| 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 | 74.2 | Confident | 86.6 | Confident | 109 Ų | 109 | 92.8 Ų | 92.8 | 54% | 0.537 | 46% | 0.464 | S | S | . | . | 0 | 161.1 | 0 | -70 | -160 | -64 | 0 | 0 | 109.2 | S3 E4 D143 | M1-S3 PolarHBondContact O-N 3.18Å; M1-E4 PolarHBondContact N-OE1 2.91Å; M1-E4 PolarHBondContact N-OE2 3.45Å; M1-E4 WeakPolarHBondContact O-CB 3.44Å; M1-E4 PolarHBondContact O-N 3.4Å; M1-D143 WeakPolarHBondContact CA-OD2 3.48Å | |||
| 2 | T | 75 | Confident | 87.5 | Confident | 8 Ų | 8 | 85.7 Ų | 85.7 | 5% | 0.049 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -58.6 | -32.4 | 175.1 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | E4 V5 V6 D143 V174 V183 R185 | T2-E4 PolarHBondContact O-N 2.77Å; T2-V5 PolarHBondContact O-N 3.27Å; T2-V6 WeakPolarHBondContact O-CB 3.3Å; T2-V6 PolarHBondContact O-N 3.47Å; T2-D143 WeakPolarHBondContact CG2-OD1 3.41Å; T2-D143 PolarHBondContact N-OD2 3.46Å; T2-D143 WeakPolarHBondContact OG1-CB 3.32Å; T2-D143 PolarHBondContact OG1-N 3.21Å; T2-D143 PolarHBondContact OG1-OD1 3.17Å; T2-D143 PolarHBondContact OG1-OD2 3.37Å; T2-V174 HydrophobicContact CG2-CG1 4.34Å; T2-V183 HydrophobicContact CG2-CB 4.45Å; T2-V183 HydrophobicContact CG2-CG1 4.24Å; T2-V183 HydrophobicContact CG2-CG2 3.69Å; T2-R185 VanDerWaalsContact CG2-NH2 3.26Å |
| 3 | S | 75.5 | Confident | 88.3 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -62 | -11.7 | 177.2 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | M1 | M1-S3 PolarHBondContact O-N 3.18Š|
| 4 | E | 82.3 | Confident | 89 | Confident | 145 Ų | 145 | 78.4 Ų | 78.4 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -91.1 | -18.5 | 176.2 | -66.7 | 156.3 | -160.3 | 0 | 0 | 112.5 | M1 T2 | M1-E4 PolarHBondContact N-OE1 2.91Å; M1-E4 PolarHBondContact N-OE2 3.45Å; M1-E4 WeakPolarHBondContact O-CB 3.44Å; M1-E4 PolarHBondContact O-N 3.4Å; T2-E4 PolarHBondContact O-N 2.77Å |
| 5 | V | 86.9 | Confident | 89.6 | Confident | 50 Ų | 50 | 80.4 Ų | 80.4 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -19.3 | -175.1 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | T2 V174 M176 V183 | T2-V5 PolarHBondContact O-N 3.27Å; V5-V174 HydrophobicContact CG2-CG1 3.9Å; V5-M176 HydrophobicContact CB-CB 4.28Å; V5-M176 HydrophobicContact CG2-CB 4.49Å; V5-V183 HydrophobicContact CG2-CG1 3.96Å |
| 6 | V | 88.2 | Confident | 90.1 | Very high | 20 Ų | 20 | 75.8 Ų | 75.8 | 12% | 0.121 | 38% | 0.379 | C | S | . | . | trans | -100.5 | 102.3 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | T2 F12 M176 V183 | T2-V6 WeakPolarHBondContact O-CB 3.3Å; T2-V6 PolarHBondContact O-N 3.47Å; V6-F12 HydrophobicContact CG1-CB 3.69Å; V6-F12 HydrophobicContact CG1-CD2 4.2Å; V6-F12 HydrophobicContact CG1-CG 3.91Å; V6-F12 HydrophobicContact CG2-CD2 3.86Å; V6-F12 HydrophobicContact CG2-CE2 4.06Å; V6-F12 HydrophobicContact CG2-CG 4.31Å; V6-M176 HydrophobicContact CG2-SD 4.47Å; V6-V183 HydrophobicContact CG2-CG1 4.22Å | ||
| 7 | E | 86.9 | Confident | 90.4 | Very high | 202 Ų | 202 | 75.4 Ų | 75.4 | 94% | 0.944 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -75.4 | -38.1 | -179 | -62.2 | -175.4 | 169.2 | 0 | 0 | 112.7 | ||
| 8 | N | 94.7 | Very high | 90.8 | Very high | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | trans | -135.6 | 110.3 | -177.3 | -176.9 | -32.5 | 0 | 0 | 0 | 110.1 | F10 E11 F12 | N8-F10 VanDerWaalsContact C-N 3.34Å; N8-F10 PolarHBondContact O-N 2.56Å; N8-F10 WeakPolarHBondContact OD1-CB 3.36Å; N8-F10 PolarHBondContact OD1-N 2.93Å; N8-E11 HydrophobicContact CB-CB 4.04Å; N8-E11 HydrophobicContact CB-CG 4.19Å; N8-E11 PolarHBondContact O-N 3.32Å; N8-E11 PolarHBondContact OD1-N 3.28Å; N8-E11 VanDerWaalsContact OD1-N 3.08Å; N8-F12 WeakPolarHBondContact O-CB 3.41Å; N8-F12 PolarHBondContact O-N 3.22Å | ||
| 9 | E | 95.6 | Very high | 91.2 | Very high | 89 Ų | 89 | 79.1 Ų | 79.1 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | -178.1 | -175.8 | 174.5 | 98.6 | 0 | 0 | 112.7 | F12 Y13 T142 H145 | E9-F12 WeakPolarHBondContact O-CB 3.41Å; E9-F12 PolarHBondContact O-N 3.48Å; E9-Y13 HydrophobicContact CG-CD2 3.77Å; E9-Y13 HydrophobicContact CG-CE2 3.47Å; E9-Y13 VanDerWaalsContact CG-CE2 3.47Å; E9-Y13 WeakPolarHBondContact O-CD2 3.4Å; E9-Y13 PolarHBondContact O-N 3.42Å; E9-Y13 VanDerWaalsContact O-N 3.14Å; E9-T142 HydrophobicContact CG-CG2 3.9Å; E9-T142 WeakPolarHBondContact OE2-CG2 3.19Å; E9-T142 PolarHBondContact OE2-OG1 2.96Å; E9-H145 IonicContact OE1-CE1 2.75Å; E9-H145 PolarHBondContact OE1-CE1 2.86Å; E9-H145 VanDerWaalsContact OE1-CE1 3.24Å; E9-H145 IonicContact OE2-CE1 3.25Å; E9-H145 IonicContact OE2-ND1 2.81Å |
| 10 | F | 96 | Very high | 91.5 | Very high | 158 Ų | 158 | 77.4 Ų | 77.4 | 69% | 0.693 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 178 | 175 | -92.4 | 0 | 0 | 0 | 111.6 | N8 S14 | N8-F10 VanDerWaalsContact C-N 3.34Å; N8-F10 PolarHBondContact O-N 2.56Å; N8-F10 WeakPolarHBondContact OD1-CB 3.36Å; N8-F10 PolarHBondContact OD1-N 2.93Å; F10-S14 WeakPolarHBondContact O-CB 3.46Å; F10-S14 PolarHBondContact O-N 3.09Å; F10-S14 PolarHBondContact O-OG 3.22Å |
| 11 | E | 96.9 | Very high | 91.6 | Very high | 87 Ų | 87 | 80 Ų | 80 | 41% | 0.407 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 175.8 | -74.8 | -169.8 | -159.8 | 0 | 0 | 112.4 | N8 Y13 S14 K15 | N8-E11 HydrophobicContact CB-CB 4.04Å; N8-E11 HydrophobicContact CB-CG 4.19Å; N8-E11 PolarHBondContact O-N 3.32Å; N8-E11 PolarHBondContact OD1-N 3.28Å; N8-E11 VanDerWaalsContact OD1-N 3.08Å; E11-Y13 PolarHBondContact O-N 2.99Å; E11-S14 WeakPolarHBondContact CA-OG 3.43Å; E11-S14 PolarHBondContact O-N 3.48Å; E11-S14 PolarHBondContact O-OG 3.48Å; E11-K15 VanDerWaalsContact O-CB 3.24Å; E11-K15 WeakPolarHBondContact O-CB 3.29Å; E11-K15 VanDerWaalsContact O-CG 3.23Å; E11-K15 WeakPolarHBondContact O-CG 3.12Å; E11-K15 PolarHBondContact O-N 3.12Å; E11-K15 IonicContact OE2-NZ 2.81Å; E11-K15 PolarHBondContact OE2-NZ 3.4Å |
| 12 | F | 97.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 81 Ų | 81 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.5 | -50.7 | 176.2 | 172 | -102.2 | 0 | 0 | 0 | 111.6 | V6 N8 E9 A16 G139 H140 T142 M176 S181 V183 | V6-F12 HydrophobicContact CG1-CB 3.69Å; V6-F12 HydrophobicContact CG1-CD2 4.2Å; V6-F12 HydrophobicContact CG1-CG 3.91Å; V6-F12 HydrophobicContact CG2-CD2 3.86Å; V6-F12 HydrophobicContact CG2-CE2 4.06Å; V6-F12 HydrophobicContact CG2-CG 4.31Å; N8-F12 WeakPolarHBondContact O-CB 3.41Å; N8-F12 PolarHBondContact O-N 3.22Å; E9-F12 WeakPolarHBondContact O-CB 3.41Å; E9-F12 PolarHBondContact O-N 3.48Å; F12-A16 PolarHBondContact O-N 2.99Å; F12-G139 WeakPolarHBondContact CZ-O 3.27Å; F12-H140 WeakPolarHBondContact CE1-O 3.24Å; F12-T142 HydrophobicContact CD1-CG2 4.22Å; F12-T142 HydrophobicContact CE1-CG2 4.25Å; F12-M176 HydrophobicContact CD2-CE 3.95Å; F12-M176 HydrophobicContact CD2-SD 4.31Å; F12-M176 HydrophobicContact CE2-CE 4.24Å; F12-M176 HydrophobicContact CE2-SD 4.22Å; F12-S181 WeakPolarHBondContact CE2-O 3.5Å; F12-S181 PolarHBondContact O-OG 3Å; F12-V183 HydrophobicContact CE2-CG1 4.36Å |
| 13 | Y | 98 | Very high | 93.7 | Very high | 26 Ų | 26 | 81.5 Ų | 81.5 | 10% | 0.102 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -46.9 | 177.8 | -73.5 | -64.1 | 0 | 0 | 0 | 113.1 | E9 E11 K15 A16 E17 Q120 H140 L141 T142 H145 | E9-Y13 HydrophobicContact CG-CD2 3.77Å; E9-Y13 HydrophobicContact CG-CE2 3.47Å; E9-Y13 VanDerWaalsContact CG-CE2 3.47Å; E9-Y13 WeakPolarHBondContact O-CD2 3.4Å; E9-Y13 PolarHBondContact O-N 3.42Å; E9-Y13 VanDerWaalsContact O-N 3.14Å; E11-Y13 PolarHBondContact O-N 2.99Å; Y13-K15 VanDerWaalsContact C-N 3.34Å; Y13-K15 PolarHBondContact O-N 3.16Å; Y13-A16 PolarHBondContact O-N 2.89Å; Y13-E17 WeakPolarHBondContact O-CG 3.35Å; Y13-E17 PolarHBondContact O-N 2.89Å; Y13-Q120 HydrophobicContact CE1-CG 4.38Å; Y13-H140 WeakPolarHBondContact CE1-O 3.14Å; Y13-L141 HydrophobicContact CE1-CD2 4.12Å; Y13-T142 HydrophobicContact CE2-CG2 4.19Å; Y13-T142 PolarHBondContact OH-N 3.37Å; Y13-H145 AromaticContact CE2-ND1 3.62Å; Y13-H145 AromaticContact CZ-ND1 3.56Å; Y13-H145 PolarHBondContact OH-ND1 2.79Å |
| 14 | S | 97.5 | Very high | 94.7 | Very high | 44 Ų | 44 | 81.5 Ų | 81.5 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.1 | -32.7 | -176.2 | 58 | 0 | 0 | 0 | 0 | 113.4 | F10 E11 K18 | F10-S14 WeakPolarHBondContact O-CB 3.46Å; F10-S14 PolarHBondContact O-N 3.09Å; F10-S14 PolarHBondContact O-OG 3.22Å; E11-S14 WeakPolarHBondContact CA-OG 3.43Å; E11-S14 PolarHBondContact O-N 3.48Å; E11-S14 PolarHBondContact O-OG 3.48Å; S14-K18 WeakPolarHBondContact O-CB 3.34Å; S14-K18 PolarHBondContact O-N 3.47Å; S14-K18 VanDerWaalsContact O-N 3.08Å |
| 15 | K | 97.8 | Very high | 95.4 | Very high | 108 Ų | 108 | 76 Ų | 76 | 47% | 0.47 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 173.1 | -74.7 | 170.7 | -177.1 | 160.6 | 0 | 111.3 | E11 Y13 K18 Y19 | E11-K15 VanDerWaalsContact O-CB 3.24Å; E11-K15 WeakPolarHBondContact O-CB 3.29Å; E11-K15 VanDerWaalsContact O-CG 3.23Å; E11-K15 WeakPolarHBondContact O-CG 3.12Å; E11-K15 PolarHBondContact O-N 3.12Å; E11-K15 IonicContact OE2-NZ 2.81Å; E11-K15 PolarHBondContact OE2-NZ 3.4Å; Y13-K15 VanDerWaalsContact C-N 3.34Å; Y13-K15 PolarHBondContact O-N 3.16Å; K15-K18 PolarHBondContact O-N 3.07Å; K15-Y19 PolarHBondContact O-N 3.18Å |
| 16 | A | 97.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 76.7 Ų | 76.7 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F12 Y13 K18 Y19 W20 D180 | F12-A16 PolarHBondContact O-N 2.99Å; Y13-A16 PolarHBondContact O-N 2.89Å; A16-K18 VanDerWaalsContact C-N 3.29Å; A16-K18 PolarHBondContact O-N 2.82Å; A16-Y19 WeakPolarHBondContact O-CB 3.46Å; A16-Y19 PolarHBondContact O-N 2.86Å; A16-W20 VanDerWaalsContact O-CD1 3.26Å; A16-W20 PolarHBondContact O-N 2.94Å; A16-D180 WeakPolarHBondContact CA-O 3.5Å; A16-D180 WeakPolarHBondContact CB-O 3.36Å |
| 17 | E | 96.2 | Very high | 96.3 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 176.7 | -75.3 | -178.5 | -160.7 | 0 | 0 | 112.3 | Y13 K21 V92 | Y13-E17 WeakPolarHBondContact O-CG 3.35Å; Y13-E17 PolarHBondContact O-N 2.89Å; E17-K21 WeakPolarHBondContact O-CG 3.33Å; E17-K21 PolarHBondContact O-N 3.14Å; E17-V92 HydrophobicContact CG-CG2 3.92Å |
| 18 | K | 97.3 | Very high | 96.7 | Very high | 147 Ų | 147 | 71.7 Ų | 71.7 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 176.4 | -173.8 | -179.3 | 177.4 | -174.3 | 0 | 111.2 | S14 K15 A16 W20 K21 | S14-K18 WeakPolarHBondContact O-CB 3.34Å; S14-K18 PolarHBondContact O-N 3.47Å; S14-K18 VanDerWaalsContact O-N 3.08Å; K15-K18 PolarHBondContact O-N 3.07Å; A16-K18 VanDerWaalsContact C-N 3.29Å; A16-K18 PolarHBondContact O-N 2.82Å; K18-W20 PolarHBondContact O-N 3.2Å; K18-K21 PolarHBondContact O-N 2.67Å |
| 19 | Y | 97.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 68.9 Ų | 68.9 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.4 | -52.6 | 176.9 | 173.7 | -92.2 | 0 | 0 | 0 | 111.2 | K15 A16 K21 D22 V23 V179 D180 | K15-Y19 PolarHBondContact O-N 3.18Å; A16-Y19 WeakPolarHBondContact O-CB 3.46Å; A16-Y19 PolarHBondContact O-N 2.86Å; Y19-K21 VanDerWaalsContact C-N 3.28Å; Y19-K21 PolarHBondContact O-N 3.16Å; Y19-D22 PolarHBondContact O-N 2.81Å; Y19-V23 HydrophobicContact CD1-CG2 3.97Å; Y19-V23 HydrophobicContact CE1-CG2 3.52Å; Y19-V23 PolarHBondContact O-N 2.93Å; Y19-V179 HydrophobicContact CD2-CG1 4.49Å; Y19-V179 VanDerWaalsContact CD2-O 3.27Å; Y19-V179 WeakPolarHBondContact CD2-O 3.21Å; Y19-V179 HydrophobicContact CE2-CG1 3.99Å; Y19-D180 HydrophobicContact CD1-CB 3.63Å; Y19-D180 HydrophobicContact CD2-CB 4.16Å; Y19-D180 HydrophobicContact CE1-CB 3.55Å; Y19-D180 HydrophobicContact CE2-CB 4.08Å; Y19-D180 HydrophobicContact CG-CB 3.95Å |
| 20 | W | 97.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 66 Ų | 66 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.3 | -21.2 | -175.8 | -75.9 | 111.6 | 0 | 0 | 0 | 114.3 | A16 K18 D22 V23 M30 F96 H140 | A16-W20 VanDerWaalsContact O-CD1 3.26Å; A16-W20 PolarHBondContact O-N 2.94Å; K18-W20 PolarHBondContact O-N 3.2Å; W20-D22 VanDerWaalsContact C-N 3.29Å; W20-V23 HydrophobicContact CE3-CB 3.92Å; W20-V23 HydrophobicContact CE3-CG1 4.01Å; W20-V23 HydrophobicContact CE3-CG2 3.88Å; W20-V23 HydrophobicContact CZ3-CB 4.32Å; W20-V23 HydrophobicContact CZ3-CG1 3.91Å; W20-V23 HydrophobicContact CZ3-CG2 4.23Å; W20-M30 HydrophobicContact CZ3-CE 4.24Å; W20-F96 HydrophobicContact CB-CE2 4.22Å; W20-F96 HydrophobicContact CD2-CE2 4.39Å; W20-F96 AromaticContact CE3-CE2 3.72Å; W20-F96 HydrophobicContact CE3-CE2 3.72Å; W20-F96 AromaticContact CE3-CZ 3.97Å; W20-F96 HydrophobicContact CE3-CZ 3.97Å; W20-F96 WeakPolarHBondContact O-CZ 3.16Å; W20-H140 AromaticContact CE2-NE2 3.77Å; W20-H140 AromaticContact CZ2-NE2 3.91Å; W20-H140 AromaticContact NE1-CD2 3.89Å; W20-H140 AromaticContact NE1-CE1 3.35Å; W20-H140 PolarHBondContact NE1-CE1 3.35Å; W20-H140 AromaticContact NE1-NE2 3.03Å; W20-H140 PolarHBondContact NE1-NE2 2.75Å |
| 21 | K | 94.8 | Very high | 96.7 | Very high | 133 Ų | 133 | 59.2 Ų | 59.2 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.5 | -31 | 170.5 | -78.5 | 171.6 | -177.6 | 171.3 | 0 | 112.9 | E17 K18 Y19 | E17-K21 WeakPolarHBondContact O-CG 3.33Å; E17-K21 PolarHBondContact O-N 3.14Å; K18-K21 PolarHBondContact O-N 2.67Å; Y19-K21 VanDerWaalsContact C-N 3.28Å; Y19-K21 PolarHBondContact O-N 3.16Å |
| 22 | D | 95.9 | Very high | 96.5 | Very high | 129 Ų | 129 | 57.8 Ų | 57.8 | 69% | 0.69 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -90 | -13 | -178 | -66.7 | -30.2 | 0 | 0 | 0 | 112.5 | Y19 W20 | Y19-D22 PolarHBondContact O-N 2.81Å; W20-D22 VanDerWaalsContact C-N 3.29Å |
| 23 | V | 97.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -72.6 | 131.1 | 178.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | Y19 W20 A25 G29 M30 F96 | Y19-V23 HydrophobicContact CD1-CG2 3.97Å; Y19-V23 HydrophobicContact CE1-CG2 3.52Å; Y19-V23 PolarHBondContact O-N 2.93Å; W20-V23 HydrophobicContact CE3-CB 3.92Å; W20-V23 HydrophobicContact CE3-CG1 4.01Å; W20-V23 HydrophobicContact CE3-CG2 3.88Å; W20-V23 HydrophobicContact CZ3-CB 4.32Å; W20-V23 HydrophobicContact CZ3-CG1 3.91Å; W20-V23 HydrophobicContact CZ3-CG2 4.23Å; V23-A25 PolarHBondContact O-N 2.89Å; V23-G29 WeakPolarHBondContact CG1-O 3.45Å; V23-M30 HydrophobicContact CG1-CE 4.25Å; V23-F96 HydrophobicContact CB-CZ 4.13Å; V23-F96 HydrophobicContact CG1-CZ 4.27Å; V23-F96 WeakPolarHBondContact O-CE1 3.16Å |
| 24 | P | 96.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | trans | -61.2 | 131.5 | 177.2 | -24.4 | 34 | 0 | 0 | 0 | 112.7 | T26 | P24-T26 HydrophobicContact CB-CG2 4.23Å; P24-T26 PolarHBondContact O-N 2.97Å; P24-T26 PolarHBondContact O-OG1 2.78Å | ||
| 25 | A | 97 | Very high | 96 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -70.4 | 66.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | V23 I72 F96 K99 | V23-A25 PolarHBondContact O-N 2.89Å; A25-I72 HydrophobicContact CB-CG2 3.91Å; A25-F96 HydrophobicContact CB-CD1 3.74Å; A25-F96 HydrophobicContact CB-CE1 4.02Å; A25-K99 HydrophobicContact CB-CB 3.89Å; A25-K99 HydrophobicContact CB-CD 4.44Å; A25-K99 HydrophobicContact CB-CG 3.77Å |
| 26 | T | 97.6 | Very high | 95.8 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -138.6 | 161.6 | -174.7 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | P24 D28 G29 M30 | P24-T26 HydrophobicContact CB-CG2 4.23Å; P24-T26 PolarHBondContact O-N 2.97Å; P24-T26 PolarHBondContact O-OG1 2.78Å; T26-D28 PolarHBondContact O-N 3.01Å; T26-G29 PolarHBondContact O-N 2.79Å; T26-G29 PolarHBondContact OG1-N 3.16Å; T26-G29 VanDerWaalsContact OG1-N 3.1Å; T26-M30 WeakPolarHBondContact O-CG 3.38Å; T26-M30 PolarHBondContact O-N 2.84Å |
| 27 | V | 95.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.3 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | L31 I72 R74 Y103 | V27-L31 HydrophobicContact CG1-CD1 4.03Å; V27-L31 WeakPolarHBondContact O-CG 3.2Å; V27-L31 PolarHBondContact O-N 2.8Å; V27-I72 HydrophobicContact CG2-CD1 4.29Å; V27-R74 HydrophobicContact CG1-CG 4.48Å; V27-Y103 HydrophobicContact CG2-CE2 3.96Å; V27-Y103 WeakPolarHBondContact CG2-OH 3.35Å |
| 28 | D | 95.9 | Very high | 95.8 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 43% | 0.428 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -40.3 | 179.8 | -162.2 | 61 | 0 | 0 | 0 | 112 | T26 M30 L31 G32 G33 G35 | T26-D28 PolarHBondContact O-N 3.01Å; D28-M30 VanDerWaalsContact C-N 3.35Å; D28-M30 PolarHBondContact O-N 3.29Å; D28-L31 CarbonylContact O-C 3.56Å; D28-L31 PolarHBondContact O-N 2.97Å; D28-G32 PolarHBondContact O-N 2.88Å; D28-G33 PolarHBondContact O-N 2.69Å; D28-G33 VanDerWaalsContact OD1-C 3.24Å; D28-G33 WeakPolarHBondContact OD1-CA 3.44Å; D28-G33 WeakPolarHBondContact OD2-CA 3.48Å; D28-G35 WeakPolarHBondContact OD1-CA 3.23Å; D28-G35 PolarHBondContact OD1-N 3Å |
| 29 | G | 95.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 54 Ų | 54 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -60.3 | -41.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V23 T26 L31 G32 | V23-G29 WeakPolarHBondContact CG1-O 3.45Å; T26-G29 PolarHBondContact O-N 2.79Å; T26-G29 PolarHBondContact OG1-N 3.16Å; T26-G29 VanDerWaalsContact OG1-N 3.1Å; G29-L31 PolarHBondContact O-N 3.48Å; G29-L31 VanDerWaalsContact O-N 3.16Å; G29-G32 PolarHBondContact O-N 3.2Å |
| 30 | M | 95.6 | Very high | 95.8 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 14% | 0.138 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -65.8 | -15.9 | 175.5 | -57.9 | -56.7 | 83.5 | 0 | 0 | 113.7 | W20 V23 T26 D28 I72 F96 | W20-M30 HydrophobicContact CZ3-CE 4.24Å; V23-M30 HydrophobicContact CG1-CE 4.25Å; T26-M30 WeakPolarHBondContact O-CG 3.38Å; T26-M30 PolarHBondContact O-N 2.84Å; D28-M30 VanDerWaalsContact C-N 3.35Å; D28-M30 PolarHBondContact O-N 3.29Å; M30-I72 HydrophobicContact CG-CD1 4.27Å; M30-I72 HydrophobicContact CG-CG1 3.87Å; M30-I72 HydrophobicContact SD-CG1 4.28Å; M30-I72 HydrophobicContact SD-CG2 4.15Å; M30-F96 HydrophobicContact CE-CD1 4.16Å; M30-F96 HydrophobicContact CE-CD2 4.12Å; M30-F96 HydrophobicContact CE-CE1 3.76Å; M30-F96 HydrophobicContact CE-CE2 3.72Å; M30-F96 HydrophobicContact CE-CG 4.34Å; M30-F96 HydrophobicContact CE-CZ 3.53Å; M30-F96 HydrophobicContact SD-CD2 4.35Å; M30-F96 HydrophobicContact SD-CE2 4.43Å |
| 31 | L | 94.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -118.8 | 13.8 | -175.2 | -64 | 178.2 | 0 | 0 | 0 | 112.1 | V27 D28 G29 G33 Y34 W136 | V27-L31 HydrophobicContact CG1-CD1 4.03Å; V27-L31 WeakPolarHBondContact O-CG 3.2Å; V27-L31 PolarHBondContact O-N 2.8Å; D28-L31 CarbonylContact O-C 3.56Å; D28-L31 PolarHBondContact O-N 2.97Å; G29-L31 PolarHBondContact O-N 3.48Å; G29-L31 VanDerWaalsContact O-N 3.16Å; L31-G33 VanDerWaalsContact C-N 3.25Å; L31-G33 PolarHBondContact O-N 3.41Å; L31-Y34 WeakPolarHBondContact O-CB 3.28Å; L31-Y34 PolarHBondContact O-N 2.97Å; L31-W136 HydrophobicContact CD2-CE3 3.82Å; L31-W136 HydrophobicContact CD2-CH2 3.67Å; L31-W136 HydrophobicContact CD2-CZ3 3.13Å |
| 32 | G | 93.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | D28 G29 | D28-G32 PolarHBondContact O-N 2.88Å; G29-G32 PolarHBondContact O-N 3.2Å |
| 33 | G | 94.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -3.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D28 L31 G35 | D28-G33 PolarHBondContact O-N 2.69Å; D28-G33 VanDerWaalsContact OD1-C 3.24Å; D28-G33 WeakPolarHBondContact OD1-CA 3.44Å; D28-G33 WeakPolarHBondContact OD2-CA 3.48Å; L31-G33 VanDerWaalsContact C-N 3.25Å; L31-G33 PolarHBondContact O-N 3.41Å; G33-G35 VanDerWaalsContact C-N 3.31Å; G33-G35 PolarHBondContact O-N 2.94Å |
