66Å; M1129-N1133 WeakPolarHBondContact O-CB 3.45Å; M1129-N1133 PolarHBondContact O-N 2.88Å; M1129-V1229 HydrophobicContact CB-CG1 4.12Å |
| 1130 | P | 93.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | -177.5 | -23.9 | 35 | 0 | 0 | 0 | 114.3 | N1133 F1134 L1215 V1229 F1230 N1233 | P1130-N1133 PolarHBondContact O-N 3.04Å; P1130-F1134 WeakPolarHBondContact O-CB 3.28Å; P1130-F1134 PolarHBondContact O-N 2.92Å; P1130-L1215 HydrophobicContact CB-CD2 3.82Å; P1130-V1229 HydrophobicContact CB-CG1 4.46Å; P1130-V1229 HydrophobicContact CG-CG1 4.13Å; P1130-F1230 HydrophobicContact CB-CD1 3.98Å; P1130-F1230 HydrophobicContact CB-CE1 3.76Å; P1130-F1230 HydrophobicContact CB-CZ 4.16Å; P1130-F1230 HydrophobicContact CG-CD1 4.24Å; P1130-F1230 HydrophobicContact CG-CE1 4.48Å; P1130-N1233 VanDerWaalsContact CD-CG 3.48Å; P1130-N1233 VanDerWaalsContact CD-OD1 3.24Å; P1130-N1233 WeakPolarHBondContact CD-OD1 3.5Å; P1130-N1233 HydrophobicContact CG-CB 3.84Å |
| 1131 | P | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 175.5 | -22.4 | 35.9 | 0 | 0 | 0 | 113 | L1084 Y1087 F1088 T1127 N1133 F1134 G1135 L1215 | L1084-P1131 HydrophobicContact CD1-CB 3.55Å; L1084-P1131 WeakPolarHBondContact CD1-O 3.38Å; Y1087-P1131 HydrophobicContact CD1-CB 4.18Å; Y1087-P1131 HydrophobicContact CD1-CG 3.96Å; Y1087-P1131 HydrophobicContact CE1-CB 4.2Å; Y1087-P1131 HydrophobicContact CE1-CG 3.48Å; Y1087-P1131 VanDerWaalsContact CE1-CG 3.48Å; F1088-P1131 HydrophobicContact CD2-CB 4.44Å; F1088-P1131 HydrophobicContact CE2-CB 3.78Å; T1127-P1131 WeakPolarHBondContact O-CD 3.14Å; T1127-P1131 WeakPolarHBondContact O-CG 3.38Å; P1131-N1133 VanDerWaalsContact C-N 3.35Å; P1131-F1134 PolarHBondContact O-N 2.92Å; P1131-G1135 PolarHBondContact O-N 3.35Å; P1131-L1215 HydrophobicContact CB-CD2 4.4Å; P1131-L1215 HydrophobicContact CG-CD2 3.96Å |
| 1132 | M | 93.5 | Very high | 90.9 | Very high | 47 Ų | 47 | 30.3 Ų | 30.3 | 23% | 0.232 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 175.2 | -171.8 | 179.2 | 71.1 | 0 | 0 | 111 | T359 L362 V363 A1128 M1129 G1135 I1136 | T359-M1132 HydrophobicContact CG2-CB 4Å; T359-M1132 HydrophobicContact CG2-CG 4.36Å; L362-M1132 HydrophobicContact CB-SD 4.3Å; L362-M1132 HydrophobicContact CD1-SD 4.21Å; V363-M1132 HydrophobicContact CG2-CG 4.1Å; A1128-M1132 PolarHBondContact O-N 3.21Å; M1129-M1132 HydrophobicContact CE-CE 4.35Å; M1129-M1132 PolarHBondContact O-N 2.86Å; M1129-M1132 HydrophobicContact SD-CE 3.66Å; M1132-G1135 PolarHBondContact O-N 3.39Å; M1132-I1136 HydrophobicContact CG-CD1 4Å; M1132-I1136 WeakPolarHBondContact O-CG1 3.46Å; M1132-I1136 PolarHBondContact O-N 3.14Å |
| 1133 | N | 94.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 176.4 | -169 | 17.3 | 0 | 0 | 0 | 111.5 | M1129 P1130 P1131 G1135 I1136 L1137 V1229 | M1129-N1133 WeakPolarHBondContact O-CB 3.45Å; M1129-N1133 PolarHBondContact O-N 2.88Å; P1130-N1133 PolarHBondContact O-N 3.04Å; P1131-N1133 VanDerWaalsContact C-N 3.35Å; N1133-G1135 VanDerWaalsContact C-N 3.32Å; N1133-G1135 PolarHBondContact O-N 3.25Å; N1133-I1136 PolarHBondContact O-N 3.39Å; N1133-I1136 VanDerWaalsContact O-N 3.1Å; N1133-L1137 PolarHBondContact O-N 3.3Å; N1133-L1137 WeakPolarHBondContact OD1-CD1 3.36Å; N1133-V1229 HydrophobicContact CB-CG1 4.25Å |
| 1134 | F | 94.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.7 | -43.7 | 174.1 | 178.9 | -85.9 | 0 | 0 | 0 | 112.1 | R1083 P1130 P1131 I1136 E1138 L1215 | R1083-F1134 HydrophobicContact CB-CE1 3.69Å; R1083-F1134 HydrophobicContact CB-CZ 3.98Å; P1130-F1134 WeakPolarHBondContact O-CB 3.28Å; P1130-F1134 PolarHBondContact O-N 2.92Å; P1131-F1134 PolarHBondContact O-N 2.92Å; F1134-I1136 PolarHBondContact O-N 3.3Å; F1134-E1138 HydrophobicContact CD2-CB 4.03Å; F1134-E1138 HydrophobicContact CD2-CG 4.08Å; F1134-E1138 HydrophobicContact CE2-CB 4.18Å; F1134-E1138 HydrophobicContact CE2-CG 3.72Å; F1134-E1138 HydrophobicContact CG-CB 4.28Å; F1134-E1138 HydrophobicContact CZ-CG 4.04Å; F1134-E1138 WeakPolarHBondContact O-CB 3.46Å; F1134-E1138 PolarHBondContact O-N 3.17Å; F1134-L1215 HydrophobicContact CB-CD1 4.43Å; F1134-L1215 HydrophobicContact CD1-CD1 4.37Å; F1134-L1215 HydrophobicContact CD2-CD1 4.06Å; F1134-L1215 HydrophobicContact CE2-CD1 4.39Å; F1134-L1215 HydrophobicContact CG-CD1 4.04Å |
| 1135 | G | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -24.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | V363 Q367 R1080 P1131 M1132 N1133 | V363-G1135 WeakPolarHBondContact CG1-O 3.27Å; Q367-G1135 PolarHBondContact NE2-O 2.96Å; R1080-G1135 WeakPolarHBondContact CB-O 3.39Å; R1080-G1135 WeakPolarHBondContact CD-O 3.07Å; P1131-G1135 PolarHBondContact O-N 3.35Å; M1132-G1135 PolarHBondContact O-N 3.39Å; N1133-G1135 VanDerWaalsContact C-N 3.32Å; N1133-G1135 PolarHBondContact O-N 3.25Å |
| 1136 | I | 95 | Very high | 90.8 | Very high | 33 Ų | 33 | 31.5 Ų | 31.5 | 17% | 0.169 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -99.3 | -47.5 | -177 | -64.7 | 167.9 | 0 | 0 | 0 | 111.8 | V363 L370 R1080 M1132 N1133 F1134 | V363-I1136 HydrophobicContact CB-CG1 4.37Å; V363-I1136 HydrophobicContact CG1-CG1 4.45Å; V363-I1136 HydrophobicContact CG2-CG1 4.1Å; L370-I1136 HydrophobicContact CD1-CG2 3.79Å; L370-I1136 WeakPolarHBondContact CD1-O 3.49Å; R1080-I1136 PolarHBondContact NE-O 3.38Å; R1080-I1136 PolarHBondContact NH1-O 3.26Å; M1132-I1136 HydrophobicContact CG-CD1 4Å; M1132-I1136 WeakPolarHBondContact O-CG1 3.46Å; M1132-I1136 PolarHBondContact O-N 3.14Å; N1133-I1136 PolarHBondContact O-N 3.39Å; N1133-I1136 VanDerWaalsContact O-N 3.1Å; F1134-I1136 PolarHBondContact O-N 3.3Å |
| 1137 | L | 93.8 | Very high | 90.8 | Very high | 62 Ų | 62 | 34.1 Ų | 34.1 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -107.1 | -12.5 | -166.5 | -63.3 | -173 | 0 | 0 | 0 | 116.3 | L370 N1133 E1139 F1225 | L370-L1137 HydrophobicContact CD1-CD2 4.13Å; N1133-L1137 PolarHBondContact O-N 3.3Å; N1133-L1137 WeakPolarHBondContact OD1-CD1 3.36Å; L1137-E1139 PolarHBondContact O-N 3.31Å; L1137-F1225 HydrophobicContact CD1-CD1 3.89Å; L1137-F1225 HydrophobicContact CD1-CE1 3.8Å |
| 1138 | E | 92.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | trans | -61.8 | 136.5 | -174.2 | 171 | 66.8 | 158.1 | 0 | 0 | 112.5 | R1080 F1134 Q1220 K1221 | R1080-E1138 HydrophobicContact CG-CB 4.36Å; R1080-E1138 PolarHBondContact NE-O 3Å; R1080-E1138 PolarHBondContact NH2-O 3.33Å; F1134-E1138 HydrophobicContact CD2-CB 4.03Å; F1134-E1138 HydrophobicContact CD2-CG 4.08Å; F1134-E1138 HydrophobicContact CE2-CB 4.18Å; F1134-E1138 HydrophobicContact CE2-CG 3.72Å; F1134-E1138 HydrophobicContact CG-CB 4.28Å; F1134-E1138 HydrophobicContact CZ-CG 4.04Å; F1134-E1138 WeakPolarHBondContact O-CB 3.46Å; F1134-E1138 PolarHBondContact O-N 3.17Å; E1138-Q1220 WeakPolarHBondContact OE1-CB 3.47Å; E1138-Q1220 WeakPolarHBondContact OE1-CG 3.47Å; E1138-Q1220 PolarHBondContact OE1-N 3.47Å; E1138-Q1220 PolarHBondContact OE2-N 2.79Å; E1138-K1221 PolarHBondContact OE2-N 3.07Å | ||
| 1139 | E | 88.3 | Confident | 90.5 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | trans | -123.5 | 106.8 | 176.5 | -73.8 | 166.9 | -138 | 0 | 0 | 109 | W1076 L1137 K1221 | W1076-E1139 HydrophobicContact CH2-CG 4.27Å; W1076-E1139 HydrophobicContact CZ2-CG 3.82Å; L1137-E1139 PolarHBondContact O-N 3.31Å; E1139-K1221 HydrophobicContact CB-CD 3.88Å; E1139-K1221 HydrophobicContact CG-CD 4.21Å; E1139-K1221 IonicContact OE1-NZ 3.61Å; E1139-K1221 PolarHBondContact OE1-NZ 3.42Å; E1139-K1221 WeakPolarHBondContact OE2-CD 3.43Å; E1139-K1221 IonicContact OE2-NZ 3.76Å; E1139-K1221 PolarHBondContact OE2-NZ 2.75Å | ||
| 1140 | D | 83.2 | Confident | 90.2 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -78.9 | -27.1 | 177.7 | 71.9 | -46.2 | 0 | 0 | 0 | 112.8 | H1075 K1299 | H1075-D1140 IonicContact CD2-OD1 2.65Å; H1075-D1140 IonicContact CE1-OD1 3.44Å; H1075-D1140 IonicContact CE1-OD2 2.75Å; H1075-D1140 IonicContact NE2-OD1 2.71Å; H1075-D1140 PolarHBondContact NE2-OD1 3.41Å; H1075-D1140 IonicContact NE2-OD2 3.73Å; H1075-D1140 PolarHBondContact NE2-OD2 3.41Å; H1075-D1140 VanDerWaalsContact NE2-OD2 3.08Å; D1140-K1299 IonicContact OD2-NZ 3.95Å; D1140-K1299 PolarHBondContact OD2-NZ 2.99Å |
| 1141 | I | 84 | Confident | 89.7 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -143.7 | 139.5 | 171.6 | -57.8 | -175 | 0 | 0 | 0 | 107.9 | W1076 H1145 L1146 L1152 | W1076-I1141 PolarHBondContact NE1-O 3.13Å; I1141-H1145 HydrophobicContact CG2-CB 3.65Å; I1141-L1146 HydrophobicContact CB-CD1 4.38Å; I1141-L1146 HydrophobicContact CB-CD2 4Å; I1141-L1146 HydrophobicContact CB-CG 4.02Å; I1141-L1146 HydrophobicContact CD1-CD2 4.31Å; I1141-L1146 HydrophobicContact CG2-CD2 4.03Å; I1141-L1146 HydrophobicContact CG2-CG 3.85Å; I1141-L1152 HydrophobicContact CD1-CD1 3.81Å; I1141-L1152 HydrophobicContact CD1-CD2 4.32Å |
| 1142 | K | 87.6 | Confident | 89.2 | Confident | 100 Ų | 100 | 38.8 Ų | 38.8 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | trans | -65.8 | 151.1 | 176.8 | -62.6 | 172.6 | 177.6 | 172.3 | 0 | 112 | K1144 H1145 L1146 E1310 | K1142-K1144 VanDerWaalsContact C-N 3.33Å; K1142-K1144 PolarHBondContact O-N 2.92Å; K1142-H1145 PolarHBondContact O-N 3.36Å; K1142-H1145 VanDerWaalsContact O-N 3.08Å; K1142-L1146 PolarHBondContact O-N 3.46Å; K1142-E1310 VanDerWaalsContact CD-OE1 3.28Å; K1142-E1310 WeakPolarHBondContact CD-OE1 3.13Å; K1142-E1310 IonicContact NZ-OE1 2.69Å; K1142-E1310 PolarHBondContact NZ-OE1 3.16Å; K1142-E1310 IonicContact NZ-OE2 3.65Å; K1142-E1310 PolarHBondContact NZ-OE2 3.21Å | ||
| 1143 | D | 90.6 | Very high | 88.8 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -38.5 | -175.5 | 79 | -33.3 | 0 | 0 | 0 | 114.2 | K376 R1068 V1072 W1076 H1145 L1146 M1147 | K376-D1143 IonicContact NZ-OD1 3.43Å; K376-D1143 IonicContact NZ-OD2 3.17Å; K376-D1143 PolarHBondContact NZ-OD2 3.49Å; R1068-D1143 IonicContact CZ-OD2 2.64Å; R1068-D1143 IonicContact NH1-OD2 2.93Å; R1068-D1143 PolarHBondContact NH1-OD2 2.87Å; R1068-D1143 IonicContact NH2-OD2 3.29Å; R1068-D1143 PolarHBondContact NH2-OD2 3.23Å; R1068-D1143 VanDerWaalsContact NH2-OD2 3.15Å; V1072-D1143 HydrophobicContact CG1-CB 3.65Å; V1072-D1143 HydrophobicContact CG2-CB 4.1Å; W1076-D1143 HydrophobicContact CH2-CB 3.89Å; W1076-D1143 HydrophobicContact CZ2-CB 4.07Å; D1143-H1145 VanDerWaalsContact C-N 3.34Å; D1143-H1145 PolarHBondContact O-N 3.31Å; D1143-L1146 PolarHBondContact O-N 3.04Å; D1143-M1147 WeakPolarHBondContact O-CG 3.38Å; D1143-M1147 PolarHBondContact O-N 3.31Å |
| 1144 | K | 89.4 | Confident | 88.1 | Confident | 135 Ų | 135 | 37.3 Ų | 37.3 | 59% | 0.587 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -53.3 | -48.3 | 173.7 | -69.3 | -172.2 | 175.3 | -171.1 | 0 | 112.6 | K1142 M1147 A1148 | K1142-K1144 VanDerWaalsContact C-N 3.33Å; K1142-K1144 PolarHBondContact O-N 2.92Å; K1144-M1147 PolarHBondContact O-N 2.85Å; K1144-A1148 WeakPolarHBondContact O-CB 3.43Å; K1144-A1148 PolarHBondContact O-N 3.48Å |
| 1145 | H | 85.2 | Confident | 87.1 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73 | -33.8 | -174.9 | -66.8 | -51.5 | 0 | 0 | 0 | 112.1 | I1141 K1142 D1143 A1148 N1149 L1306 E1310 | I1141-H1145 HydrophobicContact CG2-CB 3.65Å; K1142-H1145 PolarHBondContact O-N 3.36Å; K1142-H1145 VanDerWaalsContact O-N 3.08Å; D1143-H1145 VanDerWaalsContact C-N 3.34Å; D1143-H1145 PolarHBondContact O-N 3.31Å; H1145-A1148 PolarHBondContact O-N 3.01Å; H1145-N1149 WeakPolarHBondContact O-CB 3.47Å; H1145-N1149 PolarHBondContact O-N 3.15Å; H1145-N1149 PolarHBondContact O-ND2 3.44Å; H1145-L1306 HydrophobicContact CB-CD1 4.14Å; H1145-E1310 IonicContact CD2-OE1 2.81Å; H1145-E1310 IonicContact CE1-OE1 3.13Å; H1145-E1310 VanDerWaalsContact NE2-CD 3.27Å; H1145-E1310 IonicContact NE2-OE1 2.63Å; H1145-E1310 PolarHBondContact NE2-OE1 2.97Å; H1145-E1310 IonicContact NE2-OE2 2.77Å |
| 1146 | L | 88.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.9 | -38.3 | 172.6 | -69.1 | 171.8 | 0 | 0 | 0 | 112.3 | V1072 I1141 K1142 D1143 N1149 L1152 | V1072-L1146 HydrophobicContact CG2-CB 4.19Å; I1141-L1146 HydrophobicContact CB-CD1 4.38Å; I1141-L1146 HydrophobicContact CB-CD2 4Å; I1141-L1146 HydrophobicContact CB-CG 4.02Å; I1141-L1146 HydrophobicContact CD1-CD2 4.31Å; I1141-L1146 HydrophobicContact CG2-CD2 4.03Å; I1141-L1146 HydrophobicContact CG2-CG 3.85Å; K1142-L1146 PolarHBondContact O-N 3.46Å; D1143-L1146 PolarHBondContact O-N 3.04Å; L1146-N1149 CarbonylContact O-C 3.41Å; L1146-L1152 HydrophobicContact CD2-CB 4.3Å; L1146-L1152 HydrophobicContact CD2-CD1 4.29Å |
| 1147 | M | 91.4 | Very high | 85.5 | Confident | 55 Ų | 55 | 38.9 Ų | 38.9 | 27% | 0.271 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -70.1 | -38.5 | 174 | -68.4 | -67.2 | -65.4 | 0 | 0 | 112.4 | Q1067 R1068 V1072 D1143 K1144 | Q1067-M1147 VanDerWaalsContact CD-CE 3.5Å; Q1067-M1147 HydrophobicContact CG-CE 3.79Å; Q1067-M1147 HydrophobicContact CG-SD 4.24Å; R1068-M1147 HydrophobicContact CB-CE 4.37Å; R1068-M1147 HydrophobicContact CB-SD 4.02Å; R1068-M1147 HydrophobicContact CG-SD 4.35Å; V1072-M1147 HydrophobicContact CG2-CG 3.76Å; V1072-M1147 HydrophobicContact CG2-SD 3.81Å; D1143-M1147 WeakPolarHBondContact O-CG 3.38Å; D1143-M1147 PolarHBondContact O-N 3.31Å; K1144-M1147 PolarHBondContact O-N 2.85Å |
| 1148 | A | 88 | Confident | 84.3 | Confident | 73 Ų | 73 | 38.2 Ų | 38.2 | 60% | 0.603 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -76.7 | -24.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1144 H1145 | K1144-A1148 WeakPolarHBondContact O-CB 3.43Å; K1144-A1148 PolarHBondContact O-N 3.48Å; H1145-A1148 PolarHBondContact O-N 3.01Å |
| 1149 | N | 85.7 | Confident | 83.3 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | trans | -126.1 | 70.4 | -179.5 | -67 | -87.7 | 0 | 0 | 0 | 111.9 | H1145 L1146 H1151 L1152 | H1145-N1149 WeakPolarHBondContact O-CB 3.47Å; H1145-N1149 PolarHBondContact O-N 3.15Å; H1145-N1149 PolarHBondContact O-ND2 3.44Å; L1146-N1149 CarbonylContact O-C 3.41Å; N1149-H1151 PolarHBondContact O-N 3.12Å; N1149-H1151 PolarHBondContact OD1-CE1 3.46Å; N1149-L1152 HydrophobicContact CB-CD1 3.75Å; N1149-L1152 HydrophobicContact CB-CG 4.19Å; N1149-L1152 WeakPolarHBondContact O-CB 3.5Å; N1149-L1152 WeakPolarHBondContact O-CG 3.19Å; N1149-L1152 PolarHBondContact O-N 3.04Å; N1149-L1152 VanDerWaalsContact O-N 3.13Å | ||
| 1150 | P | 87.1 | Confident | 82.5 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -56.5 | -28.8 | -175.5 | -27.2 | 35.9 | 0 | 0 | 0 | 114.9 | A876 A880 L1071 L1152 Y1153 | A876-P1150 HydrophobicContact CB-CB 4.47Å; A876-P1150 HydrophobicContact CB-CG 3.91Å; A876-P1150 WeakPolarHBondContact O-CB 3.42Å; A880-P1150 WeakPolarHBondContact CA-O 3.28Å; A880-P1150 HydrophobicContact CB-CB 4.03Å; A880-P1150 VanDerWaalsContact CB-O 3.3Å; A880-P1150 WeakPolarHBondContact CB-O 3.4Å; L1071-P1150 HydrophobicContact CD1-CB 3.73Å; L1071-P1150 HydrophobicContact CD1-CG 3.94Å; L1071-P1150 HydrophobicContact CD2-CB 4.22Å; P1150-L1152 PolarHBondContact O-N 3.01Å; P1150-Y1153 VanDerWaalsContact O-CB 3.29Å; P1150-Y1153 WeakPolarHBondContact O-CB 3.37Å; P1150-Y1153 PolarHBondContact O-N 3.49Å |
| 1151 | H | 83.4 | Confident | 82.2 | Confident | 87 Ų | 87 | 41 Ų | 41 | 40% | 0.403 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -53.9 | -23.9 | 177.9 | 71.6 | -100.7 | 0 | 0 | 0 | 113.8 | S879 N1149 Y1153 V1154 | S879-H1151 WeakPolarHBondContact O-CA 3.29Å; N1149-H1151 PolarHBondContact O-N 3.12Å; N1149-H1151 PolarHBondContact OD1-CE1 3.46Å; H1151-Y1153 PolarHBondContact O-N 3.4Å; H1151-V1154 WeakPolarHBondContact O-CB 3.35Å; H1151-V1154 VanDerWaalsContact O-CG2 3.22Å; H1151-V1154 WeakPolarHBondContact O-CG2 3.41Å; H1151-V1154 PolarHBondContact O-N 2.95Å |
| 1152 | L | 82.2 | Confident | 82.2 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -62 | -23.8 | 177.1 | -70.3 | 169.3 | 0 | 0 | 0 | 113.6 | I1141 L1146 N1149 P1150 V1154 L1155 L1302 | I1141-L1152 HydrophobicContact CD1-CD1 3.81Å; I1141-L1152 HydrophobicContact CD1-CD2 4.32Å; L1146-L1152 HydrophobicContact CD2-CB 4.3Å; L1146-L1152 HydrophobicContact CD2-CD1 4.29Å; N1149-L1152 HydrophobicContact CB-CD1 3.75Å; N1149-L1152 HydrophobicContact CB-CG 4.19Å; N1149-L1152 WeakPolarHBondContact O-CB 3.5Å; N1149-L1152 WeakPolarHBondContact O-CG 3.19Å; N1149-L1152 PolarHBondContact O-N 3.04Å; N1149-L1152 VanDerWaalsContact O-N 3.13Å; P1150-L1152 PolarHBondContact O-N 3.01Å; L1152-V1154 PolarHBondContact O-N 3.3Å; L1152-L1155 HydrophobicContact CD2-CD1 4.35Å; L1152-L1155 WeakPolarHBondContact O-CB 3.5Å; L1152-L1155 WeakPolarHBondContact O-CD1 3.32Å; L1152-L1155 VanDerWaalsContact O-CG 3.23Å; L1152-L1155 WeakPolarHBondContact O-CG 3.37Å; L1152-L1155 PolarHBondContact O-N 2.88Å; L1152-L1302 HydrophobicContact CD1-CD2 4.25Å; L1152-L1302 HydrophobicContact CD2-CD2 3.83Å; L1152-L1302 HydrophobicContact CG-CD2 4.36Å |
