| 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 | 27.8 | Very low | 50.8 | Low | 188 Ų | 188 | 61.9 Ų | 61.9 | 93% | 0.926 | 34% | 0.338 | S | S | * | . | 0 | -5.2 | 0 | -73.7 | -161.2 | 169.7 | 0 | 0 | 113.5 | K37 | M1-K37 PolarHBondContact O-NZ 3.07Š| |||
| 2 | D | 39.7 | Very low | 50.6 | Low | 128 Ų | 128 | 62.6 Ų | 62.6 | 68% | 0.684 | 34% | 0.336 | S | S | * | . | trans | -116.7 | 22.8 | -172.6 | -57.7 | -39.1 | 0 | 0 | 0 | 115.1 | ||||
| 3 | S | 49 | Very low | 50.7 | Low | 48 Ų | 48 | 62.2 Ų | 62.2 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | trans | -86.5 | 137.8 | 179.8 | 77.5 | 0 | 0 | 0 | 0 | 112 | D5 E6 | S3-D5 PolarHBondContact O-N 3.04Å; S3-E6 PolarHBondContact O-N 3.32Å; S3-E6 VanDerWaalsContact O-N 3.09Å; S3-E6 PolarHBondContact OG-N 3.46Å | ||
| 4 | P | 50.7 | Low | 50.4 | Low | 32 Ų | 32 | 60.9 Ų | 60.9 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.8 | -29.1 | 166.9 | -24 | 32.6 | 0 | 0 | 0 | 112.5 | E6 L7 L8 | P4-E6 VanDerWaalsContact C-N 3.34Å; P4-E6 PolarHBondContact O-N 3.3Å; P4-L7 PolarHBondContact O-N 3.16Å; P4-L8 WeakPolarHBondContact O-CG 3.33Å; P4-L8 PolarHBondContact O-N 3.11Å |
| 5 | D | 53.7 | Low | 49.6 | Very low | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -32.9 | 176.8 | -74.8 | -45 | 0 | 0 | 0 | 112.1 | S3 L8 T9 K53 | S3-D5 PolarHBondContact O-N 3.04Å; D5-L8 CarbonylContact O-C 3.57Å; D5-L8 WeakPolarHBondContact O-CB 3.49Å; D5-L8 PolarHBondContact O-N 3.24Å; D5-T9 WeakPolarHBondContact O-CB 3.39Å; D5-T9 PolarHBondContact O-N 2.81Å; D5-T9 PolarHBondContact O-OG1 3.37Å; D5-K53 IonicContact OD1-NZ 2.91Å; D5-K53 PolarHBondContact OD1-NZ 3.32Å; D5-K53 VanDerWaalsContact OD1-NZ 3.09Å |
| 6 | E | 56.8 | Low | 48.8 | Very low | 83 Ų | 83 | 68 Ų | 68 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 173.8 | -93.3 | 179.4 | -163.1 | 0 | 0 | 112.8 | S3 P4 L8 T9 S10 K37 | S3-E6 PolarHBondContact O-N 3.32Å; S3-E6 VanDerWaalsContact O-N 3.09Å; S3-E6 PolarHBondContact OG-N 3.46Å; P4-E6 VanDerWaalsContact C-N 3.34Å; P4-E6 PolarHBondContact O-N 3.3Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-T9 CarbonylContact O-C 3.56Å; E6-T9 PolarHBondContact O-N 2.92Å; E6-S10 WeakPolarHBondContact O-CB 3.45Å; E6-S10 PolarHBondContact O-N 2.99Å; E6-S10 PolarHBondContact O-OG 2.76Å; E6-K37 IonicContact OE2-NZ 3.55Å; E6-K37 PolarHBondContact OE2-NZ 3.41Å; E6-K37 VanDerWaalsContact OE2-NZ 3.11Å |
| 7 | L | 58.5 | Low | 48 | Very low | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.8 | -176.2 | 85.7 | 0 | 0 | 0 | 109.7 | P4 S10 I11 K37 L41 F57 W111 | P4-L7 PolarHBondContact O-N 3.16Å; L7-S10 PolarHBondContact O-N 3.4Å; L7-S10 PolarHBondContact O-OG 2.98Å; L7-I11 HydrophobicContact CD1-CD1 4.5Å; L7-I11 HydrophobicContact CD2-CD1 4.09Å; L7-I11 HydrophobicContact CG-CD1 3.79Å; L7-I11 HydrophobicContact CG-CG1 4.49Å; L7-I11 WeakPolarHBondContact O-CB 3.49Å; L7-I11 WeakPolarHBondContact O-CD1 3.09Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 3.17Å; L7-K37 HydrophobicContact CD1-CB 4.17Å; L7-K37 HydrophobicContact CD1-CG 3.56Å; L7-L41 HydrophobicContact CB-CD1 4.26Å; L7-L41 HydrophobicContact CD1-CD1 4.31Å; L7-L41 HydrophobicContact CD2-CD1 4.19Å; L7-L41 HydrophobicContact CG-CD1 4.49Å; L7-F57 HydrophobicContact CD2-CE2 3.91Å; L7-W111 HydrophobicContact CD2-CH2 3.67Å; L7-W111 HydrophobicContact CD2-CZ3 4.31Å |
| 8 | L | 52.8 | Low | 47.3 | Very low | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 171.3 | -74.5 | 170.6 | 0 | 0 | 0 | 110.6 | P4 D5 E6 S10 I11 F12 F48 F57 | P4-L8 WeakPolarHBondContact O-CG 3.33Å; P4-L8 PolarHBondContact O-N 3.11Å; D5-L8 CarbonylContact O-C 3.57Å; D5-L8 WeakPolarHBondContact O-CB 3.49Å; D5-L8 PolarHBondContact O-N 3.24Å; E6-L8 VanDerWaalsContact C-N 3.29Å; L8-S10 VanDerWaalsContact C-N 3.28Å; L8-S10 PolarHBondContact O-N 3.26Å; L8-I11 CarbonylContact O-C 3.48Å; L8-I11 PolarHBondContact O-N 3.22Å; L8-F12 VanDerWaalsContact C-CD2 3.43Å; L8-F12 HydrophobicContact CB-CD2 3.83Å; L8-F12 HydrophobicContact CB-CE2 3.8Å; L8-F12 HydrophobicContact CD2-CD2 4.48Å; L8-F12 HydrophobicContact CD2-CE2 3.79Å; L8-F12 HydrophobicContact CD2-CZ 4.48Å; L8-F12 HydrophobicContact CG-CE2 4.29Å; L8-F12 WeakPolarHBondContact O-CB 2.99Å; L8-F12 WeakPolarHBondContact O-CD2 3.48Å; L8-F12 VanDerWaalsContact O-CG 3.26Å; L8-F12 WeakPolarHBondContact O-CG 3.46Å; L8-F12 PolarHBondContact O-N 3.35Å; L8-F48 HydrophobicContact CD1-CD1 4.39Å; L8-F48 HydrophobicContact CD1-CE1 4.03Å; L8-F48 HydrophobicContact CD2-CE1 4.03Å; L8-F48 HydrophobicContact CG-CE1 4.43Å; L8-F57 HydrophobicContact CD2-CB 3.74Å; L8-F57 HydrophobicContact CD2-CD2 3.76Å; L8-F57 HydrophobicContact CD2-CG 4.19Å |
| 9 | T | 57.6 | Low | 46.8 | Very low | 89 Ų | 89 | 74.6 Ų | 74.6 | 55% | 0.546 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | -179.4 | -40.5 | 0 | 0 | 0 | 0 | 111.2 | D5 E6 A13 | D5-T9 WeakPolarHBondContact O-CB 3.39Å; D5-T9 PolarHBondContact O-N 2.81Å; D5-T9 PolarHBondContact O-OG1 3.37Å; E6-T9 CarbonylContact O-C 3.56Å; E6-T9 PolarHBondContact O-N 2.92Å; T9-A13 WeakPolarHBondContact O-CA 3.36Å; T9-A13 WeakPolarHBondContact O-CB 3.41Å; T9-A13 PolarHBondContact O-N 3.04Å |
| 10 | S | 57.2 | Low | 46 | Very low | 19 Ų | 19 | 75.9 Ų | 75.9 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -75.9 | -35.6 | 175.3 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | E6 L7 L8 N14 Y33 | E6-S10 WeakPolarHBondContact O-CB 3.45Å; E6-S10 PolarHBondContact O-N 2.99Å; E6-S10 PolarHBondContact O-OG 2.76Å; L7-S10 PolarHBondContact O-N 3.4Å; L7-S10 PolarHBondContact O-OG 2.98Å; L8-S10 VanDerWaalsContact C-N 3.28Å; L8-S10 PolarHBondContact O-N 3.26Å; S10-N14 VanDerWaalsContact O-CB 3.25Å; S10-N14 WeakPolarHBondContact O-CB 3.29Å; S10-N14 VanDerWaalsContact O-CG 3.23Å; S10-N14 PolarHBondContact O-N 3.17Å; S10-N14 VanDerWaalsContact O-N 3.13Å; S10-N14 PolarHBondContact O-ND2 3.26Å; S10-Y33 WeakPolarHBondContact CB-OH 3.36Å; S10-Y33 PolarHBondContact OG-OH 3.16Å |
| 11 | I | 54.8 | Low | 45.2 | Very low | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.015 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 170.3 | -67.7 | 165 | 0 | 0 | 0 | 110.4 | L7 L8 N14 E15 F57 F61 | L7-I11 HydrophobicContact CD1-CD1 4.5Å; L7-I11 HydrophobicContact CD2-CD1 4.09Å; L7-I11 HydrophobicContact CG-CD1 3.79Å; L7-I11 HydrophobicContact CG-CG1 4.49Å; L7-I11 WeakPolarHBondContact O-CB 3.49Å; L7-I11 WeakPolarHBondContact O-CD1 3.09Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 3.17Å; L8-I11 CarbonylContact O-C 3.48Å; L8-I11 PolarHBondContact O-N 3.22Å; I11-N14 CarbonylContact O-C 3.45Å; I11-N14 PolarHBondContact O-N 3.5Å; I11-E15 PolarHBondContact O-N 2.94Å; I11-F57 HydrophobicContact CD1-CD2 4.1Å; I11-F57 HydrophobicContact CD1-CE2 4.05Å; I11-F61 HydrophobicContact CD1-CB 4.49Å; I11-F61 HydrophobicContact CD1-CD2 3.8Å |
| 12 | F | 49 | Very low | 45.6 | Very low | 70 Ų | 70 | 77.3 Ų | 77.3 | 31% | 0.307 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.2 | -41.5 | -180 | -77.7 | -59.6 | 0 | 0 | 0 | 113 | L8 N14 E15 A56 | L8-F12 VanDerWaalsContact C-CD2 3.43Å; L8-F12 HydrophobicContact CB-CD2 3.83Å; L8-F12 HydrophobicContact CB-CE2 3.8Å; L8-F12 HydrophobicContact CD2-CD2 4.48Å; L8-F12 HydrophobicContact CD2-CE2 3.79Å; L8-F12 HydrophobicContact CD2-CZ 4.48Å; L8-F12 HydrophobicContact CG-CE2 4.29Å; L8-F12 WeakPolarHBondContact O-CB 2.99Å; L8-F12 WeakPolarHBondContact O-CD2 3.48Å; L8-F12 VanDerWaalsContact O-CG 3.26Å; L8-F12 WeakPolarHBondContact O-CG 3.46Å; L8-F12 PolarHBondContact O-N 3.35Å; F12-N14 PolarHBondContact O-N 2.84Å; F12-E15 WeakPolarHBondContact CD1-OE2 3.45Å; F12-E15 WeakPolarHBondContact O-CB 3.15Å; F12-E15 PolarHBondContact O-N 3.32Å; F12-E15 VanDerWaalsContact O-N 3.1Å; F12-A56 HydrophobicContact CE1-CB 3.52Å; F12-A56 HydrophobicContact CZ-CB 3.41Å; F12-A56 VanDerWaalsContact CZ-CB 3.41Å |
| 13 | A | 51.5 | Low | 45.6 | Very low | 57 Ų | 57 | 79.3 Ų | 79.3 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.1 | -28.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T9 | T9-A13 WeakPolarHBondContact O-CA 3.36Å; T9-A13 WeakPolarHBondContact O-CB 3.41Å; T9-A13 PolarHBondContact O-N 3.04Å |
| 14 | N | 46.9 | Very low | 45.3 | Very low | 44 Ų | 44 | 80.8 Ų | 80.8 | 24% | 0.235 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -90 | -10.2 | 173.9 | -69.7 | -45 | 0 | 0 | 0 | 114.3 | S10 I11 F12 E16 L17 G18 F30 | S10-N14 VanDerWaalsContact O-CB 3.25Å; S10-N14 WeakPolarHBondContact O-CB 3.29Å; S10-N14 VanDerWaalsContact O-CG 3.23Å; S10-N14 PolarHBondContact O-N 3.17Å; S10-N14 VanDerWaalsContact O-N 3.13Å; S10-N14 PolarHBondContact O-ND2 3.26Å; I11-N14 CarbonylContact O-C 3.45Å; I11-N14 PolarHBondContact O-N 3.5Å; F12-N14 PolarHBondContact O-N 2.84Å; N14-E16 VanDerWaalsContact C-N 3.25Å; N14-L17 CarbonylContact O-C 3.48Å; N14-L17 WeakPolarHBondContact O-CA 3.34Å; N14-L17 WeakPolarHBondContact O-CB 3.23Å; N14-L17 PolarHBondContact O-N 3.06Å; N14-L17 VanDerWaalsContact O-N 3.13Å; N14-L17 WeakPolarHBondContact OD1-CD1 3.41Å; N14-G18 PolarHBondContact O-N 3.32Å; N14-F30 VanDerWaalsContact ND2-CE2 3.31Å; N14-F30 WeakPolarHBondContact ND2-CE2 3.25Å |
| 15 | E | 37.4 | Very low | 45.1 | Very low | 85 Ų | 85 | 83.8 Ų | 83.8 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.9 | -32.2 | 166.3 | -113.8 | -173.9 | 174.3 | 0 | 0 | 110.6 | I11 F12 L17 G18 K19 | I11-E15 PolarHBondContact O-N 2.94Å; F12-E15 WeakPolarHBondContact CD1-OE2 3.45Å; F12-E15 WeakPolarHBondContact O-CB 3.15Å; F12-E15 PolarHBondContact O-N 3.32Å; F12-E15 VanDerWaalsContact O-N 3.1Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-G18 PolarHBondContact O-N 3.4Å; E15-K19 PolarHBondContact O-N 3.1Å |
| 16 | E | 37.8 | Very low | 45.1 | Very low | 151 Ų | 151 | 82.1 Ų | 82.1 | 71% | 0.706 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.1 | -34.3 | 168.5 | -72.9 | -154.4 | 148.6 | 0 | 0 | 112.2 | N14 K19 I20 | N14-E16 VanDerWaalsContact C-N 3.25Å; E16-K19 PolarHBondContact O-N 3.37Å; E16-I20 WeakPolarHBondContact O-CG1 3.49Å; E16-I20 PolarHBondContact O-N 3.28Å |
| 17 | L | 34.6 | Very low | 45.3 | Very low | 76 Ų | 76 | 82.4 Ų | 82.4 | 40% | 0.398 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.3 | -29.1 | 168.9 | -88.7 | 141.8 | 0 | 0 | 0 | 113 | N14 E15 K19 I20 | N14-L17 CarbonylContact O-C 3.48Å; N14-L17 WeakPolarHBondContact O-CA 3.34Å; N14-L17 WeakPolarHBondContact O-CB 3.23Å; N14-L17 PolarHBondContact O-N 3.06Å; N14-L17 VanDerWaalsContact O-N 3.13Å; N14-L17 WeakPolarHBondContact OD1-CD1 3.41Å; E15-L17 VanDerWaalsContact C-N 3.33Å; L17-K19 PolarHBondContact O-N 3.05Å; L17-I20 HydrophobicContact CD2-CD1 4.47Å; L17-I20 HydrophobicContact CG-CD1 4.45Å; L17-I20 CarbonylContact O-C 3.57Å; L17-I20 WeakPolarHBondContact O-CA 3.22Å; L17-I20 WeakPolarHBondContact O-CB 3.46Å; L17-I20 PolarHBondContact O-N 3.48Å |
| 18 | G | 36.1 | Very low | 45.6 | Very low | 70 Ų | 70 | 87.9 Ų | 87.9 | 72% | 0.722 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.7 | -22.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N14 E15 | N14-G18 PolarHBondContact O-N 3.32Å; E15-G18 PolarHBondContact O-N 3.4Å |
| 19 | K | 38.1 | Very low | 46.3 | Very low | 183 Ų | 183 | 95.1 Ų | 95.1 | 80% | 0.796 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -82.9 | -19.9 | 167.8 | -70 | -179.8 | -179.5 | 173.1 | 0 | 112.7 | E15 E16 L17 R21 | E15-K19 PolarHBondContact O-N 3.1Å; E16-K19 PolarHBondContact O-N 3.37Å; L17-K19 PolarHBondContact O-N 3.05Å; K19-R21 PolarHBondContact O-N 3.48Å |
| 20 | I | 29.9 | Very low | 46.9 | Very low | 100 Ų | 100 | 92.9 Ų | 92.9 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -84.5 | 95.3 | 176.4 | -61.2 | 169.6 | 0 | 0 | 0 | 108.3 | E16 L17 S22 | E16-I20 WeakPolarHBondContact O-CG1 3.49Å; E16-I20 PolarHBondContact O-N 3.28Å; L17-I20 HydrophobicContact CD2-CD1 4.47Å; L17-I20 HydrophobicContact CG-CD1 4.45Å; L17-I20 CarbonylContact O-C 3.57Å; L17-I20 WeakPolarHBondContact O-CA 3.22Å; L17-I20 WeakPolarHBondContact O-CB 3.46Å; L17-I20 PolarHBondContact O-N 3.48Å; I20-S22 PolarHBondContact O-N 3.2Å |
| 21 | R | 30.3 | Very low | 47.5 | Very low | 246 Ų | 246 | 92 Ų | 92 | 93% | 0.928 | 47% | 0.468 | S | S | * | . | trans | -49.1 | 103.5 | 166.4 | -69.3 | 173.2 | 171.9 | -178.4 | -2.8 | 111.2 | K19 | K19-R21 PolarHBondContact O-N 3.48Š| ||
| 22 | S | 35.4 | Very low | 48.3 | Very low | 49 Ų | 49 | 95 Ų | 95 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | trans | -163.9 | 136.1 | 141.5 | 84.9 | 0 | 0 | 0 | 0 | 109 | I20 S24 D25 | I20-S22 PolarHBondContact O-N 3.2Å; S22-S24 WeakPolarHBondContact CB-OG 3.26Å; S22-S24 PolarHBondContact O-N 3.05Å; S22-S24 VanDerWaalsContact O-N 3.13Å; S22-S24 PolarHBondContact OG-N 3Å; S22-S24 PolarHBondContact OG-OG 3.1Å; S22-D25 PolarHBondContact OG-N 3.11Å; S22-D25 PolarHBondContact OG-OD2 3.32Å | ||
| 23 | K | 40.2 | Very low | 49.6 | Very low | 169 Ų | 169 | 96.3 Ų | 96.3 | 74% | 0.735 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -7.7 | 170.9 | -80.1 | -176.2 | 163.8 | -151.8 | 0 | 112.6 | D74 | K23-D74 IonicContact NZ-OD1 3.74Å; K23-D74 IonicContact NZ-OD2 3.77Å; K23-D74 PolarHBondContact NZ-OD2 3.46Å |
| 24 | S | 43 | Very low | 50.8 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -15.7 | -167.6 | 52 | 0 | 0 | 0 | 0 | 115.2 | S22 | S22-S24 WeakPolarHBondContact CB-OG 3.26Å; S22-S24 PolarHBondContact O-N 3.05Å; S22-S24 VanDerWaalsContact O-N 3.13Å; S22-S24 PolarHBondContact OG-N 3Å; S22-S24 PolarHBondContact OG-OG 3.1Å |
| 25 | D | 46.5 | Very low | 52.3 | Low | 95 Ų | 95 | 92 Ų | 92 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -88.3 | -7 | -174 | -68.6 | -36.7 | 0 | 0 | 0 | 114.4 | S22 N27 | S22-D25 PolarHBondContact OG-N 3.11Å; S22-D25 PolarHBondContact OG-OD2 3.32Å; D25-N27 PolarHBondContact O-N 3.28Å |
| 26 | I | 53 | Low | 54.3 | Low | 47 Ų | 47 | 91.8 Ų | 91.8 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | trans | -88.4 | 97.6 | 168.9 | -62.1 | 176.6 | 0 | 0 | 0 | 108.3 | F30 I31 A67 Y71 | I26-F30 HydrophobicContact CG2-CD1 3.95Å; I26-I31 HydrophobicContact CG2-CD1 4.36Å; I26-I31 HydrophobicContact CG2-CG1 4.23Å; I26-A67 HydrophobicContact CD1-CB 3.18Å; I26-Y71 WeakPolarHBondContact O-CD2 3.5Å; I26-Y71 WeakPolarHBondContact O-CE2 3.4Å | ||
| 27 | N | 60.2 | Low | 56.2 | Low | 89 Ų | 89 | 85.9 Ų | 85.9 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | trans | -88.8 | 159 | 174.6 | -70.3 | -26.2 | 0 | 0 | 0 | 111.5 | D25 Q29 F30 | D25-N27 PolarHBondContact O-N 3.28Å; N27-Q29 PolarHBondContact O-N 3.07Å; N27-F30 PolarHBondContact O-N 3.45Å | ||
| 28 | E | 64.4 | Low | 58.3 | Low | 117 Ų | 117 | 82.4 Ų | 82.4 | 55% | 0.547 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -46 | -30.4 | 172.9 | -171.2 | -179.9 | -178.4 | 0 | 0 | 113.5 | I31 T32 | E28-I31 PolarHBondContact O-N 3.34Å; E28-T32 WeakPolarHBondContact O-CB 3.49Å; E28-T32 PolarHBondContact O-N 2.95Å; E28-T32 PolarHBondContact O-OG1 3.37Å |
| 29 | Q | 67.5 | Low | 60.3 | Low | 159 Ų | 159 | 85.8 Ų | 85.8 | 74% | 0.743 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.7 | -42.3 | 174.7 | -66.9 | -178.9 | -3 | 0 | 0 | 113.5 | N27 I31 Y33 | N27-Q29 PolarHBondContact O-N 3.07Å; Q29-I31 VanDerWaalsContact C-N 3.34Å; Q29-Y33 VanDerWaalsContact O-CB 3.31Å; Q29-Y33 WeakPolarHBondContact O-CB 3.39Å; Q29-Y33 PolarHBondContact O-N 3.44Å |
| 30 | F | 71.5 | Confident | 62.2 | Low | 43 Ų | 43 | 80.7 Ų | 80.7 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.8 | -40 | 178.2 | 174.1 | -102.6 | 0 | 0 | 0 | 111.1 | N14 I26 N27 Y33 L34 C64 | N14-F30 VanDerWaalsContact ND2-CE2 3.31Å; N14-F30 WeakPolarHBondContact ND2-CE2 3.25Å; I26-F30 HydrophobicContact CG2-CD1 3.95Å; N27-F30 PolarHBondContact O-N 3.45Å; F30-Y33 WeakPolarHBondContact O-CB 3.48Å; F30-Y33 PolarHBondContact O-N 2.69Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.89Å; F30-C64 HydrophobicContact CE1-CB 4.37Å; F30-C64 HydrophobicContact CZ-CB 4.3Å |
| 31 | I | 68.9 | Low | 64.6 | Low | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 179.9 | -56.5 | -179.8 | 0 | 0 | 0 | 109.9 | I26 E28 Q29 Y33 L34 V35 C68 Y71 F101 L105 | I26-I31 HydrophobicContact CG2-CD1 4.36Å; I26-I31 HydrophobicContact CG2-CG1 4.23Å; E28-I31 PolarHBondContact O-N 3.34Å; Q29-I31 VanDerWaalsContact C-N 3.34Å; I31-Y33 VanDerWaalsContact C-N 3.35Å; I31-Y33 PolarHBondContact O-N 3.21Å; I31-L34 PolarHBondContact O-N 3.49Å; I31-V35 HydrophobicContact CG2-CG2 4.48Å; I31-V35 WeakPolarHBondContact O-CB 3.28Å; I31-V35 VanDerWaalsContact O-CG2 3.23Å; I31-V35 WeakPolarHBondContact O-CG2 3.25Å; I31-V35 PolarHBondContact O-N 3.27Å; I31-C68 HydrophobicContact CD1-CB 4.27Å; I31-C68 HydrophobicContact CG1-CB 4.39Å; I31-Y71 HydrophobicContact CD1-CD1 3.9Å; I31-Y71 HydrophobicContact CD1-CE1 4.48Å; I31-Y71 HydrophobicContact CD1-CG 4.42Å; I31-F101 HydrophobicContact CB-CE2 4.04Å; I31-F101 HydrophobicContact CB-CZ 4.17Å; I31-F101 HydrophobicContact CD1-CE2 4.29Å; I31-F101 HydrophobicContact CD1-CZ 3.61Å; I31-F101 HydrophobicContact CG1-CZ 4.46Å; I31-F101 HydrophobicContact CG2-CE2 3.49Å; I31-F101 VanDerWaalsContact CG2-CE2 3.49Å; I31-F101 HydrophobicContact CG2-CZ 3.59Å; I31-L105 HydrophobicContact CG2-CD2 3.7Å; I31-L105 HydrophobicContact CG2-CG 4.29Å |
| 32 | T | 72.9 | Confident | 67.1 | Low | 65 Ų | 65 | 68.8 Ų | 68.8 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 174.4 | -53.8 | 0 | 0 | 0 | 0 | 111 | E28 L34 V35 D36 | E28-T32 WeakPolarHBondContact O-CB 3.49Å; E28-T32 PolarHBondContact O-N 2.95Å; E28-T32 PolarHBondContact O-OG1 3.37Å; T32-L34 PolarHBondContact O-N 2.84Å; T32-V35 PolarHBondContact O-N 2.97Å; T32-D36 WeakPolarHBondContact O-CB 3.41Å; T32-D36 VanDerWaalsContact O-CG 3.29Å; T32-D36 PolarHBondContact O-N 2.95Å |
| 33 | Y | 76.2 | Confident | 69.2 | Low | 98 Ų | 98 | 67.7 Ų | 67.7 | 38% | 0.384 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 174.8 | 169.4 | -95.3 | 0 | 0 | 0 | 112.7 | S10 Q29 F30 I31 V35 D36 K37 | S10-Y33 WeakPolarHBondContact CB-OH 3.36Å; S10-Y33 PolarHBondContact OG-OH 3.16Å; Q29-Y33 VanDerWaalsContact O-CB 3.31Å; Q29-Y33 WeakPolarHBondContact O-CB 3.39Å; Q29-Y33 PolarHBondContact O-N 3.44Å; F30-Y33 WeakPolarHBondContact O-CB 3.48Å; F30-Y33 PolarHBondContact O-N 2.69Å; I31-Y33 VanDerWaalsContact C-N 3.35Å; I31-Y33 PolarHBondContact O-N 3.21Å; Y33-V35 PolarHBondContact O-N 3.32Å; Y33-D36 PolarHBondContact O-N 2.97Å; Y33-K37 VanDerWaalsContact O-CB 3.31Å; Y33-K37 WeakPolarHBondContact O-CB 3.21Å; Y33-K37 PolarHBondContact O-N 2.84Å |
| 34 | L | 76.5 | Confident | 71 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 178.6 | -176.9 | 75.7 | 0 | 0 | 0 | 110.9 | F30 I31 T32 K37 C38 F61 L65 T108 | F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.89Å; I31-L34 PolarHBondContact O-N 3.49Å; T32-L34 PolarHBondContact O-N 2.84Å; L34-K37 PolarHBondContact O-N 3.47Å; L34-C38 WeakPolarHBondContact O-CB 3.42Å; L34-C38 PolarHBondContact O-N 3.4Å; L34-C38 PolarHBondContact O-SG 3.01Å; L34-F61 HydrophobicContact CD1-CE2 4.16Å; L34-L65 HydrophobicContact CD2-CD2 4.39Å; L34-T108 HydrophobicContact CD2-CG2 4.13Å; L34-T108 HydrophobicContact CG-CG2 4.22Å |
| 35 | V | 78.2 | Confident | 72.6 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 178 | 165.5 | 0 | 0 | 0 | 0 | 110.8 | I31 T32 Y33 C38 K39 T108 | I31-V35 HydrophobicContact CG2-CG2 4.48Å; I31-V35 WeakPolarHBondContact O-CB 3.28Å; I31-V35 VanDerWaalsContact O-CG2 3.23Å; I31-V35 WeakPolarHBondContact O-CG2 3.25Å; I31-V35 PolarHBondContact O-N 3.27Å; T32-V35 PolarHBondContact O-N 2.97Å; Y33-V35 PolarHBondContact O-N 3.32Å; V35-C38 PolarHBondContact O-N 3.25Å; V35-K39 HydrophobicContact CG1-CD 4.07Å; V35-K39 WeakPolarHBondContact O-CB 3.4Å; V35-K39 WeakPolarHBondContact O-CG 3.43Å; V35-K39 PolarHBondContact O-N 3.06Å; V35-T108 WeakPolarHBondContact CG2-OG1 3.48Å |
| 36 | D | 79.3 | Confident | 74.1 | Confident | 82 Ų | 82 | 61.6 Ų | 61.6 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | -176.8 | -71.3 | -18 | 0 | 0 | 0 | 111.9 | T32 Y33 K39 S40 | T32-D36 WeakPolarHBondContact O-CB 3.41Å; T32-D36 VanDerWaalsContact O-CG 3.29Å; T32-D36 PolarHBondContact O-N 2.95Å; Y33-D36 PolarHBondContact O-N 2.97Å; D36-K39 PolarHBondContact O-N 2.92Å; D36-S40 PolarHBondContact O-N 3.48Å; D36-S40 PolarHBondContact O-OG 3.5Å |
| 37 | K | 76.7 | Confident | 75.1 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 174.1 | -162.8 | 67.9 | 169.6 | -175.1 | 0 | 111.7 | M1 E6 L7 Y33 L34 S40 L41 | M1-K37 PolarHBondContact O-NZ 3.07Å; E6-K37 IonicContact OE2-NZ 3.55Å; E6-K37 PolarHBondContact OE2-NZ 3.41Å; E6-K37 VanDerWaalsContact OE2-NZ 3.11Å; L7-K37 HydrophobicContact CD1-CB 4.17Å; L7-K37 HydrophobicContact CD1-CG 3.56Å; Y33-K37 VanDerWaalsContact O-CB 3.31Å; Y33-K37 WeakPolarHBondContact O-CB 3.21Å; Y33-K37 PolarHBondContact O-N 2.84Å; L34-K37 PolarHBondContact O-N 3.47Å; K37-S40 WeakPolarHBondContact CA-OG 3.39Å; K37-S40 PolarHBondContact O-N 2.95Å; K37-S40 PolarHBondContact O-OG 3.26Å; K37-L41 HydrophobicContact CG-CD1 4.16Å; K37-L41 WeakPolarHBondContact O-CD1 3.4Å; K37-L41 WeakPolarHBondContact O-CG 3.38Å; K37-L41 PolarHBondContact O-N 3.38Å |
| 38 | C | 79.4 | Confident | 75.8 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 175.2 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | L34 V35 S40 L41 T108 W111 | L34-C38 WeakPolarHBondContact O-CB 3.42Å; L34-C38 PolarHBondContact O-N 3.4Å; L34-C38 PolarHBondContact O-SG 3.01Å; V35-C38 PolarHBondContact O-N 3.25Å; C38-S40 VanDerWaalsContact C-N 3.32Å; C38-S40 PolarHBondContact O-N 3.44Å; C38-L41 PolarHBondContact O-N 3.06Å; C38-T108 HydrophobicContact CB-CG2 4.21Å; C38-W111 HydrophobicContact CB-CD2 3.98Å; C38-W111 HydrophobicContact CB-CE3 4.17Å; C38-W111 HydrophobicContact CB-CG 4.12Å; C38-W111 VanDerWaalsContact O-CD1 3.23Å; C38-W111 PolarHBondContact O-NE1 3.35Å |
| 39 | K | 77.9 | Confident | 76.2 | Confident | 140 Ų | 140 | 61.2 Ų | 61.2 | 61% | 0.609 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.2 | -32.9 | 174.7 | -77.4 | 174.8 | -178.1 | 168.8 | 0 | 113.2 | V35 D36 | V35-K39 HydrophobicContact CG1-CD 4.07Å; V35-K39 WeakPolarHBondContact O-CB 3.4Å; V35-K39 WeakPolarHBondContact O-CG 3.43Å; V35-K39 PolarHBondContact O-N 3.06Å; D36-K39 PolarHBondContact O-N 2.92Å |
| 40 | S | 78.3 | Confident | 76.6 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 53% | 0.531 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -81.4 | -18 | -179.1 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | D36 K37 C38 | D36-S40 PolarHBondContact O-N 3.48Å; D36-S40 PolarHBondContact O-OG 3.5Å; K37-S40 WeakPolarHBondContact CA-OG 3.39Å; K37-S40 PolarHBondContact O-N 2.95Å; K37-S40 PolarHBondContact O-OG 3.26Å; C38-S40 VanDerWaalsContact C-N 3.32Å; C38-S40 PolarHBondContact O-N 3.44Å |
| 41 | L | 80.4 | Confident | 77 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -100 | 126.1 | -178.7 | -69 | 169 | 0 | 0 | 0 | 111.5 | L7 K37 C38 P43 W111 | L7-L41 HydrophobicContact CB-CD1 4.26Å; L7-L41 HydrophobicContact CD1-CD1 4.31Å; L7-L41 HydrophobicContact CD2-CD1 4.19Å; L7-L41 HydrophobicContact CG-CD1 4.49Å; K37-L41 HydrophobicContact CG-CD1 4.16Å; K37-L41 WeakPolarHBondContact O-CD1 3.4Å; K37-L41 WeakPolarHBondContact O-CG 3.38Å; K37-L41 PolarHBondContact O-N 3.38Å; C38-L41 PolarHBondContact O-N 3.06Å; L41-P43 WeakPolarHBondContact O-CD 3.46Å; L41-W111 HydrophobicContact CB-CZ2 3.98Å; L41-W111 HydrophobicContact CD1-CZ2 4.37Å; L41-W111 PolarHBondContact O-NE1 3.1Å |
| 42 | D | 81.9 | Confident | 77.5 | Confident | 87 Ų | 87 | 61.9 Ų | 61.9 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | trans | -68.1 | 126.4 | 166.9 | -179.6 | -6.2 | 0 | 0 | 0 | 109 | K44 S45 | D42-K44 PolarHBondContact O-N 3.31Å; D42-K44 PolarHBondContact OD1-N 3.2Å; D42-S45 WeakPolarHBondContact O-CB 3.44Å; D42-S45 PolarHBondContact O-N 2.98Å; D42-S45 PolarHBondContact O-OG 2.84Å | ||
| 43 | P | 80.4 | Confident | 77.8 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -47.4 | -31.6 | 172 | -28.3 | 32.4 | 0 | 0 | 0 | 114.7 | L41 S45 V46 W111 V115 L118 | L41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-S45 VanDerWaalsContact C-N 3.31Å; P43-S45 PolarHBondContact O-N 3.48Å; P43-V46 PolarHBondContact O-N 2.96Å; P43-W111 HydrophobicContact CG-CG 4.21Å; P43-V115 HydrophobicContact CB-CG2 3.93Å; P43-L118 HydrophobicContact CB-CD1 3.91Å |
| 44 | K | 78.2 | Confident | 78.1 | Confident | 157 Ų | 157 | 58.1 Ų | 58.1 | 68% | 0.683 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -71.4 | -23.5 | 178.4 | -63.9 | 175 | -178.9 | 173.3 | 0 | 113.9 | D42 V46 L118 | D42-K44 PolarHBondContact O-N 3.31Å; D42-K44 PolarHBondContact OD1-N 3.2Å; K44-V46 VanDerWaalsContact C-N 3.27Å; K44-L118 HydrophobicContact CB-CD1 4.4Å; K44-L118 HydrophobicContact CG-CD1 3.76Å; K44-L118 HydrophobicContact CG-CD2 4.48Å |
| 45 | S | 76.7 | Confident | 78.4 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -75.2 | -19.3 | 177.3 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | D42 P43 S47 | D42-S45 WeakPolarHBondContact O-CB 3.44Å; D42-S45 PolarHBondContact O-N 2.98Å; D42-S45 PolarHBondContact O-OG 2.84Å; P43-S45 VanDerWaalsContact C-N 3.31Å; P43-S45 PolarHBondContact O-N 3.48Å; S45-S47 PolarHBondContact O-N 3.28Å |
| 46 | V | 77.3 | Confident | 78.6 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | trans | -85.8 | 100.8 | -179 | -174 | 0 | 0 | 0 | 0 | 109.7 | P43 K44 F48 W111 V115 N119 | P43-V46 PolarHBondContact O-N 2.96Å; K44-V46 VanDerWaalsContact C-N 3.27Å; V46-F48 HydrophobicContact CG1-CE1 4.46Å; V46-F48 HydrophobicContact CG1-CE2 3.73Å; V46-F48 HydrophobicContact CG1-CZ 3.58Å; V46-W111 HydrophobicContact CG2-CH2 4.12Å; V46-W111 HydrophobicContact CG2-CZ2 3.77Å; V46-V115 HydrophobicContact CB-CG1 4.07Å; V46-V115 HydrophobicContact CB-CG2 4.23Å; V46-V115 HydrophobicContact CG1-CG1 3.77Å; V46-V115 HydrophobicContact CG2-CG2 4.32Å; V46-N119 PolarHBondContact O-ND2 3.35Å | ||
| 47 | S | 74 | Confident | 79 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | trans | -125.6 | 146.1 | 173.9 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | S45 | S45-S47 PolarHBondContact O-N 3.28Š| ||
| 48 | F | 76.2 | Confident | 79.5 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | trans | -113.3 | 132.7 | -177.4 | -59.1 | -83.5 | 0 | 0 | 0 | 110.3 | L8 V46 N50 K53 F54 F57 V115 | L8-F48 HydrophobicContact CD1-CD1 4.39Å; L8-F48 HydrophobicContact CD1-CE1 4.03Å; L8-F48 HydrophobicContact CD2-CE1 4.03Å; L8-F48 HydrophobicContact CG-CE1 4.43Å; V46-F48 HydrophobicContact CG1-CE1 4.46Å; V46-F48 HydrophobicContact CG1-CE2 3.73Å; V46-F48 HydrophobicContact CG1-CZ 3.58Å; F48-N50 VanDerWaalsContact C-N 3.34Å; F48-K53 HydrophobicContact CD1-CB 4.19Å; F48-F54 HydrophobicContact CB-CB 3.87Å; F48-F54 HydrophobicContact CB-CG 4.5Å; F48-F54 HydrophobicContact CD1-CB 4.25Å; F48-F54 HydrophobicContact CD2-CB 3.99Å; F48-F54 AromaticContact CD2-CD2 3.34Å; F48-F54 HydrophobicContact CD2-CD2 3.34Å; F48-F54 HydrophobicContact CD2-CE2 4.01Å; F48-F54 AromaticContact CD2-CG 3.82Å; F48-F54 HydrophobicContact CD2-CG 3.82Å; F48-F54 AromaticContact CE2-CD2 3.36Å; F48-F54 HydrophobicContact CE2-CD2 3.36Å; F48-F54 AromaticContact CE2-CE2 3.79Å; F48-F54 HydrophobicContact CE2-CE2 3.79Å; F48-F54 HydrophobicContact CE2-CG 4.29Å; F48-F54 HydrophobicContact CG-CB 3.76Å; F48-F54 AromaticContact CG-CD2 3.98Å; F48-F54 HydrophobicContact CG-CD2 3.98Å; F48-F54 HydrophobicContact CG-CG 4.14Å; F48-F54 HydrophobicContact CZ-CD2 4.01Å; F48-F57 HydrophobicContact CE1-CB 3.61Å; F48-F57 HydrophobicContact CE1-CD1 4.23Å; F48-F57 HydrophobicContact CE1-CD2 4.18Å; F48-F57 AromaticContact CE1-CG 3.74Å; F48-F57 HydrophobicContact CE1-CG 3.74Å; F48-F57 AromaticContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CE1 4.35Å; F48-F57 HydrophobicContact CE2-CG 4.3Å; F48-F57 HydrophobicContact CZ-CB 3.68Å; F48-F57 AromaticContact CZ-CD1 3.4Å; F48-F57 HydrophobicContact CZ-CD1 3.4Å; F48-F57 AromaticContact CZ-CD2 3.83Å; F48-F57 HydrophobicContact CZ-CD2 3.83Å; F48-F57 AromaticContact CZ-CE1 3.93Å; F48-F57 HydrophobicContact CZ-CE1 3.93Å; F48-F57 HydrophobicContact CZ-CE2 4.31Å; F48-F57 AromaticContact CZ-CG 3.32Å; F48-F57 HydrophobicContact CZ-CG 3.32Å; F48-F57 HydrophobicContact CZ-CZ 4.35Å; F48-V115 HydrophobicContact CE2-CG1 4.2Å | ||
| 49 | N | 71.1 | Confident | 79.8 | Confident | 151 Ų | 151 | 57 Ų | 57 | 81% | 0.807 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -81.3 | -13.6 | -179.4 | -63.3 | -10.2 | 0 | 0 | 0 | 113.3 | ||
| 50 | N | 76.3 | Confident | 80.1 | Confident | 89 Ų | 89 | 50.6 Ų | 50.6 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -155.6 | 144.1 | -178.7 | -175.2 | -13.7 | 0 | 0 | 0 | 110.2 | F48 V52 K53 F54 | F48-N50 VanDerWaalsContact C-N 3.34Å; N50-V52 PolarHBondContact O-N 3.47Å; N50-V52 PolarHBondContact OD1-N 3.06Å; N50-K53 PolarHBondContact O-N 3.44Å; N50-K53 VanDerWaalsContact O-N 3.12Å; N50-F54 PolarHBondContact O-N 3.47Å |
| 51 | D | 79.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -48.3 | -37.8 | 173.3 | -66.2 | -6.9 | 0 | 0 | 0 | 113.7 | K53 F54 S55 K127 L130 | D51-K53 PolarHBondContact O-N 2.97Å; D51-F54 PolarHBondContact O-N 3.42Å; D51-S55 VanDerWaalsContact O-CB 3.25Å; D51-S55 WeakPolarHBondContact O-CB 3.23Å; D51-S55 PolarHBondContact O-N 2.69Å; D51-K127 VanDerWaalsContact OD2-CB 3.27Å; D51-K127 WeakPolarHBondContact OD2-CB 3.28Å; D51-K127 VanDerWaalsContact OD2-CD 3.28Å; D51-K127 WeakPolarHBondContact OD2-CD 3.31Å; D51-K127 WeakPolarHBondContact OD2-CG 2.95Å; D51-K127 PolarHBondContact OD2-N 3.04Å; D51-K127 VanDerWaalsContact OD2-N 3.13Å; D51-L130 HydrophobicContact CB-CD1 3.69Å; D51-L130 HydrophobicContact CB-CD2 4.36Å; D51-L130 HydrophobicContact CB-CG 4.23Å; D51-L130 VanDerWaalsContact CG-CD1 3.43Å; D51-L130 WeakPolarHBondContact O-CD2 3.46Å; D51-L130 WeakPolarHBondContact OD1-CD1 3.43Å |
| 52 | V | 79.7 | Confident | 80.9 | Confident | 102 Ų | 102 | 46.5 Ų | 46.5 | 62% | 0.618 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | -179.9 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | N50 F54 A56 | N50-V52 PolarHBondContact O-N 3.47Å; N50-V52 PolarHBondContact OD1-N 3.06Å; V52-F54 VanDerWaalsContact C-N 3.31Å; V52-F54 PolarHBondContact O-N 3.34Å; V52-A56 WeakPolarHBondContact O-CB 3.44Å; V52-A56 PolarHBondContact O-N 3.39Å; V52-A56 VanDerWaalsContact O-N 3.08Å |
| 53 | K | 78.9 | Confident | 81.1 | Confident | 82 Ų | 82 | 44 Ų | 44 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 176.8 | -75.6 | -167.7 | 169.9 | -163.6 | 0 | 111 | D5 F48 N50 D51 F57 | D5-K53 IonicContact OD1-NZ 2.91Å; D5-K53 PolarHBondContact OD1-NZ 3.32Å; D5-K53 VanDerWaalsContact OD1-NZ 3.09Å; F48-K53 HydrophobicContact CD1-CB 4.19Å; N50-K53 PolarHBondContact O-N 3.44Å; N50-K53 VanDerWaalsContact O-N 3.12Å; D51-K53 PolarHBondContact O-N 2.97Å; K53-F57 WeakPolarHBondContact O-CB 3.42Å; K53-F57 PolarHBondContact O-N 2.92Å |
| 54 | F | 83.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.4 | -41.3 | -179.7 | -174.6 | -145.4 | 0 | 0 | 0 | 112.6 | F48 N50 D51 V52 A56 F57 I58 N119 F120 L126 L130 | F48-F54 HydrophobicContact CB-CB 3.87Å; F48-F54 HydrophobicContact CB-CG 4.5Å; F48-F54 HydrophobicContact CD1-CB 4.25Å; F48-F54 HydrophobicContact CD2-CB 3.99Å; F48-F54 AromaticContact CD2-CD2 3.34Å; F48-F54 HydrophobicContact CD2-CD2 3.34Å; F48-F54 HydrophobicContact CD2-CE2 4.01Å; F48-F54 AromaticContact CD2-CG 3.82Å; F48-F54 HydrophobicContact CD2-CG 3.82Å; F48-F54 AromaticContact CE2-CD2 3.36Å; F48-F54 HydrophobicContact CE2-CD2 3.36Å; F48-F54 AromaticContact CE2-CE2 3.79Å; F48-F54 HydrophobicContact CE2-CE2 3.79Å; F48-F54 HydrophobicContact CE2-CG 4.29Å; F48-F54 HydrophobicContact CG-CB 3.76Å; F48-F54 AromaticContact CG-CD2 3.98Å; F48-F54 HydrophobicContact CG-CD2 3.98Å; F48-F54 HydrophobicContact CG-CG 4.14Å; F48-F54 HydrophobicContact CZ-CD2 4.01Å; N50-F54 PolarHBondContact O-N 3.47Å; D51-F54 PolarHBondContact O-N 3.42Å; V52-F54 VanDerWaalsContact C-N 3.31Å; V52-F54 PolarHBondContact O-N 3.34Å; F54-A56 VanDerWaalsContact C-N 3.32Å; F54-A56 PolarHBondContact O-N 2.98Å; F54-F57 HydrophobicContact CD2-CD1 4.15Å; F54-F57 HydrophobicContact CE2-CD1 4.24Å; F54-F57 WeakPolarHBondContact O-CB 3.36Å; F54-F57 PolarHBondContact O-N 2.95Å; F54-I58 HydrophobicContact CD1-CD1 4.34Å; F54-I58 HydrophobicContact CD2-CD1 4.12Å; F54-I58 HydrophobicContact CD2-CG1 4.17Å; F54-I58 HydrophobicContact CE1-CD1 4.06Å; F54-I58 HydrophobicContact CE2-CD1 3.81Å; F54-I58 HydrophobicContact CE2-CG1 3.9Å; F54-I58 HydrophobicContact CG-CD1 4.37Å; F54-I58 HydrophobicContact CZ-CD1 3.77Å; F54-I58 HydrophobicContact CZ-CG1 4.33Å; F54-I58 WeakPolarHBondContact O-CG1 3.41Å; F54-I58 PolarHBondContact O-N 3.11Å; F54-N119 HydrophobicContact CE1-CB 3.85Å; F54-N119 HydrophobicContact CE2-CB 4.05Å; F54-N119 HydrophobicContact CZ-CB 3.52Å; F54-F120 AromaticContact CE1-CD1 3.92Å; F54-F120 HydrophobicContact CE1-CD1 3.92Å; F54-F120 AromaticContact CE1-CE1 3.61Å; F54-F120 HydrophobicContact CE1-CE1 3.61Å; F54-F120 HydrophobicContact CZ-CD1 4.14Å; F54-F120 AromaticContact CZ-CE1 3.91Å; F54-F120 HydrophobicContact CZ-CE1 3.91Å; F54-L126 HydrophobicContact CD1-CD2 4.36Å; F54-L126 HydrophobicContact CE1-CD1 4.38Å; F54-L130 HydrophobicContact CD1-CD1 3.92Å; F54-L130 HydrophobicContact CD1-CD2 4.22Å |
| 55 | S | 82.9 | Confident | 81.8 | Confident | 41 Ų | 41 | 36 Ų | 36 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.8 | -50.1 | 172.6 | -179 | 0 | 0 | 0 | 0 | 111 | D51 I58 S59 L133 | D51-S55 VanDerWaalsContact O-CB 3.25Å; D51-S55 WeakPolarHBondContact O-CB 3.23Å; D51-S55 PolarHBondContact O-N 2.69Å; S55-I58 PolarHBondContact O-N 3.09Å; S55-S59 PolarHBondContact O-N 3.14Å; S55-S59 PolarHBondContact O-OG 2.86Å; S55-L133 WeakPolarHBondContact OG-CD2 3.33Å |
| 56 | A | 82.5 | Confident | 82.3 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F12 V52 F54 I58 G60 | F12-A56 HydrophobicContact CE1-CB 3.52Å; F12-A56 HydrophobicContact CZ-CB 3.41Å; F12-A56 VanDerWaalsContact CZ-CB 3.41Å; V52-A56 WeakPolarHBondContact O-CB 3.44Å; V52-A56 PolarHBondContact O-N 3.39Å; V52-A56 VanDerWaalsContact O-N 3.08Å; F54-A56 VanDerWaalsContact C-N 3.32Å; F54-A56 PolarHBondContact O-N 2.98Å; A56-I58 PolarHBondContact O-N 3.15Å; A56-G60 PolarHBondContact O-N 2.67Å |
| 57 | F | 86.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 169.5 | 173.9 | -105.3 | 0 | 0 | 0 | 112.1 | L7 L8 I11 F48 K53 F54 F61 W111 F112 V115 | L7-F57 HydrophobicContact CD2-CE2 3.91Å; L8-F57 HydrophobicContact CD2-CB 3.74Å; L8-F57 HydrophobicContact CD2-CD2 3.76Å; L8-F57 HydrophobicContact CD2-CG 4.19Å; I11-F57 HydrophobicContact CD1-CD2 4.1Å; I11-F57 HydrophobicContact CD1-CE2 4.05Å; F48-F57 HydrophobicContact CE1-CB 3.61Å; F48-F57 HydrophobicContact CE1-CD1 4.23Å; F48-F57 HydrophobicContact CE1-CD2 4.18Å; F48-F57 AromaticContact CE1-CG 3.74Å; F48-F57 HydrophobicContact CE1-CG 3.74Å; F48-F57 AromaticContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CE1 4.35Å; F48-F57 HydrophobicContact CE2-CG 4.3Å; F48-F57 HydrophobicContact CZ-CB 3.68Å; F48-F57 AromaticContact CZ-CD1 3.4Å; F48-F57 HydrophobicContact CZ-CD1 3.4Å; F48-F57 AromaticContact CZ-CD2 3.83Å; F48-F57 HydrophobicContact CZ-CD2 3.83Å; F48-F57 AromaticContact CZ-CE1 3.93Å; F48-F57 HydrophobicContact CZ-CE1 3.93Å; F48-F57 HydrophobicContact CZ-CE2 4.31Å; F48-F57 AromaticContact CZ-CG 3.32Å; F48-F57 HydrophobicContact CZ-CG 3.32Å; F48-F57 HydrophobicContact CZ-CZ 4.35Å; K53-F57 WeakPolarHBondContact O-CB 3.42Å; K53-F57 PolarHBondContact O-N 2.92Å; F54-F57 HydrophobicContact CD2-CD1 4.15Å; F54-F57 HydrophobicContact CE2-CD1 4.24Å; F54-F57 WeakPolarHBondContact O-CB 3.36Å; F54-F57 PolarHBondContact O-N 2.95Å; F57-F61 HydrophobicContact CE2-CB 4.45Å; F57-F61 AromaticContact CE2-CD2 3.99Å; F57-F61 HydrophobicContact CE2-CD2 3.99Å; F57-F61 HydrophobicContact CZ-CD2 4.14Å; F57-F61 HydrophobicContact CZ-CG 4.44Å; F57-F61 WeakPolarHBondContact O-CB 3.24Å; F57-F61 PolarHBondContact O-N 3.45Å; F57-W111 HydrophobicContact CZ-CH2 4.24Å; F57-W111 HydrophobicContact CZ-CZ3 4.03Å; F57-F112 HydrophobicContact CD1-CE2 4.34Å; F57-F112 AromaticContact CE1-CD2 3.92Å; F57-F112 HydrophobicContact CE1-CD2 3.92Å; F57-F112 AromaticContact CE1-CE2 3.72Å; F57-F112 HydrophobicContact CE1-CE2 3.72Å; F57-F112 HydrophobicContact CZ-CD2 4.08Å; F57-F112 HydrophobicContact CZ-CE2 4.21Å; F57-V115 HydrophobicContact CE1-CB 4.47Å; F57-V115 HydrophobicContact CE1-CG1 3.68Å; F57-V115 HydrophobicContact CZ-CG1 4.03Å |
| 58 | I | 87 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -52.9 | -179.8 | -68.7 | 167 | 0 | 0 | 0 | 110.3 | F54 S55 A56 V62 A134 E137 | F54-I58 HydrophobicContact CD1-CD1 4.34Å; F54-I58 HydrophobicContact CD2-CD1 4.12Å; F54-I58 HydrophobicContact CD2-CG1 4.17Å; F54-I58 HydrophobicContact CE1-CD1 4.06Å; F54-I58 HydrophobicContact CE2-CD1 3.81Å; F54-I58 HydrophobicContact CE2-CG1 3.9Å; F54-I58 HydrophobicContact CG-CD1 4.37Å; F54-I58 HydrophobicContact CZ-CD1 3.77Å; F54-I58 HydrophobicContact CZ-CG1 4.33Å; F54-I58 WeakPolarHBondContact O-CG1 3.41Å; F54-I58 PolarHBondContact O-N 3.11Å; S55-I58 PolarHBondContact O-N 3.09Å; A56-I58 PolarHBondContact O-N 3.15Å; I58-V62 VanDerWaalsContact O-CB 3.29Å; I58-V62 WeakPolarHBondContact O-CB 3.43Å; I58-V62 VanDerWaalsContact O-CG2 3.27Å; I58-V62 WeakPolarHBondContact O-CG2 3.39Å; I58-V62 PolarHBondContact O-N 3.24Å; I58-A134 HydrophobicContact CD1-CB 4.09Å; I58-A134 HydrophobicContact CG2-CB 4.44Å; I58-E137 HydrophobicContact CG2-CB 4.24Å; I58-E137 HydrophobicContact CG2-CG 4.45Å |
| 59 | S | 86.4 | Confident | 83.7 | Confident | 34 Ų | 34 | 32.7 Ų | 32.7 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | -179.1 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | S55 G63 | S55-S59 PolarHBondContact O-N 3.14Å; S55-S59 PolarHBondContact O-OG 2.86Å; S59-G63 PolarHBondContact O-N 3.47Å |
| 60 | G | 83.7 | Confident | 84.3 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A56 V62 G63 C64 | A56-G60 PolarHBondContact O-N 2.67Å; G60-V62 PolarHBondContact O-N 2.67Å; G60-G63 WeakPolarHBondContact O-CA 3.46Å; G60-G63 PolarHBondContact O-N 3.29Å; G60-C64 PolarHBondContact O-N 3.12Å; G60-C64 PolarHBondContact O-SG 3.02Å |
| 61 | F | 87.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 179.7 | -161.7 | -82.9 | 0 | 0 | 0 | 112.1 | I11 L34 F57 G63 C64 L65 T108 W111 F112 | I11-F61 HydrophobicContact CD1-CB 4.49Å; I11-F61 HydrophobicContact CD1-CD2 3.8Å; L34-F61 HydrophobicContact CD1-CE2 4.16Å; F57-F61 HydrophobicContact CE2-CB 4.45Å; F57-F61 AromaticContact CE2-CD2 3.99Å; F57-F61 HydrophobicContact CE2-CD2 3.99Å; F57-F61 HydrophobicContact CZ-CD2 4.14Å; F57-F61 HydrophobicContact CZ-CG 4.44Å; F57-F61 WeakPolarHBondContact O-CB 3.24Å; F57-F61 PolarHBondContact O-N 3.45Å; F61-G63 VanDerWaalsContact C-N 3.32Å; F61-C64 PolarHBondContact O-N 3.27Å; F61-L65 HydrophobicContact CD1-CD1 3.86Å; F61-L65 HydrophobicContact CD1-CG 3.96Å; F61-L65 HydrophobicContact CE1-CD1 3.65Å; F61-L65 HydrophobicContact CE1-CD2 4.2Å; F61-L65 HydrophobicContact CE1-CG 3.75Å; F61-L65 PolarHBondContact O-N 2.84Å; F61-T108 HydrophobicContact CE1-CG2 4.31Å; F61-T108 HydrophobicContact CZ-CG2 3.75Å; F61-W111 HydrophobicContact CD2-CZ3 4.37Å; F61-W111 HydrophobicContact CE2-CE3 4.15Å; F61-W111 AromaticContact CE2-CZ3 3.65Å; F61-W111 HydrophobicContact CE2-CZ3 3.65Å; F61-W111 AromaticContact CZ-CE3 3.97Å; F61-W111 HydrophobicContact CZ-CE3 3.97Å; F61-W111 AromaticContact CZ-CZ3 3.94Å; F61-W111 HydrophobicContact CZ-CZ3 3.94Å; F61-F112 HydrophobicContact CB-CD2 4.11Å; F61-F112 HydrophobicContact CB-CE2 3.71Å; F61-F112 HydrophobicContact CB-CZ 4.27Å; F61-F112 HydrophobicContact CD1-CB 3.89Å; F61-F112 AromaticContact CD1-CD1 3.97Å; F61-F112 HydrophobicContact CD1-CD1 3.97Å; F61-F112 AromaticContact CD1-CD2 3.25Å; F61-F112 HydrophobicContact CD1-CD2 3.25Å; F61-F112 HydrophobicContact CD1-CE1 4.28Å; F61-F112 AromaticContact CD1-CE2 3.63Å; F61-F112 HydrophobicContact CD1-CE2 3.63Å; F61-F112 AromaticContact CD1-CG 3.43Å; F61-F112 HydrophobicContact CD1-CG 3.43Å; F61-F112 VanDerWaalsContact CD1-CG 3.43Å; F61-F112 HydrophobicContact CD1-CZ 4.11Å; F61-F112 HydrophobicContact CD2-CD2 4.37Å; F61-F112 HydrophobicContact CE1-CB 3.41Å; F61-F112 VanDerWaalsContact CE1-CB 3.41Å; F61-F112 HydrophobicContact CE1-CD1 4.25Å; F61-F112 AromaticContact CE1-CD2 3.7Å; F61-F112 HydrophobicContact CE1-CD2 3.7Å; F61-F112 AromaticContact CE1-CG 3.54Å; F61-F112 HydrophobicContact CE1-CG 3.54Å; F61-F112 AromaticContact CG-CD2 3.65Å; F61-F112 HydrophobicContact CG-CD2 3.65Å; F61-F112 AromaticContact CG-CE2 3.79Å; F61-F112 HydrophobicContact CG-CE2 3.79Å; F61-F112 HydrophobicContact CG-CG 4.29Å; F61-F112 HydrophobicContact CZ-CB 4.03Å; F61-F112 HydrophobicContact CZ-CD2 4.41Å; F61-F112 HydrophobicContact CZ-CG 4.45Å |
| 62 | V | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 173 | 166.6 | 0 | 0 | 0 | 0 | 111 | I58 G60 L65 K66 F112 E137 L141 | I58-V62 VanDerWaalsContact O-CB 3.29Å; I58-V62 WeakPolarHBondContact O-CB 3.43Å; I58-V62 VanDerWaalsContact O-CG2 3.27Å; I58-V62 WeakPolarHBondContact O-CG2 3.39Å; I58-V62 PolarHBondContact O-N 3.24Å; G60-V62 PolarHBondContact O-N 2.67Å; V62-L65 PolarHBondContact O-N 3.1Å; V62-K66 HydrophobicContact CG1-CD 3.94Å; V62-K66 VanDerWaalsContact CG1-CE 3.49Å; V62-K66 HydrophobicContact CG1-CG 4.22Å; V62-K66 WeakPolarHBondContact O-CB 3.49Å; V62-K66 VanDerWaalsContact O-CG 3.31Å; V62-K66 WeakPolarHBondContact O-CG 3.2Å; V62-K66 PolarHBondContact O-N 2.96Å; V62-F112 HydrophobicContact CG2-CE1 3.75Å; V62-F112 HydrophobicContact CG2-CZ 3.75Å; V62-E137 HydrophobicContact CB-CB 4.23Å; V62-E137 HydrophobicContact CG1-CB 4.04Å; V62-E137 WeakPolarHBondContact CG1-OE2 3.39Å; V62-E137 HydrophobicContact CG2-CB 4.02Å; V62-L141 HydrophobicContact CG1-CB 3.97Å; V62-L141 HydrophobicContact CG1-CD1 4.45Å; V62-L141 HydrophobicContact CG2-CD2 4.35Å |
| 63 | G | 85.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 21.1 Ų | 21.1 | 36% | 0.361 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -56.9 | -49 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S59 G60 F61 L65 K66 A67 | S59-G63 PolarHBondContact O-N 3.47Å; G60-G63 WeakPolarHBondContact O-CA 3.46Å; G60-G63 PolarHBondContact O-N 3.29Å; F61-G63 VanDerWaalsContact C-N 3.32Å; G63-L65 PolarHBondContact O-N 3.04Å; G63-K66 PolarHBondContact O-N 2.98Å; G63-A67 WeakPolarHBondContact O-CB 3.3Å; G63-A67 PolarHBondContact O-N 3.49Å |
| 64 | C | 85.2 | Confident | 84.4 | Confident | 14 Ų | 14 | 21.6 Ų | 21.6 | 10% | 0.095 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 175.3 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | F30 G60 F61 A67 C68 | F30-C64 HydrophobicContact CE1-CB 4.37Å; F30-C64 HydrophobicContact CZ-CB 4.3Å; G60-C64 PolarHBondContact O-N 3.12Å; G60-C64 PolarHBondContact O-SG 3.02Å; F61-C64 PolarHBondContact O-N 3.27Å; C64-A67 PolarHBondContact O-N 3.24Å; C64-C68 PolarHBondContact O-N 2.92Å; C64-C68 PolarHBondContact O-SG 3.01Å |
| 65 | L | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 179.1 | -75.5 | -176.9 | 0 | 0 | 0 | 112.6 | L34 F61 V62 G63 A67 C68 Y69 T108 F112 L141 | L34-L65 HydrophobicContact CD2-CD2 4.39Å; F61-L65 HydrophobicContact CD1-CD1 3.86Å; F61-L65 HydrophobicContact CD1-CG 3.96Å; F61-L65 HydrophobicContact CE1-CD1 3.65Å; F61-L65 HydrophobicContact CE1-CD2 4.2Å; F61-L65 HydrophobicContact CE1-CG 3.75Å; F61-L65 PolarHBondContact O-N 2.84Å; V62-L65 PolarHBondContact O-N 3.1Å; G63-L65 PolarHBondContact O-N 3.04Å; L65-A67 PolarHBondContact O-N 3.11Å; L65-C68 PolarHBondContact O-N 3.28Å; L65-Y69 HydrophobicContact CB-CE2 4.47Å; L65-Y69 WeakPolarHBondContact O-CB 3.37Å; L65-Y69 VanDerWaalsContact O-CG 3.23Å; L65-Y69 PolarHBondContact O-N 3.05Å; L65-T108 HydrophobicContact CD2-CG2 4.19Å; L65-F112 HydrophobicContact CD1-CD1 4.39Å; L65-L141 HydrophobicContact CB-CD1 3.65Å; L65-L141 HydrophobicContact CB-CD2 4.33Å; L65-L141 HydrophobicContact CD1-CD2 3.75Å |
| 66 | K | 87.7 | Confident | 82.8 | Confident | 52 Ų | 52 | 24.2 Ų | 24.2 | 23% | 0.226 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.3 | -42.9 | 175.6 | -78.6 | 171.8 | 178.3 | 163 | 0 | 110.9 | V62 G63 Y69 A70 E137 S140 L141 V144 | V62-K66 HydrophobicContact CG1-CD 3.94Å; V62-K66 VanDerWaalsContact CG1-CE 3.49Å; V62-K66 HydrophobicContact CG1-CG 4.22Å; V62-K66 WeakPolarHBondContact O-CB 3.49Å; V62-K66 VanDerWaalsContact O-CG 3.31Å; V62-K66 WeakPolarHBondContact O-CG 3.2Å; V62-K66 PolarHBondContact O-N 2.96Å; G63-K66 PolarHBondContact O-N 2.98Å; K66-Y69 PolarHBondContact O-N 2.95Å; K66-A70 WeakPolarHBondContact O-CB 3.47Å; K66-A70 PolarHBondContact O-N 3.14Å; K66-E137 IonicContact NZ-OE2 3.11Å; K66-E137 PolarHBondContact NZ-OE2 3.35Å; K66-S140 WeakPolarHBondContact CE-OG 3.45Å; K66-S140 PolarHBondContact NZ-OG 3.43Å; K66-L141 HydrophobicContact CB-CD1 4.47Å; K66-L141 HydrophobicContact CG-CD1 3.7Å; K66-V144 HydrophobicContact CG-CB 4.49Å; K66-V144 HydrophobicContact CG-CG2 4.16Å |
| 67 | A | 83.9 | Confident | 81.4 | Confident | 30 Ų | 30 | 26.8 Ų | 26.8 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71 | -39.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I26 G63 C64 L65 Y69 A70 Y71 | I26-A67 HydrophobicContact CD1-CB 3.18Å; G63-A67 WeakPolarHBondContact O-CB 3.3Å; G63-A67 PolarHBondContact O-N 3.49Å; C64-A67 PolarHBondContact O-N 3.24Å; L65-A67 PolarHBondContact O-N 3.11Å; A67-Y69 VanDerWaalsContact C-N 3.33Å; A67-Y69 PolarHBondContact O-N 2.76Å; A67-A70 PolarHBondContact O-N 2.69Å; A67-Y71 WeakPolarHBondContact O-CB 3.48Å; A67-Y71 PolarHBondContact O-N 2.78Å |
| 68 | C | 85.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 170.5 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | I31 C64 L65 S72 L105 | I31-C68 HydrophobicContact CD1-CB 4.27Å; I31-C68 HydrophobicContact CG1-CB 4.39Å; C64-C68 PolarHBondContact O-N 2.92Å; C64-C68 PolarHBondContact O-SG 3.01Å; L65-C68 PolarHBondContact O-N 3.28Å; C68-S72 WeakPolarHBondContact O-CB 3.39Å; C68-S72 PolarHBondContact O-N 3.43Å; C68-S72 PolarHBondContact O-OG 3.08Å; C68-L105 HydrophobicContact CB-CD2 3.99Å |
| 69 | Y | 87.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | 179.1 | -66.7 | -14 | 0 | 0 | 0 | 112.5 | L65 K66 A67 S72 S73 L105 Q109 L141 A145 L148 L152 I156 | L65-Y69 HydrophobicContact CB-CE2 4.47Å; L65-Y69 WeakPolarHBondContact O-CB 3.37Å; L65-Y69 VanDerWaalsContact O-CG 3.23Å; L65-Y69 PolarHBondContact O-N 3.05Å; K66-Y69 PolarHBondContact O-N 2.95Å; A67-Y69 VanDerWaalsContact C-N 3.33Å; A67-Y69 PolarHBondContact O-N 2.76Å; Y69-S72 PolarHBondContact O-N 3.2Å; Y69-S73 WeakPolarHBondContact O-CB 3.19Å; Y69-S73 PolarHBondContact O-N 3.1Å; Y69-L105 HydrophobicContact CD1-CD1 4.39Å; Y69-L105 HydrophobicContact CE1-CB 4.33Å; Y69-L105 HydrophobicContact CE1-CD1 4.46Å; Y69-Q109 PolarHBondContact OH-OE1 3.45Å; Y69-L141 HydrophobicContact CD2-CD1 3.77Å; Y69-L141 HydrophobicContact CE2-CD1 3.57Å; Y69-L141 HydrophobicContact CE2-CG 4.06Å; Y69-A145 HydrophobicContact CD2-CB 3.91Å; Y69-A145 HydrophobicContact CE2-CB 3.86Å; Y69-L148 HydrophobicContact CD1-CD1 3.71Å; Y69-L148 HydrophobicContact CG-CD1 3.78Å; Y69-L152 HydrophobicContact CE1-CD2 4.21Å; Y69-I156 HydrophobicContact CE2-CD1 4.07Å |
| 70 | A | 83.5 | Confident | 75.7 | Confident | 42 Ų | 42 | 36.5 Ų | 36.5 | 35% | 0.347 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K66 A67 S72 S73 D74 | K66-A70 WeakPolarHBondContact O-CB 3.47Å; K66-A70 PolarHBondContact O-N 3.14Å; A67-A70 PolarHBondContact O-N 2.69Å; A70-S72 PolarHBondContact O-N 2.99Å; A70-S73 PolarHBondContact O-N 3.27Å; A70-D74 PolarHBondContact O-N 3.05Å |
| 71 | Y | 81.7 | Confident | 73.4 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 174.1 | 179.8 | -89.1 | 0 | 0 | 0 | 111.8 | I26 I31 A67 S73 D74 H75 | I26-Y71 WeakPolarHBondContact O-CD2 3.5Å; I26-Y71 WeakPolarHBondContact O-CE2 3.4Å; I31-Y71 HydrophobicContact CD1-CD1 3.9Å; I31-Y71 HydrophobicContact CD1-CE1 4.48Å; I31-Y71 HydrophobicContact CD1-CG 4.42Å; A67-Y71 WeakPolarHBondContact O-CB 3.48Å; A67-Y71 PolarHBondContact O-N 2.78Å; Y71-S73 PolarHBondContact O-N 3.47Å; Y71-D74 PolarHBondContact O-N 3.15Å; Y71-H75 AromaticContact CD2-CE1 3.63Å; Y71-H75 AromaticContact CD2-ND1 3.79Å; Y71-H75 AromaticContact CE1-ND1 3.9Å; Y71-H75 AromaticContact CE2-CE1 3.28Å; Y71-H75 WeakPolarHBondContact CE2-CE1 3.37Å; Y71-H75 AromaticContact CE2-ND1 3.68Å; Y71-H75 AromaticContact CE2-NE2 3.95Å; Y71-H75 AromaticContact CG-ND1 3.97Å; Y71-H75 AromaticContact CZ-CE1 3.63Å; Y71-H75 AromaticContact CZ-ND1 3.73Å; Y71-H75 PolarHBondContact O-N 3.34Å; Y71-H75 VanDerWaalsContact O-N 3.08Å; Y71-H75 PolarHBondContact O-ND1 3.19Å |
| 72 | S | 80.4 | Confident | 70.9 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -32.3 | 178.8 | -53.1 | 0 | 0 | 0 | 0 | 112.5 | C68 Y69 A70 A76 F101 | C68-S72 WeakPolarHBondContact O-CB 3.39Å; C68-S72 PolarHBondContact O-N 3.43Å; C68-S72 PolarHBondContact O-OG 3.08Å; Y69-S72 PolarHBondContact O-N 3.2Å; A70-S72 PolarHBondContact O-N 2.99Å; S72-A76 PolarHBondContact O-N 2.86Å; S72-F101 WeakPolarHBondContact OG-CE1 3.29Å |