| 34 | Y | 93.9 | Very high | 96.3 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | trans | -94.4 | 33.2 | 177.2 | -66.1 | -92.3 | 0 | 0 | 0 | 112.6 | L31 H36 I37 P211 I214 | L31-Y34 WeakPolarHBondContact O-CB 3.28Å; L31-Y34 PolarHBondContact O-N 2.97Å; Y34-H36 AromaticContact CD1-CE1 3.64Å; Y34-H36 PolarHBondContact O-N 3.48Å; Y34-I37 WeakPolarHBondContact O-CG1 3.4Å; Y34-I37 PolarHBondContact O-N 3.46Å; Y34-P211 HydrophobicContact CD1-CG 4.48Å; Y34-I214 HydrophobicContact CD1-CG2 4.24Å; Y34-I214 HydrophobicContact CE1-CG2 3.54Å; Y34-I214 HydrophobicContact CE2-CG2 4.04Å; Y34-I214 VanDerWaalsContact CZ-CG2 3.42Å; Y34-I214 WeakPolarHBondContact OH-CG2 3.46Å | ||
| 35 | G | 94.1 | Very high | 96.4 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 19% | 0.186 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -48.6 | -32.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | D28 G33 I37 S38 | D28-G35 WeakPolarHBondContact OD1-CA 3.23Å; D28-G35 PolarHBondContact OD1-N 3Å; G33-G35 VanDerWaalsContact C-N 3.31Å; G33-G35 PolarHBondContact O-N 2.94Å; G35-I37 VanDerWaalsContact C-N 3.33Å; G35-I37 PolarHBondContact O-N 3.32Å; G35-S38 VanDerWaalsContact O-CB 3.24Å; G35-S38 WeakPolarHBondContact O-CB 3.1Å; G35-S38 PolarHBondContact O-N 3.33Å |
| 36 | H | 95 | Very high | 96.5 | Very high | 132 Ų | 132 | 40.3 Ų | 40.3 | 61% | 0.611 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -65.5 | -26.2 | -179.4 | 64.2 | -84.5 | 0 | 0 | 0 | 114.3 | Y34 S38 | Y34-H36 AromaticContact CD1-CE1 3.64Å; Y34-H36 PolarHBondContact O-N 3.48Å; H36-S38 VanDerWaalsContact C-N 3.31Å; H36-S38 PolarHBondContact O-N 3.1Å |
| 37 | I | 96.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -81.9 | -10.3 | 179.7 | 80.4 | -176.9 | 0 | 0 | 0 | 113.1 | Y34 G35 S39 I40 D41 F210 P211 I214 | Y34-I37 WeakPolarHBondContact O-CG1 3.4Å; Y34-I37 PolarHBondContact O-N 3.46Å; G35-I37 VanDerWaalsContact C-N 3.33Å; G35-I37 PolarHBondContact O-N 3.32Å; I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 3.33Å; I37-S39 VanDerWaalsContact O-N 3.12Å; I37-I40 WeakPolarHBondContact O-CB 3.43Å; I37-I40 PolarHBondContact O-N 2.93Å; I37-D41 PolarHBondContact O-N 2.94Å; I37-F210 HydrophobicContact CB-CD1 4.49Å; I37-F210 HydrophobicContact CB-CE1 4.18Å; I37-F210 HydrophobicContact CD1-CD2 4.16Å; I37-F210 HydrophobicContact CD1-CE1 4.16Å; I37-F210 HydrophobicContact CD1-CE2 3.75Å; I37-F210 HydrophobicContact CD1-CZ 3.75Å; I37-F210 HydrophobicContact CG1-CE1 4.28Å; I37-F210 HydrophobicContact CG1-CZ 4.15Å; I37-P211 HydrophobicContact CG2-CG 4.1Å; I37-I214 HydrophobicContact CD1-CD1 4.13Å |
| 38 | S | 97.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.5 | -39.6 | -173.4 | -177.1 | 0 | 0 | 0 | 0 | 113.8 | G35 H36 I42 R74 | G35-S38 VanDerWaalsContact O-CB 3.24Å; G35-S38 WeakPolarHBondContact O-CB 3.1Å; G35-S38 PolarHBondContact O-N 3.33Å; H36-S38 VanDerWaalsContact C-N 3.31Å; H36-S38 PolarHBondContact O-N 3.1Å; S38-I42 WeakPolarHBondContact O-CB 3.47Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 2.72Å; S38-I42 VanDerWaalsContact O-N 3.07Å; S38-R74 PolarHBondContact OG-NH1 2.82Å |
| 39 | S | 97.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -71.2 | -35.1 | 178.8 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | I37 N43 R78 | I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 3.33Å; I37-S39 VanDerWaalsContact O-N 3.12Å; S39-N43 VanDerWaalsContact O-CB 3.31Å; S39-N43 WeakPolarHBondContact O-CB 3.37Å; S39-N43 PolarHBondContact O-N 3.38Å; S39-N43 VanDerWaalsContact O-N 3.07Å; S39-N43 PolarHBondContact O-ND2 3.18Å; S39-N43 VanDerWaalsContact O-ND2 3.13Å; S39-R78 PolarHBondContact OG-NH1 3.49Å; S39-R78 PolarHBondContact OG-NH2 3.33Å |
| 40 | I | 98 | Very high | 96.8 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 33% | 0.328 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -47.9 | 177.3 | -58.8 | 174.9 | 0 | 0 | 0 | 109.1 | I37 I42 N43 S44 N209 F210 | I37-I40 WeakPolarHBondContact O-CB 3.43Å; I37-I40 PolarHBondContact O-N 2.93Å; I40-I42 PolarHBondContact O-N 3.01Å; I40-N43 PolarHBondContact O-N 3.02Å; I40-S44 PolarHBondContact O-N 3.38Å; I40-S44 VanDerWaalsContact O-N 3.1Å; I40-S44 PolarHBondContact O-OG 2.77Å; I40-N209 HydrophobicContact CG2-CB 4.37Å; I40-F210 HydrophobicContact CB-CE1 4.16Å; I40-F210 HydrophobicContact CG2-CD1 3.99Å; I40-F210 HydrophobicContact CG2-CE1 3.89Å |
| 41 | D | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.8 | -57 | 174 | 169 | 59.7 | 0 | 0 | 0 | 112.1 | I37 N43 S44 S45 R74 Q135 W136 K166 F210 | I37-D41 PolarHBondContact O-N 2.94Å; D41-N43 VanDerWaalsContact C-N 3.3Å; D41-N43 PolarHBondContact O-N 3.03Å; D41-S44 PolarHBondContact O-N 3.38Å; D41-S45 WeakPolarHBondContact O-CB 3.47Å; D41-S45 PolarHBondContact O-N 2.78Å; D41-S45 PolarHBondContact O-OG 2.89Å; D41-R74 IonicContact OD2-CZ 3.97Å; D41-R74 IonicContact OD2-NH1 3.15Å; D41-R74 PolarHBondContact OD2-NH1 3.13Å; D41-R74 IonicContact OD2-NH2 3.89Å; D41-R74 PolarHBondContact OD2-NH2 3.07Å; D41-Q135 VanDerWaalsContact CG-NE2 3.33Å; D41-Q135 PolarHBondContact OD1-NE2 3.31Å; D41-Q135 PolarHBondContact OD2-NE2 3.05Å; D41-W136 HydrophobicContact CB-CH2 4.36Å; D41-K166 PolarHBondContact O-NZ 2.92Å; D41-K166 WeakPolarHBondContact OD1-CE 3.48Å; D41-K166 IonicContact OD1-NZ 2.67Å; D41-K166 PolarHBondContact OD1-NZ 3.12Å; D41-F210 HydrophobicContact CB-CE1 4.34Å; D41-F210 HydrophobicContact CB-CZ 3.97Å |
| 42 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | -176.8 | -71.4 | -69.2 | 0 | 0 | 0 | 111.7 | S38 I40 S45 R46 I75 R78 L79 | S38-I42 WeakPolarHBondContact O-CB 3.47Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 2.72Å; S38-I42 VanDerWaalsContact O-N 3.07Å; I40-I42 PolarHBondContact O-N 3.01Å; I42-S45 PolarHBondContact O-N 3.44Å; I42-R46 WeakPolarHBondContact O-CB 3.47Å; I42-R46 PolarHBondContact O-N 3.32Å; I42-I75 HydrophobicContact CD1-CD1 3.57Å; I42-R78 HydrophobicContact CD1-CB 3.88Å; I42-R78 HydrophobicContact CG1-CB 4.08Å; I42-R78 HydrophobicContact CG2-CB 3.94Å; I42-L79 HydrophobicContact CD1-CB 4.04Å |
| 43 | N | 98.4 | Very high | 97 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 40% | 0.401 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.4 | -42.4 | -177.8 | -73.9 | -19.8 | 0 | 0 | 0 | 111.8 | S39 I40 D41 R46 K47 | S39-N43 VanDerWaalsContact O-CB 3.31Å; S39-N43 WeakPolarHBondContact O-CB 3.37Å; S39-N43 PolarHBondContact O-N 3.38Å; S39-N43 VanDerWaalsContact O-N 3.07Å; S39-N43 PolarHBondContact O-ND2 3.18Å; S39-N43 VanDerWaalsContact O-ND2 3.13Å; I40-N43 PolarHBondContact O-N 3.02Å; D41-N43 VanDerWaalsContact C-N 3.3Å; D41-N43 PolarHBondContact O-N 3.03Å; N43-R46 PolarHBondContact O-N 2.89Å; N43-R46 PolarHBondContact OD1-NH1 3.45Å; N43-K47 WeakPolarHBondContact O-CG 3.44Å; N43-K47 PolarHBondContact O-N 2.91Å; N43-K47 VanDerWaalsContact O-N 3.12Å |
| 44 | S | 98.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 173.7 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | I40 D41 R46 K47 F48 Q207 | I40-S44 PolarHBondContact O-N 3.38Å; I40-S44 VanDerWaalsContact O-N 3.1Å; I40-S44 PolarHBondContact O-OG 2.77Å; D41-S44 PolarHBondContact O-N 3.38Å; S44-R46 VanDerWaalsContact C-N 3.3Å; S44-R46 PolarHBondContact O-N 2.92Å; S44-K47 PolarHBondContact O-N 3Å; S44-K47 VanDerWaalsContact O-N 3.16Å; S44-F48 WeakPolarHBondContact O-CB 3.38Å; S44-F48 PolarHBondContact O-N 3.18Å; S44-Q207 PolarHBondContact OG-NE2 3.27Å |
| 45 | S | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 177.1 | -61 | 0 | 0 | 0 | 0 | 112.4 | D41 I42 F48 L49 K166 | D41-S45 WeakPolarHBondContact O-CB 3.47Å; D41-S45 PolarHBondContact O-N 2.78Å; D41-S45 PolarHBondContact O-OG 2.89Å; I42-S45 PolarHBondContact O-N 3.44Å; S45-F48 PolarHBondContact O-N 2.97Å; S45-L49 PolarHBondContact O-N 3.48Å; S45-K166 WeakPolarHBondContact OG-CD 3.45Å; S45-K166 PolarHBondContact OG-NZ 2.87Å |
| 46 | R | 98.6 | Very high | 95.1 | Very high | 61 Ų | 61 | 54 Ų | 54 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.4 | -172 | 179.8 | -59.1 | 101.3 | 1.1 | 112 | I42 N43 S44 F48 L49 Q50 R78 L79 | I42-R46 WeakPolarHBondContact O-CB 3.47Å; I42-R46 PolarHBondContact O-N 3.32Å; N43-R46 PolarHBondContact O-N 2.89Å; N43-R46 PolarHBondContact OD1-NH1 3.45Å; S44-R46 VanDerWaalsContact C-N 3.3Å; S44-R46 PolarHBondContact O-N 2.92Å; R46-F48 VanDerWaalsContact C-N 3.3Å; R46-F48 PolarHBondContact O-N 3.43Å; R46-L49 PolarHBondContact O-N 3.04Å; R46-Q50 WeakPolarHBondContact O-CB 3.45Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.14Å; R46-Q50 PolarHBondContact O-N 3.15Å; R46-R78 PolarHBondContact NH2-O 3.19Å; R46-L79 HydrophobicContact CB-CD1 3.82Å; R46-L79 HydrophobicContact CG-CD1 4.47Å |
| 47 | K | 98.1 | Very high | 94.6 | Very high | 143 Ų | 143 | 53.7 Ų | 53.7 | 62% | 0.622 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.8 | -42.4 | 176.6 | -73.4 | 176.1 | -179.9 | 179.7 | 0 | 111 | N43 S44 Q50 | N43-K47 WeakPolarHBondContact O-CG 3.44Å; N43-K47 PolarHBondContact O-N 2.91Å; N43-K47 VanDerWaalsContact O-N 3.12Å; S44-K47 PolarHBondContact O-N 3Å; S44-K47 VanDerWaalsContact O-N 3.16Å; K47-Q50 PolarHBondContact O-N 3.38Å |
| 48 | F | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -52 | 177.5 | -175.5 | -91.3 | 0 | 0 | 0 | 111.9 | S44 S45 R46 Q50 K51 F52 V164 A203 E205 T219 A221 | S44-F48 WeakPolarHBondContact O-CB 3.38Å; S44-F48 PolarHBondContact O-N 3.18Å; S45-F48 PolarHBondContact O-N 2.97Å; R46-F48 VanDerWaalsContact C-N 3.3Å; R46-F48 PolarHBondContact O-N 3.43Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 2.92Å; F48-K51 WeakPolarHBondContact O-CB 3.47Å; F48-K51 WeakPolarHBondContact O-CG 3.45Å; F48-K51 PolarHBondContact O-N 2.98Å; F48-F52 HydrophobicContact CD1-CE2 4.19Å; F48-F52 AromaticContact CE1-CE2 3.77Å; F48-F52 HydrophobicContact CE1-CE2 3.77Å; F48-F52 HydrophobicContact CZ-CE2 4.04Å; F48-F52 HydrophobicContact CZ-CZ 4.46Å; F48-V164 HydrophobicContact CE1-CG1 4.09Å; F48-V164 HydrophobicContact CE1-CG2 4.42Å; F48-A203 HydrophobicContact CE2-CB 4.04Å; F48-A203 HydrophobicContact CZ-CB 4.01Å; F48-E205 HydrophobicContact CD2-CB 3.92Å; F48-E205 HydrophobicContact CE2-CB 3.92Å; F48-T219 HydrophobicContact CD1-CG2 3.58Å; F48-T219 HydrophobicContact CD2-CG2 4.1Å; F48-T219 HydrophobicContact CE1-CG2 3.49Å; F48-T219 VanDerWaalsContact CE1-CG2 3.49Å; F48-T219 HydrophobicContact CE2-CG2 4.03Å; F48-T219 HydrophobicContact CG-CG2 3.89Å; F48-T219 HydrophobicContact CZ-CG2 3.74Å; F48-A221 HydrophobicContact CE1-CB 3.77Å; F48-A221 HydrophobicContact CZ-CB 3.72Å |
| 49 | L | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -36 | 178.9 | -80.8 | 179.1 | 0 | 0 | 0 | 113.1 | S45 R46 K51 F52 L53 L79 L80 L83 V131 W133 I162 V164 | S45-L49 PolarHBondContact O-N 3.48Å; R46-L49 PolarHBondContact O-N 3.04Å; L49-K51 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact O-N 3.09Å; L49-F52 PolarHBondContact O-N 3.45Å; L49-L53 HydrophobicContact CB-CD1 4.3Å; L49-L53 WeakPolarHBondContact O-CG 3.33Å; L49-L53 PolarHBondContact O-N 3.43Å; L49-L79 HydrophobicContact CD1-CD1 4.1Å; L49-L79 HydrophobicContact CD1-CD2 3.99Å; L49-L79 HydrophobicContact CD1-CG 4.05Å; L49-L80 HydrophobicContact CD1-CD2 4.49Å; L49-L83 HydrophobicContact CB-CD1 4.47Å; L49-L83 HydrophobicContact CD1-CD1 3.99Å; L49-V131 HydrophobicContact CD2-CG1 4.3Å; L49-V131 HydrophobicContact CD2-CG2 4.39Å; L49-W133 HydrophobicContact CD1-CE3 3.96Å; L49-W133 HydrophobicContact CD1-CZ3 3.72Å; L49-W133 HydrophobicContact CD2-CE3 4.13Å; L49-W133 HydrophobicContact CD2-CZ3 3.76Å; L49-W133 HydrophobicContact CG-CE3 4.21Å; L49-W133 HydrophobicContact CG-CH2 4.46Å; L49-W133 HydrophobicContact CG-CZ3 3.59Å; L49-I162 HydrophobicContact CD2-CD1 4.32Å; L49-V164 HydrophobicContact CD2-CG2 4.05Å |
| 50 | Q | 96.4 | Very high | 94.3 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -24.8 | -179.8 | -80 | 176.2 | -1.6 | 0 | 0 | 113.7 | R46 K47 F48 F52 L53 R54 | R46-Q50 WeakPolarHBondContact O-CB 3.45Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.14Å; R46-Q50 PolarHBondContact O-N 3.15Å; K47-Q50 PolarHBondContact O-N 3.38Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 2.92Å; Q50-F52 PolarHBondContact O-N 3.19Å; Q50-L53 PolarHBondContact O-N 2.87Å; Q50-R54 VanDerWaalsContact CD-NH2 3.25Å; Q50-R54 WeakPolarHBondContact O-CG 3.36Å; Q50-R54 PolarHBondContact O-N 3.48Å |
| 51 | K | 95.6 | Very high | 94.3 | Very high | 123 Ų | 123 | 59.7 Ų | 59.7 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -27.4 | 174 | -58 | 177.6 | -172.4 | 178.1 | 0 | 112.7 | F48 L49 E205 | F48-K51 WeakPolarHBondContact O-CB 3.47Å; F48-K51 WeakPolarHBondContact O-CG 3.45Å; F48-K51 PolarHBondContact O-N 2.98Å; L49-K51 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact O-N 3.09Å; K51-E205 IonicContact NZ-OE2 2.77Å; K51-E205 PolarHBondContact NZ-OE2 3.37Å |
| 52 | F | 97.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -101.6 | -24.8 | -176.9 | -57.5 | -82.7 | 0 | 0 | 0 | 113.2 | F48 L49 Q50 T60 I162 L202 A203 A221 | F48-F52 HydrophobicContact CD1-CE2 4.19Å; F48-F52 AromaticContact CE1-CE2 3.77Å; F48-F52 HydrophobicContact CE1-CE2 3.77Å; F48-F52 HydrophobicContact CZ-CE2 4.04Å; F48-F52 HydrophobicContact CZ-CZ 4.46Å; L49-F52 PolarHBondContact O-N 3.45Å; Q50-F52 PolarHBondContact O-N 3.19Å; F52-T60 PolarHBondContact O-N 3.47Å; F52-I162 HydrophobicContact CB-CD1 3.9Å; F52-I162 HydrophobicContact CD1-CD1 4.13Å; F52-I162 HydrophobicContact CD2-CD1 3.87Å; F52-I162 HydrophobicContact CE2-CD1 4.47Å; F52-I162 HydrophobicContact CG-CD1 3.69Å; F52-L202 HydrophobicContact CE1-CB 4.06Å; F52-L202 HydrophobicContact CE1-CD1 4.2Å; F52-L202 HydrophobicContact CZ-CB 4.47Å; F52-A203 HydrophobicContact CZ-CB 3.79Å; F52-A221 HydrophobicContact CE1-CB 3.97Å; F52-A221 HydrophobicContact CE2-CB 3.7Å; F52-A221 HydrophobicContact CZ-CB 3.32Å |
| 53 | L | 95.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -91.4 | -19.1 | -172.9 | -62 | -179 | 0 | 0 | 0 | 115 | L49 Q50 R59 T60 T62 L83 F84 | L49-L53 HydrophobicContact CB-CD1 4.3Å; L49-L53 WeakPolarHBondContact O-CG 3.33Å; L49-L53 PolarHBondContact O-N 3.43Å; Q50-L53 PolarHBondContact O-N 2.87Å; L53-R59 VanDerWaalsContact O-CD 3.29Å; L53-R59 WeakPolarHBondContact O-CD 3.43Å; L53-T60 HydrophobicContact CD2-CG2 4.05Å; L53-T62 HydrophobicContact CD1-CG2 4.39Å; L53-T62 HydrophobicContact CD2-CG2 3.89Å; L53-T62 HydrophobicContact CG-CG2 4.49Å; L53-L83 HydrophobicContact CD1-CB 4.35Å; L53-L83 HydrophobicContact CD1-CD1 4.15Å; L53-L83 HydrophobicContact CD1-CD2 4.39Å; L53-F84 HydrophobicContact CD1-CZ 4.32Å; L53-F84 HydrophobicContact CD2-CE1 4.4Å; L53-F84 HydrophobicContact CD2-CZ 4.19Å |
| 54 | R | 85.7 | Confident | 94.3 | Very high | 146 Ų | 146 | 61.4 Ų | 61.4 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -86.4 | -69.4 | -169.5 | -70.9 | -176.5 | 177.7 | -156.8 | 3.1 | 113.4 | Q50 R59 | Q50-R54 VanDerWaalsContact CD-NH2 3.25Å; Q50-R54 WeakPolarHBondContact O-CG 3.36Å; Q50-R54 PolarHBondContact O-N 3.48Å; R54-R59 WeakPolarHBondContact O-CD 3.31Å |
| 55 | D | 74.3 | Confident | 94.3 | Very high | 143 Ų | 143 | 60.3 Ų | 60.3 | 77% | 0.765 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -141.3 | 149.5 | -168.9 | -62 | -55.5 | 0 | 0 | 0 | 112.7 | ||
| 56 | G | 82.1 | Confident | 94.3 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 131.6 | 159.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N58 R59 | G56-N58 PolarHBondContact O-N 3.28Å; G56-R59 WeakPolarHBondContact O-CB 3.4Å; G56-R59 PolarHBondContact O-N 3.32Å |
| 57 | P | 84.4 | Confident | 94.3 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.6 | -178.5 | 25.4 | -34.2 | 0 | 0 | 0 | 113.1 | ||
| 58 | N | 90.4 | Very high | 94.4 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 35 | -178.4 | -59.2 | -32.9 | 0 | 0 | 0 | 112 | G56 T60 | G56-N58 PolarHBondContact O-N 3.28Å; N58-T60 PolarHBondContact O-N 2.9Å |
| 59 | R | 95.9 | Very high | 94.4 | Very high | 142 Ų | 142 | 51.8 Ų | 51.8 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 132.3 | -180 | -171.8 | -175.5 | 74.1 | 177.7 | -0.6 | 110.9 | L53 R54 G56 N160 | L53-R59 VanDerWaalsContact O-CD 3.29Å; L53-R59 WeakPolarHBondContact O-CD 3.43Å; R54-R59 WeakPolarHBondContact O-CD 3.31Å; G56-R59 WeakPolarHBondContact O-CB 3.4Å; G56-R59 PolarHBondContact O-N 3.32Å; R59-N160 WeakPolarHBondContact O-CB 3.42Å |
| 60 | T | 98.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 139.9 | 173.9 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | F52 L53 N58 D130 V131 N160 I162 | F52-T60 PolarHBondContact O-N 3.47Å; L53-T60 HydrophobicContact CD2-CG2 4.05Å; N58-T60 PolarHBondContact O-N 2.9Å; T60-D130 HydrophobicContact CG2-CB 4.12Å; T60-D130 WeakPolarHBondContact CG2-O 3.39Å; T60-V131 HydrophobicContact CG2-CG2 3.77Å; T60-N160 WeakPolarHBondContact CA-O 3.42Å; T60-N160 WeakPolarHBondContact CB-O 3.47Å; T60-N160 PolarHBondContact OG1-O 3.46Å; T60-I162 HydrophobicContact CG2-CG1 4.29Å |
| 61 | G | 98 | Very high | 94.5 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 22% | 0.216 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 169.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F84 D130 | G61-F84 WeakPolarHBondContact O-CE1 3.46Å; G61-D130 VanDerWaalsContact C-CB 3.49Å; G61-D130 VanDerWaalsContact C-CG 3.44Å; G61-D130 WeakPolarHBondContact CA-OD1 3.24Å; G61-D130 WeakPolarHBondContact O-CB 3.48Å |
| 62 | T | 98.3 | Very high | 94.7 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -128.2 | 27.3 | -179.7 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | L53 L83 F84 K85 | L53-T62 HydrophobicContact CD1-CG2 4.39Å; L53-T62 HydrophobicContact CD2-CG2 3.89Å; L53-T62 HydrophobicContact CG-CG2 4.49Å; T62-L83 WeakPolarHBondContact CB-O 3.18Å; T62-F84 WeakPolarHBondContact O-CA 3.49Å; T62-K85 PolarHBondContact O-N 3Å |
| 63 | T | 98.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 42.3 Ų | 42.3 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -84.6 | -57.7 | -177.7 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | K85 T86 D130 | T63-K85 WeakPolarHBondContact O-CB 3.37Å; T63-K85 PolarHBondContact O-N 2.78Å; T63-T86 PolarHBondContact O-N 3.05Å; T63-T86 PolarHBondContact O-OG1 2.88Å; T63-D130 WeakPolarHBondContact CA-OD2 3.31Å; T63-D130 WeakPolarHBondContact CB-OD2 3.35Å; T63-D130 PolarHBondContact N-OD2 3.15Å |
| 64 | C | 98.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 132.9 | -174.4 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | T86 Y129 D130 | C64-T86 WeakPolarHBondContact CA-O 3.37Å; C64-T86 PolarHBondContact SG-OG1 3.22Å; C64-Y129 HydrophobicContact CB-CD1 4.5Å; C64-D130 PolarHBondContact N-OD2 3.22Å; C64-D130 PolarHBondContact O-N 2.83Å |
| 65 | A | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 155.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L80 F84 T86 V87 D88 V131 | A65-L80 HydrophobicContact CB-CB 4.44Å; A65-L80 HydrophobicContact CB-CD1 4.33Å; A65-L80 HydrophobicContact CB-CD2 4.22Å; A65-F84 HydrophobicContact CB-CB 4.21Å; A65-F84 HydrophobicContact CB-CD1 3.92Å; A65-F84 HydrophobicContact CB-CD2 3.64Å; A65-F84 HydrophobicContact CB-CE1 4.26Å; A65-F84 HydrophobicContact CB-CE2 4.01Å; A65-F84 HydrophobicContact CB-CG 3.63Å; A65-F84 HydrophobicContact CB-CZ 4.33Å; A65-T86 PolarHBondContact N-O 2.81Å; A65-T86 VanDerWaalsContact N-O 3.11Å; A65-V87 CarbonylContact O-C 3.58Å; A65-V87 VanDerWaalsContact O-CA 3.29Å; A65-V87 WeakPolarHBondContact O-CA 3.32Å; A65-D88 PolarHBondContact O-N 2.84Å; A65-V131 CarbonylContact C-O 3.49Å; A65-V131 WeakPolarHBondContact CA-O 3.24Å; A65-V131 HydrophobicContact CB-CB 4.38Å |