| 1153 | Y | 85.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -61.8 | -22.3 | 177.3 | -172.1 | -101.1 | 0 | 0 | 0 | 113.4 | L397 Q399 V400 A880 I882 L1070 L1071 H1075 P1150 H1151 L1155 G1156 R1157 | L397-Y1153 WeakPolarHBondContact O-CE2 3.29Å; L397-Y1153 PolarHBondContact O-OH 3.48Å; Q399-Y1153 PolarHBondContact N-OH 2.94Å; V400-Y1153 WeakPolarHBondContact CB-OH 3.31Å; V400-Y1153 PolarHBondContact N-OH 3.44Å; A880-Y1153 HydrophobicContact CB-CD1 4.28Å; A880-Y1153 HydrophobicContact CB-CG 4.44Å; I882-Y1153 HydrophobicContact CD1-CD1 3.8Å; I882-Y1153 HydrophobicContact CD1-CE1 3.59Å; I882-Y1153 HydrophobicContact CG1-CD1 4.01Å; I882-Y1153 HydrophobicContact CG1-CE1 3.91Å; L1070-Y1153 HydrophobicContact CB-CE2 4.23Å; L1070-Y1153 VanDerWaalsContact O-CE2 3.32Å; L1070-Y1153 WeakPolarHBondContact O-CE2 3.48Å; L1071-Y1153 HydrophobicContact CD2-CD2 4.1Å; L1071-Y1153 HydrophobicContact CD2-CG 3.96Å; H1075-Y1153 HydrophobicContact CB-CD2 4.39Å; P1150-Y1153 VanDerWaalsContact O-CB 3.29Å; P1150-Y1153 WeakPolarHBondContact O-CB 3.37Å; P1150-Y1153 PolarHBondContact O-N 3.49Å; H1151-Y1153 PolarHBondContact O-N 3.4Å; Y1153-L1155 PolarHBondContact O-N 3.45Å; Y1153-L1155 VanDerWaalsContact O-N 3.1Å; Y1153-G1156 PolarHBondContact O-N 3.1Å; Y1153-G1156 VanDerWaalsContact O-N 3.1Å; Y1153-R1157 HydrophobicContact CD1-CG 3.88Å; Y1153-R1157 HydrophobicContact CE1-CG 3.69Å |
| 1154 | V | 79 | Confident | 82 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 16% | 0.164 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.9 | -32.7 | 173 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | L958 H1151 L1152 G1156 R1157 G1158 | L958-V1154 HydrophobicContact CD2-CG1 4.01Å; L958-V1154 HydrophobicContact CD2-CG2 4.16Å; H1151-V1154 WeakPolarHBondContact O-CB 3.35Å; H1151-V1154 VanDerWaalsContact O-CG2 3.22Å; H1151-V1154 WeakPolarHBondContact O-CG2 3.41Å; H1151-V1154 PolarHBondContact O-N 2.95Å; L1152-V1154 PolarHBondContact O-N 3.3Å; V1154-G1156 VanDerWaalsContact C-N 3.27Å; V1154-G1156 PolarHBondContact O-N 3.18Å; V1154-R1157 PolarHBondContact O-N 3.25Å; V1154-G1158 PolarHBondContact O-N 2.86Å |
| 1155 | L | 74.9 | Confident | 82 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -34.4 | -179.5 | -62.8 | 170.8 | 0 | 0 | 0 | 113.3 | L1152 Y1153 Q1160 K1299 | L1152-L1155 HydrophobicContact CD2-CD1 4.35Å; L1152-L1155 WeakPolarHBondContact O-CB 3.5Å; L1152-L1155 WeakPolarHBondContact O-CD1 3.32Å; L1152-L1155 VanDerWaalsContact O-CG 3.23Å; L1152-L1155 WeakPolarHBondContact O-CG 3.37Å; L1152-L1155 PolarHBondContact O-N 2.88Å; Y1153-L1155 PolarHBondContact O-N 3.45Å; Y1153-L1155 VanDerWaalsContact O-N 3.1Å; L1155-Q1160 PolarHBondContact O-N 3.47Å; L1155-K1299 HydrophobicContact CD1-CD 3.6Å; L1155-K1299 HydrophobicContact CD1-CG 4.26Å |
| 1156 | G | 76.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -77.6 | -47.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G398 Q399 Y1153 V1154 N1159 | G398-G1156 CarbonylContact O-C 3.55Å; G398-G1156 WeakPolarHBondContact O-CA 3.14Å; Q399-G1156 PolarHBondContact NE2-O 3.28Å; Y1153-G1156 PolarHBondContact O-N 3.1Å; Y1153-G1156 VanDerWaalsContact O-N 3.1Å; V1154-G1156 VanDerWaalsContact C-N 3.27Å; V1154-G1156 PolarHBondContact O-N 3.18Å; G1156-N1159 PolarHBondContact O-N 2.97Å; G1156-N1159 VanDerWaalsContact O-N 3.11Å |
| 1157 | R | 78 | Confident | 82.3 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 177.9 | -54.2 | -167.6 | -62.1 | 143.9 | -9.7 | 112.4 | V400 E401 A880 G881 Y1153 V1154 N1159 | V400-R1157 WeakPolarHBondContact O-CD 3.47Å; E401-R1157 HydrophobicContact CG-CB 4.4Å; A880-R1157 PolarHBondContact O-NH2 3.28Å; G881-R1157 VanDerWaalsContact CA-NH2 3.28Å; G881-R1157 PolarHBondContact O-NH1 3.39Å; G881-R1157 PolarHBondContact O-NH2 2.93Å; Y1153-R1157 HydrophobicContact CD1-CG 3.88Å; Y1153-R1157 HydrophobicContact CE1-CG 3.69Å; V1154-R1157 PolarHBondContact O-N 3.25Å; R1157-N1159 PolarHBondContact O-N 3.39Å; R1157-N1159 PolarHBondContact O-ND2 3.16Å |
| 1158 | G | 68.1 | Low | 82.4 | Confident | 49 Ų | 49 | 45.7 Ų | 45.7 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -2.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1154 Q1160 | V1154-G1158 PolarHBondContact O-N 2.86Å; G1158-Q1160 PolarHBondContact O-N 3.04Å |
| 1159 | N | 72.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 26.6 | -180 | -75.9 | -106.6 | 0 | 0 | 0 | 113.3 | K284 Q399 G1156 R1157 I1161 F1162 | K284-N1159 VanDerWaalsContact NZ-CB 3.29Å; K284-N1159 PolarHBondContact NZ-OD1 3.16Å; Q399-N1159 PolarHBondContact NE2-ND2 2.76Å; Q399-N1159 VanDerWaalsContact NE2-ND2 3.12Å; Q399-N1159 PolarHBondContact NE2-OD1 2.88Å; G1156-N1159 PolarHBondContact O-N 2.97Å; G1156-N1159 VanDerWaalsContact O-N 3.11Å; R1157-N1159 PolarHBondContact O-N 3.39Å; R1157-N1159 PolarHBondContact O-ND2 3.16Å; N1159-I1161 PolarHBondContact O-N 2.99Å; N1159-I1161 VanDerWaalsContact O-N 3.16Å; N1159-F1162 CarbonylContact O-C 3.52Å; N1159-F1162 PolarHBondContact O-N 2.9Å |
| 1160 | Q | 70.7 | Confident | 83 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | trans | -70.9 | -12.8 | -172.5 | -63.1 | -175.1 | -7.1 | 0 | 0 | 112.8 | L1155 G1158 K1166 | L1155-Q1160 PolarHBondContact O-N 3.47Å; G1158-Q1160 PolarHBondContact O-N 3.04Å; Q1160-K1166 WeakPolarHBondContact O-CE 3.4Å; Q1160-K1166 PolarHBondContact O-NZ 3.15Å | ||
| 1161 | I | 77.5 | Confident | 83.4 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -84 | -57.8 | 175.8 | -50.7 | -179 | 0 | 0 | 0 | 109.8 | Y1078 N1079 A1082 R1083 N1159 K1166 | Y1078-I1161 HydrophobicContact CD1-CD1 4.03Å; Y1078-I1161 HydrophobicContact CE1-CB 3.98Å; Y1078-I1161 HydrophobicContact CE1-CD1 3.81Å; Y1078-I1161 HydrophobicContact CE1-CG1 4.03Å; N1079-I1161 HydrophobicContact CB-CD1 3.76Å; N1079-I1161 WeakPolarHBondContact OD1-CD1 3.38Å; A1082-I1161 HydrophobicContact CB-CB 4.07Å; A1082-I1161 HydrophobicContact CB-CG2 3.63Å; R1083-I1161 HydrophobicContact CG-CG2 3.98Å; N1159-I1161 PolarHBondContact O-N 2.99Å; N1159-I1161 VanDerWaalsContact O-N 3.16Å; I1161-K1166 WeakPolarHBondContact O-CD 3.33Å |
| 1162 | F | 85 | Confident | 84 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -104.2 | 97.4 | 177.2 | -161.8 | -91.4 | 0 | 0 | 0 | 112.6 | L281 K284 Y1078 A1082 I1085 L1086 N1159 F1167 | L281-F1162 HydrophobicContact CD1-CB 3.97Å; L281-F1162 HydrophobicContact CD1-CD1 4.02Å; L281-F1162 HydrophobicContact CD1-CG 3.95Å; K284-F1162 HydrophobicContact CB-CD1 4.03Å; K284-F1162 HydrophobicContact CB-CE1 3.98Å; K284-F1162 HydrophobicContact CD-CD1 4.42Å; Y1078-F1162 PolarHBondContact OH-N 2.98Å; A1082-F1162 HydrophobicContact CB-CB 4.06Å; I1085-F1162 HydrophobicContact CB-CD2 4.49Å; I1085-F1162 HydrophobicContact CB-CE2 4.2Å; I1085-F1162 HydrophobicContact CG2-CD2 4.17Å; I1085-F1162 HydrophobicContact CG2-CE2 3.45Å; I1085-F1162 VanDerWaalsContact CG2-CE2 3.45Å; I1085-F1162 HydrophobicContact CG2-CZ 3.94Å; L1086-F1162 HydrophobicContact CD1-CD2 4.27Å; L1086-F1162 HydrophobicContact CD2-CD2 3.99Å; L1086-F1162 HydrophobicContact CD2-CE2 3.75Å; L1086-F1162 HydrophobicContact CG-CD2 3.76Å; L1086-F1162 HydrophobicContact CG-CE2 3.87Å; N1159-F1162 CarbonylContact O-C 3.52Å; N1159-F1162 PolarHBondContact O-N 2.9Å; F1162-F1167 HydrophobicContact CZ-CD2 4.46Å |
| 1163 | C | 86.8 | Confident | 84.6 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | trans | -138.1 | 154.1 | 174.3 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | R1165 K1166 F1167 | C1163-R1165 PolarHBondContact O-N 3.49Å; C1163-K1166 PolarHBondContact O-N 3.49Å; C1163-F1167 PolarHBondContact O-N 3.1Å | ||
| 1164 | T | 87.2 | Confident | 85.2 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 55% | 0.552 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -57.2 | -35.4 | -173.8 | -39 | 0 | 0 | 0 | 0 | 112.9 | L291 F1167 V1168 | L291-T1164 HydrophobicContact CD2-CG2 4.36Å; T1164-F1167 WeakPolarHBondContact O-CB 3.34Å; T1164-F1167 PolarHBondContact O-N 3.29Å; T1164-V1168 WeakPolarHBondContact O-CG2 3.41Å; T1164-V1168 PolarHBondContact O-N 3.47Å |
| 1165 | R | 88.8 | Confident | 86 | Confident | 185 Ų | 185 | 46.2 Ų | 46.2 | 70% | 0.698 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.6 | -44.8 | 174.7 | -166.8 | -178.4 | 79.5 | 177 | 4.3 | 112.3 | C1163 L1169 | C1163-R1165 PolarHBondContact O-N 3.49Å; R1165-L1169 HydrophobicContact CG-CD1 4.33Å; R1165-L1169 VanDerWaalsContact O-CG 3.29Å; R1165-L1169 WeakPolarHBondContact O-CG 3.46Å; R1165-L1169 PolarHBondContact O-N 3.07Å |
| 1166 | K | 87.7 | Confident | 87 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.7 | -36.5 | 176.8 | -80.5 | -176.5 | 170.4 | -178.9 | 0 | 111.9 | Q1160 I1161 C1163 T1170 | Q1160-K1166 WeakPolarHBondContact O-CE 3.4Å; Q1160-K1166 PolarHBondContact O-NZ 3.15Å; I1161-K1166 WeakPolarHBondContact O-CD 3.33Å; C1163-K1166 PolarHBondContact O-N 3.49Å; K1166-T1170 WeakPolarHBondContact O-CB 3.04Å; K1166-T1170 PolarHBondContact O-N 3.36Å; K1166-T1170 PolarHBondContact O-OG1 3.37Å |
| 1167 | F | 92.4 | Very high | 88 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -52.5 | 172.7 | 176 | -90.3 | 0 | 0 | 0 | 111.3 | L291 L1086 F1089 F1162 C1163 T1164 L1169 T1170 I1171 | L291-F1167 HydrophobicContact CB-CE1 4.47Å; L291-F1167 HydrophobicContact CD2-CD1 3.91Å; L291-F1167 HydrophobicContact CD2-CE1 3.72Å; L291-F1167 HydrophobicContact CG-CE1 4.13Å; L1086-F1167 HydrophobicContact CD2-CB 4.28Å; L1086-F1167 HydrophobicContact CD2-CD2 4.49Å; F1089-F1167 HydrophobicContact CB-CE2 4.05Å; F1089-F1167 HydrophobicContact CD1-CE2 4Å; F1089-F1167 HydrophobicContact CD2-CD2 4.25Å; F1089-F1167 AromaticContact CD2-CE2 3.74Å; F1089-F1167 HydrophobicContact CD2-CE2 3.74Å; F1089-F1167 HydrophobicContact CE1-CE2 4.38Å; F1089-F1167 HydrophobicContact CE2-CE2 4.13Å; F1089-F1167 HydrophobicContact CG-CD2 4.49Å; F1089-F1167 AromaticContact CG-CE2 3.67Å; F1089-F1167 HydrophobicContact CG-CE2 3.67Å; F1089-F1167 HydrophobicContact CZ-CE2 4.44Å; F1162-F1167 HydrophobicContact CZ-CD2 4.46Å; C1163-F1167 PolarHBondContact O-N 3.1Å; T1164-F1167 WeakPolarHBondContact O-CB 3.34Å; T1164-F1167 PolarHBondContact O-N 3.29Å; F1167-L1169 PolarHBondContact O-N 2.94Å; F1167-T1170 WeakPolarHBondContact O-CA 3.22Å; F1167-T1170 VanDerWaalsContact O-CB 3.3Å; F1167-T1170 WeakPolarHBondContact O-CB 3.43Å; F1167-T1170 PolarHBondContact O-N 2.78Å; F1167-I1171 HydrophobicContact CD1-CG1 4.24Å; F1167-I1171 HydrophobicContact CE1-CD1 4.28Å; F1167-I1171 HydrophobicContact CE1-CG1 3.82Å; F1167-I1171 HydrophobicContact CE2-CD1 4.38Å; F1167-I1171 HydrophobicContact CZ-CD1 3.96Å; F1167-I1171 HydrophobicContact CZ-CG1 4.01Å; F1167-I1171 WeakPolarHBondContact O-CG1 3.31Å; F1167-I1171 PolarHBondContact O-N 2.74Å |
| 1168 | V | 93.6 | Very high | 89 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 38% | 0.376 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 178.2 | 172 | 0 | 0 | 0 | 0 | 111.9 | L291 T1164 T1170 I1171 L1172 | L291-V1168 HydrophobicContact CD2-CG2 4.1Å; T1164-V1168 WeakPolarHBondContact O-CG2 3.41Å; T1164-V1168 PolarHBondContact O-N 3.47Å; V1168-T1170 PolarHBondContact O-N 3.28Å; V1168-I1171 PolarHBondContact O-N 2.75Å; V1168-I1171 VanDerWaalsContact O-N 3.15Å; V1168-L1172 HydrophobicContact CG1-CD1 4.25Å; V1168-L1172 WeakPolarHBondContact O-CG 3.31Å; V1168-L1172 PolarHBondContact O-N 3.48Å |
| 1169 | L | 92.8 | Very high | 90.3 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 45% | 0.45 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -32.3 | 173.8 | -71.7 | 168.7 | 0 | 0 | 0 | 112.7 | R1165 F1167 D1173 | R1165-L1169 HydrophobicContact CG-CD1 4.33Å; R1165-L1169 VanDerWaalsContact O-CG 3.29Å; R1165-L1169 WeakPolarHBondContact O-CG 3.46Å; R1165-L1169 PolarHBondContact O-N 3.07Å; F1167-L1169 PolarHBondContact O-N 2.94Å; L1169-D1173 WeakPolarHBondContact O-CB 3.42Å; L1169-D1173 PolarHBondContact O-N 3.29Å |
| 1170 | T | 93.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.3 | -33.8 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | K1166 F1167 V1168 A1174 | K1166-T1170 WeakPolarHBondContact O-CB 3.04Å; K1166-T1170 PolarHBondContact O-N 3.36Å; K1166-T1170 PolarHBondContact O-OG1 3.37Å; F1167-T1170 WeakPolarHBondContact O-CA 3.22Å; F1167-T1170 VanDerWaalsContact O-CB 3.3Å; F1167-T1170 WeakPolarHBondContact O-CB 3.43Å; F1167-T1170 PolarHBondContact O-N 2.78Å; V1168-T1170 PolarHBondContact O-N 3.28Å; T1170-A1174 WeakPolarHBondContact O-CB 3.25Å; T1170-A1174 PolarHBondContact O-N 2.64Å |
| 1171 | I | 95.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 171.5 | -61.2 | -59.7 | 0 | 0 | 0 | 110.7 | I295 S1093 F1097 F1167 V1168 A1174 S1175 | I295-I1171 HydrophobicContact CD1-CG2 4.3Å; S1093-I1171 VanDerWaalsContact OG-CD1 3.27Å; S1093-I1171 WeakPolarHBondContact OG-CD1 3.45Å; F1097-I1171 HydrophobicContact CE2-CG2 3.85Å; F1097-I1171 HydrophobicContact CZ-CG2 3.84Å; F1167-I1171 HydrophobicContact CD1-CG1 4.24Å; F1167-I1171 HydrophobicContact CE1-CD1 4.28Å; F1167-I1171 HydrophobicContact CE1-CG1 3.82Å; F1167-I1171 HydrophobicContact CE2-CD1 4.38Å; F1167-I1171 HydrophobicContact CZ-CD1 3.96Å; F1167-I1171 HydrophobicContact CZ-CG1 4.01Å; F1167-I1171 WeakPolarHBondContact O-CG1 3.31Å; F1167-I1171 PolarHBondContact O-N 2.74Å; V1168-I1171 PolarHBondContact O-N 2.75Å; V1168-I1171 VanDerWaalsContact O-N 3.15Å; I1171-A1174 WeakPolarHBondContact O-CB 3.32Å; I1171-A1174 PolarHBondContact O-N 3.48Å; I1171-S1175 PolarHBondContact O-N 2.97Å |
| 1172 | L | 95.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 43.5 Ų | 43.5 | 52% | 0.524 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 176 | -68.7 | 171.4 | 0 | 0 | 0 | 111.7 | V1168 A1174 S1175 W1176 | V1168-L1172 HydrophobicContact CG1-CD1 4.25Å; V1168-L1172 WeakPolarHBondContact O-CG 3.31Å; V1168-L1172 PolarHBondContact O-N 3.48Å; L1172-A1174 VanDerWaalsContact C-N 3.3Å; L1172-A1174 PolarHBondContact O-N 2.81Å; L1172-S1175 PolarHBondContact O-N 2.66Å; L1172-S1175 VanDerWaalsContact O-N 3.12Å; L1172-S1175 PolarHBondContact O-OG 3.21Å; L1172-W1176 PolarHBondContact O-N 3.25Å |
| 1173 | D | 95.5 | Very high | 94.1 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -42.3 | 173.2 | -170.5 | 19.4 | 0 | 0 | 0 | 111.5 | L1169 S1175 W1176 Q1177 H1214 R1285 | L1169-D1173 WeakPolarHBondContact O-CB 3.42Å; L1169-D1173 PolarHBondContact O-N 3.29Å; D1173-S1175 PolarHBondContact O-N 3.15Å; D1173-W1176 PolarHBondContact O-N 2.97Å; D1173-Q1177 WeakPolarHBondContact O-CG 3.43Å; D1173-Q1177 PolarHBondContact O-N 3.2Å; D1173-Q1177 PolarHBondContact OD1-NE2 2.72Å; D1173-H1214 IonicContact OD2-CE1 2.74Å; D1173-R1285 WeakPolarHBondContact OD2-CD 3.33Å; D1173-R1285 IonicContact OD2-CZ 3.56Å; D1173-R1285 IonicContact OD2-NE 2.72Å; D1173-R1285 IonicContact OD2-NH1 3.85Å; D1173-R1285 PolarHBondContact OD2-NH1 3.11Å |
| 1174 | A | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1090 V1094 F1097 T1170 I1171 L1172 Q1177 A1178 | Y1090-A1174 HydrophobicContact CD2-CB 3.96Å; Y1090-A1174 HydrophobicContact CE2-CB 4.42Å; V1094-A1174 HydrophobicContact CG2-CB 3.72Å; F1097-A1174 HydrophobicContact CD2-CB 4.46Å; T1170-A1174 WeakPolarHBondContact O-CB 3.25Å; T1170-A1174 PolarHBondContact O-N 2.64Å; I1171-A1174 WeakPolarHBondContact O-CB 3.32Å; I1171-A1174 PolarHBondContact O-N 3.48Å; L1172-A1174 VanDerWaalsContact C-N 3.3Å; L1172-A1174 PolarHBondContact O-N 2.81Å; A1174-Q1177 PolarHBondContact O-N 3.13Å; A1174-A1178 WeakPolarHBondContact O-CB 3.38Å; A1174-A1178 PolarHBondContact O-N 2.84Å |
| 1175 | S | 96.6 | Very high | 94.8 | Very high | 29 Ų | 29 | 41 Ų | 41 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 177.6 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | F1097 I1171 L1172 D1173 A1179 | F1097-S1175 VanDerWaalsContact CD2-CA 3.46Å; I1171-S1175 PolarHBondContact O-N 2.97Å; L1172-S1175 PolarHBondContact O-N 2.66Å; L1172-S1175 VanDerWaalsContact O-N 3.12Å; L1172-S1175 PolarHBondContact O-OG 3.21Å; D1173-S1175 PolarHBondContact O-N 3.15Å; S1175-A1179 WeakPolarHBondContact O-CB 3.27Å; S1175-A1179 PolarHBondContact O-N 3.2Å |
| 1176 | W | 96.7 | Very high | 94.9 | Very high | 121 Ų | 121 | 34.2 Ų | 34.2 | 46% | 0.458 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.8 | -50.9 | 172.4 | 167.1 | -98.1 | 0 | 0 | 0 | 111.6 | L1172 D1173 A1178 A1179 V1180 A1281 P1284 | L1172-W1176 PolarHBondContact O-N 3.25Å; D1173-W1176 PolarHBondContact O-N 2.97Å; W1176-A1178 VanDerWaalsContact C-N 3.29Å; W1176-A1178 PolarHBondContact O-N 2.9Å; W1176-A1179 PolarHBondContact O-N 3.24Å; W1176-A1179 VanDerWaalsContact O-N 3.11Å; W1176-V1180 HydrophobicContact CD2-CG2 3.98Å; W1176-V1180 VanDerWaalsContact CE2-CG2 3.46Å; W1176-V1180 HydrophobicContact CE3-CG2 4.42Å; W1176-V1180 HydrophobicContact CH2-CG2 4Å; W1176-V1180 HydrophobicContact CZ2-CG2 3.49Å; W1176-V1180 VanDerWaalsContact CZ2-CG2 3.49Å; W1176-V1180 HydrophobicContact CZ3-CG2 4.44Å; W1176-V1180 WeakPolarHBondContact O-CG2 3.41Å; W1176-V1180 PolarHBondContact O-N 2.74Å; W1176-A1281 PolarHBondContact NE1-O 3.07Å; W1176-P1284 HydrophobicContact CZ2-CG 4.1Å |
| 1177 | Q | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -35 | -176.5 | -65.6 | -171.4 | 46.4 | 0 | 0 | 111.7 | Y1090 D1173 A1174 I1181 C1210 A1281 | Y1090-Q1177 PolarHBondContact OH-OE1 2.93Å; D1173-Q1177 WeakPolarHBondContact O-CG 3.43Å; D1173-Q1177 PolarHBondContact O-N 3.2Å; D1173-Q1177 PolarHBondContact OD1-NE2 2.72Å; A1174-Q1177 PolarHBondContact O-N 3.13Å; Q1177-I1181 WeakPolarHBondContact O-CD1 3.31Å; Q1177-I1181 VanDerWaalsContact O-CG1 3.25Å; Q1177-I1181 WeakPolarHBondContact O-CG1 3.22Å; Q1177-I1181 PolarHBondContact O-N 2.77Å; Q1177-I1181 VanDerWaalsContact O-N 3.09Å; Q1177-C1210 PolarHBondContact OE1-SG 3.26Å; Q1177-A1281 HydrophobicContact CB-CB 4.06Å; Q1177-A1281 HydrophobicContact CG-CB 4.02Å; Q1177-A1281 WeakPolarHBondContact CG-O 3.24Å |