| 73 | S | 79.3 | Confident | 68.2 | Low | 39 Ų | 39 | 49.5 Ų | 49.5 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.9 | -38 | 179.7 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | Y69 A70 Y71 H75 A76 | Y69-S73 WeakPolarHBondContact O-CB 3.19Å; Y69-S73 PolarHBondContact O-N 3.1Å; A70-S73 PolarHBondContact O-N 3.27Å; Y71-S73 PolarHBondContact O-N 3.47Å; S73-H75 VanDerWaalsContact C-N 3.3Å; S73-A76 WeakPolarHBondContact O-CB 3.2Å; S73-A76 PolarHBondContact O-N 2.87Å |
| 74 | D | 76.1 | Confident | 65.8 | Low | 92 Ų | 92 | 54.4 Ų | 54.4 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.3 | -30.5 | 176.7 | -75.5 | -11.2 | 0 | 0 | 0 | 111.1 | K23 A70 Y71 | K23-D74 IonicContact NZ-OD1 3.74Å; K23-D74 IonicContact NZ-OD2 3.77Å; K23-D74 PolarHBondContact NZ-OD2 3.46Å; A70-D74 PolarHBondContact O-N 3.05Å; Y71-D74 PolarHBondContact O-N 3.15Å |
| 75 | H | 71.2 | Confident | 63.2 | Low | 56 Ų | 56 | 56.3 Ų | 56.3 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 20.4 | 178.1 | -60.9 | 81 | 0 | 0 | 0 | 113.4 | Y71 S73 A77 E78 F79 | Y71-H75 AromaticContact CD2-CE1 3.63Å; Y71-H75 AromaticContact CD2-ND1 3.79Å; Y71-H75 AromaticContact CE1-ND1 3.9Å; Y71-H75 AromaticContact CE2-CE1 3.28Å; Y71-H75 WeakPolarHBondContact CE2-CE1 3.37Å; Y71-H75 AromaticContact CE2-ND1 3.68Å; Y71-H75 AromaticContact CE2-NE2 3.95Å; Y71-H75 AromaticContact CG-ND1 3.97Å; Y71-H75 AromaticContact CZ-CE1 3.63Å; Y71-H75 AromaticContact CZ-ND1 3.73Å; Y71-H75 PolarHBondContact O-N 3.34Å; Y71-H75 VanDerWaalsContact O-N 3.08Å; Y71-H75 PolarHBondContact O-ND1 3.19Å; S73-H75 VanDerWaalsContact C-N 3.3Å; H75-A77 PolarHBondContact O-N 2.84Å; H75-E78 IonicContact CD2-OE2 3.87Å; H75-E78 PolarHBondContact O-N 2.92Å; H75-F79 HydrophobicContact CB-CD2 4.1Å; H75-F79 HydrophobicContact CB-CE2 3.76Å; H75-F79 VanDerWaalsContact O-CD2 3.27Å; H75-F79 WeakPolarHBondContact O-CD2 3.26Å; H75-F79 PolarHBondContact O-N 2.75Å |
| 76 | A | 61.6 | Low | 60.5 | Low | 43 Ų | 43 | 57.9 Ų | 57.9 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.9 | -36.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S72 S73 E78 F79 T80 | S72-A76 PolarHBondContact O-N 2.86Å; S73-A76 WeakPolarHBondContact O-CB 3.2Å; S73-A76 PolarHBondContact O-N 2.87Å; A76-E78 VanDerWaalsContact C-N 3.32Å; A76-E78 PolarHBondContact O-N 2.86Å; A76-F79 PolarHBondContact O-N 2.82Å; A76-T80 WeakPolarHBondContact O-CB 3.47Å; A76-T80 WeakPolarHBondContact O-CG2 3.45Å; A76-T80 PolarHBondContact O-N 2.84Å; A76-T80 PolarHBondContact O-OG1 2.78Å |
| 77 | A | 54 | Low | 57.8 | Low | 74 Ų | 74 | 62 Ų | 62 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.3 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | H75 F79 T80 | H75-A77 PolarHBondContact O-N 2.84Å; A77-F79 VanDerWaalsContact C-N 3.35Å; A77-T80 WeakPolarHBondContact CA-OG1 3.23Å; A77-T80 PolarHBondContact O-OG1 3.45Å; A77-T80 VanDerWaalsContact O-OG1 3.1Å |
| 78 | E | 51.1 | Low | 55.4 | Low | 134 Ų | 134 | 68.9 Ų | 68.9 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -75.3 | -25.8 | -179.5 | -63.8 | 177.9 | 173.6 | 0 | 0 | 112.1 | H75 A76 | H75-E78 IonicContact CD2-OE2 3.87Å; H75-E78 PolarHBondContact O-N 2.92Å; A76-E78 VanDerWaalsContact C-N 3.32Å; A76-E78 PolarHBondContact O-N 2.86Å |
| 79 | F | 47.4 | Very low | 52.8 | Low | 43 Ų | 43 | 73.9 Ų | 73.9 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -93.9 | -22.9 | 178.9 | -63.9 | -68.8 | 0 | 0 | 0 | 113.4 | H75 A76 A77 G82 F101 | H75-F79 HydrophobicContact CB-CD2 4.1Å; H75-F79 HydrophobicContact CB-CE2 3.76Å; H75-F79 VanDerWaalsContact O-CD2 3.27Å; H75-F79 WeakPolarHBondContact O-CD2 3.26Å; H75-F79 PolarHBondContact O-N 2.75Å; A76-F79 PolarHBondContact O-N 2.82Å; A77-F79 VanDerWaalsContact C-N 3.35Å; F79-G82 PolarHBondContact O-N 3.42Å; F79-F101 HydrophobicContact CD1-CB 4.42Å; F79-F101 HydrophobicContact CD1-CD1 4.16Å; F79-F101 HydrophobicContact CD1-CG 4.45Å; F79-F101 HydrophobicContact CE1-CB 4.24Å; F79-F101 AromaticContact CE1-CD1 3.77Å; F79-F101 HydrophobicContact CE1-CD1 3.77Å; F79-F101 HydrophobicContact CE1-CD2 4.49Å; F79-F101 HydrophobicContact CE1-CE1 4.16Å; F79-F101 AromaticContact CE1-CG 3.93Å; F79-F101 HydrophobicContact CE1-CG 3.93Å; F79-F101 HydrophobicContact CE2-CE1 4.35Å; F79-F101 HydrophobicContact CZ-CD1 4.01Å; F79-F101 AromaticContact CZ-CE1 3.91Å; F79-F101 HydrophobicContact CZ-CE1 3.91Å; F79-F101 HydrophobicContact CZ-CG 4.45Å; F79-F101 HydrophobicContact CZ-CZ 4.29Å |
| 80 | T | 40 | Very low | 50.3 | Low | 63 Ų | 63 | 81.3 Ų | 81.3 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72 | -30.8 | 179.1 | 39.2 | 0 | 0 | 0 | 0 | 113.7 | A76 A77 G82 Y83 E84 | A76-T80 WeakPolarHBondContact O-CB 3.47Å; A76-T80 WeakPolarHBondContact O-CG2 3.45Å; A76-T80 PolarHBondContact O-N 2.84Å; A76-T80 PolarHBondContact O-OG1 2.78Å; A77-T80 WeakPolarHBondContact CA-OG1 3.23Å; A77-T80 PolarHBondContact O-OG1 3.45Å; A77-T80 VanDerWaalsContact O-OG1 3.1Å; T80-G82 PolarHBondContact O-N 3.18Å; T80-G82 VanDerWaalsContact O-N 3.12Å; T80-Y83 PolarHBondContact O-N 2.85Å; T80-E84 PolarHBondContact O-N 2.88Å |
| 81 | D | 35.1 | Very low | 48.1 | Very low | 129 Ų | 129 | 84.8 Ų | 84.8 | 69% | 0.69 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.3 | -26.8 | 174.6 | -79.7 | -10.8 | 0 | 0 | 0 | 111.9 | A85 | D81-A85 WeakPolarHBondContact O-CB 3.12Å |
| 82 | G | 35.5 | Very low | 45.5 | Very low | 8 Ų | 8 | 90.6 Ų | 90.6 | 8% | 0.082 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -81 | -24.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F79 T80 C86 | F79-G82 PolarHBondContact O-N 3.42Å; T80-G82 PolarHBondContact O-N 3.18Å; T80-G82 VanDerWaalsContact O-N 3.12Å; G82-C86 VanDerWaalsContact O-CB 3.28Å; G82-C86 WeakPolarHBondContact O-CB 3.32Å; G82-C86 PolarHBondContact O-SG 3.19Å |
| 83 | Y | 33 | Very low | 43.2 | Very low | 141 Ų | 141 | 95.9 Ų | 95.9 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -91.9 | -34.4 | -174.3 | -150.4 | -97.4 | 0 | 0 | 0 | 112.7 | T80 | T80-Y83 PolarHBondContact O-N 2.85Å |
| 84 | E | 34.8 | Very low | 41.2 | Very low | 138 Ų | 138 | 99.6 Ų | 99.6 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -81.2 | -39.8 | 179.4 | -65.2 | -169.8 | 162.9 | 0 | 0 | 112.2 | T80 C86 | T80-E84 PolarHBondContact O-N 2.88Å; E84-C86 VanDerWaalsContact C-N 3.32Å; E84-C86 PolarHBondContact O-N 3.33Å |
| 85 | A | 30.2 | Very low | 39.1 | Very low | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -72.2 | -22.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D81 K87 | D81-A85 WeakPolarHBondContact O-CB 3.12Å; A85-K87 PolarHBondContact O-N 2.93Å |
| 86 | C | 31.2 | Very low | 37.2 | Very low | 32 Ų | 32 | 108.5 Ų | 108.5 | 22% | 0.216 | 59% | 0.588 | C | S | . | * | G | 310 helix | trans | -79.6 | -11.9 | -175.6 | -79.1 | 0 | 0 | 0 | 0 | 115.1 | G82 E84 K97 | G82-C86 VanDerWaalsContact O-CB 3.28Å; G82-C86 WeakPolarHBondContact O-CB 3.32Å; G82-C86 PolarHBondContact O-SG 3.19Å; E84-C86 VanDerWaalsContact C-N 3.32Å; E84-C86 PolarHBondContact O-N 3.33Å; C86-K97 WeakPolarHBondContact SG-CD 3.47Å; C86-K97 VanDerWaalsContact SG-CE 3.58Å |
| 87 | K | 31.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 111 Ų | 111 | 60% | 0.6 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -84.6 | -20.3 | 176.1 | -85.5 | -176.5 | 178.9 | 172.1 | 0 | 114.3 | A85 M225 | A85-K87 PolarHBondContact O-N 2.93Å; K87-M225 HydrophobicContact CD-CE 4.28Å; K87-M225 HydrophobicContact CD-SD 4.45Å |
| 88 | E | 34 | Very low | 34.7 | Very low | 176 Ų | 176 | 111.7 Ų | 111.7 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -3.8 | -177 | -70.4 | -167.5 | 163.9 | 0 | 0 | 114.6 | ||
| 89 | L | 30.8 | Very low | 34.3 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | trans | -127.9 | 76.9 | -177.6 | -67.1 | 168.6 | 0 | 0 | 0 | 112.1 | T91 K97 | L89-T91 PolarHBondContact O-N 3.3Å; L89-K97 PolarHBondContact O-NZ 3.08Å; L89-K97 VanDerWaalsContact O-NZ 3.08Å | ||
| 90 | D | 34.6 | Very low | 35.1 | Very low | 157 Ų | 157 | 108.3 Ų | 108.3 | 84% | 0.84 | 59% | 0.592 | S | S | * | * | trans | -81.2 | 47.8 | 165.2 | -98.9 | -13.2 | 0 | 0 | 0 | 111.4 | ||||
| 91 | T | 36.9 | Very low | 36.7 | Very low | 115 Ų | 115 | 106.5 Ų | 106.5 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | trans | -149.4 | 25.9 | -179.4 | 50.6 | 0 | 0 | 0 | 0 | 116.3 | L89 | L89-T91 PolarHBondContact O-N 3.3Š| ||
| 92 | M | 26.7 | Very low | 38.7 | Very low | 163 Ų | 163 | 103.2 Ų | 103.2 | 80% | 0.803 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -137 | 149.8 | 169.2 | -78.6 | -63.8 | 179.6 | 0 | 0 | 114.6 | ||
| 93 | P | 33 | Very low | 40.9 | Very low | 114 Ų | 114 | 106.3 Ų | 106.3 | 74% | 0.74 | 58% | 0.581 | S | S | * | * | trans | -72 | 153.7 | -164.4 | -11.7 | 28.1 | 0 | 0 | 0 | 114.2 | N95 | P93-N95 VanDerWaalsContact C-N 3.35Å; P93-N95 PolarHBondContact O-N 2.83Å | ||
| 94 | S | 36.7 | Very low | 43.3 | Very low | 116 Ų | 116 | 100.6 Ų | 100.6 | 81% | 0.811 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 16.1 | -152.1 | 54 | 0 | 0 | 0 | 0 | 119.8 | ||
| 95 | N | 33 | Very low | 45.6 | Very low | 146 Ų | 146 | 94 Ų | 94 | 78% | 0.781 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -4.5 | -167.4 | -78.4 | 11.5 | 0 | 0 | 0 | 117.8 | P93 | P93-N95 VanDerWaalsContact C-N 3.35Å; P93-N95 PolarHBondContact O-N 2.83Å |
| 96 | E | 30.4 | Very low | 48.3 | Very low | 190 Ų | 190 | 95.2 Ų | 95.2 | 89% | 0.888 | 53% | 0.527 | S | S | * | . | trans | -143.5 | 71.2 | 178 | -68.4 | -177.2 | 174.7 | 0 | 0 | 112.1 | ||||
| 97 | K | 27.7 | Very low | 50.9 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 41% | 0.409 | 53% | 0.534 | S | S | . | . | trans | -123.7 | 124.9 | 165.1 | -84.5 | 177 | 168.6 | -176.7 | 0 | 108.9 | C86 L89 S99 | C86-K97 WeakPolarHBondContact SG-CD 3.47Å; C86-K97 VanDerWaalsContact SG-CE 3.58Å; L89-K97 PolarHBondContact O-NZ 3.08Å; L89-K97 VanDerWaalsContact O-NZ 3.08Å; K97-S99 PolarHBondContact O-N 3.24Å | ||
| 98 | P | 34.3 | Very low | 53.6 | Low | 89 Ų | 89 | 89.5 Ų | 89.5 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -73.6 | 33.7 | 174.1 | 29.4 | -31.3 | 0 | 0 | 0 | 113.1 | G100 | P98-G100 PolarHBondContact O-N 3.23Š|
| 99 | S | 44.7 | Very low | 56.3 | Low | 63 Ų | 63 | 81.1 Ų | 81.1 | 44% | 0.441 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.8 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | K97 S103 | K97-S99 PolarHBondContact O-N 3.24Å; S99-S103 PolarHBondContact O-OG 2.93Å |
| 100 | G | 63.8 | Low | 59.1 | Low | 43 Ų | 43 | 78.3 Ų | 78.3 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -22.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P98 S104 | P98-G100 PolarHBondContact O-N 3.23Å; G100-S104 WeakPolarHBondContact O-CB 3.27Å; G100-S104 PolarHBondContact O-N 3.14Å; G100-S104 PolarHBondContact O-OG 2.88Å |
| 101 | F | 73.9 | Confident | 61.8 | Low | 26 Ų | 26 | 71.8 Ų | 71.8 | 11% | 0.114 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73.5 | -52.6 | -164 | -174.5 | -99.6 | 0 | 0 | 0 | 114.3 | I31 S72 F79 S103 S104 L105 | I31-F101 HydrophobicContact CB-CE2 4.04Å; I31-F101 HydrophobicContact CB-CZ 4.17Å; I31-F101 HydrophobicContact CD1-CE2 4.29Å; I31-F101 HydrophobicContact CD1-CZ 3.61Å; I31-F101 HydrophobicContact CG1-CZ 4.46Å; I31-F101 HydrophobicContact CG2-CE2 3.49Å; I31-F101 VanDerWaalsContact CG2-CE2 3.49Å; I31-F101 HydrophobicContact CG2-CZ 3.59Å; S72-F101 WeakPolarHBondContact OG-CE1 3.29Å; F79-F101 HydrophobicContact CD1-CB 4.42Å; F79-F101 HydrophobicContact CD1-CD1 4.16Å; F79-F101 HydrophobicContact CD1-CG 4.45Å; F79-F101 HydrophobicContact CE1-CB 4.24Å; F79-F101 AromaticContact CE1-CD1 3.77Å; F79-F101 HydrophobicContact CE1-CD1 3.77Å; F79-F101 HydrophobicContact CE1-CD2 4.49Å; F79-F101 HydrophobicContact CE1-CE1 4.16Å; F79-F101 AromaticContact CE1-CG 3.93Å; F79-F101 HydrophobicContact CE1-CG 3.93Å; F79-F101 HydrophobicContact CE2-CE1 4.35Å; F79-F101 HydrophobicContact CZ-CD1 4.01Å; F79-F101 AromaticContact CZ-CE1 3.91Å; F79-F101 HydrophobicContact CZ-CE1 3.91Å; F79-F101 HydrophobicContact CZ-CG 4.45Å; F79-F101 HydrophobicContact CZ-CZ 4.29Å; F101-S103 PolarHBondContact O-N 3.43Å; F101-S104 PolarHBondContact O-N 3.01Å; F101-S104 PolarHBondContact O-OG 3.06Å; F101-L105 HydrophobicContact CD1-CD1 4.11Å; F101-L105 HydrophobicContact CE1-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD1 4.18Å; F101-L105 PolarHBondContact O-N 2.82Å |
| 102 | L | 77.2 | Confident | 64.4 | Low | 59 Ų | 59 | 66.3 Ų | 66.3 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 174.9 | -67.3 | 175.3 | 0 | 0 | 0 | 111.8 | S104 L105 F106 L148 L152 | L102-S104 VanDerWaalsContact C-N 3.34Å; L102-L105 HydrophobicContact CD2-CD1 4.44Å; L102-L105 PolarHBondContact O-N 3.08Å; L102-F106 WeakPolarHBondContact O-CB 2.97Å; L102-F106 PolarHBondContact O-N 3.29Å; L102-L148 HydrophobicContact CD2-CD1 4.49Å; L102-L152 HydrophobicContact CD2-CD1 3.98Å |
| 103 | S | 80.6 | Confident | 67.5 | Low | 73 Ų | 73 | 59.5 Ų | 59.5 | 51% | 0.51 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 175.5 | -58 | 0 | 0 | 0 | 0 | 112 | S99 F101 F106 A107 | S99-S103 PolarHBondContact O-OG 2.93Å; F101-S103 PolarHBondContact O-N 3.43Å; S103-F106 PolarHBondContact O-N 3.39Å; S103-A107 PolarHBondContact O-N 2.52Å |
| 104 | S | 82.7 | Confident | 70.1 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74 | -37.4 | 177.8 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | G100 F101 L102 F106 A107 T108 | G100-S104 WeakPolarHBondContact O-CB 3.27Å; G100-S104 PolarHBondContact O-N 3.14Å; G100-S104 PolarHBondContact O-OG 2.88Å; F101-S104 PolarHBondContact O-N 3.01Å; F101-S104 PolarHBondContact O-OG 3.06Å; L102-S104 VanDerWaalsContact C-N 3.34Å; S104-F106 VanDerWaalsContact C-N 3.35Å; S104-A107 PolarHBondContact O-N 3.1Å; S104-T108 PolarHBondContact O-N 2.78Å; S104-T108 PolarHBondContact O-OG1 3.39Å |
| 105 | L | 84.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 169.8 | -76.1 | 177.2 | 0 | 0 | 0 | 111.8 | I31 C68 Y69 F101 L102 T108 Q109 | I31-L105 HydrophobicContact CG2-CD2 3.7Å; I31-L105 HydrophobicContact CG2-CG 4.29Å; C68-L105 HydrophobicContact CB-CD2 3.99Å; Y69-L105 HydrophobicContact CD1-CD1 4.39Å; Y69-L105 HydrophobicContact CE1-CB 4.33Å; Y69-L105 HydrophobicContact CE1-CD1 4.46Å; F101-L105 HydrophobicContact CD1-CD1 4.11Å; F101-L105 HydrophobicContact CE1-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD1 4.18Å; F101-L105 PolarHBondContact O-N 2.82Å; L102-L105 HydrophobicContact CD2-CD1 4.44Å; L102-L105 PolarHBondContact O-N 3.08Å; L105-T108 WeakPolarHBondContact O-CB 3.11Å; L105-T108 PolarHBondContact O-N 2.98Å; L105-Q109 PolarHBondContact O-N 2.91Å |
| 106 | F | 86.6 | Confident | 75.2 | Confident | 80 Ų | 80 | 44 Ų | 44 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 174.3 | -179.5 | -92.7 | 0 | 0 | 0 | 112.3 | L102 S103 S104 T108 Q109 C110 L152 P155 | L102-F106 WeakPolarHBondContact O-CB 2.97Å; L102-F106 PolarHBondContact O-N 3.29Å; S103-F106 PolarHBondContact O-N 3.39Å; S104-F106 VanDerWaalsContact C-N 3.35Å; F106-T108 VanDerWaalsContact C-N 3.32Å; F106-T108 PolarHBondContact O-N 3.2Å; F106-Q109 WeakPolarHBondContact O-CB 3.29Å; F106-Q109 PolarHBondContact O-N 2.74Å; F106-C110 WeakPolarHBondContact CE1-SG 3.36Å; F106-C110 PolarHBondContact O-N 2.86Å; F106-C110 PolarHBondContact O-SG 3.3Å; F106-L152 HydrophobicContact CB-CD2 4.15Å; F106-L152 HydrophobicContact CD2-CD2 4.34Å; F106-P155 HydrophobicContact CE2-CG 3.58Å; F106-P155 HydrophobicContact CZ-CG 4.23Å |
| 107 | A | 85.7 | Confident | 78 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S103 S104 C110 W111 | S103-A107 PolarHBondContact O-N 2.52Å; S104-A107 PolarHBondContact O-N 3.1Å; A107-C110 PolarHBondContact O-N 3.44Å; A107-W111 WeakPolarHBondContact O-CB 3.41Å; A107-W111 PolarHBondContact O-N 2.83Å |
| 108 | T | 87.3 | Confident | 80.8 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | L34 V35 C38 F61 L65 S104 L105 F106 W111 F112 | L34-T108 HydrophobicContact CD2-CG2 4.13Å; L34-T108 HydrophobicContact CG-CG2 4.22Å; V35-T108 WeakPolarHBondContact CG2-OG1 3.48Å; C38-T108 HydrophobicContact CB-CG2 4.21Å; F61-T108 HydrophobicContact CE1-CG2 4.31Å; F61-T108 HydrophobicContact CZ-CG2 3.75Å; L65-T108 HydrophobicContact CD2-CG2 4.19Å; S104-T108 PolarHBondContact O-N 2.78Å; S104-T108 PolarHBondContact O-OG1 3.39Å; L105-T108 WeakPolarHBondContact O-CB 3.11Å; L105-T108 PolarHBondContact O-N 2.98Å; F106-T108 VanDerWaalsContact C-N 3.32Å; F106-T108 PolarHBondContact O-N 3.2Å; T108-W111 WeakPolarHBondContact O-CB 2.9Å; T108-W111 PolarHBondContact O-N 3.21Å; T108-F112 PolarHBondContact O-N 3.36Å |
| 109 | Q | 91 | Very high | 83.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 172 | 175.7 | -170.8 | -46.4 | 0 | 0 | 111.9 | Y69 L105 F106 W111 F112 F113 L152 I156 | Y69-Q109 PolarHBondContact OH-OE1 3.45Å; L105-Q109 PolarHBondContact O-N 2.91Å; F106-Q109 WeakPolarHBondContact O-CB 3.29Å; F106-Q109 PolarHBondContact O-N 2.74Å; Q109-W111 VanDerWaalsContact C-N 3.33Å; Q109-W111 PolarHBondContact O-N 3.43Å; Q109-F112 WeakPolarHBondContact O-CB 3.02Å; Q109-F112 PolarHBondContact O-N 3.22Å; Q109-F113 HydrophobicContact CG-CD2 4.36Å; Q109-F113 HydrophobicContact CG-CE1 3.88Å; Q109-F113 HydrophobicContact CG-CE2 3.7Å; Q109-F113 HydrophobicContact CG-CZ 3.42Å; Q109-F113 VanDerWaalsContact CG-CZ 3.42Å; Q109-F113 WeakPolarHBondContact O-CD1 3.42Å; Q109-F113 VanDerWaalsContact O-CG 3.29Å; Q109-F113 WeakPolarHBondContact O-CG 3.45Å; Q109-F113 PolarHBondContact O-N 3.37Å; Q109-L152 PolarHBondContact NE2-O 3.19Å; Q109-L152 PolarHBondContact OE1-O 3.14Å; Q109-I156 HydrophobicContact CG-CG1 4.45Å; Q109-I156 VanDerWaalsContact NE2-CG1 3.34Å |
| 110 | C | 89.9 | Confident | 85.2 | Confident | 46 Ų | 46 | 34.3 Ų | 34.3 | 31% | 0.311 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.7 | -38 | 178 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | F106 A107 F113 S114 | F106-C110 WeakPolarHBondContact CE1-SG 3.36Å; F106-C110 PolarHBondContact O-N 2.86Å; F106-C110 PolarHBondContact O-SG 3.3Å; A107-C110 PolarHBondContact O-N 3.44Å; C110-F113 PolarHBondContact O-N 3.38Å; C110-S114 PolarHBondContact O-N 3.47Å; C110-S114 PolarHBondContact O-OG 2.75Å |
| 111 | W | 90.6 | Very high | 85.9 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 8% | 0.076 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 172.8 | 178.5 | 95.5 | 0 | 0 | 0 | 110.7 | L7 C38 L41 P43 V46 F57 F61 A107 T108 Q109 F113 S114 V115 | L7-W111 HydrophobicContact CD2-CH2 3.67Å; L7-W111 HydrophobicContact CD2-CZ3 4.31Å; C38-W111 HydrophobicContact CB-CD2 3.98Å; C38-W111 HydrophobicContact CB-CE3 4.17Å; C38-W111 HydrophobicContact CB-CG 4.12Å; C38-W111 VanDerWaalsContact O-CD1 3.23Å; C38-W111 PolarHBondContact O-NE1 3.35Å; L41-W111 HydrophobicContact CB-CZ2 3.98Å; L41-W111 HydrophobicContact CD1-CZ2 4.37Å; L41-W111 PolarHBondContact O-NE1 3.1Å; P43-W111 HydrophobicContact CG-CG 4.21Å; V46-W111 HydrophobicContact CG2-CH2 4.12Å; V46-W111 HydrophobicContact CG2-CZ2 3.77Å; F57-W111 HydrophobicContact CZ-CH2 4.24Å; F57-W111 HydrophobicContact CZ-CZ3 4.03Å; F61-W111 HydrophobicContact CD2-CZ3 4.37Å; F61-W111 HydrophobicContact CE2-CE3 4.15Å; F61-W111 AromaticContact CE2-CZ3 3.65Å; F61-W111 HydrophobicContact CE2-CZ3 3.65Å; F61-W111 AromaticContact CZ-CE3 3.97Å; F61-W111 HydrophobicContact CZ-CE3 3.97Å; F61-W111 AromaticContact CZ-CZ3 3.94Å; F61-W111 HydrophobicContact CZ-CZ3 3.94Å; A107-W111 WeakPolarHBondContact O-CB 3.41Å; A107-W111 PolarHBondContact O-N 2.83Å; T108-W111 WeakPolarHBondContact O-CB 2.9Å; T108-W111 PolarHBondContact O-N 3.21Å; Q109-W111 VanDerWaalsContact C-N 3.33Å; Q109-W111 PolarHBondContact O-N 3.43Å; W111-F113 PolarHBondContact O-N 3.13Å; W111-S114 WeakPolarHBondContact O-CA 2.96Å; W111-S114 VanDerWaalsContact O-CB 3.31Å; W111-S114 WeakPolarHBondContact O-CB 3.39Å; W111-S114 PolarHBondContact O-N 2.88Å; W111-V115 HydrophobicContact CD2-CG2 4.09Å; W111-V115 HydrophobicContact CE3-CG2 4.12Å; W111-V115 HydrophobicContact CH2-CG2 3.82Å; W111-V115 HydrophobicContact CZ2-CG2 3.81Å; W111-V115 HydrophobicContact CZ3-CG2 3.99Å; W111-V115 PolarHBondContact O-N 3.22Å |
| 112 | F | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 177.8 | 177.8 | -121 | 0 | 0 | 0 | 112.9 | F57 F61 V62 L65 T108 Q109 S114 V115 I116 L138 | F57-F112 HydrophobicContact CD1-CE2 4.34Å; F57-F112 AromaticContact CE1-CD2 3.92Å; F57-F112 HydrophobicContact CE1-CD2 3.92Å; F57-F112 AromaticContact CE1-CE2 3.72Å; F57-F112 HydrophobicContact CE1-CE2 3.72Å; F57-F112 HydrophobicContact CZ-CD2 4.08Å; F57-F112 HydrophobicContact CZ-CE2 4.21Å; F61-F112 HydrophobicContact CB-CD2 4.11Å; F61-F112 HydrophobicContact CB-CE2 3.71Å; F61-F112 HydrophobicContact CB-CZ 4.27Å; F61-F112 HydrophobicContact CD1-CB 3.89Å; F61-F112 AromaticContact CD1-CD1 3.97Å; F61-F112 HydrophobicContact CD1-CD1 3.97Å; F61-F112 AromaticContact CD1-CD2 3.25Å; F61-F112 HydrophobicContact CD1-CD2 3.25Å; F61-F112 HydrophobicContact CD1-CE1 4.28Å; F61-F112 AromaticContact CD1-CE2 3.63Å; F61-F112 HydrophobicContact CD1-CE2 3.63Å; F61-F112 AromaticContact CD1-CG 3.43Å; F61-F112 HydrophobicContact CD1-CG 3.43Å; F61-F112 VanDerWaalsContact CD1-CG 3.43Å; F61-F112 HydrophobicContact CD1-CZ 4.11Å; F61-F112 HydrophobicContact CD2-CD2 4.37Å; F61-F112 HydrophobicContact CE1-CB 3.41Å; F61-F112 VanDerWaalsContact CE1-CB 3.41Å; F61-F112 HydrophobicContact CE1-CD1 4.25Å; F61-F112 AromaticContact CE1-CD2 3.7Å; F61-F112 HydrophobicContact CE1-CD2 3.7Å; F61-F112 AromaticContact CE1-CG 3.54Å; F61-F112 HydrophobicContact CE1-CG 3.54Å; F61-F112 AromaticContact CG-CD2 3.65Å; F61-F112 HydrophobicContact CG-CD2 3.65Å; F61-F112 AromaticContact CG-CE2 3.79Å; F61-F112 HydrophobicContact CG-CE2 3.79Å; F61-F112 HydrophobicContact CG-CG 4.29Å; F61-F112 HydrophobicContact CZ-CB 4.03Å; F61-F112 HydrophobicContact CZ-CD2 4.41Å; F61-F112 HydrophobicContact CZ-CG 4.45Å; V62-F112 HydrophobicContact CG2-CE1 3.75Å; V62-F112 HydrophobicContact CG2-CZ 3.75Å; L65-F112 HydrophobicContact CD1-CD1 4.39Å; T108-F112 PolarHBondContact O-N 3.36Å; Q109-F112 WeakPolarHBondContact O-CB 3.02Å; Q109-F112 PolarHBondContact O-N 3.22Å; F112-S114 VanDerWaalsContact C-N 3.26Å; F112-S114 PolarHBondContact O-N 3.25Å; F112-V115 PolarHBondContact O-N 3.22Å; F112-I116 HydrophobicContact CD1-CD1 4.01Å; F112-I116 HydrophobicContact CD2-CD1 4.37Å; F112-I116 HydrophobicContact CE1-CD1 3.46Å; F112-I116 VanDerWaalsContact CE1-CD1 3.46Å; F112-I116 HydrophobicContact CE2-CD1 3.87Å; F112-I116 HydrophobicContact CE2-CG1 4.15Å; F112-I116 HydrophobicContact CG-CD1 4.44Å; F112-I116 HydrophobicContact CZ-CD1 3.39Å; F112-I116 HydrophobicContact CZ-CG1 4.17Å; F112-I116 PolarHBondContact O-N 2.95Å; F112-L138 HydrophobicContact CE1-CD2 3.97Å |
| 113 | F | 92.2 | Very high | 85.4 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -36.4 | 175.6 | -64.8 | -9.5 | 0 | 0 | 0 | 112.3 | Q109 C110 W111 I116 K117 L138 P155 I156 F159 | Q109-F113 HydrophobicContact CG-CD2 4.36Å; Q109-F113 HydrophobicContact CG-CE1 3.88Å; Q109-F113 HydrophobicContact CG-CE2 3.7Å; Q109-F113 HydrophobicContact CG-CZ 3.42Å; Q109-F113 VanDerWaalsContact CG-CZ 3.42Å; Q109-F113 WeakPolarHBondContact O-CD1 3.42Å; Q109-F113 VanDerWaalsContact O-CG 3.29Å; Q109-F113 WeakPolarHBondContact O-CG 3.45Å; Q109-F113 PolarHBondContact O-N 3.37Å; C110-F113 PolarHBondContact O-N 3.38Å; W111-F113 PolarHBondContact O-N 3.13Å; F113-I116 PolarHBondContact O-N 3.44Å; F113-K117 VanDerWaalsContact O-CB 3.23Å; F113-K117 WeakPolarHBondContact O-CB 3.3Å; F113-K117 PolarHBondContact O-N 2.96Å; F113-L138 HydrophobicContact CD1-CD2 4.36Å; F113-L138 HydrophobicContact CE1-CD2 3.76Å; F113-P155 HydrophobicContact CE2-CB 4.23Å; F113-I156 HydrophobicContact CE1-CG2 4.49Å; F113-I156 HydrophobicContact CZ-CB 4.08Å; F113-I156 HydrophobicContact CZ-CG1 3.92Å; F113-I156 HydrophobicContact CZ-CG2 4.04Å; F113-F159 HydrophobicContact CB-CD1 4.19Å; F113-F159 HydrophobicContact CB-CE1 3.99Å; F113-F159 HydrophobicContact CB-CE2 4.36Å; F113-F159 HydrophobicContact CB-CG 4.47Å; F113-F159 HydrophobicContact CB-CZ 4.08Å; F113-F159 AromaticContact CD1-CD1 3.49Å; F113-F159 HydrophobicContact CD1-CD1 3.49Å; F113-F159 VanDerWaalsContact CD1-CD1 3.49Å; F113-F159 AromaticContact CD1-CE1 3.69Å; F113-F159 HydrophobicContact CD1-CE1 3.69Å; F113-F159 HydrophobicContact CD1-CG 4.27Å; F113-F159 HydrophobicContact CD2-CB 4.24Å; F113-F159 HydrophobicContact CD2-CD1 4.18Å; F113-F159 HydrophobicContact CD2-CG 4.14Å; F113-F159 AromaticContact CE1-CD1 3.81Å; F113-F159 HydrophobicContact CE1-CD1 3.81Å; F113-F159 HydrophobicContact CE1-CE1 4.38Å; F113-F159 HydrophobicContact CE2-CB 4.1Å; F113-F159 HydrophobicContact CE2-CD1 4.42Å; F113-F159 HydrophobicContact CE2-CG 4.41Å; F113-F159 AromaticContact CG-CD1 3.7Å; F113-F159 HydrophobicContact CG-CD1 3.7Å; F113-F159 AromaticContact CG-CE1 3.93Å; F113-F159 HydrophobicContact CG-CE1 3.93Å; F113-F159 HydrophobicContact CG-CG 4.06Å; F113-F159 HydrophobicContact CG-CZ 4.47Å; F113-F159 HydrophobicContact CZ-CB 4.35Å; F113-F159 HydrophobicContact CZ-CD1 4.25Å |
| 114 | S | 88.4 | Confident | 84.7 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | C110 W111 F112 K117 L118 | C110-S114 PolarHBondContact O-N 3.47Å; C110-S114 PolarHBondContact O-OG 2.75Å; W111-S114 WeakPolarHBondContact O-CA 2.96Å; W111-S114 VanDerWaalsContact O-CB 3.31Å; W111-S114 WeakPolarHBondContact O-CB 3.39Å; W111-S114 PolarHBondContact O-N 2.88Å; F112-S114 VanDerWaalsContact C-N 3.26Å; F112-S114 PolarHBondContact O-N 3.25Å; S114-K117 PolarHBondContact O-N 3.38Å; S114-L118 WeakPolarHBondContact O-CB 3.28Å; S114-L118 WeakPolarHBondContact O-CD1 3.38Å; S114-L118 VanDerWaalsContact O-CG 3.22Å; S114-L118 WeakPolarHBondContact O-CG 3.5Å; S114-L118 PolarHBondContact O-N 3.36Å |
| 115 | V | 87.6 | Confident | 84 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | P43 V46 F48 F57 W111 F112 K117 L118 N119 | P43-V115 HydrophobicContact CB-CG2 3.93Å; V46-V115 HydrophobicContact CB-CG1 4.07Å; V46-V115 HydrophobicContact CB-CG2 4.23Å; V46-V115 HydrophobicContact CG1-CG1 3.77Å; V46-V115 HydrophobicContact CG2-CG2 4.32Å; F48-V115 HydrophobicContact CE2-CG1 4.2Å; F57-V115 HydrophobicContact CE1-CB 4.47Å; F57-V115 HydrophobicContact CE1-CG1 3.68Å; F57-V115 HydrophobicContact CZ-CG1 4.03Å; W111-V115 HydrophobicContact CD2-CG2 4.09Å; W111-V115 HydrophobicContact CE3-CG2 4.12Å; W111-V115 HydrophobicContact CH2-CG2 3.82Å; W111-V115 HydrophobicContact CZ2-CG2 3.81Å; W111-V115 HydrophobicContact CZ3-CG2 3.99Å; W111-V115 PolarHBondContact O-N 3.22Å; F112-V115 PolarHBondContact O-N 3.22Å; V115-K117 PolarHBondContact O-N 3.49Å; V115-L118 PolarHBondContact O-N 3.39Å; V115-N119 PolarHBondContact O-N 3.41Å; V115-N119 VanDerWaalsContact O-N 3.1Å; V115-N119 PolarHBondContact O-ND2 3.46Å |
| 116 | I | 89.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 176.8 | -69.7 | 174.3 | 0 | 0 | 0 | 110.3 | F112 F113 L118 N119 F120 L138 F159 I163 | F112-I116 HydrophobicContact CD1-CD1 4.01Å; F112-I116 HydrophobicContact CD2-CD1 4.37Å; F112-I116 HydrophobicContact CE1-CD1 3.46Å; F112-I116 VanDerWaalsContact CE1-CD1 3.46Å; F112-I116 HydrophobicContact CE2-CD1 3.87Å; F112-I116 HydrophobicContact CE2-CG1 4.15Å; F112-I116 HydrophobicContact CG-CD1 4.44Å; F112-I116 HydrophobicContact CZ-CD1 3.39Å; F112-I116 HydrophobicContact CZ-CG1 4.17Å; F112-I116 PolarHBondContact O-N 2.95Å; F113-I116 PolarHBondContact O-N 3.44Å; I116-L118 VanDerWaalsContact C-N 3.32Å; I116-L118 PolarHBondContact O-N 3.46Å; I116-N119 PolarHBondContact O-N 2.93Å; I116-F120 HydrophobicContact CG2-CD1 4.34Å; I116-F120 HydrophobicContact CG2-CD2 3.83Å; I116-F120 HydrophobicContact CG2-CE1 4.3Å; I116-F120 HydrophobicContact CG2-CE2 3.77Å; I116-F120 HydrophobicContact CG2-CG 4.13Å; I116-F120 HydrophobicContact CG2-CZ 4.03Å; I116-F120 WeakPolarHBondContact O-CB 3.5Å; I116-F120 WeakPolarHBondContact O-CG 3.35Å; I116-F120 PolarHBondContact O-N 3.44Å; I116-L138 HydrophobicContact CD1-CD1 4.39Å; I116-L138 HydrophobicContact CD1-CD2 4.37Å; I116-F159 HydrophobicContact CB-CE1 4.13Å; I116-F159 HydrophobicContact CB-CZ 4.04Å; I116-F159 HydrophobicContact CD1-CE1 4.16Å; I116-F159 HydrophobicContact CG2-CE1 3.98Å; I116-F159 HydrophobicContact CG2-CZ 3.83Å; I116-I163 HydrophobicContact CG2-CD1 4.21Å |
| 117 | K | 88.5 | Confident | 83.2 | Confident | 150 Ų | 150 | 55.8 Ų | 55.8 | 65% | 0.652 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | -176.8 | -172.5 | 177.3 | -179.6 | -178.8 | 0 | 112.4 | F113 S114 V115 S121 F159 | F113-K117 VanDerWaalsContact O-CB 3.23Å; F113-K117 WeakPolarHBondContact O-CB 3.3Å; F113-K117 PolarHBondContact O-N 2.96Å; S114-K117 PolarHBondContact O-N 3.38Å; V115-K117 PolarHBondContact O-N 3.49Å; K117-S121 PolarHBondContact O-N 2.95Å; K117-S121 PolarHBondContact O-OG 3.24Å; K117-F159 HydrophobicContact CB-CE2 4.49Å |
| 118 | L | 87 | Confident | 82.6 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.9 | -35.3 | 178 | -72.7 | 167.5 | 0 | 0 | 0 | 112.9 | P43 K44 S114 V115 I116 S121 | P43-L118 HydrophobicContact CB-CD1 3.91Å; K44-L118 HydrophobicContact CB-CD1 4.4Å; K44-L118 HydrophobicContact CG-CD1 3.76Å; K44-L118 HydrophobicContact CG-CD2 4.48Å; S114-L118 WeakPolarHBondContact O-CB 3.28Å; S114-L118 WeakPolarHBondContact O-CD1 3.38Å; S114-L118 VanDerWaalsContact O-CG 3.22Å; S114-L118 WeakPolarHBondContact O-CG 3.5Å; S114-L118 PolarHBondContact O-N 3.36Å; V115-L118 PolarHBondContact O-N 3.39Å; I116-L118 VanDerWaalsContact C-N 3.32Å; I116-L118 PolarHBondContact O-N 3.46Å; L118-S121 PolarHBondContact O-OG 2.97Å |
| 119 | N | 84.3 | Confident | 82.3 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.4 | -40.4 | 175 | -76.7 | -76.3 | 0 | 0 | 0 | 110.8 | V46 F54 V115 I116 S121 K122 | V46-N119 PolarHBondContact O-ND2 3.35Å; F54-N119 HydrophobicContact CE1-CB 3.85Å; F54-N119 HydrophobicContact CE2-CB 4.05Å; F54-N119 HydrophobicContact CZ-CB 3.52Å; V115-N119 PolarHBondContact O-N 3.41Å; V115-N119 VanDerWaalsContact O-N 3.1Å; V115-N119 PolarHBondContact O-ND2 3.46Å; I116-N119 PolarHBondContact O-N 2.93Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 3.48Å; N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.49Å |
| 120 | F | 85.5 | Confident | 82.1 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.7 | -22.8 | 175.5 | -76.2 | 8.5 | 0 | 0 | 0 | 113.7 | F54 I116 K122 A123 L126 F131 A134 I163 F167 | F54-F120 AromaticContact CE1-CD1 3.92Å; F54-F120 HydrophobicContact CE1-CD1 3.92Å; F54-F120 AromaticContact CE1-CE1 3.61Å; F54-F120 HydrophobicContact CE1-CE1 3.61Å; F54-F120 HydrophobicContact CZ-CD1 4.14Å; F54-F120 AromaticContact CZ-CE1 3.91Å; F54-F120 HydrophobicContact CZ-CE1 3.91Å; I116-F120 HydrophobicContact CG2-CD1 4.34Å; I116-F120 HydrophobicContact CG2-CD2 3.83Å; I116-F120 HydrophobicContact CG2-CE1 4.3Å; I116-F120 HydrophobicContact CG2-CE2 3.77Å; I116-F120 HydrophobicContact CG2-CG 4.13Å; I116-F120 HydrophobicContact CG2-CZ 4.03Å; I116-F120 WeakPolarHBondContact O-CB 3.5Å; I116-F120 WeakPolarHBondContact O-CG 3.35Å; I116-F120 PolarHBondContact O-N 3.44Å; F120-K122 PolarHBondContact O-N 2.83Å; F120-A123 WeakPolarHBondContact O-CB 3.44Å; F120-A123 PolarHBondContact O-N 3.37Å; F120-A123 VanDerWaalsContact O-N 3.16Å; F120-L126 HydrophobicContact CD1-CD1 3.78Å; F120-L126 HydrophobicContact CE1-CD1 4.31Å; F120-F131 HydrophobicContact CB-CE1 4.34Å; F120-F131 HydrophobicContact CD1-CD1 4.28Å; F120-F131 AromaticContact CD1-CE1 3.91Å; F120-F131 HydrophobicContact CD1-CE1 3.91Å; F120-F131 AromaticContact CD2-CD1 3.91Å; F120-F131 HydrophobicContact CD2-CD1 3.91Å; F120-F131 AromaticContact CD2-CE1 3.96Å; F120-F131 HydrophobicContact CD2-CE1 3.96Å; F120-F131 HydrophobicContact CE1-CD1 4.06Å; F120-F131 HydrophobicContact CE1-CE1 4.11Å; F120-F131 AromaticContact CE2-CD1 3.68Å; F120-F131 HydrophobicContact CE2-CD1 3.68Å; F120-F131 HydrophobicContact CE2-CE1 4.17Å; F120-F131 HydrophobicContact CG-CD1 4.2Å; F120-F131 AromaticContact CG-CE1 3.82Å; F120-F131 HydrophobicContact CG-CE1 3.82Å; F120-F131 AromaticContact CZ-CD1 3.75Å; F120-F131 HydrophobicContact CZ-CD1 3.75Å; F120-F131 HydrophobicContact CZ-CE1 4.23Å; F120-F131 HydrophobicContact CZ-CG 4.48Å; F120-A134 HydrophobicContact CE2-CB 4.19Å; F120-A134 HydrophobicContact CZ-CB 3.61Å; F120-I163 HydrophobicContact CD2-CD1 4.43Å; F120-I163 HydrophobicContact CD2-CG1 4.35Å; F120-I163 HydrophobicContact CE2-CD1 3.95Å; F120-I163 HydrophobicContact CE2-CG1 4.13Å; F120-I163 HydrophobicContact CE2-CG2 3.96Å; F120-F167 HydrophobicContact CB-CZ 4.33Å; F120-F167 AromaticContact CD2-CE2 3.89Å; F120-F167 HydrophobicContact CD2-CE2 3.89Å; F120-F167 HydrophobicContact CD2-CZ 4.42Å |
| 121 | S | 80.2 | Confident | 82 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 64% | 0.643 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.6 | 170.4 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | K117 L118 N119 A123 | K117-S121 PolarHBondContact O-N 2.95Å; K117-S121 PolarHBondContact O-OG 3.24Å; L118-S121 PolarHBondContact O-OG 2.97Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 3.48Å; S121-A123 VanDerWaalsContact C-N 3.29Å |
| 122 | K | 75.2 | Confident | 81.9 | Confident | 120 Ų | 120 | 54.2 Ų | 54.2 | 52% | 0.522 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 32.9 | 171.5 | -55.6 | 177.2 | -178 | 175.4 | 0 | 111.6 | N119 F120 E124 L125 | N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.49Å; F120-K122 PolarHBondContact O-N 2.83Å; K122-E124 PolarHBondContact O-N 3Å; K122-L125 PolarHBondContact O-N 3.41Å |
| 123 | A | 63.8 | Low | 81.8 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -50.6 | -33.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F120 S121 L125 L126 F131 F167 | F120-A123 WeakPolarHBondContact O-CB 3.44Å; F120-A123 PolarHBondContact O-N 3.37Å; F120-A123 VanDerWaalsContact O-N 3.16Å; S121-A123 VanDerWaalsContact C-N 3.29Å; A123-L125 PolarHBondContact O-N 3.45Å; A123-L126 PolarHBondContact O-N 3.18Å; A123-L126 VanDerWaalsContact O-N 3.11Å; A123-F131 HydrophobicContact CB-CZ 4.24Å; A123-F167 HydrophobicContact CB-CE1 4.33Å |
| 124 | E | 66.3 | Low | 81.7 | Confident | 201 Ų | 201 | 54.2 Ų | 54.2 | 94% | 0.939 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -57.6 | -20.7 | -176.4 | -68.5 | -178.8 | 174.8 | 0 | 0 | 114.1 | K122 | K122-E124 PolarHBondContact O-N 3Š|
| 125 | L | 67.8 | Low | 82 | Confident | 149 Ų | 149 | 51.8 Ų | 51.8 | 78% | 0.78 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -101.9 | -7.9 | -177.2 | -67.7 | 165.9 | 0 | 0 | 0 | 114.2 | K122 A123 | K122-L125 PolarHBondContact O-N 3.41Å; A123-L125 PolarHBondContact O-N 3.45Å |
| 126 | L | 75.5 | Confident | 82.2 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -96.5 | 137.6 | -171.3 | -61.7 | 178.1 | 0 | 0 | 0 | 111.7 | F54 F120 A123 L130 F131 | F54-L126 HydrophobicContact CD1-CD2 4.36Å; F54-L126 HydrophobicContact CE1-CD1 4.38Å; F120-L126 HydrophobicContact CD1-CD1 3.78Å; F120-L126 HydrophobicContact CE1-CD1 4.31Å; A123-L126 PolarHBondContact O-N 3.18Å; A123-L126 VanDerWaalsContact O-N 3.11Å; L126-L130 HydrophobicContact CB-CD1 4Å; L126-L130 HydrophobicContact CD2-CD1 3.75Å; L126-L130 HydrophobicContact CG-CD1 4.34Å; L126-F131 HydrophobicContact CB-CE2 3.97Å; L126-F131 HydrophobicContact CB-CZ 4Å; L126-F131 HydrophobicContact CD1-CE1 4.46Å; L126-F131 HydrophobicContact CD1-CZ 4.03Å |
| 127 | K | 79.1 | Confident | 82.3 | Confident | 121 Ų | 121 | 54.9 Ų | 54.9 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | trans | -62.3 | 143.5 | 170.7 | -78.6 | 171.7 | -173.2 | -178.1 | 0 | 112.2 | D51 S129 L130 | D51-K127 VanDerWaalsContact OD2-CB 3.27Å; D51-K127 WeakPolarHBondContact OD2-CB 3.28Å; D51-K127 VanDerWaalsContact OD2-CD 3.28Å; D51-K127 WeakPolarHBondContact OD2-CD 3.31Å; D51-K127 WeakPolarHBondContact OD2-CG 2.95Å; D51-K127 PolarHBondContact OD2-N 3.04Å; D51-K127 VanDerWaalsContact OD2-N 3.13Å; K127-S129 WeakPolarHBondContact CB-OG 3.34Å; K127-S129 PolarHBondContact O-N 3.07Å; K127-L130 PolarHBondContact O-N 2.6Å | ||
| 128 | P | 74.8 | Confident | 82.7 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 27% | 0.273 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -48.9 | -32.5 | 172 | -30.3 | 36.6 | 0 | 0 | 0 | 114.2 | L130 F131 G132 E170 N173 | P128-L130 VanDerWaalsContact C-N 3.26Å; P128-L130 PolarHBondContact O-N 3.44Å; P128-F131 PolarHBondContact O-N 2.89Å; P128-G132 PolarHBondContact O-N 2.9Å; P128-E170 HydrophobicContact CB-CB 4.07Å; P128-N173 HydrophobicContact CB-CB 4.31Å |
| 129 | S | 80 | Confident | 83 | Confident | 34 Ų | 34 | 45 Ų | 45 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -30.4 | -179.2 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | K127 G132 L133 | K127-S129 WeakPolarHBondContact CB-OG 3.34Å; K127-S129 PolarHBondContact O-N 3.07Å; S129-G132 PolarHBondContact O-N 3.3Å; S129-L133 WeakPolarHBondContact O-CB 3.41Å; S129-L133 PolarHBondContact O-N 3.28Å |
| 130 | L | 85.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.1 | -38.7 | 179.9 | -71.7 | 171.4 | 0 | 0 | 0 | 112.4 | D51 F54 L126 K127 P128 A134 | D51-L130 HydrophobicContact CB-CD1 3.69Å; D51-L130 HydrophobicContact CB-CD2 4.36Å; D51-L130 HydrophobicContact CB-CG 4.23Å; D51-L130 VanDerWaalsContact CG-CD1 3.43Å; D51-L130 WeakPolarHBondContact O-CD2 3.46Å; D51-L130 WeakPolarHBondContact OD1-CD1 3.43Å; F54-L130 HydrophobicContact CD1-CD1 3.92Å; F54-L130 HydrophobicContact CD1-CD2 4.22Å; L126-L130 HydrophobicContact CB-CD1 4Å; L126-L130 HydrophobicContact CD2-CD1 3.75Å; L126-L130 HydrophobicContact CG-CD1 4.34Å; K127-L130 PolarHBondContact O-N 2.6Å; P128-L130 VanDerWaalsContact C-N 3.26Å; P128-L130 PolarHBondContact O-N 3.44Å; L130-A134 VanDerWaalsContact O-CB 3.26Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.11Å |
| 131 | F | 88.6 | Confident | 84 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 178 | -58 | -80.6 | 0 | 0 | 0 | 111.2 | F120 A123 L126 P128 C135 F167 E170 I171 | F120-F131 HydrophobicContact CB-CE1 4.34Å; F120-F131 HydrophobicContact CD1-CD1 4.28Å; F120-F131 AromaticContact CD1-CE1 3.91Å; F120-F131 HydrophobicContact CD1-CE1 3.91Å; F120-F131 AromaticContact CD2-CD1 3.91Å; F120-F131 HydrophobicContact CD2-CD1 3.91Å; F120-F131 AromaticContact CD2-CE1 3.96Å; F120-F131 HydrophobicContact CD2-CE1 3.96Å; F120-F131 HydrophobicContact CE1-CD1 4.06Å; F120-F131 HydrophobicContact CE1-CE1 4.11Å; F120-F131 AromaticContact CE2-CD1 3.68Å; F120-F131 HydrophobicContact CE2-CD1 3.68Å; F120-F131 HydrophobicContact CE2-CE1 4.17Å; F120-F131 HydrophobicContact CG-CD1 4.2Å; F120-F131 AromaticContact CG-CE1 3.82Å; F120-F131 HydrophobicContact CG-CE1 3.82Å; F120-F131 AromaticContact CZ-CD1 3.75Å; F120-F131 HydrophobicContact CZ-CD1 3.75Å; F120-F131 HydrophobicContact CZ-CE1 4.23Å; F120-F131 HydrophobicContact CZ-CG 4.48Å; A123-F131 HydrophobicContact CB-CZ 4.24Å; L126-F131 HydrophobicContact CB-CE2 3.97Å; L126-F131 HydrophobicContact CB-CZ 4Å; L126-F131 HydrophobicContact CD1-CE1 4.46Å; L126-F131 HydrophobicContact CD1-CZ 4.03Å; P128-F131 PolarHBondContact O-N 2.89Å; F131-C135 WeakPolarHBondContact O-CB 3.5Å; F131-C135 PolarHBondContact O-N 3.23Å; F131-F167 HydrophobicContact CB-CB 4.11Å; F131-F167 HydrophobicContact CD1-CB 4.02Å; F131-F167 AromaticContact CD1-CD1 3.7Å; F131-F167 HydrophobicContact CD1-CD1 3.7Å; F131-F167 AromaticContact CD1-CD2 3.64Å; F131-F167 HydrophobicContact CD1-CD2 3.64Å; F131-F167 HydrophobicContact CD1-CE1 4Å; F131-F167 AromaticContact CD1-CE2 3.95Å; F131-F167 HydrophobicContact CD1-CE2 3.95Å; F131-F167 AromaticContact CD1-CG 3.5Å; F131-F167 HydrophobicContact CD1-CG 3.5Å; F131-F167 VanDerWaalsContact CD1-CG 3.5Å; F131-F167 HydrophobicContact CD1-CZ 4.12Å; F131-F167 AromaticContact CE1-CD1 3.58Å; F131-F167 HydrophobicContact CE1-CD1 3.58Å; F131-F167 HydrophobicContact CE1-CD2 4.05Å; F131-F167 AromaticContact CE1-CE1 3.46Å; F131-F167 HydrophobicContact CE1-CE1 3.46Å; F131-F167 VanDerWaalsContact CE1-CE1 3.46Å; F131-F167 AromaticContact CE1-CE2 3.94Å; F131-F167 HydrophobicContact CE1-CE2 3.94Å; F131-F167 AromaticContact CE1-CG 3.87Å; F131-F167 HydrophobicContact CE1-CG 3.87Å; F131-F167 AromaticContact CE1-CZ 3.64Å; F131-F167 HydrophobicContact CE1-CZ 3.64Å; F131-F167 HydrophobicContact CG-CB 4.13Å; F131-F167 HydrophobicContact CG-CD1 4.32Å; F131-F167 HydrophobicContact CG-CG 4.09Å; F131-F167 HydrophobicContact CZ-CD1 4.12Å; F131-F167 HydrophobicContact CZ-CE1 4.03Å; F131-E170 HydrophobicContact CB-CB 4.21Å; F131-E170 HydrophobicContact CD2-CB 3.84Å; F131-E170 HydrophobicContact CD2-CG 3.96Å; F131-E170 HydrophobicContact CE2-CG 4.21Å; F131-E170 HydrophobicContact CG-CB 4.23Å; F131-I171 HydrophobicContact CB-CG1 4.38Å |
| 132 | G | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -54.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P128 S129 A134 C135 K136 Y174 F193 | P128-G132 PolarHBondContact O-N 2.9Å; S129-G132 PolarHBondContact O-N 3.3Å; G132-A134 PolarHBondContact O-N 3.08Å; G132-C135 WeakPolarHBondContact O-CB 3.36Å; G132-C135 PolarHBondContact O-N 3.19Å; G132-K136 PolarHBondContact O-N 3.23Å; G132-Y174 VanDerWaalsContact CA-CD1 3.46Å; G132-F193 VanDerWaalsContact O-CE2 3.25Å; G132-F193 WeakPolarHBondContact O-CE2 3.44Å |
| 133 | L | 89.3 | Confident | 85.6 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 178.1 | 180 | 67 | 0 | 0 | 0 | 112.2 | S55 S129 C135 K136 E137 | S55-L133 WeakPolarHBondContact OG-CD2 3.33Å; S129-L133 WeakPolarHBondContact O-CB 3.41Å; S129-L133 PolarHBondContact O-N 3.28Å; L133-C135 VanDerWaalsContact C-N 3.29Å; L133-C135 PolarHBondContact O-N 3.41Å; L133-K136 PolarHBondContact O-N 3.39Å; L133-E137 HydrophobicContact CD1-CG 4.03Å; L133-E137 HydrophobicContact CG-CG 4.33Å; L133-E137 PolarHBondContact O-N 2.93Å |
| 134 | A | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I58 F120 L130 G132 L138 | I58-A134 HydrophobicContact CD1-CB 4.09Å; I58-A134 HydrophobicContact CG2-CB 4.44Å; F120-A134 HydrophobicContact CE2-CB 4.19Å; F120-A134 HydrophobicContact CZ-CB 3.61Å; L130-A134 VanDerWaalsContact O-CB 3.26Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.11Å; G132-A134 PolarHBondContact O-N 3.08Å; A134-L138 VanDerWaalsContact O-CB 3.25Å; A134-L138 WeakPolarHBondContact O-CB 3.16Å; A134-L138 WeakPolarHBondContact O-CD1 3.36Å; A134-L138 WeakPolarHBondContact O-CG 3.36Å; A134-L138 PolarHBondContact O-N 2.87Å |
| 135 | C | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 176.1 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | F131 G132 L133 E137 L138 M139 I163 I171 | F131-C135 WeakPolarHBondContact O-CB 3.5Å; F131-C135 PolarHBondContact O-N 3.23Å; G132-C135 WeakPolarHBondContact O-CB 3.36Å; G132-C135 PolarHBondContact O-N 3.19Å; L133-C135 VanDerWaalsContact C-N 3.29Å; L133-C135 PolarHBondContact O-N 3.41Å; C135-E137 PolarHBondContact O-N 2.93Å; C135-L138 PolarHBondContact O-N 3.05Å; C135-M139 WeakPolarHBondContact O-CB 3.24Å; C135-M139 WeakPolarHBondContact O-CG 3.4Å; C135-M139 PolarHBondContact O-N 3.05Å; C135-I163 HydrophobicContact CB-CG2 4.45Å; C135-I171 HydrophobicContact CB-CD1 4.22Å |
| 136 | K | 92.4 | Very high | 89.3 | Confident | 37 Ų | 37 | 19.8 Ų | 19.8 | 16% | 0.161 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 178.3 | 178.2 | -176 | 173 | -175.3 | 0 | 111.6 | G132 L133 M139 S140 D189 F193 | G132-K136 PolarHBondContact O-N 3.23Å; L133-K136 PolarHBondContact O-N 3.39Å; K136-M139 PolarHBondContact O-N 3.22Å; K136-S140 PolarHBondContact O-N 3.37Å; K136-S140 VanDerWaalsContact O-N 3.08Å; K136-S140 PolarHBondContact O-OG 3.48Å; K136-D189 WeakPolarHBondContact CE-OD2 3.35Å; K136-D189 IonicContact NZ-OD2 2.83Å; K136-D189 PolarHBondContact NZ-OD2 3.27Å; K136-F193 HydrophobicContact CB-CD2 4.24Å; K136-F193 HydrophobicContact CB-CE2 3.87Å; K136-F193 HydrophobicContact CD-CD2 4.4Å |
| 137 | E | 92.6 | Very high | 89.9 | Confident | 28 Ų | 28 | 21.4 Ų | 21.4 | 13% | 0.131 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | -177.5 | -71.6 | -53.4 | 145.5 | 0 | 0 | 112.1 | I58 V62 K66 L133 C135 M139 S140 L141 | I58-E137 HydrophobicContact CG2-CB 4.24Å; I58-E137 HydrophobicContact CG2-CG 4.45Å; V62-E137 HydrophobicContact CB-CB 4.23Å; V62-E137 HydrophobicContact CG1-CB 4.04Å; V62-E137 WeakPolarHBondContact CG1-OE2 3.39Å; V62-E137 HydrophobicContact CG2-CB 4.02Å; K66-E137 IonicContact NZ-OE2 3.11Å; K66-E137 PolarHBondContact NZ-OE2 3.35Å; L133-E137 HydrophobicContact CD1-CG 4.03Å; L133-E137 HydrophobicContact CG-CG 4.33Å; L133-E137 PolarHBondContact O-N 2.93Å; C135-E137 PolarHBondContact O-N 2.93Å; E137-M139 PolarHBondContact O-N 2.98Å; E137-S140 PolarHBondContact O-N 2.83Å; E137-S140 PolarHBondContact O-OG 3.3Å; E137-L141 WeakPolarHBondContact O-CB 3.27Å; E137-L141 PolarHBondContact O-N 2.91Å |
| 138 | L | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.5 | -73.6 | 169.7 | 0 | 0 | 0 | 112.8 | F112 F113 I116 A134 C135 L141 A142 I156 F159 I163 | F112-L138 HydrophobicContact CE1-CD2 3.97Å; F113-L138 HydrophobicContact CD1-CD2 4.36Å; F113-L138 HydrophobicContact CE1-CD2 3.76Å; I116-L138 HydrophobicContact CD1-CD1 4.39Å; I116-L138 HydrophobicContact CD1-CD2 4.37Å; A134-L138 VanDerWaalsContact O-CB 3.25Å; A134-L138 WeakPolarHBondContact O-CB 3.16Å; A134-L138 WeakPolarHBondContact O-CD1 3.36Å; A134-L138 WeakPolarHBondContact O-CG 3.36Å; A134-L138 PolarHBondContact O-N 2.87Å; C135-L138 PolarHBondContact O-N 3.05Å; L138-L141 PolarHBondContact O-N 3.42Å; L138-A142 WeakPolarHBondContact O-CB 3.47Å; L138-A142 PolarHBondContact O-N 2.74Å; L138-I156 HydrophobicContact CD2-CG2 4.35Å; L138-I156 VanDerWaalsContact O-CG2 3.3Å; L138-I156 WeakPolarHBondContact O-CG2 3.36Å; L138-F159 HydrophobicContact CD1-CD1 3.72Å; L138-F159 HydrophobicContact CD1-CE1 3.85Å; L138-F159 HydrophobicContact CD2-CD1 4.22Å; L138-I163 HydrophobicContact CD1-CD1 3.4Å; L138-I163 VanDerWaalsContact CD1-CD1 3.4Å |
| 139 | M | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.7 | -39.1 | 179.4 | -61.1 | -68.6 | -98.1 | 0 | 0 | 111 | C135 K136 E137 A142 Q143 W157 M164 I197 I201 I243 | C135-M139 WeakPolarHBondContact O-CB 3.24Å; C135-M139 WeakPolarHBondContact O-CG 3.4Å; C135-M139 PolarHBondContact O-N 3.05Å; K136-M139 PolarHBondContact O-N 3.22Å; E137-M139 PolarHBondContact O-N 2.98Å; M139-A142 WeakPolarHBondContact O-CB 3.42Å; M139-A142 PolarHBondContact O-N 3.28Å; M139-Q143 PolarHBondContact O-N 3.22Å; M139-W157 HydrophobicContact CB-CZ3 4.17Å; M139-W157 HydrophobicContact CE-CE3 4.01Å; M139-W157 HydrophobicContact CE-CZ3 3.59Å; M139-W157 HydrophobicContact CG-CZ3 4.41Å; M139-W157 HydrophobicContact SD-CE3 3.61Å; M139-W157 HydrophobicContact SD-CZ3 3.46Å; M139-W157 WeakPolarHBondContact SD-CZ3 3.49Å; M139-M164 HydrophobicContact CE-CE 4.32Å; M139-I197 HydrophobicContact CE-CG2 4.09Å; M139-I201 HydrophobicContact CE-CD1 3.78Å; M139-I201 HydrophobicContact CE-CG1 3.89Å; M139-I243 HydrophobicContact CE-CG2 3.71Å |
| 140 | S | 94.3 | Very high | 91 | Very high | 22 Ų | 22 | 16 Ų | 16 | 15% | 0.154 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.3 | -32.8 | 174.1 | 69.4 | 0 | 0 | 0 | 0 | 113 | K66 K136 E137 V144 | K66-S140 WeakPolarHBondContact CE-OG 3.45Å; K66-S140 PolarHBondContact NZ-OG 3.43Å; K136-S140 PolarHBondContact O-N 3.37Å; K136-S140 VanDerWaalsContact O-N 3.08Å; K136-S140 PolarHBondContact O-OG 3.48Å; E137-S140 PolarHBondContact O-N 2.83Å; E137-S140 PolarHBondContact O-OG 3.3Å; S140-V144 PolarHBondContact O-N 3.38Å |
| 141 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 171.1 | -179.4 | 65.1 | 0 | 0 | 0 | 111.2 | V62 L65 K66 Y69 E137 L138 Q143 V144 A145 I156 | V62-L141 HydrophobicContact CG1-CB 3.97Å; V62-L141 HydrophobicContact CG1-CD1 4.45Å; V62-L141 HydrophobicContact CG2-CD2 4.35Å; L65-L141 HydrophobicContact CB-CD1 3.65Å; L65-L141 HydrophobicContact CB-CD2 4.33Å; L65-L141 HydrophobicContact CD1-CD2 3.75Å; K66-L141 HydrophobicContact CB-CD1 4.47Å; K66-L141 HydrophobicContact CG-CD1 3.7Å; Y69-L141 HydrophobicContact CD2-CD1 3.77Å; Y69-L141 HydrophobicContact CE2-CD1 3.57Å; Y69-L141 HydrophobicContact CE2-CG 4.06Å; E137-L141 WeakPolarHBondContact O-CB 3.27Å; E137-L141 PolarHBondContact O-N 2.91Å; L138-L141 PolarHBondContact O-N 3.42Å; L141-Q143 VanDerWaalsContact C-N 3.31Å; L141-Q143 PolarHBondContact O-N 3.39Å; L141-V144 PolarHBondContact O-N 3.33Å; L141-V144 VanDerWaalsContact O-N 3.15Å; L141-A145 PolarHBondContact O-N 3.43Å; L141-I156 HydrophobicContact CB-CG2 4.48Å; L141-I156 HydrophobicContact CD2-CD1 4.07Å; L141-I156 HydrophobicContact CD2-CG2 4.34Å; L141-I156 HydrophobicContact CG-CD1 3.91Å; L141-I156 HydrophobicContact CG-CG2 4.47Å |
| 142 | A | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L138 M139 V144 A145 D146 I156 W157 | L138-A142 WeakPolarHBondContact O-CB 3.47Å; L138-A142 PolarHBondContact O-N 2.74Å; M139-A142 WeakPolarHBondContact O-CB 3.42Å; M139-A142 PolarHBondContact O-N 3.28Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 3.44Å; A142-A145 WeakPolarHBondContact O-CB 3.45Å; A142-A145 PolarHBondContact O-N 2.93Å; A142-D146 VanDerWaalsContact O-CG 3.23Å; A142-D146 PolarHBondContact O-N 3.09Å; A142-I156 HydrophobicContact CB-CB 3.72Å; A142-I156 HydrophobicContact CB-CG2 3.64Å; A142-W157 HydrophobicContact CB-CD2 3.5Å; A142-W157 HydrophobicContact CB-CE3 4.03Å; A142-W157 HydrophobicContact CB-CG 3.84Å; A142-W157 HydrophobicContact CB-CH2 4.17Å; A142-W157 HydrophobicContact CB-CZ2 3.66Å; A142-W157 HydrophobicContact CB-CZ3 4.34Å |