| 66 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.8 | 169.2 | 177.4 | 64.7 | 0 | 0 | 0 | 109 | D88 V90 F122 P124 Y129 V131 I132 W133 | L66-D88 CarbonylContact C-O 3.48Å; L66-D88 WeakPolarHBondContact CA-O 3.45Å; L66-D88 HydrophobicContact CD1-CB 3.89Å; L66-V90 HydrophobicContact CD1-CG1 4.04Å; L66-V90 HydrophobicContact CG-CG1 4.48Å; L66-F122 HydrophobicContact CD1-CE1 4.37Å; L66-F122 HydrophobicContact CD2-CE1 3.8Å; L66-P124 HydrophobicContact CD2-CB 4.18Å; L66-P124 HydrophobicContact CD2-CG 4.06Å; L66-Y129 HydrophobicContact CB-CD1 3.67Å; L66-Y129 HydrophobicContact CB-CD2 4.35Å; L66-Y129 HydrophobicContact CB-CE1 3.77Å; L66-Y129 HydrophobicContact CB-CE2 4.45Å; L66-Y129 HydrophobicContact CB-CG 3.96Å; L66-Y129 HydrophobicContact CD1-CE1 4.39Å; L66-Y129 HydrophobicContact CD2-CD2 4.48Å; L66-Y129 HydrophobicContact CD2-CE2 4.21Å; L66-V131 PolarHBondContact N-O 2.88Å; L66-I132 HydrophobicContact CB-CG1 4.18Å; L66-I132 HydrophobicContact CB-CG2 4.37Å; L66-I132 HydrophobicContact CD2-CG1 4.35Å; L66-I132 HydrophobicContact CD2-CG2 3.99Å; L66-I132 HydrophobicContact CG-CG2 4.44Å; L66-W133 PolarHBondContact O-N 3.15Å |
| 67 | D | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.6 | 171.2 | -158.8 | -0.8 | 0 | 0 | 0 | 108.5 | A70 I75 T76 L80 V87 D88 M89 V90 | D67-A70 HydrophobicContact CB-CB 3.78Å; D67-I75 WeakPolarHBondContact OD2-CB 3.34Å; D67-T76 VanDerWaalsContact CB-OG1 3.32Å; D67-T76 WeakPolarHBondContact CB-OG1 3.41Å; D67-T76 WeakPolarHBondContact OD2-CB 3.45Å; D67-T76 PolarHBondContact OD2-N 3.36Å; D67-T76 PolarHBondContact OD2-OG1 3.38Å; D67-L80 HydrophobicContact CB-CD1 3.69Å; D67-V87 HydrophobicContact CB-CG1 4.45Å; D67-D88 PolarHBondContact N-O 3.01Å; D67-M89 HydrophobicContact CB-CG 4.33Å; D67-V90 PolarHBondContact O-N 2.83Å |
| 68 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.3 | -176.8 | -61 | 0 | 0 | 0 | 0 | 111.1 | A70 V90 L119 W133 I134 F149 | C68-A70 VanDerWaalsContact C-N 3.3Å; C68-V90 HydrophobicContact CB-CG1 4.09Å; C68-L119 HydrophobicContact CB-CD1 4.1Å; C68-L119 HydrophobicContact CB-CD2 4.06Å; C68-W133 WeakPolarHBondContact CB-O 3.42Å; C68-W133 PolarHBondContact N-O 3.21Å; C68-I134 HydrophobicContact CB-CB 4.37Å; C68-I134 HydrophobicContact CB-CG1 3.96Å; C68-I134 HydrophobicContact CB-CG2 4.36Å; C68-F149 HydrophobicContact CB-CZ 4.44Å |
| 69 | G | 98.7 | Very high | 98.6 | Very high | 23 Ų | 23 | 23.8 Ų | 23.8 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 40.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G71 V90 D91 | G69-G71 PolarHBondContact O-N 2.85Å; G69-V90 PolarHBondContact N-O 3.09Å; G69-D91 WeakPolarHBondContact CA-OD2 3.34Å |
| 70 | A | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 17 Ų | 17 | 7% | 0.074 | 10% | 0.096 | C | C | . | . | trans | -68.5 | -20.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D67 C68 I72 G73 M89 V90 D91 | D67-A70 HydrophobicContact CB-CB 3.78Å; C68-A70 VanDerWaalsContact C-N 3.3Å; A70-I72 PolarHBondContact O-N 2.8Å; A70-G73 WeakPolarHBondContact O-CA 3.46Å; A70-G73 PolarHBondContact O-N 2.87Å; A70-M89 HydrophobicContact CB-CB 3.92Å; A70-M89 HydrophobicContact CB-CE 3.55Å; A70-M89 HydrophobicContact CB-CG 4.07Å; A70-V90 PolarHBondContact N-O 3Å; A70-V90 VanDerWaalsContact N-O 3.15Å; A70-D91 PolarHBondContact N-OD2 2.89Å; A70-D91 VanDerWaalsContact N-OD2 3.16Å | ||
| 71 | G | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | -129.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G69 G73 D91 | G69-G71 PolarHBondContact O-N 2.85Å; G71-G73 PolarHBondContact O-N 3.3Å; G71-G73 VanDerWaalsContact O-N 3.16Å; G71-D91 WeakPolarHBondContact CA-OD2 3.35Å; G71-D91 PolarHBondContact N-OD2 2.7Å |
| 72 | I | 98.7 | Very high | 98.8 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 1.2 | 178.1 | 70.5 | 171.3 | 0 | 0 | 0 | 113.8 | A25 V27 M30 A70 F96 K99 A100 Y103 | A25-I72 HydrophobicContact CB-CG2 3.91Å; V27-I72 HydrophobicContact CG2-CD1 4.29Å; M30-I72 HydrophobicContact CG-CD1 4.27Å; M30-I72 HydrophobicContact CG-CG1 3.87Å; M30-I72 HydrophobicContact SD-CG1 4.28Å; M30-I72 HydrophobicContact SD-CG2 4.15Å; A70-I72 PolarHBondContact O-N 2.8Å; I72-F96 HydrophobicContact CG2-CB 4.19Å; I72-F96 HydrophobicContact CG2-CD1 4.16Å; I72-F96 HydrophobicContact CG2-CG 4.36Å; I72-K99 HydrophobicContact CB-CG 4.3Å; I72-K99 HydrophobicContact CG2-CB 4.04Å; I72-K99 HydrophobicContact CG2-CG 3.85Å; I72-A100 VanDerWaalsContact O-CA 3.3Å; I72-A100 WeakPolarHBondContact O-CA 3.41Å; I72-A100 VanDerWaalsContact O-CB 3.25Å; I72-A100 WeakPolarHBondContact O-CB 3.46Å; I72-Y103 HydrophobicContact CD1-CD1 4.36Å; I72-Y103 HydrophobicContact CD1-CD2 4.08Å; I72-Y103 HydrophobicContact CD1-CE1 4.41Å; I72-Y103 HydrophobicContact CD1-CE2 4.14Å; I72-Y103 HydrophobicContact CD1-CG 4.18Å; I72-Y103 HydrophobicContact CG1-CD1 4.26Å; I72-Y103 HydrophobicContact CG1-CE1 4.39Å; I72-Y103 HydrophobicContact CG1-CG 4.46Å; I72-Y103 WeakPolarHBondContact O-CD1 3.46Å |
| 73 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 34.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | A70 G71 I75 T76 K77 | A70-G73 WeakPolarHBondContact O-CA 3.46Å; A70-G73 PolarHBondContact O-N 2.87Å; G71-G73 PolarHBondContact O-N 3.3Å; G71-G73 VanDerWaalsContact O-N 3.16Å; G73-I75 VanDerWaalsContact C-N 3.34Å; G73-I75 PolarHBondContact O-N 2.72Å; G73-T76 PolarHBondContact O-N 3.38Å; G73-K77 VanDerWaalsContact O-CB 3.29Å; G73-K77 WeakPolarHBondContact O-CB 3.49Å; G73-K77 PolarHBondContact O-N 2.95Å |
| 74 | R | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 4% | 0.038 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 176.4 | -174.9 | -166.9 | 69.3 | 80.2 | 1.7 | 111.5 | V27 S38 D41 R78 W136 | V27-R74 HydrophobicContact CG1-CG 4.48Å; S38-R74 PolarHBondContact OG-NH1 2.82Å; D41-R74 IonicContact OD2-CZ 3.97Å; D41-R74 IonicContact OD2-NH1 3.15Å; D41-R74 PolarHBondContact OD2-NH1 3.13Å; D41-R74 IonicContact OD2-NH2 3.89Å; D41-R74 PolarHBondContact OD2-NH2 3.07Å; R74-R78 PolarHBondContact O-N 3.22Å; R74-W136 VanDerWaalsContact NH2-CZ3 3.28Å |
| 75 | I | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 5% | 0.046 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.3 | -51.5 | 176.5 | -69.6 | -57 | 0 | 0 | 0 | 110.4 | I42 D67 G73 K77 R78 L79 L80 W133 Q135 | I42-I75 HydrophobicContact CD1-CD1 3.57Å; D67-I75 WeakPolarHBondContact OD2-CB 3.34Å; G73-I75 VanDerWaalsContact C-N 3.34Å; G73-I75 PolarHBondContact O-N 2.72Å; I75-K77 VanDerWaalsContact C-N 3.27Å; I75-K77 PolarHBondContact O-N 2.73Å; I75-R78 PolarHBondContact O-N 2.98Å; I75-L79 HydrophobicContact CG2-CB 4.17Å; I75-L79 HydrophobicContact CG2-CD2 4.03Å; I75-L79 WeakPolarHBondContact O-CA 3.28Å; I75-L79 WeakPolarHBondContact O-CB 3.3Å; I75-L79 PolarHBondContact O-N 3.39Å; I75-L80 HydrophobicContact CG2-CD1 3.9Å; I75-L80 HydrophobicContact CG2-CG 3.87Å; I75-L80 PolarHBondContact O-N 3.11Å; I75-W133 HydrophobicContact CG2-CG 4.19Å; I75-Q135 VanDerWaalsContact CD1-OE1 3.23Å |
| 76 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -45.4 | -50.7 | 173.6 | -71.4 | 0 | 0 | 0 | 0 | 112.3 | D67 G73 L80 L81 V87 M89 L104 V111 | D67-T76 VanDerWaalsContact CB-OG1 3.32Å; D67-T76 WeakPolarHBondContact CB-OG1 3.41Å; D67-T76 WeakPolarHBondContact OD2-CB 3.45Å; D67-T76 PolarHBondContact OD2-N 3.36Å; D67-T76 PolarHBondContact OD2-OG1 3.38Å; G73-T76 PolarHBondContact O-N 3.38Å; T76-L80 PolarHBondContact O-N 3.12Å; T76-L81 HydrophobicContact CG2-CD1 3.74Å; T76-L81 HydrophobicContact CG2-CG 3.8Å; T76-L81 VanDerWaalsContact O-CB 3.32Å; T76-L81 WeakPolarHBondContact O-CB 3.42Å; T76-L81 WeakPolarHBondContact O-CG 3.37Å; T76-L81 PolarHBondContact O-N 3.32Å; T76-V87 HydrophobicContact CG2-CB 4.3Å; T76-V87 HydrophobicContact CG2-CG1 3.93Å; T76-M89 HydrophobicContact CG2-CG 4.38Å; T76-M89 HydrophobicContact CG2-SD 4Å; T76-L104 HydrophobicContact CG2-CD1 4.15Å; T76-L104 HydrophobicContact CG2-CD2 3.76Å; T76-V111 HydrophobicContact CG2-CG2 3.89Å |
| 77 | K | 98.8 | Very high | 98.8 | Very high | 77 Ų | 77 | 25.7 Ų | 25.7 | 34% | 0.335 | 13% | 0.132 | S | C | . | . | I | π-helix | trans | -63.5 | -48.6 | -176 | -163.8 | 176.1 | 175.2 | 84.1 | 0 | 113.6 | G73 I75 Y103 L104 | G73-K77 VanDerWaalsContact O-CB 3.29Å; G73-K77 WeakPolarHBondContact O-CB 3.49Å; G73-K77 PolarHBondContact O-N 2.95Å; I75-K77 VanDerWaalsContact C-N 3.27Å; I75-K77 PolarHBondContact O-N 2.73Å; K77-Y103 HydrophobicContact CB-CE1 3.88Å; K77-Y103 HydrophobicContact CD-CD1 3.96Å; K77-Y103 HydrophobicContact CD-CE1 3.44Å; K77-Y103 VanDerWaalsContact CD-CE1 3.44Å; K77-Y103 HydrophobicContact CD-CE2 4.32Å; K77-Y103 WeakPolarHBondContact CE-O 3.36Å; K77-Y103 HydrophobicContact CG-CE1 4.28Å; K77-Y103 PolarHBondContact NZ-O 3.01Å; K77-L104 HydrophobicContact CB-CD2 3.69Å; K77-L104 HydrophobicContact CG-CD2 4.22Å; K77-L104 VanDerWaalsContact NZ-C 3.34Å; K77-L104 PolarHBondContact NZ-O 3.26Å |
| 78 | R | 98.7 | Very high | 98.8 | Very high | 90 Ų | 90 | 25.5 Ų | 25.5 | 34% | 0.34 | 13% | 0.131 | S | C | . | . | I | π-helix | trans | -103.4 | -18.7 | -166.3 | -61 | -170.9 | 72.1 | -164.2 | 3.1 | 113.7 | S39 I42 R46 R74 I75 | S39-R78 PolarHBondContact OG-NH1 3.49Å; S39-R78 PolarHBondContact OG-NH2 3.33Å; I42-R78 HydrophobicContact CD1-CB 3.88Å; I42-R78 HydrophobicContact CG1-CB 4.08Å; I42-R78 HydrophobicContact CG2-CB 3.94Å; R46-R78 PolarHBondContact NH2-O 3.19Å; R74-R78 PolarHBondContact O-N 3.22Å; I75-R78 PolarHBondContact O-N 2.98Å |
| 79 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -111.9 | -57.9 | -179.9 | -176.2 | 64.7 | 0 | 0 | 0 | 112 | I42 R46 L49 I75 L83 W133 | I42-L79 HydrophobicContact CD1-CB 4.04Å; R46-L79 HydrophobicContact CB-CD1 3.82Å; R46-L79 HydrophobicContact CG-CD1 4.47Å; L49-L79 HydrophobicContact CD1-CD1 4.1Å; L49-L79 HydrophobicContact CD1-CD2 3.99Å; L49-L79 HydrophobicContact CD1-CG 4.05Å; I75-L79 HydrophobicContact CG2-CB 4.17Å; I75-L79 HydrophobicContact CG2-CD2 4.03Å; I75-L79 WeakPolarHBondContact O-CA 3.28Å; I75-L79 WeakPolarHBondContact O-CB 3.3Å; I75-L79 PolarHBondContact O-N 3.39Å; L79-L83 HydrophobicContact CD1-CD1 3.97Å; L79-L83 HydrophobicContact CG-CD1 4.48Å; L79-L83 WeakPolarHBondContact O-CD1 3.49Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-W133 HydrophobicContact CD2-CD2 4.11Å; L79-W133 HydrophobicContact CD2-CE3 4.23Å; L79-W133 HydrophobicContact CD2-CH2 3.98Å; L79-W133 HydrophobicContact CD2-CZ2 3.81Å; L79-W133 HydrophobicContact CD2-CZ3 4.16Å |
| 80 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -82.2 | -49.6 | -166 | -54.7 | 175.8 | 0 | 0 | 0 | 113 | L49 A65 D67 I75 T76 P82 L83 F84 V87 W133 | L49-L80 HydrophobicContact CD1-CD2 4.49Å; A65-L80 HydrophobicContact CB-CB 4.44Å; A65-L80 HydrophobicContact CB-CD1 4.33Å; A65-L80 HydrophobicContact CB-CD2 4.22Å; D67-L80 HydrophobicContact CB-CD1 3.69Å; I75-L80 HydrophobicContact CG2-CD1 3.9Å; I75-L80 HydrophobicContact CG2-CG 3.87Å; I75-L80 PolarHBondContact O-N 3.11Å; T76-L80 PolarHBondContact O-N 3.12Å; L80-P82 VanDerWaalsContact C-N 3.3Å; L80-L83 PolarHBondContact O-N 2.82Å; L80-F84 HydrophobicContact CB-CD2 4.22Å; L80-F84 HydrophobicContact CD2-CD2 4.19Å; L80-F84 HydrophobicContact CD2-CE2 3.94Å; L80-F84 WeakPolarHBondContact O-CD2 3.44Å; L80-F84 PolarHBondContact O-N 3.48Å; L80-V87 HydrophobicContact CB-CG1 4.42Å; L80-V87 HydrophobicContact CB-CG2 3.76Å; L80-V87 HydrophobicContact CD1-CG1 4.18Å; L80-W133 HydrophobicContact CD1-CB 4.3Å; L80-W133 HydrophobicContact CD2-CB 4.34Å |
| 81 | L | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.4 | 178.4 | -76 | 171.5 | 0 | 0 | 0 | 113.2 | T76 L83 V87 L104 E107 R110 V111 | T76-L81 HydrophobicContact CG2-CD1 3.74Å; T76-L81 HydrophobicContact CG2-CG 3.8Å; T76-L81 VanDerWaalsContact O-CB 3.32Å; T76-L81 WeakPolarHBondContact O-CB 3.42Å; T76-L81 WeakPolarHBondContact O-CG 3.37Å; T76-L81 PolarHBondContact O-N 3.32Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.29Å; L81-V87 HydrophobicContact CD2-CB 4.29Å; L81-V87 HydrophobicContact CD2-CG2 3.84Å; L81-V87 HydrophobicContact CG-CG2 4.1Å; L81-L104 HydrophobicContact CD1-CD2 4.17Å; L81-E107 HydrophobicContact CD1-CB 4.11Å; L81-R110 HydrophobicContact CD2-CB 3.87Å; L81-R110 PolarHBondContact O-NH1 3.38Å; L81-R110 PolarHBondContact O-NH2 3.07Å; L81-V111 HydrophobicContact CD1-CG2 4.41Å; L81-V111 HydrophobicContact CD2-CG2 4.33Å |
| 82 | P | 98.6 | Very high | 98.8 | Very high | 80 Ų | 80 | 27.3 Ų | 27.3 | 52% | 0.519 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.2 | 172.7 | -26 | 36.4 | 0 | 0 | 0 | 115.6 | L80 | L80-P82 VanDerWaalsContact C-N 3.3Š|
| 83 | L | 98.5 | Very high | 98.7 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -26.2 | -172.7 | -65.6 | 176.8 | 0 | 0 | 0 | 113.6 | L49 L53 T62 L79 L80 L81 | L49-L83 HydrophobicContact CB-CD1 4.47Å; L49-L83 HydrophobicContact CD1-CD1 3.99Å; L53-L83 HydrophobicContact CD1-CB 4.35Å; L53-L83 HydrophobicContact CD1-CD1 4.15Å; L53-L83 HydrophobicContact CD1-CD2 4.39Å; T62-L83 WeakPolarHBondContact CB-O 3.18Å; L79-L83 HydrophobicContact CD1-CD1 3.97Å; L79-L83 HydrophobicContact CG-CD1 4.48Å; L79-L83 WeakPolarHBondContact O-CD1 3.49Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L80-L83 PolarHBondContact O-N 2.82Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.29Å |
| 84 | F | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | trans | -120.1 | 148 | -174.7 | -61.3 | -89.4 | 0 | 0 | 0 | 111.4 | L53 G61 T62 A65 L80 R110 D130 V131 | L53-F84 HydrophobicContact CD1-CZ 4.32Å; L53-F84 HydrophobicContact CD2-CE1 4.4Å; L53-F84 HydrophobicContact CD2-CZ 4.19Å; G61-F84 WeakPolarHBondContact O-CE1 3.46Å; T62-F84 WeakPolarHBondContact O-CA 3.49Å; A65-F84 HydrophobicContact CB-CB 4.21Å; A65-F84 HydrophobicContact CB-CD1 3.92Å; A65-F84 HydrophobicContact CB-CD2 3.64Å; A65-F84 HydrophobicContact CB-CE1 4.26Å; A65-F84 HydrophobicContact CB-CE2 4.01Å; A65-F84 HydrophobicContact CB-CG 3.63Å; A65-F84 HydrophobicContact CB-CZ 4.33Å; L80-F84 HydrophobicContact CB-CD2 4.22Å; L80-F84 HydrophobicContact CD2-CD2 4.19Å; L80-F84 HydrophobicContact CD2-CE2 3.94Å; L80-F84 WeakPolarHBondContact O-CD2 3.44Å; L80-F84 PolarHBondContact O-N 3.48Å; F84-R110 PolarHBondContact O-NH1 3.38Å; F84-D130 HydrophobicContact CE1-CB 4.18Å; F84-V131 HydrophobicContact CE1-CB 3.97Å; F84-V131 HydrophobicContact CE1-CG2 3.75Å; F84-V131 HydrophobicContact CE2-CB 4.39Å; F84-V131 HydrophobicContact CE2-CG2 4.46Å; F84-V131 HydrophobicContact CZ-CB 3.64Å; F84-V131 HydrophobicContact CZ-CG1 4.41Å; F84-V131 HydrophobicContact CZ-CG2 3.39Å | ||
| 85 | K | 98.7 | Very high | 98.6 | Very high | 142 Ų | 142 | 38.3 Ų | 38.3 | 62% | 0.617 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -63.3 | -47.1 | 178.1 | -63.1 | -178.9 | 179.9 | -179.4 | 0 | 111.3 | T62 T63 R110 | T62-K85 PolarHBondContact O-N 3Å; T63-K85 WeakPolarHBondContact O-CB 3.37Å; T63-K85 PolarHBondContact O-N 2.78Å; K85-R110 PolarHBondContact O-NH1 3.2Å |
| 86 | T | 98.9 | Very high | 98.6 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156 | 176.6 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | T63 C64 A65 R110 | T63-T86 PolarHBondContact O-N 3.05Å; T63-T86 PolarHBondContact O-OG1 2.88Å; C64-T86 WeakPolarHBondContact CA-O 3.37Å; C64-T86 PolarHBondContact SG-OG1 3.22Å; A65-T86 PolarHBondContact N-O 2.81Å; A65-T86 VanDerWaalsContact N-O 3.11Å; T86-R110 VanDerWaalsContact CA-O 3.28Å; T86-R110 WeakPolarHBondContact CA-O 3.49Å; T86-R110 WeakPolarHBondContact CB-O 3.42Å |
| 87 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.6 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | A65 D67 T76 L80 L81 M89 R110 V111 R112 | A65-V87 CarbonylContact O-C 3.58Å; A65-V87 VanDerWaalsContact O-CA 3.29Å; A65-V87 WeakPolarHBondContact O-CA 3.32Å; D67-V87 HydrophobicContact CB-CG1 4.45Å; T76-V87 HydrophobicContact CG2-CB 4.3Å; T76-V87 HydrophobicContact CG2-CG1 3.93Å; L80-V87 HydrophobicContact CB-CG1 4.42Å; L80-V87 HydrophobicContact CB-CG2 3.76Å; L80-V87 HydrophobicContact CD1-CG1 4.18Å; L81-V87 HydrophobicContact CD2-CB 4.29Å; L81-V87 HydrophobicContact CD2-CG2 3.84Å; L81-V87 HydrophobicContact CG-CG2 4.1Å; V87-M89 HydrophobicContact CG1-CG 4.5Å; V87-R110 PolarHBondContact N-O 3.38Å; V87-R110 VanDerWaalsContact N-O 3.12Å; V87-V111 HydrophobicContact CB-CG2 4.49Å; V87-V111 CarbonylContact O-C 3.59Å; V87-V111 WeakPolarHBondContact O-CA 3.35Å; V87-V111 WeakPolarHBondContact O-CG1 3.33Å; V87-R112 PolarHBondContact O-N 2.85Å |
| 88 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 148.8 | 161.1 | -73.4 | -12.5 | 0 | 0 | 0 | 108.6 | A65 L66 D67 R112 N113 F115 Y129 | A65-D88 PolarHBondContact O-N 2.84Å; L66-D88 CarbonylContact C-O 3.48Å; L66-D88 WeakPolarHBondContact CA-O 3.45Å; L66-D88 HydrophobicContact CD1-CB 3.89Å; D67-D88 PolarHBondContact N-O 3.01Å; D88-R112 WeakPolarHBondContact OD1-CB 3.39Å; D88-R112 IonicContact OD1-CZ 3.24Å; D88-R112 IonicContact OD1-NE 3.95Å; D88-R112 PolarHBondContact OD1-NE 3.44Å; D88-R112 VanDerWaalsContact OD1-NE 3.15Å; D88-R112 IonicContact OD1-NH2 3.76Å; D88-R112 IonicContact OD2-CZ 3.21Å; D88-R112 IonicContact OD2-NE 2.91Å; D88-R112 PolarHBondContact OD2-NE 2.89Å; D88-R112 IonicContact OD2-NH2 2.67Å; D88-R112 PolarHBondContact OD2-NH2 2.59Å; D88-N113 HydrophobicContact CB-CB 4.27Å; D88-N113 VanDerWaalsContact CG-ND2 3.33Å; D88-N113 WeakPolarHBondContact OD1-CB 3.45Å; D88-N113 PolarHBondContact OD1-N 2.86Å; D88-N113 PolarHBondContact OD1-ND2 2.85Å; D88-N113 PolarHBondContact OD2-ND2 3.48Å; D88-F115 HydrophobicContact CB-CE2 3.95Å; D88-Y129 HydrophobicContact CB-CE1 4.02Å; D88-Y129 PolarHBondContact OD2-OH 3.05Å |
| 89 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.5 | 177.6 | -66.3 | 174 | 63.5 | 0 | 0 | 109.2 | D67 A70 T76 V87 L97 A100 L104 V111 N113 Y114 F115 | D67-M89 HydrophobicContact CB-CG 4.33Å; A70-M89 HydrophobicContact CB-CB 3.92Å; A70-M89 HydrophobicContact CB-CE 3.55Å; A70-M89 HydrophobicContact CB-CG 4.07Å; T76-M89 HydrophobicContact CG2-CG 4.38Å; T76-M89 HydrophobicContact CG2-SD 4Å; V87-M89 HydrophobicContact CG1-CG 4.5Å; M89-L97 HydrophobicContact CB-CD2 4.29Å; M89-L97 HydrophobicContact CE-CD2 4.34Å; M89-A100 HydrophobicContact CE-CB 3.72Å; M89-A100 HydrophobicContact SD-CB 4.34Å; M89-L104 HydrophobicContact SD-CD1 3.87Å; M89-V111 HydrophobicContact CG-CG1 4.07Å; M89-V111 HydrophobicContact SD-CG1 4.07Å; M89-V111 HydrophobicContact SD-CG2 4.3Å; M89-N113 PolarHBondContact N-O 2.85Å; M89-Y114 HydrophobicContact CB-CD1 4.47Å; M89-Y114 HydrophobicContact SD-CD1 4.08Å; M89-Y114 HydrophobicContact SD-CE1 3.71Å; M89-F115 WeakPolarHBondContact O-CD2 3.44Å; M89-F115 PolarHBondContact O-N 2.76Å |
| 90 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.9 | 168.1 | 59.8 | 0 | 0 | 0 | 0 | 110 | L66 D67 C68 G69 A70 F115 C117 L119 F122 | L66-V90 HydrophobicContact CD1-CG1 4.04Å; L66-V90 HydrophobicContact CG-CG1 4.48Å; D67-V90 PolarHBondContact O-N 2.83Å; C68-V90 HydrophobicContact CB-CG1 4.09Å; G69-V90 PolarHBondContact N-O 3.09Å; A70-V90 PolarHBondContact N-O 3Å; A70-V90 VanDerWaalsContact N-O 3.15Å; V90-F115 VanDerWaalsContact CA-O 3.31Å; V90-F115 WeakPolarHBondContact CA-O 3.43Å; V90-F115 HydrophobicContact CB-CB 3.96Å; V90-F115 HydrophobicContact CB-CD2 4.47Å; V90-F115 HydrophobicContact CG2-CB 3.92Å; V90-C117 HydrophobicContact CG2-CB 4.22Å; V90-C117 WeakPolarHBondContact CG2-O 3.28Å; V90-L119 HydrophobicContact CG1-CD2 3.65Å; V90-L119 HydrophobicContact CG2-CD2 4.07Å; V90-F122 HydrophobicContact CB-CD1 4.38Å; V90-F122 HydrophobicContact CB-CE1 4.29Å; V90-F122 HydrophobicContact CB-CZ 4.35Å; V90-F122 HydrophobicContact CG1-CD1 4.08Å; V90-F122 HydrophobicContact CG1-CE1 4.05Å; V90-F122 HydrophobicContact CG2-CB 4.3Å; V90-F122 HydrophobicContact CG2-CD1 4.09Å; V90-F122 HydrophobicContact CG2-CD2 3.9Å; V90-F122 HydrophobicContact CG2-CE1 4.42Å; V90-F122 HydrophobicContact CG2-CE2 4.24Å; V90-F122 HydrophobicContact CG2-CG 3.83Å; V90-F122 HydrophobicContact CG2-CZ 4.49Å |