| 1178 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1094 F1097 L1098 F1101 A1174 W1176 V1180 I1181 F1182 | V1094-A1178 HydrophobicContact CG1-CB 4.06Å; V1094-A1178 WeakPolarHBondContact O-CB 3.48Å; F1097-A1178 HydrophobicContact CB-CB 3.48Å; F1097-A1178 VanDerWaalsContact CB-CB 3.48Å; L1098-A1178 HydrophobicContact CB-CB 4.36Å; L1098-A1178 WeakPolarHBondContact CD1-O 3.48Å; F1101-A1178 HydrophobicContact CD2-CB 4.34Å; F1101-A1178 HydrophobicContact CE2-CB 4.1Å; A1174-A1178 WeakPolarHBondContact O-CB 3.38Å; A1174-A1178 PolarHBondContact O-N 2.84Å; W1176-A1178 VanDerWaalsContact C-N 3.29Å; W1176-A1178 PolarHBondContact O-N 2.9Å; A1178-V1180 PolarHBondContact O-N 3.28Å; A1178-I1181 PolarHBondContact O-N 2.87Å; A1178-F1182 VanDerWaalsContact O-CB 3.29Å; A1178-F1182 WeakPolarHBondContact O-CB 3.39Å; A1178-F1182 PolarHBondContact O-N 3.15Å |
| 1179 | A | 96.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 28% | 0.281 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1101 S1175 W1176 F1182 A1183 | F1101-A1179 HydrophobicContact CD2-CB 4.22Å; F1101-A1179 HydrophobicContact CE2-CB 3.65Å; F1101-A1179 HydrophobicContact CZ-CB 3.98Å; S1175-A1179 WeakPolarHBondContact O-CB 3.27Å; S1175-A1179 PolarHBondContact O-N 3.2Å; W1176-A1179 PolarHBondContact O-N 3.24Å; W1176-A1179 VanDerWaalsContact O-N 3.11Å; A1179-F1182 PolarHBondContact O-N 3.2Å; A1179-A1183 VanDerWaalsContact O-CB 3.28Å; A1179-A1183 WeakPolarHBondContact O-CB 3.45Å; A1179-A1183 PolarHBondContact O-N 2.84Å |
| 1180 | V | 97.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 11% | 0.109 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 177.6 | 173 | 0 | 0 | 0 | 0 | 111.8 | W1176 A1178 F1182 A1183 I1184 A1280 A1281 | W1176-V1180 HydrophobicContact CD2-CG2 3.98Å; W1176-V1180 VanDerWaalsContact CE2-CG2 3.46Å; W1176-V1180 HydrophobicContact CE3-CG2 4.42Å; W1176-V1180 HydrophobicContact CH2-CG2 4Å; W1176-V1180 HydrophobicContact CZ2-CG2 3.49Å; W1176-V1180 VanDerWaalsContact CZ2-CG2 3.49Å; W1176-V1180 HydrophobicContact CZ3-CG2 4.44Å; W1176-V1180 WeakPolarHBondContact O-CG2 3.41Å; W1176-V1180 PolarHBondContact O-N 2.74Å; A1178-V1180 PolarHBondContact O-N 3.28Å; V1180-F1182 VanDerWaalsContact C-N 3.34Å; V1180-F1182 PolarHBondContact O-N 3.23Å; V1180-A1183 PolarHBondContact O-N 3.12Å; V1180-I1184 HydrophobicContact CG1-CD1 3.65Å; V1180-I1184 WeakPolarHBondContact O-CG1 3.31Å; V1180-I1184 PolarHBondContact O-N 3.43Å; V1180-A1280 HydrophobicContact CG1-CB 3.72Å; V1180-A1281 HydrophobicContact CB-CB 4.38Å; V1180-A1281 HydrophobicContact CG1-CB 4.18Å |
| 1181 | I | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 176.9 | -68.1 | 166.5 | 0 | 0 | 0 | 110.5 | V1094 L1098 Q1177 A1178 A1185 C1206 C1210 A1281 | V1094-I1181 HydrophobicContact CG1-CD1 4.45Å; L1098-I1181 HydrophobicContact CD1-CB 4.02Å; L1098-I1181 HydrophobicContact CD1-CG2 3.74Å; Q1177-I1181 WeakPolarHBondContact O-CD1 3.31Å; Q1177-I1181 VanDerWaalsContact O-CG1 3.25Å; Q1177-I1181 WeakPolarHBondContact O-CG1 3.22Å; Q1177-I1181 PolarHBondContact O-N 2.77Å; Q1177-I1181 VanDerWaalsContact O-N 3.09Å; A1178-I1181 PolarHBondContact O-N 2.87Å; I1181-A1185 VanDerWaalsContact O-CB 3.29Å; I1181-A1185 WeakPolarHBondContact O-CB 3.49Å; I1181-A1185 PolarHBondContact O-N 3.32Å; I1181-C1206 HydrophobicContact CD1-CB 4.47Å; I1181-C1206 HydrophobicContact CG1-CB 4.27Å; I1181-C1206 HydrophobicContact CG2-CB 3.61Å; I1181-C1210 HydrophobicContact CD1-CB 4.04Å; I1181-A1281 HydrophobicContact CG1-CB 4.44Å |
| 1182 | F | 95.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 178.2 | -178.6 | -103.4 | 0 | 0 | 0 | 112.4 | L1098 F1101 F1102 F1105 I1113 A1178 A1179 V1180 A1185 T1186 | L1098-F1182 HydrophobicContact CD1-CB 3.89Å; F1101-F1182 HydrophobicContact CB-CB 4.48Å; F1101-F1182 HydrophobicContact CB-CD1 3.82Å; F1101-F1182 HydrophobicContact CB-CD2 4.49Å; F1101-F1182 HydrophobicContact CB-CE1 4.21Å; F1101-F1182 HydrophobicContact CB-CG 3.98Å; F1102-F1182 HydrophobicContact CB-CE2 3.83Å; F1102-F1182 HydrophobicContact CB-CZ 4.44Å; F1102-F1182 HydrophobicContact CD2-CE2 4.09Å; F1102-F1182 HydrophobicContact CG-CE2 4.47Å; F1105-F1182 AromaticContact CD2-CE1 3.86Å; F1105-F1182 HydrophobicContact CD2-CE1 3.86Å; F1105-F1182 AromaticContact CD2-CZ 3.56Å; F1105-F1182 HydrophobicContact CD2-CZ 3.56Å; F1105-F1182 AromaticContact CE2-CE1 3.51Å; F1105-F1182 HydrophobicContact CE2-CE1 3.51Å; F1105-F1182 AromaticContact CE2-CZ 3.69Å; F1105-F1182 HydrophobicContact CE2-CZ 3.69Å; F1105-F1182 HydrophobicContact CG-CZ 4.08Å; F1105-F1182 HydrophobicContact CZ-CE1 4.07Å; F1105-F1182 HydrophobicContact CZ-CZ 4.28Å; I1113-F1182 HydrophobicContact CD1-CD2 4.17Å; I1113-F1182 HydrophobicContact CD1-CE2 3.97Å; A1178-F1182 VanDerWaalsContact O-CB 3.29Å; A1178-F1182 WeakPolarHBondContact O-CB 3.39Å; A1178-F1182 PolarHBondContact O-N 3.15Å; A1179-F1182 PolarHBondContact O-N 3.2Å; V1180-F1182 VanDerWaalsContact C-N 3.34Å; V1180-F1182 PolarHBondContact O-N 3.23Å; F1182-A1185 PolarHBondContact O-N 3.37Å; F1182-T1186 WeakPolarHBondContact O-CB 3.4Å; F1182-T1186 PolarHBondContact O-N 3.48Å; F1182-T1186 PolarHBondContact O-OG1 3.35Å |
| 1183 | A | 95.5 | Very high | 93 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1179 V1180 T1186 M1187 | A1179-A1183 VanDerWaalsContact O-CB 3.28Å; A1179-A1183 WeakPolarHBondContact O-CB 3.45Å; A1179-A1183 PolarHBondContact O-N 2.84Å; V1180-A1183 PolarHBondContact O-N 3.12Å; A1183-T1186 PolarHBondContact O-N 3.12Å; A1183-M1187 WeakPolarHBondContact O-CG 3.41Å; A1183-M1187 PolarHBondContact O-N 3.42Å |
| 1184 | I | 95.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.4 | -37.5 | -179 | -65.6 | 167.3 | 0 | 0 | 0 | 111.4 | V1180 M1187 F1188 T1273 L1276 S1277 A1280 | V1180-I1184 HydrophobicContact CG1-CD1 3.65Å; V1180-I1184 WeakPolarHBondContact O-CG1 3.31Å; V1180-I1184 PolarHBondContact O-N 3.43Å; I1184-M1187 PolarHBondContact O-N 2.89Å; I1184-F1188 PolarHBondContact O-N 3.48Å; I1184-T1273 HydrophobicContact CG2-CG2 3.86Å; I1184-L1276 HydrophobicContact CD1-CG 4.37Å; I1184-L1276 HydrophobicContact CG2-CD2 4.46Å; I1184-S1277 VanDerWaalsContact CG2-OG 3.24Å; I1184-S1277 WeakPolarHBondContact CG2-OG 3.34Å; I1184-A1280 HydrophobicContact CD1-CB 3.94Å |
| 1185 | A | 93 | Very high | 92 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1181 F1182 F1188 G1189 M1199 L1202 T1203 | I1181-A1185 VanDerWaalsContact O-CB 3.29Å; I1181-A1185 WeakPolarHBondContact O-CB 3.49Å; I1181-A1185 PolarHBondContact O-N 3.32Å; F1182-A1185 PolarHBondContact O-N 3.37Å; A1185-F1188 WeakPolarHBondContact O-CB 2.98Å; A1185-F1188 PolarHBondContact O-N 3.21Å; A1185-G1189 PolarHBondContact O-N 2.92Å; A1185-G1189 VanDerWaalsContact O-N 3.16Å; A1185-M1199 HydrophobicContact CB-CE 4.07Å; A1185-L1202 HydrophobicContact CB-CD2 4.15Å; A1185-T1203 HydrophobicContact CB-CG2 3.59Å |
| 1186 | T | 91.5 | Very high | 91.5 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | F1105 F1182 A1183 F1188 G1189 Y1190 | F1105-T1186 HydrophobicContact CE1-CG2 4Å; F1105-T1186 HydrophobicContact CZ-CG2 4.41Å; F1182-T1186 WeakPolarHBondContact O-CB 3.4Å; F1182-T1186 PolarHBondContact O-N 3.48Å; F1182-T1186 PolarHBondContact O-OG1 3.35Å; A1183-T1186 PolarHBondContact O-N 3.12Å; T1186-F1188 VanDerWaalsContact C-N 3.3Å; T1186-F1188 PolarHBondContact O-N 3.32Å; T1186-G1189 PolarHBondContact O-N 3.37Å; T1186-Y1190 PolarHBondContact O-N 3.21Å |
| 1187 | M | 91.5 | Very high | 91.1 | Very high | 139 Ų | 139 | 52 Ų | 52 | 69% | 0.685 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.4 | -28.8 | 173.7 | -70.5 | -60.2 | -58.9 | 0 | 0 | 113.2 | A1183 I1184 Y1190 | A1183-M1187 WeakPolarHBondContact O-CG 3.41Å; A1183-M1187 PolarHBondContact O-N 3.42Å; I1184-M1187 PolarHBondContact O-N 2.89Å; M1187-Y1190 PolarHBondContact O-N 3.05Å |
| 1188 | F | 90.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 173.6 | 177.1 | -94.4 | 0 | 0 | 0 | 112.4 | I1184 A1185 T1186 Y1190 T1192 L1194 L1202 R1269 T1273 | I1184-F1188 PolarHBondContact O-N 3.48Å; A1185-F1188 WeakPolarHBondContact O-CB 2.98Å; A1185-F1188 PolarHBondContact O-N 3.21Å; T1186-F1188 VanDerWaalsContact C-N 3.3Å; T1186-F1188 PolarHBondContact O-N 3.32Å; F1188-Y1190 PolarHBondContact O-N 3.36Å; F1188-T1192 PolarHBondContact O-OG1 2.92Å; F1188-L1194 HydrophobicContact CD1-CD1 4.1Å; F1188-L1194 HydrophobicContact CD1-CD2 3.85Å; F1188-L1194 HydrophobicContact CE1-CD1 3.61Å; F1188-L1194 HydrophobicContact CE1-CD2 3.68Å; F1188-L1194 HydrophobicContact CE1-CG 4.3Å; F1188-L1202 HydrophobicContact CB-CD2 4.09Å; F1188-L1202 HydrophobicContact CD1-CD2 3.39Å; F1188-L1202 HydrophobicContact CE1-CD2 3.87Å; F1188-L1202 HydrophobicContact CG-CD2 3.8Å; F1188-R1269 HydrophobicContact CE2-CB 3.72Å; F1188-T1273 HydrophobicContact CB-CG2 3.89Å; F1188-T1273 HydrophobicContact CD2-CG2 3.91Å; F1188-T1273 WeakPolarHBondContact CD2-OG1 3.15Å; F1188-T1273 HydrophobicContact CG-CG2 4.09Å |
| 1189 | G | 85.5 | Confident | 90.6 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.2 | -11.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1185 T1186 G1191 T1192 | A1185-G1189 PolarHBondContact O-N 2.92Å; A1185-G1189 VanDerWaalsContact O-N 3.16Å; T1186-G1189 PolarHBondContact O-N 3.37Å; G1189-G1191 PolarHBondContact O-N 2.89Å; G1189-G1191 VanDerWaalsContact O-N 3.14Å; G1189-T1192 WeakPolarHBondContact CA-OG1 3.22Å; G1189-T1192 PolarHBondContact O-N 3.19Å; G1189-T1192 PolarHBondContact O-OG1 3.5Å |
| 1190 | Y | 87.8 | Confident | 90.4 | Very high | 191 Ų | 191 | 52.1 Ų | 52.1 | 75% | 0.749 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 113 | -174.6 | -169.4 | -90.3 | 0 | 0 | 0 | 111.9 | T1186 M1187 F1188 | T1186-Y1190 PolarHBondContact O-N 3.21Å; M1187-Y1190 PolarHBondContact O-N 3.05Å; F1188-Y1190 PolarHBondContact O-N 3.36Å |
| 1191 | G | 85.1 | Confident | 90.2 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 81% | 0.814 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 23.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1189 | G1189-G1191 PolarHBondContact O-N 2.89Å; G1189-G1191 VanDerWaalsContact O-N 3.14Å |
| 1192 | T | 87 | Confident | 90.2 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -130.2 | 148 | 172.7 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | F1188 G1189 L1194 | F1188-T1192 PolarHBondContact O-OG1 2.92Å; G1189-T1192 WeakPolarHBondContact CA-OG1 3.22Å; G1189-T1192 PolarHBondContact O-N 3.19Å; G1189-T1192 PolarHBondContact O-OG1 3.5Å; T1192-L1194 PolarHBondContact O-N 3.49Å |
| 1193 | D | 83.9 | Confident | 90.1 | Very high | 163 Ų | 163 | 50.4 Ų | 50.4 | 87% | 0.872 | 29% | 0.285 | S | S | * | . | trans | -78.8 | 58.5 | 179.6 | -55.4 | -50.2 | 0 | 0 | 0 | 111.6 | ||||
| 1194 | L | 84.3 | Confident | 90.1 | Very high | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | trans | -84 | 129.3 | 179.3 | -119.1 | 93.1 | 0 | 0 | 0 | 111.6 | F1188 T1192 E1198 M1199 | F1188-L1194 HydrophobicContact CD1-CD1 4.1Å; F1188-L1194 HydrophobicContact CD1-CD2 3.85Å; F1188-L1194 HydrophobicContact CE1-CD1 3.61Å; F1188-L1194 HydrophobicContact CE1-CD2 3.68Å; F1188-L1194 HydrophobicContact CE1-CG 4.3Å; T1192-L1194 PolarHBondContact O-N 3.49Å; L1194-E1198 HydrophobicContact CD2-CB 3.83Å; L1194-E1198 HydrophobicContact CG-CB 3.96Å; L1194-M1199 HydrophobicContact CB-CG 4.49Å; L1194-M1199 HydrophobicContact CD2-CG 3.88Å; L1194-M1199 HydrophobicContact CD2-SD 3.59Å; L1194-M1199 VanDerWaalsContact CD2-SD 3.59Å | ||
| 1195 | N | 86.7 | Confident | 90 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | trans | -87.2 | 168.9 | 175.1 | 72.9 | 41.5 | 0 | 0 | 0 | 112.8 | C1197 E1198 M1199 | N1195-C1197 VanDerWaalsContact C-N 3.27Å; N1195-C1197 PolarHBondContact O-N 3.31Å; N1195-C1197 WeakPolarHBondContact OD1-CA 3.29Å; N1195-C1197 VanDerWaalsContact OD1-CB 3.3Å; N1195-C1197 WeakPolarHBondContact OD1-CB 3.48Å; N1195-C1197 PolarHBondContact OD1-N 2.82Å; N1195-E1198 PolarHBondContact N-OE2 2.87Å; N1195-E1198 PolarHBondContact ND2-OE2 3.46Å; N1195-E1198 PolarHBondContact O-N 2.97Å; N1195-E1198 WeakPolarHBondContact OD1-CG 3.42Å; N1195-E1198 PolarHBondContact OD1-N 3.26Å; N1195-M1199 PolarHBondContact O-N 3.32Å | ||
| 1196 | M | 86.9 | Confident | 90.2 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 47% | 0.473 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -29 | -177.8 | -169.7 | 170.4 | 64.8 | 0 | 0 | 113 | Q1111 S1200 | Q1111-M1196 HydrophobicContact CG-SD 4.15Å; M1196-S1200 VanDerWaalsContact O-CB 3.3Å; M1196-S1200 WeakPolarHBondContact O-CB 3.37Å; M1196-S1200 PolarHBondContact O-N 2.87Å |
| 1197 | C | 88.9 | Confident | 90.4 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.6 | -38.4 | 175.8 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | N1195 S1200 F1201 P1257 V1260 | N1195-C1197 VanDerWaalsContact C-N 3.27Å; N1195-C1197 PolarHBondContact O-N 3.31Å; N1195-C1197 WeakPolarHBondContact OD1-CA 3.29Å; N1195-C1197 VanDerWaalsContact OD1-CB 3.3Å; N1195-C1197 WeakPolarHBondContact OD1-CB 3.48Å; N1195-C1197 PolarHBondContact OD1-N 2.82Å; C1197-S1200 PolarHBondContact O-N 3.25Å; C1197-F1201 WeakPolarHBondContact O-CB 3.45Å; C1197-F1201 PolarHBondContact O-N 2.91Å; C1197-P1257 HydrophobicContact CB-CB 4.02Å; C1197-V1260 HydrophobicContact CB-CG1 4.43Å; C1197-V1260 HydrophobicContact CB-CG2 4.09Å |
| 1198 | E | 91.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -45.1 | 175 | -72.2 | 164.3 | 160.4 | 0 | 0 | 111.1 | L1194 N1195 S1200 F1201 L1202 V1260 R1263 M1264 | L1194-E1198 HydrophobicContact CD2-CB 3.83Å; L1194-E1198 HydrophobicContact CG-CB 3.96Å; N1195-E1198 PolarHBondContact N-OE2 2.87Å; N1195-E1198 PolarHBondContact ND2-OE2 3.46Å; N1195-E1198 PolarHBondContact O-N 2.97Å; N1195-E1198 WeakPolarHBondContact OD1-CG 3.42Å; N1195-E1198 PolarHBondContact OD1-N 3.26Å; E1198-S1200 VanDerWaalsContact C-N 3.34Å; E1198-S1200 PolarHBondContact O-N 3.31Å; E1198-F1201 PolarHBondContact O-N 3.18Å; E1198-L1202 WeakPolarHBondContact O-CB 3.41Å; E1198-L1202 PolarHBondContact O-N 3.04Å; E1198-V1260 HydrophobicContact CB-CG1 4.36Å; E1198-V1260 HydrophobicContact CG-CB 4.4Å; E1198-V1260 HydrophobicContact CG-CG1 3.64Å; E1198-V1260 HydrophobicContact CG-CG2 4.06Å; E1198-R1263 VanDerWaalsContact OE1-CD 3.31Å; E1198-R1263 WeakPolarHBondContact OE1-CD 3.25Å; E1198-R1263 IonicContact OE1-CZ 2.71Å; E1198-R1263 IonicContact OE1-NE 3.53Å; E1198-R1263 IonicContact OE1-NH1 2.76Å; E1198-R1263 PolarHBondContact OE1-NH1 3.42Å; E1198-R1263 IonicContact OE2-NH1 3.35Å; E1198-M1264 HydrophobicContact CB-CE 4.44Å; E1198-M1264 HydrophobicContact CB-CG 4.46Å; E1198-M1264 HydrophobicContact CB-SD 4.05Å; E1198-M1264 HydrophobicContact CG-CE 4.07Å; E1198-M1264 HydrophobicContact CG-CG 4.18Å; E1198-M1264 HydrophobicContact CG-SD 4.14Å |
| 1199 | M | 91.6 | Very high | 90.8 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 171.1 | -73.8 | -63.3 | -67.4 | 0 | 0 | 112.1 | I1113 A1185 L1194 N1195 T1203 | I1113-M1199 HydrophobicContact CD1-CE 4.45Å; A1185-M1199 HydrophobicContact CB-CE 4.07Å; L1194-M1199 HydrophobicContact CB-CG 4.49Å; L1194-M1199 HydrophobicContact CD2-CG 3.88Å; L1194-M1199 HydrophobicContact CD2-SD 3.59Å; L1194-M1199 VanDerWaalsContact CD2-SD 3.59Å; N1195-M1199 PolarHBondContact O-N 3.32Å; M1199-T1203 WeakPolarHBondContact O-CB 3.36Å; M1199-T1203 VanDerWaalsContact O-CG2 3.32Å; M1199-T1203 WeakPolarHBondContact O-CG2 3.28Å; M1199-T1203 PolarHBondContact O-N 3.34Å; M1199-T1203 PolarHBondContact O-OG1 3.11Å |
| 1200 | S | 92.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 174.5 | 176 | 0 | 0 | 0 | 0 | 112.4 | I1113 I1114 D1115 M1196 C1197 E1198 T1203 M1204 | I1113-S1200 VanDerWaalsContact O-CA 3.28Å; I1113-S1200 WeakPolarHBondContact O-CA 3.47Å; I1113-S1200 VanDerWaalsContact O-CB 3.24Å; I1113-S1200 WeakPolarHBondContact O-CB 3.48Å; I1114-S1200 WeakPolarHBondContact CA-OG 3.45Å; D1115-S1200 PolarHBondContact N-OG 3.37Å; M1196-S1200 VanDerWaalsContact O-CB 3.3Å; M1196-S1200 WeakPolarHBondContact O-CB 3.37Å; M1196-S1200 PolarHBondContact O-N 2.87Å; C1197-S1200 PolarHBondContact O-N 3.25Å; E1198-S1200 VanDerWaalsContact C-N 3.34Å; E1198-S1200 PolarHBondContact O-N 3.31Å; S1200-T1203 PolarHBondContact O-OG1 2.92Å; S1200-M1204 WeakPolarHBondContact O-CB 3.25Å; S1200-M1204 PolarHBondContact O-N 3.42Å |