| 143 | Q | 94.8 | Very high | 91.2 | Very high | 38 Ų | 38 | 19.5 Ų | 19.5 | 18% | 0.178 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 174.2 | -172 | -156.9 | -32.2 | 0 | 0 | 112.7 | M139 L141 D146 W157 S200 Y203 | M139-Q143 PolarHBondContact O-N 3.22Å; L141-Q143 VanDerWaalsContact C-N 3.31Å; L141-Q143 PolarHBondContact O-N 3.39Å; Q143-D146 PolarHBondContact O-N 2.93Å; Q143-W157 HydrophobicContact CB-CZ2 4.41Å; Q143-S200 VanDerWaalsContact OE1-CA 3.28Å; Q143-S200 PolarHBondContact OE1-OG 3.03Å; Q143-Y203 HydrophobicContact CG-CD1 3.42Å; Q143-Y203 VanDerWaalsContact CG-CD1 3.42Å; Q143-Y203 HydrophobicContact CG-CE1 4.12Å; Q143-Y203 HydrophobicContact CG-CG 4.04Å |
| 144 | V | 91.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 20.9 Ų | 20.9 | 21% | 0.212 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69 | -39.6 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | K66 S140 L141 A142 D146 N147 | K66-V144 HydrophobicContact CG-CB 4.49Å; K66-V144 HydrophobicContact CG-CG2 4.16Å; S140-V144 PolarHBondContact O-N 3.38Å; L141-V144 PolarHBondContact O-N 3.33Å; L141-V144 VanDerWaalsContact O-N 3.15Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 3.44Å; V144-D146 VanDerWaalsContact C-N 3.25Å; V144-D146 PolarHBondContact O-N 3.29Å; V144-N147 WeakPolarHBondContact O-CB 3.16Å; V144-N147 PolarHBondContact O-N 3.29Å |
| 145 | A | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -27 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y69 L141 A142 N147 L148 G149 L152 I156 | Y69-A145 HydrophobicContact CD2-CB 3.91Å; Y69-A145 HydrophobicContact CE2-CB 3.86Å; L141-A145 PolarHBondContact O-N 3.43Å; A142-A145 WeakPolarHBondContact O-CB 3.45Å; A142-A145 PolarHBondContact O-N 2.93Å; A145-N147 PolarHBondContact O-N 3.33Å; A145-N147 VanDerWaalsContact O-N 3.13Å; A145-L148 PolarHBondContact O-N 2.89Å; A145-G149 PolarHBondContact O-N 2.95Å; A145-L152 HydrophobicContact CB-CB 4.49Å; A145-I156 HydrophobicContact CB-CD1 3.68Å |
| 146 | D | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.7 | 177.4 | -68.2 | -40.6 | 0 | 0 | 0 | 113.3 | A142 Q143 V144 S153 W157 S204 H207 Y208 | A142-D146 VanDerWaalsContact O-CG 3.23Å; A142-D146 PolarHBondContact O-N 3.09Å; Q143-D146 PolarHBondContact O-N 2.93Å; V144-D146 VanDerWaalsContact C-N 3.25Å; V144-D146 PolarHBondContact O-N 3.29Å; D146-S153 WeakPolarHBondContact OD1-CB 3.4Å; D146-S153 PolarHBondContact OD1-OG 3.41Å; D146-W157 PolarHBondContact OD1-NE1 2.86Å; D146-W157 VanDerWaalsContact OD1-NE1 3.07Å; D146-W157 PolarHBondContact OD2-NE1 3.05Å; D146-S204 WeakPolarHBondContact OD2-CB 3.28Å; D146-S204 PolarHBondContact OD2-OG 3.47Å; D146-H207 PolarHBondContact O-NE2 3.23Å; D146-Y208 HydrophobicContact CB-CE2 4.01Å; D146-Y208 VanDerWaalsContact OD1-CE2 3.27Å; D146-Y208 WeakPolarHBondContact OD1-CE2 3.35Å; D146-Y208 PolarHBondContact OD1-OH 3.48Å; D146-Y208 VanDerWaalsContact OD1-OH 3.09Å |
| 147 | N | 87.9 | Confident | 91.9 | Very high | 66 Ų | 66 | 20.8 Ų | 20.8 | 35% | 0.353 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -31.5 | 174.2 | -67 | -27.6 | 0 | 0 | 0 | 112.5 | V144 A145 | V144-N147 WeakPolarHBondContact O-CB 3.16Å; V144-N147 PolarHBondContact O-N 3.29Å; A145-N147 PolarHBondContact O-N 3.33Å; A145-N147 VanDerWaalsContact O-N 3.13Å |
| 148 | L | 85.8 | Confident | 92.1 | Very high | 41 Ų | 41 | 25 Ų | 25 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -35.4 | 179.9 | -65.2 | 175.7 | 0 | 0 | 0 | 112.9 | Y69 L102 A145 L152 | Y69-L148 HydrophobicContact CD1-CD1 3.71Å; Y69-L148 HydrophobicContact CG-CD1 3.78Å; L102-L148 HydrophobicContact CD2-CD1 4.49Å; A145-L148 PolarHBondContact O-N 2.89Å; L148-L152 HydrophobicContact CB-CD1 3.95Å; L148-L152 HydrophobicContact CD1-CD1 4.06Å |
| 149 | G | 84.3 | Confident | 92.2 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 7% | 0.072 | 15% | 0.145 | C | C | . | . | trans | 148.2 | 160.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A145 S151 L152 S153 | A145-G149 PolarHBondContact O-N 2.95Å; G149-S151 PolarHBondContact O-N 3.1Å; G149-L152 PolarHBondContact O-N 3.05Å; G149-S153 PolarHBondContact O-N 3.3Å; G149-S153 PolarHBondContact O-OG 3.32Å | ||
| 150 | E | 85.2 | Confident | 92.1 | Very high | 35 Ų | 35 | 26.8 Ų | 26.8 | 16% | 0.164 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -27.8 | 180 | 65.5 | -88.3 | -159.8 | 0 | 0 | 113.6 | L152 S153 L154 N232 M236 | E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.11Å; E150-S153 PolarHBondContact O-N 3.22Å; E150-L154 WeakPolarHBondContact O-CB 3.39Å; E150-L154 PolarHBondContact O-N 2.9Å; E150-N232 HydrophobicContact CG-CB 3.88Å; E150-N232 WeakPolarHBondContact OE1-CB 3.16Å; E150-N232 PolarHBondContact OE1-ND2 3.11Å; E150-M236 HydrophobicContact CB-CG 3.73Å; E150-M236 HydrophobicContact CB-SD 4.25Å |
| 151 | S | 86 | Confident | 92.2 | Very high | 77 Ų | 77 | 26.8 Ų | 26.8 | 54% | 0.538 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.6 | -35.5 | -177.3 | 56.5 | 0 | 0 | 0 | 0 | 112 | G149 P155 | G149-S151 PolarHBondContact O-N 3.1Å; S151-P155 WeakPolarHBondContact O-CD 3.42Å |
| 152 | L | 88.1 | Confident | 92.2 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -82.9 | -47.8 | 175.7 | -82.5 | 146.6 | 0 | 0 | 0 | 111.2 | Y69 L102 F106 Q109 A145 L148 G149 E150 P155 I156 | Y69-L152 HydrophobicContact CE1-CD2 4.21Å; L102-L152 HydrophobicContact CD2-CD1 3.98Å; F106-L152 HydrophobicContact CB-CD2 4.15Å; F106-L152 HydrophobicContact CD2-CD2 4.34Å; Q109-L152 PolarHBondContact NE2-O 3.19Å; Q109-L152 PolarHBondContact OE1-O 3.14Å; A145-L152 HydrophobicContact CB-CB 4.49Å; L148-L152 HydrophobicContact CB-CD1 3.95Å; L148-L152 HydrophobicContact CD1-CD1 4.06Å; G149-L152 PolarHBondContact O-N 3.05Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.11Å; L152-P155 WeakPolarHBondContact O-CD 3.43Å; L152-I156 WeakPolarHBondContact O-CG1 3.33Å |
| 153 | S | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77 | -35.4 | -170.4 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | D146 G149 E150 I156 W157 Y208 | D146-S153 WeakPolarHBondContact OD1-CB 3.4Å; D146-S153 PolarHBondContact OD1-OG 3.41Å; G149-S153 PolarHBondContact O-N 3.3Å; G149-S153 PolarHBondContact O-OG 3.32Å; E150-S153 PolarHBondContact O-N 3.22Å; S153-I156 WeakPolarHBondContact O-CB 3.21Å; S153-I156 PolarHBondContact O-N 3.1Å; S153-W157 VanDerWaalsContact O-CD1 3.24Å; S153-W157 PolarHBondContact O-N 3.49Å; S153-Y208 PolarHBondContact OG-OH 2.94Å |
| 154 | L | 94.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -52.9 | -49.1 | -180 | 173.2 | 65.7 | 0 | 0 | 0 | 113.2 | E150 I156 W157 K158 M236 L239 | E150-L154 WeakPolarHBondContact O-CB 3.39Å; E150-L154 PolarHBondContact O-N 2.9Å; L154-I156 VanDerWaalsContact C-N 3.32Å; L154-I156 PolarHBondContact O-N 2.89Å; L154-W157 PolarHBondContact O-N 3.15Å; L154-K158 HydrophobicContact CD1-CD 4.1Å; L154-K158 HydrophobicContact CD1-CG 4.3Å; L154-K158 HydrophobicContact CG-CD 4.27Å; L154-K158 WeakPolarHBondContact O-CB 3.49Å; L154-K158 WeakPolarHBondContact O-CG 3.32Å; L154-K158 PolarHBondContact O-N 3.12Å; L154-M236 HydrophobicContact CB-SD 3.74Å; L154-M236 HydrophobicContact CD1-SD 3.7Å; L154-M236 HydrophobicContact CG-SD 4.28Å; L154-L239 HydrophobicContact CD1-CD2 3.36Å |
| 155 | P | 94.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 22% | 0.221 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -36.6 | 174.6 | -6.5 | 5.6 | 0 | 0 | 0 | 113.6 | F106 F113 S151 L152 K158 F159 | F106-P155 HydrophobicContact CE2-CG 3.58Å; F106-P155 HydrophobicContact CZ-CG 4.23Å; F113-P155 HydrophobicContact CE2-CB 4.23Å; S151-P155 WeakPolarHBondContact O-CD 3.42Å; L152-P155 WeakPolarHBondContact O-CD 3.43Å; P155-K158 PolarHBondContact O-N 2.9Å; P155-F159 VanDerWaalsContact O-CB 3.26Å; P155-F159 WeakPolarHBondContact O-CB 3.43Å; P155-F159 PolarHBondContact O-N 3.18Å |
| 156 | I | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -48.1 | 178.7 | -38.1 | -168.3 | 0 | 0 | 0 | 110.2 | Y69 Q109 F113 L138 L141 A142 A145 L152 S153 L154 K158 F159 G160 | Y69-I156 HydrophobicContact CE2-CD1 4.07Å; Q109-I156 HydrophobicContact CG-CG1 4.45Å; Q109-I156 VanDerWaalsContact NE2-CG1 3.34Å; F113-I156 HydrophobicContact CE1-CG2 4.49Å; F113-I156 HydrophobicContact CZ-CB 4.08Å; F113-I156 HydrophobicContact CZ-CG1 3.92Å; F113-I156 HydrophobicContact CZ-CG2 4.04Å; L138-I156 HydrophobicContact CD2-CG2 4.35Å; L138-I156 VanDerWaalsContact O-CG2 3.3Å; L138-I156 WeakPolarHBondContact O-CG2 3.36Å; L141-I156 HydrophobicContact CB-CG2 4.48Å; L141-I156 HydrophobicContact CD2-CD1 4.07Å; L141-I156 HydrophobicContact CD2-CG2 4.34Å; L141-I156 HydrophobicContact CG-CD1 3.91Å; L141-I156 HydrophobicContact CG-CG2 4.47Å; A142-I156 HydrophobicContact CB-CB 3.72Å; A142-I156 HydrophobicContact CB-CG2 3.64Å; A145-I156 HydrophobicContact CB-CD1 3.68Å; L152-I156 WeakPolarHBondContact O-CG1 3.33Å; S153-I156 WeakPolarHBondContact O-CB 3.21Å; S153-I156 PolarHBondContact O-N 3.1Å; L154-I156 VanDerWaalsContact C-N 3.32Å; L154-I156 PolarHBondContact O-N 2.89Å; I156-K158 VanDerWaalsContact C-N 3.34Å; I156-K158 PolarHBondContact O-N 3.1Å; I156-F159 PolarHBondContact O-N 3.48Å; I156-G160 PolarHBondContact O-N 2.79Å |
| 157 | W | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 176.5 | -76.4 | 115.7 | 0 | 0 | 0 | 112.1 | M139 A142 Q143 D146 S153 L154 S161 I201 S204 M236 L239 L240 I243 | M139-W157 HydrophobicContact CB-CZ3 4.17Å; M139-W157 HydrophobicContact CE-CE3 4.01Å; M139-W157 HydrophobicContact CE-CZ3 3.59Å; M139-W157 HydrophobicContact CG-CZ3 4.41Å; M139-W157 HydrophobicContact SD-CE3 3.61Å; M139-W157 HydrophobicContact SD-CZ3 3.46Å; M139-W157 WeakPolarHBondContact SD-CZ3 3.49Å; A142-W157 HydrophobicContact CB-CD2 3.5Å; A142-W157 HydrophobicContact CB-CE3 4.03Å; A142-W157 HydrophobicContact CB-CG 3.84Å; A142-W157 HydrophobicContact CB-CH2 4.17Å; A142-W157 HydrophobicContact CB-CZ2 3.66Å; A142-W157 HydrophobicContact CB-CZ3 4.34Å; Q143-W157 HydrophobicContact CB-CZ2 4.41Å; D146-W157 PolarHBondContact OD1-NE1 2.86Å; D146-W157 VanDerWaalsContact OD1-NE1 3.07Å; D146-W157 PolarHBondContact OD2-NE1 3.05Å; S153-W157 VanDerWaalsContact O-CD1 3.24Å; S153-W157 PolarHBondContact O-N 3.49Å; L154-W157 PolarHBondContact O-N 3.15Å; W157-S161 WeakPolarHBondContact O-CB 3.18Å; W157-S161 PolarHBondContact O-N 2.69Å; W157-S161 PolarHBondContact O-OG 3.41Å; W157-I201 HydrophobicContact CH2-CG1 4.06Å; W157-I201 HydrophobicContact CZ3-CG1 3.73Å; W157-S204 VanDerWaalsContact CZ2-OG 3.3Å; W157-S204 WeakPolarHBondContact CZ2-OG 3.46Å; W157-M236 HydrophobicContact CG-CE 4.49Å; W157-L239 HydrophobicContact CB-CD2 4.07Å; W157-L240 HydrophobicContact CD2-CD2 3.56Å; W157-L240 HydrophobicContact CE3-CD2 3.87Å; W157-L240 HydrophobicContact CG-CD2 4.06Å; W157-L240 HydrophobicContact CH2-CD2 4.17Å; W157-L240 HydrophobicContact CZ2-CD2 3.87Å; W157-L240 HydrophobicContact CZ3-CD2 4.16Å; W157-I243 HydrophobicContact CB-CD1 4.12Å; W157-I243 HydrophobicContact CE3-CD1 4.22Å |
| 158 | K | 96.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 40 Ų | 40 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.3 | -78.5 | 177.8 | 172.4 | 168.9 | 0 | 112.2 | L154 P155 I156 S161 S162 L239 | L154-K158 HydrophobicContact CD1-CD 4.1Å; L154-K158 HydrophobicContact CD1-CG 4.3Å; L154-K158 HydrophobicContact CG-CD 4.27Å; L154-K158 WeakPolarHBondContact O-CB 3.49Å; L154-K158 WeakPolarHBondContact O-CG 3.32Å; L154-K158 PolarHBondContact O-N 3.12Å; P155-K158 PolarHBondContact O-N 2.9Å; I156-K158 VanDerWaalsContact C-N 3.34Å; I156-K158 PolarHBondContact O-N 3.1Å; K158-S161 PolarHBondContact O-OG 2.97Å; K158-S161 VanDerWaalsContact O-OG 3.12Å; K158-S162 VanDerWaalsContact O-CB 3.28Å; K158-S162 WeakPolarHBondContact O-CB 3.45Å; K158-S162 PolarHBondContact O-N 3.31Å; K158-L239 HydrophobicContact CG-CD2 4.2Å |
| 159 | F | 96.1 | Very high | 92.7 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.9 | -48.9 | -179.2 | -173.7 | -117.5 | 0 | 0 | 0 | 111.8 | F113 I116 K117 L138 P155 I156 S161 S162 I163 | F113-F159 HydrophobicContact CB-CD1 4.19Å; F113-F159 HydrophobicContact CB-CE1 3.99Å; F113-F159 HydrophobicContact CB-CE2 4.36Å; F113-F159 HydrophobicContact CB-CG 4.47Å; F113-F159 HydrophobicContact CB-CZ 4.08Å; F113-F159 AromaticContact CD1-CD1 3.49Å; F113-F159 HydrophobicContact CD1-CD1 3.49Å; F113-F159 VanDerWaalsContact CD1-CD1 3.49Å; F113-F159 AromaticContact CD1-CE1 3.69Å; F113-F159 HydrophobicContact CD1-CE1 3.69Å; F113-F159 HydrophobicContact CD1-CG 4.27Å; F113-F159 HydrophobicContact CD2-CB 4.24Å; F113-F159 HydrophobicContact CD2-CD1 4.18Å; F113-F159 HydrophobicContact CD2-CG 4.14Å; F113-F159 AromaticContact CE1-CD1 3.81Å; F113-F159 HydrophobicContact CE1-CD1 3.81Å; F113-F159 HydrophobicContact CE1-CE1 4.38Å; F113-F159 HydrophobicContact CE2-CB 4.1Å; F113-F159 HydrophobicContact CE2-CD1 4.42Å; F113-F159 HydrophobicContact CE2-CG 4.41Å; F113-F159 AromaticContact CG-CD1 3.7Å; F113-F159 HydrophobicContact CG-CD1 3.7Å; F113-F159 AromaticContact CG-CE1 3.93Å; F113-F159 HydrophobicContact CG-CE1 3.93Å; F113-F159 HydrophobicContact CG-CG 4.06Å; F113-F159 HydrophobicContact CG-CZ 4.47Å; F113-F159 HydrophobicContact CZ-CB 4.35Å; F113-F159 HydrophobicContact CZ-CD1 4.25Å; I116-F159 HydrophobicContact CB-CE1 4.13Å; I116-F159 HydrophobicContact CB-CZ 4.04Å; I116-F159 HydrophobicContact CD1-CE1 4.16Å; I116-F159 HydrophobicContact CG2-CE1 3.98Å; I116-F159 HydrophobicContact CG2-CZ 3.83Å; K117-F159 HydrophobicContact CB-CE2 4.49Å; L138-F159 HydrophobicContact CD1-CD1 3.72Å; L138-F159 HydrophobicContact CD1-CE1 3.85Å; L138-F159 HydrophobicContact CD2-CD1 4.22Å; P155-F159 VanDerWaalsContact O-CB 3.26Å; P155-F159 WeakPolarHBondContact O-CB 3.43Å; P155-F159 PolarHBondContact O-N 3.18Å; I156-F159 PolarHBondContact O-N 3.48Å; F159-S161 PolarHBondContact O-N 3.36Å; F159-S162 WeakPolarHBondContact O-CB 3.33Å; F159-S162 PolarHBondContact O-N 3.06Å; F159-S162 VanDerWaalsContact O-N 3.17Å; F159-I163 HydrophobicContact CD1-CD1 4Å; F159-I163 HydrophobicContact CE1-CD1 3.62Å; F159-I163 HydrophobicContact CE2-CD1 4.39Å; F159-I163 HydrophobicContact CZ-CD1 3.84Å; F159-I163 PolarHBondContact O-N 3.36Å |
| 160 | G | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I156 S162 I163 M164 | I156-G160 PolarHBondContact O-N 2.79Å; G160-S162 VanDerWaalsContact C-N 3.33Å; G160-S162 PolarHBondContact O-N 2.7Å; G160-I163 PolarHBondContact O-N 3.46Å; G160-M164 PolarHBondContact O-N 2.89Å |
| 161 | S | 95.6 | Very high | 93.2 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 16% | 0.161 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | 175.6 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | W157 K158 F159 M164 K165 | W157-S161 WeakPolarHBondContact O-CB 3.18Å; W157-S161 PolarHBondContact O-N 2.69Å; W157-S161 PolarHBondContact O-OG 3.41Å; K158-S161 PolarHBondContact O-OG 2.97Å; K158-S161 VanDerWaalsContact O-OG 3.12Å; F159-S161 PolarHBondContact O-N 3.36Å; S161-M164 PolarHBondContact O-N 3.04Å; S161-K165 WeakPolarHBondContact O-CB 3.47Å; S161-K165 PolarHBondContact O-N 3.4Å |
| 162 | S | 95.2 | Very high | 93.4 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | K158 F159 G160 M164 K165 Q166 | K158-S162 VanDerWaalsContact O-CB 3.28Å; K158-S162 WeakPolarHBondContact O-CB 3.45Å; K158-S162 PolarHBondContact O-N 3.31Å; F159-S162 WeakPolarHBondContact O-CB 3.33Å; F159-S162 PolarHBondContact O-N 3.06Å; F159-S162 VanDerWaalsContact O-N 3.17Å; G160-S162 VanDerWaalsContact C-N 3.33Å; G160-S162 PolarHBondContact O-N 2.7Å; S162-M164 VanDerWaalsContact C-N 3.34Å; S162-K165 PolarHBondContact O-N 3.37Å; S162-Q166 VanDerWaalsContact O-CB 3.29Å; S162-Q166 WeakPolarHBondContact O-CB 3.44Å; S162-Q166 PolarHBondContact O-N 3.46Å |
| 163 | I | 92.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.1 | -70.8 | 165.5 | 0 | 0 | 0 | 109.7 | I116 F120 C135 L138 F159 G160 K165 Q166 F167 | I116-I163 HydrophobicContact CG2-CD1 4.21Å; F120-I163 HydrophobicContact CD2-CD1 4.43Å; F120-I163 HydrophobicContact CD2-CG1 4.35Å; F120-I163 HydrophobicContact CE2-CD1 3.95Å; F120-I163 HydrophobicContact CE2-CG1 4.13Å; F120-I163 HydrophobicContact CE2-CG2 3.96Å; C135-I163 HydrophobicContact CB-CG2 4.45Å; L138-I163 HydrophobicContact CD1-CD1 3.4Å; L138-I163 VanDerWaalsContact CD1-CD1 3.4Å; F159-I163 HydrophobicContact CD1-CD1 4Å; F159-I163 HydrophobicContact CE1-CD1 3.62Å; F159-I163 HydrophobicContact CE2-CD1 4.39Å; F159-I163 HydrophobicContact CZ-CD1 3.84Å; F159-I163 PolarHBondContact O-N 3.36Å; G160-I163 PolarHBondContact O-N 3.46Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.47Å; I163-Q166 PolarHBondContact O-N 3.43Å; I163-F167 HydrophobicContact CG2-CD2 4.11Å; I163-F167 PolarHBondContact O-N 3.44Å |
| 164 | M | 94.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57 | -39.5 | 178.5 | -168.1 | 178.5 | 45.9 | 0 | 0 | 112.8 | M139 G160 S161 S162 K168 I171 I243 F246 C247 F251 | M139-M164 HydrophobicContact CE-CE 4.32Å; G160-M164 PolarHBondContact O-N 2.89Å; S161-M164 PolarHBondContact O-N 3.04Å; S162-M164 VanDerWaalsContact C-N 3.34Å; M164-K168 WeakPolarHBondContact O-CG 3.26Å; M164-I171 HydrophobicContact CB-CD1 4.31Å; M164-I171 HydrophobicContact CG-CD1 4.26Å; M164-I243 HydrophobicContact CE-CG2 3.9Å; M164-F246 HydrophobicContact CE-CD1 3.68Å; M164-F246 HydrophobicContact CE-CE1 3.97Å; M164-F246 HydrophobicContact CG-CE1 4.09Å; M164-F246 HydrophobicContact SD-CD1 4.49Å; M164-F246 HydrophobicContact SD-CE1 4.39Å; M164-C247 HydrophobicContact CE-CB 4.45Å; M164-C247 HydrophobicContact SD-CB 4.28Å; M164-F251 HydrophobicContact CG-CE2 3.83Å; M164-F251 HydrophobicContact CG-CZ 4.28Å; M164-F251 HydrophobicContact SD-CE2 4.08Å |
| 165 | K | 94.6 | Very high | 92.7 | Very high | 143 Ų | 143 | 44.8 Ų | 44.8 | 62% | 0.622 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -76.8 | -33.1 | 179.7 | -174.6 | -178.8 | 176.8 | -173.4 | 0 | 113.3 | S161 S162 I163 K168 F246 | S161-K165 WeakPolarHBondContact O-CB 3.47Å; S161-K165 PolarHBondContact O-N 3.4Å; S162-K165 PolarHBondContact O-N 3.37Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.47Å; K165-K168 VanDerWaalsContact O-CE 3.26Å; K165-K168 WeakPolarHBondContact O-CE 3.31Å; K165-K168 VanDerWaalsContact O-CG 3.29Å; K165-K168 WeakPolarHBondContact O-CG 3.46Å; K165-F246 HydrophobicContact CB-CE1 4.42Å; K165-F246 HydrophobicContact CB-CZ 4.16Å; K165-F246 HydrophobicContact CG-CE2 4.35Å; K165-F246 HydrophobicContact CG-CZ 4.22Å |
| 166 | Q | 92.1 | Very high | 92.2 | Very high | 136 Ų | 136 | 48.5 Ų | 48.5 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -79.3 | -40.1 | -177.2 | -176 | 174.6 | -2.7 | 0 | 0 | 111.9 | S162 I163 | S162-Q166 VanDerWaalsContact O-CB 3.29Å; S162-Q166 WeakPolarHBondContact O-CB 3.44Å; S162-Q166 PolarHBondContact O-N 3.46Å; I163-Q166 PolarHBondContact O-N 3.43Å |
| 167 | F | 91.7 | Very high | 91.5 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -111.5 | 45.4 | -171.9 | -58.5 | -74.7 | 0 | 0 | 0 | 112.4 | F120 A123 F131 I163 C169 E170 I171 | F120-F167 HydrophobicContact CB-CZ 4.33Å; F120-F167 AromaticContact CD2-CE2 3.89Å; F120-F167 HydrophobicContact CD2-CE2 3.89Å; F120-F167 HydrophobicContact CD2-CZ 4.42Å; A123-F167 HydrophobicContact CB-CE1 4.33Å; F131-F167 HydrophobicContact CB-CB 4.11Å; F131-F167 HydrophobicContact CD1-CB 4.02Å; F131-F167 AromaticContact CD1-CD1 3.7Å; F131-F167 HydrophobicContact CD1-CD1 3.7Å; F131-F167 AromaticContact CD1-CD2 3.64Å; F131-F167 HydrophobicContact CD1-CD2 3.64Å; F131-F167 HydrophobicContact CD1-CE1 4Å; F131-F167 AromaticContact CD1-CE2 3.95Å; F131-F167 HydrophobicContact CD1-CE2 3.95Å; F131-F167 AromaticContact CD1-CG 3.5Å; F131-F167 HydrophobicContact CD1-CG 3.5Å; F131-F167 VanDerWaalsContact CD1-CG 3.5Å; F131-F167 HydrophobicContact CD1-CZ 4.12Å; F131-F167 AromaticContact CE1-CD1 3.58Å; F131-F167 HydrophobicContact CE1-CD1 3.58Å; F131-F167 HydrophobicContact CE1-CD2 4.05Å; F131-F167 AromaticContact CE1-CE1 3.46Å; F131-F167 HydrophobicContact CE1-CE1 3.46Å; F131-F167 VanDerWaalsContact CE1-CE1 3.46Å; F131-F167 AromaticContact CE1-CE2 3.94Å; F131-F167 HydrophobicContact CE1-CE2 3.94Å; F131-F167 AromaticContact CE1-CG 3.87Å; F131-F167 HydrophobicContact CE1-CG 3.87Å; F131-F167 AromaticContact CE1-CZ 3.64Å; F131-F167 HydrophobicContact CE1-CZ 3.64Å; F131-F167 HydrophobicContact CG-CB 4.13Å; F131-F167 HydrophobicContact CG-CD1 4.32Å; F131-F167 HydrophobicContact CG-CG 4.09Å; F131-F167 HydrophobicContact CZ-CD1 4.12Å; F131-F167 HydrophobicContact CZ-CE1 4.03Å; I163-F167 HydrophobicContact CG2-CD2 4.11Å; I163-F167 PolarHBondContact O-N 3.44Å; F167-C169 VanDerWaalsContact C-N 3.33Å; F167-C169 PolarHBondContact O-N 3.27Å; F167-E170 WeakPolarHBondContact CA-OE2 3.49Å; F167-E170 HydrophobicContact CB-CB 4.3Å; F167-E170 PolarHBondContact O-N 3.09Å; F167-I171 WeakPolarHBondContact O-CB 3.49Å; F167-I171 WeakPolarHBondContact O-CD1 3.3Å; F167-I171 VanDerWaalsContact O-CG1 3.23Å; F167-I171 WeakPolarHBondContact O-CG1 3.4Å; F167-I171 PolarHBondContact O-N 3.39Å |
| 168 | K | 93.2 | Very high | 90.5 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -41.1 | -174.3 | -57 | 173.8 | 179.1 | -158.6 | 0 | 112.4 | M164 K165 R172 F246 E250 F251 | M164-K168 WeakPolarHBondContact O-CG 3.26Å; K165-K168 VanDerWaalsContact O-CE 3.26Å; K165-K168 WeakPolarHBondContact O-CE 3.31Å; K165-K168 VanDerWaalsContact O-CG 3.29Å; K165-K168 WeakPolarHBondContact O-CG 3.46Å; K168-R172 VanDerWaalsContact O-CB 3.29Å; K168-R172 WeakPolarHBondContact O-CB 3.44Å; K168-R172 PolarHBondContact O-N 2.89Å; K168-F246 HydrophobicContact CD-CZ 4.32Å; K168-F246 HydrophobicContact CG-CZ 4.37Å; K168-E250 HydrophobicContact CD-CG 3.94Å; K168-E250 HydrophobicContact CG-CG 4.31Å; K168-E250 IonicContact NZ-OE2 3.86Å; K168-E250 PolarHBondContact NZ-OE2 3.16Å; K168-F251 HydrophobicContact CB-CZ 4.39Å |
| 169 | C | 90.7 | Very high | 89.4 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | -176.5 | -69.3 | 0 | 0 | 0 | 0 | 111.1 | F167 R172 N173 | F167-C169 VanDerWaalsContact C-N 3.33Å; F167-C169 PolarHBondContact O-N 3.27Å; C169-R172 WeakPolarHBondContact O-CB 3.2Å; C169-R172 PolarHBondContact O-N 3.15Å; C169-N173 VanDerWaalsContact O-CG 3.28Å; C169-N173 PolarHBondContact O-N 3.05Å |
| 170 | E | 89.6 | Confident | 88.1 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 179.7 | -63 | 77.4 | -174.2 | 0 | 0 | 110.6 | P128 F131 F167 R172 N173 Y174 | P128-E170 HydrophobicContact CB-CB 4.07Å; F131-E170 HydrophobicContact CB-CB 4.21Å; F131-E170 HydrophobicContact CD2-CB 3.84Å; F131-E170 HydrophobicContact CD2-CG 3.96Å; F131-E170 HydrophobicContact CE2-CG 4.21Å; F131-E170 HydrophobicContact CG-CB 4.23Å; F167-E170 WeakPolarHBondContact CA-OE2 3.49Å; F167-E170 HydrophobicContact CB-CB 4.3Å; F167-E170 PolarHBondContact O-N 3.09Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.16Å; E170-N173 PolarHBondContact O-N 2.61Å; E170-Y174 PolarHBondContact O-N 2.9Å |
| 171 | I | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 175.9 | -70.8 | 169.5 | 0 | 0 | 0 | 111.2 | F131 C135 M164 F167 Y174 A175 F193 F194 F251 | F131-I171 HydrophobicContact CB-CG1 4.38Å; C135-I171 HydrophobicContact CB-CD1 4.22Å; M164-I171 HydrophobicContact CB-CD1 4.31Å; M164-I171 HydrophobicContact CG-CD1 4.26Å; F167-I171 WeakPolarHBondContact O-CB 3.49Å; F167-I171 WeakPolarHBondContact O-CD1 3.3Å; F167-I171 VanDerWaalsContact O-CG1 3.23Å; F167-I171 WeakPolarHBondContact O-CG1 3.4Å; F167-I171 PolarHBondContact O-N 3.39Å; I171-Y174 PolarHBondContact O-N 3.39Å; I171-A175 WeakPolarHBondContact O-CB 3.1Å; I171-A175 PolarHBondContact O-N 3.12Å; I171-F193 HydrophobicContact CG2-CE1 3.61Å; I171-F193 HydrophobicContact CG2-CZ 3.8Å; I171-F194 HydrophobicContact CG2-CZ 4.2Å; I171-F251 HydrophobicContact CB-CE1 4.49Å; I171-F251 HydrophobicContact CB-CZ 4.45Å; I171-F251 HydrophobicContact CG2-CE1 4.09Å; I171-F251 HydrophobicContact CG2-CZ 4.01Å |
| 172 | R | 90.2 | Very high | 84.5 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.2 | -177 | -178.9 | -68.8 | 141.1 | 4.6 | 111.8 | K168 C169 E170 A175 R176 E250 F251 E254 | K168-R172 VanDerWaalsContact O-CB 3.29Å; K168-R172 WeakPolarHBondContact O-CB 3.44Å; K168-R172 PolarHBondContact O-N 2.89Å; C169-R172 WeakPolarHBondContact O-CB 3.2Å; C169-R172 PolarHBondContact O-N 3.15Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.16Å; R172-A175 PolarHBondContact O-N 3.33Å; R172-R176 WeakPolarHBondContact O-CG 3.36Å; R172-R176 PolarHBondContact O-N 3.49Å; R172-R176 VanDerWaalsContact O-N 3.13Å; R172-E250 PolarHBondContact NH2-O 2.95Å; R172-E250 IonicContact NH2-OE1 3.21Å; R172-E250 PolarHBondContact NH2-OE1 3.09Å; R172-F251 HydrophobicContact CB-CE1 4.44Å; R172-E254 WeakPolarHBondContact CD-OE1 3.4Å; R172-E254 HydrophobicContact CG-CG 4.16Å; R172-E254 VanDerWaalsContact CG-OE1 3.24Å; R172-E254 WeakPolarHBondContact CG-OE1 3.42Å; R172-E254 IonicContact NE-OE1 3.55Å; R172-E254 IonicContact NE-OE2 3.09Å |
| 173 | N | 87.1 | Confident | 82.1 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 177.5 | -71.1 | -14.3 | 0 | 0 | 0 | 111.1 | P128 C169 E170 A175 R176 E177 | P128-N173 HydrophobicContact CB-CB 4.31Å; C169-N173 VanDerWaalsContact O-CG 3.28Å; C169-N173 PolarHBondContact O-N 3.05Å; E170-N173 PolarHBondContact O-N 2.61Å; N173-A175 PolarHBondContact O-N 2.94Å; N173-R176 PolarHBondContact O-N 2.94Å; N173-E177 WeakPolarHBondContact O-CG 3.28Å; N173-E177 PolarHBondContact O-N 3.37Å |
| 174 | Y | 87 | Confident | 79.7 | Confident | 39 Ų | 39 | 82 Ų | 82 | 15% | 0.153 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 175.2 | 178.2 | -115.6 | 0 | 0 | 0 | 112.4 | G132 E170 I171 R176 E177 T178 F193 | G132-Y174 VanDerWaalsContact CA-CD1 3.46Å; E170-Y174 PolarHBondContact O-N 2.9Å; I171-Y174 PolarHBondContact O-N 3.39Å; Y174-R176 VanDerWaalsContact C-N 3.28Å; Y174-R176 PolarHBondContact O-N 2.82Å; Y174-E177 PolarHBondContact O-N 3.24Å; Y174-T178 HydrophobicContact CD1-CG2 4.35Å; Y174-T178 HydrophobicContact CD2-CG2 3.99Å; Y174-T178 HydrophobicContact CE1-CG2 4.01Å; Y174-T178 HydrophobicContact CE2-CG2 3.62Å; Y174-T178 HydrophobicContact CG-CG2 4.4Å; Y174-T178 WeakPolarHBondContact O-CG2 3.41Å; Y174-T178 PolarHBondContact O-N 3Å; Y174-T178 PolarHBondContact O-OG1 3.44Å; Y174-F193 AromaticContact CD1-CD2 3.78Å; Y174-F193 HydrophobicContact CD1-CD2 3.78Å; Y174-F193 AromaticContact CD1-CE2 3.73Å; Y174-F193 HydrophobicContact CD1-CE2 3.73Å; Y174-F193 HydrophobicContact CD1-CG 4.24Å; Y174-F193 HydrophobicContact CD1-CZ 4.15Å; Y174-F193 AromaticContact CE1-CD2 3.48Å; Y174-F193 HydrophobicContact CE1-CD2 3.48Å; Y174-F193 VanDerWaalsContact CE1-CD2 3.48Å; Y174-F193 AromaticContact CE1-CE2 3.63Å; Y174-F193 HydrophobicContact CE1-CE2 3.63Å; Y174-F193 HydrophobicContact CE1-CG 4.23Å; Y174-F193 HydrophobicContact CE1-CZ 4.5Å |
| 175 | A | 86.5 | Confident | 77.2 | Confident | 9 Ų | 9 | 85.7 Ų | 85.7 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I171 R172 N173 T178 S179 F193 F194 | I171-A175 WeakPolarHBondContact O-CB 3.1Å; I171-A175 PolarHBondContact O-N 3.12Å; R172-A175 PolarHBondContact O-N 3.33Å; N173-A175 PolarHBondContact O-N 2.94Å; A175-T178 WeakPolarHBondContact CA-OG1 3.43Å; A175-T178 PolarHBondContact O-N 2.83Å; A175-T178 PolarHBondContact O-OG1 3.49Å; A175-S179 WeakPolarHBondContact O-CB 3.25Å; A175-S179 PolarHBondContact O-N 3.23Å; A175-F193 HydrophobicContact CB-CD1 3.77Å; A175-F193 HydrophobicContact CB-CE1 4.35Å; A175-F194 HydrophobicContact CB-CD2 4.06Å; A175-F194 HydrophobicContact CB-CE2 3.46Å; A175-F194 VanDerWaalsContact CB-CE2 3.46Å; A175-F194 HydrophobicContact CB-CZ 4.28Å |
| 176 | R | 83.7 | Confident | 74.5 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 43% | 0.426 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 177.5 | -68.9 | 170.8 | -178.1 | -169.1 | -3.6 | 112.8 | R172 N173 Y174 S179 R180 E254 | R172-R176 WeakPolarHBondContact O-CG 3.36Å; R172-R176 PolarHBondContact O-N 3.49Å; R172-R176 VanDerWaalsContact O-N 3.13Å; N173-R176 PolarHBondContact O-N 2.94Å; Y174-R176 VanDerWaalsContact C-N 3.28Å; Y174-R176 PolarHBondContact O-N 2.82Å; R176-S179 PolarHBondContact O-N 3.28Å; R176-R180 WeakPolarHBondContact O-CB 3.48Å; R176-R180 WeakPolarHBondContact O-CG 3.48Å; R176-R180 PolarHBondContact O-N 3.39Å; R176-E254 HydrophobicContact CG-CG 4.49Å; R176-E254 IonicContact CZ-OE1 2.66Å; R176-E254 IonicContact NE-OE1 2.77Å; R176-E254 PolarHBondContact NE-OE1 2.9Å; R176-E254 VanDerWaalsContact NE-OE1 3.09Å; R176-E254 IonicContact NH2-OE1 2.91Å; R176-E254 PolarHBondContact NH2-OE1 3.3Å |
| 177 | E | 81.5 | Confident | 71.6 | Confident | 88 Ų | 88 | 90.2 Ų | 90.2 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 174.8 | -74.4 | 172.8 | -173.5 | 0 | 0 | 111.2 | N173 Y174 S179 R180 N181 | N173-E177 WeakPolarHBondContact O-CG 3.28Å; N173-E177 PolarHBondContact O-N 3.37Å; Y174-E177 PolarHBondContact O-N 3.24Å; E177-S179 VanDerWaalsContact C-N 3.26Å; E177-S179 PolarHBondContact O-N 3.42Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-N181 WeakPolarHBondContact O-CB 3.38Å; E177-N181 PolarHBondContact O-N 2.94Å |
| 178 | T | 77 | Confident | 69 | Low | 57 Ų | 57 | 96.9 Ų | 96.9 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | Y174 A175 | Y174-T178 HydrophobicContact CD1-CG2 4.35Å; Y174-T178 HydrophobicContact CD2-CG2 3.99Å; Y174-T178 HydrophobicContact CE1-CG2 4.01Å; Y174-T178 HydrophobicContact CE2-CG2 3.62Å; Y174-T178 HydrophobicContact CG-CG2 4.4Å; Y174-T178 WeakPolarHBondContact O-CG2 3.41Å; Y174-T178 PolarHBondContact O-N 3Å; Y174-T178 PolarHBondContact O-OG1 3.44Å; A175-T178 WeakPolarHBondContact CA-OG1 3.43Å; A175-T178 PolarHBondContact O-N 2.83Å; A175-T178 PolarHBondContact O-OG1 3.49Å |
| 179 | S | 73.9 | Confident | 66.8 | Low | 96 Ų | 96 | 97.5 Ų | 97.5 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -76.4 | -34.2 | 175.6 | 175.3 | 0 | 0 | 0 | 0 | 113.2 | A175 R176 E177 | A175-S179 WeakPolarHBondContact O-CB 3.25Å; A175-S179 PolarHBondContact O-N 3.23Å; R176-S179 PolarHBondContact O-N 3.28Å; E177-S179 VanDerWaalsContact C-N 3.26Å; E177-S179 PolarHBondContact O-N 3.42Å |
| 180 | R | 67.4 | Low | 64.8 | Low | 215 Ų | 215 | 99.8 Ų | 99.8 | 81% | 0.811 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -77.3 | -39.4 | 178.7 | -77.4 | 178.4 | 175.3 | -174.7 | -2 | 113.1 | R176 E177 G182 | R176-R180 WeakPolarHBondContact O-CB 3.48Å; R176-R180 WeakPolarHBondContact O-CG 3.48Å; R176-R180 PolarHBondContact O-N 3.39Å; E177-R180 PolarHBondContact O-N 2.88Å; R180-G182 PolarHBondContact O-N 2.89Å |
| 181 | N | 63.1 | Low | 63.6 | Low | 102 Ų | 102 | 101 Ų | 101 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -80.5 | 64.9 | 177.7 | -64.4 | -15.2 | 0 | 0 | 0 | 108.8 | E177 D183 | E177-N181 WeakPolarHBondContact O-CB 3.38Å; E177-N181 PolarHBondContact O-N 2.94Å; N181-D183 PolarHBondContact O-N 3.24Å |
| 182 | G | 51.9 | Low | 63.2 | Low | 54 Ų | 54 | 103.3 Ų | 103.3 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 112.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | R180 K184 | R180-G182 PolarHBondContact O-N 2.89Å; G182-K184 VanDerWaalsContact C-N 3.31Å; G182-K184 PolarHBondContact O-N 2.65Å |
| 183 | D | 46.1 | Very low | 63.2 | Low | 132 Ų | 132 | 101.1 Ų | 101.1 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 24.5 | 53.8 | 171.7 | -72.3 | -24.7 | 0 | 0 | 0 | 117.2 | N181 | N181-D183 PolarHBondContact O-N 3.24Š|
| 184 | K | 41.6 | Very low | 63.5 | Low | 201 Ų | 201 | 98 Ų | 98 | 87% | 0.874 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -114 | -7.8 | 169.8 | -75.5 | -171 | -177.9 | -178.1 | 0 | 115 | G182 | G182-K184 VanDerWaalsContact C-N 3.31Å; G182-K184 PolarHBondContact O-N 2.65Å |
| 185 | S | 41.2 | Very low | 63.8 | Low | 79 Ų | 79 | 96.2 Ų | 96.2 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -138 | 108.5 | 173.7 | 59.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 186 | F | 37 | Very low | 64 | Low | 196 Ų | 196 | 96.4 Ų | 96.4 | 86% | 0.86 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 88.6 | 76.2 | -175.5 | -60.7 | -84.7 | 0 | 0 | 0 | 115.9 | N188 | F186-N188 VanDerWaalsContact C-N 3.33Å; F186-N188 PolarHBondContact O-N 3.49Å |
| 187 | E | 32.6 | Very low | 64.6 | Low | 178 Ų | 178 | 91.1 Ų | 91.1 | 83% | 0.832 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 20.7 | -174 | -114.6 | 174.7 | -175.3 | 0 | 0 | 119.8 | ||
| 188 | N | 36.9 | Very low | 65.3 | Low | 156 Ų | 156 | 86.9 Ų | 86.9 | 83% | 0.834 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.9 | 9.8 | -171.9 | -89.1 | -42 | 0 | 0 | 0 | 119.8 | F186 P190 | F186-N188 VanDerWaalsContact C-N 3.33Å; F186-N188 PolarHBondContact O-N 3.49Å; N188-P190 WeakPolarHBondContact O-CD 3.36Å |
| 189 | D | 45.9 | Very low | 66.2 | Low | 68 Ų | 68 | 86.7 Ų | 86.7 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | trans | -114.6 | 92.9 | 173.6 | -160.6 | 5.8 | 0 | 0 | 0 | 111.5 | K136 K191 | K136-D189 WeakPolarHBondContact CE-OD2 3.35Å; K136-D189 IonicContact NZ-OD2 2.83Å; K136-D189 PolarHBondContact NZ-OD2 3.27Å; D189-K191 PolarHBondContact O-N 2.83Å | ||
| 190 | P | 50.2 | Low | 67.3 | Low | 122 Ų | 122 | 82.4 Ų | 82.4 | 79% | 0.792 | 43% | 0.426 | S | S | * | . | trans | -65.1 | 5.5 | 178.8 | 25.6 | -33.3 | 0 | 0 | 0 | 113.9 | N188 | N188-P190 WeakPolarHBondContact O-CD 3.36Š| ||
| 191 | K | 64 | Low | 68.7 | Low | 88 Ų | 88 | 72.1 Ų | 72.1 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -98.4 | 124.2 | -179.3 | -61.7 | 179.1 | -177.6 | 178.1 | 0 | 110.9 | D189 S196 Q263 | D189-K191 PolarHBondContact O-N 2.83Å; K191-S196 VanDerWaalsContact CB-OG 3.27Å; K191-S196 WeakPolarHBondContact CB-OG 3.19Å; K191-Q263 HydrophobicContact CG-CG 4.47Å |
| 192 | S | 82.3 | Confident | 70.3 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | trans | -54.6 | 150.9 | 169.4 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | F194 G195 S196 | S192-F194 PolarHBondContact O-N 3.12Å; S192-G195 WeakPolarHBondContact O-CA 3.31Å; S192-G195 PolarHBondContact O-N 3.39Å; S192-G195 PolarHBondContact OG-N 3.27Å; S192-G195 VanDerWaalsContact OG-N 3.14Å; S192-S196 PolarHBondContact O-N 2.79Å | ||
| 193 | F | 90.5 | Very high | 72.4 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -48.7 | -53.3 | -178.5 | 169.9 | -106.2 | 0 | 0 | 0 | 112.9 | G132 K136 I171 Y174 A175 S196 I197 | G132-F193 VanDerWaalsContact O-CE2 3.25Å; G132-F193 WeakPolarHBondContact O-CE2 3.44Å; K136-F193 HydrophobicContact CB-CD2 4.24Å; K136-F193 HydrophobicContact CB-CE2 3.87Å; K136-F193 HydrophobicContact CD-CD2 4.4Å; I171-F193 HydrophobicContact CG2-CE1 3.61Å; I171-F193 HydrophobicContact CG2-CZ 3.8Å; Y174-F193 AromaticContact CD1-CD2 3.78Å; Y174-F193 HydrophobicContact CD1-CD2 3.78Å; Y174-F193 AromaticContact CD1-CE2 3.73Å; Y174-F193 HydrophobicContact CD1-CE2 3.73Å; Y174-F193 HydrophobicContact CD1-CG 4.24Å; Y174-F193 HydrophobicContact CD1-CZ 4.15Å; Y174-F193 AromaticContact CE1-CD2 3.48Å; Y174-F193 HydrophobicContact CE1-CD2 3.48Å; Y174-F193 VanDerWaalsContact CE1-CD2 3.48Å; Y174-F193 AromaticContact CE1-CE2 3.63Å; Y174-F193 HydrophobicContact CE1-CE2 3.63Å; Y174-F193 HydrophobicContact CE1-CG 4.23Å; Y174-F193 HydrophobicContact CE1-CZ 4.5Å; A175-F193 HydrophobicContact CB-CD1 3.77Å; A175-F193 HydrophobicContact CB-CE1 4.35Å; F193-S196 PolarHBondContact O-N 2.64Å; F193-I197 HydrophobicContact CD1-CD1 4.33Å; F193-I197 HydrophobicContact CD2-CD1 4.4Å; F193-I197 HydrophobicContact CE1-CD1 3.65Å; F193-I197 HydrophobicContact CE2-CD1 3.75Å; F193-I197 HydrophobicContact CZ-CD1 3.34Å; F193-I197 PolarHBondContact O-N 2.74Å |
| 194 | F | 93.6 | Very high | 74.9 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.1 | -28.8 | 176.4 | -75.6 | -65.4 | 0 | 0 | 0 | 112.9 | I171 A175 S192 S196 I197 L198 F251 E254 I255 A264 | I171-F194 HydrophobicContact CG2-CZ 4.2Å; A175-F194 HydrophobicContact CB-CD2 4.06Å; A175-F194 HydrophobicContact CB-CE2 3.46Å; A175-F194 VanDerWaalsContact CB-CE2 3.46Å; A175-F194 HydrophobicContact CB-CZ 4.28Å; S192-F194 PolarHBondContact O-N 3.12Å; F194-S196 VanDerWaalsContact C-N 3.32Å; F194-S196 PolarHBondContact O-N 2.93Å; F194-I197 HydrophobicContact CD1-CD1 4.48Å; F194-I197 PolarHBondContact O-N 3.46Å; F194-L198 WeakPolarHBondContact O-CB 3.16Å; F194-L198 VanDerWaalsContact O-CG 3.26Å; F194-L198 WeakPolarHBondContact O-CG 3Å; F194-L198 PolarHBondContact O-N 3.44Å; F194-F251 HydrophobicContact CD1-CB 4.48Å; F194-F251 HydrophobicContact CE1-CB 3.75Å; F194-F251 HydrophobicContact CE1-CD1 4.17Å; F194-F251 AromaticContact CE1-CD2 3.61Å; F194-F251 HydrophobicContact CE1-CD2 3.61Å; F194-F251 HydrophobicContact CE1-CE2 4.23Å; F194-F251 AromaticContact CE1-CG 3.58Å; F194-F251 HydrophobicContact CE1-CG 3.58Å; F194-F251 HydrophobicContact CE2-CB 4.05Å; F194-F251 HydrophobicContact CE2-CD1 4.43Å; F194-F251 HydrophobicContact CE2-CG 4.31Å; F194-F251 HydrophobicContact CZ-CB 3.51Å; F194-F251 AromaticContact CZ-CD1 3.54Å; F194-F251 HydrophobicContact CZ-CD1 3.54Å; F194-F251 AromaticContact CZ-CD2 3.87Å; F194-F251 HydrophobicContact CZ-CD2 3.87Å; F194-F251 HydrophobicContact CZ-CE1 4.18Å; F194-F251 HydrophobicContact CZ-CE2 4.48Å; F194-F251 AromaticContact CZ-CG 3.35Å; F194-F251 HydrophobicContact CZ-CG 3.35Å; F194-E254 HydrophobicContact CD2-CB 3.83Å; F194-E254 HydrophobicContact CE2-CB 3.43Å; F194-E254 VanDerWaalsContact CE2-CB 3.43Å; F194-E254 HydrophobicContact CE2-CG 4.2Å; F194-E254 HydrophobicContact CZ-CB 4.43Å; F194-I255 HydrophobicContact CB-CG1 3.86Å; F194-I255 HydrophobicContact CD1-CD1 4.29Å; F194-I255 HydrophobicContact CD1-CG1 4.11Å; F194-I255 HydrophobicContact CD2-CG1 4.13Å; F194-I255 HydrophobicContact CG-CD1 4.44Å; F194-I255 HydrophobicContact CG-CG1 3.77Å; F194-A264 HydrophobicContact CB-CB 4.12Å |
| 195 | G | 92.5 | Very high | 77.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S192 N199 | S192-G195 WeakPolarHBondContact O-CA 3.31Å; S192-G195 PolarHBondContact O-N 3.39Å; S192-G195 PolarHBondContact OG-N 3.27Å; S192-G195 VanDerWaalsContact OG-N 3.14Å; G195-N199 WeakPolarHBondContact O-CB 3.31Å; G195-N199 PolarHBondContact O-N 3.04Å |
| 196 | S | 92.2 | Very high | 80 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.8 | -76.3 | 0 | 0 | 0 | 0 | 112.7 | K191 S192 F193 F194 N199 S200 | K191-S196 VanDerWaalsContact CB-OG 3.27Å; K191-S196 WeakPolarHBondContact CB-OG 3.19Å; S192-S196 PolarHBondContact O-N 2.79Å; F193-S196 PolarHBondContact O-N 2.64Å; F194-S196 VanDerWaalsContact C-N 3.32Å; F194-S196 PolarHBondContact O-N 2.93Å; S196-N199 PolarHBondContact O-N 2.82Å; S196-S200 PolarHBondContact O-N 2.95Å; S196-S200 VanDerWaalsContact O-N 3.07Å; S196-S200 PolarHBondContact O-OG 3.46Å |
| 197 | I | 95 | Very high | 82.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -49.6 | 179.3 | -69.4 | 175 | 0 | 0 | 0 | 111.4 | M139 F193 F194 N199 S200 I201 | M139-I197 HydrophobicContact CE-CG2 4.09Å; F193-I197 HydrophobicContact CD1-CD1 4.33Å; F193-I197 HydrophobicContact CD2-CD1 4.4Å; F193-I197 HydrophobicContact CE1-CD1 3.65Å; F193-I197 HydrophobicContact CE2-CD1 3.75Å; F193-I197 HydrophobicContact CZ-CD1 3.34Å; F193-I197 PolarHBondContact O-N 2.74Å; F194-I197 HydrophobicContact CD1-CD1 4.48Å; F194-I197 PolarHBondContact O-N 3.46Å; I197-N199 VanDerWaalsContact C-N 3.32Å; I197-N199 PolarHBondContact O-N 3.36Å; I197-S200 PolarHBondContact O-N 3.09Å; I197-I201 HydrophobicContact CG2-CD1 3.85Å; I197-I201 WeakPolarHBondContact O-CG1 3.28Å; I197-I201 PolarHBondContact O-N 2.83Å; I197-I201 VanDerWaalsContact O-N 3.09Å |
| 198 | L | 96.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | -179.7 | -67.3 | 177.7 | 0 | 0 | 0 | 110.7 | F194 S200 I201 V202 F244 C247 I248 I255 A264 T267 | F194-L198 WeakPolarHBondContact O-CB 3.16Å; F194-L198 VanDerWaalsContact O-CG 3.26Å; F194-L198 WeakPolarHBondContact O-CG 3Å; F194-L198 PolarHBondContact O-N 3.44Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.65Å; L198-I201 PolarHBondContact O-N 3.3Å; L198-V202 WeakPolarHBondContact O-CB 3.08Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.31Å; L198-V202 PolarHBondContact O-N 3.21Å; L198-F244 HydrophobicContact CD2-CD2 3.98Å; L198-F244 HydrophobicContact CD2-CE2 3.64Å; L198-F244 HydrophobicContact CD2-CZ 4.4Å; L198-C247 HydrophobicContact CD2-CB 4.45Å; L198-I248 HydrophobicContact CD1-CD1 4.2Å; L198-I248 HydrophobicContact CD2-CD1 3.9Å; L198-I255 HydrophobicContact CD1-CD1 4.29Å; L198-I255 HydrophobicContact CD1-CG1 4.4Å; L198-I255 HydrophobicContact CD1-CG2 3.88Å; L198-A264 HydrophobicContact CD1-CB 4.25Å; L198-T267 HydrophobicContact CB-CG2 3.87Å |
| 199 | N | 95.9 | Very high | 88.1 | Confident | 52 Ų | 52 | 31.5 Ų | 31.5 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.3 | -40 | 179.3 | -173.1 | 54.1 | 0 | 0 | 0 | 111.7 | G195 S196 I197 V202 Y203 T267 | G195-N199 WeakPolarHBondContact O-CB 3.31Å; G195-N199 PolarHBondContact O-N 3.04Å; S196-N199 PolarHBondContact O-N 2.82Å; I197-N199 VanDerWaalsContact C-N 3.32Å; I197-N199 PolarHBondContact O-N 3.36Å; N199-V202 PolarHBondContact O-N 3.45Å; N199-Y203 VanDerWaalsContact O-CB 3.23Å; N199-Y203 WeakPolarHBondContact O-CB 3.46Å; N199-Y203 PolarHBondContact O-N 3.3Å; N199-T267 HydrophobicContact CB-CG2 4.24Å |
| 200 | S | 96.2 | Very high | 90.2 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 173.1 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | Q143 S196 I197 L198 S204 | Q143-S200 VanDerWaalsContact OE1-CA 3.28Å; Q143-S200 PolarHBondContact OE1-OG 3.03Å; S196-S200 PolarHBondContact O-N 2.95Å; S196-S200 VanDerWaalsContact O-N 3.07Å; S196-S200 PolarHBondContact O-OG 3.46Å; I197-S200 PolarHBondContact O-N 3.09Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.65Å; S200-S204 PolarHBondContact O-N 2.86Å; S200-S204 PolarHBondContact O-OG 3.33Å; S200-S204 VanDerWaalsContact O-OG 3.07Å |
| 201 | I | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.4 | -45.2 | 178.7 | -60.4 | 161 | 0 | 0 | 0 | 111.4 | M139 W157 I197 L198 S204 L205 L240 I243 F244 | M139-I201 HydrophobicContact CE-CD1 3.78Å; M139-I201 HydrophobicContact CE-CG1 3.89Å; W157-I201 HydrophobicContact CH2-CG1 4.06Å; W157-I201 HydrophobicContact CZ3-CG1 3.73Å; I197-I201 HydrophobicContact CG2-CD1 3.85Å; I197-I201 WeakPolarHBondContact O-CG1 3.28Å; I197-I201 PolarHBondContact O-N 2.83Å; I197-I201 VanDerWaalsContact O-N 3.09Å; L198-I201 PolarHBondContact O-N 3.3Å; I201-S204 PolarHBondContact O-N 3.42Å; I201-L205 HydrophobicContact CG2-CD1 4.04Å; I201-L205 HydrophobicContact CG2-CG 4.33Å; I201-L205 WeakPolarHBondContact O-CG 3.5Å; I201-L205 PolarHBondContact O-N 3.43Å; I201-L240 HydrophobicContact CG2-CD2 4.49Å; I201-I243 HydrophobicContact CD1-CG2 3.89Å; I201-I243 HydrophobicContact CG1-CG2 4.32Å; I201-F244 HydrophobicContact CB-CD2 4.24Å; I201-F244 HydrophobicContact CG2-CB 3.82Å; I201-F244 HydrophobicContact CG2-CD2 3.81Å; I201-F244 HydrophobicContact CG2-CG 4.28Å |
| 202 | V | 97.1 | Very high | 93 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.024 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | -177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | L198 N199 S204 L205 R206 F244 T267 W271 | L198-V202 WeakPolarHBondContact O-CB 3.08Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.31Å; L198-V202 PolarHBondContact O-N 3.21Å; N199-V202 PolarHBondContact O-N 3.45Å; V202-S204 VanDerWaalsContact C-N 3.33Å; V202-S204 PolarHBondContact O-N 3.34Å; V202-L205 PolarHBondContact O-N 2.85Å; V202-R206 WeakPolarHBondContact O-CG 3.16Å; V202-R206 PolarHBondContact O-N 3.17Å; V202-F244 HydrophobicContact CG2-CD2 4.17Å; V202-F244 HydrophobicContact CG2-CE2 3.55Å; V202-F244 HydrophobicContact CG2-CZ 4.26Å; V202-T267 HydrophobicContact CB-CG2 4.25Å; V202-T267 HydrophobicContact CG2-CG2 3.95Å; V202-W271 HydrophobicContact CG1-CB 4.26Å; V202-W271 HydrophobicContact CG2-CB 3.76Å; V202-W271 HydrophobicContact CG2-CG 4.07Å |
| 203 | Y | 96.1 | Very high | 93 | Very high | 100 Ų | 100 | 27.4 Ų | 27.4 | 39% | 0.392 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 172.5 | -179 | -88.3 | 0 | 0 | 0 | 110.9 | Q143 N199 R206 H207 | Q143-Y203 HydrophobicContact CG-CD1 3.42Å; Q143-Y203 VanDerWaalsContact CG-CD1 3.42Å; Q143-Y203 HydrophobicContact CG-CE1 4.12Å; Q143-Y203 HydrophobicContact CG-CG 4.04Å; N199-Y203 VanDerWaalsContact O-CB 3.23Å; N199-Y203 WeakPolarHBondContact O-CB 3.46Å; N199-Y203 PolarHBondContact O-N 3.3Å; Y203-R206 PolarHBondContact O-N 2.97Å; Y203-H207 WeakPolarHBondContact O-CB 3.22Å; Y203-H207 PolarHBondContact O-N 3.08Å |
| 204 | S | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.2 | -37.8 | 179.9 | -59.9 | 0 | 0 | 0 | 0 | 113 | D146 W157 S200 I201 V202 R206 H207 Y208 | D146-S204 WeakPolarHBondContact OD2-CB 3.28Å; D146-S204 PolarHBondContact OD2-OG 3.47Å; W157-S204 VanDerWaalsContact CZ2-OG 3.3Å; W157-S204 WeakPolarHBondContact CZ2-OG 3.46Å; S200-S204 PolarHBondContact O-N 2.86Å; S200-S204 PolarHBondContact O-OG 3.33Å; S200-S204 VanDerWaalsContact O-OG 3.07Å; I201-S204 PolarHBondContact O-N 3.42Å; V202-S204 VanDerWaalsContact C-N 3.33Å; V202-S204 PolarHBondContact O-N 3.34Å; S204-R206 PolarHBondContact O-N 3.34Å; S204-H207 WeakPolarHBondContact O-CB 3.33Å; S204-H207 PolarHBondContact O-N 3.06Å; S204-Y208 VanDerWaalsContact O-CD2 3.29Å; S204-Y208 WeakPolarHBondContact O-CD2 3.27Å; S204-Y208 PolarHBondContact O-N 2.96Å |
| 205 | L | 96.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.9 | -48 | 171.7 | -78.9 | 170.7 | 0 | 0 | 0 | 111.2 | I201 V202 H207 Y209 L237 L240 F244 W274 F303 | I201-L205 HydrophobicContact CG2-CD1 4.04Å; I201-L205 HydrophobicContact CG2-CG 4.33Å; I201-L205 WeakPolarHBondContact O-CG 3.5Å; I201-L205 PolarHBondContact O-N 3.43Å; V202-L205 PolarHBondContact O-N 2.85Å; L205-H207 VanDerWaalsContact C-N 3.35Å; L205-Y209 VanDerWaalsContact O-CB 3.24Å; L205-Y209 WeakPolarHBondContact O-CB 3.1Å; L205-Y209 PolarHBondContact O-N 3.13Å; L205-L237 HydrophobicContact CD2-CD1 3.81Å; L205-L240 HydrophobicContact CD2-CB 3.46Å; L205-L240 VanDerWaalsContact CD2-CB 3.46Å; L205-L240 HydrophobicContact CD2-CD1 4.47Å; L205-L240 HydrophobicContact CG-CB 3.88Å; L205-F244 HydrophobicContact CD1-CB 4.39Å; L205-F244 HydrophobicContact CD1-CG 4.44Å; L205-W274 HydrophobicContact CB-CH2 4.34Å; L205-W274 HydrophobicContact CB-CZ3 4.21Å; L205-F303 HydrophobicContact CD2-CD2 4.33Å; L205-F303 HydrophobicContact CD2-CE2 4.1Å |
| 206 | R | 95.2 | Very high | 91 | Very high | 91 Ų | 91 | 36.8 Ų | 36.8 | 34% | 0.343 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.2 | -73.5 | 178 | 176.4 | 178.7 | 2.9 | 111.6 | V202 Y203 S204 N210 D270 W274 | V202-R206 WeakPolarHBondContact O-CG 3.16Å; V202-R206 PolarHBondContact O-N 3.17Å; Y203-R206 PolarHBondContact O-N 2.97Å; S204-R206 PolarHBondContact O-N 3.34Å; R206-N210 WeakPolarHBondContact O-CB 3.33Å; R206-N210 VanDerWaalsContact O-CG 3.24Å; R206-N210 PolarHBondContact O-N 2.72Å; R206-N210 PolarHBondContact O-ND2 3.04Å; R206-D270 PolarHBondContact NH2-O 2.66Å; R206-W274 HydrophobicContact CB-CH2 4.4Å; R206-W274 HydrophobicContact CB-CZ2 4.25Å; R206-W274 HydrophobicContact CG-CD2 3.91Å; R206-W274 HydrophobicContact CG-CE3 4.04Å; R206-W274 HydrophobicContact CG-CH2 3.8Å; R206-W274 HydrophobicContact CG-CZ2 3.67Å; R206-W274 HydrophobicContact CG-CZ3 3.98Å |
| 207 | H | 93.8 | Very high | 89.9 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 18% | 0.181 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -54.3 | 177.7 | -179 | 68.2 | 0 | 0 | 0 | 112.4 | D146 Y203 S204 L205 N210 K211 | D146-H207 PolarHBondContact O-NE2 3.23Å; Y203-H207 WeakPolarHBondContact O-CB 3.22Å; Y203-H207 PolarHBondContact O-N 3.08Å; S204-H207 WeakPolarHBondContact O-CB 3.33Å; S204-H207 PolarHBondContact O-N 3.06Å; L205-H207 VanDerWaalsContact C-N 3.35Å; H207-N210 PolarHBondContact O-N 3.27Å; H207-K211 WeakPolarHBondContact NE2-CE 2.89Å; H207-K211 PolarHBondContact O-N 2.79Å |
| 208 | Y | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.6 | -36.1 | 180 | -77 | -69.9 | 0 | 0 | 0 | 112.8 | D146 S153 S204 N210 K211 C212 N233 M236 L240 | D146-Y208 HydrophobicContact CB-CE2 4.01Å; D146-Y208 VanDerWaalsContact OD1-CE2 3.27Å; D146-Y208 WeakPolarHBondContact OD1-CE2 3.35Å; D146-Y208 PolarHBondContact OD1-OH 3.48Å; D146-Y208 VanDerWaalsContact OD1-OH 3.09Å; S153-Y208 PolarHBondContact OG-OH 2.94Å; S204-Y208 VanDerWaalsContact O-CD2 3.29Å; S204-Y208 WeakPolarHBondContact O-CD2 3.27Å; S204-Y208 PolarHBondContact O-N 2.96Å; Y208-N210 VanDerWaalsContact C-N 3.33Å; Y208-N210 PolarHBondContact O-N 3.44Å; Y208-K211 HydrophobicContact CD1-CD 4.26Å; Y208-K211 HydrophobicContact CE1-CD 4.48Å; Y208-K211 PolarHBondContact O-N 3.04Å; Y208-C212 PolarHBondContact O-N 2.62Å; Y208-C212 PolarHBondContact O-SG 3.37Å; Y208-C212 VanDerWaalsContact O-SG 3.37Å; Y208-N233 HydrophobicContact CD1-CB 4.13Å; Y208-N233 VanDerWaalsContact CD1-OD1 3.3Å; Y208-N233 WeakPolarHBondContact CD1-OD1 3.25Å; Y208-N233 WeakPolarHBondContact CE1-OD1 3.4Å; Y208-M236 HydrophobicContact CD1-CB 3.82Å; Y208-M236 HydrophobicContact CD1-CG 4.36Å; Y208-M236 HydrophobicContact CD2-CB 3.9Å; Y208-M236 HydrophobicContact CE1-CB 3.81Å; Y208-M236 HydrophobicContact CE1-CG 3.84Å; Y208-M236 HydrophobicContact CE2-CB 3.88Å; Y208-M236 HydrophobicContact CE2-CE 3.62Å; Y208-M236 HydrophobicContact CE2-CG 4.17Å; Y208-M236 HydrophobicContact CG-CB 3.88Å; Y208-L240 HydrophobicContact CD2-CD1 3.62Å; Y208-L240 HydrophobicContact CE2-CD1 4.1Å |