| 91 | D | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 155.2 | 176.3 | -157.3 | -86.3 | 0 | 0 | 0 | 109.9 | G69 A70 G71 T93 L97 F115 C116 C117 | G69-D91 WeakPolarHBondContact CA-OD2 3.34Å; A70-D91 PolarHBondContact N-OD2 2.89Å; A70-D91 VanDerWaalsContact N-OD2 3.16Å; G71-D91 WeakPolarHBondContact CA-OD2 3.35Å; G71-D91 PolarHBondContact N-OD2 2.7Å; D91-T93 WeakPolarHBondContact OD1-CB 3.19Å; D91-T93 PolarHBondContact OD1-N 2.94Å; D91-L97 HydrophobicContact CB-CD1 4.26Å; D91-L97 HydrophobicContact CB-CD2 3.73Å; D91-L97 HydrophobicContact CB-CG 3.94Å; D91-F115 PolarHBondContact N-O 3.02Å; D91-C116 CarbonylContact O-C 3.53Å; D91-C116 VanDerWaalsContact O-CA 3.25Å; D91-C116 WeakPolarHBondContact O-CA 3.39Å; D91-C117 CarbonylContact C-O 3.46Å; D91-C117 PolarHBondContact O-N 3.39Å |
| 92 | V | 98.1 | Very high | 98.3 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 35% | 0.345 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -83 | -21.6 | 178.2 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | E17 | E17-V92 HydrophobicContact CG-CG2 3.92Š|
| 93 | T | 98 | Very high | 98.3 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | trans | -99 | 106.4 | -174 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | D91 D95 F96 L97 | D91-T93 WeakPolarHBondContact OD1-CB 3.19Å; D91-T93 PolarHBondContact OD1-N 2.94Å; T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 HydrophobicContact CG2-CB 4.35Å; T93-D95 PolarHBondContact O-N 2.67Å; T93-F96 VanDerWaalsContact CB-CD2 3.45Å; T93-F96 HydrophobicContact CG2-CB 4.38Å; T93-F96 HydrophobicContact CG2-CD1 4.07Å; T93-F96 HydrophobicContact CG2-CD2 3.65Å; T93-F96 HydrophobicContact CG2-CE1 4.22Å; T93-F96 HydrophobicContact CG2-CE2 3.81Å; T93-F96 HydrophobicContact CG2-CG 3.77Å; T93-F96 HydrophobicContact CG2-CZ 4.09Å; T93-F96 WeakPolarHBondContact O-CB 3.16Å; T93-F96 PolarHBondContact O-N 2.91Å; T93-F96 VanDerWaalsContact O-N 3.09Å; T93-L97 PolarHBondContact O-N 3.23Å | ||
| 94 | E | 97.4 | Very high | 98.3 | Very high | 134 Ų | 134 | 46.5 Ų | 46.5 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -56.4 | -39.4 | -178.5 | -174.2 | 171.9 | -154.3 | 0 | 0 | 113.3 | F96 L97 T98 | E94-F96 VanDerWaalsContact C-N 3.25Å; E94-F96 PolarHBondContact O-N 2.94Å; E94-L97 PolarHBondContact O-N 3.2Å; E94-T98 WeakPolarHBondContact O-CB 3.2Å; E94-T98 PolarHBondContact O-N 3.45Å; E94-T98 PolarHBondContact O-OG1 3.34Å; E94-T98 VanDerWaalsContact O-OG1 3.08Å |
| 95 | D | 97.8 | Very high | 98.3 | Very high | 103 Ų | 103 | 48 Ų | 48 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.9 | -34.2 | 179.8 | -75.2 | -21 | 0 | 0 | 0 | 112.2 | T93 K99 | T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 HydrophobicContact CG2-CB 4.35Å; T93-D95 PolarHBondContact O-N 2.67Å; D95-K99 VanDerWaalsContact O-CB 3.3Å; D95-K99 WeakPolarHBondContact O-CB 3.18Å; D95-K99 PolarHBondContact O-N 2.85Å |
| 96 | F | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.4 | -43.1 | 176.4 | -64.4 | -18.6 | 0 | 0 | 0 | 111.9 | W20 V23 A25 M30 I72 T93 E94 T98 K99 A100 | W20-F96 HydrophobicContact CB-CE2 4.22Å; W20-F96 HydrophobicContact CD2-CE2 4.39Å; W20-F96 AromaticContact CE3-CE2 3.72Å; W20-F96 HydrophobicContact CE3-CE2 3.72Å; W20-F96 AromaticContact CE3-CZ 3.97Å; W20-F96 HydrophobicContact CE3-CZ 3.97Å; W20-F96 WeakPolarHBondContact O-CZ 3.16Å; V23-F96 HydrophobicContact CB-CZ 4.13Å; V23-F96 HydrophobicContact CG1-CZ 4.27Å; V23-F96 WeakPolarHBondContact O-CE1 3.16Å; A25-F96 HydrophobicContact CB-CD1 3.74Å; A25-F96 HydrophobicContact CB-CE1 4.02Å; M30-F96 HydrophobicContact CE-CD1 4.16Å; M30-F96 HydrophobicContact CE-CD2 4.12Å; M30-F96 HydrophobicContact CE-CE1 3.76Å; M30-F96 HydrophobicContact CE-CE2 3.72Å; M30-F96 HydrophobicContact CE-CG 4.34Å; M30-F96 HydrophobicContact CE-CZ 3.53Å; M30-F96 HydrophobicContact SD-CD2 4.35Å; M30-F96 HydrophobicContact SD-CE2 4.43Å; I72-F96 HydrophobicContact CG2-CB 4.19Å; I72-F96 HydrophobicContact CG2-CD1 4.16Å; I72-F96 HydrophobicContact CG2-CG 4.36Å; T93-F96 VanDerWaalsContact CB-CD2 3.45Å; T93-F96 HydrophobicContact CG2-CB 4.38Å; T93-F96 HydrophobicContact CG2-CD1 4.07Å; T93-F96 HydrophobicContact CG2-CD2 3.65Å; T93-F96 HydrophobicContact CG2-CE1 4.22Å; T93-F96 HydrophobicContact CG2-CE2 3.81Å; T93-F96 HydrophobicContact CG2-CG 3.77Å; T93-F96 HydrophobicContact CG2-CZ 4.09Å; T93-F96 WeakPolarHBondContact O-CB 3.16Å; T93-F96 PolarHBondContact O-N 2.91Å; T93-F96 VanDerWaalsContact O-N 3.09Å; E94-F96 VanDerWaalsContact C-N 3.25Å; E94-F96 PolarHBondContact O-N 2.94Å; F96-T98 VanDerWaalsContact C-N 3.32Å; F96-T98 PolarHBondContact O-N 3.21Å; F96-K99 WeakPolarHBondContact O-CB 3.21Å; F96-K99 PolarHBondContact O-N 2.82Å; F96-A100 WeakPolarHBondContact O-CB 3.32Å; F96-A100 PolarHBondContact O-N 3.35Å |
| 97 | L | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 175.6 | -63.6 | 176.3 | 0 | 0 | 0 | 111.5 | M89 D91 T93 E94 A100 R101 Y114 F115 C116 | M89-L97 HydrophobicContact CB-CD2 4.29Å; M89-L97 HydrophobicContact CE-CD2 4.34Å; D91-L97 HydrophobicContact CB-CD1 4.26Å; D91-L97 HydrophobicContact CB-CD2 3.73Å; D91-L97 HydrophobicContact CB-CG 3.94Å; T93-L97 PolarHBondContact O-N 3.23Å; E94-L97 PolarHBondContact O-N 3.2Å; L97-A100 WeakPolarHBondContact O-CB 3.37Å; L97-A100 PolarHBondContact O-N 2.97Å; L97-R101 PolarHBondContact O-N 3.38Å; L97-Y114 HydrophobicContact CB-CD1 4.47Å; L97-Y114 HydrophobicContact CD2-CD1 4.31Å; L97-F115 WeakPolarHBondContact CD1-O 3.37Å; L97-C116 HydrophobicContact CD1-CB 3.82Å |
| 98 | T | 98 | Very high | 98.1 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 173.1 | -64 | 0 | 0 | 0 | 0 | 110.7 | E94 F96 A100 R101 | E94-T98 WeakPolarHBondContact O-CB 3.2Å; E94-T98 PolarHBondContact O-N 3.45Å; E94-T98 PolarHBondContact O-OG1 3.34Å; E94-T98 VanDerWaalsContact O-OG1 3.08Å; F96-T98 VanDerWaalsContact C-N 3.32Å; F96-T98 PolarHBondContact O-N 3.21Å; T98-A100 VanDerWaalsContact C-N 3.29Å; T98-A100 PolarHBondContact O-N 3.34Å; T98-R101 PolarHBondContact O-N 3.4Å |
| 99 | K | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 60.3 Ų | 60.3 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 175.5 | -177.7 | 64 | 174.3 | 179.4 | 0 | 111.9 | A25 I72 D95 F96 R101 S102 Y103 | A25-K99 HydrophobicContact CB-CB 3.89Å; A25-K99 HydrophobicContact CB-CD 4.44Å; A25-K99 HydrophobicContact CB-CG 3.77Å; I72-K99 HydrophobicContact CB-CG 4.3Å; I72-K99 HydrophobicContact CG2-CB 4.04Å; I72-K99 HydrophobicContact CG2-CG 3.85Å; D95-K99 VanDerWaalsContact O-CB 3.3Å; D95-K99 WeakPolarHBondContact O-CB 3.18Å; D95-K99 PolarHBondContact O-N 2.85Å; F96-K99 WeakPolarHBondContact O-CB 3.21Å; F96-K99 PolarHBondContact O-N 2.82Å; K99-R101 PolarHBondContact O-N 2.99Å; K99-S102 PolarHBondContact O-N 3.12Å; K99-S102 PolarHBondContact O-OG 3.32Å; K99-Y103 PolarHBondContact O-N 3.06Å |
| 100 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.5 | -40.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I72 M89 F96 L97 T98 S102 Y103 L104 Y114 | I72-A100 VanDerWaalsContact O-CA 3.3Å; I72-A100 WeakPolarHBondContact O-CA 3.41Å; I72-A100 VanDerWaalsContact O-CB 3.25Å; I72-A100 WeakPolarHBondContact O-CB 3.46Å; M89-A100 HydrophobicContact CE-CB 3.72Å; M89-A100 HydrophobicContact SD-CB 4.34Å; F96-A100 WeakPolarHBondContact O-CB 3.32Å; F96-A100 PolarHBondContact O-N 3.35Å; L97-A100 WeakPolarHBondContact O-CB 3.37Å; L97-A100 PolarHBondContact O-N 2.97Å; T98-A100 VanDerWaalsContact C-N 3.29Å; T98-A100 PolarHBondContact O-N 3.34Å; A100-S102 PolarHBondContact O-N 3.37Å; A100-Y103 PolarHBondContact O-N 3.44Å; A100-Y103 VanDerWaalsContact O-N 3.12Å; A100-L104 HydrophobicContact CB-CD1 4.33Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 WeakPolarHBondContact O-CG 3.35Å; A100-L104 PolarHBondContact O-N 2.95Å; A100-Y114 HydrophobicContact CB-CE1 3.98Å |
| 101 | R | 96.5 | Very high | 98 | Very high | 151 Ų | 151 | 63.8 Ų | 63.8 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -54.1 | -39.5 | 178.1 | -62 | -178.2 | -176.2 | -77.9 | -0.9 | 112.7 | L97 T98 K99 Y114 | L97-R101 PolarHBondContact O-N 3.38Å; T98-R101 PolarHBondContact O-N 3.4Å; K99-R101 PolarHBondContact O-N 2.99Å; R101-Y114 HydrophobicContact CG-CE1 4.16Å; R101-Y114 HydrophobicContact CG-CE2 4.49Å |
| 102 | S | 97.4 | Very high | 98 | Very high | 76 Ų | 76 | 68.9 Ų | 68.9 | 53% | 0.531 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -82.7 | -41 | 175.3 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | K99 A100 L104 G105 | K99-S102 PolarHBondContact O-N 3.12Å; K99-S102 PolarHBondContact O-OG 3.32Å; A100-S102 PolarHBondContact O-N 3.37Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 3.18Å; S102-G105 PolarHBondContact O-N 2.82Å |
| 103 | Y | 98.5 | Very high | 98 | Very high | 55 Ų | 55 | 68.9 Ų | 68.9 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | -176.5 | 172.8 | -102.4 | 0 | 0 | 0 | 112.2 | V27 I72 K77 K99 A100 G105 | V27-Y103 HydrophobicContact CG2-CE2 3.96Å; V27-Y103 WeakPolarHBondContact CG2-OH 3.35Å; I72-Y103 HydrophobicContact CD1-CD1 4.36Å; I72-Y103 HydrophobicContact CD1-CD2 4.08Å; I72-Y103 HydrophobicContact CD1-CE1 4.41Å; I72-Y103 HydrophobicContact CD1-CE2 4.14Å; I72-Y103 HydrophobicContact CD1-CG 4.18Å; I72-Y103 HydrophobicContact CG1-CD1 4.26Å; I72-Y103 HydrophobicContact CG1-CE1 4.39Å; I72-Y103 HydrophobicContact CG1-CG 4.46Å; I72-Y103 WeakPolarHBondContact O-CD1 3.46Å; K77-Y103 HydrophobicContact CB-CE1 3.88Å; K77-Y103 HydrophobicContact CD-CD1 3.96Å; K77-Y103 HydrophobicContact CD-CE1 3.44Å; K77-Y103 VanDerWaalsContact CD-CE1 3.44Å; K77-Y103 HydrophobicContact CD-CE2 4.32Å; K77-Y103 WeakPolarHBondContact CE-O 3.36Å; K77-Y103 HydrophobicContact CG-CE1 4.28Å; K77-Y103 PolarHBondContact NZ-O 3.01Å; K99-Y103 PolarHBondContact O-N 3.06Å; A100-Y103 PolarHBondContact O-N 3.44Å; A100-Y103 VanDerWaalsContact O-N 3.12Å; Y103-G105 VanDerWaalsContact C-N 3.31Å; Y103-G105 PolarHBondContact O-N 3.05Å |
| 104 | L | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.6 | -28.4 | -177.8 | -66.5 | 173.2 | 0 | 0 | 0 | 112.6 | T76 K77 L81 M89 A100 S102 V111 Y114 | T76-L104 HydrophobicContact CG2-CD1 4.15Å; T76-L104 HydrophobicContact CG2-CD2 3.76Å; K77-L104 HydrophobicContact CB-CD2 3.69Å; K77-L104 HydrophobicContact CG-CD2 4.22Å; K77-L104 VanDerWaalsContact NZ-C 3.34Å; K77-L104 PolarHBondContact NZ-O 3.26Å; L81-L104 HydrophobicContact CD1-CD2 4.17Å; M89-L104 HydrophobicContact SD-CD1 3.87Å; A100-L104 HydrophobicContact CB-CD1 4.33Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 WeakPolarHBondContact O-CG 3.35Å; A100-L104 PolarHBondContact O-N 2.95Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 3.18Å; L104-V111 HydrophobicContact CD1-CG2 3.62Å; L104-Y114 HydrophobicContact CD1-CE1 4.29Å; L104-Y114 WeakPolarHBondContact CD1-OH 3.24Å |
| 105 | G | 97.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 66.9 Ų | 66.9 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | 67.9 | -152.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S102 Y103 E107 G108 | S102-G105 PolarHBondContact O-N 2.82Å; Y103-G105 VanDerWaalsContact C-N 3.31Å; Y103-G105 PolarHBondContact O-N 3.05Å; G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 2.98Å; G105-G108 WeakPolarHBondContact O-CA 3.45Å; G105-G108 PolarHBondContact O-N 2.97Å |
| 106 | E | 97.2 | Very high | 98.2 | Very high | 152 Ų | 152 | 65.3 Ų | 65.3 | 71% | 0.71 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -54.7 | -39.4 | -176.4 | -69.4 | -58.9 | 137.4 | 0 | 0 | 113.9 | G108 R109 | E106-G108 PolarHBondContact O-N 3.11Å; E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 VanDerWaalsContact O-CD 3.27Å; E106-R109 WeakPolarHBondContact O-CD 3.19Å; E106-R109 WeakPolarHBondContact O-CG 3.44Å; E106-R109 PolarHBondContact O-N 3.1Å |
| 107 | E | 97.9 | Very high | 98.2 | Very high | 86 Ų | 86 | 66.8 Ų | 66.8 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -66.3 | -20.8 | 178.3 | -64.4 | -55.8 | 122.2 | 0 | 0 | 112.7 | L81 G105 R109 R110 | L81-E107 HydrophobicContact CD1-CB 4.11Å; G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 2.98Å; E107-R109 PolarHBondContact O-N 2.87Å; E107-R109 VanDerWaalsContact O-N 3.15Å; E107-R110 WeakPolarHBondContact O-CB 3.32Å; E107-R110 PolarHBondContact O-N 3.16Å; E107-R110 IonicContact OE2-CZ 2.69Å; E107-R110 IonicContact OE2-NE 2.72Å; E107-R110 PolarHBondContact OE2-NE 2.81Å; E107-R110 IonicContact OE2-NH2 3.17Å; E107-R110 PolarHBondContact OE2-NH2 3.19Å |
| 108 | G | 97.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 66.8 Ų | 66.8 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -60.2 | -19.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | G105 E106 R110 V111 | G105-G108 WeakPolarHBondContact O-CA 3.45Å; G105-G108 PolarHBondContact O-N 2.97Å; E106-G108 PolarHBondContact O-N 3.11Å; G108-R110 PolarHBondContact O-N 3.05Å; G108-R110 VanDerWaalsContact O-N 3.15Å; G108-V111 WeakPolarHBondContact O-CB 3.38Å; G108-V111 PolarHBondContact O-N 2.93Å |
| 109 | R | 98 | Very high | 98.2 | Very high | 198 Ų | 198 | 63.3 Ų | 63.3 | 75% | 0.747 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -62 | -17.9 | 172.2 | 76.8 | -166.8 | 170.9 | 146.5 | -3.3 | 113.7 | E106 E107 | E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 VanDerWaalsContact O-CD 3.27Å; E106-R109 WeakPolarHBondContact O-CD 3.19Å; E106-R109 WeakPolarHBondContact O-CG 3.44Å; E106-R109 PolarHBondContact O-N 3.1Å; E107-R109 PolarHBondContact O-N 2.87Å; E107-R109 VanDerWaalsContact O-N 3.15Å |
| 110 | R | 98.7 | Very high | 98.2 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -91 | -1.3 | 175.9 | -60.3 | -172.2 | -65.7 | 114 | -8.2 | 112.6 | L81 F84 K85 T86 V87 E107 G108 R112 | L81-R110 HydrophobicContact CD2-CB 3.87Å; L81-R110 PolarHBondContact O-NH1 3.38Å; L81-R110 PolarHBondContact O-NH2 3.07Å; F84-R110 PolarHBondContact O-NH1 3.38Å; K85-R110 PolarHBondContact O-NH1 3.2Å; T86-R110 VanDerWaalsContact CA-O 3.28Å; T86-R110 WeakPolarHBondContact CA-O 3.49Å; T86-R110 WeakPolarHBondContact CB-O 3.42Å; V87-R110 PolarHBondContact N-O 3.38Å; V87-R110 VanDerWaalsContact N-O 3.12Å; E107-R110 WeakPolarHBondContact O-CB 3.32Å; E107-R110 PolarHBondContact O-N 3.16Å; E107-R110 IonicContact OE2-CZ 2.69Å; E107-R110 IonicContact OE2-NE 2.72Å; E107-R110 PolarHBondContact OE2-NE 2.81Å; E107-R110 IonicContact OE2-NH2 3.17Å; E107-R110 PolarHBondContact OE2-NH2 3.19Å; G108-R110 PolarHBondContact O-N 3.05Å; G108-R110 VanDerWaalsContact O-N 3.15Å; R110-R112 PolarHBondContact O-N 2.85Å |
| 111 | V | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 115.6 | 165.1 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | T76 L81 V87 M89 L104 G108 Y114 | T76-V111 HydrophobicContact CG2-CG2 3.89Å; L81-V111 HydrophobicContact CD1-CG2 4.41Å; L81-V111 HydrophobicContact CD2-CG2 4.33Å; V87-V111 HydrophobicContact CB-CG2 4.49Å; V87-V111 CarbonylContact O-C 3.59Å; V87-V111 WeakPolarHBondContact O-CA 3.35Å; V87-V111 WeakPolarHBondContact O-CG1 3.33Å; M89-V111 HydrophobicContact CG-CG1 4.07Å; M89-V111 HydrophobicContact SD-CG1 4.07Å; M89-V111 HydrophobicContact SD-CG2 4.3Å; L104-V111 HydrophobicContact CD1-CG2 3.62Å; G108-V111 WeakPolarHBondContact O-CB 3.38Å; G108-V111 PolarHBondContact O-N 2.93Å; V111-Y114 HydrophobicContact CB-CE1 4.5Å; V111-Y114 HydrophobicContact CB-CE2 3.8Å; V111-Y114 WeakPolarHBondContact CB-OH 3.42Å; V111-Y114 HydrophobicContact CG1-CD1 4.35Å; V111-Y114 HydrophobicContact CG1-CD2 3.92Å; V111-Y114 HydrophobicContact CG1-CE1 3.92Å; V111-Y114 HydrophobicContact CG1-CE2 3.43Å; V111-Y114 VanDerWaalsContact CG1-CE2 3.43Å; V111-Y114 HydrophobicContact CG1-CG 4.36Å; V111-Y114 VanDerWaalsContact CG1-CZ 3.44Å |
| 112 | R | 98.4 | Very high | 98.3 | Very high | 122 Ų | 122 | 59.3 Ų | 59.3 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -47.4 | -173.3 | 167 | -172 | 67.9 | 170.2 | 2.3 | 110.8 | V87 D88 R110 | V87-R112 PolarHBondContact O-N 2.85Å; D88-R112 WeakPolarHBondContact OD1-CB 3.39Å; D88-R112 IonicContact OD1-CZ 3.24Å; D88-R112 IonicContact OD1-NE 3.95Å; D88-R112 PolarHBondContact OD1-NE 3.44Å; D88-R112 VanDerWaalsContact OD1-NE 3.15Å; D88-R112 IonicContact OD1-NH2 3.76Å; D88-R112 IonicContact OD2-CZ 3.21Å; D88-R112 IonicContact OD2-NE 2.91Å; D88-R112 PolarHBondContact OD2-NE 2.89Å; D88-R112 IonicContact OD2-NH2 2.67Å; D88-R112 PolarHBondContact OD2-NH2 2.59Å; R110-R112 PolarHBondContact O-N 2.85Å |
| 113 | N | 98.8 | Very high | 98.4 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.2 | 179.5 | -57.5 | -57.4 | 0 | 0 | 0 | 112.4 | D88 M89 F115 | D88-N113 HydrophobicContact CB-CB 4.27Å; D88-N113 VanDerWaalsContact CG-ND2 3.33Å; D88-N113 WeakPolarHBondContact OD1-CB 3.45Å; D88-N113 PolarHBondContact OD1-N 2.86Å; D88-N113 PolarHBondContact OD1-ND2 2.85Å; D88-N113 PolarHBondContact OD2-ND2 3.48Å; M89-N113 PolarHBondContact N-O 2.85Å; N113-F115 HydrophobicContact CB-CD1 4.38Å; N113-F115 HydrophobicContact CB-CD2 3.99Å; N113-F115 HydrophobicContact CB-CE1 3.82Å; N113-F115 HydrophobicContact CB-CE2 3.38Å; N113-F115 HydrophobicContact CB-CG 4.46Å; N113-F115 HydrophobicContact CB-CZ 3.29Å |
| 114 | Y | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 57 Ų | 57 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 98.6 | 169 | -64.4 | -102.5 | 0 | 0 | 0 | 107.1 | M89 L97 A100 R101 L104 V111 | M89-Y114 HydrophobicContact CB-CD1 4.47Å; M89-Y114 HydrophobicContact SD-CD1 4.08Å; M89-Y114 HydrophobicContact SD-CE1 3.71Å; L97-Y114 HydrophobicContact CB-CD1 4.47Å; L97-Y114 HydrophobicContact CD2-CD1 4.31Å; A100-Y114 HydrophobicContact CB-CE1 3.98Å; R101-Y114 HydrophobicContact CG-CE1 4.16Å; R101-Y114 HydrophobicContact CG-CE2 4.49Å; L104-Y114 HydrophobicContact CD1-CE1 4.29Å; L104-Y114 WeakPolarHBondContact CD1-OH 3.24Å; V111-Y114 HydrophobicContact CB-CE1 4.5Å; V111-Y114 HydrophobicContact CB-CE2 3.8Å; V111-Y114 WeakPolarHBondContact CB-OH 3.42Å; V111-Y114 HydrophobicContact CG1-CD1 4.35Å; V111-Y114 HydrophobicContact CG1-CD2 3.92Å; V111-Y114 HydrophobicContact CG1-CE1 3.92Å; V111-Y114 HydrophobicContact CG1-CE2 3.43Å; V111-Y114 VanDerWaalsContact CG1-CE2 3.43Å; V111-Y114 HydrophobicContact CG1-CG 4.36Å; V111-Y114 VanDerWaalsContact CG1-CZ 3.44Å |
| 115 | F | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 62.7 Ų | 62.7 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114 | -177.7 | -58.2 | -70.1 | 0 | 0 | 0 | 110 | D88 M89 V90 D91 L97 N113 C117 F122 | D88-F115 HydrophobicContact CB-CE2 3.95Å; M89-F115 WeakPolarHBondContact O-CD2 3.44Å; M89-F115 PolarHBondContact O-N 2.76Å; V90-F115 VanDerWaalsContact CA-O 3.31Å; V90-F115 WeakPolarHBondContact CA-O 3.43Å; V90-F115 HydrophobicContact CB-CB 3.96Å; V90-F115 HydrophobicContact CB-CD2 4.47Å; V90-F115 HydrophobicContact CG2-CB 3.92Å; D91-F115 PolarHBondContact N-O 3.02Å; L97-F115 WeakPolarHBondContact CD1-O 3.37Å; N113-F115 HydrophobicContact CB-CD1 4.38Å; N113-F115 HydrophobicContact CB-CD2 3.99Å; N113-F115 HydrophobicContact CB-CE1 3.82Å; N113-F115 HydrophobicContact CB-CE2 3.38Å; N113-F115 HydrophobicContact CB-CG 4.46Å; N113-F115 HydrophobicContact CB-CZ 3.29Å; F115-C117 PolarHBondContact O-N 2.93Å; F115-F122 HydrophobicContact CB-CD2 4.43Å; F115-F122 HydrophobicContact CB-CE2 3.9Å; F115-F122 HydrophobicContact CD1-CE2 4.14Å; F115-F122 AromaticContact CD2-CE2 3.76Å; F115-F122 HydrophobicContact CD2-CE2 3.76Å; F115-F122 AromaticContact CD2-CZ 3.73Å; F115-F122 HydrophobicContact CD2-CZ 3.73Å; F115-F122 HydrophobicContact CE2-CE2 4.26Å; F115-F122 HydrophobicContact CE2-CZ 4.02Å; F115-F122 AromaticContact CG-CE2 3.68Å; F115-F122 HydrophobicContact CG-CE2 3.68Å; F115-F122 HydrophobicContact CG-CZ 4.15Å |