| 1201 | F | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.4 | -50.1 | 179.7 | -179.6 | -108.9 | 0 | 0 | 0 | 110.7 | Y1118 C1197 E1198 T1203 M1204 S1205 F1237 Y1238 V1260 A1261 M1264 L1265 Y1270 | Y1118-F1201 HydrophobicContact CE2-CD2 4.34Å; C1197-F1201 WeakPolarHBondContact O-CB 3.45Å; C1197-F1201 PolarHBondContact O-N 2.91Å; E1198-F1201 PolarHBondContact O-N 3.18Å; F1201-T1203 PolarHBondContact O-N 3Å; F1201-M1204 PolarHBondContact O-N 3.46Å; F1201-S1205 WeakPolarHBondContact O-CB 3.36Å; F1201-S1205 PolarHBondContact O-N 2.63Å; F1201-S1205 PolarHBondContact O-OG 2.78Å; F1201-S1205 VanDerWaalsContact O-OG 3.05Å; F1201-F1237 HydrophobicContact CD2-CZ 4.42Å; F1201-F1237 HydrophobicContact CE2-CE1 4.47Å; F1201-F1237 HydrophobicContact CE2-CZ 4.08Å; F1201-Y1238 HydrophobicContact CZ-CD1 4.28Å; F1201-Y1238 HydrophobicContact CZ-CE1 4.33Å; F1201-V1260 HydrophobicContact CB-CG1 4.16Å; F1201-A1261 HydrophobicContact CD2-CB 4.27Å; F1201-A1261 HydrophobicContact CE1-CB 4.49Å; F1201-A1261 HydrophobicContact CE2-CB 3.85Å; F1201-A1261 HydrophobicContact CZ-CB 3.96Å; F1201-M1264 HydrophobicContact CD1-CB 3.54Å; F1201-M1264 HydrophobicContact CD1-CG 3.9Å; F1201-M1264 HydrophobicContact CE1-CB 3.65Å; F1201-M1264 HydrophobicContact CE1-CG 4.5Å; F1201-L1265 HydrophobicContact CE1-CD2 4.37Å; F1201-L1265 HydrophobicContact CE1-CG 4.16Å; F1201-L1265 HydrophobicContact CZ-CD1 4.29Å; F1201-L1265 HydrophobicContact CZ-CD2 4.16Å; F1201-L1265 HydrophobicContact CZ-CG 4Å; F1201-Y1270 AromaticContact CD1-CE2 3.9Å; F1201-Y1270 HydrophobicContact CD1-CE2 3.9Å; F1201-Y1270 HydrophobicContact CE1-CD2 4.49Å; F1201-Y1270 AromaticContact CE1-CE2 3.65Å; F1201-Y1270 HydrophobicContact CE1-CE2 3.65Å; F1201-Y1270 AromaticContact CE1-CZ 3.8Å |
| 1202 | L | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.5 | -51.3 | 176.4 | 174.1 | 62.5 | 0 | 0 | 0 | 112 | A1185 F1188 E1198 S1205 C1206 Y1270 T1273 V1274 | A1185-L1202 HydrophobicContact CB-CD2 4.15Å; F1188-L1202 HydrophobicContact CB-CD2 4.09Å; F1188-L1202 HydrophobicContact CD1-CD2 3.39Å; F1188-L1202 HydrophobicContact CE1-CD2 3.87Å; F1188-L1202 HydrophobicContact CG-CD2 3.8Å; E1198-L1202 WeakPolarHBondContact O-CB 3.41Å; E1198-L1202 PolarHBondContact O-N 3.04Å; L1202-S1205 WeakPolarHBondContact O-CB 3.21Å; L1202-S1205 PolarHBondContact O-N 3.36Å; L1202-C1206 PolarHBondContact O-N 3.1Å; L1202-C1206 PolarHBondContact O-SG 3.47Å; L1202-C1206 VanDerWaalsContact O-SG 3.35Å; L1202-Y1270 HydrophobicContact CD1-CD2 3.87Å; L1202-Y1270 HydrophobicContact CD1-CE2 4.12Å; L1202-T1273 HydrophobicContact CD1-CG2 4.15Å; L1202-T1273 HydrophobicContact CD2-CG2 4.29Å; L1202-V1274 HydrophobicContact CD1-CG2 3.71Å |
| 1203 | T | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | -177.4 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | I1113 A1185 M1199 S1200 F1201 L1207 | I1113-T1203 HydrophobicContact CD1-CG2 4.19Å; A1185-T1203 HydrophobicContact CB-CG2 3.59Å; M1199-T1203 WeakPolarHBondContact O-CB 3.36Å; M1199-T1203 VanDerWaalsContact O-CG2 3.32Å; M1199-T1203 WeakPolarHBondContact O-CG2 3.28Å; M1199-T1203 PolarHBondContact O-N 3.34Å; M1199-T1203 PolarHBondContact O-OG1 3.11Å; S1200-T1203 PolarHBondContact O-OG1 2.92Å; F1201-T1203 PolarHBondContact O-N 3Å; T1203-L1207 VanDerWaalsContact O-CB 3.24Å; T1203-L1207 WeakPolarHBondContact O-CB 3.33Å; T1203-L1207 PolarHBondContact O-N 3.09Å |
| 1204 | M | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 172.6 | 179.7 | 52.3 | 68.9 | 0 | 0 | 112 | M1095 I1114 Y1118 F1122 F1126 S1200 F1201 L1207 N1208 F1237 | M1095-M1204 HydrophobicContact SD-CE 4.17Å; I1114-M1204 HydrophobicContact CD1-CE 3.92Å; I1114-M1204 HydrophobicContact CG2-CE 3.54Å; Y1118-M1204 HydrophobicContact CG-CG 4.33Å; F1122-M1204 HydrophobicContact CB-CE 4.11Å; F1122-M1204 HydrophobicContact CB-SD 4.43Å; F1122-M1204 HydrophobicContact CD2-CE 4.19Å; F1122-M1204 HydrophobicContact CD2-SD 3.66Å; F1122-M1204 HydrophobicContact CE2-SD 4.37Å; F1122-M1204 HydrophobicContact CG-CE 4.39Å; F1122-M1204 HydrophobicContact CG-SD 4.4Å; F1126-M1204 HydrophobicContact CD2-SD 4.47Å; S1200-M1204 WeakPolarHBondContact O-CB 3.25Å; S1200-M1204 PolarHBondContact O-N 3.42Å; F1201-M1204 PolarHBondContact O-N 3.46Å; M1204-L1207 HydrophobicContact CE-CD2 4Å; M1204-L1207 PolarHBondContact O-N 3.19Å; M1204-L1207 HydrophobicContact SD-CD2 4.08Å; M1204-N1208 WeakPolarHBondContact O-CB 3.39Å; M1204-N1208 PolarHBondContact O-N 3.49Å; M1204-F1237 HydrophobicContact CB-CE2 4.5Å; M1204-F1237 HydrophobicContact CG-CE2 3.58Å; M1204-F1237 HydrophobicContact CG-CZ 4Å |
| 1205 | S | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 174.3 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | F1201 L1202 L1209 F1237 Y1270 | F1201-S1205 WeakPolarHBondContact O-CB 3.36Å; F1201-S1205 PolarHBondContact O-N 2.63Å; F1201-S1205 PolarHBondContact O-OG 2.78Å; F1201-S1205 VanDerWaalsContact O-OG 3.05Å; L1202-S1205 WeakPolarHBondContact O-CB 3.21Å; L1202-S1205 PolarHBondContact O-N 3.36Å; S1205-L1209 WeakPolarHBondContact O-CB 3.31Å; S1205-L1209 PolarHBondContact O-N 3.42Å; S1205-F1237 VanDerWaalsContact OG-CE1 3.25Å; S1205-F1237 WeakPolarHBondContact OG-CE1 3.41Å; S1205-F1237 WeakPolarHBondContact OG-CZ 3.34Å; S1205-Y1270 VanDerWaalsContact CB-OH 3.23Å; S1205-Y1270 WeakPolarHBondContact CB-OH 3.39Å; S1205-Y1270 PolarHBondContact OG-OH 3.16Å |
| 1206 | C | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.4 | -49.1 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | I1181 L1202 N1208 C1210 S1277 | I1181-C1206 HydrophobicContact CD1-CB 4.47Å; I1181-C1206 HydrophobicContact CG1-CB 4.27Å; I1181-C1206 HydrophobicContact CG2-CB 3.61Å; L1202-C1206 PolarHBondContact O-N 3.1Å; L1202-C1206 PolarHBondContact O-SG 3.47Å; L1202-C1206 VanDerWaalsContact O-SG 3.35Å; C1206-N1208 PolarHBondContact O-N 3.38Å; C1206-C1210 WeakPolarHBondContact O-CB 3.43Å; C1206-C1210 PolarHBondContact O-N 2.92Å; C1206-S1277 VanDerWaalsContact SG-CB 3.57Å |
| 1207 | L | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.2 | -49.7 | 179.1 | 171.9 | 65.4 | 0 | 0 | 0 | 112 | V1094 M1095 I1114 F1122 T1203 M1204 C1211 | V1094-L1207 HydrophobicContact CB-CD1 3.81Å; V1094-L1207 HydrophobicContact CG1-CD1 3.46Å; V1094-L1207 VanDerWaalsContact CG1-CD1 3.46Å; M1095-L1207 HydrophobicContact CB-CD1 4.45Å; M1095-L1207 HydrophobicContact CB-CD2 3.86Å; M1095-L1207 HydrophobicContact CG-CD2 3.82Å; M1095-L1207 HydrophobicContact SD-CD2 3.89Å; I1114-L1207 HydrophobicContact CD1-CD2 4.07Å; F1122-L1207 HydrophobicContact CD2-CD2 4.24Å; F1122-L1207 HydrophobicContact CE2-CD2 3.91Å; F1122-L1207 HydrophobicContact CE2-CG 3.75Å; F1122-L1207 HydrophobicContact CZ-CD1 4.24Å; F1122-L1207 HydrophobicContact CZ-CD2 4.1Å; F1122-L1207 HydrophobicContact CZ-CG 3.95Å; T1203-L1207 VanDerWaalsContact O-CB 3.24Å; T1203-L1207 WeakPolarHBondContact O-CB 3.33Å; T1203-L1207 PolarHBondContact O-N 3.09Å; M1204-L1207 HydrophobicContact CE-CD2 4Å; M1204-L1207 PolarHBondContact O-N 3.19Å; M1204-L1207 HydrophobicContact SD-CD2 4.08Å; L1207-C1211 WeakPolarHBondContact O-CB 3.47Å; L1207-C1211 PolarHBondContact O-N 2.95Å; L1207-C1211 PolarHBondContact O-SG 3.49Å |
| 1208 | N | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.8 | -52.7 | -178.8 | -176.1 | 20.4 | 0 | 0 | 0 | 111 | F1126 M1204 C1206 C1210 C1211 Q1212 F1237 | F1126-N1208 PolarHBondContact O-OD1 3.32Å; M1204-N1208 WeakPolarHBondContact O-CB 3.39Å; M1204-N1208 PolarHBondContact O-N 3.49Å; C1206-N1208 PolarHBondContact O-N 3.38Å; N1208-C1210 VanDerWaalsContact C-N 3.33Å; N1208-C1210 PolarHBondContact O-N 3.3Å; N1208-C1211 PolarHBondContact O-N 3.4Å; N1208-C1211 VanDerWaalsContact O-N 3.13Å; N1208-Q1212 WeakPolarHBondContact O-CG 3.24Å; N1208-Q1212 PolarHBondContact O-N 2.89Å; N1208-Q1212 PolarHBondContact OD1-NE2 3.26Å; N1208-F1237 WeakPolarHBondContact ND2-CB 3.44Å; N1208-F1237 VanDerWaalsContact ND2-CG 3.33Å; N1208-F1237 WeakPolarHBondContact ND2-CG 3.21Å |
| 1209 | L | 95.2 | Very high | 93.9 | Very high | 18 Ų | 18 | 15.5 Ų | 15.5 | 9% | 0.094 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.6 | -45.4 | 177.7 | -83.3 | 160.4 | 0 | 0 | 0 | 112.2 | S1205 C1211 Q1212 F1213 L1234 V1274 V1278 | S1205-L1209 WeakPolarHBondContact O-CB 3.31Å; S1205-L1209 PolarHBondContact O-N 3.42Å; L1209-C1211 VanDerWaalsContact C-N 3.32Å; L1209-C1211 PolarHBondContact O-N 3.08Å; L1209-Q1212 PolarHBondContact O-N 2.9Å; L1209-F1213 HydrophobicContact CD2-CD2 4.31Å; L1209-F1213 HydrophobicContact CD2-CE2 3.8Å; L1209-F1213 VanDerWaalsContact O-CD2 3.29Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.41Å; L1209-F1213 PolarHBondContact O-N 3.2Å; L1209-L1234 HydrophobicContact CD2-CD1 3.51Å; L1209-L1234 HydrophobicContact CD2-CD2 3.87Å; L1209-L1234 HydrophobicContact CD2-CG 4.37Å; L1209-L1234 HydrophobicContact CG-CD1 3.93Å; L1209-V1274 HydrophobicContact CD1-CG1 3.28Å; L1209-V1278 HydrophobicContact CB-CG2 3.68Å |
| 1210 | C | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 178.1 | -160.7 | 0 | 0 | 0 | 0 | 111.6 | Q1177 I1181 C1206 N1208 H1214 V1278 | Q1177-C1210 PolarHBondContact OE1-SG 3.26Å; I1181-C1210 HydrophobicContact CD1-CB 4.04Å; C1206-C1210 WeakPolarHBondContact O-CB 3.43Å; C1206-C1210 PolarHBondContact O-N 2.92Å; N1208-C1210 VanDerWaalsContact C-N 3.33Å; N1208-C1210 PolarHBondContact O-N 3.3Å; C1210-H1214 WeakPolarHBondContact O-CB 3.32Å; C1210-H1214 PolarHBondContact O-N 3.47Å; C1210-V1278 HydrophobicContact CB-CG2 4.38Å |
| 1211 | C | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 174.5 | -69 | 0 | 0 | 0 | 0 | 112.8 | Y1087 K1091 L1207 N1208 L1209 H1214 L1215 | Y1087-C1211 WeakPolarHBondContact CE2-O 3.31Å; Y1087-C1211 WeakPolarHBondContact OH-CB 3.36Å; Y1087-C1211 PolarHBondContact OH-O 2.65Å; Y1087-C1211 VanDerWaalsContact OH-O 3.1Å; K1091-C1211 HydrophobicContact CB-CB 4.36Å; L1207-C1211 WeakPolarHBondContact O-CB 3.47Å; L1207-C1211 PolarHBondContact O-N 2.95Å; L1207-C1211 PolarHBondContact O-SG 3.49Å; N1208-C1211 PolarHBondContact O-N 3.4Å; N1208-C1211 VanDerWaalsContact O-N 3.13Å; L1209-C1211 VanDerWaalsContact C-N 3.32Å; L1209-C1211 PolarHBondContact O-N 3.08Å; C1211-H1214 PolarHBondContact O-N 3Å; C1211-L1215 PolarHBondContact O-N 2.84Å; C1211-L1215 VanDerWaalsContact O-N 3.08Å |
| 1212 | Q | 94.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 177 | -64.4 | -55 | -28.4 | 0 | 0 | 111.7 | F1126 N1208 L1209 H1214 L1215 L1216 N1233 | F1126-Q1212 PolarHBondContact O-NE2 2.88Å; N1208-Q1212 WeakPolarHBondContact O-CG 3.24Å; N1208-Q1212 PolarHBondContact O-N 2.89Å; N1208-Q1212 PolarHBondContact OD1-NE2 3.26Å; L1209-Q1212 PolarHBondContact O-N 2.9Å; Q1212-H1214 PolarHBondContact O-N 3.43Å; Q1212-L1215 PolarHBondContact O-N 3.49Å; Q1212-L1216 WeakPolarHBondContact O-CB 3.45Å; Q1212-L1216 PolarHBondContact O-N 2.96Å; Q1212-N1233 PolarHBondContact NE2-ND2 3.04Å |
| 1213 | F | 95 | Very high | 92.6 | Very high | 91 Ų | 91 | 30.2 Ų | 30.2 | 40% | 0.399 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.4 | -33.3 | 178 | -78.8 | -64.4 | 0 | 0 | 0 | 112.6 | L1209 L1215 L1216 L1217 V1278 L1282 | L1209-F1213 HydrophobicContact CD2-CD2 4.31Å; L1209-F1213 HydrophobicContact CD2-CE2 3.8Å; L1209-F1213 VanDerWaalsContact O-CD2 3.29Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.41Å; L1209-F1213 PolarHBondContact O-N 3.2Å; F1213-L1215 PolarHBondContact O-N 3.11Å; F1213-L1216 HydrophobicContact CD1-CD2 4.03Å; F1213-L1216 HydrophobicContact CE1-CD2 4.17Å; F1213-L1216 PolarHBondContact O-N 3.14Å; F1213-L1217 WeakPolarHBondContact O-CB 3.29Å; F1213-L1217 VanDerWaalsContact O-CG 3.24Å; F1213-L1217 WeakPolarHBondContact O-CG 3.34Å; F1213-L1217 PolarHBondContact O-N 3.12Å; F1213-V1278 HydrophobicContact CD2-CG1 3.8Å; F1213-V1278 HydrophobicContact CE2-CG1 4.46Å; F1213-L1282 HydrophobicContact CB-CD1 3.53Å |
| 1214 | H | 95.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.032 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 171 | -165.3 | 126.6 | 0 | 0 | 0 | 111.8 | Y1090 D1173 C1210 C1211 Q1212 L1217 E1218 L1282 R1285 | Y1090-H1214 AromaticContact CD2-CE1 3.79Å; Y1090-H1214 HydrophobicContact CE1-CB 3.84Å; Y1090-H1214 AromaticContact CE1-CG 3.63Å; Y1090-H1214 AromaticContact CE1-ND1 3.51Å; Y1090-H1214 AromaticContact CE2-CE1 3.5Å; Y1090-H1214 VanDerWaalsContact CE2-CE1 3.5Å; Y1090-H1214 WeakPolarHBondContact CE2-CE1 3.49Å; Y1090-H1214 AromaticContact CE2-ND1 3.37Å; Y1090-H1214 WeakPolarHBondContact CE2-ND1 3.48Å; Y1090-H1214 AromaticContact CZ-CE1 3.65Å; Y1090-H1214 AromaticContact CZ-CG 3.66Å; Y1090-H1214 AromaticContact CZ-ND1 3.06Å; Y1090-H1214 PolarHBondContact OH-ND1 2.97Å; Y1090-H1214 VanDerWaalsContact OH-ND1 3.16Å; D1173-H1214 IonicContact OD2-CE1 2.74Å; C1210-H1214 WeakPolarHBondContact O-CB 3.32Å; C1210-H1214 PolarHBondContact O-N 3.47Å; C1211-H1214 PolarHBondContact O-N 3Å; Q1212-H1214 PolarHBondContact O-N 3.43Å; H1214-L1217 PolarHBondContact O-N 3.17Å; H1214-E1218 PolarHBondContact O-N 2.87Å; H1214-E1218 VanDerWaalsContact O-N 3.1Å; H1214-L1282 HydrophobicContact CB-CD2 4.01Å; H1214-R1285 PolarHBondContact NE2-NH2 2.98Å |
| 1215 | L | 94.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.9 | -38.8 | 178.1 | -171.6 | 66.6 | 0 | 0 | 0 | 112.4 | Y1087 P1130 P1131 F1134 C1211 Q1212 F1213 L1217 E1218 T1219 F1230 | Y1087-L1215 HydrophobicContact CD1-CD1 4.29Å; Y1087-L1215 HydrophobicContact CD2-CB 4.16Å; Y1087-L1215 HydrophobicContact CD2-CD1 3.97Å; Y1087-L1215 HydrophobicContact CE1-CD2 4.37Å; Y1087-L1215 HydrophobicContact CE2-CB 3.68Å; Y1087-L1215 HydrophobicContact CE2-CD1 4.29Å; Y1087-L1215 HydrophobicContact CE2-CG 4.45Å; Y1087-L1215 HydrophobicContact CG-CD1 3.96Å; P1130-L1215 HydrophobicContact CB-CD2 3.82Å; P1131-L1215 HydrophobicContact CB-CD2 4.4Å; P1131-L1215 HydrophobicContact CG-CD2 3.96Å; F1134-L1215 HydrophobicContact CB-CD1 4.43Å; F1134-L1215 HydrophobicContact CD1-CD1 4.37Å; F1134-L1215 HydrophobicContact CD2-CD1 4.06Å; F1134-L1215 HydrophobicContact CE2-CD1 4.39Å; F1134-L1215 HydrophobicContact CG-CD1 4.04Å; C1211-L1215 PolarHBondContact O-N 2.84Å; C1211-L1215 VanDerWaalsContact O-N 3.08Å; Q1212-L1215 PolarHBondContact O-N 3.49Å; F1213-L1215 PolarHBondContact O-N 3.11Å; L1215-L1217 VanDerWaalsContact C-N 3.3Å; L1215-L1217 PolarHBondContact O-N 3.43Å; L1215-E1218 PolarHBondContact O-N 3.32Å; L1215-E1218 VanDerWaalsContact O-N 3.15Å; L1215-T1219 PolarHBondContact O-N 2.96Å; L1215-T1219 PolarHBondContact O-OG1 2.74Å; L1215-F1230 HydrophobicContact CB-CE1 4.13Å; L1215-F1230 HydrophobicContact CB-CZ 4.16Å; L1215-F1230 HydrophobicContact CD2-CE1 4.11Å; L1215-F1230 HydrophobicContact CD2-CZ 3.96Å; L1215-F1230 HydrophobicContact CG-CE1 4.29Å; L1215-F1230 HydrophobicContact CG-CZ 3.94Å |
| 1216 | L | 93.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 44 Ų | 44 | 28% | 0.283 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.7 | -177.3 | 62.6 | 0 | 0 | 0 | 111.4 | Q1212 F1213 L1222 F1230 | Q1212-L1216 WeakPolarHBondContact O-CB 3.45Å; Q1212-L1216 PolarHBondContact O-N 2.96Å; F1213-L1216 HydrophobicContact CD1-CD2 4.03Å; F1213-L1216 HydrophobicContact CE1-CD2 4.17Å; F1213-L1216 PolarHBondContact O-N 3.14Å; L1216-L1222 HydrophobicContact CD1-CD1 3.81Å; L1216-L1222 HydrophobicContact CD1-CD2 4.33Å; L1216-F1230 HydrophobicContact CB-CD1 4.49Å; L1216-F1230 HydrophobicContact CB-CE1 4.05Å; L1216-F1230 HydrophobicContact CB-CE2 4.42Å; L1216-F1230 HydrophobicContact CB-CZ 4.01Å; L1216-F1230 HydrophobicContact CD1-CD2 3.9Å; L1216-F1230 HydrophobicContact CD1-CE2 3.82Å; L1216-F1230 HydrophobicContact CD1-CG 4.42Å; L1216-F1230 HydrophobicContact CD1-CZ 4.27Å |
| 1217 | L | 90.7 | Very high | 92.2 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.4 | -50.4 | 169.5 | -75.9 | 167.5 | 0 | 0 | 0 | 110.6 | F1213 H1214 L1215 T1219 L1282 I1286 R1289 | F1213-L1217 WeakPolarHBondContact O-CB 3.29Å; F1213-L1217 VanDerWaalsContact O-CG 3.24Å; F1213-L1217 WeakPolarHBondContact O-CG 3.34Å; F1213-L1217 PolarHBondContact O-N 3.12Å; H1214-L1217 PolarHBondContact O-N 3.17Å; L1215-L1217 VanDerWaalsContact C-N 3.3Å; L1215-L1217 PolarHBondContact O-N 3.43Å; L1217-T1219 VanDerWaalsContact C-N 3.26Å; L1217-T1219 PolarHBondContact O-N 3.24Å; L1217-L1282 HydrophobicContact CD1-CD1 4.45Å; L1217-L1282 HydrophobicContact CD1-CD2 4.42Å; L1217-I1286 HydrophobicContact CD1-CD1 4.26Å; L1217-I1286 HydrophobicContact CD1-CG1 3.82Å; L1217-I1286 HydrophobicContact CD2-CG1 4.36Å; L1217-R1289 PolarHBondContact O-NH1 3.15Å; L1217-R1289 PolarHBondContact O-NH2 3.01Å |
| 1218 | E | 88.2 | Confident | 92.1 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.3 | -21.8 | -176.5 | -73 | -59.1 | 171.4 | 0 | 0 | 115.4 | R1083 H1214 L1215 R1285 R1289 | R1083-E1218 PolarHBondContact NH1-O 2.94Å; H1214-E1218 PolarHBondContact O-N 2.87Å; H1214-E1218 VanDerWaalsContact O-N 3.1Å; L1215-E1218 PolarHBondContact O-N 3.32Å; L1215-E1218 VanDerWaalsContact O-N 3.15Å; E1218-R1285 IonicContact OE1-CZ 3.93Å; E1218-R1285 IonicContact OE1-NE 2.73Å; E1218-R1285 PolarHBondContact OE1-NE 2.87Å; E1218-R1285 IonicContact OE1-NH2 2.66Å; E1218-R1285 PolarHBondContact OE1-NH2 3.01Å; E1218-R1289 IonicContact OE1-NE 3.83Å; E1218-R1289 IonicContact OE2-CZ 3.4Å; E1218-R1289 IonicContact OE2-NE 2.7Å; E1218-R1289 PolarHBondContact OE2-NE 3.22Å; E1218-R1289 IonicContact OE2-NH2 3.77Å; E1218-R1289 PolarHBondContact OE2-NH2 2.69Å |
| 1219 | T | 89.6 | Confident | 92.1 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 9% | 0.092 | 25% | 0.25 | C | S | . | . | trans | -60.7 | 137.4 | 172.5 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | L1215 L1217 V1226 | L1215-T1219 PolarHBondContact O-N 2.96Å; L1215-T1219 PolarHBondContact O-OG1 2.74Å; L1217-T1219 VanDerWaalsContact C-N 3.26Å; L1217-T1219 PolarHBondContact O-N 3.24Å; T1219-V1226 HydrophobicContact CG2-CG1 4.38Å | ||