| 209 | Y | 90.2 | Very high | 86.3 | Confident | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 172.3 | -178.3 | -97 | 0 | 0 | 0 | 111.6 | L205 C212 R213 L237 W274 V278 F291 F303 F304 | L205-Y209 VanDerWaalsContact O-CB 3.24Å; L205-Y209 WeakPolarHBondContact O-CB 3.1Å; L205-Y209 PolarHBondContact O-N 3.13Å; Y209-C212 PolarHBondContact O-N 3.46Å; Y209-R213 WeakPolarHBondContact O-CB 3.15Å; Y209-R213 PolarHBondContact O-N 2.86Å; Y209-L237 HydrophobicContact CD2-CD2 4.41Å; Y209-W274 AromaticContact CD1-CZ2 3.8Å; Y209-W274 HydrophobicContact CD1-CZ2 3.8Å; Y209-W274 HydrophobicContact CG-CH2 4.28Å; Y209-W274 AromaticContact CG-CZ2 3.9Å; Y209-W274 HydrophobicContact CG-CZ2 3.9Å; Y209-V278 HydrophobicContact CE1-CB 4.05Å; Y209-V278 HydrophobicContact CE1-CG1 4.01Å; Y209-V278 HydrophobicContact CE1-CG2 4.33Å; Y209-V278 HydrophobicContact CE2-CG2 4.34Å; Y209-F291 HydrophobicContact CE2-CE2 4.32Å; Y209-F291 HydrophobicContact CE2-CZ 4.46Å; Y209-F303 HydrophobicContact CD2-CD1 4.4Å; Y209-F303 AromaticContact CD2-CE1 3.76Å; Y209-F303 HydrophobicContact CD2-CE1 3.76Å; Y209-F303 HydrophobicContact CE2-CE1 4.14Å; Y209-F304 HydrophobicContact CE2-CZ 4.41Å |
| 210 | N | 88.7 | Confident | 84.1 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 33% | 0.326 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 176.3 | -77.2 | -24.4 | 0 | 0 | 0 | 112.3 | R206 H207 Y208 R213 I214 | R206-N210 WeakPolarHBondContact O-CB 3.33Å; R206-N210 VanDerWaalsContact O-CG 3.24Å; R206-N210 PolarHBondContact O-N 2.72Å; R206-N210 PolarHBondContact O-ND2 3.04Å; H207-N210 PolarHBondContact O-N 3.27Å; Y208-N210 VanDerWaalsContact C-N 3.33Å; Y208-N210 PolarHBondContact O-N 3.44Å; N210-R213 PolarHBondContact O-N 3.23Å; N210-I214 WeakPolarHBondContact O-CG1 3.34Å; N210-I214 PolarHBondContact O-N 3.47Å |
| 211 | K | 87.7 | Confident | 81.8 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 27% | 0.27 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 172.4 | -76.6 | -174.9 | 170.7 | -179.8 | 0 | 111.6 | H207 Y208 R213 I214 A215 | H207-K211 WeakPolarHBondContact NE2-CE 2.89Å; H207-K211 PolarHBondContact O-N 2.79Å; Y208-K211 HydrophobicContact CD1-CD 4.26Å; Y208-K211 HydrophobicContact CE1-CD 4.48Å; Y208-K211 PolarHBondContact O-N 3.04Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 3.18Å; K211-I214 PolarHBondContact O-N 3.31Å; K211-A215 WeakPolarHBondContact O-CB 3.25Å; K211-A215 PolarHBondContact O-N 2.66Å |
| 212 | C | 85.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.2 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | Y208 Y209 A215 Y216 N233 F291 | Y208-C212 PolarHBondContact O-N 2.62Å; Y208-C212 PolarHBondContact O-SG 3.37Å; Y208-C212 VanDerWaalsContact O-SG 3.37Å; Y209-C212 PolarHBondContact O-N 3.46Å; C212-A215 PolarHBondContact O-N 3.13Å; C212-Y216 VanDerWaalsContact O-CD2 3.27Å; C212-Y216 WeakPolarHBondContact O-CD2 3.25Å; C212-Y216 PolarHBondContact O-N 3.22Å; C212-Y216 VanDerWaalsContact O-N 3.15Å; C212-N233 VanDerWaalsContact SG-CB 3.58Å; C212-F291 HydrophobicContact CB-CE1 4.38Å |
| 213 | R | 82 | Confident | 77 | Confident | 116 Ų | 116 | 66 Ų | 66 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 179.8 | -170 | -176.9 | 71.2 | 174.5 | 0.6 | 112 | Y209 N210 K211 L217 F291 | Y209-R213 WeakPolarHBondContact O-CB 3.15Å; Y209-R213 PolarHBondContact O-N 2.86Å; N210-R213 PolarHBondContact O-N 3.23Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 3.18Å; R213-L217 HydrophobicContact CG-CD1 3.55Å; R213-L217 HydrophobicContact CG-CG 4.11Å; R213-L217 WeakPolarHBondContact O-CB 3.49Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.32Å; R213-L217 PolarHBondContact O-N 2.76Å; R213-F291 HydrophobicContact CB-CZ 4.22Å |
| 214 | I | 82.4 | Confident | 74.8 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 59% | 0.59 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 178.9 | -68 | 166.2 | 0 | 0 | 0 | 110.4 | N210 K211 Y216 G218 | N210-I214 WeakPolarHBondContact O-CG1 3.34Å; N210-I214 PolarHBondContact O-N 3.47Å; K211-I214 PolarHBondContact O-N 3.31Å; I214-Y216 VanDerWaalsContact C-N 3.33Å; I214-Y216 PolarHBondContact O-N 2.92Å; I214-G218 WeakPolarHBondContact O-CA 3.27Å; I214-G218 PolarHBondContact O-N 2.7Å |
| 215 | A | 78.5 | Confident | 72.5 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K211 C212 T230 | K211-A215 WeakPolarHBondContact O-CB 3.25Å; K211-A215 PolarHBondContact O-N 2.66Å; C212-A215 PolarHBondContact O-N 3.13Å; A215-T230 HydrophobicContact CB-CG2 4.03Å |
| 216 | Y | 73.5 | Confident | 70.6 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 24% | 0.243 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -95.2 | -28.1 | -176.5 | -69.6 | -60.6 | 0 | 0 | 0 | 114.9 | C212 I214 T230 I234 F291 P292 I295 | C212-Y216 VanDerWaalsContact O-CD2 3.27Å; C212-Y216 WeakPolarHBondContact O-CD2 3.25Å; C212-Y216 PolarHBondContact O-N 3.22Å; C212-Y216 VanDerWaalsContact O-N 3.15Å; I214-Y216 VanDerWaalsContact C-N 3.33Å; I214-Y216 PolarHBondContact O-N 2.92Å; Y216-T230 HydrophobicContact CD2-CG2 3.91Å; Y216-T230 HydrophobicContact CE1-CG2 4.22Å; Y216-T230 HydrophobicContact CE2-CG2 3.07Å; Y216-T230 WeakPolarHBondContact OH-CG2 3.43Å; Y216-I234 HydrophobicContact CE2-CD1 4.34Å; Y216-F291 AromaticContact CD2-CD1 3.73Å; Y216-F291 HydrophobicContact CD2-CD1 3.73Å; Y216-F291 AromaticContact CD2-CE1 3.82Å; Y216-F291 HydrophobicContact CD2-CE1 3.82Å; Y216-F291 HydrophobicContact CG-CD1 4.06Å; Y216-F291 HydrophobicContact CG-CE1 4.39Å; Y216-P292 HydrophobicContact CD1-CG 4.33Å; Y216-I295 HydrophobicContact CD1-CD1 3.67Å; Y216-I295 HydrophobicContact CD2-CD1 4.25Å; Y216-I295 HydrophobicContact CD2-CG2 4.06Å; Y216-I295 HydrophobicContact CE1-CD1 3.13Å; Y216-I295 HydrophobicContact CE1-CG1 4.17Å; Y216-I295 HydrophobicContact CE2-CB 4.4Å; Y216-I295 HydrophobicContact CE2-CD1 3.72Å; Y216-I295 HydrophobicContact CE2-CG1 3.98Å; Y216-I295 HydrophobicContact CE2-CG2 3.65Å; Y216-I295 HydrophobicContact CG-CD1 4.22Å; Y216-I295 WeakPolarHBondContact OH-CD1 3.31Å |
| 217 | L | 69.4 | Low | 68.9 | Low | 65 Ų | 65 | 75.7 Ų | 75.7 | 34% | 0.34 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -97.8 | -19.3 | -176.3 | -52.6 | -167.8 | 0 | 0 | 0 | 113.4 | R213 G219 K290 | R213-L217 HydrophobicContact CG-CD1 3.55Å; R213-L217 HydrophobicContact CG-CG 4.11Å; R213-L217 WeakPolarHBondContact O-CB 3.49Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.32Å; R213-L217 PolarHBondContact O-N 2.76Å; L217-G219 PolarHBondContact O-N 3.19Å; L217-K290 HydrophobicContact CD1-CB 3.85Å; L217-K290 HydrophobicContact CD1-CD 4.12Å; L217-K290 HydrophobicContact CD2-CB 3.16Å; L217-K290 HydrophobicContact CD2-CG 4.44Å; L217-K290 WeakPolarHBondContact CD2-O 3.46Å; L217-K290 HydrophobicContact CG-CB 4.1Å |
| 218 | G | 63.1 | Low | 67.5 | Low | 49 Ų | 49 | 80.9 Ų | 80.9 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -72.5 | 7.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I214 V220 | I214-G218 WeakPolarHBondContact O-CA 3.27Å; I214-G218 PolarHBondContact O-N 2.7Å; G218-V220 PolarHBondContact O-N 3.32Å |
| 219 | G | 53.3 | Low | 66.4 | Low | 73 Ų | 73 | 84.4 Ų | 84.4 | 75% | 0.753 | 46% | 0.458 | S | S | * | . | trans | 62 | 11.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L217 K221 | L217-G219 PolarHBondContact O-N 3.19Å; G219-K221 PolarHBondContact O-N 3.24Å | ||
| 220 | V | 50.4 | Low | 65.7 | Low | 97 Ų | 97 | 84.2 Ų | 84.2 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | trans | -73.9 | 124.6 | -177.1 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | G218 S222 | G218-V220 PolarHBondContact O-N 3.32Å; V220-S222 PolarHBondContact O-N 3.26Å | ||
| 221 | K | 46.7 | Very low | 65.4 | Low | 189 Ų | 189 | 85.9 Ų | 85.9 | 82% | 0.822 | 46% | 0.463 | S | S | * | . | trans | -51.5 | 123.1 | 175.1 | -67.1 | 177.9 | 179.8 | 176.9 | 0 | 109.4 | G219 N223 | G219-K221 PolarHBondContact O-N 3.24Å; K221-N223 PolarHBondContact O-N 3.41Å | ||
| 222 | S | 45.8 | Very low | 65.4 | Low | 100 Ų | 100 | 85.4 Ų | 85.4 | 70% | 0.699 | 46% | 0.464 | S | S | * | . | trans | -63.3 | 100.2 | -178.2 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | V220 | V220-S222 PolarHBondContact O-N 3.26Š| ||
| 223 | N | 48.9 | Very low | 65.5 | Low | 116 Ų | 116 | 86.1 Ų | 86.1 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | trans | -80.8 | 143.7 | 155.5 | -73.3 | -3.6 | 0 | 0 | 0 | 108.5 | K221 M225 N226 | K221-N223 PolarHBondContact O-N 3.41Å; N223-M225 PolarHBondContact O-N 3.3Å; N223-M225 VanDerWaalsContact O-N 3.09Å; N223-N226 WeakPolarHBondContact O-CB 3.05Å; N223-N226 PolarHBondContact O-N 2.97Å | ||
| 224 | E | 49.1 | Very low | 65.8 | Low | 176 Ų | 176 | 80.7 Ų | 80.7 | 82% | 0.822 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -55.1 | -28.8 | -179.6 | -66.6 | -176.6 | 160.8 | 0 | 0 | 113.5 | N226 V227 | E224-N226 VanDerWaalsContact C-N 3.33Å; E224-N226 PolarHBondContact O-N 3.42Å; E224-V227 PolarHBondContact O-N 3.25Å |
| 225 | M | 49 | Very low | 66.2 | Low | 78 Ų | 78 | 80.8 Ų | 80.8 | 38% | 0.384 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.8 | -30.5 | 175.9 | -165.6 | 129.1 | 160.5 | 0 | 0 | 112.9 | K87 N223 V227 N229 | K87-M225 HydrophobicContact CD-CE 4.28Å; K87-M225 HydrophobicContact CD-SD 4.45Å; N223-M225 PolarHBondContact O-N 3.3Å; N223-M225 VanDerWaalsContact O-N 3.09Å; M225-V227 VanDerWaalsContact C-N 3.33Å; M225-N229 PolarHBondContact O-N 3.35Å |
| 226 | N | 57.4 | Low | 67 | Low | 72 Ų | 72 | 79.1 Ų | 79.1 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.1 | -31 | 174.4 | -74.7 | -12.6 | 0 | 0 | 0 | 111.6 | N223 E224 T230 | N223-N226 WeakPolarHBondContact O-CB 3.05Å; N223-N226 PolarHBondContact O-N 2.97Å; E224-N226 VanDerWaalsContact C-N 3.33Å; E224-N226 PolarHBondContact O-N 3.42Å; N226-T230 WeakPolarHBondContact O-CB 3.11Å; N226-T230 PolarHBondContact O-N 3.27Å; N226-T230 PolarHBondContact O-OG1 2.75Å |
| 227 | V | 59.8 | Low | 67.9 | Low | 70 Ų | 70 | 76.1 Ų | 76.1 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.9 | -49 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | E224 M225 N229 T230 E231 | E224-V227 PolarHBondContact O-N 3.25Å; M225-V227 VanDerWaalsContact C-N 3.33Å; V227-N229 PolarHBondContact O-N 2.73Å; V227-T230 PolarHBondContact O-N 2.92Å; V227-T230 VanDerWaalsContact O-N 3.09Å; V227-E231 PolarHBondContact O-N 2.94Å |
| 228 | K | 63.9 | Low | 69 | Low | 149 Ų | 149 | 74.6 Ų | 74.6 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 178.4 | -72.1 | -178 | 179.4 | 174.4 | 0 | 112.5 | T230 E231 N232 | K228-T230 PolarHBondContact O-N 3.01Å; K228-E231 PolarHBondContact O-N 3.48Å; K228-N232 PolarHBondContact O-N 3.35Å; K228-N232 VanDerWaalsContact O-N 3.09Å |
| 229 | N | 69.4 | Low | 70.5 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 39% | 0.39 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -31.3 | 176.2 | -73 | 0.9 | 0 | 0 | 0 | 111.4 | M225 V227 N233 | M225-N229 PolarHBondContact O-N 3.35Å; V227-N229 PolarHBondContact O-N 2.73Å; N229-N233 PolarHBondContact O-N 3.08Å; N229-N233 VanDerWaalsContact O-N 3.14Å; N229-N233 PolarHBondContact O-ND2 3.09Å |
| 230 | T | 74.4 | Confident | 72.6 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.043 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.4 | -38.4 | 179.5 | -48.2 | 0 | 0 | 0 | 0 | 113.1 | A215 Y216 N226 V227 K228 N232 N233 I234 | A215-T230 HydrophobicContact CB-CG2 4.03Å; Y216-T230 HydrophobicContact CD2-CG2 3.91Å; Y216-T230 HydrophobicContact CE1-CG2 4.22Å; Y216-T230 HydrophobicContact CE2-CG2 3.07Å; Y216-T230 WeakPolarHBondContact OH-CG2 3.43Å; N226-T230 WeakPolarHBondContact O-CB 3.11Å; N226-T230 PolarHBondContact O-N 3.27Å; N226-T230 PolarHBondContact O-OG1 2.75Å; V227-T230 PolarHBondContact O-N 2.92Å; V227-T230 VanDerWaalsContact O-N 3.09Å; K228-T230 PolarHBondContact O-N 3.01Å; T230-N232 VanDerWaalsContact C-N 3.28Å; T230-N232 PolarHBondContact O-N 2.92Å; T230-N233 WeakPolarHBondContact O-CB 3.28Å; T230-N233 PolarHBondContact O-N 2.73Å; T230-I234 WeakPolarHBondContact O-CG1 3.13Å; T230-I234 PolarHBondContact O-N 3.34Å |
| 231 | E | 83 | Confident | 74.8 | Confident | 95 Ų | 95 | 65.7 Ų | 65.7 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.4 | -43.1 | 169.3 | -80.9 | -179.1 | 162.7 | 0 | 0 | 111.3 | V227 K228 N233 I234 Q235 | V227-E231 PolarHBondContact O-N 2.94Å; K228-E231 PolarHBondContact O-N 3.48Å; E231-N233 VanDerWaalsContact C-N 3.34Å; E231-N233 PolarHBondContact O-N 3.21Å; E231-I234 PolarHBondContact O-N 2.9Å; E231-Q235 WeakPolarHBondContact O-CG 3.45Å; E231-Q235 PolarHBondContact O-N 3.37Å |
| 232 | N | 87.3 | Confident | 77.2 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 175.3 | -74 | -8.2 | 0 | 0 | 0 | 112.4 | E150 K228 T230 I234 Q235 M236 | E150-N232 HydrophobicContact CG-CB 3.88Å; E150-N232 WeakPolarHBondContact OE1-CB 3.16Å; E150-N232 PolarHBondContact OE1-ND2 3.11Å; K228-N232 PolarHBondContact O-N 3.35Å; K228-N232 VanDerWaalsContact O-N 3.09Å; T230-N232 VanDerWaalsContact C-N 3.28Å; T230-N232 PolarHBondContact O-N 2.92Å; N232-I234 VanDerWaalsContact C-N 3.34Å; N232-I234 PolarHBondContact O-N 3.44Å; N232-Q235 PolarHBondContact O-N 3.32Å; N232-M236 WeakPolarHBondContact O-CG 3.46Å; N232-M236 PolarHBondContact O-N 2.88Å |
| 233 | N | 89 | Confident | 79.6 | Confident | 14 Ų | 14 | 61 Ų | 61 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.3 | -68.9 | -38.5 | 0 | 0 | 0 | 112.1 | Y208 C212 N229 T230 E231 M236 L237 | Y208-N233 HydrophobicContact CD1-CB 4.13Å; Y208-N233 VanDerWaalsContact CD1-OD1 3.3Å; Y208-N233 WeakPolarHBondContact CD1-OD1 3.25Å; Y208-N233 WeakPolarHBondContact CE1-OD1 3.4Å; C212-N233 VanDerWaalsContact SG-CB 3.58Å; N229-N233 PolarHBondContact O-N 3.08Å; N229-N233 VanDerWaalsContact O-N 3.14Å; N229-N233 PolarHBondContact O-ND2 3.09Å; T230-N233 WeakPolarHBondContact O-CB 3.28Å; T230-N233 PolarHBondContact O-N 2.73Å; E231-N233 VanDerWaalsContact C-N 3.34Å; E231-N233 PolarHBondContact O-N 3.21Å; N233-M236 PolarHBondContact O-N 3.21Å; N233-L237 WeakPolarHBondContact O-CB 3.37Å; N233-L237 PolarHBondContact O-N 3.04Å |
| 234 | I | 88.5 | Confident | 81.9 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 175 | -65 | 168.4 | 0 | 0 | 0 | 110.5 | Y216 T230 E231 N232 M236 L237 N238 I295 E298 | Y216-I234 HydrophobicContact CE2-CD1 4.34Å; T230-I234 WeakPolarHBondContact O-CG1 3.13Å; T230-I234 PolarHBondContact O-N 3.34Å; E231-I234 PolarHBondContact O-N 2.9Å; N232-I234 VanDerWaalsContact C-N 3.34Å; N232-I234 PolarHBondContact O-N 3.44Å; I234-M236 VanDerWaalsContact C-N 3.32Å; I234-M236 PolarHBondContact O-N 3.4Å; I234-L237 WeakPolarHBondContact O-CB 3.33Å; I234-L237 PolarHBondContact O-N 2.74Å; I234-N238 WeakPolarHBondContact O-CB 3.5Å; I234-N238 PolarHBondContact O-N 2.89Å; I234-N238 PolarHBondContact O-ND2 3.39Å; I234-I295 HydrophobicContact CD1-CG1 4.45Å; I234-I295 HydrophobicContact CD1-CG2 3.93Å; I234-E298 HydrophobicContact CG2-CB 4.38Å |
| 235 | Q | 90.7 | Very high | 84.2 | Confident | 117 Ų | 117 | 47.7 Ų | 47.7 | 55% | 0.547 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 175.5 | -70.8 | 177.9 | 21.5 | 0 | 0 | 112.1 | E231 N232 N238 L239 | E231-Q235 WeakPolarHBondContact O-CG 3.45Å; E231-Q235 PolarHBondContact O-N 3.37Å; N232-Q235 PolarHBondContact O-N 3.32Å; Q235-N238 PolarHBondContact O-N 3.46Å; Q235-L239 WeakPolarHBondContact O-CB 3.38Å; Q235-L239 PolarHBondContact O-N 2.91Å |
| 236 | M | 94.1 | Very high | 86.4 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 173.8 | -77.5 | -57.2 | -64.5 | 0 | 0 | 111.7 | E150 L154 W157 Y208 N232 N233 I234 N238 L239 L240 | E150-M236 HydrophobicContact CB-CG 3.73Å; E150-M236 HydrophobicContact CB-SD 4.25Å; L154-M236 HydrophobicContact CB-SD 3.74Å; L154-M236 HydrophobicContact CD1-SD 3.7Å; L154-M236 HydrophobicContact CG-SD 4.28Å; W157-M236 HydrophobicContact CG-CE 4.49Å; Y208-M236 HydrophobicContact CD1-CB 3.82Å; Y208-M236 HydrophobicContact CD1-CG 4.36Å; Y208-M236 HydrophobicContact CD2-CB 3.9Å; Y208-M236 HydrophobicContact CE1-CB 3.81Å; Y208-M236 HydrophobicContact CE1-CG 3.84Å; Y208-M236 HydrophobicContact CE2-CB 3.88Å; Y208-M236 HydrophobicContact CE2-CE 3.62Å; Y208-M236 HydrophobicContact CE2-CG 4.17Å; Y208-M236 HydrophobicContact CG-CB 3.88Å; N232-M236 WeakPolarHBondContact O-CG 3.46Å; N232-M236 PolarHBondContact O-N 2.88Å; N233-M236 PolarHBondContact O-N 3.21Å; I234-M236 VanDerWaalsContact C-N 3.32Å; I234-M236 PolarHBondContact O-N 3.4Å; M236-N238 VanDerWaalsContact C-N 3.27Å; M236-N238 PolarHBondContact O-N 2.97Å; M236-L239 PolarHBondContact O-N 3.44Å; M236-L239 HydrophobicContact SD-CD2 4.5Å; M236-L240 WeakPolarHBondContact O-CB 3.48Å; M236-L240 VanDerWaalsContact O-CG 3.3Å; M236-L240 WeakPolarHBondContact O-CG 3.44Å; M236-L240 PolarHBondContact O-N 3.3Å |
| 237 | L | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.8 | -45 | 175.6 | -170.7 | 70.1 | 0 | 0 | 0 | 110.9 | L205 Y209 N233 I234 L240 S241 I299 F303 | L205-L237 HydrophobicContact CD2-CD1 3.81Å; Y209-L237 HydrophobicContact CD2-CD2 4.41Å; N233-L237 WeakPolarHBondContact O-CB 3.37Å; N233-L237 PolarHBondContact O-N 3.04Å; I234-L237 WeakPolarHBondContact O-CB 3.33Å; I234-L237 PolarHBondContact O-N 2.74Å; L237-L240 PolarHBondContact O-N 3.1Å; L237-S241 WeakPolarHBondContact O-CB 3.45Å; L237-S241 PolarHBondContact O-N 3.2Å; L237-S241 PolarHBondContact O-OG 3.2Å; L237-I299 HydrophobicContact CD2-CG2 4.38Å; L237-F303 HydrophobicContact CD1-CD1 4.46Å; L237-F303 HydrophobicContact CD1-CD2 4.16Å; L237-F303 HydrophobicContact CD1-CE1 4.49Å; L237-F303 HydrophobicContact CD1-CE2 4.19Å; L237-F303 HydrophobicContact CD1-CG 4.27Å; L237-F303 HydrophobicContact CD1-CZ 4.35Å; L237-F303 HydrophobicContact CD2-CB 3.92Å; L237-F303 HydrophobicContact CD2-CD1 3.72Å; L237-F303 HydrophobicContact CD2-CD2 4.49Å; L237-F303 HydrophobicContact CD2-CE1 4.31Å; L237-F303 HydrophobicContact CD2-CG 3.79Å; L237-F303 HydrophobicContact CG-CB 4.04Å; L237-F303 HydrophobicContact CG-CD1 4.25Å; L237-F303 HydrophobicContact CG-CD2 4.14Å; L237-F303 HydrophobicContact CG-CG 3.88Å |
| 238 | N | 92.8 | Very high | 90 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 17% | 0.171 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 178.2 | -72.5 | -20.3 | 0 | 0 | 0 | 113 | I234 Q235 M236 S241 R242 S302 | I234-N238 WeakPolarHBondContact O-CB 3.5Å; I234-N238 PolarHBondContact O-N 2.89Å; I234-N238 PolarHBondContact O-ND2 3.39Å; Q235-N238 PolarHBondContact O-N 3.46Å; M236-N238 VanDerWaalsContact C-N 3.27Å; M236-N238 PolarHBondContact O-N 2.97Å; N238-S241 PolarHBondContact O-N 3.06Å; N238-R242 VanDerWaalsContact O-CG 3.29Å; N238-R242 WeakPolarHBondContact O-CG 3.44Å; N238-R242 PolarHBondContact O-N 3.34Å; N238-R242 VanDerWaalsContact O-N 3.12Å; N238-S302 WeakPolarHBondContact CA-OG 3.23Å; N238-S302 WeakPolarHBondContact CB-OG 3.47Å; N238-S302 VanDerWaalsContact CG-CB 3.46Å; N238-S302 WeakPolarHBondContact OD1-CB 3.43Å; N238-S302 PolarHBondContact OD1-OG 3.07Å |
| 239 | L | 95.2 | Very high | 91.5 | Very high | 31 Ų | 31 | 39 Ų | 39 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -51.4 | 174.4 | 173.9 | 64.4 | 0 | 0 | 0 | 111.1 | L154 W157 K158 Q235 M236 S241 R242 I243 | L154-L239 HydrophobicContact CD1-CD2 3.36Å; W157-L239 HydrophobicContact CB-CD2 4.07Å; K158-L239 HydrophobicContact CG-CD2 4.2Å; Q235-L239 WeakPolarHBondContact O-CB 3.38Å; Q235-L239 PolarHBondContact O-N 2.91Å; M236-L239 PolarHBondContact O-N 3.44Å; M236-L239 HydrophobicContact SD-CD2 4.5Å; L239-S241 VanDerWaalsContact C-N 3.28Å; L239-S241 PolarHBondContact O-N 2.89Å; L239-R242 WeakPolarHBondContact O-CB 3.19Å; L239-R242 PolarHBondContact O-N 3.47Å; L239-R242 VanDerWaalsContact O-N 3.12Å; L239-I243 HydrophobicContact CD1-CD1 3.98Å; L239-I243 HydrophobicContact CD1-CG1 4.24Å; L239-I243 HydrophobicContact CD2-CD1 4.47Å; L239-I243 HydrophobicContact CG-CD1 3.85Å; L239-I243 HydrophobicContact CG-CG1 4.46Å; L239-I243 WeakPolarHBondContact O-CG1 3.35Å; L239-I243 PolarHBondContact O-N 2.94Å |
| 240 | L | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | -179.1 | -70.9 | 168.4 | 0 | 0 | 0 | 111.5 | W157 I201 L205 Y208 M236 L237 R242 I243 F244 | W157-L240 HydrophobicContact CD2-CD2 3.56Å; W157-L240 HydrophobicContact CE3-CD2 3.87Å; W157-L240 HydrophobicContact CG-CD2 4.06Å; W157-L240 HydrophobicContact CH2-CD2 4.17Å; W157-L240 HydrophobicContact CZ2-CD2 3.87Å; W157-L240 HydrophobicContact CZ3-CD2 4.16Å; I201-L240 HydrophobicContact CG2-CD2 4.49Å; L205-L240 HydrophobicContact CD2-CB 3.46Å; L205-L240 VanDerWaalsContact CD2-CB 3.46Å; L205-L240 HydrophobicContact CD2-CD1 4.47Å; L205-L240 HydrophobicContact CG-CB 3.88Å; Y208-L240 HydrophobicContact CD2-CD1 3.62Å; Y208-L240 HydrophobicContact CE2-CD1 4.1Å; M236-L240 WeakPolarHBondContact O-CB 3.48Å; M236-L240 VanDerWaalsContact O-CG 3.3Å; M236-L240 WeakPolarHBondContact O-CG 3.44Å; M236-L240 PolarHBondContact O-N 3.3Å; L237-L240 PolarHBondContact O-N 3.1Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 3.43Å; L240-I243 PolarHBondContact O-N 3.28Å; L240-F244 WeakPolarHBondContact O-CB 3.47Å; L240-F244 PolarHBondContact O-N 2.93Å |
| 241 | S | 96 | Very high | 93.7 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 112 | L237 N238 L239 T245 F303 | L237-S241 WeakPolarHBondContact O-CB 3.45Å; L237-S241 PolarHBondContact O-N 3.2Å; L237-S241 PolarHBondContact O-OG 3.2Å; N238-S241 PolarHBondContact O-N 3.06Å; L239-S241 VanDerWaalsContact C-N 3.28Å; L239-S241 PolarHBondContact O-N 2.89Å; S241-T245 VanDerWaalsContact O-CB 3.3Å; S241-T245 WeakPolarHBondContact O-CB 3.49Å; S241-T245 PolarHBondContact O-N 3.44Å; S241-T245 PolarHBondContact O-OG1 3.15Å; S241-F303 WeakPolarHBondContact OG-CD2 3.32Å |
| 242 | R | 96 | Very high | 94.1 | Very high | 183 Ų | 183 | 33.8 Ų | 33.8 | 69% | 0.691 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -67.7 | -41 | 176.5 | -70.1 | 169.6 | 64.3 | 150.6 | 3.6 | 111.8 | N238 L239 L240 F246 | N238-R242 VanDerWaalsContact O-CG 3.29Å; N238-R242 WeakPolarHBondContact O-CG 3.44Å; N238-R242 PolarHBondContact O-N 3.34Å; N238-R242 VanDerWaalsContact O-N 3.12Å; L239-R242 WeakPolarHBondContact O-CB 3.19Å; L239-R242 PolarHBondContact O-N 3.47Å; L239-R242 VanDerWaalsContact O-N 3.12Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 3.43Å; R242-F246 VanDerWaalsContact O-CB 3.31Å; R242-F246 WeakPolarHBondContact O-CB 3.23Å; R242-F246 PolarHBondContact O-N 3.3Å |
| 243 | I | 96.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 175.8 | -67.6 | 172.8 | 0 | 0 | 0 | 110 | M139 W157 M164 I201 L239 L240 F246 C247 | M139-I243 HydrophobicContact CE-CG2 3.71Å; W157-I243 HydrophobicContact CB-CD1 4.12Å; W157-I243 HydrophobicContact CE3-CD1 4.22Å; M164-I243 HydrophobicContact CE-CG2 3.9Å; I201-I243 HydrophobicContact CD1-CG2 3.89Å; I201-I243 HydrophobicContact CG1-CG2 4.32Å; L239-I243 HydrophobicContact CD1-CD1 3.98Å; L239-I243 HydrophobicContact CD1-CG1 4.24Å; L239-I243 HydrophobicContact CD2-CD1 4.47Å; L239-I243 HydrophobicContact CG-CD1 3.85Å; L239-I243 HydrophobicContact CG-CG1 4.46Å; L239-I243 WeakPolarHBondContact O-CG1 3.35Å; L239-I243 PolarHBondContact O-N 2.94Å; L240-I243 PolarHBondContact O-N 3.28Å; I243-F246 PolarHBondContact O-N 2.79Å; I243-C247 WeakPolarHBondContact O-CB 3.39Å; I243-C247 PolarHBondContact O-N 3.42Å |
| 244 | F | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 177.7 | -169.9 | -97.1 | 0 | 0 | 0 | 111.4 | L198 I201 V202 L205 L240 F246 C247 I248 F268 W271 I310 | L198-F244 HydrophobicContact CD2-CD2 3.98Å; L198-F244 HydrophobicContact CD2-CE2 3.64Å; L198-F244 HydrophobicContact CD2-CZ 4.4Å; I201-F244 HydrophobicContact CB-CD2 4.24Å; I201-F244 HydrophobicContact CG2-CB 3.82Å; I201-F244 HydrophobicContact CG2-CD2 3.81Å; I201-F244 HydrophobicContact CG2-CG 4.28Å; V202-F244 HydrophobicContact CG2-CD2 4.17Å; V202-F244 HydrophobicContact CG2-CE2 3.55Å; V202-F244 HydrophobicContact CG2-CZ 4.26Å; L205-F244 HydrophobicContact CD1-CB 4.39Å; L205-F244 HydrophobicContact CD1-CG 4.44Å; L240-F244 WeakPolarHBondContact O-CB 3.47Å; L240-F244 PolarHBondContact O-N 2.93Å; F244-F246 VanDerWaalsContact C-N 3.3Å; F244-F246 PolarHBondContact O-N 2.9Å; F244-C247 WeakPolarHBondContact O-CB 3.48Å; F244-C247 PolarHBondContact O-N 3.36Å; F244-C247 VanDerWaalsContact O-N 3.1Å; F244-I248 HydrophobicContact CD1-CG1 3.94Å; F244-I248 HydrophobicContact CE1-CD1 4.13Å; F244-I248 HydrophobicContact CE1-CG1 3.6Å; F244-I248 HydrophobicContact CE2-CD1 4.49Å; F244-I248 HydrophobicContact CZ-CD1 3.97Å; F244-I248 HydrophobicContact CZ-CG1 3.96Å; F244-I248 WeakPolarHBondContact O-CG1 3.09Å; F244-I248 PolarHBondContact O-N 3.44Å; F244-F268 HydrophobicContact CE1-CD2 4.18Å; F244-F268 HydrophobicContact CE1-CE2 4.4Å; F244-F268 AromaticContact CZ-CD2 3.96Å; F244-F268 HydrophobicContact CZ-CD2 3.96Å; F244-W271 HydrophobicContact CD1-CD2 4.05Å; F244-W271 AromaticContact CD1-CE2 3.77Å; F244-W271 HydrophobicContact CD1-CE3 4.4Å; F244-W271 HydrophobicContact CD1-CH2 4.32Å; F244-W271 AromaticContact CD1-CZ2 3.93Å; F244-W271 HydrophobicContact CD1-CZ2 3.93Å; F244-W271 AromaticContact CE1-CD2 3.23Å; F244-W271 HydrophobicContact CE1-CD2 3.23Å; F244-W271 AromaticContact CE1-CE2 3.45Å; F244-W271 VanDerWaalsContact CE1-CE2 3.45Å; F244-W271 AromaticContact CE1-CE3 3.37Å; F244-W271 HydrophobicContact CE1-CE3 3.37Å; F244-W271 AromaticContact CE1-CG 3.81Å; F244-W271 HydrophobicContact CE1-CG 3.81Å; F244-W271 AromaticContact CE1-CH2 3.95Å; F244-W271 HydrophobicContact CE1-CH2 3.95Å; F244-W271 AromaticContact CE1-CZ2 3.81Å; F244-W271 HydrophobicContact CE1-CZ2 3.81Å; F244-W271 AromaticContact CE1-CZ3 3.73Å; F244-W271 HydrophobicContact CE1-CZ3 3.73Å; F244-W271 HydrophobicContact CE2-CD2 4.47Å; F244-W271 HydrophobicContact CE2-CG 4.2Å; F244-W271 HydrophobicContact CZ-CB 3.96Å; F244-W271 AromaticContact CZ-CD2 3.48Å; F244-W271 HydrophobicContact CZ-CD2 3.48Å; F244-W271 VanDerWaalsContact CZ-CD2 3.48Å; F244-W271 AromaticContact CZ-CE3 3.76Å; F244-W271 HydrophobicContact CZ-CE3 3.76Å; F244-W271 AromaticContact CZ-CG 3.55Å; F244-W271 HydrophobicContact CZ-CG 3.55Å; F244-I310 HydrophobicContact CD1-CD1 3.72Å; F244-I310 HydrophobicContact CE1-CD1 3.81Å |
| 245 | T | 96.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.8 | -43.8 | 178.1 | -58 | 0 | 0 | 0 | 0 | 111.9 | S241 R249 S306 I309 I310 | S241-T245 VanDerWaalsContact O-CB 3.3Å; S241-T245 WeakPolarHBondContact O-CB 3.49Å; S241-T245 PolarHBondContact O-N 3.44Å; S241-T245 PolarHBondContact O-OG1 3.15Å; T245-R249 WeakPolarHBondContact O-CB 3.46Å; T245-R249 VanDerWaalsContact O-CG 3.3Å; T245-R249 WeakPolarHBondContact O-CG 3.47Å; T245-R249 PolarHBondContact O-N 3.42Å; T245-S306 WeakPolarHBondContact OG1-CB 3.14Å; T245-I309 HydrophobicContact CG2-CB 4.14Å; T245-I309 HydrophobicContact CG2-CG2 3.5Å; T245-I310 HydrophobicContact CG2-CG1 4.2Å |
| 246 | F | 96.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 176.1 | 170.1 | -93.7 | 0 | 0 | 0 | 111.6 | M164 K165 K168 R242 I243 F244 I248 R249 E250 F251 | M164-F246 HydrophobicContact CE-CD1 3.68Å; M164-F246 HydrophobicContact CE-CE1 3.97Å; M164-F246 HydrophobicContact CG-CE1 4.09Å; M164-F246 HydrophobicContact SD-CD1 4.49Å; M164-F246 HydrophobicContact SD-CE1 4.39Å; K165-F246 HydrophobicContact CB-CE1 4.42Å; K165-F246 HydrophobicContact CB-CZ 4.16Å; K165-F246 HydrophobicContact CG-CE2 4.35Å; K165-F246 HydrophobicContact CG-CZ 4.22Å; K168-F246 HydrophobicContact CD-CZ 4.32Å; K168-F246 HydrophobicContact CG-CZ 4.37Å; R242-F246 VanDerWaalsContact O-CB 3.31Å; R242-F246 WeakPolarHBondContact O-CB 3.23Å; R242-F246 PolarHBondContact O-N 3.3Å; I243-F246 PolarHBondContact O-N 2.79Å; F244-F246 VanDerWaalsContact C-N 3.3Å; F244-F246 PolarHBondContact O-N 2.9Å; F246-I248 PolarHBondContact O-N 3.02Å; F246-R249 PolarHBondContact O-N 3.21Å; F246-E250 HydrophobicContact CE1-CB 4.48Å; F246-E250 HydrophobicContact CE2-CB 4.22Å; F246-E250 HydrophobicContact CE2-CG 4.43Å; F246-E250 HydrophobicContact CZ-CB 4.1Å; F246-E250 HydrophobicContact CZ-CG 4.08Å; F246-E250 VanDerWaalsContact O-CB 3.32Å; F246-E250 WeakPolarHBondContact O-CB 3.39Å; F246-E250 PolarHBondContact O-N 3.09Å; F246-F251 HydrophobicContact CE1-CE2 4.34Å |
| 247 | C | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -50.8 | 179.2 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | M164 L198 I243 F244 R249 F251 | M164-C247 HydrophobicContact CE-CB 4.45Å; M164-C247 HydrophobicContact SD-CB 4.28Å; L198-C247 HydrophobicContact CD2-CB 4.45Å; I243-C247 WeakPolarHBondContact O-CB 3.39Å; I243-C247 PolarHBondContact O-N 3.42Å; F244-C247 WeakPolarHBondContact O-CB 3.48Å; F244-C247 PolarHBondContact O-N 3.36Å; F244-C247 VanDerWaalsContact O-N 3.1Å; C247-R249 PolarHBondContact O-N 3.35Å; C247-F251 WeakPolarHBondContact O-CB 3.47Å; C247-F251 WeakPolarHBondContact O-CD2 2.95Å; C247-F251 PolarHBondContact O-N 3.06Å |
| 248 | I | 96 | Very high | 92.9 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 178.9 | -64.4 | -59.5 | 0 | 0 | 0 | 111.5 | L198 F244 F246 T252 I255 F268 I310 M314 | L198-I248 HydrophobicContact CD1-CD1 4.2Å; L198-I248 HydrophobicContact CD2-CD1 3.9Å; F244-I248 HydrophobicContact CD1-CG1 3.94Å; F244-I248 HydrophobicContact CE1-CD1 4.13Å; F244-I248 HydrophobicContact CE1-CG1 3.6Å; F244-I248 HydrophobicContact CE2-CD1 4.49Å; F244-I248 HydrophobicContact CZ-CD1 3.97Å; F244-I248 HydrophobicContact CZ-CG1 3.96Å; F244-I248 WeakPolarHBondContact O-CG1 3.09Å; F244-I248 PolarHBondContact O-N 3.44Å; F246-I248 PolarHBondContact O-N 3.02Å; I248-T252 WeakPolarHBondContact O-CA 3.47Å; I248-T252 WeakPolarHBondContact O-CB 3.34Å; I248-T252 PolarHBondContact O-N 3.09Å; I248-T252 PolarHBondContact O-OG1 2.97Å; I248-I255 HydrophobicContact CD1-CD1 4.06Å; I248-I255 HydrophobicContact CD1-CG2 4.3Å; I248-F268 HydrophobicContact CD1-CB 4.49Å; I248-F268 HydrophobicContact CD1-CD2 3.53Å; I248-F268 HydrophobicContact CD1-CE2 4.02Å; I248-F268 HydrophobicContact CD1-CG 4.12Å; I248-F268 HydrophobicContact CG1-CD2 4.15Å; I248-F268 HydrophobicContact CG1-CE2 4.21Å; I248-F268 HydrophobicContact CG2-CE2 4.21Å; I248-F268 HydrophobicContact CG2-CZ 4.5Å; I248-I310 HydrophobicContact CB-CD1 4.45Å; I248-I310 HydrophobicContact CB-CG1 4.48Å; I248-I310 HydrophobicContact CG1-CD1 4.3Å; I248-I310 HydrophobicContact CG2-CG1 4.31Å; I248-I310 HydrophobicContact CG2-CG2 4.02Å; I248-M314 HydrophobicContact CG2-CE 3.12Å |
| 249 | R | 95.4 | Very high | 92.3 | Very high | 135 Ų | 135 | 44.1 Ų | 44.1 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71 | -38.9 | -176.6 | -73.3 | 179.6 | 65.4 | -171.8 | -0.2 | 113.9 | T245 F246 C247 T252 H313 | T245-R249 WeakPolarHBondContact O-CB 3.46Å; T245-R249 VanDerWaalsContact O-CG 3.3Å; T245-R249 WeakPolarHBondContact O-CG 3.47Å; T245-R249 PolarHBondContact O-N 3.42Å; F246-R249 PolarHBondContact O-N 3.21Å; C247-R249 PolarHBondContact O-N 3.35Å; R249-T252 PolarHBondContact O-OG1 3.04Å; R249-H313 HydrophobicContact CG-CB 4.09Å |
| 250 | E | 94.8 | Very high | 91.6 | Very high | 57 Ų | 57 | 44.4 Ų | 44.4 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -81.2 | -33.3 | -175.1 | -174.7 | 64.4 | -137.5 | 0 | 0 | 112.6 | K168 R172 F246 | K168-E250 HydrophobicContact CD-CG 3.94Å; K168-E250 HydrophobicContact CG-CG 4.31Å; K168-E250 IonicContact NZ-OE2 3.86Å; K168-E250 PolarHBondContact NZ-OE2 3.16Å; R172-E250 PolarHBondContact NH2-O 2.95Å; R172-E250 IonicContact NH2-OE1 3.21Å; R172-E250 PolarHBondContact NH2-OE1 3.09Å; F246-E250 HydrophobicContact CE1-CB 4.48Å; F246-E250 HydrophobicContact CE2-CB 4.22Å; F246-E250 HydrophobicContact CE2-CG 4.43Å; F246-E250 HydrophobicContact CZ-CB 4.1Å; F246-E250 HydrophobicContact CZ-CG 4.08Å; F246-E250 VanDerWaalsContact O-CB 3.32Å; F246-E250 WeakPolarHBondContact O-CB 3.39Å; F246-E250 PolarHBondContact O-N 3.09Å |
| 251 | F | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -115 | 25.4 | -174 | -54.6 | -69.5 | 0 | 0 | 0 | 112.6 | M164 K168 I171 R172 F194 F246 C247 K253 E254 I255 | M164-F251 HydrophobicContact CG-CE2 3.83Å; M164-F251 HydrophobicContact CG-CZ 4.28Å; M164-F251 HydrophobicContact SD-CE2 4.08Å; K168-F251 HydrophobicContact CB-CZ 4.39Å; I171-F251 HydrophobicContact CB-CE1 4.49Å; I171-F251 HydrophobicContact CB-CZ 4.45Å; I171-F251 HydrophobicContact CG2-CE1 4.09Å; I171-F251 HydrophobicContact CG2-CZ 4.01Å; R172-F251 HydrophobicContact CB-CE1 4.44Å; F194-F251 HydrophobicContact CD1-CB 4.48Å; F194-F251 HydrophobicContact CE1-CB 3.75Å; F194-F251 HydrophobicContact CE1-CD1 4.17Å; F194-F251 AromaticContact CE1-CD2 3.61Å; F194-F251 HydrophobicContact CE1-CD2 3.61Å; F194-F251 HydrophobicContact CE1-CE2 4.23Å; F194-F251 AromaticContact CE1-CG 3.58Å; F194-F251 HydrophobicContact CE1-CG 3.58Å; F194-F251 HydrophobicContact CE2-CB 4.05Å; F194-F251 HydrophobicContact CE2-CD1 4.43Å; F194-F251 HydrophobicContact CE2-CG 4.31Å; F194-F251 HydrophobicContact CZ-CB 3.51Å; F194-F251 AromaticContact CZ-CD1 3.54Å; F194-F251 HydrophobicContact CZ-CD1 3.54Å; F194-F251 AromaticContact CZ-CD2 3.87Å; F194-F251 HydrophobicContact CZ-CD2 3.87Å; F194-F251 HydrophobicContact CZ-CE1 4.18Å; F194-F251 HydrophobicContact CZ-CE2 4.48Å; F194-F251 AromaticContact CZ-CG 3.35Å; F194-F251 HydrophobicContact CZ-CG 3.35Å; F246-F251 HydrophobicContact CE1-CE2 4.34Å; C247-F251 WeakPolarHBondContact O-CB 3.47Å; C247-F251 WeakPolarHBondContact O-CD2 2.95Å; C247-F251 PolarHBondContact O-N 3.06Å; F251-K253 PolarHBondContact O-N 3.1Å; F251-K253 VanDerWaalsContact O-N 3.16Å; F251-E254 PolarHBondContact O-N 3.46Å; F251-I255 HydrophobicContact CB-CD1 3.93Å; F251-I255 HydrophobicContact CB-CG1 4.24Å; F251-I255 WeakPolarHBondContact O-CB 3.48Å; F251-I255 VanDerWaalsContact O-CG1 3.31Å; F251-I255 WeakPolarHBondContact O-CG1 3.12Å; F251-I255 PolarHBondContact O-N 3.39Å |
| 252 | T | 92.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.6 | -38.7 | -174.4 | -41.2 | 0 | 0 | 0 | 0 | 112.9 | I248 R249 E254 I255 L256 H313 M314 L317 | I248-T252 WeakPolarHBondContact O-CA 3.47Å; I248-T252 WeakPolarHBondContact O-CB 3.34Å; I248-T252 PolarHBondContact O-N 3.09Å; I248-T252 PolarHBondContact O-OG1 2.97Å; R249-T252 PolarHBondContact O-OG1 3.04Å; T252-E254 VanDerWaalsContact C-N 3.34Å; T252-I255 PolarHBondContact O-N 3.29Å; T252-L256 HydrophobicContact CG2-CD1 3.81Å; T252-L256 HydrophobicContact CG2-CG 4.24Å; T252-L256 WeakPolarHBondContact O-CB 3.37Å; T252-L256 PolarHBondContact O-N 2.72Å; T252-H313 PolarHBondContact OG1-NE2 3.38Å; T252-M314 HydrophobicContact CG2-CE 4.21Å; T252-M314 HydrophobicContact CG2-SD 4.4Å; T252-L317 HydrophobicContact CG2-CD1 3.72Å; T252-L317 HydrophobicContact CG2-CD2 3.66Å; T252-L317 HydrophobicContact CG2-CG 4.32Å |
| 253 | K | 88.7 | Confident | 90.3 | Very high | 177 Ų | 177 | 46 Ų | 46 | 77% | 0.77 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -69.2 | -32.3 | -179.6 | -65.2 | -174.3 | 178.1 | -172.9 | 0 | 112.8 | F251 | F251-K253 PolarHBondContact O-N 3.1Å; F251-K253 VanDerWaalsContact O-N 3.16Å |
| 254 | E | 89.1 | Confident | 90.1 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -85.4 | -22.5 | 178.2 | -67.2 | 72.6 | -155.3 | 0 | 0 | 112.5 | R172 R176 F194 F251 T252 T257 | R172-E254 WeakPolarHBondContact CD-OE1 3.4Å; R172-E254 HydrophobicContact CG-CG 4.16Å; R172-E254 VanDerWaalsContact CG-OE1 3.24Å; R172-E254 WeakPolarHBondContact CG-OE1 3.42Å; R172-E254 IonicContact NE-OE1 3.55Å; R172-E254 IonicContact NE-OE2 3.09Å; R176-E254 HydrophobicContact CG-CG 4.49Å; R176-E254 IonicContact CZ-OE1 2.66Å; R176-E254 IonicContact NE-OE1 2.77Å; R176-E254 PolarHBondContact NE-OE1 2.9Å; R176-E254 VanDerWaalsContact NE-OE1 3.09Å; R176-E254 IonicContact NH2-OE1 2.91Å; R176-E254 PolarHBondContact NH2-OE1 3.3Å; F194-E254 HydrophobicContact CD2-CB 3.83Å; F194-E254 HydrophobicContact CE2-CB 3.43Å; F194-E254 VanDerWaalsContact CE2-CB 3.43Å; F194-E254 HydrophobicContact CE2-CG 4.2Å; F194-E254 HydrophobicContact CZ-CB 4.43Å; F251-E254 PolarHBondContact O-N 3.46Å; T252-E254 VanDerWaalsContact C-N 3.34Å; E254-T257 WeakPolarHBondContact O-CG2 3.42Å |
| 255 | I | 91.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -86.5 | -52.7 | 177.5 | -68.9 | 168.9 | 0 | 0 | 0 | 110.9 | F194 L198 I248 F251 T252 T257 A264 V265 | F194-I255 HydrophobicContact CB-CG1 3.86Å; F194-I255 HydrophobicContact CD1-CD1 4.29Å; F194-I255 HydrophobicContact CD1-CG1 4.11Å; F194-I255 HydrophobicContact CD2-CG1 4.13Å; F194-I255 HydrophobicContact CG-CD1 4.44Å; F194-I255 HydrophobicContact CG-CG1 3.77Å; L198-I255 HydrophobicContact CD1-CD1 4.29Å; L198-I255 HydrophobicContact CD1-CG1 4.4Å; L198-I255 HydrophobicContact CD1-CG2 3.88Å; I248-I255 HydrophobicContact CD1-CD1 4.06Å; I248-I255 HydrophobicContact CD1-CG2 4.3Å; F251-I255 HydrophobicContact CB-CD1 3.93Å; F251-I255 HydrophobicContact CB-CG1 4.24Å; F251-I255 WeakPolarHBondContact O-CB 3.48Å; F251-I255 VanDerWaalsContact O-CG1 3.31Å; F251-I255 WeakPolarHBondContact O-CG1 3.12Å; F251-I255 PolarHBondContact O-N 3.39Å; T252-I255 PolarHBondContact O-N 3.29Å; I255-T257 VanDerWaalsContact C-N 3.32Å; I255-T257 PolarHBondContact O-N 3.39Å; I255-T257 VanDerWaalsContact O-N 3.13Å; I255-A264 HydrophobicContact CG2-CB 4.28Å; I255-V265 VanDerWaalsContact O-CG2 3.31Å; I255-V265 WeakPolarHBondContact O-CG2 3.2Å |
| 256 | L | 88.9 | Confident | 89.7 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -87.5 | 76.3 | 177.6 | -61.9 | -177.1 | 0 | 0 | 0 | 109.2 | T252 V265 F268 M314 L317 V329 F330 | T252-L256 HydrophobicContact CG2-CD1 3.81Å; T252-L256 HydrophobicContact CG2-CG 4.24Å; T252-L256 WeakPolarHBondContact O-CB 3.37Å; T252-L256 PolarHBondContact O-N 2.72Å; L256-V265 HydrophobicContact CD2-CG2 4.16Å; L256-F268 HydrophobicContact CD2-CD1 3.9Å; L256-F268 HydrophobicContact CD2-CE1 4.28Å; L256-M314 HydrophobicContact CD1-CE 4.41Å; L256-M314 HydrophobicContact CD1-SD 3.78Å; L256-L317 HydrophobicContact CD1-CD1 3.64Å; L256-V329 HydrophobicContact CB-CG1 3.86Å; L256-F330 HydrophobicContact CD1-CB 4.42Å; L256-F330 HydrophobicContact CD1-CD2 4.45Å |
| 257 | T | 82.7 | Confident | 89.6 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | trans | -81.2 | 169.4 | 175 | 73.9 | 0 | 0 | 0 | 0 | 111.1 | E254 I255 D259 | E254-T257 WeakPolarHBondContact O-CG2 3.42Å; I255-T257 VanDerWaalsContact C-N 3.32Å; I255-T257 PolarHBondContact O-N 3.39Å; I255-T257 VanDerWaalsContact O-N 3.13Å; T257-D259 PolarHBondContact O-N 2.92Å; T257-D259 PolarHBondContact OG1-N 3.46Å; T257-D259 PolarHBondContact OG1-O 2.85Å | ||
| 258 | T | 74.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 45.7 Ų | 45.7 | 58% | 0.577 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -65.8 | -19.1 | 172.1 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | I260 P320 | T258-I260 PolarHBondContact O-N 2.77Å; T258-P320 HydrophobicContact CG2-CB 4.33Å |
| 259 | D | 81.2 | Confident | 89.6 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | trans | -80.9 | 94.9 | 169.4 | 179.7 | 18.5 | 0 | 0 | 0 | 109.9 | T257 N261 S262 | T257-D259 PolarHBondContact O-N 2.92Å; T257-D259 PolarHBondContact OG1-N 3.46Å; T257-D259 PolarHBondContact OG1-O 2.85Å; D259-N261 PolarHBondContact O-N 3.31Å; D259-N261 PolarHBondContact OD1-N 3.45Å; D259-N261 VanDerWaalsContact OD1-N 3.08Å; D259-S262 WeakPolarHBondContact O-CB 3.5Å; D259-S262 PolarHBondContact O-N 3.06Å; D259-S262 PolarHBondContact O-OG 3.4Å; D259-S262 PolarHBondContact OD1-N 2.89Å; D259-S262 PolarHBondContact OD2-N 3.34Å | ||
| 260 | I | 80.1 | Confident | 89.6 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26 | 179.1 | -63.4 | 142 | 0 | 0 | 0 | 111.6 | T258 S262 V265 H336 | T258-I260 PolarHBondContact O-N 2.77Å; I260-S262 PolarHBondContact O-N 3.44Å; I260-V265 WeakPolarHBondContact O-CG1 3.4Å; I260-H336 WeakPolarHBondContact CD1-CD2 3.33Å; I260-H336 HydrophobicContact CG2-CB 3.6Å |
| 261 | N | 83.6 | Confident | 89.7 | Confident | 138 Ų | 138 | 40.7 Ų | 40.7 | 74% | 0.738 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.2 | 176.8 | -65 | -40 | 0 | 0 | 0 | 112.7 | D259 Q263 | D259-N261 PolarHBondContact O-N 3.31Å; D259-N261 PolarHBondContact OD1-N 3.45Å; D259-N261 VanDerWaalsContact OD1-N 3.08Å; N261-Q263 PolarHBondContact O-N 2.9Å |
| 262 | S | 88.5 | Confident | 89.9 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -59.1 | 138.1 | 177.6 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | D259 I260 A264 V265 V266 | D259-S262 WeakPolarHBondContact O-CB 3.5Å; D259-S262 PolarHBondContact O-N 3.06Å; D259-S262 PolarHBondContact O-OG 3.4Å; D259-S262 PolarHBondContact OD1-N 2.89Å; D259-S262 PolarHBondContact OD2-N 3.34Å; I260-S262 PolarHBondContact O-N 3.44Å; S262-A264 PolarHBondContact O-N 3.17Å; S262-V265 PolarHBondContact O-N 2.74Å; S262-V265 VanDerWaalsContact OG-CG2 3.28Å; S262-V265 WeakPolarHBondContact OG-CG2 3.49Å; S262-V266 PolarHBondContact O-N 2.96Å; S262-V266 VanDerWaalsContact O-N 3.07Å |
| 263 | Q | 91.1 | Very high | 90 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -52.5 | -31.8 | -177.9 | -176.4 | 63.2 | 47.3 | 0 | 0 | 112.7 | K191 N261 T267 | K191-Q263 HydrophobicContact CG-CG 4.47Å; N261-Q263 PolarHBondContact O-N 2.9Å; Q263-T267 PolarHBondContact NE2-OG1 2.77Å; Q263-T267 WeakPolarHBondContact O-CB 3.33Å; Q263-T267 PolarHBondContact O-N 3.26Å; Q263-T267 PolarHBondContact O-OG1 2.66Å |
| 264 | A | 92.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F194 L198 I255 S262 F268 | F194-A264 HydrophobicContact CB-CB 4.12Å; L198-A264 HydrophobicContact CD1-CB 4.25Å; I255-A264 HydrophobicContact CG2-CB 4.28Å; S262-A264 PolarHBondContact O-N 3.17Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 3.3Å |
| 265 | V | 92.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -49.6 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 110 | I255 L256 I260 S262 T267 F268 M269 A333 | I255-V265 VanDerWaalsContact O-CG2 3.31Å; I255-V265 WeakPolarHBondContact O-CG2 3.2Å; L256-V265 HydrophobicContact CD2-CG2 4.16Å; I260-V265 WeakPolarHBondContact O-CG1 3.4Å; S262-V265 PolarHBondContact O-N 2.74Å; S262-V265 VanDerWaalsContact OG-CG2 3.28Å; S262-V265 WeakPolarHBondContact OG-CG2 3.49Å; V265-T267 PolarHBondContact O-N 3.44Å; V265-F268 WeakPolarHBondContact O-CB 2.94Å; V265-F268 PolarHBondContact O-N 2.93Å; V265-F268 VanDerWaalsContact O-N 3.13Å; V265-M269 HydrophobicContact CG1-CG 4.33Å; V265-M269 WeakPolarHBondContact O-CG 3.09Å; V265-M269 PolarHBondContact O-N 3.43Å; V265-A333 HydrophobicContact CG1-CB 3.94Å |
| 266 | V | 93.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 32% | 0.321 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.7 | -49 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | S262 F268 M269 D270 | S262-V266 PolarHBondContact O-N 2.96Å; S262-V266 VanDerWaalsContact O-N 3.07Å; V266-F268 VanDerWaalsContact C-N 3.3Å; V266-F268 PolarHBondContact O-N 2.82Å; V266-M269 PolarHBondContact O-N 2.79Å; V266-D270 WeakPolarHBondContact O-CB 3.12Å; V266-D270 VanDerWaalsContact O-CG 3.29Å; V266-D270 PolarHBondContact O-N 2.89Å |
| 267 | T | 94.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 179.3 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | L198 N199 V202 Q263 V265 W271 | L198-T267 HydrophobicContact CB-CG2 3.87Å; N199-T267 HydrophobicContact CB-CG2 4.24Å; V202-T267 HydrophobicContact CB-CG2 4.25Å; V202-T267 HydrophobicContact CG2-CG2 3.95Å; Q263-T267 PolarHBondContact NE2-OG1 2.77Å; Q263-T267 WeakPolarHBondContact O-CB 3.33Å; Q263-T267 PolarHBondContact O-N 3.26Å; Q263-T267 PolarHBondContact O-OG1 2.66Å; V265-T267 PolarHBondContact O-N 3.44Å; T267-W271 WeakPolarHBondContact O-CB 3.3Å; T267-W271 PolarHBondContact O-N 3.22Å |
| 268 | F | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 176 | 172.7 | -120.5 | 0 | 0 | 0 | 111.8 | F244 I248 L256 A264 V265 V266 W271 L272 I310 M314 F330 | F244-F268 HydrophobicContact CE1-CD2 4.18Å; F244-F268 HydrophobicContact CE1-CE2 4.4Å; F244-F268 AromaticContact CZ-CD2 3.96Å; F244-F268 HydrophobicContact CZ-CD2 3.96Å; I248-F268 HydrophobicContact CD1-CB 4.49Å; I248-F268 HydrophobicContact CD1-CD2 3.53Å; I248-F268 HydrophobicContact CD1-CE2 4.02Å; I248-F268 HydrophobicContact CD1-CG 4.12Å; I248-F268 HydrophobicContact CG1-CD2 4.15Å; I248-F268 HydrophobicContact CG1-CE2 4.21Å; I248-F268 HydrophobicContact CG2-CE2 4.21Å; I248-F268 HydrophobicContact CG2-CZ 4.5Å; L256-F268 HydrophobicContact CD2-CD1 3.9Å; L256-F268 HydrophobicContact CD2-CE1 4.28Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 3.3Å; V265-F268 WeakPolarHBondContact O-CB 2.94Å; V265-F268 PolarHBondContact O-N 2.93Å; V265-F268 VanDerWaalsContact O-N 3.13Å; V266-F268 VanDerWaalsContact C-N 3.3Å; V266-F268 PolarHBondContact O-N 2.82Å; F268-W271 HydrophobicContact CD2-CE3 4.04Å; F268-W271 HydrophobicContact CD2-CZ3 4.49Å; F268-W271 AromaticContact CE2-CE3 3.9Å; F268-W271 HydrophobicContact CE2-CE3 3.9Å; F268-W271 AromaticContact CE2-CZ3 3.9Å; F268-W271 HydrophobicContact CE2-CZ3 3.9Å; F268-W271 PolarHBondContact O-N 2.91Å; F268-L272 WeakPolarHBondContact O-CB 3.45Å; F268-L272 PolarHBondContact O-N 2.96Å; F268-I310 HydrophobicContact CE2-CG2 3.79Å; F268-I310 HydrophobicContact CZ-CG2 3.75Å; F268-M314 HydrophobicContact CE1-CE 4.09Å; F268-M314 HydrophobicContact CE1-SD 4.37Å; F268-M314 HydrophobicContact CE2-CE 4.42Å; F268-M314 HydrophobicContact CZ-CE 3.69Å; F268-M314 HydrophobicContact CZ-CG 4.48Å; F268-M314 HydrophobicContact CZ-SD 4.34Å; F268-F330 HydrophobicContact CE1-CD2 4.18Å; F268-F330 AromaticContact CE1-CE2 3.7Å; F268-F330 HydrophobicContact CE1-CE2 3.7Å; F268-F330 HydrophobicContact CZ-CE2 4.25Å |
| 269 | M | 96.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.1 | -40.7 | 178.4 | -65.1 | -63.7 | 167.1 | 0 | 0 | 111.8 | V265 V266 W271 L272 S273 F330 A333 I334 S337 F339 | V265-M269 HydrophobicContact CG1-CG 4.33Å; V265-M269 WeakPolarHBondContact O-CG 3.09Å; V265-M269 PolarHBondContact O-N 3.43Å; V266-M269 PolarHBondContact O-N 2.79Å; M269-W271 VanDerWaalsContact C-N 3.31Å; M269-W271 PolarHBondContact O-N 3.05Å; M269-L272 PolarHBondContact O-N 3.16Å; M269-L272 VanDerWaalsContact O-N 3.16Å; M269-S273 WeakPolarHBondContact O-CB 3.33Å; M269-S273 PolarHBondContact O-N 3.28Å; M269-F330 HydrophobicContact CE-CD2 3.71Å; M269-F330 HydrophobicContact CE-CE2 3.57Å; M269-F330 HydrophobicContact SD-CE2 4.32Å; M269-A333 HydrophobicContact CE-CB 3.36Å; M269-I334 HydrophobicContact CE-CG1 4.39Å; M269-I334 HydrophobicContact SD-CG1 4.41Å; M269-S337 VanDerWaalsContact CG-OG 3.24Å; M269-S337 WeakPolarHBondContact CG-OG 3.37Å; M269-F339 HydrophobicContact CB-CZ 4.37Å; M269-F339 HydrophobicContact SD-CE2 4.34Å; M269-F339 HydrophobicContact SD-CZ 3.86Å |
| 270 | D | 95.6 | Very high | 90.5 | Very high | 81 Ų | 81 | 28.1 Ų | 28.1 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.5 | -39.8 | 172.4 | -76.2 | -13.2 | 0 | 0 | 0 | 112.2 | R206 V266 W274 | R206-D270 PolarHBondContact NH2-O 2.66Å; V266-D270 WeakPolarHBondContact O-CB 3.12Å; V266-D270 VanDerWaalsContact O-CG 3.29Å; V266-D270 PolarHBondContact O-N 2.89Å; D270-W274 WeakPolarHBondContact O-CB 3.29Å; D270-W274 PolarHBondContact O-N 3.19Å |
| 271 | W | 97 | Very high | 89.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 173.4 | 169.1 | 84.2 | 0 | 0 | 0 | 111.1 | V202 F244 T267 F268 M269 W274 T275 I307 I310 | V202-W271 HydrophobicContact CG1-CB 4.26Å; V202-W271 HydrophobicContact CG2-CB 3.76Å; V202-W271 HydrophobicContact CG2-CG 4.07Å; F244-W271 HydrophobicContact CD1-CD2 4.05Å; F244-W271 AromaticContact CD1-CE2 3.77Å; F244-W271 HydrophobicContact CD1-CE3 4.4Å; F244-W271 HydrophobicContact CD1-CH2 4.32Å; F244-W271 AromaticContact CD1-CZ2 3.93Å; F244-W271 HydrophobicContact CD1-CZ2 3.93Å; F244-W271 AromaticContact CE1-CD2 3.23Å; F244-W271 HydrophobicContact CE1-CD2 3.23Å; F244-W271 AromaticContact CE1-CE2 3.45Å; F244-W271 VanDerWaalsContact CE1-CE2 3.45Å; F244-W271 AromaticContact CE1-CE3 3.37Å; F244-W271 HydrophobicContact CE1-CE3 3.37Å; F244-W271 AromaticContact CE1-CG 3.81Å; F244-W271 HydrophobicContact CE1-CG 3.81Å; F244-W271 AromaticContact CE1-CH2 3.95Å; F244-W271 HydrophobicContact CE1-CH2 3.95Å; F244-W271 AromaticContact CE1-CZ2 3.81Å; F244-W271 HydrophobicContact CE1-CZ2 3.81Å; F244-W271 AromaticContact CE1-CZ3 3.73Å; F244-W271 HydrophobicContact CE1-CZ3 3.73Å; F244-W271 HydrophobicContact CE2-CD2 4.47Å; F244-W271 HydrophobicContact CE2-CG 4.2Å; F244-W271 HydrophobicContact CZ-CB 3.96Å; F244-W271 AromaticContact CZ-CD2 3.48Å; F244-W271 HydrophobicContact CZ-CD2 3.48Å; F244-W271 VanDerWaalsContact CZ-CD2 3.48Å; F244-W271 AromaticContact CZ-CE3 3.76Å; F244-W271 HydrophobicContact CZ-CE3 3.76Å; F244-W271 AromaticContact CZ-CG 3.55Å; F244-W271 HydrophobicContact CZ-CG 3.55Å; T267-W271 WeakPolarHBondContact O-CB 3.3Å; T267-W271 PolarHBondContact O-N 3.22Å; F268-W271 HydrophobicContact CD2-CE3 4.04Å; F268-W271 HydrophobicContact CD2-CZ3 4.49Å; F268-W271 AromaticContact CE2-CE3 3.9Å; F268-W271 HydrophobicContact CE2-CE3 3.9Å; F268-W271 AromaticContact CE2-CZ3 3.9Å; F268-W271 HydrophobicContact CE2-CZ3 3.9Å; F268-W271 PolarHBondContact O-N 2.91Å; M269-W271 VanDerWaalsContact C-N 3.31Å; M269-W271 PolarHBondContact O-N 3.05Å; W271-W274 PolarHBondContact O-N 3.31Å; W271-T275 VanDerWaalsContact CE2-OG1 3.3Å; W271-T275 HydrophobicContact CZ2-CG2 4.15Å; W271-T275 PolarHBondContact NE1-OG1 3.43Å; W271-T275 VanDerWaalsContact NE1-OG1 3.08Å; W271-T275 WeakPolarHBondContact O-CB 3.33Å; W271-T275 PolarHBondContact O-N 3.16Å; W271-T275 PolarHBondContact O-OG1 3.42Å; W271-I307 HydrophobicContact CH2-CG1 4.46Å; W271-I310 HydrophobicContact CH2-CD1 3.38Å; W271-I310 HydrophobicContact CZ2-CD1 4.08Å; W271-I310 HydrophobicContact CZ3-CD1 3.75Å; W271-I310 HydrophobicContact CZ3-CG2 4.45Å |