| 116 | C | 98.6 | Very high | 98.4 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 47% | 0.473 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 91.2 | 171.5 | -164.5 | 0 | 0 | 0 | 0 | 108.9 | D91 L97 | D91-C116 CarbonylContact O-C 3.53Å; D91-C116 VanDerWaalsContact O-CA 3.25Å; D91-C116 WeakPolarHBondContact O-CA 3.39Å; L97-C116 HydrophobicContact CD1-CB 3.82Å |
| 117 | C | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | trans | -157.7 | 138.2 | -172.7 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | V90 D91 F115 F122 | V90-C117 HydrophobicContact CG2-CB 4.22Å; V90-C117 WeakPolarHBondContact CG2-O 3.28Å; D91-C117 CarbonylContact C-O 3.46Å; D91-C117 PolarHBondContact O-N 3.39Å; F115-C117 PolarHBondContact O-N 2.93Å; C117-F122 HydrophobicContact CB-CB 4.38Å; C117-F122 HydrophobicContact CB-CD2 4.18Å | ||
| 118 | G | 98.5 | Very high | 98.5 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | trans | -65.9 | 140.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q120 D121 F122 | G118-Q120 PolarHBondContact O-N 3.43Å; G118-D121 PolarHBondContact O-N 3Å; G118-F122 PolarHBondContact O-N 3.45Å | ||
| 119 | L | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25 | -176.4 | -60.3 | -176.4 | 0 | 0 | 0 | 112.7 | C68 V90 D121 F122 V137 L141 F149 R152 | C68-L119 HydrophobicContact CB-CD1 4.1Å; C68-L119 HydrophobicContact CB-CD2 4.06Å; V90-L119 HydrophobicContact CG1-CD2 3.65Å; V90-L119 HydrophobicContact CG2-CD2 4.07Å; L119-D121 PolarHBondContact O-N 2.82Å; L119-F122 PolarHBondContact O-N 3.47Å; L119-V137 HydrophobicContact CD1-CB 4.45Å; L119-V137 HydrophobicContact CD1-CG1 3.73Å; L119-V137 HydrophobicContact CD1-CG2 3.82Å; L119-L141 HydrophobicContact CB-CD1 3.98Å; L119-L141 HydrophobicContact CB-CD2 4.13Å; L119-L141 HydrophobicContact CB-CG 4.48Å; L119-F149 HydrophobicContact CB-CD1 4.28Å; L119-F149 HydrophobicContact CB-CD2 4.31Å; L119-F149 HydrophobicContact CB-CE1 4.19Å; L119-F149 HydrophobicContact CB-CE2 4.25Å; L119-F149 HydrophobicContact CB-CG 4.33Å; L119-F149 HydrophobicContact CB-CZ 4.18Å; L119-F149 HydrophobicContact CD1-CD1 4.49Å; L119-F149 HydrophobicContact CD1-CE1 3.91Å; L119-F149 HydrophobicContact CD1-CZ 4.24Å; L119-F149 HydrophobicContact CD2-CE1 4.3Å; L119-F149 HydrophobicContact CD2-CE2 4.21Å; L119-F149 HydrophobicContact CD2-CZ 3.78Å; L119-F149 HydrophobicContact CG-CE1 4.37Å; L119-F149 HydrophobicContact CG-CZ 4.29Å; L119-F149 WeakPolarHBondContact O-CD2 3.32Å; L119-R152 PolarHBondContact O-NH2 3.14Å |
| 120 | Q | 98.5 | Very high | 98.6 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -31.8 | 173.3 | 69.6 | -75.9 | -0.5 | 0 | 0 | 112.4 | Y13 G118 L141 H145 R152 | Y13-Q120 HydrophobicContact CE1-CG 4.38Å; G118-Q120 PolarHBondContact O-N 3.43Å; Q120-L141 HydrophobicContact CB-CD2 3.95Å; Q120-H145 HydrophobicContact CB-CB 3.93Å; Q120-R152 VanDerWaalsContact C-NH2 3.35Å; Q120-R152 PolarHBondContact O-NH2 3.38Å |
| 121 | D | 98.4 | Very high | 98.6 | Very high | 115 Ų | 115 | 47 Ų | 47 | 62% | 0.615 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -17.8 | -178.6 | -58.8 | -52.2 | 0 | 0 | 0 | 112.9 | G118 L119 | G118-D121 PolarHBondContact O-N 3Å; L119-D121 PolarHBondContact O-N 2.82Å |
| 122 | F | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | trans | -74.2 | 134.1 | -176.7 | -174 | -112.6 | 0 | 0 | 0 | 112.9 | L66 V90 F115 C117 G118 L119 P124 F149 R152 | L66-F122 HydrophobicContact CD1-CE1 4.37Å; L66-F122 HydrophobicContact CD2-CE1 3.8Å; V90-F122 HydrophobicContact CB-CD1 4.38Å; V90-F122 HydrophobicContact CB-CE1 4.29Å; V90-F122 HydrophobicContact CB-CZ 4.35Å; V90-F122 HydrophobicContact CG1-CD1 4.08Å; V90-F122 HydrophobicContact CG1-CE1 4.05Å; V90-F122 HydrophobicContact CG2-CB 4.3Å; V90-F122 HydrophobicContact CG2-CD1 4.09Å; V90-F122 HydrophobicContact CG2-CD2 3.9Å; V90-F122 HydrophobicContact CG2-CE1 4.42Å; V90-F122 HydrophobicContact CG2-CE2 4.24Å; V90-F122 HydrophobicContact CG2-CG 3.83Å; V90-F122 HydrophobicContact CG2-CZ 4.49Å; F115-F122 HydrophobicContact CB-CD2 4.43Å; F115-F122 HydrophobicContact CB-CE2 3.9Å; F115-F122 HydrophobicContact CD1-CE2 4.14Å; F115-F122 AromaticContact CD2-CE2 3.76Å; F115-F122 HydrophobicContact CD2-CE2 3.76Å; F115-F122 AromaticContact CD2-CZ 3.73Å; F115-F122 HydrophobicContact CD2-CZ 3.73Å; F115-F122 HydrophobicContact CE2-CE2 4.26Å; F115-F122 HydrophobicContact CE2-CZ 4.02Å; F115-F122 AromaticContact CG-CE2 3.68Å; F115-F122 HydrophobicContact CG-CE2 3.68Å; F115-F122 HydrophobicContact CG-CZ 4.15Å; C117-F122 HydrophobicContact CB-CB 4.38Å; C117-F122 HydrophobicContact CB-CD2 4.18Å; G118-F122 PolarHBondContact O-N 3.45Å; L119-F122 PolarHBondContact O-N 3.47Å; F122-P124 HydrophobicContact CD1-CG 4.08Å; F122-P124 HydrophobicContact CE1-CB 4.17Å; F122-P124 HydrophobicContact CE1-CG 3.76Å; F122-F149 HydrophobicContact CD1-CE2 4.03Å; F122-R152 VanDerWaalsContact O-CZ 3.31Å; F122-R152 PolarHBondContact O-NE 2.92Å; F122-R152 PolarHBondContact O-NH2 3.03Å | ||
| 123 | S | 98.4 | Very high | 98.6 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | trans | -121.5 | 108 | 174.4 | -63.5 | 0 | 0 | 0 | 0 | 109.7 | E125 R152 | S123-E125 PolarHBondContact O-N 3.12Å; S123-R152 VanDerWaalsContact OG-CD 3.25Å; S123-R152 WeakPolarHBondContact OG-CD 3.5Å | ||
| 124 | P | 98.3 | Very high | 98.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 134.7 | 173.9 | -18.6 | 30.4 | 0 | 0 | 0 | 110.5 | L66 F122 Y129 F149 | L66-P124 HydrophobicContact CD2-CB 4.18Å; L66-P124 HydrophobicContact CD2-CG 4.06Å; F122-P124 HydrophobicContact CD1-CG 4.08Å; F122-P124 HydrophobicContact CE1-CB 4.17Å; F122-P124 HydrophobicContact CE1-CG 3.76Å; P124-Y129 HydrophobicContact CB-CD2 4.15Å; P124-Y129 HydrophobicContact CB-CE2 3.68Å; P124-F149 HydrophobicContact CG-CE2 4.46Å |
| 125 | E | 98.2 | Very high | 98.6 | Very high | 123 Ų | 123 | 36.6 Ų | 36.6 | 58% | 0.575 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -53.8 | 134 | 175.4 | -74.4 | -60.4 | 145.4 | 0 | 0 | 111.2 | S123 S128 G156 | S123-E125 PolarHBondContact O-N 3.12Å; E125-S128 VanDerWaalsContact CB-OG 3.27Å; E125-S128 WeakPolarHBondContact CB-OG 3.24Å; E125-S128 WeakPolarHBondContact O-CB 3.4Å; E125-S128 PolarHBondContact O-OG 3.47Å; E125-S128 VanDerWaalsContact O-OG 3.1Å; E125-G156 WeakPolarHBondContact O-CA 3.49Å |
| 126 | P | 98.4 | Very high | 98.6 | Very high | 89 Ų | 89 | 36.3 Ų | 36.3 | 58% | 0.578 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 144.2 | -178.3 | -26.9 | 34.6 | 0 | 0 | 0 | 112.9 | S128 A155 | P126-S128 PolarHBondContact O-N 2.91Å; P126-S128 VanDerWaalsContact O-N 3.11Å; P126-S128 PolarHBondContact O-OG 2.86Å; P126-A155 VanDerWaalsContact CA-O 3.31Å; P126-A155 WeakPolarHBondContact CA-O 3.45Å |
| 127 | N | 98.4 | Very high | 98.6 | Very high | 96 Ų | 96 | 33.9 Ų | 33.9 | 51% | 0.513 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 34.6 | 172.9 | -170.3 | 36.8 | 0 | 0 | 0 | 114.5 | A155 L157 R158 P159 | N127-A155 PolarHBondContact N-O 2.87Å; N127-L157 WeakPolarHBondContact CA-O 3.27Å; N127-R158 WeakPolarHBondContact O-CG 3.44Å; N127-R158 VanDerWaalsContact OD1-CA 3.31Å; N127-R158 WeakPolarHBondContact OD1-CA 3.42Å; N127-P159 WeakPolarHBondContact OD1-CD 3.19Å |
| 128 | S | 98.7 | Very high | 98.7 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | trans | -103.7 | -31.1 | -170.7 | -72.6 | 0 | 0 | 0 | 0 | 114.4 | E125 P126 G156 R158 | E125-S128 VanDerWaalsContact CB-OG 3.27Å; E125-S128 WeakPolarHBondContact CB-OG 3.24Å; E125-S128 WeakPolarHBondContact O-CB 3.4Å; E125-S128 PolarHBondContact O-OG 3.47Å; E125-S128 VanDerWaalsContact O-OG 3.1Å; P126-S128 PolarHBondContact O-N 2.91Å; P126-S128 VanDerWaalsContact O-N 3.11Å; P126-S128 PolarHBondContact O-OG 2.86Å; S128-G156 PolarHBondContact N-O 3.15Å; S128-R158 PolarHBondContact O-NE 3.22Å | ||
| 129 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.2 | -167.2 | -53.3 | -74.7 | 0 | 0 | 0 | 112.6 | C64 L66 D88 P124 I132 G156 L157 R158 | C64-Y129 HydrophobicContact CB-CD1 4.5Å; L66-Y129 HydrophobicContact CB-CD1 3.67Å; L66-Y129 HydrophobicContact CB-CD2 4.35Å; L66-Y129 HydrophobicContact CB-CE1 3.77Å; L66-Y129 HydrophobicContact CB-CE2 4.45Å; L66-Y129 HydrophobicContact CB-CG 3.96Å; L66-Y129 HydrophobicContact CD1-CE1 4.39Å; L66-Y129 HydrophobicContact CD2-CD2 4.48Å; L66-Y129 HydrophobicContact CD2-CE2 4.21Å; D88-Y129 HydrophobicContact CB-CE1 4.02Å; D88-Y129 PolarHBondContact OD2-OH 3.05Å; P124-Y129 HydrophobicContact CB-CD2 4.15Å; P124-Y129 HydrophobicContact CB-CE2 3.68Å; Y129-I132 HydrophobicContact CD2-CD1 4.19Å; Y129-I132 HydrophobicContact CD2-CG1 4.2Å; Y129-I132 HydrophobicContact CG-CG1 4.14Å; Y129-G156 PolarHBondContact N-O 2.88Å; Y129-L157 WeakPolarHBondContact O-CA 3.12Å; Y129-R158 PolarHBondContact O-N 2.69Å |
| 130 | D | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -35.7 | 168.9 | -56.1 | -67.3 | 0 | 0 | 0 | 110.7 | T60 G61 T63 C64 F84 R158 G161 I162 | T60-D130 HydrophobicContact CG2-CB 4.12Å; T60-D130 WeakPolarHBondContact CG2-O 3.39Å; G61-D130 VanDerWaalsContact C-CB 3.49Å; G61-D130 VanDerWaalsContact C-CG 3.44Å; G61-D130 WeakPolarHBondContact CA-OD1 3.24Å; G61-D130 WeakPolarHBondContact O-CB 3.48Å; T63-D130 WeakPolarHBondContact CA-OD2 3.31Å; T63-D130 WeakPolarHBondContact CB-OD2 3.35Å; T63-D130 PolarHBondContact N-OD2 3.15Å; C64-D130 PolarHBondContact N-OD2 3.22Å; C64-D130 PolarHBondContact O-N 2.83Å; F84-D130 HydrophobicContact CE1-CB 4.18Å; D130-R158 WeakPolarHBondContact OD1-CD 3.47Å; D130-G161 CarbonylContact O-C 3.58Å; D130-G161 WeakPolarHBondContact O-CA 3.37Å; D130-I162 PolarHBondContact O-N 3.23Å |
| 131 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132 | 173.4 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L49 T60 A65 L66 F84 W133 I162 | L49-V131 HydrophobicContact CD2-CG1 4.3Å; L49-V131 HydrophobicContact CD2-CG2 4.39Å; T60-V131 HydrophobicContact CG2-CG2 3.77Å; A65-V131 CarbonylContact C-O 3.49Å; A65-V131 WeakPolarHBondContact CA-O 3.24Å; A65-V131 HydrophobicContact CB-CB 4.38Å; L66-V131 PolarHBondContact N-O 2.88Å; F84-V131 HydrophobicContact CE1-CB 3.97Å; F84-V131 HydrophobicContact CE1-CG2 3.75Å; F84-V131 HydrophobicContact CE2-CB 4.39Å; F84-V131 HydrophobicContact CE2-CG2 4.46Å; F84-V131 HydrophobicContact CZ-CB 3.64Å; F84-V131 HydrophobicContact CZ-CG1 4.41Å; F84-V131 HydrophobicContact CZ-CG2 3.39Å; V131-W133 HydrophobicContact CG1-CB 4.45Å; V131-W133 HydrophobicContact CG1-CE3 4.46Å; V131-I162 WeakPolarHBondContact CA-O 3.41Å; V131-I162 HydrophobicContact CG2-CD1 4.37Å; V131-I162 HydrophobicContact CG2-CG1 3.87Å |
| 132 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 113.8 | 165.2 | -60.6 | 174.6 | 0 | 0 | 0 | 107.1 | L66 Y129 I134 C153 L157 I162 V163 V164 | L66-I132 HydrophobicContact CB-CG1 4.18Å; L66-I132 HydrophobicContact CB-CG2 4.37Å; L66-I132 HydrophobicContact CD2-CG1 4.35Å; L66-I132 HydrophobicContact CD2-CG2 3.99Å; L66-I132 HydrophobicContact CG-CG2 4.44Å; Y129-I132 HydrophobicContact CD2-CD1 4.19Å; Y129-I132 HydrophobicContact CD2-CG1 4.2Å; Y129-I132 HydrophobicContact CG-CG1 4.14Å; I132-I134 HydrophobicContact CG2-CD1 4.33Å; I132-I134 HydrophobicContact CG2-CG1 4.08Å; I132-C153 HydrophobicContact CD1-CB 3.75Å; I132-C153 VanDerWaalsContact CD1-O 3.27Å; I132-C153 WeakPolarHBondContact CD1-O 3.28Å; I132-C153 HydrophobicContact CG2-CB 4.45Å; I132-L157 HydrophobicContact CD1-CD2 3.91Å; I132-L157 HydrophobicContact CG1-CD2 4.05Å; I132-I162 PolarHBondContact N-O 3.25Å; I132-V163 HydrophobicContact CB-CG2 4.33Å; I132-V163 CarbonylContact O-C 3.45Å; I132-V163 WeakPolarHBondContact O-CA 3.06Å; I132-V164 PolarHBondContact O-N 3.16Å |
| 133 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.6 | -177.3 | -169.4 | -86.9 | 0 | 0 | 0 | 110.1 | L49 L66 C68 I75 L79 L80 V131 V164 K166 T219 | L49-W133 HydrophobicContact CD1-CE3 3.96Å; L49-W133 HydrophobicContact CD1-CZ3 3.72Å; L49-W133 HydrophobicContact CD2-CE3 4.13Å; L49-W133 HydrophobicContact CD2-CZ3 3.76Å; L49-W133 HydrophobicContact CG-CE3 4.21Å; L49-W133 HydrophobicContact CG-CH2 4.46Å; L49-W133 HydrophobicContact CG-CZ3 3.59Å; L66-W133 PolarHBondContact O-N 3.15Å; C68-W133 WeakPolarHBondContact CB-O 3.42Å; C68-W133 PolarHBondContact N-O 3.21Å; I75-W133 HydrophobicContact CG2-CG 4.19Å; L79-W133 HydrophobicContact CD2-CD2 4.11Å; L79-W133 HydrophobicContact CD2-CE3 4.23Å; L79-W133 HydrophobicContact CD2-CH2 3.98Å; L79-W133 HydrophobicContact CD2-CZ2 3.81Å; L79-W133 HydrophobicContact CD2-CZ3 4.16Å; L80-W133 HydrophobicContact CD1-CB 4.3Å; L80-W133 HydrophobicContact CD2-CB 4.34Å; V131-W133 HydrophobicContact CG1-CB 4.45Å; V131-W133 HydrophobicContact CG1-CE3 4.46Å; W133-V164 HydrophobicContact CD2-CB 4.35Å; W133-V164 HydrophobicContact CD2-CG1 4.4Å; W133-V164 HydrophobicContact CE3-CB 3.59Å; W133-V164 HydrophobicContact CE3-CG1 3.7Å; W133-V164 HydrophobicContact CE3-CG2 4.07Å; W133-V164 HydrophobicContact CH2-CG1 3.75Å; W133-V164 HydrophobicContact CZ2-CG1 4.44Å; W133-V164 HydrophobicContact CZ3-CB 3.71Å; W133-V164 HydrophobicContact CZ3-CG1 3.33Å; W133-V164 HydrophobicContact CZ3-CG2 4.02Å; W133-K166 HydrophobicContact CZ2-CB 4.14Å; W133-K166 HydrophobicContact CZ2-CD 4.06Å; W133-T219 HydrophobicContact CH2-CG2 4.4Å |
| 134 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 106.4 | -175.7 | -50.2 | 170.1 | 0 | 0 | 0 | 106.9 | C68 I132 V137 I138 F149 L150 V163 V164 I165 K166 | C68-I134 HydrophobicContact CB-CB 4.37Å; C68-I134 HydrophobicContact CB-CG1 3.96Å; C68-I134 HydrophobicContact CB-CG2 4.36Å; I132-I134 HydrophobicContact CG2-CD1 4.33Å; I132-I134 HydrophobicContact CG2-CG1 4.08Å; I134-V137 HydrophobicContact CG2-CG1 3.43Å; I134-V137 VanDerWaalsContact CG2-CG1 3.43Å; I134-I138 HydrophobicContact CG2-CG2 3.68Å; I134-F149 HydrophobicContact CD1-CD1 4.42Å; I134-F149 HydrophobicContact CD1-CE1 3.82Å; I134-F149 HydrophobicContact CG1-CE1 4.33Å; I134-L150 HydrophobicContact CD1-CD2 3.88Å; I134-V163 HydrophobicContact CD1-CG1 3.59Å; I134-V163 HydrophobicContact CG1-CG1 4.38Å; I134-V164 PolarHBondContact N-O 2.97Å; I134-I165 HydrophobicContact CB-CG1 4.28Å; I134-I165 HydrophobicContact CD1-CG1 4.3Å; I134-I165 CarbonylContact O-C 3.51Å; I134-I165 VanDerWaalsContact O-CA 3.3Å; I134-I165 WeakPolarHBondContact O-CA 3.43Å; I134-K166 PolarHBondContact O-N 2.69Å |
| 135 | Q | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.9 | -174.4 | 172 | 163.4 | 2.3 | 0 | 0 | 112.8 | D41 I75 V137 K166 | D41-Q135 VanDerWaalsContact CG-NE2 3.33Å; D41-Q135 PolarHBondContact OD1-NE2 3.31Å; D41-Q135 PolarHBondContact OD2-NE2 3.05Å; I75-Q135 VanDerWaalsContact CD1-OE1 3.23Å; Q135-V137 VanDerWaalsContact C-N 3.29Å; Q135-V137 PolarHBondContact O-N 2.75Å; Q135-K166 WeakPolarHBondContact CA-O 3.42Å; Q135-K166 HydrophobicContact CB-CB 4.24Å; Q135-K166 HydrophobicContact CG-CB 4.18Å; Q135-K166 WeakPolarHBondContact CG-O 3.13Å |
| 136 | W | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 23.3 Ų | 23.3 | 21% | 0.205 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 48.9 | 49.4 | -179 | -66 | -49.5 | 0 | 0 | 0 | 113.2 | L31 D41 R74 K166 D167 N168 F210 V217 | L31-W136 HydrophobicContact CD2-CE3 3.82Å; L31-W136 HydrophobicContact CD2-CH2 3.67Å; L31-W136 HydrophobicContact CD2-CZ3 3.13Å; D41-W136 HydrophobicContact CB-CH2 4.36Å; R74-W136 VanDerWaalsContact NH2-CZ3 3.28Å; W136-K166 PolarHBondContact N-O 3.45Å; W136-K166 VanDerWaalsContact N-O 3.09Å; W136-D167 VanDerWaalsContact CA-OD2 3.24Å; W136-D167 WeakPolarHBondContact CA-OD2 3.25Å; W136-D167 PolarHBondContact N-OD2 3.4Å; W136-N168 PolarHBondContact NE1-OD1 3.34Å; W136-F210 HydrophobicContact CZ2-CE2 4.13Å; W136-F210 HydrophobicContact CZ2-CZ 4.44Å; W136-V217 HydrophobicContact CZ2-CG2 4.47Å |
| 137 | V | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 19.1 Ų | 19.1 | 12% | 0.115 | 10% | 0.099 | C | C | . | . | trans | -148 | -14.5 | -179.3 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | L119 I134 Q135 G139 H140 D167 | L119-V137 HydrophobicContact CD1-CB 4.45Å; L119-V137 HydrophobicContact CD1-CG1 3.73Å; L119-V137 HydrophobicContact CD1-CG2 3.82Å; I134-V137 HydrophobicContact CG2-CG1 3.43Å; I134-V137 VanDerWaalsContact CG2-CG1 3.43Å; Q135-V137 VanDerWaalsContact C-N 3.29Å; Q135-V137 PolarHBondContact O-N 2.75Å; V137-G139 PolarHBondContact O-N 3.14Å; V137-H140 PolarHBondContact O-N 2.74Å; V137-D167 PolarHBondContact N-OD2 3.17Å | ||
| 138 | I | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -66.6 | -24.4 | -179.4 | 82.3 | -174.6 | 0 | 0 | 0 | 111.2 | I134 H140 L141 L146 I165 D167 M169 R185 V190 | I134-I138 HydrophobicContact CG2-CG2 3.68Å; I138-H140 PolarHBondContact O-N 3.21Å; I138-L141 PolarHBondContact O-N 2.83Å; I138-L146 HydrophobicContact CB-CD1 3.92Å; I138-L146 HydrophobicContact CB-CD2 3.99Å; I138-L146 HydrophobicContact CG1-CD2 4.43Å; I138-L146 HydrophobicContact CG2-CD1 4.06Å; I138-I165 HydrophobicContact CD1-CG2 3.78Å; I138-I165 HydrophobicContact CG2-CD1 4.22Å; I138-I165 HydrophobicContact CG2-CG1 4.28Å; I138-I165 HydrophobicContact CG2-CG2 4Å; I138-D167 HydrophobicContact CD1-CB 3.66Å; I138-D167 HydrophobicContact CG1-CB 3.95Å; I138-D167 WeakPolarHBondContact CG1-OD2 3.16Å; I138-D167 PolarHBondContact N-OD2 3.21Å; I138-M169 HydrophobicContact CD1-CE 4.35Å; I138-R185 PolarHBondContact O-NH1 3.04Å; I138-V190 HydrophobicContact CD1-CG2 4.3Å |
| 139 | G | 98.6 | Very high | 98.7 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 5% | 0.052 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -64.2 | -22.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F12 V137 L141 S182 V183 | F12-G139 WeakPolarHBondContact CZ-O 3.27Å; V137-G139 PolarHBondContact O-N 3.14Å; G139-L141 VanDerWaalsContact C-N 3.33Å; G139-S182 CarbonylContact O-C 3.57Å; G139-S182 WeakPolarHBondContact O-CA 3.41Å; G139-V183 WeakPolarHBondContact CA-O 3.3Å; G139-V183 WeakPolarHBondContact O-CG2 3.12Å; G139-V183 PolarHBondContact O-N 3.47Å |
| 140 | H | 98.6 | Very high | 98.7 | Very high | 26 Ų | 26 | 16.5 Ų | 16.5 | 12% | 0.12 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -90.2 | 8.2 | 176.9 | -65.5 | -63.5 | 0 | 0 | 0 | 113.6 | F12 Y13 W20 V137 I138 D180 S181 | F12-H140 WeakPolarHBondContact CE1-O 3.24Å; Y13-H140 WeakPolarHBondContact CE1-O 3.14Å; W20-H140 AromaticContact CE2-NE2 3.77Å; W20-H140 AromaticContact CZ2-NE2 3.91Å; W20-H140 AromaticContact NE1-CD2 3.89Å; W20-H140 AromaticContact NE1-CE1 3.35Å; W20-H140 PolarHBondContact NE1-CE1 3.35Å; W20-H140 AromaticContact NE1-NE2 3.03Å; W20-H140 PolarHBondContact NE1-NE2 2.75Å; V137-H140 PolarHBondContact O-N 2.74Å; I138-H140 PolarHBondContact O-N 3.21Å; H140-D180 PolarHBondContact CE1-O 2.8Å; H140-S181 PolarHBondContact ND1-O 2.86Å |
| 141 | L | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -113.4 | 141.6 | 172.8 | -66.6 | 179.3 | 0 | 0 | 0 | 109.9 | Y13 L119 Q120 I138 G139 H145 L146 F149 R185 | Y13-L141 HydrophobicContact CE1-CD2 4.12Å; L119-L141 HydrophobicContact CB-CD1 3.98Å; L119-L141 HydrophobicContact CB-CD2 4.13Å; L119-L141 HydrophobicContact CB-CG 4.48Å; Q120-L141 HydrophobicContact CB-CD2 3.95Å; I138-L141 PolarHBondContact O-N 2.83Å; G139-L141 VanDerWaalsContact C-N 3.33Å; L141-H145 HydrophobicContact CB-CB 4.43Å; L141-H145 HydrophobicContact CD2-CB 4.24Å; L141-L146 HydrophobicContact CB-CB 3.98Å; L141-L146 HydrophobicContact CD1-CB 4.34Å; L141-L146 HydrophobicContact CD1-CD1 4.11Å; L141-F149 HydrophobicContact CD1-CB 4.26Å; L141-F149 HydrophobicContact CD1-CD1 4.13Å; L141-F149 HydrophobicContact CD1-CG 4.41Å; L141-R185 PolarHBondContact O-NH2 3.18Å |