| 1220 | Q | 83.9 | Confident | 92.1 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 47% | 0.472 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -100.1 | -38 | 173.6 | -57.1 | -63.8 | -104.6 | 0 | 0 | 111.6 | E1138 | E1138-Q1220 WeakPolarHBondContact OE1-CB 3.47Å; E1138-Q1220 WeakPolarHBondContact OE1-CG 3.47Å; E1138-Q1220 PolarHBondContact OE1-N 3.47Å; E1138-Q1220 PolarHBondContact OE2-N 2.79Å |
| 1221 | K | 84.4 | Confident | 92 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | trans | -112.5 | 78.7 | -172 | -169.6 | 179.5 | 173.3 | 178.4 | 0 | 112.3 | E1138 E1139 T1223 | E1138-K1221 PolarHBondContact OE2-N 3.07Å; E1139-K1221 HydrophobicContact CB-CD 3.88Å; E1139-K1221 HydrophobicContact CG-CD 4.21Å; E1139-K1221 IonicContact OE1-NZ 3.61Å; E1139-K1221 PolarHBondContact OE1-NZ 3.42Å; E1139-K1221 WeakPolarHBondContact OE2-CD 3.43Å; E1139-K1221 IonicContact OE2-NZ 3.76Å; E1139-K1221 PolarHBondContact OE2-NZ 2.75Å; K1221-T1223 HydrophobicContact CD-CG2 4.44Å; K1221-T1223 HydrophobicContact CG-CG2 4.05Å; K1221-T1223 PolarHBondContact O-N 3.39Å | ||
| 1222 | L | 88.3 | Confident | 91.9 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | trans | -72.9 | 89.6 | 175 | -172 | 61.6 | 0 | 0 | 0 | 111.3 | L1216 V1226 A1227 | L1216-L1222 HydrophobicContact CD1-CD1 3.81Å; L1216-L1222 HydrophobicContact CD1-CD2 4.33Å; L1222-V1226 HydrophobicContact CD1-CB 4.36Å; L1222-V1226 HydrophobicContact CD1-CG1 3.98Å; L1222-A1227 HydrophobicContact CD1-CB 3.84Å; L1222-A1227 HydrophobicContact CG-CB 4.31Å | ||
| 1223 | T | 89.8 | Confident | 91.9 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | trans | -82.1 | 162.1 | 168.9 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | K1221 F1225 V1226 A1227 | K1221-T1223 HydrophobicContact CD-CG2 4.44Å; K1221-T1223 HydrophobicContact CG-CG2 4.05Å; K1221-T1223 PolarHBondContact O-N 3.39Å; T1223-F1225 PolarHBondContact O-N 3.15Å; T1223-V1226 PolarHBondContact O-N 2.9Å; T1223-V1226 WeakPolarHBondContact OG1-CG2 3.48Å; T1223-V1226 PolarHBondContact OG1-N 2.87Å; T1223-A1227 PolarHBondContact O-N 3.4Å | ||
| 1224 | L | 92.2 | Very high | 91.7 | Very high | 157 Ų | 157 | 58.4 Ų | 58.4 | 82% | 0.822 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -55.6 | -36.2 | 175.9 | -177 | 63 | 0 | 0 | 0 | 112.7 | S1228 | L1224-S1228 WeakPolarHBondContact O-CB 3.49Å; L1224-S1228 PolarHBondContact O-N 3.39Å; L1224-S1228 PolarHBondContact O-OG 2.89Å |
| 1225 | F | 93.4 | Very high | 91.5 | Very high | 119 Ų | 119 | 59.6 Ų | 59.6 | 52% | 0.522 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 175.2 | 175.9 | -100 | 0 | 0 | 0 | 112.8 | L1137 T1223 S1228 V1229 | L1137-F1225 HydrophobicContact CD1-CD1 3.89Å; L1137-F1225 HydrophobicContact CD1-CE1 3.8Å; T1223-F1225 PolarHBondContact O-N 3.15Å; F1225-S1228 PolarHBondContact O-OG 3.14Å; F1225-S1228 VanDerWaalsContact O-OG 3.11Å; F1225-V1229 HydrophobicContact CE1-CG2 4.25Å; F1225-V1229 HydrophobicContact CE2-CG2 4.33Å; F1225-V1229 HydrophobicContact CZ-CG2 4.07Å; F1225-V1229 WeakPolarHBondContact O-CG2 3.41Å; F1225-V1229 PolarHBondContact O-N 2.82Å; F1225-V1229 VanDerWaalsContact O-N 3.11Å |
| 1226 | V | 92.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | T1219 L1222 T1223 V1229 F1230 | T1219-V1226 HydrophobicContact CG2-CG1 4.38Å; L1222-V1226 HydrophobicContact CD1-CB 4.36Å; L1222-V1226 HydrophobicContact CD1-CG1 3.98Å; T1223-V1226 PolarHBondContact O-N 2.9Å; T1223-V1226 WeakPolarHBondContact OG1-CG2 3.48Å; T1223-V1226 PolarHBondContact OG1-N 2.87Å; V1226-V1229 PolarHBondContact O-N 2.96Å; V1226-F1230 HydrophobicContact CG1-CD2 4Å; V1226-F1230 HydrophobicContact CG1-CE2 3.81Å; V1226-F1230 VanDerWaalsContact O-CD2 3.31Å; V1226-F1230 WeakPolarHBondContact O-CD2 3.4Å; V1226-F1230 PolarHBondContact O-N 3.29Å; V1226-F1230 VanDerWaalsContact O-N 3.14Å |
| 1227 | A | 93.2 | Very high | 91.5 | Very high | 24 Ų | 24 | 59 Ų | 59 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1222 T1223 V1229 F1230 I1231 | L1222-A1227 HydrophobicContact CD1-CB 3.84Å; L1222-A1227 HydrophobicContact CG-CB 4.31Å; T1223-A1227 PolarHBondContact O-N 3.4Å; A1227-V1229 VanDerWaalsContact C-N 3.32Å; A1227-V1229 PolarHBondContact O-N 3.2Å; A1227-F1230 PolarHBondContact O-N 2.75Å; A1227-I1231 WeakPolarHBondContact O-CG1 3.5Å; A1227-I1231 PolarHBondContact O-N 2.76Å |
| 1228 | S | 94.4 | Very high | 91.7 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.1 | -33.3 | 178 | 67.8 | 0 | 0 | 0 | 0 | 112.6 | L1224 F1225 I1231 L1232 | L1224-S1228 WeakPolarHBondContact O-CB 3.49Å; L1224-S1228 PolarHBondContact O-N 3.39Å; L1224-S1228 PolarHBondContact O-OG 2.89Å; F1225-S1228 PolarHBondContact O-OG 3.14Å; F1225-S1228 VanDerWaalsContact O-OG 3.11Å; S1228-I1231 PolarHBondContact O-N 2.9Å; S1228-L1232 WeakPolarHBondContact O-CB 3.44Å; S1228-L1232 PolarHBondContact O-N 3.44Å |
| 1229 | V | 94.8 | Very high | 91.9 | Very high | 15 Ų | 15 | 60 Ų | 60 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.1 | 167.1 | 0 | 0 | 0 | 0 | 111.9 | M1129 P1130 N1133 F1225 V1226 A1227 N1233 | M1129-V1229 HydrophobicContact CB-CG1 4.12Å; P1130-V1229 HydrophobicContact CB-CG1 4.46Å; P1130-V1229 HydrophobicContact CG-CG1 4.13Å; N1133-V1229 HydrophobicContact CB-CG1 4.25Å; F1225-V1229 HydrophobicContact CE1-CG2 4.25Å; F1225-V1229 HydrophobicContact CE2-CG2 4.33Å; F1225-V1229 HydrophobicContact CZ-CG2 4.07Å; F1225-V1229 WeakPolarHBondContact O-CG2 3.41Å; F1225-V1229 PolarHBondContact O-N 2.82Å; F1225-V1229 VanDerWaalsContact O-N 3.11Å; V1226-V1229 PolarHBondContact O-N 2.96Å; A1227-V1229 VanDerWaalsContact C-N 3.32Å; A1227-V1229 PolarHBondContact O-N 3.2Å; V1229-N1233 WeakPolarHBondContact O-CB 3.34Å; V1229-N1233 PolarHBondContact O-N 3.06Å; V1229-N1233 VanDerWaalsContact O-N 3.11Å |
| 1230 | F | 94.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -48 | 174 | -83.8 | -74.6 | 0 | 0 | 0 | 112.2 | P1130 L1215 L1216 V1226 A1227 N1233 L1234 | P1130-F1230 HydrophobicContact CB-CD1 3.98Å; P1130-F1230 HydrophobicContact CB-CE1 3.76Å; P1130-F1230 HydrophobicContact CB-CZ 4.16Å; P1130-F1230 HydrophobicContact CG-CD1 4.24Å; P1130-F1230 HydrophobicContact CG-CE1 4.48Å; L1215-F1230 HydrophobicContact CB-CE1 4.13Å; L1215-F1230 HydrophobicContact CB-CZ 4.16Å; L1215-F1230 HydrophobicContact CD2-CE1 4.11Å; L1215-F1230 HydrophobicContact CD2-CZ 3.96Å; L1215-F1230 HydrophobicContact CG-CE1 4.29Å; L1215-F1230 HydrophobicContact CG-CZ 3.94Å; L1216-F1230 HydrophobicContact CB-CD1 4.49Å; L1216-F1230 HydrophobicContact CB-CE1 4.05Å; L1216-F1230 HydrophobicContact CB-CE2 4.42Å; L1216-F1230 HydrophobicContact CB-CZ 4.01Å; L1216-F1230 HydrophobicContact CD1-CD2 3.9Å; L1216-F1230 HydrophobicContact CD1-CE2 3.82Å; L1216-F1230 HydrophobicContact CD1-CG 4.42Å; L1216-F1230 HydrophobicContact CD1-CZ 4.27Å; V1226-F1230 HydrophobicContact CG1-CD2 4Å; V1226-F1230 HydrophobicContact CG1-CE2 3.81Å; V1226-F1230 VanDerWaalsContact O-CD2 3.31Å; V1226-F1230 WeakPolarHBondContact O-CD2 3.4Å; V1226-F1230 PolarHBondContact O-N 3.29Å; V1226-F1230 VanDerWaalsContact O-N 3.14Å; A1227-F1230 PolarHBondContact O-N 2.75Å; F1230-N1233 PolarHBondContact O-N 2.93Å; F1230-L1234 WeakPolarHBondContact O-CB 3.45Å; F1230-L1234 PolarHBondContact O-N 3.48Å |
| 1231 | I | 94.3 | Very high | 92.5 | Very high | 124 Ų | 124 | 56.2 Ų | 56.2 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63 | -48.2 | -178.6 | -66.7 | 164.1 | 0 | 0 | 0 | 111.1 | A1227 S1228 N1233 L1234 G1235 | A1227-I1231 WeakPolarHBondContact O-CG1 3.5Å; A1227-I1231 PolarHBondContact O-N 2.76Å; S1228-I1231 PolarHBondContact O-N 2.9Å; I1231-N1233 PolarHBondContact O-N 3.47Å; I1231-L1234 PolarHBondContact O-N 3.48Å; I1231-G1235 PolarHBondContact O-N 3.37Å |
| 1232 | L | 93.8 | Very high | 92.9 | Very high | 127 Ų | 127 | 54.7 Ų | 54.7 | 67% | 0.665 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.8 | -47.8 | 179 | 179.7 | 63.2 | 0 | 0 | 0 | 111.1 | S1228 L1234 G1235 T1236 | S1228-L1232 WeakPolarHBondContact O-CB 3.44Å; S1228-L1232 PolarHBondContact O-N 3.44Å; L1232-L1234 VanDerWaalsContact C-N 3.33Å; L1232-L1234 PolarHBondContact O-N 3.02Å; L1232-G1235 PolarHBondContact O-N 2.9Å; L1232-G1235 VanDerWaalsContact O-N 3.16Å; L1232-T1236 PolarHBondContact O-N 3.48Å; L1232-T1236 PolarHBondContact O-OG1 3.13Å |
| 1233 | N | 93.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -32.3 | -178 | -176.5 | 103.2 | 0 | 0 | 0 | 112.4 | F1126 P1130 Q1212 V1229 F1230 I1231 | F1126-N1233 PolarHBondContact O-ND2 2.71Å; P1130-N1233 VanDerWaalsContact CD-CG 3.48Å; P1130-N1233 VanDerWaalsContact CD-OD1 3.24Å; P1130-N1233 WeakPolarHBondContact CD-OD1 3.5Å; P1130-N1233 HydrophobicContact CG-CB 3.84Å; Q1212-N1233 PolarHBondContact NE2-ND2 3.04Å; V1229-N1233 WeakPolarHBondContact O-CB 3.34Å; V1229-N1233 PolarHBondContact O-N 3.06Å; V1229-N1233 VanDerWaalsContact O-N 3.11Å; F1230-N1233 PolarHBondContact O-N 2.93Å; I1231-N1233 PolarHBondContact O-N 3.47Å |
| 1234 | L | 91.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 170 | 177.6 | 58.9 | 0 | 0 | 0 | 111.4 | L1209 F1230 I1231 L1232 T1236 F1237 Y1238 | L1209-L1234 HydrophobicContact CD2-CD1 3.51Å; L1209-L1234 HydrophobicContact CD2-CD2 3.87Å; L1209-L1234 HydrophobicContact CD2-CG 4.37Å; L1209-L1234 HydrophobicContact CG-CD1 3.93Å; F1230-L1234 WeakPolarHBondContact O-CB 3.45Å; F1230-L1234 PolarHBondContact O-N 3.48Å; I1231-L1234 PolarHBondContact O-N 3.48Å; L1232-L1234 VanDerWaalsContact C-N 3.33Å; L1232-L1234 PolarHBondContact O-N 3.02Å; L1234-T1236 VanDerWaalsContact C-N 3.31Å; L1234-T1236 PolarHBondContact O-N 2.91Å; L1234-F1237 PolarHBondContact O-N 2.88Å; L1234-Y1238 HydrophobicContact CD1-CE2 3.95Å; L1234-Y1238 HydrophobicContact CG-CE2 4.38Å |
| 1235 | G | 92.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1231 L1232 F1237 Y1238 V1239 | I1231-G1235 PolarHBondContact O-N 3.37Å; L1232-G1235 PolarHBondContact O-N 2.9Å; L1232-G1235 VanDerWaalsContact O-N 3.16Å; G1235-F1237 VanDerWaalsContact C-N 3.28Å; G1235-F1237 PolarHBondContact O-N 2.88Å; G1235-Y1238 PolarHBondContact O-N 3.01Å; G1235-V1239 WeakPolarHBondContact O-CG2 3.41Å; G1235-V1239 PolarHBondContact O-N 3.25Å |
| 1236 | T | 93.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.5 | -41.4 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | V1125 L1232 L1234 V1239 V1240 | V1125-T1236 HydrophobicContact CG1-CG2 3.76Å; L1232-T1236 PolarHBondContact O-N 3.48Å; L1232-T1236 PolarHBondContact O-OG1 3.13Å; L1234-T1236 VanDerWaalsContact C-N 3.31Å; L1234-T1236 PolarHBondContact O-N 2.91Å; T1236-V1239 PolarHBondContact O-N 3.04Å; T1236-V1240 HydrophobicContact CG2-CG2 3.98Å; T1236-V1240 VanDerWaalsContact O-CB 3.3Å; T1236-V1240 WeakPolarHBondContact O-CB 3.29Å; T1236-V1240 VanDerWaalsContact O-CG2 3.25Å; T1236-V1240 WeakPolarHBondContact O-CG2 3.24Å; T1236-V1240 PolarHBondContact O-N 3.36Å |
| 1237 | F | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 178.9 | 163.2 | -108.2 | 0 | 0 | 0 | 112.2 | F1126 F1201 M1204 S1205 N1208 L1234 G1235 S1241 | F1126-F1237 HydrophobicContact CB-CB 4.49Å; F1126-F1237 HydrophobicContact CD1-CB 4.03Å; F1126-F1237 HydrophobicContact CD1-CD2 4.03Å; F1126-F1237 AromaticContact CD2-CD2 3.72Å; F1126-F1237 HydrophobicContact CD2-CD2 3.72Å; F1126-F1237 HydrophobicContact CD2-CE2 4.33Å; F1126-F1237 HydrophobicContact CE1-CD2 4.08Å; F1126-F1237 AromaticContact CE2-CD2 3.76Å; F1126-F1237 HydrophobicContact CE2-CD2 3.76Å; F1126-F1237 HydrophobicContact CE2-CE2 4.13Å; F1126-F1237 HydrophobicContact CG-CB 4.26Å; F1126-F1237 AromaticContact CG-CD2 3.88Å; F1126-F1237 HydrophobicContact CG-CD2 3.88Å; F1126-F1237 AromaticContact CZ-CD2 3.94Å; F1126-F1237 HydrophobicContact CZ-CD2 3.94Å; F1126-F1237 HydrophobicContact CZ-CE2 4.5Å; F1201-F1237 HydrophobicContact CD2-CZ 4.42Å; F1201-F1237 HydrophobicContact CE2-CE1 4.47Å; F1201-F1237 HydrophobicContact CE2-CZ 4.08Å; M1204-F1237 HydrophobicContact CB-CE2 4.5Å; M1204-F1237 HydrophobicContact CG-CE2 3.58Å; M1204-F1237 HydrophobicContact CG-CZ 4Å; S1205-F1237 VanDerWaalsContact OG-CE1 3.25Å; S1205-F1237 WeakPolarHBondContact OG-CE1 3.41Å; S1205-F1237 WeakPolarHBondContact OG-CZ 3.34Å; N1208-F1237 WeakPolarHBondContact ND2-CB 3.44Å; N1208-F1237 VanDerWaalsContact ND2-CG 3.33Å; N1208-F1237 WeakPolarHBondContact ND2-CG 3.21Å; L1234-F1237 PolarHBondContact O-N 2.88Å; G1235-F1237 VanDerWaalsContact C-N 3.28Å; G1235-F1237 PolarHBondContact O-N 2.88Å; F1237-S1241 WeakPolarHBondContact CE2-OG 3.32Å; F1237-S1241 VanDerWaalsContact O-CB 3.28Å; F1237-S1241 WeakPolarHBondContact O-CB 3.13Å; F1237-S1241 PolarHBondContact O-N 3.11Å; F1237-S1241 PolarHBondContact O-OG 3.5Å |
| 1238 | Y | 94.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 179.5 | -67.7 | -60.6 | 0 | 0 | 0 | 112.5 | F1201 L1234 G1235 S1241 I1242 L1265 Y1270 | F1201-Y1238 HydrophobicContact CZ-CD1 4.28Å; F1201-Y1238 HydrophobicContact CZ-CE1 4.33Å; L1234-Y1238 HydrophobicContact CD1-CE2 3.95Å; L1234-Y1238 HydrophobicContact CG-CE2 4.38Å; G1235-Y1238 PolarHBondContact O-N 3.01Å; Y1238-S1241 PolarHBondContact O-N 3.03Å; Y1238-I1242 VanDerWaalsContact O-CG1 3.31Å; Y1238-I1242 WeakPolarHBondContact O-CG1 3.24Å; Y1238-I1242 PolarHBondContact O-N 3Å; Y1238-L1265 HydrophobicContact CD1-CD1 4.3Å; Y1238-L1265 HydrophobicContact CD1-CD2 3.78Å; Y1238-L1265 HydrophobicContact CE1-CD2 3.76Å; Y1238-Y1270 WeakPolarHBondContact CE1-OH 3.33Å |
| 1239 | V | 94.2 | Very high | 90.4 | Very high | 86 Ų | 86 | 49.1 Ų | 49.1 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 178 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | G1235 T1236 S1241 I1242 I1243 | G1235-V1239 WeakPolarHBondContact O-CG2 3.41Å; G1235-V1239 PolarHBondContact O-N 3.25Å; T1236-V1239 PolarHBondContact O-N 3.04Å; V1239-S1241 VanDerWaalsContact C-N 3.34Å; V1239-S1241 PolarHBondContact O-N 2.94Å; V1239-I1242 PolarHBondContact O-N 3.45Å; V1239-I1243 HydrophobicContact CG1-CD1 3.84Å; V1239-I1243 VanDerWaalsContact O-CG1 3.3Å; V1239-I1243 WeakPolarHBondContact O-CG1 3.11Å; V1239-I1243 PolarHBondContact O-N 2.99Å |
| 1240 | V | 93.2 | Very high | 88.8 | Confident | 36 Ų | 36 | 52 Ų | 52 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -37 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | F1121 V1125 F1126 T1236 I1243 Y1244 | F1121-V1240 HydrophobicContact CD2-CG1 3.87Å; F1121-V1240 HydrophobicContact CE2-CG1 3.97Å; V1125-V1240 HydrophobicContact CG1-CG2 4.5Å; F1126-V1240 HydrophobicContact CE1-CB 3.99Å; F1126-V1240 HydrophobicContact CE1-CG1 3.85Å; F1126-V1240 HydrophobicContact CZ-CG1 4.2Å; T1236-V1240 HydrophobicContact CG2-CG2 3.98Å; T1236-V1240 VanDerWaalsContact O-CB 3.3Å; T1236-V1240 WeakPolarHBondContact O-CB 3.29Å; T1236-V1240 VanDerWaalsContact O-CG2 3.25Å; T1236-V1240 WeakPolarHBondContact O-CG2 3.24Å; T1236-V1240 PolarHBondContact O-N 3.36Å; V1240-I1243 PolarHBondContact O-N 2.99Å; V1240-Y1244 WeakPolarHBondContact O-CB 3.35Å; V1240-Y1244 PolarHBondContact O-N 3.23Å |
| 1241 | S | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | Y1118 F1237 Y1238 V1239 I1243 Y1244 N1245 | Y1118-S1241 WeakPolarHBondContact CE1-OG 3.33Å; F1237-S1241 WeakPolarHBondContact CE2-OG 3.32Å; F1237-S1241 VanDerWaalsContact O-CB 3.28Å; F1237-S1241 WeakPolarHBondContact O-CB 3.13Å; F1237-S1241 PolarHBondContact O-N 3.11Å; F1237-S1241 PolarHBondContact O-OG 3.5Å; Y1238-S1241 PolarHBondContact O-N 3.03Å; V1239-S1241 VanDerWaalsContact C-N 3.34Å; V1239-S1241 PolarHBondContact O-N 2.94Å; S1241-I1243 VanDerWaalsContact C-N 3.35Å; S1241-I1243 PolarHBondContact O-N 2.71Å; S1241-Y1244 PolarHBondContact O-N 3.09Å; S1241-N1245 WeakPolarHBondContact O-CB 3.35Å; S1241-N1245 PolarHBondContact O-N 3.41Å; S1241-N1245 PolarHBondContact O-ND2 2.93Å |
| 1242 | I | 92.7 | Very high | 85.3 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.6 | -68.8 | 163.4 | 0 | 0 | 0 | 110.9 | Y1238 V1239 N1245 L1246 A1261 L1265 | Y1238-I1242 VanDerWaalsContact O-CG1 3.31Å; Y1238-I1242 WeakPolarHBondContact O-CG1 3.24Å; Y1238-I1242 PolarHBondContact O-N 3Å; V1239-I1242 PolarHBondContact O-N 3.45Å; I1242-N1245 PolarHBondContact O-N 3.43Å; I1242-L1246 HydrophobicContact CG2-CD1 3.91Å; I1242-L1246 VanDerWaalsContact O-CG 3.3Å; I1242-L1246 WeakPolarHBondContact O-CG 3.37Å; I1242-L1246 PolarHBondContact O-N 3.35Å; I1242-L1246 VanDerWaalsContact O-N 3.16Å; I1242-A1261 HydrophobicContact CG1-CB 4.33Å; I1242-L1265 HydrophobicContact CD1-CD1 3.91Å; I1242-L1265 HydrophobicContact CG1-CD1 4.15Å |
| 1243 | I | 91.4 | Very high | 83.5 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 45% | 0.451 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 177.3 | -68.6 | 166 | 0 | 0 | 0 | 110.9 | V1239 V1240 S1241 N1245 L1246 L1247 | V1239-I1243 HydrophobicContact CG1-CD1 3.84Å; V1239-I1243 VanDerWaalsContact O-CG1 3.3Å; V1239-I1243 WeakPolarHBondContact O-CG1 3.11Å; V1239-I1243 PolarHBondContact O-N 2.99Å; V1240-I1243 PolarHBondContact O-N 2.99Å; S1241-I1243 VanDerWaalsContact C-N 3.35Å; S1241-I1243 PolarHBondContact O-N 2.71Å; I1243-N1245 VanDerWaalsContact C-N 3.34Å; I1243-N1245 PolarHBondContact O-N 3.32Å; I1243-L1246 PolarHBondContact O-N 2.9Å; I1243-L1247 HydrophobicContact CG2-CD1 3.7Å; I1243-L1247 HydrophobicContact CG2-CG 4.45Å; I1243-L1247 WeakPolarHBondContact O-CG 3.36Å; I1243-L1247 PolarHBondContact O-N 3.46Å; I1243-L1247 VanDerWaalsContact O-N 3.11Å |