| 272 | L | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | -178.7 | -177.4 | 62.6 | 0 | 0 | 0 | 110.5 | F268 M269 T275 V276 I307 L311 F330 F339 I347 | F268-L272 WeakPolarHBondContact O-CB 3.45Å; F268-L272 PolarHBondContact O-N 2.96Å; M269-L272 PolarHBondContact O-N 3.16Å; M269-L272 VanDerWaalsContact O-N 3.16Å; L272-T275 PolarHBondContact O-N 3.47Å; L272-V276 HydrophobicContact CD1-CG2 4.02Å; L272-V276 WeakPolarHBondContact O-CB 3.32Å; L272-V276 VanDerWaalsContact O-CG2 3.27Å; L272-V276 WeakPolarHBondContact O-CG2 3.45Å; L272-V276 PolarHBondContact O-N 2.83Å; L272-I307 HydrophobicContact CD1-CG2 4.37Å; L272-L311 HydrophobicContact CD1-CD2 4.22Å; L272-L311 HydrophobicContact CD2-CD2 4.31Å; L272-F330 HydrophobicContact CD2-CE2 4.38Å; L272-F330 HydrophobicContact CD2-CZ 4.07Å; L272-F339 HydrophobicContact CD2-CZ 4.33Å; L272-I347 HydrophobicContact CD2-CD1 3.88Å; L272-I347 HydrophobicContact CD2-CG1 4.37Å; L272-I347 HydrophobicContact CD2-CG2 4.43Å; L272-I347 HydrophobicContact CG-CD1 3.86Å; L272-I347 HydrophobicContact CG-CG1 4.32Å |
| 273 | S | 95 | Very high | 86.2 | Confident | 24 Ų | 24 | 22.9 Ų | 22.9 | 17% | 0.168 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.2 | -54.4 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 111 | M269 T275 N277 | M269-S273 WeakPolarHBondContact O-CB 3.33Å; M269-S273 PolarHBondContact O-N 3.28Å; S273-T275 PolarHBondContact O-N 3.48Å; S273-N277 VanDerWaalsContact O-CB 3.24Å; S273-N277 WeakPolarHBondContact O-CB 3.37Å; S273-N277 PolarHBondContact O-N 3.48Å |
| 274 | W | 94.2 | Very high | 83.8 | Confident | 40 Ų | 40 | 23.1 Ų | 23.1 | 15% | 0.152 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 179.3 | 169.7 | 70.6 | 0 | 0 | 0 | 112.5 | L205 R206 Y209 D270 W271 N277 V278 F303 | L205-W274 HydrophobicContact CB-CH2 4.34Å; L205-W274 HydrophobicContact CB-CZ3 4.21Å; R206-W274 HydrophobicContact CB-CH2 4.4Å; R206-W274 HydrophobicContact CB-CZ2 4.25Å; R206-W274 HydrophobicContact CG-CD2 3.91Å; R206-W274 HydrophobicContact CG-CE3 4.04Å; R206-W274 HydrophobicContact CG-CH2 3.8Å; R206-W274 HydrophobicContact CG-CZ2 3.67Å; R206-W274 HydrophobicContact CG-CZ3 3.98Å; Y209-W274 AromaticContact CD1-CZ2 3.8Å; Y209-W274 HydrophobicContact CD1-CZ2 3.8Å; Y209-W274 HydrophobicContact CG-CH2 4.28Å; Y209-W274 AromaticContact CG-CZ2 3.9Å; Y209-W274 HydrophobicContact CG-CZ2 3.9Å; D270-W274 WeakPolarHBondContact O-CB 3.29Å; D270-W274 PolarHBondContact O-N 3.19Å; W271-W274 PolarHBondContact O-N 3.31Å; W274-N277 PolarHBondContact O-N 3.2Å; W274-V278 HydrophobicContact CZ2-CG2 4.45Å; W274-V278 WeakPolarHBondContact O-CG2 3.35Å; W274-V278 PolarHBondContact O-N 2.72Å; W274-F303 HydrophobicContact CH2-CE1 4.49Å; W274-F303 HydrophobicContact CH2-CE2 4.39Å; W274-F303 AromaticContact CH2-CZ 3.62Å; W274-F303 HydrophobicContact CH2-CZ 3.62Å; W274-F303 HydrophobicContact CZ3-CE2 4.2Å; W274-F303 AromaticContact CZ3-CZ 3.7Å; W274-F303 HydrophobicContact CZ3-CZ 3.7Å |
| 275 | T | 92.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | -173.7 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | W271 L272 S273 V278 S279 F303 F304 I307 | W271-T275 VanDerWaalsContact CE2-OG1 3.3Å; W271-T275 HydrophobicContact CZ2-CG2 4.15Å; W271-T275 PolarHBondContact NE1-OG1 3.43Å; W271-T275 VanDerWaalsContact NE1-OG1 3.08Å; W271-T275 WeakPolarHBondContact O-CB 3.33Å; W271-T275 PolarHBondContact O-N 3.16Å; W271-T275 PolarHBondContact O-OG1 3.42Å; L272-T275 PolarHBondContact O-N 3.47Å; S273-T275 PolarHBondContact O-N 3.48Å; T275-V278 WeakPolarHBondContact O-CG2 3.42Å; T275-S279 VanDerWaalsContact O-CB 3.27Å; T275-S279 WeakPolarHBondContact O-CB 3.35Å; T275-S279 PolarHBondContact O-N 2.75Å; T275-S279 PolarHBondContact O-OG 3.35Å; T275-F303 HydrophobicContact CG2-CE1 4.37Å; T275-F303 HydrophobicContact CG2-CE2 3.94Å; T275-F303 HydrophobicContact CG2-CZ 3.78Å; T275-F304 HydrophobicContact CG2-CD1 4.33Å; T275-I307 HydrophobicContact CG2-CD1 3.67Å; T275-I307 HydrophobicContact CG2-CG1 3.65Å |
| 276 | V | 90.9 | Very high | 79.6 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | L272 V278 S279 Y280 I307 V343 R346 I347 | L272-V276 HydrophobicContact CD1-CG2 4.02Å; L272-V276 WeakPolarHBondContact O-CB 3.32Å; L272-V276 VanDerWaalsContact O-CG2 3.27Å; L272-V276 WeakPolarHBondContact O-CG2 3.45Å; L272-V276 PolarHBondContact O-N 2.83Å; V276-V278 PolarHBondContact O-N 3.27Å; V276-S279 WeakPolarHBondContact CA-OG 3.39Å; V276-S279 PolarHBondContact O-N 3.36Å; V276-S279 PolarHBondContact O-OG 2.94Å; V276-Y280 HydrophobicContact CG1-CD2 4.06Å; V276-Y280 HydrophobicContact CG1-CE2 4.29Å; V276-Y280 WeakPolarHBondContact O-CD2 3.29Å; V276-Y280 PolarHBondContact O-N 3.35Å; V276-I307 HydrophobicContact CG2-CD1 4.19Å; V276-I307 HydrophobicContact CG2-CG2 4.01Å; V276-V343 HydrophobicContact CB-CG1 4.03Å; V276-V343 HydrophobicContact CG1-CG1 3.91Å; V276-R346 HydrophobicContact CG1-CB 3.98Å; V276-I347 HydrophobicContact CG1-CG1 4.46Å; V276-I347 HydrophobicContact CG2-CG1 3.99Å |
| 277 | N | 87.4 | Confident | 77.2 | Confident | 72 Ų | 72 | 35.8 Ų | 35.8 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.4 | -51.2 | 179 | -169.7 | 20.4 | 0 | 0 | 0 | 111.7 | S273 W274 S279 Y280 A281 V343 | S273-N277 VanDerWaalsContact O-CB 3.24Å; S273-N277 WeakPolarHBondContact O-CB 3.37Å; S273-N277 PolarHBondContact O-N 3.48Å; W274-N277 PolarHBondContact O-N 3.2Å; N277-S279 VanDerWaalsContact C-N 3.34Å; N277-S279 PolarHBondContact O-N 3.44Å; N277-Y280 PolarHBondContact O-N 3.21Å; N277-A281 WeakPolarHBondContact O-CB 3.41Å; N277-A281 PolarHBondContact O-N 3.22Å; N277-V343 HydrophobicContact CB-CG2 3.87Å |
| 278 | V | 85.1 | Confident | 75.1 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 12% | 0.121 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70 | -27.5 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | Y209 W274 T275 V276 Y280 G282 F303 F304 | Y209-V278 HydrophobicContact CE1-CB 4.05Å; Y209-V278 HydrophobicContact CE1-CG1 4.01Å; Y209-V278 HydrophobicContact CE1-CG2 4.33Å; Y209-V278 HydrophobicContact CE2-CG2 4.34Å; W274-V278 HydrophobicContact CZ2-CG2 4.45Å; W274-V278 WeakPolarHBondContact O-CG2 3.35Å; W274-V278 PolarHBondContact O-N 2.72Å; T275-V278 WeakPolarHBondContact O-CG2 3.42Å; V276-V278 PolarHBondContact O-N 3.27Å; V278-Y280 VanDerWaalsContact C-N 3.26Å; V278-Y280 PolarHBondContact O-N 3.31Å; V278-G282 CarbonylContact O-C 3.59Å; V278-G282 WeakPolarHBondContact O-CA 3.4Å; V278-G282 PolarHBondContact O-N 2.69Å; V278-F303 HydrophobicContact CG2-CE1 4.46Å; V278-F304 HydrophobicContact CG2-CE1 4.06Å |
| 279 | S | 83.9 | Confident | 73.1 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.1 | -26.1 | 176.1 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | T275 V276 N277 G283 F304 | T275-S279 VanDerWaalsContact O-CB 3.27Å; T275-S279 WeakPolarHBondContact O-CB 3.35Å; T275-S279 PolarHBondContact O-N 2.75Å; T275-S279 PolarHBondContact O-OG 3.35Å; V276-S279 WeakPolarHBondContact CA-OG 3.39Å; V276-S279 PolarHBondContact O-N 3.36Å; V276-S279 PolarHBondContact O-OG 2.94Å; N277-S279 VanDerWaalsContact C-N 3.34Å; N277-S279 PolarHBondContact O-N 3.44Å; S279-G283 WeakPolarHBondContact O-CA 3.38Å; S279-G283 PolarHBondContact O-N 3.02Å; S279-F304 VanDerWaalsContact CB-CD1 3.41Å; S279-F304 VanDerWaalsContact CB-CE1 3.47Å |
| 280 | Y | 74.3 | Confident | 71.4 | Confident | 21 Ų | 21 | 45 Ų | 45 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -109.2 | -26 | -178.3 | -72.1 | -81.2 | 0 | 0 | 0 | 113.4 | V276 N277 V278 G282 Y285 R346 K350 | V276-Y280 HydrophobicContact CG1-CD2 4.06Å; V276-Y280 HydrophobicContact CG1-CE2 4.29Å; V276-Y280 WeakPolarHBondContact O-CD2 3.29Å; V276-Y280 PolarHBondContact O-N 3.35Å; N277-Y280 PolarHBondContact O-N 3.21Å; V278-Y280 VanDerWaalsContact C-N 3.26Å; V278-Y280 PolarHBondContact O-N 3.31Å; Y280-G282 PolarHBondContact O-N 3.06Å; Y280-Y285 AromaticContact CD1-CD2 3.84Å; Y280-Y285 HydrophobicContact CD1-CD2 3.84Å; Y280-Y285 AromaticContact CD1-CE2 3.25Å; Y280-Y285 HydrophobicContact CD1-CE2 3.25Å; Y280-Y285 AromaticContact CD1-CZ 3.72Å; Y280-Y285 HydrophobicContact CE1-CD2 4.27Å; Y280-Y285 HydrophobicContact CE1-CE1 4.25Å; Y280-Y285 AromaticContact CE1-CE2 3.28Å; Y280-Y285 HydrophobicContact CE1-CE2 3.28Å; Y280-Y285 AromaticContact CE1-CZ 3.27Å; Y280-Y285 WeakPolarHBondContact CE1-OH 3.11Å; Y280-Y285 HydrophobicContact CG-CE2 4.27Å; Y280-R346 HydrophobicContact CD2-CG 4.43Å; Y280-R346 HydrophobicContact CE2-CB 4.24Å; Y280-R346 HydrophobicContact CE2-CG 4.4Å; Y280-K350 WeakPolarHBondContact OH-CE 3.28Å |
| 281 | A | 66.3 | Low | 70.2 | Confident | 70 Ų | 70 | 41.7 Ų | 41.7 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N277 | N277-A281 WeakPolarHBondContact O-CB 3.41Å; N277-A281 PolarHBondContact O-N 3.22Å |
| 282 | G | 49.4 | Very low | 69.1 | Low | 7 Ų | 7 | 44.7 Ų | 44.7 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -158.1 | 13.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | V278 Y280 G288 S289 | V278-G282 CarbonylContact O-C 3.59Å; V278-G282 WeakPolarHBondContact O-CA 3.4Å; V278-G282 PolarHBondContact O-N 2.69Å; Y280-G282 PolarHBondContact O-N 3.06Å; G282-G288 WeakPolarHBondContact CA-O 3.47Å; G282-S289 VanDerWaalsContact C-CB 3.43Å; G282-S289 VanDerWaalsContact O-CA 3.28Å; G282-S289 WeakPolarHBondContact O-CA 3.35Å; G282-S289 WeakPolarHBondContact O-CB 3.31Å |
| 283 | G | 46.5 | Very low | 68 | Low | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -106.5 | -169.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | S279 Y285 S289 | S279-G283 WeakPolarHBondContact O-CA 3.38Å; S279-G283 PolarHBondContact O-N 3.02Å; G283-Y285 PolarHBondContact O-N 3.48Å; G283-S289 WeakPolarHBondContact O-CB 3.33Å; G283-S289 PolarHBondContact O-N 3.4Å; G283-S289 PolarHBondContact O-OG 3.16Å |
| 284 | L | 40.3 | Very low | 67.1 | Low | 72 Ų | 72 | 56.3 Ų | 56.3 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -56.9 | 2.8 | -175.4 | -78.1 | 169.5 | 0 | 0 | 0 | 116.5 | E297 N300 | L284-E297 HydrophobicContact CD1-CG 4.49Å; L284-E297 HydrophobicContact CD2-CG 3.74Å; L284-N300 HydrophobicContact CD1-CB 3.6Å; L284-N300 WeakPolarHBondContact CD1-ND2 3.24Å; L284-N300 HydrophobicContact CG-CB 4.21Å |
| 285 | Y | 51.6 | Low | 66.3 | Low | 70 Ų | 70 | 55.3 Ų | 55.3 | 28% | 0.275 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -70.5 | 136.8 | 173.6 | -58.6 | -77.9 | 0 | 0 | 0 | 108.5 | Y280 G283 L287 G288 E402 | Y280-Y285 AromaticContact CD1-CD2 3.84Å; Y280-Y285 HydrophobicContact CD1-CD2 3.84Å; Y280-Y285 AromaticContact CD1-CE2 3.25Å; Y280-Y285 HydrophobicContact CD1-CE2 3.25Å; Y280-Y285 AromaticContact CD1-CZ 3.72Å; Y280-Y285 HydrophobicContact CE1-CD2 4.27Å; Y280-Y285 HydrophobicContact CE1-CE1 4.25Å; Y280-Y285 AromaticContact CE1-CE2 3.28Å; Y280-Y285 HydrophobicContact CE1-CE2 3.28Å; Y280-Y285 AromaticContact CE1-CZ 3.27Å; Y280-Y285 WeakPolarHBondContact CE1-OH 3.11Å; Y280-Y285 HydrophobicContact CG-CE2 4.27Å; G283-Y285 PolarHBondContact O-N 3.48Å; Y285-L287 PolarHBondContact O-N 3.45Å; Y285-G288 PolarHBondContact O-N 3.38Å; Y285-E402 HydrophobicContact CD1-CG 3.57Å; Y285-E402 HydrophobicContact CE1-CG 4.08Å; Y285-E402 WeakPolarHBondContact CE1-OE1 3.16Å; Y285-E402 HydrophobicContact CG-CG 4.35Å |
| 286 | P | 44.9 | Very low | 65.7 | Low | 129 Ų | 129 | 55.5 Ų | 55.5 | 84% | 0.838 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -8.3 | -166.7 | -28.8 | 33.4 | 0 | 0 | 0 | 117.8 | ||
| 287 | L | 42.5 | Very low | 65.2 | Low | 124 Ų | 124 | 60 Ų | 60 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 3.4 | 178.6 | -66.1 | 168.3 | 0 | 0 | 0 | 114.4 | Y285 P398 | Y285-L287 PolarHBondContact O-N 3.45Å; L287-P398 HydrophobicContact CD1-CB 4.16Å |
| 288 | G | 49.5 | Very low | 64.9 | Low | 11 Ų | 11 | 61 Ų | 61 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -57 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | G282 Y285 K290 | G282-G288 WeakPolarHBondContact CA-O 3.47Å; Y285-G288 PolarHBondContact O-N 3.38Å; G288-K290 PolarHBondContact O-N 3.23Å; G288-K290 VanDerWaalsContact O-N 3.15Å |
| 289 | S | 55.2 | Low | 64.9 | Low | 27 Ų | 27 | 60.1 Ų | 60.1 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | trans | -73.5 | 111.1 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 110.1 | G282 G283 F291 | G282-S289 VanDerWaalsContact C-CB 3.43Å; G282-S289 VanDerWaalsContact O-CA 3.28Å; G282-S289 WeakPolarHBondContact O-CA 3.35Å; G282-S289 WeakPolarHBondContact O-CB 3.31Å; G283-S289 WeakPolarHBondContact O-CB 3.33Å; G283-S289 PolarHBondContact O-N 3.4Å; G283-S289 PolarHBondContact O-OG 3.16Å; S289-F291 PolarHBondContact O-N 3.02Å; S289-F291 VanDerWaalsContact O-N 3.11Å | ||
| 290 | K | 60.1 | Low | 64.9 | Low | 165 Ų | 165 | 62.4 Ų | 62.4 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | trans | -64 | -4.1 | 158.2 | -62.9 | -178.6 | 177.7 | 179.9 | 0 | 111.7 | L217 G288 | L217-K290 HydrophobicContact CD1-CB 3.85Å; L217-K290 HydrophobicContact CD1-CD 4.12Å; L217-K290 HydrophobicContact CD2-CB 3.16Å; L217-K290 HydrophobicContact CD2-CG 4.44Å; L217-K290 WeakPolarHBondContact CD2-O 3.46Å; L217-K290 HydrophobicContact CG-CB 4.1Å; G288-K290 PolarHBondContact O-N 3.23Å; G288-K290 VanDerWaalsContact O-N 3.15Å | ||
| 291 | F | 70.4 | Confident | 65.4 | Low | 12 Ų | 12 | 66.5 Ų | 66.5 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -68.7 | 146.8 | 173.8 | -67.5 | -73.7 | 0 | 0 | 0 | 111.9 | Y209 C212 R213 Y216 S289 I295 I299 | Y209-F291 HydrophobicContact CE2-CE2 4.32Å; Y209-F291 HydrophobicContact CE2-CZ 4.46Å; C212-F291 HydrophobicContact CB-CE1 4.38Å; R213-F291 HydrophobicContact CB-CZ 4.22Å; Y216-F291 AromaticContact CD2-CD1 3.73Å; Y216-F291 HydrophobicContact CD2-CD1 3.73Å; Y216-F291 AromaticContact CD2-CE1 3.82Å; Y216-F291 HydrophobicContact CD2-CE1 3.82Å; Y216-F291 HydrophobicContact CG-CD1 4.06Å; Y216-F291 HydrophobicContact CG-CE1 4.39Å; S289-F291 PolarHBondContact O-N 3.02Å; S289-F291 VanDerWaalsContact O-N 3.11Å; F291-I295 HydrophobicContact CD1-CG2 4.1Å; F291-I299 HydrophobicContact CE1-CD1 4.44Å; F291-I299 HydrophobicContact CE2-CD1 4.42Å; F291-I299 HydrophobicContact CZ-CD1 4.35Å |
| 292 | P | 73.8 | Confident | 66.1 | Low | 65 Ų | 65 | 64.6 Ų | 64.6 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | trans | -61.5 | 143.8 | 168.1 | -17.3 | 29.2 | 0 | 0 | 0 | 111.7 | Y216 K294 I295 G296 | Y216-P292 HydrophobicContact CD1-CG 4.33Å; P292-K294 VanDerWaalsContact C-N 3.34Å; P292-K294 PolarHBondContact O-N 3.21Å; P292-K294 VanDerWaalsContact O-N 3.15Å; P292-I295 HydrophobicContact CB-CD1 4Å; P292-I295 HydrophobicContact CG-CD1 3.78Å; P292-I295 PolarHBondContact O-N 3.4Å; P292-G296 PolarHBondContact O-N 3.39Å | ||
| 293 | V | 75.1 | Confident | 68 | Low | 99 Ų | 99 | 64.2 Ų | 64.2 | 60% | 0.6 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -46.6 | -49.3 | -172.5 | 179 | 0 | 0 | 0 | 0 | 113.8 | I295 G296 E297 | V293-I295 VanDerWaalsContact C-N 3.32Å; V293-I295 PolarHBondContact O-N 3.27Å; V293-G296 PolarHBondContact O-N 3.09Å; V293-G296 VanDerWaalsContact O-N 3.16Å; V293-E297 PolarHBondContact O-N 3.21Å |
| 294 | K | 76 | Confident | 70.1 | Confident | 168 Ų | 168 | 64.5 Ų | 64.5 | 73% | 0.73 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.6 | -41.8 | -178.3 | -67.4 | -174.5 | 177.2 | -176.5 | 0 | 113 | P292 E297 E298 | P292-K294 VanDerWaalsContact C-N 3.34Å; P292-K294 PolarHBondContact O-N 3.21Å; P292-K294 VanDerWaalsContact O-N 3.15Å; K294-E297 PolarHBondContact O-N 2.91Å; K294-E298 PolarHBondContact O-N 3.48Å |
| 295 | I | 77 | Confident | 72.5 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 179.2 | -68.6 | 139.7 | 0 | 0 | 0 | 110.3 | Y216 I234 F291 P292 V293 E297 E298 I299 | Y216-I295 HydrophobicContact CD1-CD1 3.67Å; Y216-I295 HydrophobicContact CD2-CD1 4.25Å; Y216-I295 HydrophobicContact CD2-CG2 4.06Å; Y216-I295 HydrophobicContact CE1-CD1 3.13Å; Y216-I295 HydrophobicContact CE1-CG1 4.17Å; Y216-I295 HydrophobicContact CE2-CB 4.4Å; Y216-I295 HydrophobicContact CE2-CD1 3.72Å; Y216-I295 HydrophobicContact CE2-CG1 3.98Å; Y216-I295 HydrophobicContact CE2-CG2 3.65Å; Y216-I295 HydrophobicContact CG-CD1 4.22Å; Y216-I295 WeakPolarHBondContact OH-CD1 3.31Å; I234-I295 HydrophobicContact CD1-CG1 4.45Å; I234-I295 HydrophobicContact CD1-CG2 3.93Å; F291-I295 HydrophobicContact CD1-CG2 4.1Å; P292-I295 HydrophobicContact CB-CD1 4Å; P292-I295 HydrophobicContact CG-CD1 3.78Å; P292-I295 PolarHBondContact O-N 3.4Å; V293-I295 VanDerWaalsContact C-N 3.32Å; V293-I295 PolarHBondContact O-N 3.27Å; I295-E297 VanDerWaalsContact C-N 3.26Å; I295-E297 PolarHBondContact O-N 3.1Å; I295-E298 PolarHBondContact O-N 3.38Å; I295-I299 HydrophobicContact CG2-CD1 3.78Å; I295-I299 HydrophobicContact CG2-CG1 4.3Å; I295-I299 WeakPolarHBondContact O-CG1 3.44Å; I295-I299 PolarHBondContact O-N 2.83Å |
| 296 | G | 79 | Confident | 74.5 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.5 | -42.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P292 V293 N300 | P292-G296 PolarHBondContact O-N 3.39Å; V293-G296 PolarHBondContact O-N 3.09Å; V293-G296 VanDerWaalsContact O-N 3.16Å; G296-N300 WeakPolarHBondContact O-CB 3.46Å; G296-N300 PolarHBondContact O-N 3.46Å |
| 297 | E | 81.4 | Confident | 76.8 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.3 | -70.8 | 176.1 | 176.1 | 0 | 0 | 112.5 | L284 V293 K294 I295 N300 N301 | L284-E297 HydrophobicContact CD1-CG 4.49Å; L284-E297 HydrophobicContact CD2-CG 3.74Å; V293-E297 PolarHBondContact O-N 3.21Å; K294-E297 PolarHBondContact O-N 2.91Å; I295-E297 VanDerWaalsContact C-N 3.26Å; I295-E297 PolarHBondContact O-N 3.1Å; E297-N300 PolarHBondContact O-N 3.38Å; E297-N301 WeakPolarHBondContact O-CB 3.27Å; E297-N301 PolarHBondContact O-N 2.95Å; E297-N301 PolarHBondContact O-ND2 3.08Å |
| 298 | E | 81.6 | Confident | 79.2 | Confident | 93 Ų | 93 | 52 Ų | 52 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 178.2 | -73.5 | -177.2 | -172.6 | 0 | 0 | 112.8 | I234 K294 I295 N300 N301 | I234-E298 HydrophobicContact CG2-CB 4.38Å; K294-E298 PolarHBondContact O-N 3.48Å; I295-E298 PolarHBondContact O-N 3.38Å; E298-N300 VanDerWaalsContact C-N 3.29Å; E298-N300 PolarHBondContact O-N 3.44Å; E298-N301 PolarHBondContact O-N 3.49Å |
| 299 | I | 84.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 175.5 | -65.7 | 175.7 | 0 | 0 | 0 | 109.6 | L237 F291 I295 F303 F304 | L237-I299 HydrophobicContact CD2-CG2 4.38Å; F291-I299 HydrophobicContact CE1-CD1 4.44Å; F291-I299 HydrophobicContact CE2-CD1 4.42Å; F291-I299 HydrophobicContact CZ-CD1 4.35Å; I295-I299 HydrophobicContact CG2-CD1 3.78Å; I295-I299 HydrophobicContact CG2-CG1 4.3Å; I295-I299 WeakPolarHBondContact O-CG1 3.44Å; I295-I299 PolarHBondContact O-N 2.83Å; I299-F303 HydrophobicContact CG2-CB 4.05Å; I299-F303 HydrophobicContact CG2-CD1 3.71Å; I299-F303 HydrophobicContact CG2-CG 4.38Å; I299-F303 WeakPolarHBondContact O-CA 3.15Å; I299-F303 WeakPolarHBondContact O-CB 3.44Å; I299-F303 PolarHBondContact O-N 2.95Å; I299-F304 HydrophobicContact CG2-CD2 3.94Å; I299-F304 HydrophobicContact CG2-CE1 4.5Å; I299-F304 HydrophobicContact CG2-CE2 3.57Å; I299-F304 HydrophobicContact CG2-CZ 3.88Å; I299-F304 PolarHBondContact O-N 3.29Å; I299-F304 VanDerWaalsContact O-N 3.09Å |
| 300 | N | 84.5 | Confident | 83.4 | Confident | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -65 | -44.4 | 179.7 | -171.2 | 68.8 | 0 | 0 | 0 | 112.8 | L284 G296 E297 E298 S302 F304 L305 | L284-N300 HydrophobicContact CD1-CB 3.6Å; L284-N300 WeakPolarHBondContact CD1-ND2 3.24Å; L284-N300 HydrophobicContact CG-CB 4.21Å; G296-N300 WeakPolarHBondContact O-CB 3.46Å; G296-N300 PolarHBondContact O-N 3.46Å; E297-N300 PolarHBondContact O-N 3.38Å; E298-N300 VanDerWaalsContact C-N 3.29Å; E298-N300 PolarHBondContact O-N 3.44Å; N300-S302 PolarHBondContact O-N 3.38Å; N300-S302 VanDerWaalsContact O-N 3.11Å; N300-F304 HydrophobicContact CB-CD2 4.4Å; N300-L305 PolarHBondContact O-N 2.89Å |
| 301 | N | 84.2 | Confident | 85 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 57% | 0.572 | 24% | 0.236 | S | C | * | . | I | π-helix | trans | -70.7 | -6.3 | -173.9 | -70.4 | -21.8 | 0 | 0 | 0 | 114.6 | E297 E298 L305 | E297-N301 WeakPolarHBondContact O-CB 3.27Å; E297-N301 PolarHBondContact O-N 2.95Å; E297-N301 PolarHBondContact O-ND2 3.08Å; E298-N301 PolarHBondContact O-N 3.49Å; N301-L305 VanDerWaalsContact O-CD2 3.3Å; N301-L305 WeakPolarHBondContact O-CD2 3.41Å |
| 302 | S | 80.3 | Confident | 86.2 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -141.2 | -56.2 | 179.5 | 165.6 | 0 | 0 | 0 | 0 | 113 | N238 N300 S306 | N238-S302 WeakPolarHBondContact CA-OG 3.23Å; N238-S302 WeakPolarHBondContact CB-OG 3.47Å; N238-S302 VanDerWaalsContact CG-CB 3.46Å; N238-S302 WeakPolarHBondContact OD1-CB 3.43Å; N238-S302 PolarHBondContact OD1-OG 3.07Å; N300-S302 PolarHBondContact O-N 3.38Å; N300-S302 VanDerWaalsContact O-N 3.11Å; S302-S306 PolarHBondContact O-N 3.22Å |
| 303 | F | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -66.4 | -57.1 | 179.4 | 174.5 | -131.9 | 0 | 0 | 0 | 111.6 | L205 Y209 L237 S241 W274 T275 V278 I299 L305 S306 | L205-F303 HydrophobicContact CD2-CD2 4.33Å; L205-F303 HydrophobicContact CD2-CE2 4.1Å; Y209-F303 HydrophobicContact CD2-CD1 4.4Å; Y209-F303 AromaticContact CD2-CE1 3.76Å; Y209-F303 HydrophobicContact CD2-CE1 3.76Å; Y209-F303 HydrophobicContact CE2-CE1 4.14Å; L237-F303 HydrophobicContact CD1-CD1 4.46Å; L237-F303 HydrophobicContact CD1-CD2 4.16Å; L237-F303 HydrophobicContact CD1-CE1 4.49Å; L237-F303 HydrophobicContact CD1-CE2 4.19Å; L237-F303 HydrophobicContact CD1-CG 4.27Å; L237-F303 HydrophobicContact CD1-CZ 4.35Å; L237-F303 HydrophobicContact CD2-CB 3.92Å; L237-F303 HydrophobicContact CD2-CD1 3.72Å; L237-F303 HydrophobicContact CD2-CD2 4.49Å; L237-F303 HydrophobicContact CD2-CE1 4.31Å; L237-F303 HydrophobicContact CD2-CG 3.79Å; L237-F303 HydrophobicContact CG-CB 4.04Å; L237-F303 HydrophobicContact CG-CD1 4.25Å; L237-F303 HydrophobicContact CG-CD2 4.14Å; L237-F303 HydrophobicContact CG-CG 3.88Å; S241-F303 WeakPolarHBondContact OG-CD2 3.32Å; W274-F303 HydrophobicContact CH2-CE1 4.49Å; W274-F303 HydrophobicContact CH2-CE2 4.39Å; W274-F303 AromaticContact CH2-CZ 3.62Å; W274-F303 HydrophobicContact CH2-CZ 3.62Å; W274-F303 HydrophobicContact CZ3-CE2 4.2Å; W274-F303 AromaticContact CZ3-CZ 3.7Å; W274-F303 HydrophobicContact CZ3-CZ 3.7Å; T275-F303 HydrophobicContact CG2-CE1 4.37Å; T275-F303 HydrophobicContact CG2-CE2 3.94Å; T275-F303 HydrophobicContact CG2-CZ 3.78Å; V278-F303 HydrophobicContact CG2-CE1 4.46Å; I299-F303 HydrophobicContact CG2-CB 4.05Å; I299-F303 HydrophobicContact CG2-CD1 3.71Å; I299-F303 HydrophobicContact CG2-CG 4.38Å; I299-F303 WeakPolarHBondContact O-CA 3.15Å; I299-F303 WeakPolarHBondContact O-CB 3.44Å; I299-F303 PolarHBondContact O-N 2.95Å; F303-L305 VanDerWaalsContact C-N 3.33Å; F303-L305 PolarHBondContact O-N 3Å; F303-S306 VanDerWaalsContact O-CB 3.27Å; F303-S306 WeakPolarHBondContact O-CB 3.47Å; F303-S306 PolarHBondContact O-N 3.15Å; F303-S306 VanDerWaalsContact O-N 3.17Å; F303-S306 PolarHBondContact O-OG 2.96Å |
| 304 | F | 90.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -72.6 | -27.6 | -179.3 | -60.4 | -42.2 | 0 | 0 | 0 | 113.3 | Y209 T275 V278 S279 I299 N300 S306 I307 | Y209-F304 HydrophobicContact CE2-CZ 4.41Å; T275-F304 HydrophobicContact CG2-CD1 4.33Å; V278-F304 HydrophobicContact CG2-CE1 4.06Å; S279-F304 VanDerWaalsContact CB-CD1 3.41Å; S279-F304 VanDerWaalsContact CB-CE1 3.47Å; I299-F304 HydrophobicContact CG2-CD2 3.94Å; I299-F304 HydrophobicContact CG2-CE1 4.5Å; I299-F304 HydrophobicContact CG2-CE2 3.57Å; I299-F304 HydrophobicContact CG2-CZ 3.88Å; I299-F304 PolarHBondContact O-N 3.29Å; I299-F304 VanDerWaalsContact O-N 3.09Å; N300-F304 HydrophobicContact CB-CD2 4.4Å; F304-S306 PolarHBondContact O-N 3.32Å; F304-S306 VanDerWaalsContact O-N 3.14Å; F304-I307 HydrophobicContact CD1-CD1 4.36Å; F304-I307 VanDerWaalsContact O-CB 3.31Å; F304-I307 WeakPolarHBondContact O-CB 3.36Å; F304-I307 WeakPolarHBondContact O-CG1 3.48Å; F304-I307 PolarHBondContact O-N 3.35Å |
| 305 | L | 91.3 | Very high | 88.9 | Confident | 76 Ų | 76 | 32.6 Ų | 32.6 | 40% | 0.398 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.3 | -27.8 | 170.6 | -175 | 64.9 | 0 | 0 | 0 | 112.6 | N300 N301 F303 I307 D308 I309 | N300-L305 PolarHBondContact O-N 2.89Å; N301-L305 VanDerWaalsContact O-CD2 3.3Å; N301-L305 WeakPolarHBondContact O-CD2 3.41Å; F303-L305 VanDerWaalsContact C-N 3.33Å; F303-L305 PolarHBondContact O-N 3Å; L305-I307 PolarHBondContact O-N 2.93Å; L305-D308 PolarHBondContact O-N 3.45Å; L305-D308 VanDerWaalsContact O-N 3.14Å; L305-I309 HydrophobicContact CD2-CD1 4.18Å; L305-I309 HydrophobicContact CG-CD1 3.89Å; L305-I309 HydrophobicContact CG-CG1 4.23Å; L305-I309 WeakPolarHBondContact O-CG1 3.34Å; L305-I309 PolarHBondContact O-N 3.18Å |
| 306 | S | 93.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -33.3 | 175.5 | 71.2 | 0 | 0 | 0 | 0 | 113 | T245 S302 F303 F304 I310 | T245-S306 WeakPolarHBondContact OG1-CB 3.14Å; S302-S306 PolarHBondContact O-N 3.22Å; F303-S306 VanDerWaalsContact O-CB 3.27Å; F303-S306 WeakPolarHBondContact O-CB 3.47Å; F303-S306 PolarHBondContact O-N 3.15Å; F303-S306 VanDerWaalsContact O-N 3.17Å; F303-S306 PolarHBondContact O-OG 2.96Å; F304-S306 PolarHBondContact O-N 3.32Å; F304-S306 VanDerWaalsContact O-N 3.14Å; S306-I310 VanDerWaalsContact O-CB 3.29Å; S306-I310 WeakPolarHBondContact O-CB 3.5Å; S306-I310 VanDerWaalsContact O-CG1 3.27Å; S306-I310 WeakPolarHBondContact O-CG1 3.35Å; S306-I310 PolarHBondContact O-N 3.27Å |
| 307 | I | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 175.2 | -54 | 172.6 | 0 | 0 | 0 | 109.4 | W271 L272 T275 V276 F304 L305 I310 L311 K350 | W271-I307 HydrophobicContact CH2-CG1 4.46Å; L272-I307 HydrophobicContact CD1-CG2 4.37Å; T275-I307 HydrophobicContact CG2-CD1 3.67Å; T275-I307 HydrophobicContact CG2-CG1 3.65Å; V276-I307 HydrophobicContact CG2-CD1 4.19Å; V276-I307 HydrophobicContact CG2-CG2 4.01Å; F304-I307 HydrophobicContact CD1-CD1 4.36Å; F304-I307 VanDerWaalsContact O-CB 3.31Å; F304-I307 WeakPolarHBondContact O-CB 3.36Å; F304-I307 WeakPolarHBondContact O-CG1 3.48Å; F304-I307 PolarHBondContact O-N 3.35Å; L305-I307 PolarHBondContact O-N 2.93Å; I307-I310 PolarHBondContact O-N 3.11Å; I307-L311 HydrophobicContact CG2-CD1 3.78Å; I307-L311 HydrophobicContact CG2-CG 4.25Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.3Å; I307-L311 WeakPolarHBondContact O-CG 3.47Å; I307-L311 PolarHBondContact O-N 3.48Å; I307-K350 HydrophobicContact CG2-CD 4.07Å |
| 308 | D | 92.5 | Very high | 90.1 | Very high | 54 Ų | 54 | 36.8 Ų | 36.8 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.8 | -43.1 | -176.9 | -64.7 | -50.2 | 0 | 0 | 0 | 111.7 | L305 I310 S312 K350 | L305-D308 PolarHBondContact O-N 3.45Å; L305-D308 VanDerWaalsContact O-N 3.14Å; D308-I310 PolarHBondContact O-N 3.41Å; D308-S312 WeakPolarHBondContact O-CB 3.23Å; D308-S312 PolarHBondContact O-N 3.04Å; D308-K350 VanDerWaalsContact CG-NZ 3.26Å; D308-K350 WeakPolarHBondContact OD1-CD 3.47Å; D308-K350 WeakPolarHBondContact OD1-CE 3.39Å; D308-K350 IonicContact OD1-NZ 3.35Å; D308-K350 PolarHBondContact OD1-NZ 3.28Å; D308-K350 IonicContact OD2-NZ 3.94Å; D308-K350 PolarHBondContact OD2-NZ 2.62Å |
| 309 | I | 95.1 | Very high | 89.8 | Confident | 60 Ų | 60 | 34 Ų | 34 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 177 | -64.1 | 167.5 | 0 | 0 | 0 | 110.8 | T245 L305 H313 | T245-I309 HydrophobicContact CG2-CB 4.14Å; T245-I309 HydrophobicContact CG2-CG2 3.5Å; L305-I309 HydrophobicContact CD2-CD1 4.18Å; L305-I309 HydrophobicContact CG-CD1 3.89Å; L305-I309 HydrophobicContact CG-CG1 4.23Å; L305-I309 WeakPolarHBondContact O-CG1 3.34Å; L305-I309 PolarHBondContact O-N 3.18Å; I309-H313 PolarHBondContact O-N 3.23Å; I309-H313 VanDerWaalsContact O-N 3.08Å |
| 310 | I | 96.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.4 | -50 | -179.4 | -73.5 | 167.3 | 0 | 0 | 0 | 110.2 | F244 T245 I248 F268 W271 S306 I307 D308 S312 H313 M314 | F244-I310 HydrophobicContact CD1-CD1 3.72Å; F244-I310 HydrophobicContact CE1-CD1 3.81Å; T245-I310 HydrophobicContact CG2-CG1 4.2Å; I248-I310 HydrophobicContact CB-CD1 4.45Å; I248-I310 HydrophobicContact CB-CG1 4.48Å; I248-I310 HydrophobicContact CG1-CD1 4.3Å; I248-I310 HydrophobicContact CG2-CG1 4.31Å; I248-I310 HydrophobicContact CG2-CG2 4.02Å; F268-I310 HydrophobicContact CE2-CG2 3.79Å; F268-I310 HydrophobicContact CZ-CG2 3.75Å; W271-I310 HydrophobicContact CH2-CD1 3.38Å; W271-I310 HydrophobicContact CZ2-CD1 4.08Å; W271-I310 HydrophobicContact CZ3-CD1 3.75Å; W271-I310 HydrophobicContact CZ3-CG2 4.45Å; S306-I310 VanDerWaalsContact O-CB 3.29Å; S306-I310 WeakPolarHBondContact O-CB 3.5Å; S306-I310 VanDerWaalsContact O-CG1 3.27Å; S306-I310 WeakPolarHBondContact O-CG1 3.35Å; S306-I310 PolarHBondContact O-N 3.27Å; I307-I310 PolarHBondContact O-N 3.11Å; D308-I310 PolarHBondContact O-N 3.41Å; I310-S312 VanDerWaalsContact C-N 3.29Å; I310-S312 PolarHBondContact O-N 3.42Å; I310-H313 CarbonylContact O-C 3.47Å; I310-H313 WeakPolarHBondContact O-CA 3.26Å; I310-H313 WeakPolarHBondContact O-CB 3.29Å; I310-H313 PolarHBondContact O-N 3.43Å; I310-M314 HydrophobicContact CG2-CE 3.77Å; I310-M314 HydrophobicContact CG2-CG 4.12Å; I310-M314 VanDerWaalsContact O-CG 3.28Å; I310-M314 WeakPolarHBondContact O-CG 3.44Å; I310-M314 PolarHBondContact O-N 3.46Å |
| 311 | L | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 179.7 | -69.3 | -179.7 | 0 | 0 | 0 | 112 | L272 I307 H313 M314 I315 F330 I347 K350 I351 | L272-L311 HydrophobicContact CD1-CD2 4.22Å; L272-L311 HydrophobicContact CD2-CD2 4.31Å; I307-L311 HydrophobicContact CG2-CD1 3.78Å; I307-L311 HydrophobicContact CG2-CG 4.25Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.3Å; I307-L311 WeakPolarHBondContact O-CG 3.47Å; I307-L311 PolarHBondContact O-N 3.48Å; L311-H313 VanDerWaalsContact C-N 3.29Å; L311-H313 PolarHBondContact O-N 2.73Å; L311-M314 PolarHBondContact O-N 3.05Å; L311-I315 PolarHBondContact O-N 3.19Å; L311-I315 VanDerWaalsContact O-N 3.17Å; L311-F330 HydrophobicContact CD2-CE1 4.05Å; L311-F330 HydrophobicContact CD2-CZ 3.87Å; L311-I347 HydrophobicContact CD2-CG2 4.34Å; L311-K350 HydrophobicContact CD1-CB 3.71Å; L311-K350 HydrophobicContact CD1-CD 3.94Å; L311-K350 HydrophobicContact CD1-CG 4.47Å; L311-I351 HydrophobicContact CD2-CG1 4.41Å |
| 312 | S | 94.6 | Very high | 87.1 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -34.6 | 172.6 | 178 | 0 | 0 | 0 | 0 | 112.3 | D308 I310 I315 N354 | D308-S312 WeakPolarHBondContact O-CB 3.23Å; D308-S312 PolarHBondContact O-N 3.04Å; I310-S312 VanDerWaalsContact C-N 3.29Å; I310-S312 PolarHBondContact O-N 3.42Å; S312-I315 WeakPolarHBondContact O-CG1 3.48Å; S312-N354 PolarHBondContact N-ND2 2.73Å |
| 313 | H | 94.8 | Very high | 86 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.8 | -41.6 | 170.9 | -179.3 | 81.7 | 0 | 0 | 0 | 111.9 | R249 T252 I309 I310 L311 I315 T316 | R249-H313 HydrophobicContact CG-CB 4.09Å; T252-H313 PolarHBondContact OG1-NE2 3.38Å; I309-H313 PolarHBondContact O-N 3.23Å; I309-H313 VanDerWaalsContact O-N 3.08Å; I310-H313 CarbonylContact O-C 3.47Å; I310-H313 WeakPolarHBondContact O-CA 3.26Å; I310-H313 WeakPolarHBondContact O-CB 3.29Å; I310-H313 PolarHBondContact O-N 3.43Å; L311-H313 VanDerWaalsContact C-N 3.29Å; L311-H313 PolarHBondContact O-N 2.73Å; H313-I315 VanDerWaalsContact C-N 3.3Å; H313-I315 PolarHBondContact O-N 3.38Å; H313-T316 WeakPolarHBondContact O-CB 3.43Å; H313-T316 PolarHBondContact O-N 3.18Å; H313-T316 PolarHBondContact O-OG1 3.23Å |
| 314 | M | 93.7 | Very high | 84.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -33 | -176.9 | -68.6 | -56.3 | 148.1 | 0 | 0 | 113.6 | I248 T252 L256 F268 I310 L311 T316 L317 F330 | I248-M314 HydrophobicContact CG2-CE 3.12Å; T252-M314 HydrophobicContact CG2-CE 4.21Å; T252-M314 HydrophobicContact CG2-SD 4.4Å; L256-M314 HydrophobicContact CD1-CE 4.41Å; L256-M314 HydrophobicContact CD1-SD 3.78Å; F268-M314 HydrophobicContact CE1-CE 4.09Å; F268-M314 HydrophobicContact CE1-SD 4.37Å; F268-M314 HydrophobicContact CE2-CE 4.42Å; F268-M314 HydrophobicContact CZ-CE 3.69Å; F268-M314 HydrophobicContact CZ-CG 4.48Å; F268-M314 HydrophobicContact CZ-SD 4.34Å; I310-M314 HydrophobicContact CG2-CE 3.77Å; I310-M314 HydrophobicContact CG2-CG 4.12Å; I310-M314 VanDerWaalsContact O-CG 3.28Å; I310-M314 WeakPolarHBondContact O-CG 3.44Å; I310-M314 PolarHBondContact O-N 3.46Å; L311-M314 PolarHBondContact O-N 3.05Å; M314-T316 PolarHBondContact O-N 2.97Å; M314-L317 WeakPolarHBondContact O-CB 3.37Å; M314-L317 WeakPolarHBondContact O-CG 3.29Å; M314-L317 PolarHBondContact O-N 3.49Å; M314-L317 HydrophobicContact SD-CD1 3.52Å; M314-L317 VanDerWaalsContact SD-CD1 3.52Å; M314-F330 HydrophobicContact CB-CD1 3.46Å; M314-F330 VanDerWaalsContact CB-CD1 3.46Å; M314-F330 HydrophobicContact CB-CE1 3.54Å; M314-F330 HydrophobicContact CB-CG 3.99Å; M314-F330 HydrophobicContact CB-CZ 4.15Å; M314-F330 HydrophobicContact CG-CD1 3.98Å; M314-F330 HydrophobicContact CG-CD2 4.23Å; M314-F330 HydrophobicContact CG-CE1 3.84Å; M314-F330 HydrophobicContact CG-CE2 4.14Å; M314-F330 HydrophobicContact CG-CG 4.15Å; M314-F330 HydrophobicContact CG-CZ 3.93Å; M314-F330 HydrophobicContact SD-CD2 4.09Å; M314-F330 HydrophobicContact SD-CE2 4.42Å; M314-F330 HydrophobicContact SD-CG 4.16Å |
| 315 | I | 92 | Very high | 82.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.1 | 176.5 | 60.1 | 160.2 | 0 | 0 | 0 | 113.2 | L311 S312 H313 L317 I351 N354 I355 F361 W365 | L311-I315 PolarHBondContact O-N 3.19Å; L311-I315 VanDerWaalsContact O-N 3.17Å; S312-I315 WeakPolarHBondContact O-CG1 3.48Å; H313-I315 VanDerWaalsContact C-N 3.3Å; H313-I315 PolarHBondContact O-N 3.38Å; I315-L317 VanDerWaalsContact C-N 3.34Å; I315-I351 HydrophobicContact CG2-CG2 3.91Å; I315-N354 HydrophobicContact CD1-CB 3.87Å; I315-I355 HydrophobicContact CB-CG1 4.24Å; I315-I355 HydrophobicContact CD1-CG1 4.39Å; I315-I355 HydrophobicContact CG2-CD1 4.39Å; I315-I355 HydrophobicContact CG2-CG1 3.88Å; I315-F361 HydrophobicContact CD1-CD2 4.05Å; I315-F361 HydrophobicContact CG1-CD2 4.47Å; I315-W365 HydrophobicContact CG2-CZ2 3.99Å |
| 316 | T | 90.5 | Very high | 81.1 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.9 | -179.2 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | H313 M314 F361 R364 | H313-T316 WeakPolarHBondContact O-CB 3.43Å; H313-T316 PolarHBondContact O-N 3.18Å; H313-T316 PolarHBondContact O-OG1 3.23Å; M314-T316 PolarHBondContact O-N 2.97Å; T316-F361 HydrophobicContact CG2-CE2 3.95Å; T316-F361 HydrophobicContact CG2-CZ 4.03Å; T316-R364 PolarHBondContact O-NH1 3.48Å |
| 317 | L | 89 | Confident | 80.1 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 146.9 | -179.2 | -61.1 | 178.9 | 0 | 0 | 0 | 111.8 | T252 L256 M314 I315 F330 R364 | T252-L317 HydrophobicContact CG2-CD1 3.72Å; T252-L317 HydrophobicContact CG2-CD2 3.66Å; T252-L317 HydrophobicContact CG2-CG 4.32Å; L256-L317 HydrophobicContact CD1-CD1 3.64Å; M314-L317 WeakPolarHBondContact O-CB 3.37Å; M314-L317 WeakPolarHBondContact O-CG 3.29Å; M314-L317 PolarHBondContact O-N 3.49Å; M314-L317 HydrophobicContact SD-CD1 3.52Å; M314-L317 VanDerWaalsContact SD-CD1 3.52Å; I315-L317 VanDerWaalsContact C-N 3.34Å; L317-F330 HydrophobicContact CD1-CB 4.09Å; L317-R364 PolarHBondContact O-NH1 2.93Å |
| 318 | H | 83.1 | Confident | 79.7 | Confident | 125 Ų | 125 | 62.2 Ų | 62.2 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 158.8 | 176 | -78.3 | -100.3 | 0 | 0 | 0 | 110.5 | R364 | H318-R364 PolarHBondContact CE1-NH2 2.85Å; H318-R364 PolarHBondContact NE2-NH2 3.42Å |
| 319 | P | 76.9 | Confident | 79.3 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 153.3 | 164.9 | -20.1 | 33.5 | 0 | 0 | 0 | 111.6 | Y321 D326 C327 | P319-Y321 VanDerWaalsContact C-N 3.29Å; P319-Y321 PolarHBondContact O-N 2.83Å; P319-D326 HydrophobicContact CB-CB 3.59Å; P319-D326 WeakPolarHBondContact CB-O 3.21Å; P319-D326 HydrophobicContact CG-CB 4.47Å; P319-D326 WeakPolarHBondContact CG-O 3.27Å; P319-C327 WeakPolarHBondContact CA-O 3.35Å; P319-C327 WeakPolarHBondContact CB-O 3.47Å |
| 320 | P | 69.6 | Low | 79.1 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 29% | 0.286 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -66.4 | -30.3 | -177.5 | 23.3 | -29.2 | 0 | 0 | 0 | 113.1 | T258 C327 V329 | T258-P320 HydrophobicContact CG2-CB 4.33Å; P320-C327 WeakPolarHBondContact CD-O 3.01Å; P320-V329 HydrophobicContact CB-CG2 3.85Å; P320-V329 HydrophobicContact CG-CG2 4.08Å |
| 321 | Y | 68.9 | Low | 78.7 | Confident | 150 Ų | 150 | 58 Ų | 58 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -116.3 | 149.2 | 175.9 | -48.9 | -78.3 | 0 | 0 | 0 | 110 | P319 G323 D326 | P319-Y321 VanDerWaalsContact C-N 3.29Å; P319-Y321 PolarHBondContact O-N 2.83Å; Y321-G323 PolarHBondContact O-N 2.87Å; Y321-D326 WeakPolarHBondContact CB-OD2 3.29Å |
| 322 | E | 57 | Low | 78.4 | Confident | 209 Ų | 209 | 60.5 Ų | 60.5 | 98% | 0.977 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -72.2 | 8.4 | 180 | -66.7 | -176.4 | 162.2 | 0 | 0 | 113.6 | Q324 | E322-Q324 PolarHBondContact O-N 3.05Š|
| 323 | G | 57.6 | Low | 78.1 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | trans | -63.5 | 129.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y321 E325 D326 | Y321-G323 PolarHBondContact O-N 2.87Å; G323-E325 PolarHBondContact O-N 3.41Å; G323-D326 PolarHBondContact O-N 2.86Å | ||
| 324 | Q | 51.5 | Low | 78 | Confident | 199 Ų | 199 | 57 Ų | 57 | 93% | 0.93 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -14.1 | 179.7 | -78.7 | -179.2 | -13.8 | 0 | 0 | 114 | E322 | E322-Q324 PolarHBondContact O-N 3.05Š|
| 325 | E | 52.1 | Low | 77.8 | Confident | 160 Ų | 160 | 60.1 Ų | 60.1 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -2.8 | -173.3 | -64.4 | -176.2 | 171.1 | 0 | 0 | 114.3 | G323 | G323-E325 PolarHBondContact O-N 3.41Š|
| 326 | D | 64.6 | Low | 77.6 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 139 | -177.2 | -71.4 | -41.5 | 0 | 0 | 0 | 112.9 | P319 Y321 G323 | P319-D326 HydrophobicContact CB-CB 3.59Å; P319-D326 WeakPolarHBondContact CB-O 3.21Å; P319-D326 HydrophobicContact CG-CB 4.47Å; P319-D326 WeakPolarHBondContact CG-O 3.27Å; Y321-D326 WeakPolarHBondContact CB-OD2 3.29Å; G323-D326 PolarHBondContact O-N 2.86Å |
| 327 | C | 73.5 | Confident | 77.6 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -70 | 154.9 | 171.2 | -77.1 | 0 | 0 | 0 | 0 | 112.1 | P319 P320 V329 I331 N367 T369 F370 | P319-C327 WeakPolarHBondContact CA-O 3.35Å; P319-C327 WeakPolarHBondContact CB-O 3.47Å; P320-C327 WeakPolarHBondContact CD-O 3.01Å; C327-V329 PolarHBondContact O-N 3.44Å; C327-I331 HydrophobicContact CB-CB 3.99Å; C327-I331 HydrophobicContact CB-CD1 4.19Å; C327-I331 HydrophobicContact CB-CG2 3.82Å; C327-N367 PolarHBondContact SG-ND2 2.98Å; C327-T369 PolarHBondContact SG-OG1 3.14Å; C327-F370 WeakPolarHBondContact SG-CB 3.24Å |
| 328 | S | 83.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 141.6 | 168.5 | 174.7 | 0 | 0 | 0 | 0 | 111 | F330 I331 Q332 | S328-F330 PolarHBondContact O-N 3.05Å; S328-F330 VanDerWaalsContact O-N 3.08Å; S328-F330 PolarHBondContact OG-N 3.2Å; S328-I331 WeakPolarHBondContact O-CA 3.36Å; S328-I331 WeakPolarHBondContact O-CB 3.42Å; S328-I331 PolarHBondContact O-N 3.45Å; S328-Q332 PolarHBondContact O-N 2.93Å |
| 329 | V | 84.4 | Confident | 78.1 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -53 | -34.3 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | L256 P320 C327 Q332 A333 | L256-V329 HydrophobicContact CB-CG1 3.86Å; P320-V329 HydrophobicContact CB-CG2 3.85Å; P320-V329 HydrophobicContact CG-CG2 4.08Å; C327-V329 PolarHBondContact O-N 3.44Å; V329-Q332 PolarHBondContact O-N 3.49Å; V329-A333 PolarHBondContact O-N 3.46Å; V329-A333 VanDerWaalsContact O-N 3.12Å |
| 330 | F | 90.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.9 | -30.2 | 177.9 | -177.2 | -128.6 | 0 | 0 | 0 | 113.3 | L256 F268 M269 L272 L311 M314 L317 S328 A333 I334 I351 W365 | L256-F330 HydrophobicContact CD1-CB 4.42Å; L256-F330 HydrophobicContact CD1-CD2 4.45Å; F268-F330 HydrophobicContact CE1-CD2 4.18Å; F268-F330 AromaticContact CE1-CE2 3.7Å; F268-F330 HydrophobicContact CE1-CE2 3.7Å; F268-F330 HydrophobicContact CZ-CE2 4.25Å; M269-F330 HydrophobicContact CE-CD2 3.71Å; M269-F330 HydrophobicContact CE-CE2 3.57Å; M269-F330 HydrophobicContact SD-CE2 4.32Å; L272-F330 HydrophobicContact CD2-CE2 4.38Å; L272-F330 HydrophobicContact CD2-CZ 4.07Å; L311-F330 HydrophobicContact CD2-CE1 4.05Å; L311-F330 HydrophobicContact CD2-CZ 3.87Å; M314-F330 HydrophobicContact CB-CD1 3.46Å; M314-F330 VanDerWaalsContact CB-CD1 3.46Å; M314-F330 HydrophobicContact CB-CE1 3.54Å; M314-F330 HydrophobicContact CB-CG 3.99Å; M314-F330 HydrophobicContact CB-CZ 4.15Å; M314-F330 HydrophobicContact CG-CD1 3.98Å; M314-F330 HydrophobicContact CG-CD2 4.23Å; M314-F330 HydrophobicContact CG-CE1 3.84Å; M314-F330 HydrophobicContact CG-CE2 4.14Å; M314-F330 HydrophobicContact CG-CG 4.15Å; M314-F330 HydrophobicContact CG-CZ 3.93Å; M314-F330 HydrophobicContact SD-CD2 4.09Å; M314-F330 HydrophobicContact SD-CE2 4.42Å; M314-F330 HydrophobicContact SD-CG 4.16Å; L317-F330 HydrophobicContact CD1-CB 4.09Å; S328-F330 PolarHBondContact O-N 3.05Å; S328-F330 VanDerWaalsContact O-N 3.08Å; S328-F330 PolarHBondContact OG-N 3.2Å; F330-A333 PolarHBondContact O-N 2.69Å; F330-I334 HydrophobicContact CD1-CD1 3.66Å; F330-I334 HydrophobicContact CD2-CD1 4.11Å; F330-I334 HydrophobicContact CD2-CG1 4.13Å; F330-I334 HydrophobicContact CE1-CD1 3.24Å; F330-I334 HydrophobicContact CE1-CG1 4.22Å; F330-I334 HydrophobicContact CE2-CD1 3.71Å; F330-I334 HydrophobicContact CE2-CG1 3.76Å; F330-I334 HydrophobicContact CG-CD1 4.09Å; F330-I334 HydrophobicContact CZ-CD1 3.28Å; F330-I334 HydrophobicContact CZ-CG1 3.83Å; F330-I334 WeakPolarHBondContact O-CB 2.99Å; F330-I334 WeakPolarHBondContact O-CG1 3.29Å; F330-I334 PolarHBondContact O-N 3.28Å; F330-I351 HydrophobicContact CE1-CD1 4.13Å; F330-W365 AromaticContact CD1-CH2 3.51Å; F330-W365 HydrophobicContact CD1-CH2 3.51Å; F330-W365 AromaticContact CD1-CZ2 3.92Å; F330-W365 HydrophobicContact CD1-CZ2 3.92Å; F330-W365 AromaticContact CE1-CH2 3.9Å; F330-W365 HydrophobicContact CE1-CH2 3.9Å; F330-W365 HydrophobicContact CE1-CZ2 4.49Å |
| 331 | I | 89.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 173 | -70.1 | 168.2 | 0 | 0 | 0 | 109.5 | C327 S328 A333 I334 S335 R364 W365 F370 | C327-I331 HydrophobicContact CB-CB 3.99Å; C327-I331 HydrophobicContact CB-CD1 4.19Å; C327-I331 HydrophobicContact CB-CG2 3.82Å; S328-I331 WeakPolarHBondContact O-CA 3.36Å; S328-I331 WeakPolarHBondContact O-CB 3.42Å; S328-I331 PolarHBondContact O-N 3.45Å; I331-A333 VanDerWaalsContact C-N 3.28Å; I331-A333 PolarHBondContact O-N 3.13Å; I331-I334 PolarHBondContact O-N 2.78Å; I331-S335 WeakPolarHBondContact O-CB 3.4Å; I331-S335 PolarHBondContact O-N 3.48Å; I331-S335 PolarHBondContact O-OG 3.48Å; I331-S335 VanDerWaalsContact O-OG 3.07Å; I331-R364 WeakPolarHBondContact CD1-O 3.26Å; I331-W365 HydrophobicContact CD1-CD2 4.03Å; I331-W365 HydrophobicContact CD1-CE3 3.8Å; I331-W365 HydrophobicContact CD1-CG 4.45Å; I331-W365 HydrophobicContact CD1-CZ3 4.25Å; I331-W365 HydrophobicContact CG1-CD2 4.27Å; I331-W365 HydrophobicContact CG1-CE3 3.71Å; I331-W365 HydrophobicContact CG1-CH2 4.13Å; I331-W365 HydrophobicContact CG1-CZ3 3.63Å; I331-F370 HydrophobicContact CD1-CD1 3.78Å; I331-F370 HydrophobicContact CD1-CE1 4.02Å; I331-F370 HydrophobicContact CD1-CG 4.32Å; I331-F370 HydrophobicContact CG1-CD1 4.3Å; I331-F370 HydrophobicContact CG1-CE1 4.15Å; I331-F370 HydrophobicContact CG1-CZ 4.42Å; I331-F370 HydrophobicContact CG2-CB 4.24Å; I331-F370 HydrophobicContact CG2-CD1 4.05Å; I331-F370 HydrophobicContact CG2-CD2 3.43Å; I331-F370 VanDerWaalsContact CG2-CD2 3.43Å; I331-F370 HydrophobicContact CG2-CE1 4.25Å; I331-F370 HydrophobicContact CG2-CE2 3.65Å; I331-F370 HydrophobicContact CG2-CG 3.64Å; I331-F370 HydrophobicContact CG2-CZ 4.07Å |
| 332 | Q | 87.2 | Confident | 80.8 | Confident | 53 Ų | 53 | 63.3 Ų | 63.3 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 176.5 | -65.2 | 178 | -19.7 | 0 | 0 | 110.7 | S328 V329 I334 S335 H336 | S328-Q332 PolarHBondContact O-N 2.93Å; V329-Q332 PolarHBondContact O-N 3.49Å; Q332-I334 PolarHBondContact O-N 3.22Å; Q332-S335 PolarHBondContact O-N 2.95Å; Q332-H336 PolarHBondContact O-CD2 3.03Å; Q332-H336 PolarHBondContact O-N 3.17Å |
| 333 | A | 90 | Very high | 82.4 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V265 M269 V329 F330 I331 S337 | V265-A333 HydrophobicContact CG1-CB 3.94Å; M269-A333 HydrophobicContact CE-CB 3.36Å; V329-A333 PolarHBondContact O-N 3.46Å; V329-A333 VanDerWaalsContact O-N 3.12Å; F330-A333 PolarHBondContact O-N 2.69Å; I331-A333 VanDerWaalsContact C-N 3.28Å; I331-A333 PolarHBondContact O-N 3.13Å; A333-S337 PolarHBondContact O-N 3.27Å; A333-S337 PolarHBondContact O-OG 3.48Å |
| 334 | I | 92.5 | Very high | 84.2 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -48.5 | 173.7 | -74.8 | 168.8 | 0 | 0 | 0 | 111.1 | M269 F330 I331 Q332 H336 S337 F339 I344 I347 Y348 I351 W365 | M269-I334 HydrophobicContact CE-CG1 4.39Å; M269-I334 HydrophobicContact SD-CG1 4.41Å; F330-I334 HydrophobicContact CD1-CD1 3.66Å; F330-I334 HydrophobicContact CD2-CD1 4.11Å; F330-I334 HydrophobicContact CD2-CG1 4.13Å; F330-I334 HydrophobicContact CE1-CD1 3.24Å; F330-I334 HydrophobicContact CE1-CG1 4.22Å; F330-I334 HydrophobicContact CE2-CD1 3.71Å; F330-I334 HydrophobicContact CE2-CG1 3.76Å; F330-I334 HydrophobicContact CG-CD1 4.09Å; F330-I334 HydrophobicContact CZ-CD1 3.28Å; F330-I334 HydrophobicContact CZ-CG1 3.83Å; F330-I334 WeakPolarHBondContact O-CB 2.99Å; F330-I334 WeakPolarHBondContact O-CG1 3.29Å; F330-I334 PolarHBondContact O-N 3.28Å; I331-I334 PolarHBondContact O-N 2.78Å; Q332-I334 PolarHBondContact O-N 3.22Å; I334-H336 PolarHBondContact O-N 2.87Å; I334-S337 PolarHBondContact O-N 2.98Å; I334-F339 HydrophobicContact CG2-CE2 4.23Å; I334-I344 HydrophobicContact CG2-CD1 3.65Å; I334-I347 HydrophobicContact CD1-CG2 4.4Å; I334-Y348 HydrophobicContact CG2-CE1 4.11Å; I334-I351 HydrophobicContact CD1-CD1 4.23Å; I334-W365 HydrophobicContact CD1-CH2 4.42Å |
| 335 | S | 89.3 | Confident | 86.3 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 47% | 0.469 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -24.9 | -175.1 | -66 | 0 | 0 | 0 | 0 | 113.5 | I331 Q332 | I331-S335 WeakPolarHBondContact O-CB 3.4Å; I331-S335 PolarHBondContact O-N 3.48Å; I331-S335 PolarHBondContact O-OG 3.48Å; I331-S335 VanDerWaalsContact O-OG 3.07Å; Q332-S335 PolarHBondContact O-N 2.95Å |
| 336 | H | 87.9 | Confident | 88.2 | Confident | 133 Ų | 133 | 36.6 Ų | 36.6 | 62% | 0.616 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8.8 | 175.6 | -75.2 | -62.7 | 0 | 0 | 0 | 114.3 | I260 Q332 I334 | I260-H336 WeakPolarHBondContact CD1-CD2 3.33Å; I260-H336 HydrophobicContact CG2-CB 3.6Å; Q332-H336 PolarHBondContact O-CD2 3.03Å; Q332-H336 PolarHBondContact O-N 3.17Å; I334-H336 PolarHBondContact O-N 2.87Å |
| 337 | S | 90.9 | Very high | 89.7 | Confident | 32 Ų | 32 | 33.8 Ų | 33.8 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -90.1 | 138.6 | 179.9 | -63.2 | 0 | 0 | 0 | 0 | 111 | M269 A333 I334 F339 | M269-S337 VanDerWaalsContact CG-OG 3.24Å; M269-S337 WeakPolarHBondContact CG-OG 3.37Å; A333-S337 PolarHBondContact O-N 3.27Å; A333-S337 PolarHBondContact O-OG 3.48Å; I334-S337 PolarHBondContact O-N 2.98Å; S337-F339 PolarHBondContact O-N 2.91Å |
| 338 | D | 89.8 | Confident | 90.8 | Very high | 166 Ų | 166 | 33.5 Ų | 33.5 | 89% | 0.888 | 18% | 0.183 | S | C | * | . | trans | -86.1 | 101.5 | 176.7 | -166.7 | 21.4 | 0 | 0 | 0 | 110.3 | ||||