| 142 | T | 98.4 | Very high | 98.7 | Very high | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | trans | -63.5 | 160.1 | 165.6 | 68.3 | 0 | 0 | 0 | 0 | 110.3 | E9 F12 Y13 N144 H145 L146 | E9-T142 HydrophobicContact CG-CG2 3.9Å; E9-T142 WeakPolarHBondContact OE2-CG2 3.19Å; E9-T142 PolarHBondContact OE2-OG1 2.96Å; F12-T142 HydrophobicContact CD1-CG2 4.22Å; F12-T142 HydrophobicContact CE1-CG2 4.25Å; Y13-T142 HydrophobicContact CE2-CG2 4.19Å; Y13-T142 PolarHBondContact OH-N 3.37Å; T142-N144 PolarHBondContact O-N 3.47Å; T142-N144 VanDerWaalsContact O-N 3.17Å; T142-H145 PolarHBondContact O-N 2.81Å; T142-H145 PolarHBondContact OG1-N 3.46Å; T142-H145 PolarHBondContact OG1-ND1 2.83Å; T142-L146 WeakPolarHBondContact O-CB 3.37Å; T142-L146 PolarHBondContact O-N 2.77Å | ||
| 143 | D | 98.4 | Very high | 98.7 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55 | -38.8 | -179.2 | -71 | -13.7 | 0 | 0 | 0 | 112.2 | M1 T2 S147 R185 I193 R196 | M1-D143 WeakPolarHBondContact CA-OD2 3.48Å; T2-D143 WeakPolarHBondContact CG2-OD1 3.41Å; T2-D143 PolarHBondContact N-OD2 3.46Å; T2-D143 WeakPolarHBondContact OG1-CB 3.32Å; T2-D143 PolarHBondContact OG1-N 3.21Å; T2-D143 PolarHBondContact OG1-OD1 3.17Å; T2-D143 PolarHBondContact OG1-OD2 3.37Å; D143-S147 WeakPolarHBondContact O-CB 3.43Å; D143-S147 PolarHBondContact O-N 2.71Å; D143-R185 IonicContact OD1-CZ 3.35Å; D143-R185 VanDerWaalsContact OD1-CZ 3.25Å; D143-R185 IonicContact OD1-NE 3.22Å; D143-R185 PolarHBondContact OD1-NE 3.15Å; D143-R185 IonicContact OD1-NH2 2.69Å; D143-R185 PolarHBondContact OD1-NH2 3.02Å; D143-I193 HydrophobicContact CB-CD1 4.05Å; D143-I193 WeakPolarHBondContact OD1-CD1 3.47Å; D143-R196 PolarHBondContact O-NH2 3.14Å |
| 144 | N | 97.9 | Very high | 98.7 | Very high | 93 Ų | 93 | 28.4 Ų | 28.4 | 50% | 0.497 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -69.2 | -49.9 | 179.4 | -68 | -19.3 | 0 | 0 | 0 | 111.2 | T142 L146 S147 D148 R196 | T142-N144 PolarHBondContact O-N 3.47Å; T142-N144 VanDerWaalsContact O-N 3.17Å; N144-L146 VanDerWaalsContact C-N 3.34Å; N144-L146 PolarHBondContact O-N 3.4Å; N144-S147 WeakPolarHBondContact O-CB 3.4Å; N144-S147 PolarHBondContact O-N 2.81Å; N144-S147 VanDerWaalsContact O-N 3.15Å; N144-D148 PolarHBondContact O-N 2.88Å; N144-R196 PolarHBondContact OD1-NH1 3.48Å; N144-R196 PolarHBondContact OD1-NH2 3.23Å; N144-R196 VanDerWaalsContact OD1-NH2 3.14Å |
| 145 | H | 98.7 | Very high | 98.6 | Very high | 45 Ų | 45 | 31.1 Ų | 31.1 | 21% | 0.208 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 177.2 | -71.4 | 151 | 0 | 0 | 0 | 113 | E9 Y13 Q120 L141 T142 D148 F149 | E9-H145 IonicContact OE1-CE1 2.75Å; E9-H145 PolarHBondContact OE1-CE1 2.86Å; E9-H145 VanDerWaalsContact OE1-CE1 3.24Å; E9-H145 IonicContact OE2-CE1 3.25Å; E9-H145 IonicContact OE2-ND1 2.81Å; Y13-H145 AromaticContact CE2-ND1 3.62Å; Y13-H145 AromaticContact CZ-ND1 3.56Å; Y13-H145 PolarHBondContact OH-ND1 2.79Å; Q120-H145 HydrophobicContact CB-CB 3.93Å; L141-H145 HydrophobicContact CB-CB 4.43Å; L141-H145 HydrophobicContact CD2-CB 4.24Å; T142-H145 PolarHBondContact O-N 2.81Å; T142-H145 PolarHBondContact OG1-N 3.46Å; T142-H145 PolarHBondContact OG1-ND1 2.83Å; H145-D148 PolarHBondContact O-N 3.38Å; H145-F149 WeakPolarHBondContact O-CB 3.47Å; H145-F149 PolarHBondContact O-N 3.41Å |
| 146 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 172.7 | 179.9 | 57.8 | 0 | 0 | 0 | 111.1 | I138 L141 T142 N144 D148 L150 I193 | I138-L146 HydrophobicContact CB-CD1 3.92Å; I138-L146 HydrophobicContact CB-CD2 3.99Å; I138-L146 HydrophobicContact CG1-CD2 4.43Å; I138-L146 HydrophobicContact CG2-CD1 4.06Å; L141-L146 HydrophobicContact CB-CB 3.98Å; L141-L146 HydrophobicContact CD1-CB 4.34Å; L141-L146 HydrophobicContact CD1-CD1 4.11Å; T142-L146 WeakPolarHBondContact O-CB 3.37Å; T142-L146 PolarHBondContact O-N 2.77Å; N144-L146 VanDerWaalsContact C-N 3.34Å; N144-L146 PolarHBondContact O-N 3.4Å; L146-D148 VanDerWaalsContact C-N 3.34Å; L146-D148 PolarHBondContact O-N 2.81Å; L146-L150 HydrophobicContact CD1-CD1 4.22Å; L146-L150 HydrophobicContact CD1-CG 4.22Å; L146-L150 HydrophobicContact CG-CD1 4.28Å; L146-L150 WeakPolarHBondContact O-CB 3.29Å; L146-L150 VanDerWaalsContact O-CG 3.24Å; L146-L150 WeakPolarHBondContact O-CG 3.43Å; L146-L150 PolarHBondContact O-N 2.8Å; L146-I193 HydrophobicContact CB-CG2 4.27Å; L146-I193 HydrophobicContact CD2-CD1 4.13Å; L146-I193 HydrophobicContact CD2-CG2 3.97Å; L146-I193 HydrophobicContact CG-CG2 3.85Å |
| 147 | S | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 177.8 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | D143 N144 K151 R196 A197 | D143-S147 WeakPolarHBondContact O-CB 3.43Å; D143-S147 PolarHBondContact O-N 2.71Å; N144-S147 WeakPolarHBondContact O-CB 3.4Å; N144-S147 PolarHBondContact O-N 2.81Å; N144-S147 VanDerWaalsContact O-N 3.15Å; S147-K151 WeakPolarHBondContact O-CG 3.29Å; S147-K151 PolarHBondContact O-N 3.26Å; S147-R196 PolarHBondContact OG-NE 3.45Å; S147-A197 WeakPolarHBondContact O-CB 3.47Å |
| 148 | D | 98.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 32 Ų | 32 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -75.1 | -39 | -178.7 | -70.2 | -23 | 0 | 0 | 0 | 112 | N144 H145 L146 L150 K151 R152 | N144-D148 PolarHBondContact O-N 2.88Å; H145-D148 PolarHBondContact O-N 3.38Å; L146-D148 VanDerWaalsContact C-N 3.34Å; L146-D148 PolarHBondContact O-N 2.81Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.63Å; D148-K151 WeakPolarHBondContact O-CB 3.35Å; D148-K151 PolarHBondContact O-N 3.19Å; D148-K151 IonicContact OD1-NZ 2.73Å; D148-K151 PolarHBondContact OD1-NZ 2.89Å; D148-R152 WeakPolarHBondContact O-CG 3.37Å; D148-R152 PolarHBondContact O-N 3.32Å; D148-R152 VanDerWaalsContact O-N 3.07Å |
| 149 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -46 | 171.9 | 179.6 | -121.5 | 0 | 0 | 0 | 111.2 | C68 L119 F122 P124 I134 L141 H145 K151 R152 C153 | C68-F149 HydrophobicContact CB-CZ 4.44Å; L119-F149 HydrophobicContact CB-CD1 4.28Å; L119-F149 HydrophobicContact CB-CD2 4.31Å; L119-F149 HydrophobicContact CB-CE1 4.19Å; L119-F149 HydrophobicContact CB-CE2 4.25Å; L119-F149 HydrophobicContact CB-CG 4.33Å; L119-F149 HydrophobicContact CB-CZ 4.18Å; L119-F149 HydrophobicContact CD1-CD1 4.49Å; L119-F149 HydrophobicContact CD1-CE1 3.91Å; L119-F149 HydrophobicContact CD1-CZ 4.24Å; L119-F149 HydrophobicContact CD2-CE1 4.3Å; L119-F149 HydrophobicContact CD2-CE2 4.21Å; L119-F149 HydrophobicContact CD2-CZ 3.78Å; L119-F149 HydrophobicContact CG-CE1 4.37Å; L119-F149 HydrophobicContact CG-CZ 4.29Å; L119-F149 WeakPolarHBondContact O-CD2 3.32Å; F122-F149 HydrophobicContact CD1-CE2 4.03Å; P124-F149 HydrophobicContact CG-CE2 4.46Å; I134-F149 HydrophobicContact CD1-CD1 4.42Å; I134-F149 HydrophobicContact CD1-CE1 3.82Å; I134-F149 HydrophobicContact CG1-CE1 4.33Å; L141-F149 HydrophobicContact CD1-CB 4.26Å; L141-F149 HydrophobicContact CD1-CD1 4.13Å; L141-F149 HydrophobicContact CD1-CG 4.41Å; H145-F149 WeakPolarHBondContact O-CB 3.47Å; H145-F149 PolarHBondContact O-N 3.41Å; F149-K151 VanDerWaalsContact C-N 3.32Å; F149-K151 PolarHBondContact O-N 3.45Å; F149-R152 CarbonylContact O-C 3.59Å; F149-R152 WeakPolarHBondContact O-CA 3.48Å; F149-R152 WeakPolarHBondContact O-CB 3.41Å; F149-R152 PolarHBondContact O-N 3.04Å; F149-C153 WeakPolarHBondContact CZ-SG 3.14Å; F149-C153 PolarHBondContact O-N 3.16Å; F149-C153 PolarHBondContact O-SG 3.07Å |
| 150 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 176.7 | -74 | 177.4 | 0 | 0 | 0 | 113.3 | I134 L146 D148 R152 C153 R154 V163 I165 I193 I194 A197 L199 | I134-L150 HydrophobicContact CD1-CD2 3.88Å; L146-L150 HydrophobicContact CD1-CD1 4.22Å; L146-L150 HydrophobicContact CD1-CG 4.22Å; L146-L150 HydrophobicContact CG-CD1 4.28Å; L146-L150 WeakPolarHBondContact O-CB 3.29Å; L146-L150 VanDerWaalsContact O-CG 3.24Å; L146-L150 WeakPolarHBondContact O-CG 3.43Å; L146-L150 PolarHBondContact O-N 2.8Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.63Å; L150-R152 VanDerWaalsContact C-N 3.34Å; L150-C153 PolarHBondContact O-N 3.44Å; L150-R154 PolarHBondContact O-N 3Å; L150-V163 HydrophobicContact CD2-CG1 3.99Å; L150-I165 HydrophobicContact CD1-CD1 4.17Å; L150-I165 HydrophobicContact CD2-CD1 4.11Å; L150-I193 HydrophobicContact CD1-CG2 4.41Å; L150-I194 HydrophobicContact CD1-CG1 4.3Å; L150-A197 HydrophobicContact CB-CB 3.6Å; L150-A197 HydrophobicContact CD1-CB 4.37Å; L150-L199 HydrophobicContact CB-CD1 3.82Å; L150-L199 HydrophobicContact CD2-CD1 4.18Å; L150-L199 HydrophobicContact CG-CD1 4.39Å |
| 151 | K | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 38.2 Ų | 38.2 | 36% | 0.361 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.8 | -41 | 172.1 | -68.6 | 167.9 | -164.2 | 160.5 | 0 | 111.5 | S147 D148 F149 R154 A155 A197 | S147-K151 WeakPolarHBondContact O-CG 3.29Å; S147-K151 PolarHBondContact O-N 3.26Å; D148-K151 WeakPolarHBondContact O-CB 3.35Å; D148-K151 PolarHBondContact O-N 3.19Å; D148-K151 IonicContact OD1-NZ 2.73Å; D148-K151 PolarHBondContact OD1-NZ 2.89Å; F149-K151 VanDerWaalsContact C-N 3.32Å; F149-K151 PolarHBondContact O-N 3.45Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 3.2Å; K151-A155 PolarHBondContact O-N 3.16Å; K151-A197 HydrophobicContact CG-CB 4.11Å; K151-A197 WeakPolarHBondContact CG-O 3.45Å |
| 152 | R | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 38 Ų | 38 | 23% | 0.226 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.9 | -63 | -168.2 | -60.3 | -97.5 | 8.8 | 111.5 | L119 Q120 F122 S123 D148 F149 L150 R154 A155 G156 | L119-R152 PolarHBondContact O-NH2 3.14Å; Q120-R152 VanDerWaalsContact C-NH2 3.35Å; Q120-R152 PolarHBondContact O-NH2 3.38Å; F122-R152 VanDerWaalsContact O-CZ 3.31Å; F122-R152 PolarHBondContact O-NE 2.92Å; F122-R152 PolarHBondContact O-NH2 3.03Å; S123-R152 VanDerWaalsContact OG-CD 3.25Å; S123-R152 WeakPolarHBondContact OG-CD 3.5Å; D148-R152 WeakPolarHBondContact O-CG 3.37Å; D148-R152 PolarHBondContact O-N 3.32Å; D148-R152 VanDerWaalsContact O-N 3.07Å; F149-R152 CarbonylContact O-C 3.59Å; F149-R152 WeakPolarHBondContact O-CA 3.48Å; F149-R152 WeakPolarHBondContact O-CB 3.41Å; F149-R152 PolarHBondContact O-N 3.04Å; L150-R152 VanDerWaalsContact C-N 3.34Å; R152-R154 VanDerWaalsContact C-N 3.3Å; R152-R154 PolarHBondContact O-N 2.76Å; R152-A155 WeakPolarHBondContact O-CB 3.39Å; R152-A155 PolarHBondContact O-N 2.8Å; R152-A155 VanDerWaalsContact O-N 3.12Å; R152-G156 PolarHBondContact O-N 3.15Å |
| 153 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.4 | -43.8 | 172.5 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | I132 F149 L150 A155 G156 L157 V163 | I132-C153 HydrophobicContact CD1-CB 3.75Å; I132-C153 VanDerWaalsContact CD1-O 3.27Å; I132-C153 WeakPolarHBondContact CD1-O 3.28Å; I132-C153 HydrophobicContact CG2-CB 4.45Å; F149-C153 WeakPolarHBondContact CZ-SG 3.14Å; F149-C153 PolarHBondContact O-N 3.16Å; F149-C153 PolarHBondContact O-SG 3.07Å; L150-C153 PolarHBondContact O-N 3.44Å; C153-A155 VanDerWaalsContact C-N 3.29Å; C153-A155 PolarHBondContact O-N 2.95Å; C153-G156 WeakPolarHBondContact O-CA 3.45Å; C153-G156 PolarHBondContact O-N 3.05Å; C153-L157 PolarHBondContact O-N 3.38Å; C153-V163 HydrophobicContact CB-CG2 3.82Å |
| 154 | R | 98.5 | Very high | 98.6 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.5 | -42.4 | 176 | -168.8 | -177.3 | 66.3 | -179.2 | 0.2 | 112.2 | L150 K151 R152 G156 L157 G198 L199 | L150-R154 PolarHBondContact O-N 3Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 3.2Å; R152-R154 VanDerWaalsContact C-N 3.3Å; R152-R154 PolarHBondContact O-N 2.76Å; R154-G156 VanDerWaalsContact C-N 3.28Å; R154-G156 PolarHBondContact O-N 2.84Å; R154-L157 PolarHBondContact O-N 3.35Å; R154-G198 PolarHBondContact NH1-O 3.27Å; R154-L199 HydrophobicContact CB-CD2 3.93Å; R154-L199 HydrophobicContact CG-CD2 3.8Å |
| 155 | A | 98.2 | Very high | 98.7 | Very high | 59 Ų | 59 | 33 Ų | 33 | 49% | 0.488 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.5 | -29.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P126 N127 K151 R152 C153 L157 | P126-A155 VanDerWaalsContact CA-O 3.31Å; P126-A155 WeakPolarHBondContact CA-O 3.45Å; N127-A155 PolarHBondContact N-O 2.87Å; K151-A155 PolarHBondContact O-N 3.16Å; R152-A155 WeakPolarHBondContact O-CB 3.39Å; R152-A155 PolarHBondContact O-N 2.8Å; R152-A155 VanDerWaalsContact O-N 3.12Å; C153-A155 VanDerWaalsContact C-N 3.29Å; C153-A155 PolarHBondContact O-N 2.95Å; A155-L157 VanDerWaalsContact C-N 3.27Å; A155-L157 PolarHBondContact O-N 3.24Å |
| 156 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.7 | -10.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E125 S128 Y129 R152 C153 R154 | E125-G156 WeakPolarHBondContact O-CA 3.49Å; S128-G156 PolarHBondContact N-O 3.15Å; Y129-G156 PolarHBondContact N-O 2.88Å; R152-G156 PolarHBondContact O-N 3.15Å; C153-G156 WeakPolarHBondContact O-CA 3.45Å; C153-G156 PolarHBondContact O-N 3.05Å; R154-G156 VanDerWaalsContact C-N 3.28Å; R154-G156 PolarHBondContact O-N 2.84Å |
| 157 | L | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 138 | -177.9 | -66.1 | -180 | 0 | 0 | 0 | 112.6 | N127 Y129 I132 C153 R154 A155 V163 R223 | N127-L157 WeakPolarHBondContact CA-O 3.27Å; Y129-L157 WeakPolarHBondContact O-CA 3.12Å; I132-L157 HydrophobicContact CD1-CD2 3.91Å; I132-L157 HydrophobicContact CG1-CD2 4.05Å; C153-L157 PolarHBondContact O-N 3.38Å; R154-L157 PolarHBondContact O-N 3.35Å; A155-L157 VanDerWaalsContact C-N 3.27Å; A155-L157 PolarHBondContact O-N 3.24Å; L157-V163 HydrophobicContact CD1-CG2 4.15Å; L157-V163 HydrophobicContact CD2-CG2 4.15Å; L157-V163 HydrophobicContact CG-CG2 4.37Å; L157-R223 HydrophobicContact CD1-CB 4.27Å |
| 158 | R | 98.6 | Very high | 98.7 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 30% | 0.302 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 166.1 | 163.2 | -74.2 | 174.5 | 175.2 | -133 | -5.2 | 111.5 | N127 S128 Y129 D130 N160 G161 | N127-R158 WeakPolarHBondContact O-CG 3.44Å; N127-R158 VanDerWaalsContact OD1-CA 3.31Å; N127-R158 WeakPolarHBondContact OD1-CA 3.42Å; S128-R158 PolarHBondContact O-NE 3.22Å; Y129-R158 PolarHBondContact O-N 2.69Å; D130-R158 WeakPolarHBondContact OD1-CD 3.47Å; R158-N160 PolarHBondContact O-N 3.02Å; R158-G161 WeakPolarHBondContact O-CA 3.23Å; R158-G161 PolarHBondContact O-N 3.04Å |
| 159 | P | 97.8 | Very high | 98.7 | Very high | 101 Ų | 101 | 31 Ų | 31 | 66% | 0.656 | 16% | 0.157 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -50 | 131.6 | 168.5 | -27.4 | 34.9 | 0 | 0 | 0 | 111.5 | N127 G161 | N127-P159 WeakPolarHBondContact OD1-CD 3.19Å; P159-G161 PolarHBondContact O-N 3.1Å; P159-G161 VanDerWaalsContact O-N 3.16Å |
| 160 | N | 97.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 31.4 Ų | 31.4 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 61 | 11.2 | -173.9 | -55.5 | -29.4 | 0 | 0 | 0 | 115.6 | R59 T60 R158 | R59-N160 WeakPolarHBondContact O-CB 3.42Å; T60-N160 WeakPolarHBondContact CA-O 3.42Å; T60-N160 WeakPolarHBondContact CB-O 3.47Å; T60-N160 PolarHBondContact OG1-O 3.46Å; R158-N160 PolarHBondContact O-N 3.02Å |
| 161 | G | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 157.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D130 R158 P159 R223 | D130-G161 CarbonylContact O-C 3.58Å; D130-G161 WeakPolarHBondContact O-CA 3.37Å; R158-G161 WeakPolarHBondContact O-CA 3.23Å; R158-G161 PolarHBondContact O-N 3.04Å; P159-G161 PolarHBondContact O-N 3.1Å; P159-G161 VanDerWaalsContact O-N 3.16Å; G161-R223 WeakPolarHBondContact O-CB 3.4Å |
| 162 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.8 | 176.9 | 61 | 175 | 0 | 0 | 0 | 111.3 | L49 F52 T60 D130 V131 I132 V164 L202 M222 R223 | L49-I162 HydrophobicContact CD2-CD1 4.32Å; F52-I162 HydrophobicContact CB-CD1 3.9Å; F52-I162 HydrophobicContact CD1-CD1 4.13Å; F52-I162 HydrophobicContact CD2-CD1 3.87Å; F52-I162 HydrophobicContact CE2-CD1 4.47Å; F52-I162 HydrophobicContact CG-CD1 3.69Å; T60-I162 HydrophobicContact CG2-CG1 4.29Å; D130-I162 PolarHBondContact O-N 3.23Å; V131-I162 WeakPolarHBondContact CA-O 3.41Å; V131-I162 HydrophobicContact CG2-CD1 4.37Å; V131-I162 HydrophobicContact CG2-CG1 3.87Å; I132-I162 PolarHBondContact N-O 3.25Å; I162-V164 HydrophobicContact CD1-CG2 3.86Å; I162-V164 HydrophobicContact CG1-CG2 4.2Å; I162-L202 HydrophobicContact CG2-CD1 3.66Å; I162-M222 WeakPolarHBondContact CA-O 3.35Å; I162-R223 HydrophobicContact CG2-CB 4.5Å |
| 163 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.2 | 160.8 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | I132 I134 L150 C153 L157 M222 | I132-V163 HydrophobicContact CB-CG2 4.33Å; I132-V163 CarbonylContact O-C 3.45Å; I132-V163 WeakPolarHBondContact O-CA 3.06Å; I134-V163 HydrophobicContact CD1-CG1 3.59Å; I134-V163 HydrophobicContact CG1-CG1 4.38Å; L150-V163 HydrophobicContact CD2-CG1 3.99Å; C153-V163 HydrophobicContact CB-CG2 3.82Å; L157-V163 HydrophobicContact CD1-CG2 4.15Å; L157-V163 HydrophobicContact CD2-CG2 4.15Å; L157-V163 HydrophobicContact CG-CG2 4.37Å; V163-M222 HydrophobicContact CB-CG 3.81Å; V163-M222 HydrophobicContact CG1-CG 4.39Å; V163-M222 HydrophobicContact CG1-SD 4.49Å; V163-M222 PolarHBondContact N-O 2.99Å; V163-M222 PolarHBondContact O-N 2.8Å |
| 164 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.2 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | F48 L49 I132 W133 I134 I162 T219 F220 A221 | F48-V164 HydrophobicContact CE1-CG1 4.09Å; F48-V164 HydrophobicContact CE1-CG2 4.42Å; L49-V164 HydrophobicContact CD2-CG2 4.05Å; I132-V164 PolarHBondContact O-N 3.16Å; W133-V164 HydrophobicContact CD2-CB 4.35Å; W133-V164 HydrophobicContact CD2-CG1 4.4Å; W133-V164 HydrophobicContact CE3-CB 3.59Å; W133-V164 HydrophobicContact CE3-CG1 3.7Å; W133-V164 HydrophobicContact CE3-CG2 4.07Å; W133-V164 HydrophobicContact CH2-CG1 3.75Å; W133-V164 HydrophobicContact CZ2-CG1 4.44Å; W133-V164 HydrophobicContact CZ3-CB 3.71Å; W133-V164 HydrophobicContact CZ3-CG1 3.33Å; W133-V164 HydrophobicContact CZ3-CG2 4.02Å; I134-V164 PolarHBondContact N-O 2.97Å; I162-V164 HydrophobicContact CD1-CG2 3.86Å; I162-V164 HydrophobicContact CG1-CG2 4.2Å; V164-T219 HydrophobicContact CG1-CG2 3.58Å; V164-F220 CarbonylContact C-O 3.54Å; V164-F220 VanDerWaalsContact CA-O 3.23Å; V164-F220 WeakPolarHBondContact CA-O 3.3Å; V164-A221 HydrophobicContact CG2-CB 4.49Å |
| 165 | I | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.8 | 166.3 | -71.5 | 177 | 0 | 0 | 0 | 107.9 | I134 I138 L150 D167 T219 F220 M222 | I134-I165 HydrophobicContact CB-CG1 4.28Å; I134-I165 HydrophobicContact CD1-CG1 4.3Å; I134-I165 CarbonylContact O-C 3.51Å; I134-I165 VanDerWaalsContact O-CA 3.3Å; I134-I165 WeakPolarHBondContact O-CA 3.43Å; I138-I165 HydrophobicContact CD1-CG2 3.78Å; I138-I165 HydrophobicContact CG2-CD1 4.22Å; I138-I165 HydrophobicContact CG2-CG1 4.28Å; I138-I165 HydrophobicContact CG2-CG2 4Å; L150-I165 HydrophobicContact CD1-CD1 4.17Å; L150-I165 HydrophobicContact CD2-CD1 4.11Å; I165-D167 HydrophobicContact CG2-CB 4.18Å; I165-T219 CarbonylContact O-C 3.49Å; I165-T219 VanDerWaalsContact O-CA 3.28Å; I165-T219 WeakPolarHBondContact O-CA 3.49Å; I165-F220 HydrophobicContact CB-CB 4.48Å; I165-F220 HydrophobicContact CB-CD2 4.21Å; I165-F220 HydrophobicContact CG2-CD2 4.05Å; I165-F220 PolarHBondContact N-O 2.99Å; I165-F220 PolarHBondContact O-N 3.08Å; I165-M222 HydrophobicContact CB-CE 4.08Å; I165-M222 HydrophobicContact CD1-CE 3.85Å; I165-M222 HydrophobicContact CG1-CE 3.86Å |