| 1244 | Y | 90.2 | Very high | 81.9 | Confident | 32 Ų | 32 | 57 Ų | 57 | 13% | 0.125 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 176.6 | 172.9 | -124.6 | 0 | 0 | 0 | 112 | D1115 V1117 Y1118 V1240 S1241 L1246 L1247 S1248 P1257 | D1115-Y1244 PolarHBondContact OD2-OH 3.3Å; D1115-Y1244 VanDerWaalsContact OD2-OH 3.14Å; V1117-Y1244 HydrophobicContact CB-CE1 4.26Å; V1117-Y1244 HydrophobicContact CB-CE2 4.17Å; V1117-Y1244 HydrophobicContact CG1-CD2 4.33Å; V1117-Y1244 HydrophobicContact CG1-CE2 4.22Å; V1117-Y1244 HydrophobicContact CG2-CE2 3.82Å; Y1118-Y1244 AromaticContact CE1-CD1 3.94Å; Y1118-Y1244 HydrophobicContact CE1-CD1 3.94Å; Y1118-Y1244 HydrophobicContact CE1-CE1 4.48Å; V1240-Y1244 WeakPolarHBondContact O-CB 3.35Å; V1240-Y1244 PolarHBondContact O-N 3.23Å; S1241-Y1244 PolarHBondContact O-N 3.09Å; Y1244-L1246 PolarHBondContact O-N 3.14Å; Y1244-L1247 PolarHBondContact O-N 3.47Å; Y1244-S1248 VanDerWaalsContact O-CB 3.31Å; Y1244-S1248 WeakPolarHBondContact O-CB 3.24Å; Y1244-S1248 PolarHBondContact O-N 2.87Å; Y1244-S1248 PolarHBondContact O-OG 2.88Å; Y1244-P1257 HydrophobicContact CE1-CG 3.75Å |
| 1245 | N | 89.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -72.6 | -8.6 | -178.8 | -78.6 | -129.6 | 0 | 0 | 0 | 114.1 | Y1118 S1241 I1242 I1243 P1257 Y1258 K1259 V1260 A1261 | Y1118-N1245 PolarHBondContact OH-ND2 3.11Å; S1241-N1245 WeakPolarHBondContact O-CB 3.35Å; S1241-N1245 PolarHBondContact O-N 3.41Å; S1241-N1245 PolarHBondContact O-ND2 2.93Å; I1242-N1245 PolarHBondContact O-N 3.43Å; I1243-N1245 VanDerWaalsContact C-N 3.34Å; I1243-N1245 PolarHBondContact O-N 3.32Å; N1245-P1257 WeakPolarHBondContact CA-O 3.3Å; N1245-P1257 WeakPolarHBondContact CB-O 3.29Å; N1245-P1257 VanDerWaalsContact CG-O 3.28Å; N1245-P1257 PolarHBondContact OD1-O 3.13Å; N1245-Y1258 WeakPolarHBondContact O-CA 3.49Å; N1245-K1259 PolarHBondContact O-N 3.45Å; N1245-V1260 WeakPolarHBondContact OD1-CB 3.34Å; N1245-V1260 PolarHBondContact OD1-N 2.9Å; N1245-A1261 HydrophobicContact CB-CB 4.09Å; N1245-A1261 WeakPolarHBondContact OD1-CB 3.39Å; N1245-A1261 PolarHBondContact OD1-N 3.11Å |
| 1246 | L | 88.8 | Confident | 80.1 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 40% | 0.398 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -101.2 | -27.7 | 173.5 | -70.6 | 170 | 0 | 0 | 0 | 112.2 | I1242 I1243 Y1244 K1259 | I1242-L1246 HydrophobicContact CG2-CD1 3.91Å; I1242-L1246 VanDerWaalsContact O-CG 3.3Å; I1242-L1246 WeakPolarHBondContact O-CG 3.37Å; I1242-L1246 PolarHBondContact O-N 3.35Å; I1242-L1246 VanDerWaalsContact O-N 3.16Å; I1243-L1246 PolarHBondContact O-N 2.9Å; Y1244-L1246 PolarHBondContact O-N 3.14Å; L1246-K1259 HydrophobicContact CD2-CG 4.44Å |
| 1247 | L | 85.5 | Confident | 79.6 | Confident | 125 Ų | 125 | 60 Ų | 60 | 65% | 0.654 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -92 | -19.7 | -179.8 | -63.9 | 174.7 | 0 | 0 | 0 | 113.8 | I1243 Y1244 V1249 | I1243-L1247 HydrophobicContact CG2-CD1 3.7Å; I1243-L1247 HydrophobicContact CG2-CG 4.45Å; I1243-L1247 WeakPolarHBondContact O-CG 3.36Å; I1243-L1247 PolarHBondContact O-N 3.46Å; I1243-L1247 VanDerWaalsContact O-N 3.11Å; Y1244-L1247 PolarHBondContact O-N 3.47Å; L1247-V1249 PolarHBondContact O-N 3.03Å; L1247-V1249 VanDerWaalsContact O-N 3.13Å |
| 1248 | S | 78.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -62.2 | -18.6 | -173.9 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | Y1244 G1250 C1251 P1257 | Y1244-S1248 VanDerWaalsContact O-CB 3.31Å; Y1244-S1248 WeakPolarHBondContact O-CB 3.24Å; Y1244-S1248 PolarHBondContact O-N 2.87Å; Y1244-S1248 PolarHBondContact O-OG 2.88Å; S1248-G1250 PolarHBondContact O-N 3.22Å; S1248-C1251 PolarHBondContact O-N 3.14Å; S1248-P1257 PolarHBondContact OG-O 3.13Å |
| 1249 | V | 66.7 | Low | 78.9 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -52.4 | -32.9 | -172.2 | -173.1 | 0 | 0 | 0 | 0 | 114.2 | L1247 Y1258 | L1247-V1249 PolarHBondContact O-N 3.03Å; L1247-V1249 VanDerWaalsContact O-N 3.13Å; V1249-Y1258 HydrophobicContact CG2-CD2 3.21Å; V1249-Y1258 HydrophobicContact CG2-CE2 3.54Å; V1249-Y1258 HydrophobicContact CG2-CG 3.93Å |
| 1250 | G | 62.1 | Low | 78.7 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 77% | 0.773 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -103.3 | 2.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1248 | S1248-G1250 PolarHBondContact O-N 3.22Š|
| 1251 | C | 60.7 | Low | 78.7 | Confident | 107 Ų | 107 | 63 Ų | 63 | 72% | 0.723 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -10.4 | -158.7 | -64.9 | 0 | 0 | 0 | 0 | 116.7 | S1248 | S1248-C1251 PolarHBondContact O-N 3.14Š|
| 1252 | C | 53.9 | Low | 78.6 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 48% | 0.48 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -135.3 | 158.3 | -173 | -64.6 | 0 | 0 | 0 | 0 | 113 | ||
| 1253 | S | 55.7 | Low | 78.5 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 74% | 0.741 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -74.1 | 144.3 | -175.3 | 50 | 0 | 0 | 0 | 0 | 114.3 | D1255 | S1253-D1255 PolarHBondContact O-N 3.1Š|
| 1254 | A | 59.4 | Low | 78.5 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 82% | 0.818 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 55.2 | -82.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1256 | A1254-P1256 WeakPolarHBondContact O-CD 3.31Š|
| 1255 | D | 69.7 | Low | 78.7 | Confident | 135 Ų | 135 | 66 Ų | 66 | 72% | 0.722 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -109.6 | 82.1 | -177 | -69.8 | -52.1 | 0 | 0 | 0 | 111 | S1253 | S1253-D1255 PolarHBondContact O-N 3.1Š|
| 1256 | P | 77.1 | Confident | 78.8 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 28% | 0.279 | 42% | 0.417 | S | S | . | . | trans | -65.4 | 144.1 | 172.9 | 28.5 | -34.4 | 0 | 0 | 0 | 110.3 | A1254 Y1258 | A1254-P1256 WeakPolarHBondContact O-CD 3.31Å; P1256-Y1258 PolarHBondContact O-N 2.83Å | ||
| 1257 | P | 83.2 | Confident | 78.9 | Confident | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | trans | -74.2 | 64.3 | 177.9 | 30.7 | -35.9 | 0 | 0 | 0 | 111.2 | C1197 Y1244 N1245 S1248 | C1197-P1257 HydrophobicContact CB-CB 4.02Å; Y1244-P1257 HydrophobicContact CE1-CG 3.75Å; N1245-P1257 WeakPolarHBondContact CA-O 3.3Å; N1245-P1257 WeakPolarHBondContact CB-O 3.29Å; N1245-P1257 VanDerWaalsContact CG-O 3.28Å; N1245-P1257 PolarHBondContact OD1-O 3.13Å; S1248-P1257 PolarHBondContact OG-O 3.13Å | ||
| 1258 | Y | 85.7 | Confident | 79.1 | Confident | 112 Ų | 112 | 71 Ų | 71 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | trans | -81.9 | 124.5 | -179.8 | 179.6 | -123.5 | 0 | 0 | 0 | 110.5 | N1245 V1249 P1256 V1260 | N1245-Y1258 WeakPolarHBondContact O-CA 3.49Å; V1249-Y1258 HydrophobicContact CG2-CD2 3.21Å; V1249-Y1258 HydrophobicContact CG2-CE2 3.54Å; V1249-Y1258 HydrophobicContact CG2-CG 3.93Å; P1256-Y1258 PolarHBondContact O-N 2.83Å; Y1258-V1260 PolarHBondContact O-N 3.07Å | ||
| 1259 | K | 87 | Confident | 79.7 | Confident | 94 Ų | 94 | 79.1 Ų | 79.1 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 56.2 | 1.3 | 179.4 | -66.8 | 180 | 167.5 | 159.8 | 0 | 116.9 | N1245 L1246 A1261 Q1262 R1263 | N1245-K1259 PolarHBondContact O-N 3.45Å; L1246-K1259 HydrophobicContact CD2-CG 4.44Å; K1259-A1261 VanDerWaalsContact C-N 3.3Å; K1259-A1261 PolarHBondContact O-N 2.75Å; K1259-Q1262 WeakPolarHBondContact O-CA 3.33Å; K1259-Q1262 WeakPolarHBondContact O-CB 3.21Å; K1259-Q1262 PolarHBondContact O-N 3.29Å; K1259-R1263 PolarHBondContact O-N 2.85Å |
| 1260 | V | 90.5 | Very high | 81 | Confident | 10 Ų | 10 | 75 Ų | 75 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -50.2 | -48.2 | 179.4 | 161.2 | 0 | 0 | 0 | 0 | 111.9 | C1197 E1198 F1201 N1245 Y1258 Q1262 R1263 M1264 | C1197-V1260 HydrophobicContact CB-CG1 4.43Å; C1197-V1260 HydrophobicContact CB-CG2 4.09Å; E1198-V1260 HydrophobicContact CB-CG1 4.36Å; E1198-V1260 HydrophobicContact CG-CB 4.4Å; E1198-V1260 HydrophobicContact CG-CG1 3.64Å; E1198-V1260 HydrophobicContact CG-CG2 4.06Å; F1201-V1260 HydrophobicContact CB-CG1 4.16Å; N1245-V1260 WeakPolarHBondContact OD1-CB 3.34Å; N1245-V1260 PolarHBondContact OD1-N 2.9Å; Y1258-V1260 PolarHBondContact O-N 3.07Å; V1260-Q1262 VanDerWaalsContact C-N 3.31Å; V1260-Q1262 PolarHBondContact O-N 3.14Å; V1260-R1263 PolarHBondContact O-N 2.89Å; V1260-M1264 HydrophobicContact CG1-CG 4.32Å; V1260-M1264 WeakPolarHBondContact O-CB 3.43Å; V1260-M1264 VanDerWaalsContact O-CG 3.31Å; V1260-M1264 WeakPolarHBondContact O-CG 3.19Å; V1260-M1264 PolarHBondContact O-N 3.12Å |
| 1261 | A | 91.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1201 I1242 N1245 K1259 L1265 | F1201-A1261 HydrophobicContact CD2-CB 4.27Å; F1201-A1261 HydrophobicContact CE1-CB 4.49Å; F1201-A1261 HydrophobicContact CE2-CB 3.85Å; F1201-A1261 HydrophobicContact CZ-CB 3.96Å; I1242-A1261 HydrophobicContact CG1-CB 4.33Å; N1245-A1261 HydrophobicContact CB-CB 4.09Å; N1245-A1261 WeakPolarHBondContact OD1-CB 3.39Å; N1245-A1261 PolarHBondContact OD1-N 3.11Å; K1259-A1261 VanDerWaalsContact C-N 3.3Å; K1259-A1261 PolarHBondContact O-N 2.75Å; A1261-L1265 VanDerWaalsContact O-CB 3.26Å; A1261-L1265 WeakPolarHBondContact O-CB 3.17Å; A1261-L1265 VanDerWaalsContact O-CD1 3.28Å; A1261-L1265 WeakPolarHBondContact O-CD1 3.3Å; A1261-L1265 WeakPolarHBondContact O-CG 3.3Å; A1261-L1265 PolarHBondContact O-N 3.23Å; A1261-L1265 VanDerWaalsContact O-N 3.1Å |
| 1262 | Q | 90.6 | Very high | 84.1 | Confident | 78 Ų | 78 | 75.6 Ų | 75.6 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | 178.1 | -65.3 | -174.9 | -32.7 | 0 | 0 | 111.8 | K1259 V1260 S1266 | K1259-Q1262 WeakPolarHBondContact O-CA 3.33Å; K1259-Q1262 WeakPolarHBondContact O-CB 3.21Å; K1259-Q1262 PolarHBondContact O-N 3.29Å; V1260-Q1262 VanDerWaalsContact C-N 3.31Å; V1260-Q1262 PolarHBondContact O-N 3.14Å; Q1262-S1266 PolarHBondContact O-N 3.03Å |
| 1263 | R | 90.7 | Very high | 86 | Confident | 119 Ų | 119 | 73.2 Ų | 73.2 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -59.3 | 173.6 | 179.5 | -170.1 | 172.9 | 175 | 8.3 | 110.4 | E1198 K1259 V1260 L1265 S1266 E1267 | E1198-R1263 VanDerWaalsContact OE1-CD 3.31Å; E1198-R1263 WeakPolarHBondContact OE1-CD 3.25Å; E1198-R1263 IonicContact OE1-CZ 2.71Å; E1198-R1263 IonicContact OE1-NE 3.53Å; E1198-R1263 IonicContact OE1-NH1 2.76Å; E1198-R1263 PolarHBondContact OE1-NH1 3.42Å; E1198-R1263 IonicContact OE2-NH1 3.35Å; K1259-R1263 PolarHBondContact O-N 2.85Å; V1260-R1263 PolarHBondContact O-N 2.89Å; R1263-L1265 VanDerWaalsContact C-N 3.32Å; R1263-L1265 PolarHBondContact O-N 3.39Å; R1263-S1266 WeakPolarHBondContact O-CA 3.24Å; R1263-S1266 WeakPolarHBondContact O-CB 3.28Å; R1263-S1266 PolarHBondContact O-N 2.93Å; R1263-S1266 PolarHBondContact O-OG 2.7Å; R1263-E1267 WeakPolarHBondContact CG-OE1 3.44Å; R1263-E1267 IonicContact CZ-OE1 3.21Å; R1263-E1267 IonicContact NE-OE1 3.95Å; R1263-E1267 PolarHBondContact NE-OE1 3.46Å; R1263-E1267 IonicContact NH2-OE1 2.84Å; R1263-E1267 PolarHBondContact O-N 3.37Å |
| 1264 | M | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | -175.1 | -68.5 | -72.7 | 102.8 | 0 | 0 | 112.7 | E1198 F1201 V1260 S1266 E1267 Y1270 | E1198-M1264 HydrophobicContact CB-CE 4.44Å; E1198-M1264 HydrophobicContact CB-CG 4.46Å; E1198-M1264 HydrophobicContact CB-SD 4.05Å; E1198-M1264 HydrophobicContact CG-CE 4.07Å; E1198-M1264 HydrophobicContact CG-CG 4.18Å; E1198-M1264 HydrophobicContact CG-SD 4.14Å; F1201-M1264 HydrophobicContact CD1-CB 3.54Å; F1201-M1264 HydrophobicContact CD1-CG 3.9Å; F1201-M1264 HydrophobicContact CE1-CB 3.65Å; F1201-M1264 HydrophobicContact CE1-CG 4.5Å; V1260-M1264 HydrophobicContact CG1-CG 4.32Å; V1260-M1264 WeakPolarHBondContact O-CB 3.43Å; V1260-M1264 VanDerWaalsContact O-CG 3.31Å; V1260-M1264 WeakPolarHBondContact O-CG 3.19Å; V1260-M1264 PolarHBondContact O-N 3.12Å; M1264-S1266 PolarHBondContact O-N 3.05Å; M1264-E1267 WeakPolarHBondContact CE-OE1 3.4Å; M1264-E1267 PolarHBondContact O-N 2.96Å; M1264-Y1270 HydrophobicContact CB-CD2 4.08Å; M1264-Y1270 HydrophobicContact CB-CE2 4.45Å; M1264-Y1270 HydrophobicContact CB-CG 4.44Å; M1264-Y1270 VanDerWaalsContact O-CB 3.27Å; M1264-Y1270 WeakPolarHBondContact O-CB 3.19Å; M1264-Y1270 WeakPolarHBondContact O-CD1 3.42Å; M1264-Y1270 VanDerWaalsContact O-CG 3.27Å |
| 1265 | L | 92.8 | Very high | 89.6 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.2 | -18 | 176.4 | -68.9 | 169.6 | 0 | 0 | 0 | 113.9 | F1201 Y1238 I1242 A1261 R1263 Y1270 W1271 | F1201-L1265 HydrophobicContact CE1-CD2 4.37Å; F1201-L1265 HydrophobicContact CE1-CG 4.16Å; F1201-L1265 HydrophobicContact CZ-CD1 4.29Å; F1201-L1265 HydrophobicContact CZ-CD2 4.16Å; F1201-L1265 HydrophobicContact CZ-CG 4Å; Y1238-L1265 HydrophobicContact CD1-CD1 4.3Å; Y1238-L1265 HydrophobicContact CD1-CD2 3.78Å; Y1238-L1265 HydrophobicContact CE1-CD2 3.76Å; I1242-L1265 HydrophobicContact CD1-CD1 3.91Å; I1242-L1265 HydrophobicContact CG1-CD1 4.15Å; A1261-L1265 VanDerWaalsContact O-CB 3.26Å; A1261-L1265 WeakPolarHBondContact O-CB 3.17Å; A1261-L1265 VanDerWaalsContact O-CD1 3.28Å; A1261-L1265 WeakPolarHBondContact O-CD1 3.3Å; A1261-L1265 WeakPolarHBondContact O-CG 3.3Å; A1261-L1265 PolarHBondContact O-N 3.23Å; A1261-L1265 VanDerWaalsContact O-N 3.1Å; R1263-L1265 VanDerWaalsContact C-N 3.32Å; R1263-L1265 PolarHBondContact O-N 3.39Å; L1265-Y1270 HydrophobicContact CD2-CE1 3.82Å; L1265-W1271 HydrophobicContact CB-CZ2 4.45Å; L1265-W1271 HydrophobicContact CD2-CH2 3.68Å; L1265-W1271 HydrophobicContact CD2-CZ2 3.4Å; L1265-W1271 VanDerWaalsContact CD2-CZ2 3.4Å; L1265-W1271 PolarHBondContact O-NE1 2.91Å |
| 1266 | S | 92.2 | Very high | 90.8 | Very high | 92 Ų | 92 | 67.9 Ų | 67.9 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -87.9 | -14.1 | 175.2 | 74 | 0 | 0 | 0 | 0 | 114.2 | Q1262 R1263 M1264 | Q1262-S1266 PolarHBondContact O-N 3.03Å; R1263-S1266 WeakPolarHBondContact O-CA 3.24Å; R1263-S1266 WeakPolarHBondContact O-CB 3.28Å; R1263-S1266 PolarHBondContact O-N 2.93Å; R1263-S1266 PolarHBondContact O-OG 2.7Å; M1264-S1266 PolarHBondContact O-N 3.05Å |
| 1267 | E | 91.1 | Very high | 91.7 | Very high | 49 Ų | 49 | 65.9 Ų | 65.9 | 23% | 0.229 | 31% | 0.314 | C | S | . | . | trans | -89.5 | 121.6 | -178 | -67.2 | -177.6 | -160.2 | 0 | 0 | 111.5 | R1263 M1264 R1269 Y1270 | R1263-E1267 WeakPolarHBondContact CG-OE1 3.44Å; R1263-E1267 IonicContact CZ-OE1 3.21Å; R1263-E1267 IonicContact NE-OE1 3.95Å; R1263-E1267 PolarHBondContact NE-OE1 3.46Å; R1263-E1267 IonicContact NH2-OE1 2.84Å; R1263-E1267 PolarHBondContact O-N 3.37Å; M1264-E1267 WeakPolarHBondContact CE-OE1 3.4Å; M1264-E1267 PolarHBondContact O-N 2.96Å; E1267-R1269 PolarHBondContact O-N 2.9Å; E1267-Y1270 WeakPolarHBondContact O-CB 3.39Å; E1267-Y1270 PolarHBondContact O-N 2.9Å; E1267-Y1270 VanDerWaalsContact O-N 3.13Å | ||
| 1268 | E | 90.5 | Very high | 92.3 | Very high | 166 Ų | 166 | 66 Ų | 66 | 78% | 0.776 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.1 | -31.6 | 178.9 | -60.9 | -176.4 | 159.3 | 0 | 0 | 113.1 | Y1270 W1271 S1272 | E1268-Y1270 VanDerWaalsContact C-N 3.31Å; E1268-Y1270 PolarHBondContact O-N 3.3Å; E1268-W1271 PolarHBondContact O-N 3.49Å; E1268-S1272 PolarHBondContact O-N 3.2Å; E1268-S1272 VanDerWaalsContact O-N 3.16Å; E1268-S1272 PolarHBondContact O-OG 3.44Å |
| 1269 | R | 91.2 | Very high | 92.8 | Very high | 173 Ų | 173 | 64.4 Ų | 64.4 | 65% | 0.653 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.4 | -39.1 | 177.4 | -60 | -177.3 | 176.4 | -175.9 | -0.7 | 111.8 | F1188 E1267 S1272 T1273 | F1188-R1269 HydrophobicContact CE2-CB 3.72Å; E1267-R1269 PolarHBondContact O-N 2.9Å; R1269-S1272 PolarHBondContact O-N 3.45Å; R1269-T1273 WeakPolarHBondContact O-CB 3.25Å; R1269-T1273 PolarHBondContact O-N 3.21Å; R1269-T1273 PolarHBondContact O-OG1 3.25Å |
| 1270 | Y | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 178.1 | 158.9 | -87.4 | 0 | 0 | 0 | 110.5 | F1201 L1202 S1205 Y1238 M1264 L1265 E1267 E1268 S1272 T1273 V1274 | F1201-Y1270 AromaticContact CD1-CE2 3.9Å; F1201-Y1270 HydrophobicContact CD1-CE2 3.9Å; F1201-Y1270 HydrophobicContact CE1-CD2 4.49Å; F1201-Y1270 AromaticContact CE1-CE2 3.65Å; F1201-Y1270 HydrophobicContact CE1-CE2 3.65Å; F1201-Y1270 AromaticContact CE1-CZ 3.8Å; L1202-Y1270 HydrophobicContact CD1-CD2 3.87Å; L1202-Y1270 HydrophobicContact CD1-CE2 4.12Å; S1205-Y1270 VanDerWaalsContact CB-OH 3.23Å; S1205-Y1270 WeakPolarHBondContact CB-OH 3.39Å; S1205-Y1270 PolarHBondContact OG-OH 3.16Å; Y1238-Y1270 WeakPolarHBondContact CE1-OH 3.33Å; M1264-Y1270 HydrophobicContact CB-CD2 4.08Å; M1264-Y1270 HydrophobicContact CB-CE2 4.45Å; M1264-Y1270 HydrophobicContact CB-CG 4.44Å; M1264-Y1270 VanDerWaalsContact O-CB 3.27Å; M1264-Y1270 WeakPolarHBondContact O-CB 3.19Å; M1264-Y1270 WeakPolarHBondContact O-CD1 3.42Å; M1264-Y1270 VanDerWaalsContact O-CG 3.27Å; L1265-Y1270 HydrophobicContact CD2-CE1 3.82Å; E1267-Y1270 WeakPolarHBondContact O-CB 3.39Å; E1267-Y1270 PolarHBondContact O-N 2.9Å; E1267-Y1270 VanDerWaalsContact O-N 3.13Å; E1268-Y1270 VanDerWaalsContact C-N 3.31Å; E1268-Y1270 PolarHBondContact O-N 3.3Å; Y1270-S1272 VanDerWaalsContact C-N 3.32Å; Y1270-S1272 PolarHBondContact O-N 3.34Å; Y1270-T1273 PolarHBondContact O-N 2.91Å; Y1270-V1274 HydrophobicContact CD2-CG2 4.16Å; Y1270-V1274 HydrophobicContact CE1-CG2 4.19Å; Y1270-V1274 HydrophobicContact CE2-CG2 3.79Å; Y1270-V1274 WeakPolarHBondContact O-CB 3.44Å; Y1270-V1274 VanDerWaalsContact O-CG2 3.31Å; Y1270-V1274 WeakPolarHBondContact O-CG2 3.25Å; Y1270-V1274 PolarHBondContact O-N 2.99Å |