| 339 | F | 93 | Very high | 91.4 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 9% | 0.092 | 18% | 0.183 | C | C | . | . | trans | -107.2 | 138.8 | 178.1 | -72.1 | -79.5 | 0 | 0 | 0 | 111.1 | M269 L272 I334 S337 A341 V343 I344 I347 | M269-F339 HydrophobicContact CB-CZ 4.37Å; M269-F339 HydrophobicContact SD-CE2 4.34Å; M269-F339 HydrophobicContact SD-CZ 3.86Å; L272-F339 HydrophobicContact CD2-CZ 4.33Å; I334-F339 HydrophobicContact CG2-CE2 4.23Å; S337-F339 PolarHBondContact O-N 2.91Å; F339-A341 PolarHBondContact O-N 3.17Å; F339-V343 HydrophobicContact CD1-CG1 3.99Å; F339-I344 HydrophobicContact CB-CB 3.77Å; F339-I344 HydrophobicContact CB-CG2 4.42Å; F339-I344 HydrophobicContact CD2-CD1 3.99Å; F339-I344 HydrophobicContact CE2-CD1 4.45Å; F339-I344 HydrophobicContact CG-CB 4.37Å; F339-I344 HydrophobicContact CG-CD1 4.39Å; F339-I347 HydrophobicContact CD1-CD1 3.89Å; F339-I347 HydrophobicContact CE1-CD1 3.62Å; F339-I347 HydrophobicContact CZ-CD1 4.06Å | ||
| 340 | D | 90.7 | Very high | 91.8 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 52% | 0.519 | 18% | 0.181 | S | C | . | . | trans | -53.9 | 137.3 | 165.5 | -68.8 | -30.1 | 0 | 0 | 0 | 110.4 | V343 I344 | D340-V343 HydrophobicContact CB-CB 4.2Å; D340-V343 HydrophobicContact CB-CG2 3.91Å; D340-V343 WeakPolarHBondContact O-CA 2.92Å; D340-V343 WeakPolarHBondContact O-CB 3.02Å; D340-V343 PolarHBondContact O-N 3.43Å; D340-I344 PolarHBondContact O-N 3.17Å | ||
| 341 | A | 90.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 12% | 0.124 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.1 | -45.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F339 V343 I344 C345 K382 I383 | F339-A341 PolarHBondContact O-N 3.17Å; A341-V343 VanDerWaalsContact C-N 3.31Å; A341-V343 PolarHBondContact O-N 3.43Å; A341-I344 WeakPolarHBondContact O-CG2 3.15Å; A341-C345 PolarHBondContact O-N 3.46Å; A341-C345 PolarHBondContact O-SG 3.47Å; A341-K382 HydrophobicContact CB-CB 3.67Å; A341-I383 HydrophobicContact CB-CG1 3.76Å |
| 342 | P | 88.9 | Confident | 92.4 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 25% | 0.247 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -32.6 | 176 | -21.4 | 34.6 | 0 | 0 | 0 | 113.4 | R346 I383 F403 | P342-R346 VanDerWaalsContact O-CG 3.32Å; P342-R346 WeakPolarHBondContact O-CG 3.25Å; P342-R346 PolarHBondContact O-N 3.22Å; P342-R346 VanDerWaalsContact O-N 3.17Å; P342-I383 HydrophobicContact CG-CG1 4.33Å; P342-F403 HydrophobicContact CB-CE2 4.49Å |
| 343 | V | 92.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.8 | -49.5 | -178.1 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | V276 N277 F339 D340 A341 C345 R346 I347 | V276-V343 HydrophobicContact CB-CG1 4.03Å; V276-V343 HydrophobicContact CG1-CG1 3.91Å; N277-V343 HydrophobicContact CB-CG2 3.87Å; F339-V343 HydrophobicContact CD1-CG1 3.99Å; D340-V343 HydrophobicContact CB-CB 4.2Å; D340-V343 HydrophobicContact CB-CG2 3.91Å; D340-V343 WeakPolarHBondContact O-CA 2.92Å; D340-V343 WeakPolarHBondContact O-CB 3.02Å; D340-V343 PolarHBondContact O-N 3.43Å; A341-V343 VanDerWaalsContact C-N 3.31Å; A341-V343 PolarHBondContact O-N 3.43Å; V343-C345 VanDerWaalsContact C-N 3.32Å; V343-C345 PolarHBondContact O-N 2.54Å; V343-R346 PolarHBondContact O-N 3.27Å; V343-R346 VanDerWaalsContact O-N 3.15Å; V343-I347 HydrophobicContact CG1-CD1 3.97Å; V343-I347 WeakPolarHBondContact O-CG1 3.34Å; V343-I347 PolarHBondContact O-N 2.97Å |
| 344 | I | 94.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -37 | 178.2 | -173.4 | 61.7 | 0 | 0 | 0 | 112 | I334 F339 D340 A341 R346 I347 Y348 A379 | I334-I344 HydrophobicContact CG2-CD1 3.65Å; F339-I344 HydrophobicContact CB-CB 3.77Å; F339-I344 HydrophobicContact CB-CG2 4.42Å; F339-I344 HydrophobicContact CD2-CD1 3.99Å; F339-I344 HydrophobicContact CE2-CD1 4.45Å; F339-I344 HydrophobicContact CG-CB 4.37Å; F339-I344 HydrophobicContact CG-CD1 4.39Å; D340-I344 PolarHBondContact O-N 3.17Å; A341-I344 WeakPolarHBondContact O-CG2 3.15Å; I344-R346 VanDerWaalsContact C-N 3.29Å; I344-R346 PolarHBondContact O-N 2.98Å; I344-I347 HydrophobicContact CD1-CB 4.45Å; I344-I347 PolarHBondContact O-N 3.42Å; I344-Y348 HydrophobicContact CD1-CD1 4.38Å; I344-Y348 HydrophobicContact CD1-CD2 4.22Å; I344-Y348 HydrophobicContact CD1-CE1 3.98Å; I344-Y348 HydrophobicContact CD1-CE2 3.84Å; I344-Y348 HydrophobicContact CD1-CG 4.49Å; I344-Y348 HydrophobicContact CG1-CD2 3.86Å; I344-Y348 HydrophobicContact CG1-CE2 3.51Å; I344-Y348 PolarHBondContact O-N 3.44Å; I344-A379 HydrophobicContact CG2-CB 3.64Å |
| 345 | C | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | A341 V343 G349 C380 F403 | A341-C345 PolarHBondContact O-N 3.46Å; A341-C345 PolarHBondContact O-SG 3.47Å; V343-C345 VanDerWaalsContact C-N 3.32Å; V343-C345 PolarHBondContact O-N 2.54Å; C345-G349 PolarHBondContact O-N 3.08Å; C345-C380 PolarHBondContact SG-SG 2.91Å; C345-F403 HydrophobicContact CB-CE2 3.99Å; C345-F403 HydrophobicContact CB-CZ 3.69Å |
| 346 | R | 92.8 | Very high | 93 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.7 | -34.9 | 177.6 | -68.7 | -173.9 | -174.1 | -86.3 | 14.1 | 112.4 | V276 Y280 P342 V343 I344 K350 E402 F403 | V276-R346 HydrophobicContact CG1-CB 3.98Å; Y280-R346 HydrophobicContact CD2-CG 4.43Å; Y280-R346 HydrophobicContact CE2-CB 4.24Å; Y280-R346 HydrophobicContact CE2-CG 4.4Å; P342-R346 VanDerWaalsContact O-CG 3.32Å; P342-R346 WeakPolarHBondContact O-CG 3.25Å; P342-R346 PolarHBondContact O-N 3.22Å; P342-R346 VanDerWaalsContact O-N 3.17Å; V343-R346 PolarHBondContact O-N 3.27Å; V343-R346 VanDerWaalsContact O-N 3.15Å; I344-R346 VanDerWaalsContact C-N 3.29Å; I344-R346 PolarHBondContact O-N 2.98Å; R346-K350 WeakPolarHBondContact O-CB 3.04Å; R346-K350 WeakPolarHBondContact O-CG 3.4Å; R346-K350 PolarHBondContact O-N 3.36Å; R346-E402 IonicContact CZ-OE2 2.77Å; R346-E402 IonicContact NH1-OE1 3.62Å; R346-E402 PolarHBondContact NH1-OE1 3.43Å; R346-E402 IonicContact NH1-OE2 3.38Å; R346-E402 PolarHBondContact NH1-OE2 3.12Å; R346-E402 IonicContact NH2-OE2 3.09Å; R346-E402 PolarHBondContact NH2-OE2 3.37Å; R346-F403 HydrophobicContact CG-CD2 4.37Å; R346-F403 HydrophobicContact CG-CE2 4.1Å |
| 347 | I | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -52.8 | 172.5 | -67.9 | 165.5 | 0 | 0 | 0 | 109.8 | L272 V276 L311 I334 F339 V343 I344 G349 K350 I351 | L272-I347 HydrophobicContact CD2-CD1 3.88Å; L272-I347 HydrophobicContact CD2-CG1 4.37Å; L272-I347 HydrophobicContact CD2-CG2 4.43Å; L272-I347 HydrophobicContact CG-CD1 3.86Å; L272-I347 HydrophobicContact CG-CG1 4.32Å; V276-I347 HydrophobicContact CG1-CG1 4.46Å; V276-I347 HydrophobicContact CG2-CG1 3.99Å; L311-I347 HydrophobicContact CD2-CG2 4.34Å; I334-I347 HydrophobicContact CD1-CG2 4.4Å; F339-I347 HydrophobicContact CD1-CD1 3.89Å; F339-I347 HydrophobicContact CE1-CD1 3.62Å; F339-I347 HydrophobicContact CZ-CD1 4.06Å; V343-I347 HydrophobicContact CG1-CD1 3.97Å; V343-I347 WeakPolarHBondContact O-CG1 3.34Å; V343-I347 PolarHBondContact O-N 2.97Å; I344-I347 HydrophobicContact CD1-CB 4.45Å; I344-I347 PolarHBondContact O-N 3.42Å; I347-G349 VanDerWaalsContact C-N 3.35Å; I347-G349 PolarHBondContact O-N 3.03Å; I347-K350 PolarHBondContact O-N 3.47Å; I347-I351 HydrophobicContact CG2-CD1 3.65Å; I347-I351 WeakPolarHBondContact O-CD1 3.23Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.46Å; I347-I351 PolarHBondContact O-N 3.09Å |
| 348 | Y | 96.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 177.5 | -70.3 | -32.5 | 0 | 0 | 0 | 112.7 | I334 I344 K350 I351 L352 F370 I372 E375 L376 | I334-Y348 HydrophobicContact CG2-CE1 4.11Å; I344-Y348 HydrophobicContact CD1-CD1 4.38Å; I344-Y348 HydrophobicContact CD1-CD2 4.22Å; I344-Y348 HydrophobicContact CD1-CE1 3.98Å; I344-Y348 HydrophobicContact CD1-CE2 3.84Å; I344-Y348 HydrophobicContact CD1-CG 4.49Å; I344-Y348 HydrophobicContact CG1-CD2 3.86Å; I344-Y348 HydrophobicContact CG1-CE2 3.51Å; I344-Y348 PolarHBondContact O-N 3.44Å; Y348-K350 PolarHBondContact O-N 2.82Å; Y348-I351 HydrophobicContact CD1-CD1 4.19Å; Y348-I351 PolarHBondContact O-N 2.87Å; Y348-L352 WeakPolarHBondContact O-CB 3.44Å; Y348-L352 WeakPolarHBondContact O-CG 3.48Å; Y348-L352 PolarHBondContact O-N 3.39Å; Y348-F370 HydrophobicContact CE1-CZ 4.05Å; Y348-I372 HydrophobicContact CD1-CD1 4.08Å; Y348-I372 HydrophobicContact CD1-CG1 3.98Å; Y348-I372 HydrophobicContact CG-CG1 4.19Å; Y348-E375 HydrophobicContact CD2-CB 4.46Å; Y348-E375 HydrophobicContact CE2-CB 3.68Å; Y348-L376 HydrophobicContact CD2-CB 4.06Å |
| 349 | G | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C345 I347 L352 S353 Q410 | C345-G349 PolarHBondContact O-N 3.08Å; I347-G349 VanDerWaalsContact C-N 3.35Å; I347-G349 PolarHBondContact O-N 3.03Å; G349-L352 PolarHBondContact O-N 2.56Å; G349-S353 WeakPolarHBondContact O-CB 3.34Å; G349-S353 PolarHBondContact O-N 2.83Å; G349-Q410 VanDerWaalsContact C-CD 3.41Å; G349-Q410 VanDerWaalsContact C-OE1 3.29Å; G349-Q410 WeakPolarHBondContact O-CB 3.48Å |
| 350 | K | 94.5 | Very high | 93 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 174.1 | -77.2 | -170.2 | 171.6 | -141.4 | 0 | 112.4 | Y280 I307 D308 L311 R346 I347 Y348 S353 N354 | Y280-K350 WeakPolarHBondContact OH-CE 3.28Å; I307-K350 HydrophobicContact CG2-CD 4.07Å; D308-K350 VanDerWaalsContact CG-NZ 3.26Å; D308-K350 WeakPolarHBondContact OD1-CD 3.47Å; D308-K350 WeakPolarHBondContact OD1-CE 3.39Å; D308-K350 IonicContact OD1-NZ 3.35Å; D308-K350 PolarHBondContact OD1-NZ 3.28Å; D308-K350 IonicContact OD2-NZ 3.94Å; D308-K350 PolarHBondContact OD2-NZ 2.62Å; L311-K350 HydrophobicContact CD1-CB 3.71Å; L311-K350 HydrophobicContact CD1-CD 3.94Å; L311-K350 HydrophobicContact CD1-CG 4.47Å; R346-K350 WeakPolarHBondContact O-CB 3.04Å; R346-K350 WeakPolarHBondContact O-CG 3.4Å; R346-K350 PolarHBondContact O-N 3.36Å; I347-K350 PolarHBondContact O-N 3.47Å; Y348-K350 PolarHBondContact O-N 2.82Å; K350-S353 WeakPolarHBondContact O-CB 3.43Å; K350-S353 PolarHBondContact O-N 3.32Å; K350-N354 PolarHBondContact O-N 2.99Å; K350-N354 PolarHBondContact O-ND2 3.35Å |
| 351 | I | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.3 | -48.9 | 175.6 | -71.5 | 160.9 | 0 | 0 | 0 | 110.5 | L311 I315 F330 I334 I347 Y348 S353 N354 I355 W365 I372 | L311-I351 HydrophobicContact CD2-CG1 4.41Å; I315-I351 HydrophobicContact CG2-CG2 3.91Å; F330-I351 HydrophobicContact CE1-CD1 4.13Å; I334-I351 HydrophobicContact CD1-CD1 4.23Å; I347-I351 HydrophobicContact CG2-CD1 3.65Å; I347-I351 WeakPolarHBondContact O-CD1 3.23Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.46Å; I347-I351 PolarHBondContact O-N 3.09Å; Y348-I351 HydrophobicContact CD1-CD1 4.19Å; Y348-I351 PolarHBondContact O-N 2.87Å; I351-S353 VanDerWaalsContact C-N 3.31Å; I351-S353 PolarHBondContact O-N 3.34Å; I351-N354 PolarHBondContact O-N 3.45Å; I351-N354 VanDerWaalsContact O-N 3.08Å; I351-I355 HydrophobicContact CG2-CD1 3.51Å; I351-I355 HydrophobicContact CG2-CG1 4.18Å; I351-I355 VanDerWaalsContact O-CG1 3.31Å; I351-I355 WeakPolarHBondContact O-CG1 3.35Å; I351-I355 PolarHBondContact O-N 3.21Å; I351-W365 HydrophobicContact CD1-CH2 3.6Å; I351-W365 HydrophobicContact CD1-CZ2 4.48Å; I351-W365 HydrophobicContact CD1-CZ3 3.81Å; I351-W365 HydrophobicContact CG1-CH2 4.2Å; I351-W365 HydrophobicContact CG2-CD2 3.98Å; I351-W365 HydrophobicContact CG2-CE3 3.93Å; I351-W365 HydrophobicContact CG2-CH2 3.9Å; I351-W365 HydrophobicContact CG2-CZ2 3.97Å; I351-W365 HydrophobicContact CG2-CZ3 3.89Å; I351-I372 HydrophobicContact CB-CD1 4.01Å; I351-I372 HydrophobicContact CG2-CD1 3.43Å; I351-I372 VanDerWaalsContact CG2-CD1 3.43Å |
| 352 | L | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 176.7 | -77.8 | 177.6 | 0 | 0 | 0 | 112.1 | Y348 G349 N354 I355 S356 M366 I372 Y373 L376 I411 S414 | Y348-L352 WeakPolarHBondContact O-CB 3.44Å; Y348-L352 WeakPolarHBondContact O-CG 3.48Å; Y348-L352 PolarHBondContact O-N 3.39Å; G349-L352 PolarHBondContact O-N 2.56Å; L352-N354 VanDerWaalsContact C-N 3.35Å; L352-N354 PolarHBondContact O-N 2.89Å; L352-I355 PolarHBondContact O-N 3.37Å; L352-S356 PolarHBondContact O-N 3.06Å; L352-M366 HydrophobicContact CD2-CE 4.32Å; L352-I372 HydrophobicContact CD2-CD1 4.02Å; L352-I372 HydrophobicContact CD2-CG1 4.26Å; L352-I372 HydrophobicContact CD2-CG2 3.68Å; L352-I372 HydrophobicContact CG-CD1 3.96Å; L352-I372 HydrophobicContact CG-CG1 4.29Å; L352-Y373 HydrophobicContact CD1-CD1 4.06Å; L352-Y373 HydrophobicContact CD1-CE1 3.86Å; L352-Y373 HydrophobicContact CD2-CD1 4.24Å; L352-Y373 HydrophobicContact CD2-CE1 3.65Å; L352-Y373 HydrophobicContact CG-CE1 4.43Å; L352-L376 HydrophobicContact CD1-CD1 3.63Å; L352-I411 HydrophobicContact CD1-CG1 4.01Å; L352-S414 WeakPolarHBondContact O-CB 3.39Å |
| 353 | S | 93.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 26% | 0.259 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | G349 K350 I351 S356 | G349-S353 WeakPolarHBondContact O-CB 3.34Å; G349-S353 PolarHBondContact O-N 2.83Å; K350-S353 WeakPolarHBondContact O-CB 3.43Å; K350-S353 PolarHBondContact O-N 3.32Å; I351-S353 VanDerWaalsContact C-N 3.31Å; I351-S353 PolarHBondContact O-N 3.34Å; S353-S356 WeakPolarHBondContact O-CB 3.26Å; S353-S356 PolarHBondContact O-N 3.48Å; S353-S356 PolarHBondContact O-OG 3.4Å |
| 354 | N | 93.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.8 | -39.8 | 179.4 | -72 | -23.8 | 0 | 0 | 0 | 112.6 | S312 I315 K350 I351 L352 S356 Q357 | S312-N354 PolarHBondContact N-ND2 2.73Å; I315-N354 HydrophobicContact CD1-CB 3.87Å; K350-N354 PolarHBondContact O-N 2.99Å; K350-N354 PolarHBondContact O-ND2 3.35Å; I351-N354 PolarHBondContact O-N 3.45Å; I351-N354 VanDerWaalsContact O-N 3.08Å; L352-N354 VanDerWaalsContact C-N 3.35Å; L352-N354 PolarHBondContact O-N 2.89Å; N354-S356 PolarHBondContact O-N 2.69Å; N354-Q357 PolarHBondContact O-N 3Å |
| 355 | I | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -32.3 | 176.6 | -63.6 | 167.3 | 0 | 0 | 0 | 110.7 | I315 I351 L352 Q357 H358 Y362 W365 | I315-I355 HydrophobicContact CB-CG1 4.24Å; I315-I355 HydrophobicContact CD1-CG1 4.39Å; I315-I355 HydrophobicContact CG2-CD1 4.39Å; I315-I355 HydrophobicContact CG2-CG1 3.88Å; I351-I355 HydrophobicContact CG2-CD1 3.51Å; I351-I355 HydrophobicContact CG2-CG1 4.18Å; I351-I355 VanDerWaalsContact O-CG1 3.31Å; I351-I355 WeakPolarHBondContact O-CG1 3.35Å; I351-I355 PolarHBondContact O-N 3.21Å; L352-I355 PolarHBondContact O-N 3.37Å; I355-Q357 PolarHBondContact O-N 3.41Å; I355-Q357 VanDerWaalsContact O-N 3.12Å; I355-H358 CarbonylContact O-C 3.52Å; I355-H358 WeakPolarHBondContact O-CA 3.32Å; I355-H358 PolarHBondContact O-N 2.99Å; I355-Y362 HydrophobicContact CG2-CD1 3.65Å; I355-Y362 HydrophobicContact CG2-CD2 3.9Å; I355-Y362 HydrophobicContact CG2-CE1 3.65Å; I355-Y362 HydrophobicContact CG2-CE2 3.82Å; I355-Y362 HydrophobicContact CG2-CG 3.77Å; I355-W365 HydrophobicContact CD1-CB 3.86Å; I355-W365 VanDerWaalsContact CD1-CD1 3.44Å; I355-W365 HydrophobicContact CD1-CD2 3.97Å; I355-W365 HydrophobicContact CD1-CG 3.48Å; I355-W365 VanDerWaalsContact CD1-CG 3.48Å |
| 356 | S | 92.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.9 | -28.6 | 176.2 | 82 | 0 | 0 | 0 | 0 | 113.7 | L352 S353 N354 A413 | L352-S356 PolarHBondContact O-N 3.06Å; S353-S356 WeakPolarHBondContact O-CB 3.26Å; S353-S356 PolarHBondContact O-N 3.48Å; S353-S356 PolarHBondContact O-OG 3.4Å; N354-S356 PolarHBondContact O-N 2.69Å; S356-A413 WeakPolarHBondContact CB-O 3.24Å |
| 357 | Q | 91.2 | Very high | 92.3 | Very high | 131 Ų | 131 | 30.8 Ų | 30.8 | 61% | 0.612 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -84.6 | -15.7 | 177.2 | -59.6 | 178.7 | 3.7 | 0 | 0 | 112.6 | N354 I355 | N354-Q357 PolarHBondContact O-N 3Å; I355-Q357 PolarHBondContact O-N 3.41Å; I355-Q357 VanDerWaalsContact O-N 3.12Å |
| 358 | H | 91 | Very high | 91.9 | Very high | 78 Ų | 78 | 38.2 Ų | 38.2 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | trans | -135.2 | 74.5 | -177.9 | -60.2 | -64.6 | 0 | 0 | 0 | 111.8 | I355 S360 F361 | I355-H358 CarbonylContact O-C 3.52Å; I355-H358 WeakPolarHBondContact O-CA 3.32Å; I355-H358 PolarHBondContact O-N 2.99Å; H358-S360 PolarHBondContact O-N 3.46Å; H358-F361 HydrophobicContact CB-CD2 3.34Å; H358-F361 HydrophobicContact CB-CE2 3.51Å; H358-F361 HydrophobicContact CB-CG 4.43Å; H358-F361 AromaticContact CG-CE2 3.92Å; H358-F361 PolarHBondContact O-N 2.89Å | ||
| 359 | P | 88.4 | Confident | 91.4 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -59.7 | -17.9 | -173.6 | -27.9 | 36.9 | 0 | 0 | 0 | 116.1 | F361 Y362 | P359-F361 PolarHBondContact O-N 3.36Å; P359-F361 VanDerWaalsContact O-N 3.13Å; P359-Y362 HydrophobicContact CB-CD2 4.13Å; P359-Y362 HydrophobicContact CB-CE2 3.98Å; P359-Y362 VanDerWaalsContact O-CD2 3.25Å; P359-Y362 WeakPolarHBondContact O-CD2 3.19Å; P359-Y362 PolarHBondContact O-N 3.13Å |
| 360 | S | 89.8 | Confident | 91.2 | Very high | 90 Ų | 90 | 43 Ų | 43 | 63% | 0.629 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -62.6 | -16.3 | 174 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | H358 | H358-S360 PolarHBondContact O-N 3.46Š|
| 361 | F | 90.7 | Very high | 91.2 | Very high | 34 Ų | 34 | 42.8 Ų | 42.8 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -96.8 | -5.4 | -175.6 | -56.5 | -44.3 | 0 | 0 | 0 | 114.7 | I315 T316 H358 P359 R364 | I315-F361 HydrophobicContact CD1-CD2 4.05Å; I315-F361 HydrophobicContact CG1-CD2 4.47Å; T316-F361 HydrophobicContact CG2-CE2 3.95Å; T316-F361 HydrophobicContact CG2-CZ 4.03Å; H358-F361 HydrophobicContact CB-CD2 3.34Å; H358-F361 HydrophobicContact CB-CE2 3.51Å; H358-F361 HydrophobicContact CB-CG 4.43Å; H358-F361 AromaticContact CG-CE2 3.92Å; H358-F361 PolarHBondContact O-N 2.89Å; P359-F361 PolarHBondContact O-N 3.36Å; P359-F361 VanDerWaalsContact O-N 3.13Å; F361-R364 WeakPolarHBondContact O-CB 3.26Å; F361-R364 PolarHBondContact O-N 2.88Å |
| 362 | Y | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -52.9 | -45.8 | 176.9 | -77.1 | -78.2 | 0 | 0 | 0 | 113.9 | I355 P359 R364 W365 M366 S414 G417 L418 C422 | I355-Y362 HydrophobicContact CG2-CD1 3.65Å; I355-Y362 HydrophobicContact CG2-CD2 3.9Å; I355-Y362 HydrophobicContact CG2-CE1 3.65Å; I355-Y362 HydrophobicContact CG2-CE2 3.82Å; I355-Y362 HydrophobicContact CG2-CG 3.77Å; P359-Y362 HydrophobicContact CB-CD2 4.13Å; P359-Y362 HydrophobicContact CB-CE2 3.98Å; P359-Y362 VanDerWaalsContact O-CD2 3.25Å; P359-Y362 WeakPolarHBondContact O-CD2 3.19Å; P359-Y362 PolarHBondContact O-N 3.13Å; Y362-R364 PolarHBondContact O-N 3.26Å; Y362-W365 CarbonylContact O-C 3.48Å; Y362-W365 PolarHBondContact O-N 3.47Å; Y362-M366 HydrophobicContact CD1-CE 3.59Å; Y362-M366 HydrophobicContact CD1-SD 3.93Å; Y362-M366 HydrophobicContact CE1-CE 4Å; Y362-M366 PolarHBondContact O-N 2.88Å; Y362-S414 PolarHBondContact OH-O 2.92Å; Y362-G417 VanDerWaalsContact CE2-C 3.41Å; Y362-G417 WeakPolarHBondContact CE2-O 3.41Å; Y362-L418 HydrophobicContact CD1-CD1 3.36Å; Y362-L418 HydrophobicContact CE1-CB 4.39Å; Y362-L418 HydrophobicContact CE1-CD1 3.48Å; Y362-L418 VanDerWaalsContact CE1-CD1 3.48Å; Y362-L418 HydrophobicContact CG-CD1 3.94Å; Y362-C422 VanDerWaalsContact CB-SG 3.59Å |
| 363 | P | 89.7 | Confident | 91.3 | Very high | 71 Ų | 71 | 42.8 Ų | 42.8 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -61.9 | -18.8 | -179.1 | -24.2 | 35.5 | 0 | 0 | 0 | 114.3 | W365 | P363-W365 VanDerWaalsContact C-N 3.29Š|
| 364 | R | 88 | Confident | 91.5 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 19% | 0.185 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -78.9 | -16.5 | 177.9 | -56.8 | -178.6 | -178 | -169.7 | -1.8 | 113.2 | T316 L317 H318 I331 F361 Y362 | T316-R364 PolarHBondContact O-NH1 3.48Å; L317-R364 PolarHBondContact O-NH1 2.93Å; H318-R364 PolarHBondContact CE1-NH2 2.85Å; H318-R364 PolarHBondContact NE2-NH2 3.42Å; I331-R364 WeakPolarHBondContact CD1-O 3.26Å; F361-R364 WeakPolarHBondContact O-CB 3.26Å; F361-R364 PolarHBondContact O-N 2.88Å; Y362-R364 PolarHBondContact O-N 3.26Å |
| 365 | W | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 0.7 | -175.2 | -69.2 | 89.7 | 0 | 0 | 0 | 112.6 | I315 F330 I331 I334 I351 I355 Y362 P363 F370 I372 | I315-W365 HydrophobicContact CG2-CZ2 3.99Å; F330-W365 AromaticContact CD1-CH2 3.51Å; F330-W365 HydrophobicContact CD1-CH2 3.51Å; F330-W365 AromaticContact CD1-CZ2 3.92Å; F330-W365 HydrophobicContact CD1-CZ2 3.92Å; F330-W365 AromaticContact CE1-CH2 3.9Å; F330-W365 HydrophobicContact CE1-CH2 3.9Å; F330-W365 HydrophobicContact CE1-CZ2 4.49Å; I331-W365 HydrophobicContact CD1-CD2 4.03Å; I331-W365 HydrophobicContact CD1-CE3 3.8Å; I331-W365 HydrophobicContact CD1-CG 4.45Å; I331-W365 HydrophobicContact CD1-CZ3 4.25Å; I331-W365 HydrophobicContact CG1-CD2 4.27Å; I331-W365 HydrophobicContact CG1-CE3 3.71Å; I331-W365 HydrophobicContact CG1-CH2 4.13Å; I331-W365 HydrophobicContact CG1-CZ3 3.63Å; I334-W365 HydrophobicContact CD1-CH2 4.42Å; I351-W365 HydrophobicContact CD1-CH2 3.6Å; I351-W365 HydrophobicContact CD1-CZ2 4.48Å; I351-W365 HydrophobicContact CD1-CZ3 3.81Å; I351-W365 HydrophobicContact CG1-CH2 4.2Å; I351-W365 HydrophobicContact CG2-CD2 3.98Å; I351-W365 HydrophobicContact CG2-CE3 3.93Å; I351-W365 HydrophobicContact CG2-CH2 3.9Å; I351-W365 HydrophobicContact CG2-CZ2 3.97Å; I351-W365 HydrophobicContact CG2-CZ3 3.89Å; I355-W365 HydrophobicContact CD1-CB 3.86Å; I355-W365 VanDerWaalsContact CD1-CD1 3.44Å; I355-W365 HydrophobicContact CD1-CD2 3.97Å; I355-W365 HydrophobicContact CD1-CG 3.48Å; I355-W365 VanDerWaalsContact CD1-CG 3.48Å; Y362-W365 CarbonylContact O-C 3.48Å; Y362-W365 PolarHBondContact O-N 3.47Å; P363-W365 VanDerWaalsContact C-N 3.29Å; W365-F370 HydrophobicContact CE3-CE1 4.01Å; W365-F370 WeakPolarHBondContact O-CD1 3.42Å; W365-I372 HydrophobicContact CB-CG2 4.46Å; W365-I372 HydrophobicContact CE3-CD1 3.9Å; W365-I372 HydrophobicContact CZ3-CD1 4.37Å; W365-I372 PolarHBondContact O-N 3.03Å |
| 366 | M | 90.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -146 | 100 | -178.7 | -62.9 | 177.3 | -165.7 | 0 | 0 | 108.7 | L352 Y362 F370 I372 Y373 L418 C422 Y425 | L352-M366 HydrophobicContact CD2-CE 4.32Å; Y362-M366 HydrophobicContact CD1-CE 3.59Å; Y362-M366 HydrophobicContact CD1-SD 3.93Å; Y362-M366 HydrophobicContact CE1-CE 4Å; Y362-M366 PolarHBondContact O-N 2.88Å; M366-F370 WeakPolarHBondContact CA-O 3.47Å; M366-I372 HydrophobicContact CE-CG2 3.4Å; M366-I372 HydrophobicContact CG-CG2 4.08Å; M366-Y373 HydrophobicContact CE-CD2 3.61Å; M366-Y373 HydrophobicContact CE-CE2 3.06Å; M366-Y373 HydrophobicContact SD-CD2 4.17Å; M366-Y373 HydrophobicContact SD-CE2 3.78Å; M366-L418 HydrophobicContact CE-CD1 4.13Å; M366-L418 HydrophobicContact SD-CD1 3.74Å; M366-C422 HydrophobicContact CB-CB 4.47Å; M366-C422 HydrophobicContact SD-CB 3.89Å; M366-Y425 HydrophobicContact CB-CD2 3.83Å; M366-Y425 HydrophobicContact CB-CE2 4.36Å; M366-Y425 HydrophobicContact CB-CG 4.14Å |
| 367 | N | 87.7 | Confident | 92.1 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -144.1 | -176.8 | 172.7 | 64 | 37 | 0 | 0 | 0 | 108.9 | C327 T369 F370 Y425 | C327-N367 PolarHBondContact SG-ND2 2.98Å; N367-T369 PolarHBondContact O-N 2.83Å; N367-T369 WeakPolarHBondContact OD1-CA 3.34Å; N367-T369 PolarHBondContact OD1-N 3.13Å; N367-T369 PolarHBondContact OD1-OG1 2.88Å; N367-F370 PolarHBondContact N-O 3.02Å; N367-F370 CarbonylContact O-C 3.58Å; N367-F370 PolarHBondContact O-N 3.26Å; N367-F370 VanDerWaalsContact O-O 3.09Å; N367-F370 PolarHBondContact OD1-N 3.33Å; N367-Y425 VanDerWaalsContact C-CE1 3.44Å; N367-Y425 WeakPolarHBondContact CA-OH 3.48Å; N367-Y425 WeakPolarHBondContact O-CE1 3.48Å |
| 368 | D | 86.8 | Confident | 92.3 | Very high | 155 Ų | 155 | 43.1 Ų | 43.1 | 83% | 0.829 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -66.1 | -20.9 | -178.1 | -65.6 | -38.2 | 0 | 0 | 0 | 113.7 | Y425 | D368-Y425 PolarHBondContact OD1-OH 2.73Š|
| 369 | T | 87 | Confident | 92.5 | Very high | 100 Ų | 100 | 39.8 Ų | 39.8 | 61% | 0.613 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -91.7 | -32.2 | 179.7 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | C327 N367 | C327-T369 PolarHBondContact SG-OG1 3.14Å; N367-T369 PolarHBondContact O-N 2.83Å; N367-T369 WeakPolarHBondContact OD1-CA 3.34Å; N367-T369 PolarHBondContact OD1-N 3.13Å; N367-T369 PolarHBondContact OD1-OG1 2.88Å |
| 370 | F | 91.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | trans | -142.4 | 126.4 | -176.1 | -175.3 | -89.7 | 0 | 0 | 0 | 111 | C327 I331 Y348 W365 M366 N367 I372 E375 | C327-F370 WeakPolarHBondContact SG-CB 3.24Å; I331-F370 HydrophobicContact CD1-CD1 3.78Å; I331-F370 HydrophobicContact CD1-CE1 4.02Å; I331-F370 HydrophobicContact CD1-CG 4.32Å; I331-F370 HydrophobicContact CG1-CD1 4.3Å; I331-F370 HydrophobicContact CG1-CE1 4.15Å; I331-F370 HydrophobicContact CG1-CZ 4.42Å; I331-F370 HydrophobicContact CG2-CB 4.24Å; I331-F370 HydrophobicContact CG2-CD1 4.05Å; I331-F370 HydrophobicContact CG2-CD2 3.43Å; I331-F370 VanDerWaalsContact CG2-CD2 3.43Å; I331-F370 HydrophobicContact CG2-CE1 4.25Å; I331-F370 HydrophobicContact CG2-CE2 3.65Å; I331-F370 HydrophobicContact CG2-CG 3.64Å; I331-F370 HydrophobicContact CG2-CZ 4.07Å; Y348-F370 HydrophobicContact CE1-CZ 4.05Å; W365-F370 HydrophobicContact CE3-CE1 4.01Å; W365-F370 WeakPolarHBondContact O-CD1 3.42Å; M366-F370 WeakPolarHBondContact CA-O 3.47Å; N367-F370 PolarHBondContact N-O 3.02Å; N367-F370 CarbonylContact O-C 3.58Å; N367-F370 PolarHBondContact O-N 3.26Å; N367-F370 VanDerWaalsContact O-O 3.09Å; N367-F370 PolarHBondContact OD1-N 3.33Å; F370-I372 HydrophobicContact CE1-CB 3.89Å; F370-E375 HydrophobicContact CD2-CG 3.96Å; F370-E375 HydrophobicContact CE2-CB 4.37Å; F370-E375 HydrophobicContact CE2-CG 3.53Å; F370-E375 HydrophobicContact CZ-CB 4.33Å; F370-E375 HydrophobicContact CZ-CG 3.84Å | ||
| 371 | N | 94.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -127.7 | 103.2 | 176.2 | 174.6 | 0.2 | 0 | 0 | 0 | 109.3 | Y373 K374 E375 Y425 | N371-Y373 PolarHBondContact O-N 3.23Å; N371-Y373 PolarHBondContact OD1-N 2.86Å; N371-Y373 VanDerWaalsContact OD1-N 3.12Å; N371-K374 HydrophobicContact CB-CB 3.99Å; N371-K374 WeakPolarHBondContact O-CB 3.31Å; N371-K374 PolarHBondContact O-N 2.82Å; N371-E375 WeakPolarHBondContact O-CG 3.33Å; N371-E375 PolarHBondContact O-N 2.92Å; N371-Y425 PolarHBondContact ND2-O 3.45Å |
| 372 | I | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.8 | -32.4 | -177.4 | -171 | 167 | 0 | 0 | 0 | 114 | Y348 I351 L352 W365 M366 F370 L376 | Y348-I372 HydrophobicContact CD1-CD1 4.08Å; Y348-I372 HydrophobicContact CD1-CG1 3.98Å; Y348-I372 HydrophobicContact CG-CG1 4.19Å; I351-I372 HydrophobicContact CB-CD1 4.01Å; I351-I372 HydrophobicContact CG2-CD1 3.43Å; I351-I372 VanDerWaalsContact CG2-CD1 3.43Å; L352-I372 HydrophobicContact CD2-CD1 4.02Å; L352-I372 HydrophobicContact CD2-CG1 4.26Å; L352-I372 HydrophobicContact CD2-CG2 3.68Å; L352-I372 HydrophobicContact CG-CD1 3.96Å; L352-I372 HydrophobicContact CG-CG1 4.29Å; W365-I372 HydrophobicContact CB-CG2 4.46Å; W365-I372 HydrophobicContact CE3-CD1 3.9Å; W365-I372 HydrophobicContact CZ3-CD1 4.37Å; W365-I372 PolarHBondContact O-N 3.03Å; M366-I372 HydrophobicContact CE-CG2 3.4Å; M366-I372 HydrophobicContact CG-CG2 4.08Å; F370-I372 HydrophobicContact CE1-CB 3.89Å; I372-L376 WeakPolarHBondContact O-CB 3.46Å; I372-L376 PolarHBondContact O-N 2.99Å |
| 373 | Y | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.6 | -45 | 177 | -67.3 | -60.6 | 0 | 0 | 0 | 111.4 | L352 M366 N371 L376 F377 I411 S414 L418 L426 | L352-Y373 HydrophobicContact CD1-CD1 4.06Å; L352-Y373 HydrophobicContact CD1-CE1 3.86Å; L352-Y373 HydrophobicContact CD2-CD1 4.24Å; L352-Y373 HydrophobicContact CD2-CE1 3.65Å; L352-Y373 HydrophobicContact CG-CE1 4.43Å; M366-Y373 HydrophobicContact CE-CD2 3.61Å; M366-Y373 HydrophobicContact CE-CE2 3.06Å; M366-Y373 HydrophobicContact SD-CD2 4.17Å; M366-Y373 HydrophobicContact SD-CE2 3.78Å; N371-Y373 PolarHBondContact O-N 3.23Å; N371-Y373 PolarHBondContact OD1-N 2.86Å; N371-Y373 VanDerWaalsContact OD1-N 3.12Å; Y373-L376 PolarHBondContact O-N 3.39Å; Y373-F377 WeakPolarHBondContact O-CD2 3.19Å; Y373-F377 PolarHBondContact O-N 3.33Å; Y373-I411 HydrophobicContact CD1-CG2 4.31Å; Y373-I411 HydrophobicContact CE1-CG2 4.04Å; Y373-S414 WeakPolarHBondContact CE1-OG 3.39Å; Y373-S414 PolarHBondContact OH-OG 2.68Å; Y373-L418 HydrophobicContact CE2-CD1 4.42Å; Y373-L418 HydrophobicContact CE2-CD2 4.27Å; Y373-L426 HydrophobicContact CD1-CD1 4.09Å; Y373-L426 HydrophobicContact CD2-CB 3.98Å; Y373-L426 HydrophobicContact CD2-CD1 3.86Å; Y373-L426 HydrophobicContact CE1-CD1 4.13Å; Y373-L426 HydrophobicContact CE2-CB 3.89Å; Y373-L426 HydrophobicContact CE2-CD1 3.85Å; Y373-L426 HydrophobicContact CE2-CG 4.4Å; Y373-L426 HydrophobicContact CG-CD1 3.98Å |
| 374 | K | 96.9 | Very high | 91.9 | Very high | 93 Ų | 93 | 44.7 Ų | 44.7 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 177.9 | -178.8 | -177.8 | 168.2 | -170.9 | 0 | 110.3 | N371 L376 F377 E378 A429 | N371-K374 HydrophobicContact CB-CB 3.99Å; N371-K374 WeakPolarHBondContact O-CB 3.31Å; N371-K374 PolarHBondContact O-N 2.82Å; K374-L376 VanDerWaalsContact C-N 3.3Å; K374-L376 PolarHBondContact O-N 2.81Å; K374-F377 PolarHBondContact O-N 3.27Å; K374-F377 VanDerWaalsContact O-N 3.16Å; K374-E378 WeakPolarHBondContact CE-OE1 3.11Å; K374-E378 HydrophobicContact CG-CG 4.48Å; K374-E378 IonicContact NZ-OE1 2.66Å; K374-E378 WeakPolarHBondContact O-CG 3.01Å; K374-E378 PolarHBondContact O-N 3.06Å; K374-A429 HydrophobicContact CB-CB 4.19Å |
| 375 | E | 96.4 | Very high | 90.9 | Very high | 53 Ų | 53 | 45.9 Ų | 45.9 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 178.3 | -63.7 | -70.2 | 151.2 | 0 | 0 | 112.4 | Y348 F370 N371 A379 | Y348-E375 HydrophobicContact CD2-CB 4.46Å; Y348-E375 HydrophobicContact CE2-CB 3.68Å; F370-E375 HydrophobicContact CD2-CG 3.96Å; F370-E375 HydrophobicContact CE2-CB 4.37Å; F370-E375 HydrophobicContact CE2-CG 3.53Å; F370-E375 HydrophobicContact CZ-CB 4.33Å; F370-E375 HydrophobicContact CZ-CG 3.84Å; N371-E375 WeakPolarHBondContact O-CG 3.33Å; N371-E375 PolarHBondContact O-N 2.92Å; E375-A379 VanDerWaalsContact O-CB 3.29Å; E375-A379 WeakPolarHBondContact O-CB 3.47Å; E375-A379 PolarHBondContact O-N 3.45Å |
| 376 | L | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 176.3 | -177.7 | 153.1 | 0 | 0 | 0 | 111.9 | Y348 L352 I372 Y373 K374 A379 C380 L407 I411 | Y348-L376 HydrophobicContact CD2-CB 4.06Å; L352-L376 HydrophobicContact CD1-CD1 3.63Å; I372-L376 WeakPolarHBondContact O-CB 3.46Å; I372-L376 PolarHBondContact O-N 2.99Å; Y373-L376 PolarHBondContact O-N 3.39Å; K374-L376 VanDerWaalsContact C-N 3.3Å; K374-L376 PolarHBondContact O-N 2.81Å; L376-A379 PolarHBondContact O-N 2.99Å; L376-C380 PolarHBondContact O-N 3.45Å; L376-C380 PolarHBondContact O-SG 2.95Å; L376-L407 HydrophobicContact CD1-CD1 3.71Å; L376-L407 HydrophobicContact CD2-CD1 4.17Å; L376-L407 HydrophobicContact CD2-CD2 4.14Å; L376-L407 HydrophobicContact CD2-CG 4.33Å; L376-L407 HydrophobicContact CG-CD1 4.26Å; L376-I411 HydrophobicContact CD1-CD1 4.47Å; L376-I411 HydrophobicContact CD1-CG1 4.28Å; L376-I411 HydrophobicContact CD2-CD1 3.75Å; L376-I411 HydrophobicContact CD2-CG1 4.42Å |
| 377 | F | 97.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.9 | -41 | 177.8 | -73.4 | -61.3 | 0 | 0 | 0 | 112.1 | Y373 K374 A379 C380 E381 A429 L430 S433 V441 L444 A445 | Y373-F377 WeakPolarHBondContact O-CD2 3.19Å; Y373-F377 PolarHBondContact O-N 3.33Å; K374-F377 PolarHBondContact O-N 3.27Å; K374-F377 VanDerWaalsContact O-N 3.16Å; F377-A379 VanDerWaalsContact C-N 3.31Å; F377-A379 PolarHBondContact O-N 3.13Å; F377-C380 WeakPolarHBondContact O-CA 3.05Å; F377-C380 VanDerWaalsContact O-CB 3.31Å; F377-C380 WeakPolarHBondContact O-CB 3.42Å; F377-C380 PolarHBondContact O-N 3.09Å; F377-C380 VanDerWaalsContact O-N 3.08Å; F377-E381 PolarHBondContact O-N 3.22Å; F377-A429 HydrophobicContact CD2-CB 4.36Å; F377-L430 HydrophobicContact CE2-CD2 4.12Å; F377-L430 HydrophobicContact CZ-CD2 4.01Å; F377-S433 WeakPolarHBondContact CB-OG 3.35Å; F377-S433 WeakPolarHBondContact CD2-OG 3.48Å; F377-S433 WeakPolarHBondContact CG-OG 3.16Å; F377-V441 HydrophobicContact CB-CG1 4.13Å; F377-V441 HydrophobicContact CD1-CG1 4.06Å; F377-V441 HydrophobicContact CG-CG1 4.46Å; F377-L444 HydrophobicContact CD1-CD2 4.37Å; F377-L444 HydrophobicContact CE1-CB 4.3Å; F377-L444 HydrophobicContact CE1-CD2 3.93Å; F377-L444 HydrophobicContact CE1-CG 3.99Å; F377-A445 HydrophobicContact CE1-CB 3.98Å; F377-A445 HydrophobicContact CZ-CB 4.08Å |
| 378 | E | 96.1 | Very high | 85 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 175 | -71.9 | 178.4 | 178.7 | 0 | 0 | 111.8 | K374 C380 E381 | K374-E378 WeakPolarHBondContact CE-OE1 3.11Å; K374-E378 HydrophobicContact CG-CG 4.48Å; K374-E378 IonicContact NZ-OE1 2.66Å; K374-E378 WeakPolarHBondContact O-CG 3.01Å; K374-E378 PolarHBondContact O-N 3.06Å; E378-C380 VanDerWaalsContact C-N 3.34Å; E378-E381 WeakPolarHBondContact O-CB 3.07Å; E378-E381 PolarHBondContact O-N 2.94Å |
| 379 | A | 94.5 | Very high | 82.8 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I344 E375 L376 F377 E381 K382 | I344-A379 HydrophobicContact CG2-CB 3.64Å; E375-A379 VanDerWaalsContact O-CB 3.29Å; E375-A379 WeakPolarHBondContact O-CB 3.47Å; E375-A379 PolarHBondContact O-N 3.45Å; L376-A379 PolarHBondContact O-N 2.99Å; F377-A379 VanDerWaalsContact C-N 3.31Å; F377-A379 PolarHBondContact O-N 3.13Å; A379-E381 VanDerWaalsContact C-N 3.26Å; A379-E381 PolarHBondContact O-N 2.99Å; A379-K382 PolarHBondContact O-N 3.07Å |
| 380 | C | 93.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -27.8 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | C345 L376 F377 E378 K382 I383 L407 H438 L440 V441 | C345-C380 PolarHBondContact SG-SG 2.91Å; L376-C380 PolarHBondContact O-N 3.45Å; L376-C380 PolarHBondContact O-SG 2.95Å; F377-C380 WeakPolarHBondContact O-CA 3.05Å; F377-C380 VanDerWaalsContact O-CB 3.31Å; F377-C380 WeakPolarHBondContact O-CB 3.42Å; F377-C380 PolarHBondContact O-N 3.09Å; F377-C380 VanDerWaalsContact O-N 3.08Å; E378-C380 VanDerWaalsContact C-N 3.34Å; C380-K382 PolarHBondContact O-N 3.04Å; C380-I383 PolarHBondContact O-N 2.74Å; C380-L407 VanDerWaalsContact SG-CD2 3.59Å; C380-H438 PolarHBondContact O-CE1 3.16Å; C380-H438 PolarHBondContact O-ND1 2.9Å; C380-L440 HydrophobicContact CB-CD2 3.73Å; C380-V441 HydrophobicContact CB-CG2 3.47Å; C380-V441 VanDerWaalsContact CB-CG2 3.47Å |
| 381 | E | 92.3 | Very high | 77.9 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.9 | -25.5 | 175.4 | -70.2 | -177.2 | 168 | 0 | 0 | 112.8 | F377 E378 A379 I383 S436 H438 V441 | F377-E381 PolarHBondContact O-N 3.22Å; E378-E381 WeakPolarHBondContact O-CB 3.07Å; E378-E381 PolarHBondContact O-N 2.94Å; A379-E381 VanDerWaalsContact C-N 3.26Å; A379-E381 PolarHBondContact O-N 2.99Å; E381-I383 VanDerWaalsContact C-N 3.28Å; E381-I383 PolarHBondContact O-N 2.95Å; E381-S436 WeakPolarHBondContact OE1-CB 3.39Å; E381-S436 PolarHBondContact OE1-OG 3.04Å; E381-H438 HydrophobicContact CB-CB 4.39Å; E381-H438 HydrophobicContact CG-CB 4Å; E381-V441 HydrophobicContact CB-CG2 4.33Å; E381-V441 HydrophobicContact CG-CB 4.15Å; E381-V441 HydrophobicContact CG-CG1 4.13Å; E381-V441 HydrophobicContact CG-CG2 3.54Å |
| 382 | K | 91.6 | Very high | 75.3 | Confident | 167 Ų | 167 | 67.5 Ų | 67.5 | 73% | 0.726 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3 | 179.1 | -62.1 | 176.1 | -176 | 176.6 | 0 | 113.4 | A341 A379 C380 D384 | A341-K382 HydrophobicContact CB-CB 3.67Å; A379-K382 PolarHBondContact O-N 3.07Å; C380-K382 PolarHBondContact O-N 3.04Å; K382-D384 PolarHBondContact O-N 3.22Å |
| 383 | I | 85.6 | Confident | 72.3 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.036 | 42% | 0.42 | C | S | . | . | trans | -81.6 | 116.1 | -180 | -60.4 | 177.3 | 0 | 0 | 0 | 109.1 | A341 P342 C380 E381 L385 Y397 F403 H438 | A341-I383 HydrophobicContact CB-CG1 3.76Å; P342-I383 HydrophobicContact CG-CG1 4.33Å; C380-I383 PolarHBondContact O-N 2.74Å; E381-I383 VanDerWaalsContact C-N 3.28Å; E381-I383 PolarHBondContact O-N 2.95Å; I383-L385 PolarHBondContact O-N 3.12Å; I383-Y397 HydrophobicContact CG2-CE1 4.33Å; I383-F403 HydrophobicContact CD1-CE1 3.64Å; I383-F403 HydrophobicContact CD1-CE2 4.46Å; I383-F403 HydrophobicContact CD1-CZ 3.45Å; I383-F403 VanDerWaalsContact CD1-CZ 3.45Å; I383-H438 PolarHBondContact O-NE2 3.44Å; I383-H438 VanDerWaalsContact O-NE2 3.11Å | ||
| 384 | D | 76.4 | Confident | 69.5 | Low | 98 Ų | 98 | 79.9 Ų | 79.9 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | trans | -72.4 | 113.8 | 173.3 | -167.8 | 0.4 | 0 | 0 | 0 | 111.1 | K382 S386 | K382-D384 PolarHBondContact O-N 3.22Å; D384-S386 WeakPolarHBondContact OD1-CA 3.45Å; D384-S386 VanDerWaalsContact OD1-CB 3.3Å; D384-S386 WeakPolarHBondContact OD1-CB 3.38Å; D384-S386 PolarHBondContact OD1-N 3.05Å; D384-S386 PolarHBondContact OD1-OG 2.89Å; D384-S386 PolarHBondContact OD2-OG 3.41Å | ||
| 385 | L | 66.7 | Low | 66.9 | Low | 75 Ų | 75 | 81.7 Ų | 81.7 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | trans | -89.4 | -13.8 | 173.7 | -64.9 | 171.1 | 0 | 0 | 0 | 112.6 | I383 G387 P439 L440 | I383-L385 PolarHBondContact O-N 3.12Å; L385-G387 PolarHBondContact O-N 3.04Å; L385-P439 HydrophobicContact CD1-CG 3.83Å; L385-L440 HydrophobicContact CD1-CB 3.84Å; L385-L440 HydrophobicContact CD2-CD1 4.15Å | ||
| 386 | S | 55.2 | Low | 64.5 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | trans | -75.1 | 96.7 | 175.7 | 77.4 | 0 | 0 | 0 | 0 | 107.1 | D384 K388 | D384-S386 WeakPolarHBondContact OD1-CA 3.45Å; D384-S386 VanDerWaalsContact OD1-CB 3.3Å; D384-S386 WeakPolarHBondContact OD1-CB 3.38Å; D384-S386 PolarHBondContact OD1-N 3.05Å; D384-S386 PolarHBondContact OD1-OG 2.89Å; D384-S386 PolarHBondContact OD2-OG 3.41Å; S386-K388 PolarHBondContact O-N 3.38Å | ||
| 387 | G | 50.8 | Low | 62.2 | Low | 68 Ų | 68 | 90.4 Ų | 90.4 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | trans | -65.1 | 35.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | L385 N389 | L385-G387 PolarHBondContact O-N 3.04Å; G387-N389 VanDerWaalsContact C-N 3.33Å; G387-N389 PolarHBondContact O-N 3.44Å; G387-N389 VanDerWaalsContact O-N 3.08Å | ||
| 388 | K | 39.5 | Very low | 59.7 | Low | 185 Ų | 185 | 92.8 Ų | 92.8 | 80% | 0.804 | 51% | 0.505 | S | S | * | . | trans | -77.5 | 80.8 | 171.9 | -71.5 | -173.1 | 177 | -178.7 | 0 | 109.4 | S386 | S386-K388 PolarHBondContact O-N 3.38Š| ||
| 389 | N | 42.4 | Very low | 57.7 | Low | 101 Ų | 101 | 90.6 Ų | 90.6 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | trans | -109.7 | 126.8 | 156.5 | -79.5 | -29.1 | 0 | 0 | 0 | 109 | G387 G391 | G387-N389 VanDerWaalsContact C-N 3.33Å; G387-N389 PolarHBondContact O-N 3.44Å; G387-N389 VanDerWaalsContact O-N 3.08Å; N389-G391 PolarHBondContact O-N 3.04Å | ||
| 390 | D | 35.5 | Very low | 56.4 | Low | 160 Ų | 160 | 93.1 Ų | 93.1 | 86% | 0.856 | 52% | 0.515 | S | S | * | . | trans | -48.6 | 118 | 175.4 | -83.1 | -35.5 | 0 | 0 | 0 | 111.8 | T392 | D390-T392 PolarHBondContact O-N 3.33Å; D390-T392 PolarHBondContact O-OG1 3.2Å | ||
| 391 | G | 39.8 | Very low | 55.6 | Low | 86 Ų | 86 | 96.1 Ų | 96.1 | 89% | 0.887 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 57.2 | -1.4 | 147 | 0 | 0 | 0 | 0 | 0 | 119.6 | N389 | N389-G391 PolarHBondContact O-N 3.04Š|
| 392 | T | 38.8 | Very low | 55 | Low | 90 Ų | 90 | 93.7 Ų | 93.7 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | trans | -103.5 | 122 | 173.8 | 48.4 | 0 | 0 | 0 | 0 | 106.5 | D390 D394 | D390-T392 PolarHBondContact O-N 3.33Å; D390-T392 PolarHBondContact O-OG1 3.2Å; T392-D394 PolarHBondContact O-N 2.96Å | ||
| 393 | N | 34.5 | Very low | 54.6 | Low | 164 Ų | 164 | 86.6 Ų | 86.6 | 88% | 0.877 | 50% | 0.497 | S | S | * | . | trans | -64.2 | 32.4 | 174.5 | -69.2 | -22.7 | 0 | 0 | 0 | 112.7 | E395 | N393-E395 VanDerWaalsContact C-N 3.33Å; N393-E395 PolarHBondContact O-N 3.3Å | ||
| 394 | D | 38.2 | Very low | 54.7 | Low | 96 Ų | 96 | 88 Ų | 88 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | trans | -76.4 | 91.2 | 171.2 | -91 | -2.4 | 0 | 0 | 0 | 107.6 | T392 K396 | T392-D394 PolarHBondContact O-N 2.96Å; D394-K396 HydrophobicContact CB-CG 4.37Å; D394-K396 PolarHBondContact O-N 3.13Å | ||
| 395 | E | 42.6 | Very low | 55.4 | Low | 132 Ų | 132 | 86.4 Ų | 86.4 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | trans | -52 | 66.9 | 159.3 | -59.6 | 176.7 | 162.8 | 0 | 0 | 110.7 | N393 Y397 P398 | N393-E395 VanDerWaalsContact C-N 3.33Å; N393-E395 PolarHBondContact O-N 3.3Å; E395-Y397 VanDerWaalsContact C-N 3.28Å; E395-Y397 PolarHBondContact O-N 2.99Å; E395-P398 HydrophobicContact CB-CG 3.93Å; E395-P398 WeakPolarHBondContact O-CD 3.42Å; E395-P398 WeakPolarHBondContact O-CG 2.91Å | ||
| 396 | K | 45 | Very low | 56.5 | Low | 136 Ų | 136 | 84 Ų | 84 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | trans | -74.4 | -17.6 | -179.4 | -90.3 | -179.6 | -180 | 176.3 | 0 | 113.1 | D394 | D394-K396 HydrophobicContact CB-CG 4.37Å; D394-K396 PolarHBondContact O-N 3.13Å | ||
| 397 | Y | 49.8 | Very low | 58.3 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | trans | -126.2 | 25.4 | -178.6 | -75.2 | -76.3 | 0 | 0 | 0 | 119.2 | I383 E395 C399 S400 | I383-Y397 HydrophobicContact CG2-CE1 4.33Å; E395-Y397 VanDerWaalsContact C-N 3.28Å; E395-Y397 PolarHBondContact O-N 2.99Å; Y397-C399 PolarHBondContact O-N 3.16Å; Y397-C399 VanDerWaalsContact O-N 3.08Å; Y397-S400 PolarHBondContact O-N 3.39Å; Y397-S400 PolarHBondContact O-OG 2.9Å | ||
| 398 | P | 44.7 | Very low | 60.5 | Low | 52 Ų | 52 | 79.4 Ų | 79.4 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.4 | 162.3 | 30.8 | -33.9 | 0 | 0 | 0 | 111.5 | L287 E395 | L287-P398 HydrophobicContact CD1-CB 4.16Å; E395-P398 HydrophobicContact CB-CG 3.93Å; E395-P398 WeakPolarHBondContact O-CD 3.42Å; E395-P398 WeakPolarHBondContact O-CG 2.91Å |
| 399 | C | 54.3 | Low | 63.2 | Low | 28 Ų | 28 | 77 Ų | 77 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 3.3 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | Y397 A401 E402 F403 | Y397-C399 PolarHBondContact O-N 3.16Å; Y397-C399 VanDerWaalsContact O-N 3.08Å; C399-A401 VanDerWaalsContact C-N 3.27Å; C399-A401 PolarHBondContact O-N 3.48Å; C399-E402 PolarHBondContact O-N 3.44Å; C399-F403 VanDerWaalsContact O-CB 3.25Å; C399-F403 WeakPolarHBondContact O-CB 3.32Å; C399-F403 PolarHBondContact O-N 2.93Å |
| 400 | S | 68 | Low | 65.7 | Low | 61 Ų | 61 | 73.4 Ų | 73.4 | 43% | 0.427 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.7 | -39.2 | -178.5 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | Y397 Y404 | Y397-S400 PolarHBondContact O-N 3.39Å; Y397-S400 PolarHBondContact O-OG 2.9Å; S400-Y404 WeakPolarHBondContact O-CB 3.35Å; S400-Y404 PolarHBondContact O-N 3.47Å |
| 401 | A | 75.1 | Confident | 68.7 | Low | 64 Ų | 64 | 65.8 Ų | 65.8 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70 | -45.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | C399 Y404 T405 | C399-A401 VanDerWaalsContact C-N 3.27Å; C399-A401 PolarHBondContact O-N 3.48Å; A401-Y404 PolarHBondContact O-N 2.8Å; A401-T405 WeakPolarHBondContact O-CB 3.31Å; A401-T405 VanDerWaalsContact O-CG2 3.27Å; A401-T405 WeakPolarHBondContact O-CG2 3.39Å; A401-T405 PolarHBondContact O-N 3.27Å; A401-T405 PolarHBondContact O-OG1 3.03Å |
| 402 | E | 80.6 | Confident | 71.5 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -53.9 | 175.1 | 177.7 | -79.9 | 135.9 | 0 | 0 | 110.1 | Y285 R346 C399 Y404 T405 T406 | Y285-E402 HydrophobicContact CD1-CG 3.57Å; Y285-E402 HydrophobicContact CE1-CG 4.08Å; Y285-E402 WeakPolarHBondContact CE1-OE1 3.16Å; Y285-E402 HydrophobicContact CG-CG 4.35Å; R346-E402 IonicContact CZ-OE2 2.77Å; R346-E402 IonicContact NH1-OE1 3.62Å; R346-E402 PolarHBondContact NH1-OE1 3.43Å; R346-E402 IonicContact NH1-OE2 3.38Å; R346-E402 PolarHBondContact NH1-OE2 3.12Å; R346-E402 IonicContact NH2-OE2 3.09Å; R346-E402 PolarHBondContact NH2-OE2 3.37Å; C399-E402 PolarHBondContact O-N 3.44Å; E402-Y404 VanDerWaalsContact C-N 3.3Å; E402-Y404 PolarHBondContact O-N 3.41Å; E402-T405 PolarHBondContact O-N 2.99Å; E402-T405 VanDerWaalsContact O-N 3.11Å; E402-T405 PolarHBondContact O-OG1 2.89Å; E402-T406 WeakPolarHBondContact O-CB 3.35Å; E402-T406 PolarHBondContact O-N 3.49Å; E402-T406 PolarHBondContact O-OG1 3.13Å; E402-T406 VanDerWaalsContact O-OG1 3.1Å; E402-T406 WeakPolarHBondContact OE1-CB 3.26Å; E402-T406 PolarHBondContact OE1-OG1 3.45Å |
| 403 | F | 83.9 | Confident | 74.2 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.9 | -49.9 | 179.6 | 176 | -96.2 | 0 | 0 | 0 | 111.1 | P342 C345 R346 I383 C399 L407 L440 | P342-F403 HydrophobicContact CB-CE2 4.49Å; C345-F403 HydrophobicContact CB-CE2 3.99Å; C345-F403 HydrophobicContact CB-CZ 3.69Å; R346-F403 HydrophobicContact CG-CD2 4.37Å; R346-F403 HydrophobicContact CG-CE2 4.1Å; I383-F403 HydrophobicContact CD1-CE1 3.64Å; I383-F403 HydrophobicContact CD1-CE2 4.46Å; I383-F403 HydrophobicContact CD1-CZ 3.45Å; I383-F403 VanDerWaalsContact CD1-CZ 3.45Å; C399-F403 VanDerWaalsContact O-CB 3.25Å; C399-F403 WeakPolarHBondContact O-CB 3.32Å; C399-F403 PolarHBondContact O-N 2.93Å; F403-L407 HydrophobicContact CE1-CD2 4.07Å; F403-L407 HydrophobicContact CZ-CD2 4.03Å; F403-L407 WeakPolarHBondContact O-CB 3.3Å; F403-L407 PolarHBondContact O-N 2.87Å; F403-L440 HydrophobicContact CD1-CD1 4.38Å; F403-L440 HydrophobicContact CE1-CD1 4.25Å |
| 404 | Y | 87.7 | Confident | 77.1 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -50.5 | 177.3 | -176.7 | -90.4 | 0 | 0 | 0 | 112 | S400 A401 E402 L408 L440 L443 L444 D447 | S400-Y404 WeakPolarHBondContact O-CB 3.35Å; S400-Y404 PolarHBondContact O-N 3.47Å; A401-Y404 PolarHBondContact O-N 2.8Å; E402-Y404 VanDerWaalsContact C-N 3.3Å; E402-Y404 PolarHBondContact O-N 3.41Å; Y404-L408 HydrophobicContact CE1-CD2 4.04Å; Y404-L408 VanDerWaalsContact O-CB 3.24Å; Y404-L408 WeakPolarHBondContact O-CB 3.28Å; Y404-L408 PolarHBondContact O-N 3.19Å; Y404-L440 HydrophobicContact CD2-CG 4.44Å; Y404-L443 HydrophobicContact CE2-CD2 4.37Å; Y404-L443 HydrophobicContact CE2-CG 4.44Å; Y404-L443 PolarHBondContact OH-O 3.45Å; Y404-L444 HydrophobicContact CD2-CD1 4.33Å; Y404-L444 HydrophobicContact CE2-CB 3.9Å; Y404-L444 HydrophobicContact CE2-CD1 3.9Å; Y404-D447 PolarHBondContact OH-OD2 3.11Å |
| 405 | T | 89.6 | Confident | 79.9 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | -176.6 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | A401 E402 L408 Q409 | A401-T405 WeakPolarHBondContact O-CB 3.31Å; A401-T405 VanDerWaalsContact O-CG2 3.27Å; A401-T405 WeakPolarHBondContact O-CG2 3.39Å; A401-T405 PolarHBondContact O-N 3.27Å; A401-T405 PolarHBondContact O-OG1 3.03Å; E402-T405 PolarHBondContact O-N 2.99Å; E402-T405 VanDerWaalsContact O-N 3.11Å; E402-T405 PolarHBondContact O-OG1 2.89Å; T405-L408 PolarHBondContact O-N 3.37Å; T405-Q409 WeakPolarHBondContact O-CB 3.26Å; T405-Q409 WeakPolarHBondContact O-CG 3.41Å; T405-Q409 PolarHBondContact O-N 3.48Å |
| 406 | T | 90 | Very high | 82.4 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | 177.1 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | E402 Q409 Q410 | E402-T406 WeakPolarHBondContact O-CB 3.35Å; E402-T406 PolarHBondContact O-N 3.49Å; E402-T406 PolarHBondContact O-OG1 3.13Å; E402-T406 VanDerWaalsContact O-OG1 3.1Å; E402-T406 WeakPolarHBondContact OE1-CB 3.26Å; E402-T406 PolarHBondContact OE1-OG1 3.45Å; T406-Q409 PolarHBondContact O-N 3.48Å; T406-Q410 WeakPolarHBondContact O-CB 3.46Å; T406-Q410 VanDerWaalsContact O-CG 3.27Å; T406-Q410 WeakPolarHBondContact O-CG 3.14Å; T406-Q410 PolarHBondContact O-N 2.84Å |
| 407 | L | 93.4 | Very high | 84.6 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 179.7 | -170.8 | 60.5 | 0 | 0 | 0 | 111.5 | L376 C380 F403 Q409 Q410 I411 L444 | L376-L407 HydrophobicContact CD1-CD1 3.71Å; L376-L407 HydrophobicContact CD2-CD1 4.17Å; L376-L407 HydrophobicContact CD2-CD2 4.14Å; L376-L407 HydrophobicContact CD2-CG 4.33Å; L376-L407 HydrophobicContact CG-CD1 4.26Å; C380-L407 VanDerWaalsContact SG-CD2 3.59Å; F403-L407 HydrophobicContact CE1-CD2 4.07Å; F403-L407 HydrophobicContact CZ-CD2 4.03Å; F403-L407 WeakPolarHBondContact O-CB 3.3Å; F403-L407 PolarHBondContact O-N 2.87Å; L407-Q409 VanDerWaalsContact C-N 3.34Å; L407-Q409 PolarHBondContact O-N 2.87Å; L407-Q410 PolarHBondContact O-N 3.12Å; L407-I411 HydrophobicContact CD1-CD1 4.46Å; L407-I411 HydrophobicContact CG-CD1 4.05Å; L407-I411 VanDerWaalsContact O-CG1 3.26Å; L407-I411 WeakPolarHBondContact O-CG1 3.42Å; L407-I411 PolarHBondContact O-N 3.38Å; L407-L444 HydrophobicContact CD2-CD2 3.74Å; L407-L444 HydrophobicContact CG-CD2 4.17Å |
| 408 | L | 96.6 | Very high | 86.7 | Confident | 33 Ų | 33 | 35 Ų | 35 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.5 | -47.2 | 174.2 | 177.4 | 60.8 | 0 | 0 | 0 | 111.3 | Y404 T405 Q410 I411 C412 L444 D447 V448 | Y404-L408 HydrophobicContact CE1-CD2 4.04Å; Y404-L408 VanDerWaalsContact O-CB 3.24Å; Y404-L408 WeakPolarHBondContact O-CB 3.28Å; Y404-L408 PolarHBondContact O-N 3.19Å; T405-L408 PolarHBondContact O-N 3.37Å; L408-Q410 PolarHBondContact O-N 3.06Å; L408-I411 PolarHBondContact O-N 3.33Å; L408-C412 WeakPolarHBondContact O-CB 3.48Å; L408-C412 PolarHBondContact O-N 3.48Å; L408-C412 PolarHBondContact O-SG 3.47Å; L408-L444 HydrophobicContact CB-CD1 3.75Å; L408-L444 HydrophobicContact CD1-CD1 4.01Å; L408-L444 HydrophobicContact CG-CD1 4.42Å; L408-D447 HydrophobicContact CD1-CB 3.86Å; L408-D447 HydrophobicContact CD2-CB 4.15Å; L408-V448 HydrophobicContact CD1-CG2 3.66Å |