| 166 | K | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 107.8 | 166.7 | -171.4 | 173.8 | -170.5 | -170 | 0 | 110 | D41 S45 W133 I134 Q135 W136 V217 Y218 T219 | D41-K166 PolarHBondContact O-NZ 2.92Å; D41-K166 WeakPolarHBondContact OD1-CE 3.48Å; D41-K166 IonicContact OD1-NZ 2.67Å; D41-K166 PolarHBondContact OD1-NZ 3.12Å; S45-K166 WeakPolarHBondContact OG-CD 3.45Å; S45-K166 PolarHBondContact OG-NZ 2.87Å; W133-K166 HydrophobicContact CZ2-CB 4.14Å; W133-K166 HydrophobicContact CZ2-CD 4.06Å; I134-K166 PolarHBondContact O-N 2.69Å; Q135-K166 WeakPolarHBondContact CA-O 3.42Å; Q135-K166 HydrophobicContact CB-CB 4.24Å; Q135-K166 HydrophobicContact CG-CB 4.18Å; Q135-K166 WeakPolarHBondContact CG-O 3.13Å; W136-K166 PolarHBondContact N-O 3.45Å; W136-K166 VanDerWaalsContact N-O 3.09Å; K166-V217 HydrophobicContact CG-CG1 3.84Å; K166-Y218 VanDerWaalsContact CA-O 3.28Å; K166-Y218 WeakPolarHBondContact CA-O 3.15Å; K166-T219 HydrophobicContact CB-CG2 4.28Å; K166-T219 WeakPolarHBondContact CD-OG1 3.49Å; K166-T219 WeakPolarHBondContact CE-OG1 3.32Å; K166-T219 HydrophobicContact CG-CG2 4.47Å; K166-T219 WeakPolarHBondContact CG-OG1 3.27Å |
| 167 | D | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 170 | -170.4 | -135.4 | -52.9 | 0 | 0 | 0 | 113.2 | W136 V137 I138 I165 M169 V217 Y218 | W136-D167 VanDerWaalsContact CA-OD2 3.24Å; W136-D167 WeakPolarHBondContact CA-OD2 3.25Å; W136-D167 PolarHBondContact N-OD2 3.4Å; V137-D167 PolarHBondContact N-OD2 3.17Å; I138-D167 HydrophobicContact CD1-CB 3.66Å; I138-D167 HydrophobicContact CG1-CB 3.95Å; I138-D167 WeakPolarHBondContact CG1-OD2 3.16Å; I138-D167 PolarHBondContact N-OD2 3.21Å; I165-D167 HydrophobicContact CG2-CB 4.18Å; D167-M169 HydrophobicContact CB-CE 3.87Å; D167-M169 WeakPolarHBondContact O-CE 3.18Å; D167-V217 WeakPolarHBondContact O-CA 3.46Å; D167-Y218 PolarHBondContact N-O 2.86Å; D167-Y218 PolarHBondContact O-N 3.31Å |
| 168 | N | 98.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.2 | 175.7 | -63.1 | -24.4 | 0 | 0 | 0 | 110.3 | W136 Y215 V217 | W136-N168 PolarHBondContact NE1-OD1 3.34Å; N168-Y215 HydrophobicContact CB-CG 4.48Å; N168-V217 WeakPolarHBondContact OD1-CG2 3.23Å |
| 169 | M | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.4 | 178.5 | -57.6 | -66.6 | 135.7 | 0 | 0 | 110.2 | I138 D167 C184 R185 L187 V190 H216 Y218 F220 | I138-M169 HydrophobicContact CD1-CE 4.35Å; D167-M169 HydrophobicContact CB-CE 3.87Å; D167-M169 WeakPolarHBondContact O-CE 3.18Å; M169-C184 VanDerWaalsContact C-SG 3.57Å; M169-R185 CarbonylContact C-O 3.58Å; M169-R185 VanDerWaalsContact CA-O 3.28Å; M169-R185 WeakPolarHBondContact CA-O 3.25Å; M169-L187 HydrophobicContact CB-CD2 4.25Å; M169-L187 HydrophobicContact CB-CG 4.5Å; M169-L187 HydrophobicContact CG-CD2 3.72Å; M169-L187 HydrophobicContact CG-CG 4.46Å; M169-L187 HydrophobicContact SD-CD2 3.89Å; M169-V190 HydrophobicContact CE-CG2 4.24Å; M169-V190 HydrophobicContact SD-CB 4.41Å; M169-V190 HydrophobicContact SD-CG2 3.85Å; M169-H216 PolarHBondContact N-O 3.27Å; M169-Y218 HydrophobicContact CB-CD2 3.99Å; M169-Y218 HydrophobicContact CB-CE2 4.49Å; M169-Y218 HydrophobicContact CG-CD2 3.53Å; M169-Y218 HydrophobicContact CG-CE2 4.43Å; M169-Y218 HydrophobicContact CG-CG 3.97Å; M169-F220 HydrophobicContact CE-CE2 3.57Å; M169-F220 HydrophobicContact CE-CZ 4.17Å; M169-F220 HydrophobicContact SD-CE2 4.09Å; M169-F220 HydrophobicContact SD-CZ 4.07Å |
| 170 | A | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 155.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I175 C184 R185 D186 | A170-I175 HydrophobicContact CB-CD1 3.75Å; A170-I175 HydrophobicContact CB-CG1 4.1Å; A170-C184 HydrophobicContact CB-CB 4.41Å; A170-C184 PolarHBondContact N-SG 3.04Å; A170-R185 PolarHBondContact N-O 3.02Å; A170-D186 WeakPolarHBondContact O-CA 3.27Å |
| 171 | Q | 95.6 | Very high | 97.4 | Very high | 196 Ų | 196 | 45 Ų | 45 | 92% | 0.916 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -67.3 | -40.2 | 173.6 | -176.1 | 176.3 | -7.4 | 0 | 0 | 111.4 | ||
| 172 | E | 96.1 | Very high | 97.4 | Very high | 165 Ų | 165 | 45.7 Ų | 45.7 | 77% | 0.771 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -152.7 | 138.2 | -179.9 | -174 | 173.6 | -171 | 0 | 0 | 110.6 | ||
| 173 | G | 95.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 46 Ų | 46 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 74.2 | -146.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D186 | G173-D186 WeakPolarHBondContact CA-OD2 3.42Å; G173-D186 PolarHBondContact N-OD2 3.4Å; G173-D186 PolarHBondContact O-N 2.78Å |
| 174 | V | 97.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.5 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | T2 V5 V183 C184 R185 V189 | T2-V174 HydrophobicContact CG2-CG1 4.34Å; V5-V174 HydrophobicContact CG2-CG1 3.9Å; V174-V183 HydrophobicContact CG1-CB 3.81Å; V174-V183 HydrophobicContact CG1-CG1 4.08Å; V174-V183 HydrophobicContact CG1-CG2 4.29Å; V174-C184 CarbonylContact C-O 3.38Å; V174-C184 WeakPolarHBondContact CA-O 3.43Å; V174-R185 HydrophobicContact CG1-CG 4.18Å; V174-R185 HydrophobicContact CG2-CG 4.25Å; V174-V189 HydrophobicContact CG2-CG1 4.16Å; V174-V189 HydrophobicContact CG2-CG2 4.13Å |
| 175 | I | 97.6 | Very high | 97.3 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.8 | -176.5 | -55.8 | 175.6 | 0 | 0 | 0 | 108 | A170 V183 C184 Y215 | A170-I175 HydrophobicContact CB-CD1 3.75Å; A170-I175 HydrophobicContact CB-CG1 4.1Å; I175-V183 CarbonylContact O-C 3.55Å; I175-V183 VanDerWaalsContact O-CA 3.23Å; I175-V183 WeakPolarHBondContact O-CA 3.31Å; I175-C184 HydrophobicContact CB-CB 4.44Å; I175-C184 PolarHBondContact N-O 3.14Å; I175-C184 PolarHBondContact O-N 3.47Å; I175-Y215 HydrophobicContact CD1-CE1 4.31Å |
| 176 | M | 97.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 48 Ų | 48 | 22% | 0.222 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137 | 174.8 | -176.4 | 66.4 | -171.3 | 0 | 0 | 110.3 | V5 V6 F12 D178 V183 | V5-M176 HydrophobicContact CB-CB 4.28Å; V5-M176 HydrophobicContact CG2-CB 4.49Å; V6-M176 HydrophobicContact CG2-SD 4.47Å; F12-M176 HydrophobicContact CD2-CE 3.95Å; F12-M176 HydrophobicContact CD2-SD 4.31Å; F12-M176 HydrophobicContact CE2-CE 4.24Å; F12-M176 HydrophobicContact CE2-SD 4.22Å; M176-D178 WeakPolarHBondContact CG-OD1 3.49Å; M176-V183 HydrophobicContact SD-CG1 3.78Å |
| 177 | D | 96 | Very high | 97.3 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 109.5 | 163.8 | -169.4 | -38.1 | 0 | 0 | 0 | 108.5 | V179 D180 S181 S182 | D177-V179 VanDerWaalsContact C-N 3.27Å; D177-V179 PolarHBondContact O-N 3.19Å; D177-V179 WeakPolarHBondContact OD1-CA 3.33Å; D177-V179 VanDerWaalsContact OD1-CB 3.23Å; D177-V179 WeakPolarHBondContact OD1-CB 3.38Å; D177-V179 PolarHBondContact OD1-N 2.83Å; D177-D180 PolarHBondContact OD1-N 2.81Å; D177-S181 WeakPolarHBondContact O-CA 3.5Å; D177-S181 PolarHBondContact O-N 3.42Å; D177-S182 PolarHBondContact N-O 3Å; D177-S182 PolarHBondContact O-N 3.24Å; D177-S182 VanDerWaalsContact O-N 3.14Å |
| 178 | D | 94.9 | Very high | 97.2 | Very high | 135 Ų | 135 | 53.2 Ų | 53.2 | 72% | 0.722 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.9 | -178.3 | -66.3 | -44.3 | 0 | 0 | 0 | 113.4 | M176 | M176-D178 WeakPolarHBondContact CG-OD1 3.49Š|
| 179 | V | 94.6 | Very high | 97.2 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 67% | 0.667 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -54 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | Y19 D177 | Y19-V179 HydrophobicContact CD2-CG1 4.49Å; Y19-V179 VanDerWaalsContact CD2-O 3.27Å; Y19-V179 WeakPolarHBondContact CD2-O 3.21Å; Y19-V179 HydrophobicContact CE2-CG1 3.99Å; D177-V179 VanDerWaalsContact C-N 3.27Å; D177-V179 PolarHBondContact O-N 3.19Å; D177-V179 WeakPolarHBondContact OD1-CA 3.33Å; D177-V179 VanDerWaalsContact OD1-CB 3.23Å; D177-V179 WeakPolarHBondContact OD1-CB 3.38Å; D177-V179 PolarHBondContact OD1-N 2.83Å |
| 180 | D | 95.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -1.1 | 178.7 | 74.2 | -0.5 | 0 | 0 | 0 | 113.5 | A16 Y19 H140 D177 S182 | A16-D180 WeakPolarHBondContact CA-O 3.5Å; A16-D180 WeakPolarHBondContact CB-O 3.36Å; Y19-D180 HydrophobicContact CD1-CB 3.63Å; Y19-D180 HydrophobicContact CD2-CB 4.16Å; Y19-D180 HydrophobicContact CE1-CB 3.55Å; Y19-D180 HydrophobicContact CE2-CB 4.08Å; Y19-D180 HydrophobicContact CG-CB 3.95Å; H140-D180 PolarHBondContact CE1-O 2.8Å; D177-D180 PolarHBondContact OD1-N 2.81Å; D180-S182 WeakPolarHBondContact OD1-CB 3.33Å; D180-S182 PolarHBondContact OD1-N 3.35Å; D180-S182 PolarHBondContact OD1-OG 2.82Å; D180-S182 PolarHBondContact OD2-OG 3.46Å |
| 181 | S | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 62.9 | -176.1 | -141.9 | 0 | 0 | 0 | 0 | 112 | F12 H140 D177 | F12-S181 WeakPolarHBondContact CE2-O 3.5Å; F12-S181 PolarHBondContact O-OG 3Å; H140-S181 PolarHBondContact ND1-O 2.86Å; D177-S181 WeakPolarHBondContact O-CA 3.5Å; D177-S181 PolarHBondContact O-N 3.42Å |
| 182 | S | 98.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 167.9 | 177.4 | 74.9 | 0 | 0 | 0 | 0 | 111.6 | G139 D177 D180 | G139-S182 CarbonylContact O-C 3.57Å; G139-S182 WeakPolarHBondContact O-CA 3.41Å; D177-S182 PolarHBondContact N-O 3Å; D177-S182 PolarHBondContact O-N 3.24Å; D177-S182 VanDerWaalsContact O-N 3.14Å; D180-S182 WeakPolarHBondContact OD1-CB 3.33Å; D180-S182 PolarHBondContact OD1-N 3.35Å; D180-S182 PolarHBondContact OD1-OG 2.82Å; D180-S182 PolarHBondContact OD2-OG 3.46Å |
| 183 | V | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.5 | 169.9 | -64 | 0 | 0 | 0 | 0 | 112 | T2 V5 V6 F12 G139 V174 I175 M176 R185 | T2-V183 HydrophobicContact CG2-CB 4.45Å; T2-V183 HydrophobicContact CG2-CG1 4.24Å; T2-V183 HydrophobicContact CG2-CG2 3.69Å; V5-V183 HydrophobicContact CG2-CG1 3.96Å; V6-V183 HydrophobicContact CG2-CG1 4.22Å; F12-V183 HydrophobicContact CE2-CG1 4.36Å; G139-V183 WeakPolarHBondContact CA-O 3.3Å; G139-V183 WeakPolarHBondContact O-CG2 3.12Å; G139-V183 PolarHBondContact O-N 3.47Å; V174-V183 HydrophobicContact CG1-CB 3.81Å; V174-V183 HydrophobicContact CG1-CG1 4.08Å; V174-V183 HydrophobicContact CG1-CG2 4.29Å; I175-V183 CarbonylContact O-C 3.55Å; I175-V183 VanDerWaalsContact O-CA 3.23Å; I175-V183 WeakPolarHBondContact O-CA 3.31Å; M176-V183 HydrophobicContact SD-CG1 3.78Å; V183-R185 HydrophobicContact CG2-CG 4.36Å |
| 184 | C | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.3 | 166.7 | -166.7 | 0 | 0 | 0 | 0 | 108.7 | M169 A170 V174 I175 | M169-C184 VanDerWaalsContact C-SG 3.57Å; A170-C184 HydrophobicContact CB-CB 4.41Å; A170-C184 PolarHBondContact N-SG 3.04Å; V174-C184 CarbonylContact C-O 3.38Å; V174-C184 WeakPolarHBondContact CA-O 3.43Å; I175-C184 HydrophobicContact CB-CB 4.44Å; I175-C184 PolarHBondContact N-O 3.14Å; I175-C184 PolarHBondContact O-N 3.47Å |
| 185 | R | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 147 | -175.8 | -65.3 | 176.9 | 177.8 | 90.9 | -7.2 | 110.5 | T2 I138 L141 D143 M169 A170 V174 V183 V189 V190 | T2-R185 VanDerWaalsContact CG2-NH2 3.26Å; I138-R185 PolarHBondContact O-NH1 3.04Å; L141-R185 PolarHBondContact O-NH2 3.18Å; D143-R185 IonicContact OD1-CZ 3.35Å; D143-R185 VanDerWaalsContact OD1-CZ 3.25Å; D143-R185 IonicContact OD1-NE 3.22Å; D143-R185 PolarHBondContact OD1-NE 3.15Å; D143-R185 IonicContact OD1-NH2 2.69Å; D143-R185 PolarHBondContact OD1-NH2 3.02Å; M169-R185 CarbonylContact C-O 3.58Å; M169-R185 VanDerWaalsContact CA-O 3.28Å; M169-R185 WeakPolarHBondContact CA-O 3.25Å; A170-R185 PolarHBondContact N-O 3.02Å; V174-R185 HydrophobicContact CG1-CG 4.18Å; V174-R185 HydrophobicContact CG2-CG 4.25Å; V183-R185 HydrophobicContact CG2-CG 4.36Å; R185-V189 HydrophobicContact CB-CB 4.3Å; R185-V189 HydrophobicContact CB-CG1 4.23Å; R185-V189 HydrophobicContact CG-CG1 4.16Å; R185-V190 HydrophobicContact CB-CG2 3.71Å |
| 186 | D | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 167.1 | 168.2 | 76.1 | 32.3 | 0 | 0 | 0 | 112.2 | A170 G173 D188 V189 V190 | A170-D186 WeakPolarHBondContact O-CA 3.27Å; G173-D186 WeakPolarHBondContact CA-OD2 3.42Å; G173-D186 PolarHBondContact N-OD2 3.4Å; G173-D186 PolarHBondContact O-N 2.78Å; D186-D188 VanDerWaalsContact C-N 3.28Å; D186-D188 PolarHBondContact O-N 3.35Å; D186-D188 WeakPolarHBondContact OD1-CA 3.43Å; D186-D188 PolarHBondContact OD1-N 3.19Å; D186-V189 PolarHBondContact O-N 3.48Å; D186-V189 WeakPolarHBondContact OD1-CG2 3.37Å; D186-V189 PolarHBondContact OD1-N 2.93Å; D186-V190 WeakPolarHBondContact O-CG2 3.48Å; D186-V190 PolarHBondContact O-N 3.25Å; D186-V190 VanDerWaalsContact O-N 3.15Å |
| 187 | L | 98.5 | Very high | 97.8 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -37.2 | -179.4 | -69.1 | 173.6 | 0 | 0 | 0 | 113 | M169 V190 R191 Y218 F220 | M169-L187 HydrophobicContact CB-CD2 4.25Å; M169-L187 HydrophobicContact CB-CG 4.5Å; M169-L187 HydrophobicContact CG-CD2 3.72Å; M169-L187 HydrophobicContact CG-CG 4.46Å; M169-L187 HydrophobicContact SD-CD2 3.89Å; L187-V190 PolarHBondContact O-N 3.03Å; L187-R191 WeakPolarHBondContact O-CB 3.33Å; L187-R191 WeakPolarHBondContact O-CD 3.48Å; L187-R191 WeakPolarHBondContact O-CG 3.41Å; L187-R191 PolarHBondContact O-N 3.05Å; L187-Y218 HydrophobicContact CD1-CE1 4Å; L187-Y218 HydrophobicContact CD1-CE2 4.22Å; L187-Y218 HydrophobicContact CD2-CD1 3.78Å; L187-Y218 HydrophobicContact CD2-CD2 3.89Å; L187-Y218 HydrophobicContact CD2-CE1 4.05Å; L187-Y218 HydrophobicContact CD2-CE2 4.14Å; L187-Y218 HydrophobicContact CD2-CG 3.69Å; L187-F220 HydrophobicContact CD2-CE1 4.21Å; L187-F220 HydrophobicContact CD2-CZ 3.64Å |
| 188 | D | 98.3 | Very high | 97.9 | Very high | 87 Ų | 87 | 46.8 Ų | 46.8 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -74.2 | -36.5 | -174.4 | -77.9 | -14.6 | 0 | 0 | 0 | 111.9 | D186 R191 K192 | D186-D188 VanDerWaalsContact C-N 3.28Å; D186-D188 PolarHBondContact O-N 3.35Å; D186-D188 WeakPolarHBondContact OD1-CA 3.43Å; D186-D188 PolarHBondContact OD1-N 3.19Å; D188-R191 IonicContact OD1-NH1 3.69Å; D188-R191 PolarHBondContact OD1-NH1 2.71Å; D188-K192 WeakPolarHBondContact O-CB 3.38Å; D188-K192 WeakPolarHBondContact O-CD 3.07Å; D188-K192 WeakPolarHBondContact O-CG 3.37Å; D188-K192 PolarHBondContact O-N 2.8Å |
| 189 | V | 98.4 | Very high | 98 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 13% | 0.127 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -50.3 | 171.3 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | V174 R185 D186 R191 K192 I193 | V174-V189 HydrophobicContact CG2-CG1 4.16Å; V174-V189 HydrophobicContact CG2-CG2 4.13Å; R185-V189 HydrophobicContact CB-CB 4.3Å; R185-V189 HydrophobicContact CB-CG1 4.23Å; R185-V189 HydrophobicContact CG-CG1 4.16Å; D186-V189 PolarHBondContact O-N 3.48Å; D186-V189 WeakPolarHBondContact OD1-CG2 3.37Å; D186-V189 PolarHBondContact OD1-N 2.93Å; V189-R191 PolarHBondContact O-N 2.89Å; V189-K192 WeakPolarHBondContact O-CB 3.43Å; V189-K192 PolarHBondContact O-N 3.24Å; V189-I193 HydrophobicContact CG1-CD1 3.99Å; V189-I193 WeakPolarHBondContact O-CG1 3.39Å; V189-I193 PolarHBondContact O-N 3.49Å |
| 190 | V | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 179.5 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | I138 M169 R185 D186 L187 K192 I193 I194 F220 | I138-V190 HydrophobicContact CD1-CG2 4.3Å; M169-V190 HydrophobicContact CE-CG2 4.24Å; M169-V190 HydrophobicContact SD-CB 4.41Å; M169-V190 HydrophobicContact SD-CG2 3.85Å; R185-V190 HydrophobicContact CB-CG2 3.71Å; D186-V190 WeakPolarHBondContact O-CG2 3.48Å; D186-V190 PolarHBondContact O-N 3.25Å; D186-V190 VanDerWaalsContact O-N 3.15Å; L187-V190 PolarHBondContact O-N 3.03Å; V190-K192 VanDerWaalsContact C-N 3.33Å; V190-K192 PolarHBondContact O-N 3.47Å; V190-I193 PolarHBondContact O-N 3.32Å; V190-I194 HydrophobicContact CG1-CD1 3.89Å; V190-I194 HydrophobicContact CG1-CG1 4.48Å; V190-I194 WeakPolarHBondContact O-CG1 3.14Å; V190-I194 PolarHBondContact O-N 2.88Å; V190-F220 HydrophobicContact CG1-CE2 4.16Å; V190-F220 HydrophobicContact CG1-CZ 4.19Å |
| 191 | R | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 176.7 | -70.8 | 166.6 | -174.4 | 148.4 | -2.6 | 112.5 | L187 D188 V189 I194 R195 E204 | L187-R191 WeakPolarHBondContact O-CB 3.33Å; L187-R191 WeakPolarHBondContact O-CD 3.48Å; L187-R191 WeakPolarHBondContact O-CG 3.41Å; L187-R191 PolarHBondContact O-N 3.05Å; D188-R191 IonicContact OD1-NH1 3.69Å; D188-R191 PolarHBondContact OD1-NH1 2.71Å; V189-R191 PolarHBondContact O-N 2.89Å; R191-I194 PolarHBondContact O-N 2.8Å; R191-R195 WeakPolarHBondContact O-CG 3.16Å; R191-R195 PolarHBondContact O-N 3.24Å; R191-E204 IonicContact CZ-OE1 3.45Å; R191-E204 IonicContact CZ-OE2 2.56Å; R191-E204 IonicContact NE-OE1 2.89Å; R191-E204 IonicContact NE-OE2 2.99Å; R191-E204 PolarHBondContact NE-OE2 3.45Å; R191-E204 VanDerWaalsContact NH2-CD 3.3Å; R191-E204 IonicContact NH2-OE1 3.14Å; R191-E204 PolarHBondContact NH2-OE1 3.36Å; R191-E204 IonicContact NH2-OE2 3.91Å; R191-E204 PolarHBondContact NH2-OE2 3.21Å; R191-E204 VanDerWaalsContact NH2-OE2 3.14Å |
| 192 | K | 98.4 | Very high | 98.3 | Very high | 130 Ų | 130 | 46.9 Ų | 46.9 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.1 | -42.8 | 175.5 | -78.1 | 167.3 | -175.2 | 169.1 | 0 | 111.4 | D188 V189 V190 R195 R196 | D188-K192 WeakPolarHBondContact O-CB 3.38Å; D188-K192 WeakPolarHBondContact O-CD 3.07Å; D188-K192 WeakPolarHBondContact O-CG 3.37Å; D188-K192 PolarHBondContact O-N 2.8Å; V189-K192 WeakPolarHBondContact O-CB 3.43Å; V189-K192 PolarHBondContact O-N 3.24Å; V190-K192 VanDerWaalsContact C-N 3.33Å; V190-K192 PolarHBondContact O-N 3.47Å; K192-R195 PolarHBondContact O-N 2.86Å; K192-R196 WeakPolarHBondContact O-CB 3.32Å; K192-R196 PolarHBondContact O-N 3.42Å |
| 193 | I | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 177.8 | -66.1 | 167.6 | 0 | 0 | 0 | 110.9 | D143 L146 L150 V189 V190 R195 R196 A197 | D143-I193 HydrophobicContact CB-CD1 4.05Å; D143-I193 WeakPolarHBondContact OD1-CD1 3.47Å; L146-I193 HydrophobicContact CB-CG2 4.27Å; L146-I193 HydrophobicContact CD2-CD1 4.13Å; L146-I193 HydrophobicContact CD2-CG2 3.97Å; L146-I193 HydrophobicContact CG-CG2 3.85Å; L150-I193 HydrophobicContact CD1-CG2 4.41Å; V189-I193 HydrophobicContact CG1-CD1 3.99Å; V189-I193 WeakPolarHBondContact O-CG1 3.39Å; V189-I193 PolarHBondContact O-N 3.49Å; V190-I193 PolarHBondContact O-N 3.32Å; I193-R195 PolarHBondContact O-N 3.36Å; I193-R196 WeakPolarHBondContact O-CB 3.37Å; I193-R196 PolarHBondContact O-N 3.36Å; I193-A197 PolarHBondContact O-N 3.38Å |
| 194 | I | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 175.5 | -68.6 | 168 | 0 | 0 | 0 | 110.7 | L150 V190 R191 R196 A197 G198 L199 F220 M222 | L150-I194 HydrophobicContact CD1-CG1 4.3Å; V190-I194 HydrophobicContact CG1-CD1 3.89Å; V190-I194 HydrophobicContact CG1-CG1 4.48Å; V190-I194 WeakPolarHBondContact O-CG1 3.14Å; V190-I194 PolarHBondContact O-N 2.88Å; R191-I194 PolarHBondContact O-N 2.8Å; I194-R196 VanDerWaalsContact C-N 3.35Å; I194-R196 PolarHBondContact O-N 2.92Å; I194-A197 WeakPolarHBondContact O-CB 3.23Å; I194-A197 PolarHBondContact O-N 3.05Å; I194-G198 PolarHBondContact O-N 3.3Å; I194-L199 HydrophobicContact CG2-CB 3.9Å; I194-L199 PolarHBondContact O-N 3.4Å; I194-F220 HydrophobicContact CD1-CB 4.43Å; I194-F220 HydrophobicContact CD1-CD1 4.41Å; I194-F220 HydrophobicContact CD1-CG 4.36Å; I194-M222 HydrophobicContact CB-SD 4.32Å; I194-M222 HydrophobicContact CD1-CE 3.62Å; I194-M222 HydrophobicContact CD1-SD 4Å; I194-M222 HydrophobicContact CG1-CE 4.05Å; I194-M222 HydrophobicContact CG1-SD 3.79Å; I194-M222 HydrophobicContact CG2-CB 4.41Å; I194-M222 HydrophobicContact CG2-SD 3.65Å |
| 195 | R | 98.2 | Very high | 98.3 | Very high | 157 Ų | 157 | 52.5 Ų | 52.5 | 59% | 0.592 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 177.3 | -70 | -178.9 | -137.9 | 129.5 | -0.2 | 112.2 | R191 K192 I193 A197 G198 | R191-R195 WeakPolarHBondContact O-CG 3.16Å; R191-R195 PolarHBondContact O-N 3.24Å; K192-R195 PolarHBondContact O-N 2.86Å; I193-R195 PolarHBondContact O-N 3.36Å; R195-A197 VanDerWaalsContact C-N 3.25Å; R195-A197 PolarHBondContact O-N 3.28Å; R195-G198 WeakPolarHBondContact O-CA 3.44Å; R195-G198 PolarHBondContact O-N 2.95Å |