| 1271 | W | 94.6 | Very high | 93.5 | Very high | 118 Ų | 118 | 60.9 Ų | 60.9 | 45% | 0.447 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | -179.5 | -68.8 | 106 | 0 | 0 | 0 | 112.6 | L1265 E1268 L1275 | L1265-W1271 HydrophobicContact CB-CZ2 4.45Å; L1265-W1271 HydrophobicContact CD2-CH2 3.68Å; L1265-W1271 HydrophobicContact CD2-CZ2 3.4Å; L1265-W1271 VanDerWaalsContact CD2-CZ2 3.4Å; L1265-W1271 PolarHBondContact O-NE1 2.91Å; E1268-W1271 PolarHBondContact O-N 3.49Å; W1271-L1275 WeakPolarHBondContact O-CB 3.46Å; W1271-L1275 PolarHBondContact O-N 3.29Å |
| 1272 | S | 93.4 | Very high | 93.7 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | E1268 R1269 Y1270 L1276 | E1268-S1272 PolarHBondContact O-N 3.2Å; E1268-S1272 VanDerWaalsContact O-N 3.16Å; E1268-S1272 PolarHBondContact O-OG 3.44Å; R1269-S1272 PolarHBondContact O-N 3.45Å; Y1270-S1272 VanDerWaalsContact C-N 3.32Å; Y1270-S1272 PolarHBondContact O-N 3.34Å; S1272-L1276 WeakPolarHBondContact O-CB 3.39Å; S1272-L1276 PolarHBondContact O-N 3.35Å |
| 1273 | T | 93.4 | Very high | 93.9 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 179 | -58.8 | 0 | 0 | 0 | 0 | 112 | I1184 F1188 L1202 R1269 Y1270 L1276 S1277 | I1184-T1273 HydrophobicContact CG2-CG2 3.86Å; F1188-T1273 HydrophobicContact CB-CG2 3.89Å; F1188-T1273 HydrophobicContact CD2-CG2 3.91Å; F1188-T1273 WeakPolarHBondContact CD2-OG1 3.15Å; F1188-T1273 HydrophobicContact CG-CG2 4.09Å; L1202-T1273 HydrophobicContact CD1-CG2 4.15Å; L1202-T1273 HydrophobicContact CD2-CG2 4.29Å; R1269-T1273 WeakPolarHBondContact O-CB 3.25Å; R1269-T1273 PolarHBondContact O-N 3.21Å; R1269-T1273 PolarHBondContact O-OG1 3.25Å; Y1270-T1273 PolarHBondContact O-N 2.91Å; T1273-L1276 PolarHBondContact O-N 3.27Å; T1273-S1277 VanDerWaalsContact O-CB 3.31Å; T1273-S1277 WeakPolarHBondContact O-CB 3.17Å; T1273-S1277 PolarHBondContact O-N 3.16Å; T1273-S1277 PolarHBondContact O-OG 3.16Å |
| 1274 | V | 95.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L1202 L1209 Y1270 S1277 V1278 | L1202-V1274 HydrophobicContact CD1-CG2 3.71Å; L1209-V1274 HydrophobicContact CD1-CG1 3.28Å; Y1270-V1274 HydrophobicContact CD2-CG2 4.16Å; Y1270-V1274 HydrophobicContact CE1-CG2 4.19Å; Y1270-V1274 HydrophobicContact CE2-CG2 3.79Å; Y1270-V1274 WeakPolarHBondContact O-CB 3.44Å; Y1270-V1274 VanDerWaalsContact O-CG2 3.31Å; Y1270-V1274 WeakPolarHBondContact O-CG2 3.25Å; Y1270-V1274 PolarHBondContact O-N 2.99Å; V1274-S1277 PolarHBondContact O-N 2.81Å; V1274-V1278 VanDerWaalsContact O-CG2 3.3Å; V1274-V1278 WeakPolarHBondContact O-CG2 3.31Å; V1274-V1278 PolarHBondContact O-N 3.01Å; V1274-V1278 VanDerWaalsContact O-N 3.09Å |
| 1275 | L | 95.1 | Very high | 94 | Very high | 117 Ų | 117 | 60.8 Ų | 60.8 | 61% | 0.613 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61 | -48.7 | 177 | 179 | 61.3 | 0 | 0 | 0 | 111.7 | W1271 S1277 V1278 V1279 | W1271-L1275 WeakPolarHBondContact O-CB 3.46Å; W1271-L1275 PolarHBondContact O-N 3.29Å; L1275-S1277 PolarHBondContact O-N 3.43Å; L1275-V1278 PolarHBondContact O-N 3.44Å; L1275-V1279 HydrophobicContact CD1-CG2 4.11Å; L1275-V1279 WeakPolarHBondContact O-CG2 3.23Å; L1275-V1279 PolarHBondContact O-N 3Å |
| 1276 | L | 95.7 | Very high | 93.9 | Very high | 106 Ų | 106 | 62.6 Ų | 62.6 | 56% | 0.555 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.7 | -44.7 | 178.2 | -178.8 | 61.9 | 0 | 0 | 0 | 111.8 | I1184 S1272 T1273 V1278 V1279 A1280 | I1184-L1276 HydrophobicContact CD1-CG 4.37Å; I1184-L1276 HydrophobicContact CG2-CD2 4.46Å; S1272-L1276 WeakPolarHBondContact O-CB 3.39Å; S1272-L1276 PolarHBondContact O-N 3.35Å; T1273-L1276 PolarHBondContact O-N 3.27Å; L1276-V1278 PolarHBondContact O-N 3.34Å; L1276-V1279 PolarHBondContact O-N 3.35Å; L1276-A1280 WeakPolarHBondContact O-CB 3.48Å; L1276-A1280 PolarHBondContact O-N 3.47Å |
| 1277 | S | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.7 | -49 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | I1184 C1206 T1273 V1274 L1275 A1281 | I1184-S1277 VanDerWaalsContact CG2-OG 3.24Å; I1184-S1277 WeakPolarHBondContact CG2-OG 3.34Å; C1206-S1277 VanDerWaalsContact SG-CB 3.57Å; T1273-S1277 VanDerWaalsContact O-CB 3.31Å; T1273-S1277 WeakPolarHBondContact O-CB 3.17Å; T1273-S1277 PolarHBondContact O-N 3.16Å; T1273-S1277 PolarHBondContact O-OG 3.16Å; V1274-S1277 PolarHBondContact O-N 2.81Å; L1275-S1277 PolarHBondContact O-N 3.43Å; S1277-A1281 WeakPolarHBondContact O-CB 3.36Å; S1277-A1281 PolarHBondContact O-N 2.84Å |
| 1278 | V | 95.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.2 | -41.9 | -177.7 | 172 | 0 | 0 | 0 | 0 | 111.3 | L1209 C1210 F1213 V1274 L1275 L1276 L1282 | L1209-V1278 HydrophobicContact CB-CG2 3.68Å; C1210-V1278 HydrophobicContact CB-CG2 4.38Å; F1213-V1278 HydrophobicContact CD2-CG1 3.8Å; F1213-V1278 HydrophobicContact CE2-CG1 4.46Å; V1274-V1278 VanDerWaalsContact O-CG2 3.3Å; V1274-V1278 WeakPolarHBondContact O-CG2 3.31Å; V1274-V1278 PolarHBondContact O-N 3.01Å; V1274-V1278 VanDerWaalsContact O-N 3.09Å; L1275-V1278 PolarHBondContact O-N 3.44Å; L1276-V1278 PolarHBondContact O-N 3.34Å; V1278-L1282 HydrophobicContact CG1-CD1 3.91Å; V1278-L1282 WeakPolarHBondContact O-CB 3.4Å; V1278-L1282 WeakPolarHBondContact O-CG 3.42Å; V1278-L1282 PolarHBondContact O-N 3.05Å |
| 1279 | V | 96.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.9 | -48.5 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | L1275 L1276 A1281 L1282 L1283 | L1275-V1279 HydrophobicContact CD1-CG2 4.11Å; L1275-V1279 WeakPolarHBondContact O-CG2 3.23Å; L1275-V1279 PolarHBondContact O-N 3Å; L1276-V1279 PolarHBondContact O-N 3.35Å; V1279-A1281 PolarHBondContact O-N 3.46Å; V1279-L1282 PolarHBondContact O-N 3.36Å; V1279-L1283 WeakPolarHBondContact O-CB 3.5Å; V1279-L1283 PolarHBondContact O-N 3.49Å |
| 1280 | A | 96.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1180 I1184 L1276 | V1180-A1280 HydrophobicContact CG1-CB 3.72Å; I1184-A1280 HydrophobicContact CD1-CB 3.94Å; L1276-A1280 WeakPolarHBondContact O-CB 3.48Å; L1276-A1280 PolarHBondContact O-N 3.47Å |
| 1281 | A | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1176 Q1177 V1180 I1181 S1277 V1279 | W1176-A1281 PolarHBondContact NE1-O 3.07Å; Q1177-A1281 HydrophobicContact CB-CB 4.06Å; Q1177-A1281 HydrophobicContact CG-CB 4.02Å; Q1177-A1281 WeakPolarHBondContact CG-O 3.24Å; V1180-A1281 HydrophobicContact CB-CB 4.38Å; V1180-A1281 HydrophobicContact CG1-CB 4.18Å; I1181-A1281 HydrophobicContact CG1-CB 4.44Å; S1277-A1281 WeakPolarHBondContact O-CB 3.36Å; S1277-A1281 PolarHBondContact O-N 2.84Å; V1279-A1281 PolarHBondContact O-N 3.46Å |
| 1282 | L | 95.7 | Very high | 91.5 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -78.8 | -17.7 | -176.5 | -67 | 171.2 | 0 | 0 | 0 | 114.3 | F1213 H1214 L1217 V1278 V1279 R1285 I1286 | F1213-L1282 HydrophobicContact CB-CD1 3.53Å; H1214-L1282 HydrophobicContact CB-CD2 4.01Å; L1217-L1282 HydrophobicContact CD1-CD1 4.45Å; L1217-L1282 HydrophobicContact CD1-CD2 4.42Å; V1278-L1282 HydrophobicContact CG1-CD1 3.91Å; V1278-L1282 WeakPolarHBondContact O-CB 3.4Å; V1278-L1282 WeakPolarHBondContact O-CG 3.42Å; V1278-L1282 PolarHBondContact O-N 3.05Å; V1279-L1282 PolarHBondContact O-N 3.36Å; L1282-R1285 WeakPolarHBondContact O-CB 3.45Å; L1282-R1285 PolarHBondContact O-N 3.41Å; L1282-I1286 HydrophobicContact CB-CD1 4.06Å; L1282-I1286 WeakPolarHBondContact O-CG1 3.3Å; L1282-I1286 PolarHBondContact O-N 2.91Å |
| 1283 | L | 94.8 | Very high | 90.4 | Very high | 87 Ų | 87 | 65.1 Ų | 65.1 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.6 | -48.8 | -173.3 | 179.1 | 64.7 | 0 | 0 | 0 | 113.8 | V1279 R1285 I1286 I1287 | V1279-L1283 WeakPolarHBondContact O-CB 3.5Å; V1279-L1283 PolarHBondContact O-N 3.49Å; L1283-R1285 VanDerWaalsContact C-N 3.31Å; L1283-R1285 PolarHBondContact O-N 2.89Å; L1283-I1286 PolarHBondContact O-N 2.85Å; L1283-I1287 HydrophobicContact CD1-CD1 3.87Å; L1283-I1287 HydrophobicContact CD1-CG1 4.2Å; L1283-I1287 HydrophobicContact CG-CD1 3.86Å; L1283-I1287 WeakPolarHBondContact O-CG1 3.3Å; L1283-I1287 PolarHBondContact O-N 2.99Å |
| 1284 | P | 94 | Very high | 89.4 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.9 | -34 | 178.1 | -23.7 | 37.4 | 0 | 0 | 0 | 113.1 | W1176 I1287 Y1288 | W1176-P1284 HydrophobicContact CZ2-CG 4.1Å; P1284-I1287 PolarHBondContact O-N 3.31Å; P1284-Y1288 VanDerWaalsContact O-CB 3.24Å; P1284-Y1288 WeakPolarHBondContact O-CB 3.46Å; P1284-Y1288 PolarHBondContact O-N 2.87Å |
| 1285 | R | 90.9 | Very high | 88 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 17% | 0.17 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 176.6 | -177.7 | 58.3 | 175.1 | -115.9 | -1.4 | 111.4 | D1173 H1214 E1218 L1282 L1283 R1289 | D1173-R1285 WeakPolarHBondContact OD2-CD 3.33Å; D1173-R1285 IonicContact OD2-CZ 3.56Å; D1173-R1285 IonicContact OD2-NE 2.72Å; D1173-R1285 IonicContact OD2-NH1 3.85Å; D1173-R1285 PolarHBondContact OD2-NH1 3.11Å; H1214-R1285 PolarHBondContact NE2-NH2 2.98Å; E1218-R1285 IonicContact OE1-CZ 3.93Å; E1218-R1285 IonicContact OE1-NE 2.73Å; E1218-R1285 PolarHBondContact OE1-NE 2.87Å; E1218-R1285 IonicContact OE1-NH2 2.66Å; E1218-R1285 PolarHBondContact OE1-NH2 3.01Å; L1282-R1285 WeakPolarHBondContact O-CB 3.45Å; L1282-R1285 PolarHBondContact O-N 3.41Å; L1283-R1285 VanDerWaalsContact C-N 3.31Å; L1283-R1285 PolarHBondContact O-N 2.89Å; R1285-R1289 WeakPolarHBondContact O-CB 3.47Å; R1285-R1289 PolarHBondContact O-N 2.88Å |
| 1286 | I | 91.4 | Very high | 86.3 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -49.1 | 173.9 | -66.8 | 165.6 | 0 | 0 | 0 | 110.4 | L1217 L1282 L1283 R1289 Y1290 | L1217-I1286 HydrophobicContact CD1-CD1 4.26Å; L1217-I1286 HydrophobicContact CD1-CG1 3.82Å; L1217-I1286 HydrophobicContact CD2-CG1 4.36Å; L1282-I1286 HydrophobicContact CB-CD1 4.06Å; L1282-I1286 WeakPolarHBondContact O-CG1 3.3Å; L1282-I1286 PolarHBondContact O-N 2.91Å; L1283-I1286 PolarHBondContact O-N 2.85Å; I1286-R1289 PolarHBondContact O-N 3.41Å; I1286-Y1290 WeakPolarHBondContact O-CB 3.32Å; I1286-Y1290 PolarHBondContact O-N 3.38Å |
| 1287 | I | 91.4 | Very high | 84.4 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 52% | 0.518 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 178.1 | -67.2 | 166.6 | 0 | 0 | 0 | 110.8 | L1283 P1284 R1289 Y1290 F1291 | L1283-I1287 HydrophobicContact CD1-CD1 3.87Å; L1283-I1287 HydrophobicContact CD1-CG1 4.2Å; L1283-I1287 HydrophobicContact CG-CD1 3.86Å; L1283-I1287 WeakPolarHBondContact O-CG1 3.3Å; L1283-I1287 PolarHBondContact O-N 2.99Å; P1284-I1287 PolarHBondContact O-N 3.31Å; I1287-R1289 VanDerWaalsContact C-N 3.29Å; I1287-R1289 PolarHBondContact O-N 2.86Å; I1287-Y1290 PolarHBondContact O-N 2.81Å; I1287-F1291 WeakPolarHBondContact O-CB 3.32Å; I1287-F1291 PolarHBondContact O-N 2.96Å |
| 1288 | Y | 87.5 | Confident | 82.3 | Confident | 127 Ų | 127 | 71.1 Ų | 71.1 | 50% | 0.498 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.9 | -44.1 | 177 | 169.6 | -96.1 | 0 | 0 | 0 | 111.7 | P1284 F1291 Y1292 | P1284-Y1288 VanDerWaalsContact O-CB 3.24Å; P1284-Y1288 WeakPolarHBondContact O-CB 3.46Å; P1284-Y1288 PolarHBondContact O-N 2.87Å; Y1288-F1291 PolarHBondContact O-N 3.44Å; Y1288-Y1292 VanDerWaalsContact O-CB 3.23Å; Y1288-Y1292 WeakPolarHBondContact O-CB 3.43Å; Y1288-Y1292 PolarHBondContact O-N 3.29Å |
| 1289 | R | 82.4 | Confident | 80.3 | Confident | 69 Ų | 69 | 72.9 Ų | 72.9 | 26% | 0.26 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | -178.4 | -169.2 | 174.2 | -166.9 | -121.3 | 9.5 | 112.4 | L1217 E1218 R1285 I1286 I1287 S1293 | L1217-R1289 PolarHBondContact O-NH1 3.15Å; L1217-R1289 PolarHBondContact O-NH2 3.01Å; E1218-R1289 IonicContact OE1-NE 3.83Å; E1218-R1289 IonicContact OE2-CZ 3.4Å; E1218-R1289 IonicContact OE2-NE 2.7Å; E1218-R1289 PolarHBondContact OE2-NE 3.22Å; E1218-R1289 IonicContact OE2-NH2 3.77Å; E1218-R1289 PolarHBondContact OE2-NH2 2.69Å; R1285-R1289 WeakPolarHBondContact O-CB 3.47Å; R1285-R1289 PolarHBondContact O-N 2.88Å; I1286-R1289 PolarHBondContact O-N 3.41Å; I1287-R1289 VanDerWaalsContact C-N 3.29Å; I1287-R1289 PolarHBondContact O-N 2.86Å; R1289-S1293 VanDerWaalsContact O-CB 3.31Å; R1289-S1293 WeakPolarHBondContact O-CB 3.28Å; R1289-S1293 PolarHBondContact O-N 2.89Å; R1289-S1293 PolarHBondContact O-OG 3.01Å; R1289-S1293 VanDerWaalsContact O-OG 3.13Å |
| 1290 | Y | 82.9 | Confident | 78.1 | Confident | 166 Ų | 166 | 70.5 Ų | 70.5 | 65% | 0.651 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 174.7 | -178.2 | -94.1 | 0 | 0 | 0 | 111.7 | I1286 I1287 S1293 T1294 | I1286-Y1290 WeakPolarHBondContact O-CB 3.32Å; I1286-Y1290 PolarHBondContact O-N 3.38Å; I1287-Y1290 PolarHBondContact O-N 2.81Å; Y1290-S1293 PolarHBondContact O-OG 2.94Å; Y1290-S1293 VanDerWaalsContact O-OG 3.05Å; Y1290-T1294 HydrophobicContact CE1-CG2 4.34Å; Y1290-T1294 HydrophobicContact CE2-CG2 4.48Å; Y1290-T1294 WeakPolarHBondContact O-CB 3.31Å; Y1290-T1294 WeakPolarHBondContact O-CG2 3.4Å; Y1290-T1294 PolarHBondContact O-N 3.48Å; Y1290-T1294 VanDerWaalsContact O-N 3.13Å; Y1290-T1294 PolarHBondContact O-OG1 3.35Å |
| 1291 | F | 82.7 | Confident | 75.8 | Confident | 117 Ų | 117 | 73.8 Ų | 73.8 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.6 | -172.7 | -98 | 0 | 0 | 0 | 112.2 | I1287 Y1288 T1294 V1295 F1296 | I1287-F1291 WeakPolarHBondContact O-CB 3.32Å; I1287-F1291 PolarHBondContact O-N 2.96Å; Y1288-F1291 PolarHBondContact O-N 3.44Å; F1291-T1294 PolarHBondContact O-OG1 2.69Å; F1291-V1295 HydrophobicContact CD2-CG2 3.96Å; F1291-V1295 HydrophobicContact CE1-CB 4.46Å; F1291-V1295 HydrophobicContact CE1-CG2 4.42Å; F1291-V1295 HydrophobicContact CE2-CG2 3.78Å; F1291-V1295 HydrophobicContact CG-CG2 4.37Å; F1291-V1295 HydrophobicContact CZ-CB 4.43Å; F1291-V1295 HydrophobicContact CZ-CG1 4.42Å; F1291-V1295 HydrophobicContact CZ-CG2 4.02Å; F1291-V1295 WeakPolarHBondContact O-CB 3.17Å; F1291-V1295 WeakPolarHBondContact O-CG2 3.45Å; F1291-V1295 PolarHBondContact O-N 2.93Å; F1291-F1296 HydrophobicContact CE1-CD2 4.21Å; F1291-F1296 AromaticContact CE1-CE2 3.97Å; F1291-F1296 HydrophobicContact CE1-CE2 3.97Å |
| 1292 | Y | 75.4 | Confident | 73.9 | Confident | 98 Ų | 98 | 75.9 Ų | 75.9 | 38% | 0.384 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -66.4 | -39.5 | 178.4 | -171.6 | -83.8 | 0 | 0 | 0 | 112.5 | Y1288 F1296 S1297 | Y1288-Y1292 VanDerWaalsContact O-CB 3.23Å; Y1288-Y1292 WeakPolarHBondContact O-CB 3.43Å; Y1288-Y1292 PolarHBondContact O-N 3.29Å; Y1292-F1296 HydrophobicContact CD2-CB 4.13Å; Y1292-F1296 HydrophobicContact CE2-CB 4.15Å; Y1292-F1296 PolarHBondContact O-N 3.02Å; Y1292-S1297 WeakPolarHBondContact O-CB 3.42Å; Y1292-S1297 PolarHBondContact O-N 3.24Å; Y1292-S1297 VanDerWaalsContact O-N 3.12Å |
| 1293 | S | 70.8 | Confident | 72 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | I | π-helix | trans | -70.7 | -34.2 | 179.7 | 68.6 | 0 | 0 | 0 | 0 | 113 | R1289 Y1290 | R1289-S1293 VanDerWaalsContact O-CB 3.31Å; R1289-S1293 WeakPolarHBondContact O-CB 3.28Å; R1289-S1293 PolarHBondContact O-N 2.89Å; R1289-S1293 PolarHBondContact O-OG 3.01Å; R1289-S1293 VanDerWaalsContact O-OG 3.13Å; Y1290-S1293 PolarHBondContact O-OG 2.94Å; Y1290-S1293 VanDerWaalsContact O-OG 3.05Å |
| 1294 | T | 72.5 | Confident | 69.9 | Low | 68 Ų | 68 | 77.9 Ų | 77.9 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -80 | -48.1 | 178 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | Y1290 F1291 | Y1290-T1294 HydrophobicContact CE1-CG2 4.34Å; Y1290-T1294 HydrophobicContact CE2-CG2 4.48Å; Y1290-T1294 WeakPolarHBondContact O-CB 3.31Å; Y1290-T1294 WeakPolarHBondContact O-CG2 3.4Å; Y1290-T1294 PolarHBondContact O-N 3.48Å; Y1290-T1294 VanDerWaalsContact O-N 3.13Å; Y1290-T1294 PolarHBondContact O-OG1 3.35Å; F1291-T1294 PolarHBondContact O-OG1 2.69Å |
| 1295 | V | 65.5 | Low | 68.2 | Low | 76 Ų | 76 | 81.8 Ų | 81.8 | 46% | 0.461 | 39% | 0.387 | S | S | . | . | I | π-helix | trans | -91.8 | -44.9 | -168.7 | -177.2 | 0 | 0 | 0 | 0 | 113.7 | F1291 | F1291-V1295 HydrophobicContact CD2-CG2 3.96Å; F1291-V1295 HydrophobicContact CE1-CB 4.46Å; F1291-V1295 HydrophobicContact CE1-CG2 4.42Å; F1291-V1295 HydrophobicContact CE2-CG2 3.78Å; F1291-V1295 HydrophobicContact CG-CG2 4.37Å; F1291-V1295 HydrophobicContact CZ-CB 4.43Å; F1291-V1295 HydrophobicContact CZ-CG1 4.42Å; F1291-V1295 HydrophobicContact CZ-CG2 4.02Å; F1291-V1295 WeakPolarHBondContact O-CB 3.17Å; F1291-V1295 WeakPolarHBondContact O-CG2 3.45Å; F1291-V1295 PolarHBondContact O-N 2.93Å |