| 409 | Q | 95.9 | Very high | 88.9 | Confident | 133 Ų | 133 | 34.5 Ų | 34.5 | 62% | 0.621 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61 | -43.5 | 178.7 | -76.2 | 172 | 6.5 | 0 | 0 | 112 | T405 T406 L407 C412 A413 | T405-Q409 WeakPolarHBondContact O-CB 3.26Å; T405-Q409 WeakPolarHBondContact O-CG 3.41Å; T405-Q409 PolarHBondContact O-N 3.48Å; T406-Q409 PolarHBondContact O-N 3.48Å; L407-Q409 VanDerWaalsContact C-N 3.34Å; L407-Q409 PolarHBondContact O-N 2.87Å; Q409-C412 PolarHBondContact O-N 3.41Å; Q409-A413 VanDerWaalsContact O-CB 3.26Å; Q409-A413 WeakPolarHBondContact O-CB 3.41Å; Q409-A413 PolarHBondContact O-N 3.5Å |
| 410 | Q | 96.5 | Very high | 90.6 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 178.8 | -73.1 | 172.6 | -28.6 | 0 | 0 | 112.1 | G349 T406 L407 L408 A413 S414 | G349-Q410 VanDerWaalsContact C-CD 3.41Å; G349-Q410 VanDerWaalsContact C-OE1 3.29Å; G349-Q410 WeakPolarHBondContact O-CB 3.48Å; T406-Q410 WeakPolarHBondContact O-CB 3.46Å; T406-Q410 VanDerWaalsContact O-CG 3.27Å; T406-Q410 WeakPolarHBondContact O-CG 3.14Å; T406-Q410 PolarHBondContact O-N 2.84Å; L407-Q410 PolarHBondContact O-N 3.12Å; L408-Q410 PolarHBondContact O-N 3.06Å; Q410-A413 PolarHBondContact O-N 2.91Å; Q410-S414 PolarHBondContact O-N 3.44Å |
| 411 | I | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 174 | -63 | 164.1 | 0 | 0 | 0 | 109.5 | L352 Y373 L376 L407 L408 A413 S414 V415 L444 V448 | L352-I411 HydrophobicContact CD1-CG1 4.01Å; Y373-I411 HydrophobicContact CD1-CG2 4.31Å; Y373-I411 HydrophobicContact CE1-CG2 4.04Å; L376-I411 HydrophobicContact CD1-CD1 4.47Å; L376-I411 HydrophobicContact CD1-CG1 4.28Å; L376-I411 HydrophobicContact CD2-CD1 3.75Å; L376-I411 HydrophobicContact CD2-CG1 4.42Å; L407-I411 HydrophobicContact CD1-CD1 4.46Å; L407-I411 HydrophobicContact CG-CD1 4.05Å; L407-I411 VanDerWaalsContact O-CG1 3.26Å; L407-I411 WeakPolarHBondContact O-CG1 3.42Å; L407-I411 PolarHBondContact O-N 3.38Å; L408-I411 PolarHBondContact O-N 3.33Å; I411-A413 VanDerWaalsContact C-N 3.33Å; I411-A413 PolarHBondContact O-N 3.3Å; I411-S414 WeakPolarHBondContact O-CB 3.37Å; I411-S414 PolarHBondContact O-N 3.14Å; I411-S414 VanDerWaalsContact O-N 3.08Å; I411-S414 PolarHBondContact O-OG 3Å; I411-V415 WeakPolarHBondContact O-CG2 3.41Å; I411-V415 PolarHBondContact O-N 3.39Å; I411-L444 HydrophobicContact CD1-CD1 4.46Å; I411-L444 HydrophobicContact CD1-CD2 3.95Å; I411-L444 HydrophobicContact CD1-CG 4.25Å; I411-V448 HydrophobicContact CB-CG2 4.12Å; I411-V448 HydrophobicContact CD1-CG2 4.26Å; I411-V448 HydrophobicContact CG2-CB 4.31Å; I411-V448 HydrophobicContact CG2-CG1 3.66Å; I411-V448 HydrophobicContact CG2-CG2 3.59Å |
| 412 | C | 97.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 8% | 0.081 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | -179.3 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | L408 Q409 S414 V415 C416 F451 | L408-C412 WeakPolarHBondContact O-CB 3.48Å; L408-C412 PolarHBondContact O-N 3.48Å; L408-C412 PolarHBondContact O-SG 3.47Å; Q409-C412 PolarHBondContact O-N 3.41Å; C412-S414 VanDerWaalsContact C-N 3.31Å; C412-S414 PolarHBondContact O-N 2.89Å; C412-V415 WeakPolarHBondContact O-CB 3.49Å; C412-V415 PolarHBondContact O-N 3.08Å; C412-V415 VanDerWaalsContact O-N 3.12Å; C412-C416 PolarHBondContact O-N 3.28Å; C412-C416 PolarHBondContact O-SG 2.93Å; C412-C416 VanDerWaalsContact O-SG 3.35Å; C412-F451 HydrophobicContact CB-CD1 3.71Å; C412-F451 HydrophobicContact CB-CD2 4.07Å; C412-F451 HydrophobicContact CB-CE1 3.69Å; C412-F451 HydrophobicContact CB-CE2 4.04Å; C412-F451 HydrophobicContact CB-CG 3.91Å; C412-F451 HydrophobicContact CB-CZ 3.85Å; C412-F451 WeakPolarHBondContact O-CE1 3.48Å; C412-F451 VanDerWaalsContact SG-CG 3.52Å |
| 413 | A | 96 | Very high | 93.3 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S356 Q409 Q410 I411 V415 C416 | S356-A413 WeakPolarHBondContact CB-O 3.24Å; Q409-A413 VanDerWaalsContact O-CB 3.26Å; Q409-A413 WeakPolarHBondContact O-CB 3.41Å; Q409-A413 PolarHBondContact O-N 3.5Å; Q410-A413 PolarHBondContact O-N 2.91Å; I411-A413 VanDerWaalsContact C-N 3.33Å; I411-A413 PolarHBondContact O-N 3.3Å; A413-V415 VanDerWaalsContact C-N 3.3Å; A413-V415 PolarHBondContact O-N 2.91Å; A413-C416 WeakPolarHBondContact O-CB 3.3Å; A413-C416 PolarHBondContact O-N 2.92Å |
| 414 | S | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -28.9 | 174.7 | 79.3 | 0 | 0 | 0 | 0 | 113.6 | L352 Y362 Y373 Q410 I411 C412 C416 G417 L418 | L352-S414 WeakPolarHBondContact O-CB 3.39Å; Y362-S414 PolarHBondContact OH-O 2.92Å; Y373-S414 WeakPolarHBondContact CE1-OG 3.39Å; Y373-S414 PolarHBondContact OH-OG 2.68Å; Q410-S414 PolarHBondContact O-N 3.44Å; I411-S414 WeakPolarHBondContact O-CB 3.37Å; I411-S414 PolarHBondContact O-N 3.14Å; I411-S414 VanDerWaalsContact O-N 3.08Å; I411-S414 PolarHBondContact O-OG 3Å; C412-S414 VanDerWaalsContact C-N 3.31Å; C412-S414 PolarHBondContact O-N 2.89Å; S414-C416 VanDerWaalsContact C-N 3.3Å; S414-C416 PolarHBondContact O-N 3.19Å; S414-G417 PolarHBondContact O-N 3.11Å; S414-L418 PolarHBondContact O-N 2.9Å |
| 415 | V | 96.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | I411 C412 A413 G417 L418 L426 V448 F451 V452 | I411-V415 WeakPolarHBondContact O-CG2 3.41Å; I411-V415 PolarHBondContact O-N 3.39Å; C412-V415 WeakPolarHBondContact O-CB 3.49Å; C412-V415 PolarHBondContact O-N 3.08Å; C412-V415 VanDerWaalsContact O-N 3.12Å; A413-V415 VanDerWaalsContact C-N 3.3Å; A413-V415 PolarHBondContact O-N 2.91Å; V415-G417 VanDerWaalsContact C-N 3.26Å; V415-G417 PolarHBondContact O-N 2.61Å; V415-L418 WeakPolarHBondContact O-CB 3.2Å; V415-L418 PolarHBondContact O-N 2.95Å; V415-L418 VanDerWaalsContact O-N 3.16Å; V415-L426 HydrophobicContact CG1-CD2 4.19Å; V415-L426 HydrophobicContact CG2-CD1 4.28Å; V415-L426 HydrophobicContact CG2-CD2 3.74Å; V415-V448 HydrophobicContact CG2-CG1 4.38Å; V415-F451 HydrophobicContact CB-CD1 4.43Å; V415-F451 HydrophobicContact CB-CE1 4.14Å; V415-F451 HydrophobicContact CG1-CD1 4.36Å; V415-F451 HydrophobicContact CG1-CE1 4.18Å; V415-V452 HydrophobicContact CG1-CG2 3.79Å; V415-V452 HydrophobicContact CG2-CG2 4.31Å |
| 416 | C | 94 | Very high | 94.7 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -30.9 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 113.8 | C412 A413 S414 Y455 | C412-C416 PolarHBondContact O-N 3.28Å; C412-C416 PolarHBondContact O-SG 2.93Å; C412-C416 VanDerWaalsContact O-SG 3.35Å; A413-C416 WeakPolarHBondContact O-CB 3.3Å; A413-C416 PolarHBondContact O-N 2.92Å; S414-C416 VanDerWaalsContact C-N 3.3Å; S414-C416 PolarHBondContact O-N 3.19Å; C416-Y455 HydrophobicContact CB-CE1 4.16Å; C416-Y455 HydrophobicContact CB-CE2 4.48Å |
| 417 | G | 91.9 | Very high | 95 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -4.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y362 S414 V415 S419 | Y362-G417 VanDerWaalsContact CE2-C 3.41Å; Y362-G417 WeakPolarHBondContact CE2-O 3.41Å; S414-G417 PolarHBondContact O-N 3.11Å; V415-G417 VanDerWaalsContact C-N 3.26Å; V415-G417 PolarHBondContact O-N 2.61Å; G417-S419 PolarHBondContact O-N 3.23Å |
| 418 | L | 94.2 | Very high | 95.1 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | trans | -68.1 | 129.5 | -167.5 | -170 | 62.5 | 0 | 0 | 0 | 112 | Y362 M366 Y373 S414 V415 C422 F423 L426 | Y362-L418 HydrophobicContact CD1-CD1 3.36Å; Y362-L418 HydrophobicContact CE1-CB 4.39Å; Y362-L418 HydrophobicContact CE1-CD1 3.48Å; Y362-L418 VanDerWaalsContact CE1-CD1 3.48Å; Y362-L418 HydrophobicContact CG-CD1 3.94Å; M366-L418 HydrophobicContact CE-CD1 4.13Å; M366-L418 HydrophobicContact SD-CD1 3.74Å; Y373-L418 HydrophobicContact CE2-CD1 4.42Å; Y373-L418 HydrophobicContact CE2-CD2 4.27Å; S414-L418 PolarHBondContact O-N 2.9Å; V415-L418 WeakPolarHBondContact O-CB 3.2Å; V415-L418 PolarHBondContact O-N 2.95Å; V415-L418 VanDerWaalsContact O-N 3.16Å; L418-C422 HydrophobicContact CD1-CB 3.63Å; L418-C422 HydrophobicContact CG-CB 4.42Å; L418-F423 HydrophobicContact CD2-CD2 3.92Å; L418-L426 HydrophobicContact CD2-CB 3.75Å; L418-L426 HydrophobicContact CD2-CD2 3.71Å; L418-L426 HydrophobicContact CD2-CG 4.35Å | ||
| 419 | S | 90.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 45.6 Ų | 45.6 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | trans | -74.6 | 155.2 | 177.5 | 81.2 | 0 | 0 | 0 | 0 | 112.2 | G417 V421 C422 F423 | G417-S419 PolarHBondContact O-N 3.23Å; S419-V421 PolarHBondContact O-N 2.66Å; S419-C422 PolarHBondContact O-N 3.26Å; S419-C422 VanDerWaalsContact O-N 3.09Å; S419-C422 PolarHBondContact OG-N 3.44Å; S419-F423 PolarHBondContact O-N 3.1Å | ||
| 420 | M | 90.8 | Very high | 95.3 | Very high | 182 Ų | 182 | 39.3 Ų | 39.3 | 90% | 0.897 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.5 | 176.1 | -68.1 | -168.5 | -67.1 | 0 | 0 | 113.2 | C422 | M420-C422 VanDerWaalsContact C-N 3.34Š|
| 421 | V | 91.5 | Very high | 95.2 | Very high | 117 Ų | 117 | 41.6 Ų | 41.6 | 71% | 0.709 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -35.7 | 178.7 | -179.2 | 0 | 0 | 0 | 0 | 111 | S419 P424 | S419-V421 PolarHBondContact O-N 2.66Å; V421-P424 WeakPolarHBondContact O-CD 3.27Å |
| 422 | C | 93.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10.7 | -178 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | Y362 M366 L418 S419 M420 P424 Y425 | Y362-C422 VanDerWaalsContact CB-SG 3.59Å; M366-C422 HydrophobicContact CB-CB 4.47Å; M366-C422 HydrophobicContact SD-CB 3.89Å; L418-C422 HydrophobicContact CD1-CB 3.63Å; L418-C422 HydrophobicContact CG-CB 4.42Å; S419-C422 PolarHBondContact O-N 3.26Å; S419-C422 VanDerWaalsContact O-N 3.09Å; S419-C422 PolarHBondContact OG-N 3.44Å; M420-C422 VanDerWaalsContact C-N 3.34Å; C422-P424 VanDerWaalsContact C-CD 3.47Å; C422-Y425 HydrophobicContact CB-CD2 4.37Å; C422-Y425 WeakPolarHBondContact O-CB 3.27Å; C422-Y425 WeakPolarHBondContact O-CD2 3.47Å; C422-Y425 PolarHBondContact O-N 3.48Å; C422-Y425 VanDerWaalsContact O-N 3.15Å |
| 423 | F | 95.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.2 | -40.2 | -178 | -164.3 | -102.2 | 0 | 0 | 0 | 114.4 | L418 S419 Y425 L426 E427 V452 L460 Y464 | L418-F423 HydrophobicContact CD2-CD2 3.92Å; S419-F423 PolarHBondContact O-N 3.1Å; F423-Y425 PolarHBondContact O-N 3.26Å; F423-L426 HydrophobicContact CD2-CD2 4.49Å; F423-L426 HydrophobicContact CE2-CD2 4.19Å; F423-L426 WeakPolarHBondContact O-CB 3.39Å; F423-L426 PolarHBondContact O-N 3.38Å; F423-E427 HydrophobicContact CD1-CG 3.96Å; F423-E427 VanDerWaalsContact CE1-CD 3.47Å; F423-E427 HydrophobicContact CE1-CG 3.74Å; F423-E427 WeakPolarHBondContact CE1-OE1 3.5Å; F423-E427 HydrophobicContact CZ-CG 4.42Å; F423-E427 PolarHBondContact O-N 2.96Å; F423-E427 VanDerWaalsContact O-N 3.16Å; F423-V452 HydrophobicContact CE2-CG1 4.1Å; F423-V452 HydrophobicContact CZ-CG1 3.79Å; F423-L460 HydrophobicContact CE1-CD1 4.43Å; F423-L460 HydrophobicContact CZ-CD2 4.06Å; F423-Y464 VanDerWaalsContact CE1-OH 3.25Å; F423-Y464 WeakPolarHBondContact CE1-OH 3.47Å; F423-Y464 VanDerWaalsContact CZ-OH 3.25Å; F423-Y464 WeakPolarHBondContact CZ-OH 3.38Å |
| 424 | P | 96.1 | Very high | 95 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.6 | -29.3 | 177.1 | -25.8 | 36.6 | 0 | 0 | 0 | 114.4 | V421 C422 L426 E427 T428 | V421-P424 WeakPolarHBondContact O-CD 3.27Å; C422-P424 VanDerWaalsContact C-CD 3.47Å; P424-L426 VanDerWaalsContact C-N 3.33Å; P424-E427 PolarHBondContact O-N 2.92Å; P424-T428 WeakPolarHBondContact O-CB 3.45Å; P424-T428 WeakPolarHBondContact O-CG2 3.48Å; P424-T428 PolarHBondContact O-N 3.26Å; P424-T428 PolarHBondContact O-OG1 2.88Å |
| 425 | Y | 96.6 | Very high | 94.8 | Very high | 49 Ų | 49 | 45 Ų | 45 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | 175.8 | -61.1 | -72.4 | 0 | 0 | 0 | 111.8 | M366 N367 D368 N371 C422 F423 T428 A429 | M366-Y425 HydrophobicContact CB-CD2 3.83Å; M366-Y425 HydrophobicContact CB-CE2 4.36Å; M366-Y425 HydrophobicContact CB-CG 4.14Å; N367-Y425 VanDerWaalsContact C-CE1 3.44Å; N367-Y425 WeakPolarHBondContact CA-OH 3.48Å; N367-Y425 WeakPolarHBondContact O-CE1 3.48Å; D368-Y425 PolarHBondContact OD1-OH 2.73Å; N371-Y425 PolarHBondContact ND2-O 3.45Å; C422-Y425 HydrophobicContact CB-CD2 4.37Å; C422-Y425 WeakPolarHBondContact O-CB 3.27Å; C422-Y425 WeakPolarHBondContact O-CD2 3.47Å; C422-Y425 PolarHBondContact O-N 3.48Å; C422-Y425 VanDerWaalsContact O-N 3.15Å; F423-Y425 PolarHBondContact O-N 3.26Å; Y425-T428 WeakPolarHBondContact CA-OG1 3.4Å; Y425-T428 PolarHBondContact O-OG1 3.22Å; Y425-A429 WeakPolarHBondContact O-CB 3.45Å; Y425-A429 PolarHBondContact O-N 3.1Å |
| 426 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 171.3 | 174.4 | 67.5 | 0 | 0 | 0 | 110.5 | Y373 V415 L418 F423 P424 T428 A429 L430 V448 V452 | Y373-L426 HydrophobicContact CD1-CD1 4.09Å; Y373-L426 HydrophobicContact CD2-CB 3.98Å; Y373-L426 HydrophobicContact CD2-CD1 3.86Å; Y373-L426 HydrophobicContact CE1-CD1 4.13Å; Y373-L426 HydrophobicContact CE2-CB 3.89Å; Y373-L426 HydrophobicContact CE2-CD1 3.85Å; Y373-L426 HydrophobicContact CE2-CG 4.4Å; Y373-L426 HydrophobicContact CG-CD1 3.98Å; V415-L426 HydrophobicContact CG1-CD2 4.19Å; V415-L426 HydrophobicContact CG2-CD1 4.28Å; V415-L426 HydrophobicContact CG2-CD2 3.74Å; L418-L426 HydrophobicContact CD2-CB 3.75Å; L418-L426 HydrophobicContact CD2-CD2 3.71Å; L418-L426 HydrophobicContact CD2-CG 4.35Å; F423-L426 HydrophobicContact CD2-CD2 4.49Å; F423-L426 HydrophobicContact CE2-CD2 4.19Å; F423-L426 WeakPolarHBondContact O-CB 3.39Å; F423-L426 PolarHBondContact O-N 3.38Å; P424-L426 VanDerWaalsContact C-N 3.33Å; L426-T428 VanDerWaalsContact C-N 3.34Å; L426-T428 PolarHBondContact O-N 3.28Å; L426-A429 PolarHBondContact O-N 3.45Å; L426-L430 HydrophobicContact CD1-CD1 3.93Å; L426-L430 HydrophobicContact CD1-CD2 4.4Å; L426-L430 HydrophobicContact CD1-CG 3.94Å; L426-L430 HydrophobicContact CD2-CD1 4.41Å; L426-L430 HydrophobicContact CG-CD1 3.83Å; L426-L430 HydrophobicContact CG-CG 4.21Å; L426-L430 WeakPolarHBondContact O-CB 3.34Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.49Å; L426-L430 PolarHBondContact O-N 3.36Å; L426-V448 HydrophobicContact CD1-CG1 4.49Å; L426-V452 HydrophobicContact CD2-CG2 3.87Å |
| 427 | E | 96.5 | Very high | 94.3 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | -176.9 | -66.4 | -171.9 | 125 | 0 | 0 | 112.5 | F423 P424 L430 L431 Y464 | F423-E427 HydrophobicContact CD1-CG 3.96Å; F423-E427 VanDerWaalsContact CE1-CD 3.47Å; F423-E427 HydrophobicContact CE1-CG 3.74Å; F423-E427 WeakPolarHBondContact CE1-OE1 3.5Å; F423-E427 HydrophobicContact CZ-CG 4.42Å; F423-E427 PolarHBondContact O-N 2.96Å; F423-E427 VanDerWaalsContact O-N 3.16Å; P424-E427 PolarHBondContact O-N 2.92Å; E427-L430 PolarHBondContact O-N 2.93Å; E427-L431 WeakPolarHBondContact O-CB 3.41Å; E427-L431 PolarHBondContact O-N 3.37Å; E427-Y464 WeakPolarHBondContact OE1-CE1 3.38Å; E427-Y464 VanDerWaalsContact OE1-CZ 3.29Å; E427-Y464 PolarHBondContact OE1-OH 3.44Å |
| 428 | T | 96.2 | Very high | 94.1 | Very high | 81 Ų | 81 | 51 Ų | 51 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.4 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | P424 Y425 L426 L431 S432 | P424-T428 WeakPolarHBondContact O-CB 3.45Å; P424-T428 WeakPolarHBondContact O-CG2 3.48Å; P424-T428 PolarHBondContact O-N 3.26Å; P424-T428 PolarHBondContact O-OG1 2.88Å; Y425-T428 WeakPolarHBondContact CA-OG1 3.4Å; Y425-T428 PolarHBondContact O-OG1 3.22Å; L426-T428 VanDerWaalsContact C-N 3.34Å; L426-T428 PolarHBondContact O-N 3.28Å; T428-L431 PolarHBondContact O-N 2.94Å; T428-S432 PolarHBondContact O-N 3.02Å; T428-S432 VanDerWaalsContact O-N 3.11Å; T428-S432 PolarHBondContact O-OG 2.85Å |
| 429 | A | 97.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | K374 F377 Y425 L426 L431 S432 S433 | K374-A429 HydrophobicContact CB-CB 4.19Å; F377-A429 HydrophobicContact CD2-CB 4.36Å; Y425-A429 WeakPolarHBondContact O-CB 3.45Å; Y425-A429 PolarHBondContact O-N 3.1Å; L426-A429 PolarHBondContact O-N 3.45Å; A429-L431 VanDerWaalsContact C-N 3.33Å; A429-L431 PolarHBondContact O-N 3.29Å; A429-S432 PolarHBondContact O-N 2.98Å; A429-S432 PolarHBondContact O-OG 3.47Å; A429-S433 WeakPolarHBondContact O-CB 3.16Å; A429-S433 PolarHBondContact O-N 2.91Å; A429-S433 PolarHBondContact O-OG 2.94Å |
| 430 | L | 97.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 176.8 | -70.4 | 177.1 | 0 | 0 | 0 | 111.9 | F377 L426 E427 S433 V434 A445 V448 W449 V452 | F377-L430 HydrophobicContact CE2-CD2 4.12Å; F377-L430 HydrophobicContact CZ-CD2 4.01Å; L426-L430 HydrophobicContact CD1-CD1 3.93Å; L426-L430 HydrophobicContact CD1-CD2 4.4Å; L426-L430 HydrophobicContact CD1-CG 3.94Å; L426-L430 HydrophobicContact CD2-CD1 4.41Å; L426-L430 HydrophobicContact CG-CD1 3.83Å; L426-L430 HydrophobicContact CG-CG 4.21Å; L426-L430 WeakPolarHBondContact O-CB 3.34Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.49Å; L426-L430 PolarHBondContact O-N 3.36Å; E427-L430 PolarHBondContact O-N 2.93Å; L430-S433 PolarHBondContact O-N 3.05Å; L430-V434 WeakPolarHBondContact O-CB 3.31Å; L430-V434 VanDerWaalsContact O-CG2 3.29Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.42Å; L430-A445 HydrophobicContact CD2-CB 4.31Å; L430-V448 HydrophobicContact CD1-CG1 4.37Å; L430-V448 HydrophobicContact CD2-CB 3.88Å; L430-V448 HydrophobicContact CD2-CG1 3.73Å; L430-W449 HydrophobicContact CB-CD2 4.25Å; L430-W449 HydrophobicContact CB-CE3 3.76Å; L430-W449 HydrophobicContact CB-CZ3 4.12Å; L430-W449 HydrophobicContact CD1-CB 4.12Å; L430-W449 HydrophobicContact CD1-CD2 4.34Å; L430-W449 HydrophobicContact CD1-CG 4.13Å; L430-V452 HydrophobicContact CD1-CG2 4.27Å |
| 431 | L | 95.6 | Very high | 93.7 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 39% | 0.387 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 179 | -177.1 | 64.8 | 0 | 0 | 0 | 112 | E427 T428 A429 W449 F500 | E427-L431 WeakPolarHBondContact O-CB 3.41Å; E427-L431 PolarHBondContact O-N 3.37Å; T428-L431 PolarHBondContact O-N 2.94Å; A429-L431 VanDerWaalsContact C-N 3.33Å; A429-L431 PolarHBondContact O-N 3.29Å; L431-W449 HydrophobicContact CB-CH2 4.44Å; L431-W449 HydrophobicContact CD1-CH2 4.14Å; L431-W449 HydrophobicContact CD1-CZ3 4.48Å; L431-F500 HydrophobicContact CD1-CE1 3.8Å; L431-F500 HydrophobicContact CD1-CZ 3.57Å |
| 432 | S | 95.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 42% | 0.42 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -44 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | T428 A429 L435 S436 | T428-S432 PolarHBondContact O-N 3.02Å; T428-S432 VanDerWaalsContact O-N 3.11Å; T428-S432 PolarHBondContact O-OG 2.85Å; A429-S432 PolarHBondContact O-N 2.98Å; A429-S432 PolarHBondContact O-OG 3.47Å; S432-L435 CarbonylContact O-C 3.6Å; S432-L435 WeakPolarHBondContact O-CA 3Å; S432-L435 WeakPolarHBondContact O-CB 3.34Å; S432-L435 PolarHBondContact O-N 3.46Å; S432-S436 PolarHBondContact O-N 3.43Å |
| 433 | S | 96.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.4 | -32.7 | -174.3 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | F377 A429 L430 L435 S436 | F377-S433 WeakPolarHBondContact CB-OG 3.35Å; F377-S433 WeakPolarHBondContact CD2-OG 3.48Å; F377-S433 WeakPolarHBondContact CG-OG 3.16Å; A429-S433 WeakPolarHBondContact O-CB 3.16Å; A429-S433 PolarHBondContact O-N 2.91Å; A429-S433 PolarHBondContact O-OG 2.94Å; L430-S433 PolarHBondContact O-N 3.05Å; S433-L435 PolarHBondContact O-N 2.56Å; S433-S436 WeakPolarHBondContact O-CB 3.45Å; S433-S436 PolarHBondContact O-N 3.43Å; S433-S436 VanDerWaalsContact O-N 3.09Å |
| 434 | V | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -25.4 | 169.7 | 165.6 | 0 | 0 | 0 | 0 | 110.9 | L430 H442 A445 M446 W449 R499 F500 L503 | L430-V434 WeakPolarHBondContact O-CB 3.31Å; L430-V434 VanDerWaalsContact O-CG2 3.29Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.42Å; V434-H442 PolarHBondContact O-CE1 3.07Å; V434-H442 PolarHBondContact O-ND1 3.33Å; V434-A445 HydrophobicContact CG2-CB 3.75Å; V434-M446 HydrophobicContact CG2-CG 4.15Å; V434-W449 HydrophobicContact CB-CZ3 4.4Å; V434-W449 HydrophobicContact CG2-CE3 3.71Å; V434-W449 HydrophobicContact CG2-CZ3 4.03Å; V434-R499 VanDerWaalsContact O-CD 3.23Å; V434-R499 WeakPolarHBondContact O-CD 3.41Å; V434-F500 HydrophobicContact CG1-CD1 4.11Å; V434-F500 HydrophobicContact CG1-CE1 4.01Å; V434-L503 HydrophobicContact CG1-CD2 4.37Å; V434-L503 HydrophobicContact CG2-CD2 4.33Å |
| 435 | L | 92.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.3 | 176.9 | -65.1 | 178.5 | 0 | 0 | 0 | 114.1 | S432 S433 T496 R499 F500 | S432-L435 CarbonylContact O-C 3.6Å; S432-L435 WeakPolarHBondContact O-CA 3Å; S432-L435 WeakPolarHBondContact O-CB 3.34Å; S432-L435 PolarHBondContact O-N 3.46Å; S433-L435 PolarHBondContact O-N 2.56Å; L435-T496 HydrophobicContact CD2-CG2 3.86Å; L435-R499 PolarHBondContact O-NH1 3.13Å; L435-F500 HydrophobicContact CD1-CE2 4.09Å; L435-F500 HydrophobicContact CD1-CZ 3.82Å; L435-F500 HydrophobicContact CD2-CD2 4.22Å; L435-F500 HydrophobicContact CD2-CE1 4.31Å; L435-F500 HydrophobicContact CD2-CE2 3.61Å; L435-F500 HydrophobicContact CD2-CZ 3.65Å; L435-F500 HydrophobicContact CG-CE1 4.49Å; L435-F500 HydrophobicContact CG-CE2 4.19Å; L435-F500 HydrophobicContact CG-CZ 3.79Å |
| 436 | S | 90.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | trans | -57.2 | 142.6 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | E381 S432 S433 H438 R499 | E381-S436 WeakPolarHBondContact OE1-CB 3.39Å; E381-S436 PolarHBondContact OE1-OG 3.04Å; S432-S436 PolarHBondContact O-N 3.43Å; S433-S436 WeakPolarHBondContact O-CB 3.45Å; S433-S436 PolarHBondContact O-N 3.43Å; S433-S436 VanDerWaalsContact O-N 3.09Å; S436-H438 VanDerWaalsContact C-N 3.25Å; S436-H438 PolarHBondContact OG-N 3.12Å; S436-H438 VanDerWaalsContact OG-N 3.13Å; S436-R499 PolarHBondContact O-NE 3.01Å; S436-R499 PolarHBondContact O-NH1 3.09Å; S436-R499 PolarHBondContact O-NH2 2.64Å; S436-R499 VanDerWaalsContact O-NH2 3.13Å | ||
| 437 | E | 87.1 | Confident | 93.7 | Very high | 169 Ų | 169 | 38.3 Ų | 38.3 | 79% | 0.79 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -73.5 | -20 | 171.1 | -65.7 | -172.8 | 173.4 | 0 | 0 | 113 | ||
| 438 | H | 87.8 | Confident | 93.8 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -75.8 | 122.4 | -178.6 | -167.7 | -105.6 | 0 | 0 | 0 | 111.3 | C380 E381 I383 S436 L440 V441 H442 | C380-H438 PolarHBondContact O-CE1 3.16Å; C380-H438 PolarHBondContact O-ND1 2.9Å; E381-H438 HydrophobicContact CB-CB 4.39Å; E381-H438 HydrophobicContact CG-CB 4Å; I383-H438 PolarHBondContact O-NE2 3.44Å; I383-H438 VanDerWaalsContact O-NE2 3.11Å; S436-H438 VanDerWaalsContact C-N 3.25Å; S436-H438 PolarHBondContact OG-N 3.12Å; S436-H438 VanDerWaalsContact OG-N 3.13Å; H438-L440 PolarHBondContact O-N 3.01Å; H438-V441 HydrophobicContact CB-CB 4.13Å; H438-V441 HydrophobicContact CB-CG2 4.02Å; H438-V441 WeakPolarHBondContact ND1-CG2 2.85Å; H438-V441 PolarHBondContact O-N 2.98Å; H438-H442 WeakPolarHBondContact O-CB 3.41Å; H438-H442 PolarHBondContact O-N 2.9Å |
| 439 | P | 85.3 | Confident | 93.9 | Very high | 86 Ų | 86 | 32 Ų | 32 | 56% | 0.558 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -64.8 | -36.1 | -169.9 | 23.5 | -33.2 | 0 | 0 | 0 | 113.5 | L385 L443 | L385-P439 HydrophobicContact CD1-CG 3.83Å; P439-L443 VanDerWaalsContact O-CB 3.3Å; P439-L443 WeakPolarHBondContact O-CB 3.44Å; P439-L443 PolarHBondContact O-N 3.29Å; P439-L443 VanDerWaalsContact O-N 3.13Å |
| 440 | L | 88.2 | Confident | 93.8 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 176.6 | 172.6 | 153 | 0 | 0 | 0 | 111.6 | C380 L385 F403 Y404 H438 L443 L444 | C380-L440 HydrophobicContact CB-CD2 3.73Å; L385-L440 HydrophobicContact CD1-CB 3.84Å; L385-L440 HydrophobicContact CD2-CD1 4.15Å; F403-L440 HydrophobicContact CD1-CD1 4.38Å; F403-L440 HydrophobicContact CE1-CD1 4.25Å; Y404-L440 HydrophobicContact CD2-CG 4.44Å; H438-L440 PolarHBondContact O-N 3.01Å; L440-L443 PolarHBondContact O-N 3.08Å; L440-L444 WeakPolarHBondContact O-CB 3.08Å; L440-L444 PolarHBondContact O-N 3.37Å |
| 441 | V | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.3 | -47.5 | -175.7 | 172 | 0 | 0 | 0 | 0 | 110.1 | F377 C380 E381 H438 L443 L444 A445 | F377-V441 HydrophobicContact CB-CG1 4.13Å; F377-V441 HydrophobicContact CD1-CG1 4.06Å; F377-V441 HydrophobicContact CG-CG1 4.46Å; C380-V441 HydrophobicContact CB-CG2 3.47Å; C380-V441 VanDerWaalsContact CB-CG2 3.47Å; E381-V441 HydrophobicContact CB-CG2 4.33Å; E381-V441 HydrophobicContact CG-CB 4.15Å; E381-V441 HydrophobicContact CG-CG1 4.13Å; E381-V441 HydrophobicContact CG-CG2 3.54Å; H438-V441 HydrophobicContact CB-CB 4.13Å; H438-V441 HydrophobicContact CB-CG2 4.02Å; H438-V441 WeakPolarHBondContact ND1-CG2 2.85Å; H438-V441 PolarHBondContact O-N 2.98Å; V441-L443 PolarHBondContact O-N 3.17Å; V441-L444 PolarHBondContact O-N 2.97Å; V441-A445 VanDerWaalsContact O-CB 3.27Å; V441-A445 WeakPolarHBondContact O-CB 3.39Å; V441-A445 PolarHBondContact O-N 3.35Å |
| 442 | H | 91.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.7 | -50.3 | 174.8 | 171.3 | 64.9 | 0 | 0 | 0 | 112.2 | V434 H438 M446 R499 | V434-H442 PolarHBondContact O-CE1 3.07Å; V434-H442 PolarHBondContact O-ND1 3.33Å; H438-H442 WeakPolarHBondContact O-CB 3.41Å; H438-H442 PolarHBondContact O-N 2.9Å; H442-M446 WeakPolarHBondContact CE1-CE 3.29Å; H442-M446 VanDerWaalsContact CE1-SD 3.57Å; H442-M446 WeakPolarHBondContact NE2-CE 3.42Å; H442-M446 PolarHBondContact NE2-SD 3.38Å; H442-M446 VanDerWaalsContact NE2-SD 3.41Å; H442-M446 WeakPolarHBondContact O-CG 3.42Å; H442-M446 PolarHBondContact O-N 3.04Å; H442-R499 WeakPolarHBondContact CE1-CG 3.31Å |
| 443 | L | 92.2 | Very high | 93.9 | Very high | 79 Ų | 79 | 29.1 Ų | 29.1 | 41% | 0.414 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.6 | -44 | -178.2 | -174.8 | 64.7 | 0 | 0 | 0 | 111.9 | Y404 P439 L440 V441 A445 M446 D447 | Y404-L443 HydrophobicContact CE2-CD2 4.37Å; Y404-L443 HydrophobicContact CE2-CG 4.44Å; Y404-L443 PolarHBondContact OH-O 3.45Å; P439-L443 VanDerWaalsContact O-CB 3.3Å; P439-L443 WeakPolarHBondContact O-CB 3.44Å; P439-L443 PolarHBondContact O-N 3.29Å; P439-L443 VanDerWaalsContact O-N 3.13Å; L440-L443 PolarHBondContact O-N 3.08Å; V441-L443 PolarHBondContact O-N 3.17Å; L443-A445 PolarHBondContact O-N 3.21Å; L443-M446 WeakPolarHBondContact O-CB 3.35Å; L443-M446 PolarHBondContact O-N 3.21Å; L443-D447 PolarHBondContact O-N 3.45Å |
| 444 | L | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 178 | -175.1 | 65.2 | 0 | 0 | 0 | 111 | F377 Y404 L407 L408 I411 L440 V441 M446 D447 V448 | F377-L444 HydrophobicContact CD1-CD2 4.37Å; F377-L444 HydrophobicContact CE1-CB 4.3Å; F377-L444 HydrophobicContact CE1-CD2 3.93Å; F377-L444 HydrophobicContact CE1-CG 3.99Å; Y404-L444 HydrophobicContact CD2-CD1 4.33Å; Y404-L444 HydrophobicContact CE2-CB 3.9Å; Y404-L444 HydrophobicContact CE2-CD1 3.9Å; L407-L444 HydrophobicContact CD2-CD2 3.74Å; L407-L444 HydrophobicContact CG-CD2 4.17Å; L408-L444 HydrophobicContact CB-CD1 3.75Å; L408-L444 HydrophobicContact CD1-CD1 4.01Å; L408-L444 HydrophobicContact CG-CD1 4.42Å; I411-L444 HydrophobicContact CD1-CD1 4.46Å; I411-L444 HydrophobicContact CD1-CD2 3.95Å; I411-L444 HydrophobicContact CD1-CG 4.25Å; L440-L444 WeakPolarHBondContact O-CB 3.08Å; L440-L444 PolarHBondContact O-N 3.37Å; V441-L444 PolarHBondContact O-N 2.97Å; L444-M446 PolarHBondContact O-N 2.83Å; L444-D447 PolarHBondContact O-N 3.5Å; L444-V448 VanDerWaalsContact O-CG2 3.28Å; L444-V448 WeakPolarHBondContact O-CG2 3.31Å; L444-V448 PolarHBondContact O-N 3.37Å |
| 445 | A | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F377 L430 V434 V441 L443 D447 V448 W449 | F377-A445 HydrophobicContact CE1-CB 3.98Å; F377-A445 HydrophobicContact CZ-CB 4.08Å; L430-A445 HydrophobicContact CD2-CB 4.31Å; V434-A445 HydrophobicContact CG2-CB 3.75Å; V441-A445 VanDerWaalsContact O-CB 3.27Å; V441-A445 WeakPolarHBondContact O-CB 3.39Å; V441-A445 PolarHBondContact O-N 3.35Å; L443-A445 PolarHBondContact O-N 3.21Å; A445-D447 PolarHBondContact O-N 2.84Å; A445-V448 PolarHBondContact O-N 3.01Å; A445-W449 WeakPolarHBondContact O-CB 3.38Å; A445-W449 PolarHBondContact O-N 2.71Å |
| 446 | M | 96.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 173.4 | -77.9 | -175.7 | 159.5 | 0 | 0 | 112.9 | V434 H442 L443 L444 W449 C450 R499 H502 L503 | V434-M446 HydrophobicContact CG2-CG 4.15Å; H442-M446 WeakPolarHBondContact CE1-CE 3.29Å; H442-M446 VanDerWaalsContact CE1-SD 3.57Å; H442-M446 WeakPolarHBondContact NE2-CE 3.42Å; H442-M446 PolarHBondContact NE2-SD 3.38Å; H442-M446 VanDerWaalsContact NE2-SD 3.41Å; H442-M446 WeakPolarHBondContact O-CG 3.42Å; H442-M446 PolarHBondContact O-N 3.04Å; L443-M446 WeakPolarHBondContact O-CB 3.35Å; L443-M446 PolarHBondContact O-N 3.21Å; L444-M446 PolarHBondContact O-N 2.83Å; M446-W449 PolarHBondContact O-N 3.45Å; M446-C450 WeakPolarHBondContact O-CB 3.18Å; M446-C450 PolarHBondContact O-N 3.31Å; M446-C450 PolarHBondContact O-SG 2.87Å; M446-R499 WeakPolarHBondContact CE-O 3.28Å; M446-H502 HydrophobicContact CE-CB 3.84Å; M446-L503 HydrophobicContact CB-CD1 4.44Å; M446-L503 HydrophobicContact CE-CB 3.94Å; M446-L503 HydrophobicContact CG-CB 4.46Å; M446-L503 HydrophobicContact CG-CD1 4.37Å |
| 447 | D | 97.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 179.6 | -79.2 | 0.6 | 0 | 0 | 0 | 111.4 | Y404 L408 L443 L444 A445 C450 F451 R506 | Y404-D447 PolarHBondContact OH-OD2 3.11Å; L408-D447 HydrophobicContact CD1-CB 3.86Å; L408-D447 HydrophobicContact CD2-CB 4.15Å; L443-D447 PolarHBondContact O-N 3.45Å; L444-D447 PolarHBondContact O-N 3.5Å; A445-D447 PolarHBondContact O-N 2.84Å; D447-C450 WeakPolarHBondContact O-CB 3.44Å; D447-C450 PolarHBondContact O-N 3.29Å; D447-F451 PolarHBondContact O-N 3.42Å; D447-R506 IonicContact OD1-CZ 2.86Å; D447-R506 IonicContact OD1-NH1 3.96Å; D447-R506 PolarHBondContact OD1-NH1 2.9Å; D447-R506 IonicContact OD1-NH2 3.21Å; D447-R506 PolarHBondContact OD1-NH2 3.48Å |
| 448 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 173.9 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | L408 I411 V415 L426 L430 L444 A445 C450 F451 V452 | L408-V448 HydrophobicContact CD1-CG2 3.66Å; I411-V448 HydrophobicContact CB-CG2 4.12Å; I411-V448 HydrophobicContact CD1-CG2 4.26Å; I411-V448 HydrophobicContact CG2-CB 4.31Å; I411-V448 HydrophobicContact CG2-CG1 3.66Å; I411-V448 HydrophobicContact CG2-CG2 3.59Å; V415-V448 HydrophobicContact CG2-CG1 4.38Å; L426-V448 HydrophobicContact CD1-CG1 4.49Å; L430-V448 HydrophobicContact CD1-CG1 4.37Å; L430-V448 HydrophobicContact CD2-CB 3.88Å; L430-V448 HydrophobicContact CD2-CG1 3.73Å; L444-V448 VanDerWaalsContact O-CG2 3.28Å; L444-V448 WeakPolarHBondContact O-CG2 3.31Å; L444-V448 PolarHBondContact O-N 3.37Å; A445-V448 PolarHBondContact O-N 3.01Å; V448-C450 VanDerWaalsContact C-N 3.32Å; V448-C450 PolarHBondContact O-N 3.37Å; V448-F451 CarbonylContact O-C 3.53Å; V448-F451 WeakPolarHBondContact O-CA 3.47Å; V448-F451 WeakPolarHBondContact O-CB 3.47Å; V448-F451 PolarHBondContact O-N 3.09Å; V448-V452 HydrophobicContact CG1-CG2 4.38Å; V448-V452 VanDerWaalsContact O-CG2 3.3Å; V448-V452 WeakPolarHBondContact O-CG2 3.43Å; V448-V452 PolarHBondContact O-N 3.17Å |
| 449 | W | 97.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 3% | 0.034 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 178.4 | -156.3 | -24.3 | 0 | 0 | 0 | 111.8 | L430 L431 V434 A445 M446 F451 V452 A453 Y464 L503 | L430-W449 HydrophobicContact CB-CD2 4.25Å; L430-W449 HydrophobicContact CB-CE3 3.76Å; L430-W449 HydrophobicContact CB-CZ3 4.12Å; L430-W449 HydrophobicContact CD1-CB 4.12Å; L430-W449 HydrophobicContact CD1-CD2 4.34Å; L430-W449 HydrophobicContact CD1-CG 4.13Å; L431-W449 HydrophobicContact CB-CH2 4.44Å; L431-W449 HydrophobicContact CD1-CH2 4.14Å; L431-W449 HydrophobicContact CD1-CZ3 4.48Å; V434-W449 HydrophobicContact CB-CZ3 4.4Å; V434-W449 HydrophobicContact CG2-CE3 3.71Å; V434-W449 HydrophobicContact CG2-CZ3 4.03Å; A445-W449 WeakPolarHBondContact O-CB 3.38Å; A445-W449 PolarHBondContact O-N 2.71Å; M446-W449 PolarHBondContact O-N 3.45Å; W449-F451 VanDerWaalsContact C-N 3.3Å; W449-F451 PolarHBondContact O-N 3.41Å; W449-V452 PolarHBondContact O-N 2.99Å; W449-A453 WeakPolarHBondContact O-CB 3.01Å; W449-A453 PolarHBondContact O-N 2.94Å; W449-Y464 AromaticContact CD1-CD2 3.92Å; W449-Y464 AromaticContact CD1-CE2 3.95Å; W449-Y464 HydrophobicContact CZ2-CD1 4.39Å; W449-Y464 AromaticContact NE1-CD1 3.77Å; W449-Y464 AromaticContact NE1-CD2 3.42Å; W449-Y464 AromaticContact NE1-CE1 3.9Å; W449-Y464 AromaticContact NE1-CE2 3.53Å; W449-Y464 AromaticContact NE1-CG 3.55Å; W449-Y464 AromaticContact NE1-CZ 3.78Å; W449-L503 HydrophobicContact CB-CD1 4.25Å; W449-L503 HydrophobicContact CD2-CD2 3.75Å; W449-L503 HydrophobicContact CE3-CD2 3.53Å; W449-L503 HydrophobicContact CG-CD1 4.48Å; W449-L503 HydrophobicContact CG-CD2 4.24Å; W449-L503 HydrophobicContact CZ3-CD2 3.94Å |
| 450 | C | 97.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 171.6 | -74.9 | 0 | 0 | 0 | 0 | 112.1 | M446 D447 V448 R454 R506 F510 | M446-C450 WeakPolarHBondContact O-CB 3.18Å; M446-C450 PolarHBondContact O-N 3.31Å; M446-C450 PolarHBondContact O-SG 2.87Å; D447-C450 WeakPolarHBondContact O-CB 3.44Å; D447-C450 PolarHBondContact O-N 3.29Å; V448-C450 VanDerWaalsContact C-N 3.32Å; V448-C450 PolarHBondContact O-N 3.37Å; C450-R454 WeakPolarHBondContact O-CB 3.47Å; C450-R454 PolarHBondContact O-N 2.84Å; C450-R454 VanDerWaalsContact O-N 3.13Å; C450-R506 VanDerWaalsContact SG-CZ 3.54Å; C450-R506 PolarHBondContact SG-NE 3.11Å; C450-R506 PolarHBondContact SG-NH2 2.73Å; C450-R506 VanDerWaalsContact SG-NH2 3.44Å; C450-F510 HydrophobicContact CB-CE2 3.76Å; C450-F510 HydrophobicContact CB-CZ 4.2Å |
| 451 | F | 97.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -48.9 | 173.8 | 174.9 | -93.5 | 0 | 0 | 0 | 111.3 | C412 V415 D447 V448 W449 A453 R454 Y455 | C412-F451 HydrophobicContact CB-CD1 3.71Å; C412-F451 HydrophobicContact CB-CD2 4.07Å; C412-F451 HydrophobicContact CB-CE1 3.69Å; C412-F451 HydrophobicContact CB-CE2 4.04Å; C412-F451 HydrophobicContact CB-CG 3.91Å; C412-F451 HydrophobicContact CB-CZ 3.85Å; C412-F451 WeakPolarHBondContact O-CE1 3.48Å; C412-F451 VanDerWaalsContact SG-CG 3.52Å; V415-F451 HydrophobicContact CB-CD1 4.43Å; V415-F451 HydrophobicContact CB-CE1 4.14Å; V415-F451 HydrophobicContact CG1-CD1 4.36Å; V415-F451 HydrophobicContact CG1-CE1 4.18Å; D447-F451 PolarHBondContact O-N 3.42Å; V448-F451 CarbonylContact O-C 3.53Å; V448-F451 WeakPolarHBondContact O-CA 3.47Å; V448-F451 WeakPolarHBondContact O-CB 3.47Å; V448-F451 PolarHBondContact O-N 3.09Å; W449-F451 VanDerWaalsContact C-N 3.3Å; W449-F451 PolarHBondContact O-N 3.41Å; F451-A453 VanDerWaalsContact C-N 3.3Å; F451-A453 PolarHBondContact O-N 3.45Å; F451-R454 PolarHBondContact O-N 2.92Å; F451-Y455 HydrophobicContact CE1-CG 4.19Å; F451-Y455 HydrophobicContact CZ-CD2 4.07Å; F451-Y455 HydrophobicContact CZ-CG 4.06Å; F451-Y455 VanDerWaalsContact O-CB 3.31Å; F451-Y455 WeakPolarHBondContact O-CB 3.5Å; F451-Y455 PolarHBondContact O-N 3.24Å |
| 452 | V | 97 | Very high | 95.4 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.1 | -48 | 177 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | V415 F423 L426 L430 V448 W449 R454 Y455 G456 L460 Y464 | V415-V452 HydrophobicContact CG1-CG2 3.79Å; V415-V452 HydrophobicContact CG2-CG2 4.31Å; F423-V452 HydrophobicContact CE2-CG1 4.1Å; F423-V452 HydrophobicContact CZ-CG1 3.79Å; L426-V452 HydrophobicContact CD2-CG2 3.87Å; L430-V452 HydrophobicContact CD1-CG2 4.27Å; V448-V452 HydrophobicContact CG1-CG2 4.38Å; V448-V452 VanDerWaalsContact O-CG2 3.3Å; V448-V452 WeakPolarHBondContact O-CG2 3.43Å; V448-V452 PolarHBondContact O-N 3.17Å; W449-V452 PolarHBondContact O-N 2.99Å; V452-R454 VanDerWaalsContact C-N 3.27Å; V452-R454 PolarHBondContact O-N 2.67Å; V452-Y455 PolarHBondContact O-N 3.03Å; V452-G456 WeakPolarHBondContact O-CA 3.08Å; V452-G456 PolarHBondContact O-N 3.08Å; V452-L460 HydrophobicContact CG1-CD2 4.2Å; V452-Y464 HydrophobicContact CG1-CE2 3.97Å |
| 453 | A | 96.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -28.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W449 F451 C461 Y464 L507 F510 | W449-A453 WeakPolarHBondContact O-CB 3.01Å; W449-A453 PolarHBondContact O-N 2.94Å; F451-A453 VanDerWaalsContact C-N 3.3Å; F451-A453 PolarHBondContact O-N 3.45Å; A453-C461 HydrophobicContact CB-CB 4.35Å; A453-Y464 HydrophobicContact CB-CD2 4.26Å; A453-L507 HydrophobicContact CB-CD2 3.41Å; A453-L507 VanDerWaalsContact CB-CD2 3.41Å; A453-F510 HydrophobicContact CB-CD2 4.35Å |
| 454 | R | 93.8 | Very high | 95.8 | Very high | 196 Ų | 196 | 44.3 Ų | 44.3 | 74% | 0.74 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -86.7 | -34.6 | 179.6 | -175.3 | 177.3 | 179.5 | -169.4 | -1 | 113 | C450 F451 V452 | C450-R454 WeakPolarHBondContact O-CB 3.47Å; C450-R454 PolarHBondContact O-N 2.84Å; C450-R454 VanDerWaalsContact O-N 3.13Å; F451-R454 PolarHBondContact O-N 2.92Å; V452-R454 VanDerWaalsContact C-N 3.27Å; V452-R454 PolarHBondContact O-N 2.67Å |
| 455 | Y | 94.2 | Very high | 95.8 | Very high | 138 Ų | 138 | 44.3 Ų | 44.3 | 54% | 0.541 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -79.3 | -37 | 178.9 | -177.3 | -99.5 | 0 | 0 | 0 | 111.5 | C416 F451 V452 | C416-Y455 HydrophobicContact CB-CE1 4.16Å; C416-Y455 HydrophobicContact CB-CE2 4.48Å; F451-Y455 HydrophobicContact CE1-CG 4.19Å; F451-Y455 HydrophobicContact CZ-CD2 4.07Å; F451-Y455 HydrophobicContact CZ-CG 4.06Å; F451-Y455 VanDerWaalsContact O-CB 3.31Å; F451-Y455 WeakPolarHBondContact O-CB 3.5Å; F451-Y455 PolarHBondContact O-N 3.24Å; V452-Y455 PolarHBondContact O-N 3.03Å |
| 456 | G | 91.5 | Very high | 95.7 | Very high | 32 Ų | 32 | 47 Ų | 47 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -72.3 | -172.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V452 | V452-G456 WeakPolarHBondContact O-CA 3.08Å; V452-G456 PolarHBondContact O-N 3.08Å |
| 457 | T | 92.8 | Very high | 95.5 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 55% | 0.546 | 26% | 0.258 | S | S | . | . | trans | -72.9 | 155.5 | -179.3 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | D459 L460 C461 | T457-D459 PolarHBondContact O-N 3.46Å; T457-L460 WeakPolarHBondContact O-CB 3.2Å; T457-L460 PolarHBondContact O-N 2.97Å; T457-L460 VanDerWaalsContact O-N 3.11Å; T457-L460 PolarHBondContact OG1-N 3.44Å; T457-L460 VanDerWaalsContact OG1-N 3.1Å; T457-C461 PolarHBondContact O-N 2.86Å; T457-C461 VanDerWaalsContact O-N 3.11Å | ||
| 458 | G | 93 | Very high | 95.3 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -26.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | L462 Q515 | G458-L462 WeakPolarHBondContact O-CB 3.2Å; G458-L462 PolarHBondContact O-N 3Å; G458-Q515 PolarHBondContact O-NE2 3.28Å |
| 459 | D | 94.8 | Very high | 95.1 | Very high | 117 Ų | 117 | 48.6 Ų | 48.6 | 63% | 0.626 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -73.5 | -38.3 | 175.3 | -63 | -38.5 | 0 | 0 | 0 | 112 | T457 C461 L462 H463 | T457-D459 PolarHBondContact O-N 3.46Å; D459-C461 VanDerWaalsContact C-N 3.34Å; D459-L462 PolarHBondContact O-N 3.24Å; D459-H463 WeakPolarHBondContact O-CB 3.28Å; D459-H463 PolarHBondContact O-N 3.31Å |
| 460 | L | 94.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 20% | 0.204 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 172.5 | -178.1 | 66 | 0 | 0 | 0 | 110.9 | F423 V452 T457 L462 H463 Y464 | F423-L460 HydrophobicContact CE1-CD1 4.43Å; F423-L460 HydrophobicContact CZ-CD2 4.06Å; V452-L460 HydrophobicContact CG1-CD2 4.2Å; T457-L460 WeakPolarHBondContact O-CB 3.2Å; T457-L460 PolarHBondContact O-N 2.97Å; T457-L460 VanDerWaalsContact O-N 3.11Å; T457-L460 PolarHBondContact OG1-N 3.44Å; T457-L460 VanDerWaalsContact OG1-N 3.1Å; L460-L462 PolarHBondContact O-N 3.44Å; L460-H463 WeakPolarHBondContact O-CB 3.49Å; L460-H463 PolarHBondContact O-N 3.44Å; L460-Y464 HydrophobicContact CD1-CE1 4.17Å; L460-Y464 HydrophobicContact CD1-CE2 3.91Å; L460-Y464 HydrophobicContact CD2-CE2 4.05Å; L460-Y464 HydrophobicContact CG-CD2 4.23Å; L460-Y464 HydrophobicContact CG-CE2 3.67Å; L460-Y464 PolarHBondContact O-N 2.97Å |
| 461 | C | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 175 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | A453 T457 D459 H463 Y464 V465 L511 | A453-C461 HydrophobicContact CB-CB 4.35Å; T457-C461 PolarHBondContact O-N 2.86Å; T457-C461 VanDerWaalsContact O-N 3.11Å; D459-C461 VanDerWaalsContact C-N 3.34Å; C461-H463 VanDerWaalsContact C-N 3.31Å; C461-H463 PolarHBondContact O-N 2.99Å; C461-Y464 PolarHBondContact O-N 3.38Å; C461-V465 WeakPolarHBondContact O-CG2 3.13Å; C461-V465 PolarHBondContact O-N 2.87Å; C461-L511 HydrophobicContact CB-CD2 4.5Å |
| 462 | L | 96.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 51 Ų | 51 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 175.5 | -179.3 | 64.9 | 0 | 0 | 0 | 112.1 | G458 D459 L460 V465 T466 L511 Q515 | G458-L462 WeakPolarHBondContact O-CB 3.2Å; G458-L462 PolarHBondContact O-N 3Å; D459-L462 PolarHBondContact O-N 3.24Å; L460-L462 PolarHBondContact O-N 3.44Å; L462-V465 PolarHBondContact O-N 2.98Å; L462-T466 WeakPolarHBondContact O-CB 3.36Å; L462-T466 PolarHBondContact O-N 3.35Å; L462-T466 PolarHBondContact O-OG1 2.83Å; L462-L511 HydrophobicContact CB-CD2 4.1Å; L462-L511 HydrophobicContact CD1-CD2 4.12Å; L462-Q515 HydrophobicContact CD1-CB 4.46Å; L462-Q515 HydrophobicContact CD2-CG 4.29Å |
| 463 | H | 95.5 | Very high | 93.4 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 175.1 | 179.7 | 79.1 | 0 | 0 | 0 | 111.1 | D459 L460 C461 V465 T466 L467 | D459-H463 WeakPolarHBondContact O-CB 3.28Å; D459-H463 PolarHBondContact O-N 3.31Å; L460-H463 WeakPolarHBondContact O-CB 3.49Å; L460-H463 PolarHBondContact O-N 3.44Å; C461-H463 VanDerWaalsContact C-N 3.31Å; C461-H463 PolarHBondContact O-N 2.99Å; H463-V465 PolarHBondContact O-N 3.39Å; H463-T466 PolarHBondContact O-N 3.05Å; H463-L467 WeakPolarHBondContact O-CB 3.22Å; H463-L467 PolarHBondContact O-N 3.36Å |
| 464 | Y | 96.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 177 | -68.1 | -32.3 | 0 | 0 | 0 | 113.4 | F423 E427 W449 V452 A453 L460 C461 T466 L467 L468 | F423-Y464 VanDerWaalsContact CE1-OH 3.25Å; F423-Y464 WeakPolarHBondContact CE1-OH 3.47Å; F423-Y464 VanDerWaalsContact CZ-OH 3.25Å; F423-Y464 WeakPolarHBondContact CZ-OH 3.38Å; E427-Y464 WeakPolarHBondContact OE1-CE1 3.38Å; E427-Y464 VanDerWaalsContact OE1-CZ 3.29Å; E427-Y464 PolarHBondContact OE1-OH 3.44Å; W449-Y464 AromaticContact CD1-CD2 3.92Å; W449-Y464 AromaticContact CD1-CE2 3.95Å; W449-Y464 HydrophobicContact CZ2-CD1 4.39Å; W449-Y464 AromaticContact NE1-CD1 3.77Å; W449-Y464 AromaticContact NE1-CD2 3.42Å; W449-Y464 AromaticContact NE1-CE1 3.9Å; W449-Y464 AromaticContact NE1-CE2 3.53Å; W449-Y464 AromaticContact NE1-CG 3.55Å; W449-Y464 AromaticContact NE1-CZ 3.78Å; V452-Y464 HydrophobicContact CG1-CE2 3.97Å; A453-Y464 HydrophobicContact CB-CD2 4.26Å; L460-Y464 HydrophobicContact CD1-CE1 4.17Å; L460-Y464 HydrophobicContact CD1-CE2 3.91Å; L460-Y464 HydrophobicContact CD2-CE2 4.05Å; L460-Y464 HydrophobicContact CG-CD2 4.23Å; L460-Y464 HydrophobicContact CG-CE2 3.67Å; L460-Y464 PolarHBondContact O-N 2.97Å; C461-Y464 PolarHBondContact O-N 3.38Å; Y464-T466 VanDerWaalsContact C-N 3.3Å; Y464-T466 PolarHBondContact O-N 2.87Å; Y464-L467 PolarHBondContact O-N 3.11Å; Y464-L468 WeakPolarHBondContact O-CB 3.37Å; Y464-L468 VanDerWaalsContact O-CG 3.28Å; Y464-L468 WeakPolarHBondContact O-CG 3.31Å; Y464-L468 PolarHBondContact O-N 3.37Å |
| 465 | V | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 175.6 | 167.7 | 0 | 0 | 0 | 0 | 110.1 | C461 L462 H463 T469 L504 L507 I508 L511 Y519 | C461-V465 WeakPolarHBondContact O-CG2 3.13Å; C461-V465 PolarHBondContact O-N 2.87Å; L462-V465 PolarHBondContact O-N 2.98Å; H463-V465 PolarHBondContact O-N 3.39Å; V465-T469 VanDerWaalsContact O-CB 3.24Å; V465-T469 WeakPolarHBondContact O-CB 3.27Å; V465-T469 PolarHBondContact O-N 2.65Å; V465-T469 PolarHBondContact O-OG1 2.82Å; V465-L504 HydrophobicContact CB-CD1 4.28Å; V465-L504 HydrophobicContact CG1-CD1 3.84Å; V465-L504 HydrophobicContact CG2-CD1 4.37Å; V465-L507 HydrophobicContact CG2-CB 3.81Å; V465-I508 HydrophobicContact CG1-CG1 4.18Å; V465-L511 HydrophobicContact CB-CD1 4.46Å; V465-L511 HydrophobicContact CB-CD2 4.45Å; V465-L511 HydrophobicContact CG1-CD1 4.1Å; V465-L511 HydrophobicContact CG2-CD1 4.23Å; V465-L511 HydrophobicContact CG2-CD2 4.05Å; V465-L511 HydrophobicContact CG2-CG 4.14Å; V465-Y519 HydrophobicContact CG1-CD2 3.64Å; V465-Y519 HydrophobicContact CG1-CE2 3.38Å; V465-Y519 HydrophobicContact CG1-CG 4.35Å |
| 466 | T | 94.3 | Very high | 91.4 | Very high | 55 Ų | 55 | 43 Ų | 43 | 34% | 0.337 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -45.3 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | L462 H463 Y464 T469 N470 | L462-T466 WeakPolarHBondContact O-CB 3.36Å; L462-T466 PolarHBondContact O-N 3.35Å; L462-T466 PolarHBondContact O-OG1 2.83Å; H463-T466 PolarHBondContact O-N 3.05Å; Y464-T466 VanDerWaalsContact C-N 3.3Å; Y464-T466 PolarHBondContact O-N 2.87Å; T466-T469 PolarHBondContact O-N 3.3Å; T466-N470 VanDerWaalsContact O-CG 3.25Å; T466-N470 PolarHBondContact O-N 3.47Å; T466-N470 PolarHBondContact O-ND2 3.29Å |
| 467 | L | 93.9 | Very high | 90.6 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 38% | 0.382 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -51.7 | 177.8 | 177.7 | 64 | 0 | 0 | 0 | 111.4 | H463 Y464 T469 N470 I471 | H463-L467 WeakPolarHBondContact O-CB 3.22Å; H463-L467 PolarHBondContact O-N 3.36Å; Y464-L467 PolarHBondContact O-N 3.11Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.1Å; L467-N470 WeakPolarHBondContact O-CB 3.35Å; L467-N470 PolarHBondContact O-N 2.98Å; L467-I471 HydrophobicContact CD1-CD1 4.18Å; L467-I471 HydrophobicContact CG-CD1 3.98Å; L467-I471 WeakPolarHBondContact O-CG1 3.4Å; L467-I471 PolarHBondContact O-N 2.9Å |
| 468 | L | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 179.9 | -70.2 | 172.2 | 0 | 0 | 0 | 111.9 | Y464 N470 I471 V472 F500 L503 L504 L507 | Y464-L468 WeakPolarHBondContact O-CB 3.37Å; Y464-L468 VanDerWaalsContact O-CG 3.28Å; Y464-L468 WeakPolarHBondContact O-CG 3.31Å; Y464-L468 PolarHBondContact O-N 3.37Å; L468-N470 VanDerWaalsContact C-N 3.31Å; L468-N470 PolarHBondContact O-N 2.86Å; L468-I471 HydrophobicContact CD2-CD1 4.45Å; L468-I471 PolarHBondContact O-N 3.36Å; L468-V472 WeakPolarHBondContact O-CB 3.4Å; L468-V472 WeakPolarHBondContact O-CG2 3.43Å; L468-V472 PolarHBondContact O-N 3.15Å; L468-F500 HydrophobicContact CD2-CB 4.48Å; L468-F500 HydrophobicContact CD2-CD1 3.5Å; L468-F500 VanDerWaalsContact CD2-CD1 3.5Å; L468-F500 HydrophobicContact CD2-CE1 3.97Å; L468-F500 HydrophobicContact CD2-CG 4.17Å; L468-L503 HydrophobicContact CD1-CD2 3.81Å; L468-L503 HydrophobicContact CD1-CG 3.94Å; L468-L503 HydrophobicContact CD2-CD2 4.43Å; L468-L504 HydrophobicContact CB-CB 4.43Å; L468-L504 HydrophobicContact CB-CD1 4.24Å; L468-L507 HydrophobicContact CD1-CD1 3.46Å; L468-L507 VanDerWaalsContact CD1-CD1 3.46Å |
| 469 | T | 92.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 173.5 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | V465 T466 L467 I471 V472 N473 Y519 N523 I545 | V465-T469 VanDerWaalsContact O-CB 3.24Å; V465-T469 WeakPolarHBondContact O-CB 3.27Å; V465-T469 PolarHBondContact O-N 2.65Å; V465-T469 PolarHBondContact O-OG1 2.82Å; T466-T469 PolarHBondContact O-N 3.3Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.1Å; T469-I471 PolarHBondContact O-N 3.46Å; T469-V472 PolarHBondContact O-N 3.25Å; T469-N473 WeakPolarHBondContact O-CB 3.26Å; T469-N473 PolarHBondContact O-N 3.41Å; T469-N473 PolarHBondContact O-ND2 2.91Å; T469-Y519 HydrophobicContact CG2-CE2 4.19Å; T469-Y519 WeakPolarHBondContact OG1-CE2 3.47Å; T469-Y519 PolarHBondContact OG1-OH 2.93Å; T469-Y519 VanDerWaalsContact OG1-OH 3.04Å; T469-N523 WeakPolarHBondContact CG2-OD1 3.39Å; T469-I545 HydrophobicContact CG2-CD1 4.16Å; T469-I545 HydrophobicContact CG2-CG2 4.01Å |
| 470 | N | 91.3 | Very high | 87.2 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.8 | -71.3 | -28.6 | 0 | 0 | 0 | 112.3 | T466 L467 L468 K474 | T466-N470 VanDerWaalsContact O-CG 3.25Å; T466-N470 PolarHBondContact O-N 3.47Å; T466-N470 PolarHBondContact O-ND2 3.29Å; L467-N470 WeakPolarHBondContact O-CB 3.35Å; L467-N470 PolarHBondContact O-N 2.98Å; L468-N470 VanDerWaalsContact C-N 3.31Å; L468-N470 PolarHBondContact O-N 2.86Å; N470-K474 WeakPolarHBondContact O-CB 3.23Å; N470-K474 VanDerWaalsContact O-CG 3.28Å; N470-K474 WeakPolarHBondContact O-CG 3.45Å; N470-K474 PolarHBondContact O-N 3.27Å |