| 196 | R | 97.8 | Very high | 98.3 | Very high | 112 Ų | 112 | 57 Ų | 57 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -30.9 | 176.8 | -173.3 | 174.4 | 72 | 170.5 | 4 | 112.5 | D143 N144 S147 K192 I193 I194 G198 | D143-R196 PolarHBondContact O-NH2 3.14Å; N144-R196 PolarHBondContact OD1-NH1 3.48Å; N144-R196 PolarHBondContact OD1-NH2 3.23Å; N144-R196 VanDerWaalsContact OD1-NH2 3.14Å; S147-R196 PolarHBondContact OG-NE 3.45Å; K192-R196 WeakPolarHBondContact O-CB 3.32Å; K192-R196 PolarHBondContact O-N 3.42Å; I193-R196 WeakPolarHBondContact O-CB 3.37Å; I193-R196 PolarHBondContact O-N 3.36Å; I194-R196 VanDerWaalsContact C-N 3.35Å; I194-R196 PolarHBondContact O-N 2.92Å; R196-G198 PolarHBondContact O-N 3.3Å |
| 197 | A | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -5.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S147 L150 K151 I193 I194 R195 L199 | S147-A197 WeakPolarHBondContact O-CB 3.47Å; L150-A197 HydrophobicContact CB-CB 3.6Å; L150-A197 HydrophobicContact CD1-CB 4.37Å; K151-A197 HydrophobicContact CG-CB 4.11Å; K151-A197 WeakPolarHBondContact CG-O 3.45Å; I193-A197 PolarHBondContact O-N 3.38Å; I194-A197 WeakPolarHBondContact O-CB 3.23Å; I194-A197 PolarHBondContact O-N 3.05Å; R195-A197 VanDerWaalsContact C-N 3.25Å; R195-A197 PolarHBondContact O-N 3.28Å; A197-L199 HydrophobicContact CB-CD1 4.28Å |
| 198 | G | 97.9 | Very high | 98.2 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 31.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | R154 I194 R195 R196 | R154-G198 PolarHBondContact NH1-O 3.27Å; I194-G198 PolarHBondContact O-N 3.3Å; R195-G198 WeakPolarHBondContact O-CA 3.44Å; R195-G198 PolarHBondContact O-N 2.95Å; R196-G198 PolarHBondContact O-N 3.3Å |
| 199 | L | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 142.6 | 173.4 | -73.2 | 164.8 | 0 | 0 | 0 | 109.7 | L150 R154 I194 A197 M222 R223 | L150-L199 HydrophobicContact CB-CD1 3.82Å; L150-L199 HydrophobicContact CD2-CD1 4.18Å; L150-L199 HydrophobicContact CG-CD1 4.39Å; R154-L199 HydrophobicContact CB-CD2 3.93Å; R154-L199 HydrophobicContact CG-CD2 3.8Å; I194-L199 HydrophobicContact CG2-CB 3.9Å; I194-L199 PolarHBondContact O-N 3.4Å; A197-L199 HydrophobicContact CB-CD1 4.28Å; L199-M222 HydrophobicContact CB-CB 4.18Å; L199-M222 HydrophobicContact CB-CG 4.12Å; L199-M222 HydrophobicContact CB-SD 4.24Å; L199-M222 HydrophobicContact CD1-CG 3.92Å; L199-M222 HydrophobicContact CD1-SD 3.69Å; L199-M222 HydrophobicContact CD2-CG 4.32Å; L199-M222 HydrophobicContact CG-CG 4.35Å; L199-R223 VanDerWaalsContact CD2-C 3.48Å; L199-R223 WeakPolarHBondContact CD2-OXT 3.25Å |
| 200 | H | 97.7 | Very high | 98.1 | Very high | 141 Ų | 141 | 62 Ų | 62 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -102.5 | 131 | 176.2 | -63.6 | -76.3 | 0 | 0 | 0 | 110.5 | L202 M222 R223 | H200-L202 PolarHBondContact O-N 3Å; H200-M222 WeakPolarHBondContact O-CA 3.42Å; H200-M222 WeakPolarHBondContact O-CB 3.4Å; H200-R223 PolarHBondContact N-O 2.97Å; H200-R223 PolarHBondContact O-N 3.08Å |
| 201 | L | 98.3 | Very high | 97.9 | Very high | 76 Ų | 76 | 63.4 Ų | 63.4 | 40% | 0.398 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.6 | 177.8 | -167.8 | 67.4 | 0 | 0 | 0 | 110.3 | A203 E204 F220 | L201-A203 WeakPolarHBondContact CD1-O 3.48Å; L201-E204 HydrophobicContact CD2-CB 4.2Å; L201-F220 HydrophobicContact CD1-CB 3.76Å; L201-F220 HydrophobicContact CD1-CD1 3.82Å; L201-F220 HydrophobicContact CD1-CG 4.28Å |
| 202 | L | 97.6 | Very high | 97.7 | Very high | 59 Ų | 59 | 68.5 Ų | 68.5 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -37.7 | 179.6 | -55.7 | 173.7 | 0 | 0 | 0 | 111.7 | F52 I162 H200 A221 R223 | F52-L202 HydrophobicContact CE1-CB 4.06Å; F52-L202 HydrophobicContact CE1-CD1 4.2Å; F52-L202 HydrophobicContact CZ-CB 4.47Å; I162-L202 HydrophobicContact CG2-CD1 3.66Å; H200-L202 PolarHBondContact O-N 3Å; L202-A221 HydrophobicContact CB-CB 4.28Å; L202-A221 WeakPolarHBondContact CB-O 3.09Å; L202-A221 PolarHBondContact N-O 3.48Å; L202-R223 HydrophobicContact CD1-CB 4.33Å; L202-R223 HydrophobicContact CD1-CG 3.99Å; L202-R223 HydrophobicContact CD2-CG 4.28Å; L202-R223 VanDerWaalsContact CD2-CZ 3.47Å; L202-R223 HydrophobicContact CG-CG 4.49Å |
| 203 | A | 98.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 68.9 Ų | 68.9 | 20% | 0.198 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 153.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | F48 F52 L201 F220 A221 | F48-A203 HydrophobicContact CE2-CB 4.04Å; F48-A203 HydrophobicContact CZ-CB 4.01Å; F52-A203 HydrophobicContact CZ-CB 3.79Å; L201-A203 WeakPolarHBondContact CD1-O 3.48Å; A203-F220 WeakPolarHBondContact O-CA 3.48Å; A203-A221 HydrophobicContact CB-CB 4.38Å; A203-A221 PolarHBondContact N-O 3.24Å; A203-A221 PolarHBondContact O-N 2.81Å |
| 204 | E | 98.6 | Very high | 97.3 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 131.7 | 174.9 | -170.6 | -178.3 | 113.3 | 0 | 0 | 107.9 | R191 L201 Y218 T219 F220 | R191-E204 IonicContact CZ-OE1 3.45Å; R191-E204 IonicContact CZ-OE2 2.56Å; R191-E204 IonicContact NE-OE1 2.89Å; R191-E204 IonicContact NE-OE2 2.99Å; R191-E204 PolarHBondContact NE-OE2 3.45Å; R191-E204 VanDerWaalsContact NH2-CD 3.3Å; R191-E204 IonicContact NH2-OE1 3.14Å; R191-E204 PolarHBondContact NH2-OE1 3.36Å; R191-E204 IonicContact NH2-OE2 3.91Å; R191-E204 PolarHBondContact NH2-OE2 3.21Å; R191-E204 VanDerWaalsContact NH2-OE2 3.14Å; L201-E204 HydrophobicContact CD2-CB 4.2Å; E204-Y218 HydrophobicContact CG-CD1 4.1Å; E204-T219 CarbonylContact C-O 3.57Å; E204-T219 VanDerWaalsContact CA-O 3.3Å; E204-T219 WeakPolarHBondContact CA-O 3.5Å; E204-F220 HydrophobicContact CB-CD1 4.35Å; E204-F220 HydrophobicContact CG-CD1 3.72Å; E204-F220 HydrophobicContact CG-CE1 3.62Å; E204-F220 HydrophobicContact CG-CZ 4.47Å; E204-F220 WeakPolarHBondContact OE2-CE1 3.46Å |
| 205 | E | 98.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 75 Ų | 75 | 29% | 0.29 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 129.6 | 179.8 | -173.3 | 172 | 141.2 | 0 | 0 | 110.8 | F48 K51 Y218 T219 | F48-E205 HydrophobicContact CD2-CB 3.92Å; F48-E205 HydrophobicContact CE2-CB 3.92Å; K51-E205 IonicContact NZ-OE2 2.77Å; K51-E205 PolarHBondContact NZ-OE2 3.37Å; E205-Y218 WeakPolarHBondContact O-CA 3.24Å; E205-T219 PolarHBondContact N-O 2.91Å; E205-T219 PolarHBondContact O-N 3.08Å |
| 206 | R | 98.5 | Very high | 97.1 | Very high | 98 Ų | 98 | 71.8 Ų | 71.8 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.6 | 170.7 | -177 | 179.8 | 170 | 165.4 | -4.1 | 109.8 | E208 H216 Y218 | R206-E208 PolarHBondContact O-N 3.22Å; R206-H216 PolarHBondContact NH2-CE1 3.09Å; R206-H216 PolarHBondContact NH2-ND1 3.34Å; R206-H216 VanDerWaalsContact NH2-ND1 3.2Å; R206-H216 PolarHBondContact NH2-NE2 3.26Å; R206-H216 VanDerWaalsContact NH2-NE2 3.16Å; R206-Y218 HydrophobicContact CB-CD1 4.21Å; R206-Y218 HydrophobicContact CB-CE1 3.77Å; R206-Y218 HydrophobicContact CB-CE2 4.29Å; R206-Y218 HydrophobicContact CG-CE1 4.39Å; R206-Y218 HydrophobicContact CG-CE2 4.01Å |
| 207 | Q | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 124.6 | 170.4 | 175.9 | 66 | 61.5 | 0 | 0 | 110 | S44 F210 V217 | S44-Q207 PolarHBondContact OG-NE2 3.27Å; Q207-F210 HydrophobicContact CG-CD1 3.61Å; Q207-F210 HydrophobicContact CG-CD2 3.75Å; Q207-F210 HydrophobicContact CG-CE1 3.55Å; Q207-F210 HydrophobicContact CG-CE2 3.7Å; Q207-F210 HydrophobicContact CG-CG 3.72Å; Q207-F210 HydrophobicContact CG-CZ 3.6Å; Q207-V217 HydrophobicContact CB-CB 3.87Å; Q207-V217 HydrophobicContact CB-CG1 4.18Å; Q207-V217 WeakPolarHBondContact CB-O 3.46Å; Q207-V217 HydrophobicContact CG-CB 4.48Å; Q207-V217 PolarHBondContact N-O 3.37Å |
| 208 | E | 97 | Very high | 97.2 | Very high | 105 Ų | 105 | 68.2 Ų | 68.2 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -97 | 159.8 | 176.1 | -61.4 | -58.4 | 144.1 | 0 | 0 | 111.7 | R206 F210 | R206-E208 PolarHBondContact O-N 3.22Å; E208-F210 VanDerWaalsContact C-N 3.31Å; E208-F210 PolarHBondContact O-N 3.32Å |
| 209 | N | 96.5 | Very high | 97.3 | Very high | 131 Ų | 131 | 67.1 Ų | 67.1 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 61.8 | 32.8 | 175 | -42.6 | -75 | 0 | 0 | 0 | 114.4 | I40 | I40-N209 HydrophobicContact CG2-CB 4.37Š|
| 210 | F | 96.7 | Very high | 97.3 | Very high | 26 Ų | 26 | 67 Ų | 67 | 11% | 0.114 | 32% | 0.324 | C | S | . | . | trans | -91.7 | 158.3 | 164.1 | -88.5 | 17.6 | 0 | 0 | 0 | 110 | I37 I40 D41 W136 Q207 E208 I214 V217 | I37-F210 HydrophobicContact CB-CD1 4.49Å; I37-F210 HydrophobicContact CB-CE1 4.18Å; I37-F210 HydrophobicContact CD1-CD2 4.16Å; I37-F210 HydrophobicContact CD1-CE1 4.16Å; I37-F210 HydrophobicContact CD1-CE2 3.75Å; I37-F210 HydrophobicContact CD1-CZ 3.75Å; I37-F210 HydrophobicContact CG1-CE1 4.28Å; I37-F210 HydrophobicContact CG1-CZ 4.15Å; I40-F210 HydrophobicContact CB-CE1 4.16Å; I40-F210 HydrophobicContact CG2-CD1 3.99Å; I40-F210 HydrophobicContact CG2-CE1 3.89Å; D41-F210 HydrophobicContact CB-CE1 4.34Å; D41-F210 HydrophobicContact CB-CZ 3.97Å; W136-F210 HydrophobicContact CZ2-CE2 4.13Å; W136-F210 HydrophobicContact CZ2-CZ 4.44Å; Q207-F210 HydrophobicContact CG-CD1 3.61Å; Q207-F210 HydrophobicContact CG-CD2 3.75Å; Q207-F210 HydrophobicContact CG-CE1 3.55Å; Q207-F210 HydrophobicContact CG-CE2 3.7Å; Q207-F210 HydrophobicContact CG-CG 3.72Å; Q207-F210 HydrophobicContact CG-CZ 3.6Å; E208-F210 VanDerWaalsContact C-N 3.31Å; E208-F210 PolarHBondContact O-N 3.32Å; F210-I214 HydrophobicContact CB-CD1 4.04Å; F210-I214 HydrophobicContact CB-CG1 4.43Å; F210-I214 HydrophobicContact CD2-CD1 3.57Å; F210-I214 HydrophobicContact CE2-CD1 4.33Å; F210-I214 HydrophobicContact CG-CD1 4.1Å; F210-V217 HydrophobicContact CD2-CB 4.39Å; F210-V217 HydrophobicContact CD2-CG2 4.02Å; F210-V217 HydrophobicContact CE2-CB 4.18Å; F210-V217 HydrophobicContact CE2-CG2 3.83Å | ||
| 211 | P | 96.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | trans | -54.7 | 147 | 174.1 | -22.1 | 32.4 | 0 | 0 | 0 | 112 | Y34 I37 E213 I214 | Y34-P211 HydrophobicContact CD1-CG 4.48Å; I37-P211 HydrophobicContact CG2-CG 4.1Å; P211-E213 HydrophobicContact CB-CG 4.35Å; P211-E213 WeakPolarHBondContact CB-OE1 3.4Å; P211-E213 WeakPolarHBondContact CB-OE2 3.49Å; P211-E213 PolarHBondContact O-N 3.35Å; P211-I214 WeakPolarHBondContact O-CG1 3.38Å | ||
| 212 | D | 93.4 | Very high | 97.4 | Very high | 164 Ų | 164 | 56.6 Ų | 56.6 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.2 | -174.3 | -69.5 | -30.8 | 0 | 0 | 0 | 112.4 | ||
| 213 | E | 93.8 | Very high | 97.2 | Very high | 138 Ų | 138 | 58.6 Ų | 58.6 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.2 | -176.3 | 66.9 | -87.9 | -158.1 | 0 | 0 | 114.8 | P211 | P211-E213 HydrophobicContact CB-CG 4.35Å; P211-E213 WeakPolarHBondContact CB-OE1 3.4Å; P211-E213 WeakPolarHBondContact CB-OE2 3.49Å; P211-E213 PolarHBondContact O-N 3.35Å |
| 214 | I | 94.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 17% | 0.169 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -99.3 | 158.1 | 179.9 | 64.3 | 168.8 | 0 | 0 | 0 | 112.2 | Y34 I37 F210 P211 | Y34-I214 HydrophobicContact CD1-CG2 4.24Å; Y34-I214 HydrophobicContact CE1-CG2 3.54Å; Y34-I214 HydrophobicContact CE2-CG2 4.04Å; Y34-I214 VanDerWaalsContact CZ-CG2 3.42Å; Y34-I214 WeakPolarHBondContact OH-CG2 3.46Å; I37-I214 HydrophobicContact CD1-CD1 4.13Å; F210-I214 HydrophobicContact CB-CD1 4.04Å; F210-I214 HydrophobicContact CB-CG1 4.43Å; F210-I214 HydrophobicContact CD2-CD1 3.57Å; F210-I214 HydrophobicContact CE2-CD1 4.33Å; F210-I214 HydrophobicContact CG-CD1 4.1Å; P211-I214 WeakPolarHBondContact O-CG1 3.38Å |
| 215 | Y | 96.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 59.9 Ų | 59.9 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 145.9 | 173.2 | -71.4 | -70.3 | 0 | 0 | 0 | 111.5 | N168 I175 V217 | N168-Y215 HydrophobicContact CB-CG 4.48Å; I175-Y215 HydrophobicContact CD1-CE1 4.31Å; Y215-V217 PolarHBondContact O-N 3.06Å |
| 216 | H | 98 | Very high | 97 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 133.3 | 171 | -63.7 | -16.4 | 0 | 0 | 0 | 109.7 | M169 R206 Y218 | M169-H216 PolarHBondContact N-O 3.27Å; R206-H216 PolarHBondContact NH2-CE1 3.09Å; R206-H216 PolarHBondContact NH2-ND1 3.34Å; R206-H216 VanDerWaalsContact NH2-ND1 3.2Å; R206-H216 PolarHBondContact NH2-NE2 3.26Å; R206-H216 VanDerWaalsContact NH2-NE2 3.16Å; H216-Y218 HydrophobicContact CB-CD2 4.35Å; H216-Y218 HydrophobicContact CB-CE2 3.92Å |
| 217 | V | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133 | 177 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | W136 K166 D167 N168 Q207 F210 Y215 | W136-V217 HydrophobicContact CZ2-CG2 4.47Å; K166-V217 HydrophobicContact CG-CG1 3.84Å; D167-V217 WeakPolarHBondContact O-CA 3.46Å; N168-V217 WeakPolarHBondContact OD1-CG2 3.23Å; Q207-V217 HydrophobicContact CB-CB 3.87Å; Q207-V217 HydrophobicContact CB-CG1 4.18Å; Q207-V217 WeakPolarHBondContact CB-O 3.46Å; Q207-V217 HydrophobicContact CG-CB 4.48Å; Q207-V217 PolarHBondContact N-O 3.37Å; F210-V217 HydrophobicContact CD2-CB 4.39Å; F210-V217 HydrophobicContact CD2-CG2 4.02Å; F210-V217 HydrophobicContact CE2-CB 4.18Å; F210-V217 HydrophobicContact CE2-CG2 3.83Å; Y215-V217 PolarHBondContact O-N 3.06Å |
| 218 | Y | 98.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145 | 177.6 | -81.3 | -106.3 | 0 | 0 | 0 | 111.3 | K166 D167 M169 L187 E204 E205 R206 H216 F220 | K166-Y218 VanDerWaalsContact CA-O 3.28Å; K166-Y218 WeakPolarHBondContact CA-O 3.15Å; D167-Y218 PolarHBondContact N-O 2.86Å; D167-Y218 PolarHBondContact O-N 3.31Å; M169-Y218 HydrophobicContact CB-CD2 3.99Å; M169-Y218 HydrophobicContact CB-CE2 4.49Å; M169-Y218 HydrophobicContact CG-CD2 3.53Å; M169-Y218 HydrophobicContact CG-CE2 4.43Å; M169-Y218 HydrophobicContact CG-CG 3.97Å; L187-Y218 HydrophobicContact CD1-CE1 4Å; L187-Y218 HydrophobicContact CD1-CE2 4.22Å; L187-Y218 HydrophobicContact CD2-CD1 3.78Å; L187-Y218 HydrophobicContact CD2-CD2 3.89Å; L187-Y218 HydrophobicContact CD2-CE1 4.05Å; L187-Y218 HydrophobicContact CD2-CE2 4.14Å; L187-Y218 HydrophobicContact CD2-CG 3.69Å; E204-Y218 HydrophobicContact CG-CD1 4.1Å; E205-Y218 WeakPolarHBondContact O-CA 3.24Å; R206-Y218 HydrophobicContact CB-CD1 4.21Å; R206-Y218 HydrophobicContact CB-CE1 3.77Å; R206-Y218 HydrophobicContact CB-CE2 4.29Å; R206-Y218 HydrophobicContact CG-CE1 4.39Å; R206-Y218 HydrophobicContact CG-CE2 4.01Å; H216-Y218 HydrophobicContact CB-CD2 4.35Å; H216-Y218 HydrophobicContact CB-CE2 3.92Å; Y218-F220 HydrophobicContact CG-CZ 4.47Å |
| 219 | T | 98.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.1 | 173.7 | -46.4 | 0 | 0 | 0 | 0 | 109.7 | F48 W133 V164 I165 K166 E204 E205 | F48-T219 HydrophobicContact CD1-CG2 3.58Å; F48-T219 HydrophobicContact CD2-CG2 4.1Å; F48-T219 HydrophobicContact CE1-CG2 3.49Å; F48-T219 VanDerWaalsContact CE1-CG2 3.49Å; F48-T219 HydrophobicContact CE2-CG2 4.03Å; F48-T219 HydrophobicContact CG-CG2 3.89Å; F48-T219 HydrophobicContact CZ-CG2 3.74Å; W133-T219 HydrophobicContact CH2-CG2 4.4Å; V164-T219 HydrophobicContact CG1-CG2 3.58Å; I165-T219 CarbonylContact O-C 3.49Å; I165-T219 VanDerWaalsContact O-CA 3.28Å; I165-T219 WeakPolarHBondContact O-CA 3.49Å; K166-T219 HydrophobicContact CB-CG2 4.28Å; K166-T219 WeakPolarHBondContact CD-OG1 3.49Å; K166-T219 WeakPolarHBondContact CE-OG1 3.32Å; K166-T219 HydrophobicContact CG-CG2 4.47Å; K166-T219 WeakPolarHBondContact CG-OG1 3.27Å; E204-T219 CarbonylContact C-O 3.57Å; E204-T219 VanDerWaalsContact CA-O 3.3Å; E204-T219 WeakPolarHBondContact CA-O 3.5Å; E205-T219 PolarHBondContact N-O 2.91Å; E205-T219 PolarHBondContact O-N 3.08Å |
| 220 | F | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.3 | 178.5 | -53.2 | -95.2 | 0 | 0 | 0 | 109.4 | V164 I165 M169 L187 V190 I194 L201 A203 E204 Y218 M222 | V164-F220 CarbonylContact C-O 3.54Å; V164-F220 VanDerWaalsContact CA-O 3.23Å; V164-F220 WeakPolarHBondContact CA-O 3.3Å; I165-F220 HydrophobicContact CB-CB 4.48Å; I165-F220 HydrophobicContact CB-CD2 4.21Å; I165-F220 HydrophobicContact CG2-CD2 4.05Å; I165-F220 PolarHBondContact N-O 2.99Å; I165-F220 PolarHBondContact O-N 3.08Å; M169-F220 HydrophobicContact CE-CE2 3.57Å; M169-F220 HydrophobicContact CE-CZ 4.17Å; M169-F220 HydrophobicContact SD-CE2 4.09Å; M169-F220 HydrophobicContact SD-CZ 4.07Å; L187-F220 HydrophobicContact CD2-CE1 4.21Å; L187-F220 HydrophobicContact CD2-CZ 3.64Å; V190-F220 HydrophobicContact CG1-CE2 4.16Å; V190-F220 HydrophobicContact CG1-CZ 4.19Å; I194-F220 HydrophobicContact CD1-CB 4.43Å; I194-F220 HydrophobicContact CD1-CD1 4.41Å; I194-F220 HydrophobicContact CD1-CG 4.36Å; L201-F220 HydrophobicContact CD1-CB 3.76Å; L201-F220 HydrophobicContact CD1-CD1 3.82Å; L201-F220 HydrophobicContact CD1-CG 4.28Å; A203-F220 WeakPolarHBondContact O-CA 3.48Å; E204-F220 HydrophobicContact CB-CD1 4.35Å; E204-F220 HydrophobicContact CG-CD1 3.72Å; E204-F220 HydrophobicContact CG-CE1 3.62Å; E204-F220 HydrophobicContact CG-CZ 4.47Å; E204-F220 WeakPolarHBondContact OE2-CE1 3.46Å; Y218-F220 HydrophobicContact CG-CZ 4.47Å; F220-M222 HydrophobicContact CB-CE 3.7Å |
| 221 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F48 F52 V164 L202 A203 | F48-A221 HydrophobicContact CE1-CB 3.77Å; F48-A221 HydrophobicContact CZ-CB 3.72Å; F52-A221 HydrophobicContact CE1-CB 3.97Å; F52-A221 HydrophobicContact CE2-CB 3.7Å; F52-A221 HydrophobicContact CZ-CB 3.32Å; V164-A221 HydrophobicContact CG2-CB 4.49Å; L202-A221 HydrophobicContact CB-CB 4.28Å; L202-A221 WeakPolarHBondContact CB-O 3.09Å; L202-A221 PolarHBondContact N-O 3.48Å; A203-A221 HydrophobicContact CB-CB 4.38Å; A203-A221 PolarHBondContact N-O 3.24Å; A203-A221 PolarHBondContact O-N 2.81Å |
| 222 | M | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 155.5 | -177.4 | 66.9 | -160 | 82.7 | 0 | 0 | 112.2 | I162 V163 I165 I194 L199 H200 F220 | I162-M222 WeakPolarHBondContact CA-O 3.35Å; V163-M222 HydrophobicContact CB-CG 3.81Å; V163-M222 HydrophobicContact CG1-CG 4.39Å; V163-M222 HydrophobicContact CG1-SD 4.49Å; V163-M222 PolarHBondContact N-O 2.99Å; V163-M222 PolarHBondContact O-N 2.8Å; I165-M222 HydrophobicContact CB-CE 4.08Å; I165-M222 HydrophobicContact CD1-CE 3.85Å; I165-M222 HydrophobicContact CG1-CE 3.86Å; I194-M222 HydrophobicContact CB-SD 4.32Å; I194-M222 HydrophobicContact CD1-CE 3.62Å; I194-M222 HydrophobicContact CD1-SD 4Å; I194-M222 HydrophobicContact CG1-CE 4.05Å; I194-M222 HydrophobicContact CG1-SD 3.79Å; I194-M222 HydrophobicContact CG2-CB 4.41Å; I194-M222 HydrophobicContact CG2-SD 3.65Å; L199-M222 HydrophobicContact CB-CB 4.18Å; L199-M222 HydrophobicContact CB-CG 4.12Å; L199-M222 HydrophobicContact CB-SD 4.24Å; L199-M222 HydrophobicContact CD1-CG 3.92Å; L199-M222 HydrophobicContact CD1-SD 3.69Å; L199-M222 HydrophobicContact CD2-CG 4.32Å; L199-M222 HydrophobicContact CG-CG 4.35Å; H200-M222 WeakPolarHBondContact O-CA 3.42Å; H200-M222 WeakPolarHBondContact O-CB 3.4Å; F220-M222 HydrophobicContact CB-CE 3.7Å |
| 223 | R | 94.9 | Very high | 97.3 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 38% | 0.381 | 20% | 0.201 | S | C | . | . | trans | -152.9 | 0 | 169.6 | 76.2 | 179 | 107.2 | 85 | -3.4 | 111.8 | L157 G161 I162 L199 H200 L202 | L157-R223 HydrophobicContact CD1-CB 4.27Å; G161-R223 WeakPolarHBondContact O-CB 3.4Å; I162-R223 HydrophobicContact CG2-CB 4.5Å; L199-R223 VanDerWaalsContact CD2-C 3.48Å; L199-R223 WeakPolarHBondContact CD2-OXT 3.25Å; H200-R223 PolarHBondContact N-O 2.97Å; H200-R223 PolarHBondContact O-N 3.08Å; L202-R223 HydrophobicContact CD1-CB 4.33Å; L202-R223 HydrophobicContact CD1-CG 3.99Å; L202-R223 HydrophobicContact CD2-CG 4.28Å; L202-R223 VanDerWaalsContact CD2-CZ 3.47Å; L202-R223 HydrophobicContact CG-CG 4.49Å |
Retrieved 223 of 223 residues in 559.8 ms
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