| 1296 | F | 58.5 | Low | 66.7 | Low | 109 Ų | 109 | 80.5 Ų | 80.5 | 48% | 0.478 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -108.1 | -18.7 | -163.5 | -85.8 | -79.6 | 0 | 0 | 0 | 115.8 | F1291 Y1292 Q1298 | F1291-F1296 HydrophobicContact CE1-CD2 4.21Å; F1291-F1296 AromaticContact CE1-CE2 3.97Å; F1291-F1296 HydrophobicContact CE1-CE2 3.97Å; Y1292-F1296 HydrophobicContact CD2-CB 4.13Å; Y1292-F1296 HydrophobicContact CE2-CB 4.15Å; Y1292-F1296 PolarHBondContact O-N 3.02Å; F1296-Q1298 PolarHBondContact O-N 3.4Å |
| 1297 | S | 57.1 | Low | 65.2 | Low | 18 Ų | 18 | 82 Ų | 82 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | trans | -94 | 93.2 | -167.7 | -171.5 | 0 | 0 | 0 | 0 | 113 | Y1292 K1299 A1300 Q1301 | Y1292-S1297 WeakPolarHBondContact O-CB 3.42Å; Y1292-S1297 PolarHBondContact O-N 3.24Å; Y1292-S1297 VanDerWaalsContact O-N 3.12Å; S1297-K1299 PolarHBondContact O-N 3.44Å; S1297-K1299 VanDerWaalsContact O-N 3.16Å; S1297-A1300 PolarHBondContact O-N 3.21Å; S1297-A1300 WeakPolarHBondContact OG-CB 3.31Å; S1297-A1300 PolarHBondContact OG-N 3.49Å; S1297-Q1301 WeakPolarHBondContact O-CG 3.14Å; S1297-Q1301 PolarHBondContact O-N 3.14Å | ||
| 1298 | Q | 51.2 | Low | 63.6 | Low | 105 Ų | 105 | 82.5 Ų | 82.5 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -46.7 | -39.4 | 163.5 | -84.2 | 158.4 | -39.1 | 0 | 0 | 111.6 | E955 F1296 Q1301 L1302 | E955-Q1298 PolarHBondContact OE1-NE2 2.77Å; F1296-Q1298 PolarHBondContact O-N 3.4Å; Q1298-Q1301 PolarHBondContact O-N 3.32Å; Q1298-L1302 WeakPolarHBondContact O-CB 3.37Å; Q1298-L1302 PolarHBondContact O-N 3.21Å |
| 1299 | K | 52.5 | Low | 62.4 | Low | 47 Ų | 47 | 80.9 Ų | 80.9 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.5 | -166.5 | -177.4 | -174.4 | 177.2 | 0 | 112.7 | D1140 L1155 S1297 T1303 | D1140-K1299 IonicContact OD2-NZ 3.95Å; D1140-K1299 PolarHBondContact OD2-NZ 2.99Å; L1155-K1299 HydrophobicContact CD1-CD 3.6Å; L1155-K1299 HydrophobicContact CD1-CG 4.26Å; S1297-K1299 PolarHBondContact O-N 3.44Å; S1297-K1299 VanDerWaalsContact O-N 3.16Å; K1299-T1303 WeakPolarHBondContact O-CB 3.39Å; K1299-T1303 PolarHBondContact O-N 3.13Å; K1299-T1303 PolarHBondContact O-OG1 3.06Å |
| 1300 | A | 49.9 | Very low | 61.4 | Low | 30 Ų | 30 | 79.4 Ų | 79.4 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.7 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1297 L1302 T1303 H1304 | S1297-A1300 PolarHBondContact O-N 3.21Å; S1297-A1300 WeakPolarHBondContact OG-CB 3.31Å; S1297-A1300 PolarHBondContact OG-N 3.49Å; A1300-L1302 VanDerWaalsContact C-N 3.33Å; A1300-L1302 PolarHBondContact O-N 3.36Å; A1300-T1303 PolarHBondContact O-N 3.46Å; A1300-H1304 WeakPolarHBondContact O-CB 3.41Å; A1300-H1304 PolarHBondContact O-N 3.13Å |
| 1301 | Q | 49.8 | Very low | 60.5 | Low | 99 Ų | 99 | 76.6 Ų | 76.6 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 174.7 | -68.8 | 176.7 | -0.3 | 0 | 0 | 111.7 | S1297 Q1298 K1305 | S1297-Q1301 WeakPolarHBondContact O-CG 3.14Å; S1297-Q1301 PolarHBondContact O-N 3.14Å; Q1298-Q1301 PolarHBondContact O-N 3.32Å; Q1301-K1305 WeakPolarHBondContact O-CB 3.38Å; Q1301-K1305 PolarHBondContact O-N 3.39Å |
| 1302 | L | 56.1 | Low | 59.6 | Low | 44 Ų | 44 | 77.3 Ų | 77.3 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.1 | -48 | 173.1 | -170 | 75.3 | 0 | 0 | 0 | 111.9 | L1152 Q1298 A1300 H1304 K1305 L1306 | L1152-L1302 HydrophobicContact CD1-CD2 4.25Å; L1152-L1302 HydrophobicContact CD2-CD2 3.83Å; L1152-L1302 HydrophobicContact CG-CD2 4.36Å; Q1298-L1302 WeakPolarHBondContact O-CB 3.37Å; Q1298-L1302 PolarHBondContact O-N 3.21Å; A1300-L1302 VanDerWaalsContact C-N 3.33Å; A1300-L1302 PolarHBondContact O-N 3.36Å; L1302-H1304 VanDerWaalsContact C-N 3.3Å; L1302-H1304 PolarHBondContact O-N 2.74Å; L1302-K1305 WeakPolarHBondContact O-CB 3.22Å; L1302-K1305 PolarHBondContact O-N 3.21Å; L1302-K1305 VanDerWaalsContact O-N 3.14Å; L1302-L1306 HydrophobicContact CD2-CD1 4.24Å; L1302-L1306 HydrophobicContact CG-CD1 3.91Å; L1302-L1306 HydrophobicContact CG-CG 4.36Å; L1302-L1306 VanDerWaalsContact O-CG 3.31Å; L1302-L1306 WeakPolarHBondContact O-CG 3.41Å; L1302-L1306 PolarHBondContact O-N 2.92Å |
| 1303 | T | 53.8 | Low | 58.9 | Low | 34 Ų | 34 | 78.6 Ų | 78.6 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 180 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | K1299 A1300 L1306 Q1307 | K1299-T1303 WeakPolarHBondContact O-CB 3.39Å; K1299-T1303 PolarHBondContact O-N 3.13Å; K1299-T1303 PolarHBondContact O-OG1 3.06Å; A1300-T1303 PolarHBondContact O-N 3.46Å; T1303-L1306 PolarHBondContact O-N 3.16Å; T1303-Q1307 WeakPolarHBondContact O-CB 3.45Å; T1303-Q1307 WeakPolarHBondContact O-CG 3.3Å; T1303-Q1307 PolarHBondContact O-N 3.18Å |
| 1304 | H | 52.7 | Low | 58.4 | Low | 103 Ų | 103 | 81.3 Ų | 81.3 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 175.6 | 177.8 | -126.3 | 0 | 0 | 0 | 112.9 | A1300 L1302 K1308 | A1300-H1304 WeakPolarHBondContact O-CB 3.41Å; A1300-H1304 PolarHBondContact O-N 3.13Å; L1302-H1304 VanDerWaalsContact C-N 3.3Å; L1302-H1304 PolarHBondContact O-N 2.74Å; H1304-K1308 WeakPolarHBondContact NE2-CE 3.31Å; H1304-K1308 WeakPolarHBondContact O-CG 3.3Å; H1304-K1308 PolarHBondContact O-N 3.26Å |
| 1305 | K | 58.2 | Low | 57.9 | Low | 136 Ų | 136 | 85.4 Ų | 85.4 | 59% | 0.591 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.4 | -53 | 167.3 | -102.5 | -168.3 | 172.8 | -170.3 | 0 | 111.2 | Q1301 L1302 Q1307 K1308 E1309 | Q1301-K1305 WeakPolarHBondContact O-CB 3.38Å; Q1301-K1305 PolarHBondContact O-N 3.39Å; L1302-K1305 WeakPolarHBondContact O-CB 3.22Å; L1302-K1305 PolarHBondContact O-N 3.21Å; L1302-K1305 VanDerWaalsContact O-N 3.14Å; K1305-Q1307 VanDerWaalsContact C-N 3.31Å; K1305-Q1307 PolarHBondContact O-N 3.34Å; K1305-K1308 CarbonylContact O-C 3.53Å; K1305-K1308 WeakPolarHBondContact O-CA 3.31Å; K1305-K1308 WeakPolarHBondContact O-CB 3.41Å; K1305-K1308 PolarHBondContact O-N 3.21Å; K1305-E1309 WeakPolarHBondContact O-CG 3.4Å; K1305-E1309 PolarHBondContact O-N 2.98Å |
| 1306 | L | 58.5 | Low | 57.4 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 9% | 0.094 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63 | -36 | -178.1 | -67 | 169.6 | 0 | 0 | 0 | 111.9 | H1145 L1302 T1303 E1309 E1310 | H1145-L1306 HydrophobicContact CB-CD1 4.14Å; L1302-L1306 HydrophobicContact CD2-CD1 4.24Å; L1302-L1306 HydrophobicContact CG-CD1 3.91Å; L1302-L1306 HydrophobicContact CG-CG 4.36Å; L1302-L1306 VanDerWaalsContact O-CG 3.31Å; L1302-L1306 WeakPolarHBondContact O-CG 3.41Å; L1302-L1306 PolarHBondContact O-N 2.92Å; T1303-L1306 PolarHBondContact O-N 3.16Å; L1306-E1309 PolarHBondContact O-N 3.11Å; L1306-E1310 WeakPolarHBondContact O-CG 3.26Å; L1306-E1310 PolarHBondContact O-N 3.46Å |
| 1307 | Q | 59.9 | Low | 56.8 | Low | 106 Ų | 106 | 91.9 Ų | 91.9 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 170.6 | -76.5 | 176.9 | -60.9 | 0 | 0 | 112.2 | T1303 K1305 E1309 E1310 E1311 | T1303-Q1307 WeakPolarHBondContact O-CB 3.45Å; T1303-Q1307 WeakPolarHBondContact O-CG 3.3Å; T1303-Q1307 PolarHBondContact O-N 3.18Å; K1305-Q1307 VanDerWaalsContact C-N 3.31Å; K1305-Q1307 PolarHBondContact O-N 3.34Å; Q1307-E1309 PolarHBondContact O-N 3.22Å; Q1307-E1310 PolarHBondContact O-N 2.95Å; Q1307-E1311 PolarHBondContact O-N 3.34Å |
| 1308 | K | 58.7 | Low | 56.2 | Low | 113 Ų | 113 | 96.5 Ų | 96.5 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -23.9 | 173.5 | -77.8 | -171.7 | 174.1 | -174.5 | 0 | 113.4 | H1304 K1305 K1312 | H1304-K1308 WeakPolarHBondContact NE2-CE 3.31Å; H1304-K1308 WeakPolarHBondContact O-CG 3.3Å; H1304-K1308 PolarHBondContact O-N 3.26Å; K1305-K1308 CarbonylContact O-C 3.53Å; K1305-K1308 WeakPolarHBondContact O-CA 3.31Å; K1305-K1308 WeakPolarHBondContact O-CB 3.41Å; K1305-K1308 PolarHBondContact O-N 3.21Å; K1308-K1312 VanDerWaalsContact O-CG 3.28Å; K1308-K1312 WeakPolarHBondContact O-CG 3.34Å; K1308-K1312 PolarHBondContact O-N 2.92Å |
| 1309 | E | 61.9 | Low | 56 | Low | 92 Ų | 92 | 101.4 Ų | 101.4 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.7 | -42.4 | 173.4 | -74.3 | 159.4 | -170.7 | 0 | 0 | 111.1 | K1305 L1306 Q1307 E1311 K1312 E1313 | K1305-E1309 WeakPolarHBondContact O-CG 3.4Å; K1305-E1309 PolarHBondContact O-N 2.98Å; L1306-E1309 PolarHBondContact O-N 3.11Å; Q1307-E1309 PolarHBondContact O-N 3.22Å; E1309-E1311 VanDerWaalsContact C-N 3.34Å; E1309-E1311 PolarHBondContact O-N 3.42Å; E1309-K1312 WeakPolarHBondContact O-CB 3.28Å; E1309-K1312 PolarHBondContact O-N 3.48Å; E1309-K1312 VanDerWaalsContact O-N 3.09Å; E1309-E1313 PolarHBondContact O-N 2.87Å |
| 1310 | E | 60.3 | Low | 55.5 | Low | 38 Ų | 38 | 104.4 Ų | 104.4 | 18% | 0.178 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 169.1 | -75 | -174.3 | 147 | 0 | 0 | 112.6 | K1142 H1145 L1306 Q1307 K1312 E1313 C1314 | K1142-E1310 VanDerWaalsContact CD-OE1 3.28Å; K1142-E1310 WeakPolarHBondContact CD-OE1 3.13Å; K1142-E1310 IonicContact NZ-OE1 2.69Å; K1142-E1310 PolarHBondContact NZ-OE1 3.16Å; K1142-E1310 IonicContact NZ-OE2 3.65Å; K1142-E1310 PolarHBondContact NZ-OE2 3.21Å; H1145-E1310 IonicContact CD2-OE1 2.81Å; H1145-E1310 IonicContact CE1-OE1 3.13Å; H1145-E1310 VanDerWaalsContact NE2-CD 3.27Å; H1145-E1310 IonicContact NE2-OE1 2.63Å; H1145-E1310 PolarHBondContact NE2-OE1 2.97Å; H1145-E1310 IonicContact NE2-OE2 2.77Å; L1306-E1310 WeakPolarHBondContact O-CG 3.26Å; L1306-E1310 PolarHBondContact O-N 3.46Å; Q1307-E1310 PolarHBondContact O-N 2.95Å; E1310-K1312 VanDerWaalsContact C-N 3.26Å; E1310-K1312 PolarHBondContact O-N 3.27Å; E1310-E1313 PolarHBondContact O-N 2.85Å; E1310-C1314 WeakPolarHBondContact O-CB 3.08Å; E1310-C1314 PolarHBondContact O-N 3.1Å |
| 1311 | E | 64.4 | Low | 55 | Low | 107 Ų | 107 | 108.6 Ų | 108.6 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -33.4 | 174.3 | -81.7 | -169.2 | -157.7 | 0 | 0 | 112.7 | Q1307 E1309 K1315 | Q1307-E1311 PolarHBondContact O-N 3.34Å; E1309-E1311 VanDerWaalsContact C-N 3.34Å; E1309-E1311 PolarHBondContact O-N 3.42Å; E1311-K1315 WeakPolarHBondContact O-CB 3.48Å; E1311-K1315 WeakPolarHBondContact O-CD 3.46Å; E1311-K1315 VanDerWaalsContact O-CG 3.22Å; E1311-K1315 WeakPolarHBondContact O-CG 3.27Å; E1311-K1315 PolarHBondContact O-N 3.02Å; E1311-K1315 VanDerWaalsContact O-N 3.11Å; E1311-K1315 IonicContact OE2-NZ 3.59Å; E1311-K1315 PolarHBondContact OE2-NZ 2.69Å |
| 1312 | K | 63.8 | Low | 54.4 | Low | 133 Ų | 133 | 109.5 Ų | 109.5 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.2 | -43.9 | 174.5 | -75.1 | 170 | 179.2 | -176 | 0 | 111.2 | K1308 E1309 E1310 C1314 K1315 H1316 | K1308-K1312 VanDerWaalsContact O-CG 3.28Å; K1308-K1312 WeakPolarHBondContact O-CG 3.34Å; K1308-K1312 PolarHBondContact O-N 2.92Å; E1309-K1312 WeakPolarHBondContact O-CB 3.28Å; E1309-K1312 PolarHBondContact O-N 3.48Å; E1309-K1312 VanDerWaalsContact O-N 3.09Å; E1310-K1312 VanDerWaalsContact C-N 3.26Å; E1310-K1312 PolarHBondContact O-N 3.27Å; K1312-C1314 VanDerWaalsContact C-N 3.34Å; K1312-C1314 PolarHBondContact O-N 3.28Å; K1312-K1315 PolarHBondContact O-N 3.31Å; K1312-K1315 VanDerWaalsContact O-N 3.14Å; K1312-H1316 WeakPolarHBondContact O-CB 3.49Å; K1312-H1316 PolarHBondContact O-CD2 3.24Å; K1312-H1316 PolarHBondContact O-N 2.95Å |
| 1313 | E | 61.1 | Low | 53.6 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.4 | -45.4 | 173.3 | -71.8 | -162.8 | 150.8 | 0 | 0 | 111.6 | E1309 E1310 K1315 H1316 K1317 | E1309-E1313 PolarHBondContact O-N 2.87Å; E1310-E1313 PolarHBondContact O-N 2.85Å; E1313-K1315 VanDerWaalsContact C-N 3.26Å; E1313-K1315 PolarHBondContact O-N 2.92Å; E1313-H1316 PolarHBondContact O-N 3.35Å; E1313-H1316 VanDerWaalsContact O-N 3.16Å; E1313-K1317 PolarHBondContact O-N 2.85Å |
| 1314 | C | 59.2 | Low | 52.8 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 72% | 0.716 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -27.3 | 176.8 | -85.9 | 0 | 0 | 0 | 0 | 113.5 | E1310 K1312 | E1310-C1314 WeakPolarHBondContact O-CB 3.08Å; E1310-C1314 PolarHBondContact O-N 3.1Å; K1312-C1314 VanDerWaalsContact C-N 3.34Å; K1312-C1314 PolarHBondContact O-N 3.28Å |
| 1315 | K | 62.8 | Low | 52.1 | Low | 154 Ų | 154 | 122.9 Ų | 122.9 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -83.4 | -23.9 | 173.3 | -73.4 | 164.7 | -174.1 | 160.4 | 0 | 113.2 | E1311 K1312 E1313 | E1311-K1315 WeakPolarHBondContact O-CB 3.48Å; E1311-K1315 WeakPolarHBondContact O-CD 3.46Å; E1311-K1315 VanDerWaalsContact O-CG 3.22Å; E1311-K1315 WeakPolarHBondContact O-CG 3.27Å; E1311-K1315 PolarHBondContact O-N 3.02Å; E1311-K1315 VanDerWaalsContact O-N 3.11Å; E1311-K1315 IonicContact OE2-NZ 3.59Å; E1311-K1315 PolarHBondContact OE2-NZ 2.69Å; K1312-K1315 PolarHBondContact O-N 3.31Å; K1312-K1315 VanDerWaalsContact O-N 3.14Å; E1313-K1315 VanDerWaalsContact C-N 3.26Å; E1313-K1315 PolarHBondContact O-N 2.92Å |
| 1316 | H | 56 | Low | 51.3 | Low | 160 Ų | 160 | 123.6 Ų | 123.6 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -98.2 | -10.9 | -178.9 | -83.4 | -62.8 | 0 | 0 | 0 | 115.7 | K1312 E1313 P1318 | K1312-H1316 WeakPolarHBondContact O-CB 3.49Å; K1312-H1316 PolarHBondContact O-CD2 3.24Å; K1312-H1316 PolarHBondContact O-N 2.95Å; E1313-H1316 PolarHBondContact O-N 3.35Å; E1313-H1316 VanDerWaalsContact O-N 3.16Å; H1316-P1318 VanDerWaalsContact O-CD 3.3Å; H1316-P1318 WeakPolarHBondContact O-CD 3.42Å |
| 1317 | K | 45.5 | Very low | 50.2 | Low | 162 Ų | 162 | 131.7 Ų | 131.7 | 70% | 0.704 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -64.4 | 118.7 | 166.8 | -80 | -168.4 | 173.4 | -168.2 | 0 | 109.9 | E1313 | E1313-K1317 PolarHBondContact O-N 2.85Š|
| 1318 | P | 45 | Very low | 49.7 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | trans | -61.8 | 146.9 | 171.9 | 27.6 | -34 | 0 | 0 | 0 | 109.2 | H1316 S1320 | H1316-P1318 VanDerWaalsContact O-CD 3.3Å; H1316-P1318 WeakPolarHBondContact O-CD 3.42Å; P1318-S1320 VanDerWaalsContact C-N 3.27Å; P1318-S1320 PolarHBondContact O-N 2.94Å | ||
| 1319 | K | 45.1 | Very low | 48.6 | Very low | 208 Ų | 208 | 138.4 Ų | 138.4 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | trans | -67.9 | 86.4 | 174.9 | -71 | -179.3 | 178.6 | 177 | 0 | 109.4 | T1321 | K1319-T1321 PolarHBondContact O-N 3.4Å; K1319-T1321 VanDerWaalsContact O-N 3.11Å | ||
| 1320 | S | 42.7 | Very low | 47.9 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -58.3 | 114.5 | 172.9 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | P1318 | P1318-S1320 VanDerWaalsContact C-N 3.27Å; P1318-S1320 PolarHBondContact O-N 2.94Å | ||
| 1321 | T | 38.7 | Very low | 47.3 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -49.5 | 137.3 | 178.5 | -42 | 0 | 0 | 0 | 0 | 110.5 | K1319 T1323 | K1319-T1321 PolarHBondContact O-N 3.4Å; K1319-T1321 VanDerWaalsContact O-N 3.11Å; T1321-T1323 VanDerWaalsContact C-N 3.35Å; T1321-T1323 PolarHBondContact O-N 3.24Å; T1321-T1323 PolarHBondContact O-OG1 2.66Å | ||
| 1322 | P | 39.1 | Very low | 46.3 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -70.6 | 90.3 | 179.6 | 28.5 | -34.9 | 0 | 0 | 0 | 110.6 | K1324 | P1322-K1324 PolarHBondContact O-N 3.29Å; P1322-K1324 VanDerWaalsContact O-N 3.1Å | ||
| 1323 | T | 38.6 | Very low | 45.3 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -61 | 112.6 | 175.7 | -43.4 | 0 | 0 | 0 | 0 | 109.4 | T1321 I1325 | T1321-T1323 VanDerWaalsContact C-N 3.35Å; T1321-T1323 PolarHBondContact O-N 3.24Å; T1321-T1323 PolarHBondContact O-OG1 2.66Å; T1323-I1325 VanDerWaalsContact C-N 3.33Å; T1323-I1325 PolarHBondContact O-N 3.4Å | ||
| 1324 | K | 36 | Very low | 44.3 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 89.6 | 173.4 | -74.5 | -177 | 176.3 | 179.2 | 0 | 109.8 | P1322 L1326 | P1322-K1324 PolarHBondContact O-N 3.29Å; P1322-K1324 VanDerWaalsContact O-N 3.1Å; K1324-L1326 PolarHBondContact O-N 3.21Å; K1324-L1326 VanDerWaalsContact O-N 3.13Å | ||
| 1325 | I | 38.8 | Very low | 43.3 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -70.6 | 103.7 | 163.9 | -60.6 | 176.9 | 0 | 0 | 0 | 106.7 | T1323 | T1323-I1325 VanDerWaalsContact C-N 3.33Å; T1323-I1325 PolarHBondContact O-N 3.4Å | ||
| 1326 | L | 40.7 | Very low | 41.9 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -66.2 | 133.2 | 168.6 | -80.6 | 95 | 0 | 0 | 0 | 109.2 | K1324 G1328 | K1324-L1326 PolarHBondContact O-N 3.21Å; K1324-L1326 VanDerWaalsContact O-N 3.13Å; L1326-G1328 PolarHBondContact O-N 2.88Å; L1326-G1328 VanDerWaalsContact O-N 3.14Å | ||
| 1327 | H | 35.4 | Very low | 40.8 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | -71.8 | 100 | 158.1 | -80.7 | -10.2 | 0 | 0 | 0 | 109 | ||||
| 1328 | G | 50.1 | Low | 40.5 | Very low | 71 Ų | 71 | 152.5 Ų | 152.5 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | -69 | 151 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1326 | L1326-G1328 PolarHBondContact O-N 2.88Å; L1326-G1328 VanDerWaalsContact O-N 3.14Å | ||
| 1329 | K | 35.4 | Very low | 40 | Very low | 289 Ų | 289 | 156 Ų | 156 | 100% | 1.257 | 83% | 0.833 | S | S | * | * | trans | -84.7 | 0 | 166.6 | -72.5 | -180 | 175.1 | 178.5 | 0 | 110.3 |
Retrieved 1,329 of 1,329 residues in 1443.8 ms
(Link to these results)