| 471 | I | 89.7 | Confident | 85.7 | Confident | 43 Ų | 43 | 47 Ų | 47 | 22% | 0.221 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -52.1 | 176.4 | -67.9 | 165.6 | 0 | 0 | 0 | 110.3 | L467 L468 T469 N473 K474 V475 F500 | L467-I471 HydrophobicContact CD1-CD1 4.18Å; L467-I471 HydrophobicContact CG-CD1 3.98Å; L467-I471 WeakPolarHBondContact O-CG1 3.4Å; L467-I471 PolarHBondContact O-N 2.9Å; L468-I471 HydrophobicContact CD2-CD1 4.45Å; L468-I471 PolarHBondContact O-N 3.36Å; T469-I471 PolarHBondContact O-N 3.46Å; I471-N473 VanDerWaalsContact C-N 3.29Å; I471-N473 PolarHBondContact O-N 2.94Å; I471-K474 PolarHBondContact O-N 2.85Å; I471-K474 VanDerWaalsContact O-N 3.12Å; I471-V475 HydrophobicContact CG2-CG2 4.32Å; I471-V475 WeakPolarHBondContact O-CG2 3.48Å; I471-V475 PolarHBondContact O-N 3.42Å; I471-F500 HydrophobicContact CG2-CD2 3.79Å; I471-F500 HydrophobicContact CG2-CE2 3.85Å |
| 472 | V | 87.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -45.6 | 178.1 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | L468 T469 V475 A476 V497 F500 L504 | L468-V472 WeakPolarHBondContact O-CB 3.4Å; L468-V472 WeakPolarHBondContact O-CG2 3.43Å; L468-V472 PolarHBondContact O-N 3.15Å; T469-V472 PolarHBondContact O-N 3.25Å; V472-V475 PolarHBondContact O-N 3.37Å; V472-A476 WeakPolarHBondContact O-CB 3.47Å; V472-A476 PolarHBondContact O-N 2.89Å; V472-V497 HydrophobicContact CG1-CG1 4.44Å; V472-F500 HydrophobicContact CG2-CB 3.82Å; V472-L504 HydrophobicContact CG2-CD2 4.36Å |
| 473 | N | 85.7 | Confident | 81.6 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 175.6 | -86.8 | -32.6 | 0 | 0 | 0 | 113 | T469 I471 V475 A476 R477 S541 I545 | T469-N473 WeakPolarHBondContact O-CB 3.26Å; T469-N473 PolarHBondContact O-N 3.41Å; T469-N473 PolarHBondContact O-ND2 2.91Å; I471-N473 VanDerWaalsContact C-N 3.29Å; I471-N473 PolarHBondContact O-N 2.94Å; N473-V475 VanDerWaalsContact C-N 3.34Å; N473-V475 PolarHBondContact O-N 2.7Å; N473-A476 PolarHBondContact O-N 3.42Å; N473-R477 WeakPolarHBondContact O-CB 3.37Å; N473-R477 VanDerWaalsContact O-CG 3.28Å; N473-R477 WeakPolarHBondContact O-CG 3.37Å; N473-R477 PolarHBondContact O-N 2.85Å; N473-S541 PolarHBondContact OD1-O 3.25Å; N473-I545 VanDerWaalsContact ND2-CG2 3.28Å; N473-I545 WeakPolarHBondContact ND2-CG2 3.41Å; N473-I545 WeakPolarHBondContact OD1-CG2 3.47Å |
| 474 | K | 85 | Confident | 79.2 | Confident | 141 Ų | 141 | 53.1 Ų | 53.1 | 61% | 0.613 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 178.4 | -78.4 | 176.4 | -179.9 | -178.6 | 0 | 111.7 | N470 I471 K478 | N470-K474 WeakPolarHBondContact O-CB 3.23Å; N470-K474 VanDerWaalsContact O-CG 3.28Å; N470-K474 WeakPolarHBondContact O-CG 3.45Å; N470-K474 PolarHBondContact O-N 3.27Å; I471-K474 PolarHBondContact O-N 2.85Å; I471-K474 VanDerWaalsContact O-N 3.12Å; K474-K478 PolarHBondContact O-N 3.37Å; K474-K478 VanDerWaalsContact O-N 3.09Å |
| 475 | V | 82.3 | Confident | 77 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 11% | 0.109 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.8 | -41.3 | 179.9 | -174.9 | 0 | 0 | 0 | 0 | 111 | I471 V472 N473 R477 K478 L479 L493 V497 | I471-V475 HydrophobicContact CG2-CG2 4.32Å; I471-V475 WeakPolarHBondContact O-CG2 3.48Å; I471-V475 PolarHBondContact O-N 3.42Å; V472-V475 PolarHBondContact O-N 3.37Å; N473-V475 VanDerWaalsContact C-N 3.34Å; N473-V475 PolarHBondContact O-N 2.7Å; V475-R477 VanDerWaalsContact C-N 3.32Å; V475-R477 PolarHBondContact O-N 3.48Å; V475-K478 PolarHBondContact O-N 2.86Å; V475-K478 VanDerWaalsContact O-N 3.15Å; V475-L479 HydrophobicContact CG1-CD1 4.42Å; V475-L479 HydrophobicContact CG1-CG 4.5Å; V475-L479 WeakPolarHBondContact O-CG 3.41Å; V475-L479 PolarHBondContact O-N 3.24Å; V475-L493 HydrophobicContact CG1-CB 4.07Å; V475-L493 HydrophobicContact CG1-CD2 3.77Å; V475-L493 HydrophobicContact CG1-CG 4.44Å; V475-V497 HydrophobicContact CB-CG2 3.58Å; V475-V497 HydrophobicContact CG1-CG2 3.18Å |
| 476 | A | 76.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.7 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V472 N473 L479 Q480 Y548 | V472-A476 WeakPolarHBondContact O-CB 3.47Å; V472-A476 PolarHBondContact O-N 2.89Å; N473-A476 PolarHBondContact O-N 3.42Å; A476-L479 WeakPolarHBondContact O-CB 3.48Å; A476-L479 PolarHBondContact O-N 3.06Å; A476-Q480 WeakPolarHBondContact O-CG 3.5Å; A476-Q480 PolarHBondContact O-N 3.41Å; A476-Q480 VanDerWaalsContact O-N 3.09Å; A476-Y548 HydrophobicContact CB-CD2 4.14Å; A476-Y548 HydrophobicContact CB-CE2 3.5Å |
| 477 | R | 73.8 | Confident | 74 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175 | -71.5 | -178.4 | -176 | 153.8 | 1 | 112.3 | N473 V475 L479 Q480 M481 I537 S541 | N473-R477 WeakPolarHBondContact O-CB 3.37Å; N473-R477 VanDerWaalsContact O-CG 3.28Å; N473-R477 WeakPolarHBondContact O-CG 3.37Å; N473-R477 PolarHBondContact O-N 2.85Å; V475-R477 VanDerWaalsContact C-N 3.32Å; V475-R477 PolarHBondContact O-N 3.48Å; R477-L479 VanDerWaalsContact C-N 3.29Å; R477-L479 PolarHBondContact O-N 3.47Å; R477-Q480 PolarHBondContact O-N 3.37Å; R477-Q480 VanDerWaalsContact O-N 3.16Å; R477-M481 WeakPolarHBondContact O-CG 3.48Å; R477-M481 PolarHBondContact O-N 3.49Å; R477-I537 HydrophobicContact CB-CG2 4.22Å; R477-I537 HydrophobicContact CG-CG2 3.74Å; R477-S541 VanDerWaalsContact NH2-CB 3.32Å; R477-S541 PolarHBondContact NH2-OG 2.93Å |
| 478 | K | 74.8 | Confident | 72.6 | Confident | 139 Ų | 139 | 67 Ų | 67 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | 175.3 | -77.9 | -172 | 174.6 | -170.5 | 0 | 112.1 | K474 V475 Q480 M481 | K474-K478 PolarHBondContact O-N 3.37Å; K474-K478 VanDerWaalsContact O-N 3.09Å; V475-K478 PolarHBondContact O-N 2.86Å; V475-K478 VanDerWaalsContact O-N 3.15Å; K478-Q480 VanDerWaalsContact C-N 3.3Å; K478-Q480 PolarHBondContact O-N 3.36Å; K478-M481 PolarHBondContact O-N 2.91Å |
| 479 | L | 68.9 | Low | 71.3 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -32.5 | 175 | -74.5 | 173.9 | 0 | 0 | 0 | 112.6 | V475 A476 R477 L493 V497 F648 | V475-L479 HydrophobicContact CG1-CD1 4.42Å; V475-L479 HydrophobicContact CG1-CG 4.5Å; V475-L479 WeakPolarHBondContact O-CG 3.41Å; V475-L479 PolarHBondContact O-N 3.24Å; A476-L479 WeakPolarHBondContact O-CB 3.48Å; A476-L479 PolarHBondContact O-N 3.06Å; R477-L479 VanDerWaalsContact C-N 3.29Å; R477-L479 PolarHBondContact O-N 3.47Å; L479-L493 HydrophobicContact CD1-CB 4.47Å; L479-L493 HydrophobicContact CD2-CB 3.55Å; L479-L493 HydrophobicContact CD2-CD1 4.07Å; L479-L493 HydrophobicContact CD2-CG 4.49Å; L479-L493 HydrophobicContact CG-CB 4.09Å; L479-V497 HydrophobicContact CD1-CG2 3.85Å; L479-F648 HydrophobicContact CD2-CE1 3.98Å; L479-F648 HydrophobicContact CD2-CZ 3.96Å |
| 480 | Q | 65 | Low | 70 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 23% | 0.229 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -76.1 | -34.7 | 176.5 | -72.7 | 178.5 | -16 | 0 | 0 | 113.3 | A476 R477 K478 K482 W652 | A476-Q480 WeakPolarHBondContact O-CG 3.5Å; A476-Q480 PolarHBondContact O-N 3.41Å; A476-Q480 VanDerWaalsContact O-N 3.09Å; R477-Q480 PolarHBondContact O-N 3.37Å; R477-Q480 VanDerWaalsContact O-N 3.16Å; K478-Q480 VanDerWaalsContact C-N 3.3Å; K478-Q480 PolarHBondContact O-N 3.36Å; Q480-K482 PolarHBondContact O-N 3.07Å; Q480-W652 HydrophobicContact CG-CH2 3.83Å |
| 481 | M | 64.3 | Low | 69 | Low | 107 Ų | 107 | 73.2 Ų | 73.2 | 53% | 0.527 | 37% | 0.372 | S | S | . | . | trans | -78.2 | 60.4 | 178.6 | -65 | -66.5 | -162.1 | 0 | 0 | 111 | R477 K478 N483 I537 | R477-M481 WeakPolarHBondContact O-CG 3.48Å; R477-M481 PolarHBondContact O-N 3.49Å; K478-M481 PolarHBondContact O-N 2.91Å; M481-N483 VanDerWaalsContact C-N 3.29Å; M481-N483 PolarHBondContact O-N 3.27Å; M481-I537 HydrophobicContact CE-CB 3.95Å; M481-I537 HydrophobicContact CE-CD1 3.25Å; M481-I537 HydrophobicContact CE-CG1 3.53Å; M481-I537 HydrophobicContact CE-CG2 4.04Å; M481-I537 HydrophobicContact SD-CD1 3.71Å; M481-I537 HydrophobicContact SD-CG1 4.15Å | ||
| 482 | K | 56.7 | Low | 68.2 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -74.7 | -7.7 | -169.5 | -167.4 | 172.2 | 175.8 | -176 | 0 | 115.1 | Q480 C484 M485 H644 F648 | Q480-K482 PolarHBondContact O-N 3.07Å; K482-C484 PolarHBondContact O-N 3.41Å; K482-M485 PolarHBondContact O-N 2.87Å; K482-H644 WeakPolarHBondContact CD-O 3.48Å; K482-H644 WeakPolarHBondContact CE-O 3.45Å; K482-H644 PolarHBondContact NZ-O 3.17Å; K482-F648 HydrophobicContact CD-CD2 3.96Å; K482-F648 HydrophobicContact CD-CE2 4.29Å; K482-F648 HydrophobicContact CD-CG 4.39Å; K482-F648 VanDerWaalsContact NZ-CD2 3.33Å |
| 483 | N | 50.1 | Low | 67.8 | Low | 128 Ų | 128 | 76.1 Ų | 76.1 | 68% | 0.684 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -59.5 | -1 | -178 | -74.4 | -4 | 0 | 0 | 0 | 114.9 | M481 | M481-N483 VanDerWaalsContact C-N 3.29Å; M481-N483 PolarHBondContact O-N 3.27Å |
| 484 | C | 44 | Very low | 67.3 | Low | 112 Ų | 112 | 78.3 Ų | 78.3 | 76% | 0.757 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -135.9 | 20.8 | 179.1 | -62.6 | 0 | 0 | 0 | 0 | 117.1 | K482 | K482-C484 PolarHBondContact O-N 3.41Š|
| 485 | M | 52 | Low | 67 | Low | 70 Ų | 70 | 75.5 Ų | 75.5 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | trans | -127.2 | 141 | -170.8 | -57.5 | -64.9 | -72.3 | 0 | 0 | 115.8 | K482 Q489 L493 | K482-M485 PolarHBondContact O-N 2.87Å; M485-Q489 HydrophobicContact CE-CB 3.7Å; M485-Q489 HydrophobicContact CE-CG 4.37Å; M485-L493 HydrophobicContact CE-CD1 3.77Å | ||
| 486 | N | 64.2 | Low | 67.1 | Low | 110 Ų | 110 | 75.8 Ų | 75.8 | 59% | 0.588 | 40% | 0.401 | S | S | * | . | trans | -83.4 | 160.9 | 174.8 | -61.5 | 2.4 | 0 | 0 | 0 | 112.2 | S488 Q489 S490 | N486-S488 PolarHBondContact O-N 3.42Å; N486-Q489 PolarHBondContact O-N 2.88Å; N486-S490 PolarHBondContact O-N 3.41Å | ||
| 487 | E | 63.1 | Low | 67.4 | Low | 154 Ų | 154 | 75.9 Ų | 75.9 | 72% | 0.72 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.5 | -43.7 | -177.9 | -70.4 | -172.2 | 161.7 | 0 | 0 | 114.1 | S490 L491 | E487-S490 VanDerWaalsContact O-CB 3.23Å; E487-S490 WeakPolarHBondContact O-CB 3.34Å; E487-S490 PolarHBondContact O-N 3.21Å; E487-S490 PolarHBondContact O-OG 3.39Å; E487-L491 PolarHBondContact O-N 3.11Å; E487-L491 VanDerWaalsContact O-N 3.09Å |
| 488 | S | 63.6 | Low | 67.8 | Low | 88 Ų | 88 | 73.8 Ų | 73.8 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | -178.9 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | N486 S490 L491 S492 | N486-S488 PolarHBondContact O-N 3.42Å; S488-S490 VanDerWaalsContact C-N 3.25Å; S488-S490 PolarHBondContact O-N 3.34Å; S488-L491 PolarHBondContact O-N 3.48Å; S488-S492 PolarHBondContact O-N 3.08Å; S488-S492 VanDerWaalsContact O-N 3.14Å |
| 489 | Q | 66.7 | Low | 68.4 | Low | 90 Ų | 90 | 68.8 Ų | 68.8 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 176.3 | -67 | 176.6 | -16.7 | 0 | 0 | 111.1 | M485 N486 L493 | M485-Q489 HydrophobicContact CE-CB 3.7Å; M485-Q489 HydrophobicContact CE-CG 4.37Å; N486-Q489 PolarHBondContact O-N 2.88Å; Q489-L493 WeakPolarHBondContact O-CB 3.36Å; Q489-L493 VanDerWaalsContact O-CG 3.27Å; Q489-L493 WeakPolarHBondContact O-CG 3.29Å; Q489-L493 PolarHBondContact O-N 2.83Å |
| 490 | S | 66.1 | Low | 69.5 | Low | 21 Ų | 21 | 68.6 Ų | 68.6 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.4 | 124.9 | 0 | 0 | 0 | 0 | 112.2 | N486 E487 S488 L493 S494 F648 | N486-S490 PolarHBondContact O-N 3.41Å; E487-S490 VanDerWaalsContact O-CB 3.23Å; E487-S490 WeakPolarHBondContact O-CB 3.34Å; E487-S490 PolarHBondContact O-N 3.21Å; E487-S490 PolarHBondContact O-OG 3.39Å; S488-S490 VanDerWaalsContact C-N 3.25Å; S488-S490 PolarHBondContact O-N 3.34Å; S490-L493 PolarHBondContact O-N 3.46Å; S490-S494 WeakPolarHBondContact O-CB 3.46Å; S490-S494 PolarHBondContact O-N 3.19Å; S490-F648 VanDerWaalsContact CB-CZ 3.42Å; S490-F648 WeakPolarHBondContact OG-CE2 3.35Å; S490-F648 WeakPolarHBondContact OG-CZ 3.45Å |
| 491 | L | 69.3 | Low | 70.6 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 55% | 0.55 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 179.4 | -174.3 | 69.1 | 0 | 0 | 0 | 110.1 | E487 S488 L493 S494 H495 | E487-L491 PolarHBondContact O-N 3.11Å; E487-L491 VanDerWaalsContact O-N 3.09Å; S488-L491 PolarHBondContact O-N 3.48Å; L491-L493 VanDerWaalsContact C-N 3.35Å; L491-L493 PolarHBondContact O-N 3.13Å; L491-S494 WeakPolarHBondContact O-CB 3.43Å; L491-S494 PolarHBondContact O-N 3.35Å; L491-S494 VanDerWaalsContact O-N 3.08Å; L491-H495 PolarHBondContact O-CD2 2.92Å; L491-H495 PolarHBondContact O-N 3.29Å |
| 492 | S | 74.2 | Confident | 71.8 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 49% | 0.49 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 112.7 | S488 S494 H495 T496 | S488-S492 PolarHBondContact O-N 3.08Å; S488-S492 VanDerWaalsContact O-N 3.14Å; S492-S494 PolarHBondContact O-N 2.92Å; S492-H495 PolarHBondContact O-N 3.29Å; S492-T496 WeakPolarHBondContact O-CB 3.49Å; S492-T496 PolarHBondContact O-N 3.23Å; S492-T496 PolarHBondContact O-OG1 2.89Å |
| 493 | L | 78.5 | Confident | 73.6 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 176 | -69.6 | 171.2 | 0 | 0 | 0 | 111.8 | V475 L479 M485 Q489 S490 L491 T496 V497 | V475-L493 HydrophobicContact CG1-CB 4.07Å; V475-L493 HydrophobicContact CG1-CD2 3.77Å; V475-L493 HydrophobicContact CG1-CG 4.44Å; L479-L493 HydrophobicContact CD1-CB 4.47Å; L479-L493 HydrophobicContact CD2-CB 3.55Å; L479-L493 HydrophobicContact CD2-CD1 4.07Å; L479-L493 HydrophobicContact CD2-CG 4.49Å; L479-L493 HydrophobicContact CG-CB 4.09Å; M485-L493 HydrophobicContact CE-CD1 3.77Å; Q489-L493 WeakPolarHBondContact O-CB 3.36Å; Q489-L493 VanDerWaalsContact O-CG 3.27Å; Q489-L493 WeakPolarHBondContact O-CG 3.29Å; Q489-L493 PolarHBondContact O-N 2.83Å; S490-L493 PolarHBondContact O-N 3.46Å; L491-L493 VanDerWaalsContact C-N 3.35Å; L491-L493 PolarHBondContact O-N 3.13Å; L493-T496 WeakPolarHBondContact O-CB 3.48Å; L493-T496 PolarHBondContact O-N 3.11Å; L493-V497 WeakPolarHBondContact O-CG2 3.19Å; L493-V497 PolarHBondContact O-N 3.2Å |
| 494 | S | 75.1 | Confident | 75.8 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.5 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | S490 L491 S492 T496 V497 S498 | S490-S494 WeakPolarHBondContact O-CB 3.46Å; S490-S494 PolarHBondContact O-N 3.19Å; L491-S494 WeakPolarHBondContact O-CB 3.43Å; L491-S494 PolarHBondContact O-N 3.35Å; L491-S494 VanDerWaalsContact O-N 3.08Å; S492-S494 PolarHBondContact O-N 2.92Å; S494-T496 VanDerWaalsContact C-N 3.35Å; S494-T496 PolarHBondContact O-N 3.18Å; S494-V497 PolarHBondContact O-N 3.36Å; S494-S498 WeakPolarHBondContact O-CB 3.36Å; S494-S498 PolarHBondContact O-N 3.18Å |
| 495 | H | 78.4 | Confident | 78.1 | Confident | 81 Ų | 81 | 52 Ų | 52 | 38% | 0.375 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 173.5 | -74.8 | -75.5 | 0 | 0 | 0 | 111.4 | L491 S492 V497 S498 R499 | L491-H495 PolarHBondContact O-CD2 2.92Å; L491-H495 PolarHBondContact O-N 3.29Å; S492-H495 PolarHBondContact O-N 3.29Å; H495-V497 PolarHBondContact O-N 3.11Å; H495-S498 PolarHBondContact O-N 3.41Å; H495-R499 WeakPolarHBondContact O-CB 3.44Å; H495-R499 VanDerWaalsContact O-CG 3.26Å; H495-R499 WeakPolarHBondContact O-CG 3.3Å; H495-R499 PolarHBondContact O-N 3.03Å |
| 496 | T | 83.7 | Confident | 80.2 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.3 | -50.2 | 177.9 | -61 | 0 | 0 | 0 | 0 | 111.6 | L435 S492 L493 S494 R499 F500 | L435-T496 HydrophobicContact CD2-CG2 3.86Å; S492-T496 WeakPolarHBondContact O-CB 3.49Å; S492-T496 PolarHBondContact O-N 3.23Å; S492-T496 PolarHBondContact O-OG1 2.89Å; L493-T496 WeakPolarHBondContact O-CB 3.48Å; L493-T496 PolarHBondContact O-N 3.11Å; S494-T496 VanDerWaalsContact C-N 3.35Å; S494-T496 PolarHBondContact O-N 3.18Å; T496-R499 PolarHBondContact O-N 3.26Å; T496-F500 HydrophobicContact CG2-CD2 3.73Å; T496-F500 HydrophobicContact CG2-CE2 3.61Å; T496-F500 WeakPolarHBondContact O-CD2 3.37Å; T496-F500 PolarHBondContact O-N 2.65Å |
| 497 | V | 83.9 | Confident | 81.7 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -45 | 179.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | V472 V475 L479 L493 S494 H495 R499 S501 Y548 | V472-V497 HydrophobicContact CG1-CG1 4.44Å; V475-V497 HydrophobicContact CB-CG2 3.58Å; V475-V497 HydrophobicContact CG1-CG2 3.18Å; L479-V497 HydrophobicContact CD1-CG2 3.85Å; L493-V497 WeakPolarHBondContact O-CG2 3.19Å; L493-V497 PolarHBondContact O-N 3.2Å; S494-V497 PolarHBondContact O-N 3.36Å; H495-V497 PolarHBondContact O-N 3.11Å; V497-R499 PolarHBondContact O-N 3.19Å; V497-S501 WeakPolarHBondContact O-CB 3.5Å; V497-S501 PolarHBondContact O-N 2.84Å; V497-S501 PolarHBondContact O-OG 3.3Å; V497-Y548 HydrophobicContact CB-CD1 4.38Å; V497-Y548 HydrophobicContact CG1-CD1 3.23Å; V497-Y548 HydrophobicContact CG1-CD2 3.84Å; V497-Y548 HydrophobicContact CG1-CE1 3.78Å; V497-Y548 HydrophobicContact CG1-CE2 4.33Å; V497-Y548 HydrophobicContact CG1-CG 3.24Å |
| 498 | S | 81.8 | Confident | 83.2 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.7 | -52 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | S494 H495 S501 H502 | S494-S498 WeakPolarHBondContact O-CB 3.36Å; S494-S498 PolarHBondContact O-N 3.18Å; H495-S498 PolarHBondContact O-N 3.41Å; S498-S501 WeakPolarHBondContact O-CB 3.49Å; S498-S501 PolarHBondContact O-N 3.18Å; S498-H502 PolarHBondContact O-N 3.17Å; S498-H502 PolarHBondContact O-ND1 3.19Å; S498-H502 PolarHBondContact OG-CE1 3.24Å; S498-H502 PolarHBondContact OG-ND1 3.4Å |
| 499 | R | 87.1 | Confident | 84.6 | Confident | 34 Ų | 34 | 36.4 Ų | 36.4 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -51.3 | -177.8 | -70.7 | -176.7 | 174 | 140.4 | 8.4 | 112.1 | V434 L435 S436 H442 M446 H495 T496 V497 S501 H502 L503 | V434-R499 VanDerWaalsContact O-CD 3.23Å; V434-R499 WeakPolarHBondContact O-CD 3.41Å; L435-R499 PolarHBondContact O-NH1 3.13Å; S436-R499 PolarHBondContact O-NE 3.01Å; S436-R499 PolarHBondContact O-NH1 3.09Å; S436-R499 PolarHBondContact O-NH2 2.64Å; S436-R499 VanDerWaalsContact O-NH2 3.13Å; H442-R499 WeakPolarHBondContact CE1-CG 3.31Å; M446-R499 WeakPolarHBondContact CE-O 3.28Å; H495-R499 WeakPolarHBondContact O-CB 3.44Å; H495-R499 VanDerWaalsContact O-CG 3.26Å; H495-R499 WeakPolarHBondContact O-CG 3.3Å; H495-R499 PolarHBondContact O-N 3.03Å; T496-R499 PolarHBondContact O-N 3.26Å; V497-R499 PolarHBondContact O-N 3.19Å; R499-S501 VanDerWaalsContact C-N 3.27Å; R499-S501 PolarHBondContact O-N 2.83Å; R499-H502 PolarHBondContact O-N 3.32Å; R499-L503 PolarHBondContact O-N 2.84Å; R499-L503 VanDerWaalsContact O-N 3.09Å |
| 500 | F | 91.7 | Very high | 85.9 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -32.7 | 177.2 | -72.5 | -48.3 | 0 | 0 | 0 | 113.1 | L431 V434 L435 L468 I471 V472 T496 L503 L504 | L431-F500 HydrophobicContact CD1-CE1 3.8Å; L431-F500 HydrophobicContact CD1-CZ 3.57Å; V434-F500 HydrophobicContact CG1-CD1 4.11Å; V434-F500 HydrophobicContact CG1-CE1 4.01Å; L435-F500 HydrophobicContact CD1-CE2 4.09Å; L435-F500 HydrophobicContact CD1-CZ 3.82Å; L435-F500 HydrophobicContact CD2-CD2 4.22Å; L435-F500 HydrophobicContact CD2-CE1 4.31Å; L435-F500 HydrophobicContact CD2-CE2 3.61Å; L435-F500 HydrophobicContact CD2-CZ 3.65Å; L435-F500 HydrophobicContact CG-CE1 4.49Å; L435-F500 HydrophobicContact CG-CE2 4.19Å; L435-F500 HydrophobicContact CG-CZ 3.79Å; L468-F500 HydrophobicContact CD2-CB 4.48Å; L468-F500 HydrophobicContact CD2-CD1 3.5Å; L468-F500 VanDerWaalsContact CD2-CD1 3.5Å; L468-F500 HydrophobicContact CD2-CE1 3.97Å; L468-F500 HydrophobicContact CD2-CG 4.17Å; I471-F500 HydrophobicContact CG2-CD2 3.79Å; I471-F500 HydrophobicContact CG2-CE2 3.85Å; V472-F500 HydrophobicContact CG2-CB 3.82Å; T496-F500 HydrophobicContact CG2-CD2 3.73Å; T496-F500 HydrophobicContact CG2-CE2 3.61Å; T496-F500 WeakPolarHBondContact O-CD2 3.37Å; T496-F500 PolarHBondContact O-N 2.65Å; F500-L503 PolarHBondContact O-N 3.45Å; F500-L504 WeakPolarHBondContact O-CB 3.25Å; F500-L504 PolarHBondContact O-N 3.01Å |
| 501 | S | 88.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 177.7 | -65 | 0 | 0 | 0 | 0 | 112.7 | V497 S498 R499 S505 Y548 | V497-S501 WeakPolarHBondContact O-CB 3.5Å; V497-S501 PolarHBondContact O-N 2.84Å; V497-S501 PolarHBondContact O-OG 3.3Å; S498-S501 WeakPolarHBondContact O-CB 3.49Å; S498-S501 PolarHBondContact O-N 3.18Å; R499-S501 VanDerWaalsContact C-N 3.27Å; R499-S501 PolarHBondContact O-N 2.83Å; S501-S505 WeakPolarHBondContact O-CB 3.32Å; S501-S505 PolarHBondContact O-N 3.08Å; S501-Y548 WeakPolarHBondContact CB-O 3.45Å; S501-Y548 WeakPolarHBondContact OG-CB 3.4Å |
| 502 | H | 88.7 | Confident | 88.4 | Confident | 84 Ų | 84 | 32.2 Ų | 32.2 | 39% | 0.389 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 173.3 | -73.1 | 90.9 | 0 | 0 | 0 | 111.7 | M446 S498 R499 S505 R506 | M446-H502 HydrophobicContact CE-CB 3.84Å; S498-H502 PolarHBondContact O-N 3.17Å; S498-H502 PolarHBondContact O-ND1 3.19Å; S498-H502 PolarHBondContact OG-CE1 3.24Å; S498-H502 PolarHBondContact OG-ND1 3.4Å; R499-H502 PolarHBondContact O-N 3.32Å; H502-S505 WeakPolarHBondContact O-CB 3.26Å; H502-S505 PolarHBondContact O-N 2.86Å; H502-R506 WeakPolarHBondContact O-CG 3.42Å; H502-R506 PolarHBondContact O-N 2.97Å |
| 503 | L | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 175.4 | 177.2 | 59.9 | 0 | 0 | 0 | 110.9 | V434 M446 W449 L468 R499 F500 S505 R506 L507 | V434-L503 HydrophobicContact CG1-CD2 4.37Å; V434-L503 HydrophobicContact CG2-CD2 4.33Å; M446-L503 HydrophobicContact CB-CD1 4.44Å; M446-L503 HydrophobicContact CE-CB 3.94Å; M446-L503 HydrophobicContact CG-CB 4.46Å; M446-L503 HydrophobicContact CG-CD1 4.37Å; W449-L503 HydrophobicContact CB-CD1 4.25Å; W449-L503 HydrophobicContact CD2-CD2 3.75Å; W449-L503 HydrophobicContact CE3-CD2 3.53Å; W449-L503 HydrophobicContact CG-CD1 4.48Å; W449-L503 HydrophobicContact CG-CD2 4.24Å; W449-L503 HydrophobicContact CZ3-CD2 3.94Å; L468-L503 HydrophobicContact CD1-CD2 3.81Å; L468-L503 HydrophobicContact CD1-CG 3.94Å; L468-L503 HydrophobicContact CD2-CD2 4.43Å; R499-L503 PolarHBondContact O-N 2.84Å; R499-L503 VanDerWaalsContact O-N 3.09Å; F500-L503 PolarHBondContact O-N 3.45Å; L503-S505 VanDerWaalsContact C-N 3.31Å; L503-S505 PolarHBondContact O-N 3.36Å; L503-R506 WeakPolarHBondContact O-CB 3.33Å; L503-R506 PolarHBondContact O-N 3.15Å; L503-L507 HydrophobicContact CD1-CD1 4.04Å; L503-L507 HydrophobicContact CD1-CG 4.07Å; L503-L507 HydrophobicContact CG-CD1 3.9Å; L503-L507 HydrophobicContact CG-CG 4.33Å; L503-L507 WeakPolarHBondContact O-CG 3.06Å; L503-L507 PolarHBondContact O-N 2.93Å |
| 504 | L | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 178 | 178.2 | 54.8 | 0 | 0 | 0 | 111.6 | V465 L468 V472 F500 R506 L507 I508 V549 | V465-L504 HydrophobicContact CB-CD1 4.28Å; V465-L504 HydrophobicContact CG1-CD1 3.84Å; V465-L504 HydrophobicContact CG2-CD1 4.37Å; L468-L504 HydrophobicContact CB-CB 4.43Å; L468-L504 HydrophobicContact CB-CD1 4.24Å; V472-L504 HydrophobicContact CG2-CD2 4.36Å; F500-L504 WeakPolarHBondContact O-CB 3.25Å; F500-L504 PolarHBondContact O-N 3.01Å; L504-R506 VanDerWaalsContact C-N 3.3Å; L504-R506 PolarHBondContact O-N 3.17Å; L504-L507 PolarHBondContact O-N 3.4Å; L504-L507 VanDerWaalsContact O-N 3.17Å; L504-I508 HydrophobicContact CD1-CD1 3.99Å; L504-I508 HydrophobicContact CD1-CG1 3.98Å; L504-I508 HydrophobicContact CG-CD1 3.92Å; L504-I508 HydrophobicContact CG-CG1 4.41Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.36Å; L504-I508 PolarHBondContact O-N 2.68Å; L504-V549 HydrophobicContact CB-CG2 4.47Å; L504-V549 HydrophobicContact CD2-CG2 3.61Å; L504-V549 HydrophobicContact CG-CG1 4.34Å; L504-V549 HydrophobicContact CG-CG2 4.15Å |
| 505 | S | 93.7 | Very high | 90.8 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.5 | -46 | 174 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | S501 H502 L503 P550 P552 | S501-S505 WeakPolarHBondContact O-CB 3.32Å; S501-S505 PolarHBondContact O-N 3.08Å; H502-S505 WeakPolarHBondContact O-CB 3.26Å; H502-S505 PolarHBondContact O-N 2.86Å; L503-S505 VanDerWaalsContact C-N 3.31Å; L503-S505 PolarHBondContact O-N 3.36Å; S505-P550 WeakPolarHBondContact CB-O 2.84Å; S505-P550 PolarHBondContact OG-O 3.45Å; S505-P552 WeakPolarHBondContact O-CG 3.27Å; S505-P552 WeakPolarHBondContact OG-CD 3.13Å |
| 506 | R | 94.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 33 Ų | 33 | 25% | 0.249 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.7 | -39.2 | 178.6 | -66.6 | 171.5 | 58.5 | 166 | 2.7 | 112.3 | D447 C450 H502 L503 L504 V509 | D447-R506 IonicContact OD1-CZ 2.86Å; D447-R506 IonicContact OD1-NH1 3.96Å; D447-R506 PolarHBondContact OD1-NH1 2.9Å; D447-R506 IonicContact OD1-NH2 3.21Å; D447-R506 PolarHBondContact OD1-NH2 3.48Å; C450-R506 VanDerWaalsContact SG-CZ 3.54Å; C450-R506 PolarHBondContact SG-NE 3.11Å; C450-R506 PolarHBondContact SG-NH2 2.73Å; C450-R506 VanDerWaalsContact SG-NH2 3.44Å; H502-R506 WeakPolarHBondContact O-CG 3.42Å; H502-R506 PolarHBondContact O-N 2.97Å; L503-R506 WeakPolarHBondContact O-CB 3.33Å; L503-R506 PolarHBondContact O-N 3.15Å; L504-R506 VanDerWaalsContact C-N 3.3Å; L504-R506 PolarHBondContact O-N 3.17Å; R506-V509 WeakPolarHBondContact O-CB 3.41Å |
| 507 | L | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.1 | -34.9 | -177.7 | -67.7 | 177.7 | 0 | 0 | 0 | 113.4 | A453 V465 L468 L503 L504 V509 F510 | A453-L507 HydrophobicContact CB-CD2 3.41Å; A453-L507 VanDerWaalsContact CB-CD2 3.41Å; V465-L507 HydrophobicContact CG2-CB 3.81Å; L468-L507 HydrophobicContact CD1-CD1 3.46Å; L468-L507 VanDerWaalsContact CD1-CD1 3.46Å; L503-L507 HydrophobicContact CD1-CD1 4.04Å; L503-L507 HydrophobicContact CD1-CG 4.07Å; L503-L507 HydrophobicContact CG-CD1 3.9Å; L503-L507 HydrophobicContact CG-CG 4.33Å; L503-L507 WeakPolarHBondContact O-CG 3.06Å; L503-L507 PolarHBondContact O-N 2.93Å; L504-L507 PolarHBondContact O-N 3.4Å; L504-L507 VanDerWaalsContact O-N 3.17Å; L507-V509 PolarHBondContact O-N 3.33Å; L507-V509 VanDerWaalsContact O-N 3.14Å; L507-F510 HydrophobicContact CD2-CD2 3.87Å; L507-F510 HydrophobicContact CD2-CE2 4.08Å; L507-F510 WeakPolarHBondContact O-CB 3.16Å; L507-F510 PolarHBondContact O-N 3.03Å |
| 508 | I | 94.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56 | -33.8 | 176.5 | -71.2 | 162 | 0 | 0 | 0 | 111.1 | V465 L504 F510 L511 Q516 Y519 W546 V549 L556 | V465-I508 HydrophobicContact CG1-CG1 4.18Å; L504-I508 HydrophobicContact CD1-CD1 3.99Å; L504-I508 HydrophobicContact CD1-CG1 3.98Å; L504-I508 HydrophobicContact CG-CD1 3.92Å; L504-I508 HydrophobicContact CG-CG1 4.41Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.36Å; L504-I508 PolarHBondContact O-N 2.68Å; I508-F510 PolarHBondContact O-N 3.14Å; I508-L511 WeakPolarHBondContact O-CB 2.99Å; I508-L511 PolarHBondContact O-N 3.18Å; I508-Q516 PolarHBondContact O-NE2 3.22Å; I508-Y519 HydrophobicContact CD1-CE1 3.68Å; I508-Y519 HydrophobicContact CG1-CD1 4.5Å; I508-Y519 HydrophobicContact CG1-CE1 3.91Å; I508-W546 HydrophobicContact CD1-CH2 4.45Å; I508-W546 HydrophobicContact CD1-CZ3 4.44Å; I508-V549 HydrophobicContact CD1-CG1 4.13Å; I508-L556 HydrophobicContact CG2-CD2 3.98Å |
| 509 | V | 94.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 12% | 0.121 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.6 | 177 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | R506 L507 Q516 P552 R555 L556 | R506-V509 WeakPolarHBondContact O-CB 3.41Å; L507-V509 PolarHBondContact O-N 3.33Å; L507-V509 VanDerWaalsContact O-N 3.14Å; V509-Q516 PolarHBondContact O-NE2 3.41Å; V509-P552 HydrophobicContact CG2-CB 4.07Å; V509-P552 HydrophobicContact CG2-CG 3.35Å; V509-R555 HydrophobicContact CG1-CB 3.77Å; V509-R555 HydrophobicContact CG2-CB 3.89Å; V509-L556 HydrophobicContact CG2-CD2 4.22Å |
| 510 | F | 94.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 32.4 Ų | 32.4 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -14.1 | -177 | -56 | -35 | 0 | 0 | 0 | 113.8 | C450 A453 L507 I508 | C450-F510 HydrophobicContact CB-CE2 3.76Å; C450-F510 HydrophobicContact CB-CZ 4.2Å; A453-F510 HydrophobicContact CB-CD2 4.35Å; L507-F510 HydrophobicContact CD2-CD2 3.87Å; L507-F510 HydrophobicContact CD2-CE2 4.08Å; L507-F510 WeakPolarHBondContact O-CB 3.16Å; L507-F510 PolarHBondContact O-N 3.03Å; I508-F510 PolarHBondContact O-N 3.14Å |
| 511 | L | 95 | Very high | 92.6 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -61 | 145.6 | 173.7 | -65.8 | -178.3 | 0 | 0 | 0 | 111.4 | C461 L462 V465 I508 Q515 Q516 Y519 | C461-L511 HydrophobicContact CB-CD2 4.5Å; L462-L511 HydrophobicContact CB-CD2 4.1Å; L462-L511 HydrophobicContact CD1-CD2 4.12Å; V465-L511 HydrophobicContact CB-CD1 4.46Å; V465-L511 HydrophobicContact CB-CD2 4.45Å; V465-L511 HydrophobicContact CG1-CD1 4.1Å; V465-L511 HydrophobicContact CG2-CD1 4.23Å; V465-L511 HydrophobicContact CG2-CD2 4.05Å; V465-L511 HydrophobicContact CG2-CG 4.14Å; I508-L511 WeakPolarHBondContact O-CB 2.99Å; I508-L511 PolarHBondContact O-N 3.18Å; L511-Q515 HydrophobicContact CB-CB 3.98Å; L511-Q515 HydrophobicContact CD1-CB 4.47Å; L511-Q515 HydrophobicContact CD2-CB 4.25Å; L511-Q515 HydrophobicContact CG-CB 4.48Å; L511-Q516 HydrophobicContact CB-CG 3.59Å; L511-Q516 PolarHBondContact O-NE2 2.83Å; L511-Q516 VanDerWaalsContact O-NE2 3.1Å; L511-Y519 HydrophobicContact CD1-CG 4.35Å |
| 512 | T | 92.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 40% | 0.399 | 22% | 0.22 | S | C | . | . | trans | -61.8 | 157.9 | 171.5 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | K514 Q515 Q516 | T512-K514 PolarHBondContact O-N 3.18Å; T512-K514 VanDerWaalsContact O-N 3.15Å; T512-Q515 PolarHBondContact O-N 2.79Å; T512-Q515 WeakPolarHBondContact OG1-CB 3.4Å; T512-Q515 VanDerWaalsContact OG1-CD 3.26Å; T512-Q515 WeakPolarHBondContact OG1-CG 3.37Å; T512-Q515 PolarHBondContact OG1-N 2.9Å; T512-Q515 PolarHBondContact OG1-OE1 3.27Å; T512-Q516 WeakPolarHBondContact O-CG 3.3Å; T512-Q516 PolarHBondContact O-N 3.3Å | ||
| 513 | P | 91.7 | Very high | 92.4 | Very high | 69 Ų | 69 | 41 Ų | 41 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -53.5 | -39 | 179 | -23 | 28.9 | 0 | 0 | 0 | 113.6 | S517 Q557 | P513-S517 PolarHBondContact O-N 2.94Å; P513-S517 PolarHBondContact O-OG 2.88Å; P513-Q557 HydrophobicContact CB-CB 4.47Å; P513-Q557 HydrophobicContact CB-CG 4.27Å; P513-Q557 HydrophobicContact CG-CG 3.99Å |
| 514 | K | 92.9 | Very high | 91.7 | Very high | 164 Ų | 164 | 42.4 Ų | 42.4 | 71% | 0.713 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.2 | -42.4 | 176.5 | -175.4 | -179 | 177.9 | -176.3 | 0 | 111.9 | T512 S517 V518 | T512-K514 PolarHBondContact O-N 3.18Å; T512-K514 VanDerWaalsContact O-N 3.15Å; K514-S517 PolarHBondContact O-N 3.08Å; K514-S517 PolarHBondContact O-OG 3.4Å; K514-V518 VanDerWaalsContact O-CG2 3.26Å; K514-V518 WeakPolarHBondContact O-CG2 3.46Å; K514-V518 PolarHBondContact O-N 2.59Å |
| 515 | Q | 93.9 | Very high | 91.1 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 12% | 0.121 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -38.3 | 176.6 | -73.1 | 167.3 | -35.3 | 0 | 0 | 111.5 | G458 L462 L511 T512 V518 Y519 | G458-Q515 PolarHBondContact O-NE2 3.28Å; L462-Q515 HydrophobicContact CD1-CB 4.46Å; L462-Q515 HydrophobicContact CD2-CG 4.29Å; L511-Q515 HydrophobicContact CB-CB 3.98Å; L511-Q515 HydrophobicContact CD1-CB 4.47Å; L511-Q515 HydrophobicContact CD2-CB 4.25Å; L511-Q515 HydrophobicContact CG-CB 4.48Å; T512-Q515 PolarHBondContact O-N 2.79Å; T512-Q515 WeakPolarHBondContact OG1-CB 3.4Å; T512-Q515 VanDerWaalsContact OG1-CD 3.26Å; T512-Q515 WeakPolarHBondContact OG1-CG 3.37Å; T512-Q515 PolarHBondContact OG1-N 2.9Å; T512-Q515 PolarHBondContact OG1-OE1 3.27Å; Q515-V518 PolarHBondContact O-N 3.15Å; Q515-Y519 WeakPolarHBondContact O-CB 3.38Å; Q515-Y519 PolarHBondContact O-N 3.36Å |
| 516 | Q | 93.6 | Very high | 90 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.6 | -71 | -175.9 | 3.8 | 0 | 0 | 111.4 | I508 V509 L511 T512 Y519 L520 S560 | I508-Q516 PolarHBondContact O-NE2 3.22Å; V509-Q516 PolarHBondContact O-NE2 3.41Å; L511-Q516 HydrophobicContact CB-CG 3.59Å; L511-Q516 PolarHBondContact O-NE2 2.83Å; L511-Q516 VanDerWaalsContact O-NE2 3.1Å; T512-Q516 WeakPolarHBondContact O-CG 3.3Å; T512-Q516 PolarHBondContact O-N 3.3Å; Q516-Y519 PolarHBondContact O-N 3.49Å; Q516-L520 WeakPolarHBondContact O-CB 3.32Å; Q516-L520 VanDerWaalsContact O-CG 3.23Å; Q516-L520 WeakPolarHBondContact O-CG 3.29Å; Q516-L520 PolarHBondContact O-N 2.62Å; Q516-S560 VanDerWaalsContact CB-OG 3.26Å; Q516-S560 WeakPolarHBondContact CB-OG 3.4Å; Q516-S560 PolarHBondContact OE1-OG 3.49Å |
| 517 | S | 91 | Very high | 88.5 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 178.3 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | P513 K514 Y519 L520 H521 | P513-S517 PolarHBondContact O-N 2.94Å; P513-S517 PolarHBondContact O-OG 2.88Å; K514-S517 PolarHBondContact O-N 3.08Å; K514-S517 PolarHBondContact O-OG 3.4Å; S517-Y519 VanDerWaalsContact C-N 3.35Å; S517-Y519 PolarHBondContact O-N 2.84Å; S517-L520 PolarHBondContact O-N 3.35Å; S517-H521 PolarHBondContact O-CD2 3.4Å; S517-H521 PolarHBondContact O-N 3.08Å |
| 518 | V | 91.3 | Very high | 86.8 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 176 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | K514 Q515 L520 H521 Q522 | K514-V518 VanDerWaalsContact O-CG2 3.26Å; K514-V518 WeakPolarHBondContact O-CG2 3.46Å; K514-V518 PolarHBondContact O-N 2.59Å; Q515-V518 PolarHBondContact O-N 3.15Å; V518-L520 PolarHBondContact O-N 3.3Å; V518-H521 PolarHBondContact O-N 3.22Å; V518-Q522 HydrophobicContact CG1-CG 4.39Å; V518-Q522 WeakPolarHBondContact O-CG 3.43Å; V518-Q522 PolarHBondContact O-N 3.49Å |
| 519 | Y | 91.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 178.7 | 175.9 | -97.9 | 0 | 0 | 0 | 112.4 | V465 T469 I508 L511 Q515 Q516 S517 H521 Q522 N523 I545 W546 | V465-Y519 HydrophobicContact CG1-CD2 3.64Å; V465-Y519 HydrophobicContact CG1-CE2 3.38Å; V465-Y519 HydrophobicContact CG1-CG 4.35Å; T469-Y519 HydrophobicContact CG2-CE2 4.19Å; T469-Y519 WeakPolarHBondContact OG1-CE2 3.47Å; T469-Y519 PolarHBondContact OG1-OH 2.93Å; T469-Y519 VanDerWaalsContact OG1-OH 3.04Å; I508-Y519 HydrophobicContact CD1-CE1 3.68Å; I508-Y519 HydrophobicContact CG1-CD1 4.5Å; I508-Y519 HydrophobicContact CG1-CE1 3.91Å; L511-Y519 HydrophobicContact CD1-CG 4.35Å; Q515-Y519 WeakPolarHBondContact O-CB 3.38Å; Q515-Y519 PolarHBondContact O-N 3.36Å; Q516-Y519 PolarHBondContact O-N 3.49Å; S517-Y519 VanDerWaalsContact C-N 3.35Å; S517-Y519 PolarHBondContact O-N 2.84Å; Y519-H521 VanDerWaalsContact C-N 3.31Å; Y519-H521 PolarHBondContact O-N 3.2Å; Y519-Q522 PolarHBondContact O-N 3.12Å; Y519-N523 WeakPolarHBondContact CD2-ND2 3.3Å; Y519-N523 WeakPolarHBondContact CE2-ND2 3.38Å; Y519-N523 PolarHBondContact O-N 2.7Å; Y519-N523 PolarHBondContact O-ND2 3.36Å; Y519-I545 WeakPolarHBondContact OH-CD1 3.38Å; Y519-W546 AromaticContact CE1-CH2 3.76Å; Y519-W546 HydrophobicContact CE1-CH2 3.76Å; Y519-W546 HydrophobicContact CE1-CZ2 4.05Å |
| 520 | L | 89.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.5 | -27.3 | 177.1 | -70.9 | 170.7 | 0 | 0 | 0 | 113 | Q516 S517 V518 N523 S524 I525 W546 I563 I564 | Q516-L520 WeakPolarHBondContact O-CB 3.32Å; Q516-L520 VanDerWaalsContact O-CG 3.23Å; Q516-L520 WeakPolarHBondContact O-CG 3.29Å; Q516-L520 PolarHBondContact O-N 2.62Å; S517-L520 PolarHBondContact O-N 3.35Å; V518-L520 PolarHBondContact O-N 3.3Å; L520-N523 CarbonylContact O-C 3.56Å; L520-S524 WeakPolarHBondContact O-CA 3.33Å; L520-S524 PolarHBondContact O-N 3.35Å; L520-I525 HydrophobicContact CD2-CD1 4.47Å; L520-W546 HydrophobicContact CD2-CH2 3.72Å; L520-W546 HydrophobicContact CD2-CZ2 3.75Å; L520-I563 HydrophobicContact CB-CG2 4.3Å; L520-I563 HydrophobicContact CD1-CG2 4.45Å; L520-I564 HydrophobicContact CD1-CD1 4.05Å; L520-I564 HydrophobicContact CD1-CG1 3.95Å; L520-I564 HydrophobicContact CD2-CD1 4.05Å; L520-I564 HydrophobicContact CD2-CG1 3.9Å |
| 521 | H | 87.1 | Confident | 80.6 | Confident | 124 Ų | 124 | 56.1 Ų | 56.1 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -76.2 | -39.5 | 171.7 | -75.5 | -59.9 | 0 | 0 | 0 | 112 | S517 V518 Y519 | S517-H521 PolarHBondContact O-CD2 3.4Å; S517-H521 PolarHBondContact O-N 3.08Å; V518-H521 PolarHBondContact O-N 3.22Å; Y519-H521 VanDerWaalsContact C-N 3.31Å; Y519-H521 PolarHBondContact O-N 3.2Å |
| 522 | Q | 86.8 | Confident | 78.4 | Confident | 129 Ų | 129 | 61.5 Ų | 61.5 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -69.1 | -35.9 | 176.2 | -73.2 | 175.3 | -15 | 0 | 0 | 112.4 | V518 Y519 | V518-Q522 HydrophobicContact CG1-CG 4.39Å; V518-Q522 WeakPolarHBondContact O-CG 3.43Å; V518-Q522 PolarHBondContact O-N 3.49Å; Y519-Q522 PolarHBondContact O-N 3.12Å |
| 523 | N | 85.5 | Confident | 76.1 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 67.4 | 178.4 | -57.3 | -83 | 0 | 0 | 0 | 110.1 | T469 Y519 L520 I545 W546 | T469-N523 WeakPolarHBondContact CG2-OD1 3.39Å; Y519-N523 WeakPolarHBondContact CD2-ND2 3.3Å; Y519-N523 WeakPolarHBondContact CE2-ND2 3.38Å; Y519-N523 PolarHBondContact O-N 2.7Å; Y519-N523 PolarHBondContact O-ND2 3.36Å; L520-N523 CarbonylContact O-C 3.56Å; N523-I545 HydrophobicContact CB-CD1 3.41Å; N523-I545 VanDerWaalsContact CB-CD1 3.41Å; N523-I545 HydrophobicContact CB-CG1 4.4Å; N523-W546 HydrophobicContact CB-CZ2 4.37Å; N523-W546 WeakPolarHBondContact O-CZ2 3.31Å; N523-W546 PolarHBondContact O-NE1 3.25Å |
| 524 | S | 81.7 | Confident | 73.8 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | -64.4 | 139.3 | -174.5 | -169.3 | 0 | 0 | 0 | 0 | 112.9 | L520 K526 Q567 | L520-S524 WeakPolarHBondContact O-CA 3.33Å; L520-S524 PolarHBondContact O-N 3.35Å; S524-K526 VanDerWaalsContact C-N 3.27Å; S524-K526 WeakPolarHBondContact OG-CB 3.46Å; S524-K526 VanDerWaalsContact OG-CG 3.23Å; S524-K526 WeakPolarHBondContact OG-CG 3.35Å; S524-K526 PolarHBondContact OG-N 3.46Å; S524-Q567 PolarHBondContact OG-OE1 3.02Å | ||
| 525 | I | 81.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -81.6 | -9.8 | 172.1 | -57.6 | 166.3 | 0 | 0 | 0 | 111.1 | L520 W546 I551 I564 Q567 V568 R571 L604 | L520-I525 HydrophobicContact CD2-CD1 4.47Å; I525-W546 HydrophobicContact CD1-CD2 4.39Å; I525-W546 HydrophobicContact CD1-CZ2 4.42Å; I525-W546 HydrophobicContact CG1-CD2 3.91Å; I525-W546 HydrophobicContact CG1-CG 3.9Å; I525-W546 HydrophobicContact CG1-CZ2 4.17Å; I525-I551 HydrophobicContact CD1-CD1 3.95Å; I525-I564 HydrophobicContact CD1-CB 4.23Å; I525-I564 HydrophobicContact CD1-CG1 3.8Å; I525-I564 HydrophobicContact CD1-CG2 3.92Å; I525-Q567 HydrophobicContact CB-CB 4.02Å; I525-V568 HydrophobicContact CG2-CG2 3.8Å; I525-R571 PolarHBondContact O-NH1 3.43Å; I525-L604 HydrophobicContact CG2-CD1 3.59Å; I525-L604 HydrophobicContact CG2-CD2 4.5Å | ||
| 526 | K | 70.6 | Confident | 69.3 | Low | 80 Ų | 80 | 66.3 Ų | 66.3 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -57 | 149.2 | -177 | -72.3 | -179.8 | 175.9 | -121.3 | 0 | 112 | S524 Q567 E570 | S524-K526 VanDerWaalsContact C-N 3.27Å; S524-K526 WeakPolarHBondContact OG-CB 3.46Å; S524-K526 VanDerWaalsContact OG-CG 3.23Å; S524-K526 WeakPolarHBondContact OG-CG 3.35Å; S524-K526 PolarHBondContact OG-N 3.46Å; K526-Q567 HydrophobicContact CD-CG 4.48Å; K526-Q567 HydrophobicContact CG-CB 4.06Å; K526-Q567 HydrophobicContact CG-CG 3.72Å; K526-E570 WeakPolarHBondContact CE-OE2 3.49Å; K526-E570 IonicContact NZ-OE1 3.17Å; K526-E570 IonicContact NZ-OE2 3.51Å; K526-E570 PolarHBondContact NZ-OE2 3.32Å |
| 527 | F | 64.5 | Low | 67.1 | Low | 16 Ų | 16 | 68 Ų | 68 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | trans | -63.1 | 131.4 | 170.4 | -174.3 | -96.3 | 0 | 0 | 0 | 110.8 | Y529 R571 N574 L575 L578 E597 | F527-Y529 AromaticContact CD1-CD2 3.95Å; F527-Y529 HydrophobicContact CD1-CD2 3.95Å; F527-Y529 HydrophobicContact CD1-CE2 4.12Å; F527-Y529 HydrophobicContact CE1-CD1 4.33Å; F527-Y529 AromaticContact CE1-CD2 3.79Å; F527-Y529 HydrophobicContact CE1-CD2 3.79Å; F527-Y529 HydrophobicContact CE1-CE1 4.46Å; F527-Y529 AromaticContact CE1-CE2 3.94Å; F527-Y529 HydrophobicContact CE1-CE2 3.94Å; F527-Y529 AromaticContact CE1-CG 4Å; F527-Y529 HydrophobicContact CE1-CG 4Å; F527-R571 HydrophobicContact CB-CB 4.24Å; F527-R571 HydrophobicContact CB-CG 4.06Å; F527-R571 HydrophobicContact CD2-CG 4.29Å; F527-N574 HydrophobicContact CB-CB 4.14Å; F527-N574 HydrophobicContact CD1-CB 3.83Å; F527-N574 HydrophobicContact CE1-CB 4.45Å; F527-N574 HydrophobicContact CG-CB 3.89Å; F527-L575 HydrophobicContact CE2-CD2 4.34Å; F527-L578 HydrophobicContact CE1-CD1 4.34Å; F527-L578 HydrophobicContact CE2-CD1 3.44Å; F527-L578 VanDerWaalsContact CE2-CD1 3.44Å; F527-L578 HydrophobicContact CE2-CG 4.46Å; F527-L578 HydrophobicContact CZ-CD1 3.23Å; F527-L578 HydrophobicContact CZ-CD2 4.27Å; F527-L578 HydrophobicContact CZ-CG 3.9Å; F527-E597 WeakPolarHBondContact CD2-OE2 3.27Å; F527-E597 HydrophobicContact CE2-CG 4.02Å | ||
| 528 | I | 59.1 | Low | 65 | Low | 56 Ų | 56 | 70 Ų | 70 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | trans | -110.3 | 110.4 | 179.5 | -58.4 | 177.3 | 0 | 0 | 0 | 108.1 | M530 S539 Y593 | I528-M530 PolarHBondContact O-N 2.69Å; I528-S539 WeakPolarHBondContact CD1-O 3.34Å; I528-Y593 PolarHBondContact O-OH 3.39Å | ||
| 529 | Y | 55.5 | Low | 62.9 | Low | 128 Ų | 128 | 68.5 Ų | 68.5 | 50% | 0.502 | 36% | 0.364 | S | S | . | . | trans | -62.4 | 121 | 173.5 | -95.3 | -86.5 | 0 | 0 | 0 | 110.4 | F527 | F527-Y529 AromaticContact CD1-CD2 3.95Å; F527-Y529 HydrophobicContact CD1-CD2 3.95Å; F527-Y529 HydrophobicContact CD1-CE2 4.12Å; F527-Y529 HydrophobicContact CE1-CD1 4.33Å; F527-Y529 AromaticContact CE1-CD2 3.79Å; F527-Y529 HydrophobicContact CE1-CD2 3.79Å; F527-Y529 HydrophobicContact CE1-CE1 4.46Å; F527-Y529 AromaticContact CE1-CE2 3.94Å; F527-Y529 HydrophobicContact CE1-CE2 3.94Å; F527-Y529 AromaticContact CE1-CG 4Å; F527-Y529 HydrophobicContact CE1-CG 4Å | ||
| 530 | M | 50.2 | Low | 61 | Low | 42 Ų | 42 | 69 Ų | 69 | 21% | 0.207 | 37% | 0.368 | C | S | . | . | trans | -85.1 | 111.4 | 171.3 | -62 | -64.2 | -93.1 | 0 | 0 | 109.1 | I528 L536 S539 Y593 | I528-M530 PolarHBondContact O-N 2.69Å; M530-L536 VanDerWaalsContact CE-CA 3.46Å; M530-L536 HydrophobicContact CE-CB 4.31Å; M530-L536 HydrophobicContact CE-CD1 3.85Å; M530-L536 HydrophobicContact CE-CG 4Å; M530-S539 WeakPolarHBondContact CE-OG 3.3Å; M530-S539 PolarHBondContact SD-OG 3.05Å; M530-Y593 HydrophobicContact CG-CD2 4.12Å; M530-Y593 HydrophobicContact CG-CE1 4.19Å; M530-Y593 HydrophobicContact CG-CE2 3.53Å; M530-Y593 HydrophobicContact SD-CE2 4.4Å | ||
| 531 | N | 48.5 | Very low | 59.2 | Low | 131 Ų | 131 | 70.1 Ų | 70.1 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | trans | -72.5 | 141.3 | 157.4 | -88.5 | -11 | 0 | 0 | 0 | 108 | N533 T534 | N531-N533 PolarHBondContact O-N 2.81Å; N531-T534 PolarHBondContact O-N 3.16Å; N531-T534 PolarHBondContact O-OG1 3.41Å; N531-T534 VanDerWaalsContact O-OG1 3.11Å | ||
| 532 | S | 49 | Very low | 57.7 | Low | 118 Ų | 118 | 65.1 Ų | 65.1 | 83% | 0.825 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -10 | -170.4 | 56.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 533 | N | 43.9 | Very low | 56.8 | Low | 150 Ų | 150 | 59.1 Ų | 59.1 | 80% | 0.802 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 3.7 | -171.7 | -65.4 | 7.6 | 0 | 0 | 0 | 114.4 | N531 | N531-N533 PolarHBondContact O-N 2.81Š|
| 534 | T | 42.1 | Very low | 56 | Low | 73 Ų | 73 | 58.5 Ų | 58.5 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -101.6 | 131.2 | 176.3 | 39 | 0 | 0 | 0 | 0 | 111.8 | N531 L536 | N531-T534 PolarHBondContact O-N 3.16Å; N531-T534 PolarHBondContact O-OG1 3.41Å; N531-T534 VanDerWaalsContact O-OG1 3.11Å; T534-L536 PolarHBondContact O-N 2.83Å |
| 535 | D | 45.8 | Very low | 55.9 | Low | 126 Ų | 126 | 57.1 Ų | 57.1 | 67% | 0.674 | 32% | 0.317 | S | S | * | . | trans | -45.3 | 123.5 | 176.8 | -83.1 | -27.2 | 0 | 0 | 0 | 111.7 | I537 S538 | D535-I537 PolarHBondContact O-N 2.9Å; D535-S538 PolarHBondContact O-N 3.07Å; D535-S538 PolarHBondContact O-OG 2.69Å | ||
| 536 | L | 47.8 | Very low | 55.9 | Low | 76 Ų | 76 | 57.3 Ų | 57.3 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -49.7 | -32 | -176.9 | -143 | 88.9 | 0 | 0 | 0 | 113.3 | M530 T534 T540 | M530-L536 VanDerWaalsContact CE-CA 3.46Å; M530-L536 HydrophobicContact CE-CB 4.31Å; M530-L536 HydrophobicContact CE-CD1 3.85Å; M530-L536 HydrophobicContact CE-CG 4Å; T534-L536 PolarHBondContact O-N 2.83Å; L536-T540 WeakPolarHBondContact O-CG2 3.27Å; L536-T540 PolarHBondContact O-OG1 2.96Å |
| 537 | I | 45.7 | Very low | 56.1 | Low | 37 Ų | 37 | 54.1 Ų | 54.1 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -87.4 | -27.4 | -174.5 | -59.9 | 100.3 | 0 | 0 | 0 | 113 | R477 M481 D535 | R477-I537 HydrophobicContact CB-CG2 4.22Å; R477-I537 HydrophobicContact CG-CG2 3.74Å; M481-I537 HydrophobicContact CE-CB 3.95Å; M481-I537 HydrophobicContact CE-CD1 3.25Å; M481-I537 HydrophobicContact CE-CG1 3.53Å; M481-I537 HydrophobicContact CE-CG2 4.04Å; M481-I537 HydrophobicContact SD-CD1 3.71Å; M481-I537 HydrophobicContact SD-CG1 4.15Å; D535-I537 PolarHBondContact O-N 2.9Å |
| 538 | S | 47.6 | Very low | 56.6 | Low | 68 Ų | 68 | 54.5 Ų | 54.5 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -78 | -40.7 | -173.4 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | D535 S541 | D535-S538 PolarHBondContact O-N 3.07Å; D535-S538 PolarHBondContact O-OG 2.69Å; S538-S541 PolarHBondContact O-OG 2.57Å |
| 539 | S | 48.2 | Very low | 57.8 | Low | 31 Ų | 31 | 51.9 Ų | 51.9 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -82.6 | -28.5 | -175.1 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | I528 M530 S541 | I528-S539 WeakPolarHBondContact CD1-O 3.34Å; M530-S539 WeakPolarHBondContact CE-OG 3.3Å; M530-S539 PolarHBondContact SD-OG 3.05Å; S539-S541 PolarHBondContact O-N 2.91Å |
| 540 | T | 51.3 | Low | 59 | Low | 13 Ų | 13 | 47.8 Ų | 47.8 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -78.9 | -5.1 | -178.7 | 48 | 0 | 0 | 0 | 0 | 113.9 | L536 G542 S543 L544 Y593 | L536-T540 WeakPolarHBondContact O-CG2 3.27Å; L536-T540 PolarHBondContact O-OG1 2.96Å; T540-G542 VanDerWaalsContact C-N 3.33Å; T540-G542 PolarHBondContact O-N 3.43Å; T540-G542 VanDerWaalsContact O-N 3.08Å; T540-S543 PolarHBondContact O-N 3.24Å; T540-L544 WeakPolarHBondContact O-CG 3.41Å; T540-L544 PolarHBondContact O-N 3.2Å; T540-L544 VanDerWaalsContact O-N 3.1Å; T540-L544 WeakPolarHBondContact OG1-CD1 3.29Å; T540-Y593 HydrophobicContact CG2-CE2 4.28Å |
| 541 | S | 50 | Low | 60.6 | Low | 28 Ų | 28 | 47.1 Ų | 47.1 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -44.3 | -171.7 | -61.8 | 0 | 0 | 0 | 0 | 116.2 | N473 R477 S538 S539 | N473-S541 PolarHBondContact OD1-O 3.25Å; R477-S541 VanDerWaalsContact NH2-CB 3.32Å; R477-S541 PolarHBondContact NH2-OG 2.93Å; S538-S541 PolarHBondContact O-OG 2.57Å; S539-S541 PolarHBondContact O-N 2.91Å |
| 542 | G | 57.6 | Low | 62.2 | Low | 18 Ų | 18 | 42.3 Ų | 42.3 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -26.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T540 | T540-G542 VanDerWaalsContact C-N 3.33Å; T540-G542 PolarHBondContact O-N 3.43Å; T540-G542 VanDerWaalsContact O-N 3.08Å |
| 543 | S | 67.4 | Low | 63.9 | Low | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -23 | -177 | 179.4 | 0 | 0 | 0 | 0 | 113.4 | T540 I545 W546 R571 | T540-S543 PolarHBondContact O-N 3.24Å; S543-I545 VanDerWaalsContact C-N 3.26Å; S543-I545 PolarHBondContact O-N 2.73Å; S543-W546 PolarHBondContact O-N 2.56Å; S543-R571 VanDerWaalsContact OG-CZ 3.26Å; S543-R571 PolarHBondContact OG-NH1 3.34Å; S543-R571 PolarHBondContact OG-NH2 3.07Å |
| 544 | L | 69.1 | Low | 65.8 | Low | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -30.9 | -174.6 | -76.2 | 170 | 0 | 0 | 0 | 113.2 | T540 W546 Y547 | T540-L544 WeakPolarHBondContact O-CG 3.41Å; T540-L544 PolarHBondContact O-N 3.2Å; T540-L544 VanDerWaalsContact O-N 3.1Å; T540-L544 WeakPolarHBondContact OG1-CD1 3.29Å; L544-W546 PolarHBondContact O-N 3.31Å; L544-Y547 WeakPolarHBondContact O-CB 3.5Å; L544-Y547 PolarHBondContact O-N 3.28Å; L544-Y547 VanDerWaalsContact O-N 3.08Å |
| 545 | I | 79.6 | Confident | 68.1 | Low | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.3 | -37.1 | 178 | 64.7 | 168.2 | 0 | 0 | 0 | 112.1 | T469 N473 Y519 N523 S543 Y547 Y548 V549 | T469-I545 HydrophobicContact CG2-CD1 4.16Å; T469-I545 HydrophobicContact CG2-CG2 4.01Å; N473-I545 VanDerWaalsContact ND2-CG2 3.28Å; N473-I545 WeakPolarHBondContact ND2-CG2 3.41Å; N473-I545 WeakPolarHBondContact OD1-CG2 3.47Å; Y519-I545 WeakPolarHBondContact OH-CD1 3.38Å; N523-I545 HydrophobicContact CB-CD1 3.41Å; N523-I545 VanDerWaalsContact CB-CD1 3.41Å; N523-I545 HydrophobicContact CB-CG1 4.4Å; S543-I545 VanDerWaalsContact C-N 3.26Å; S543-I545 PolarHBondContact O-N 2.73Å; I545-Y547 PolarHBondContact O-N 2.71Å; I545-Y548 PolarHBondContact O-N 3.29Å; I545-V549 HydrophobicContact CB-CG2 4.5Å; I545-V549 WeakPolarHBondContact O-CB 3.32Å; I545-V549 VanDerWaalsContact O-CG2 3.27Å; I545-V549 WeakPolarHBondContact O-CG2 3.3Å; I545-V549 PolarHBondContact O-N 3.01Å |
| 546 | W | 81.3 | Confident | 70.2 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.4 | -11.8 | -174.7 | -56.6 | 115.4 | 0 | 0 | 0 | 112.7 | I508 Y519 L520 N523 I525 S543 L544 Y548 V549 I551 R603 | I508-W546 HydrophobicContact CD1-CH2 4.45Å; I508-W546 HydrophobicContact CD1-CZ3 4.44Å; Y519-W546 AromaticContact CE1-CH2 3.76Å; Y519-W546 HydrophobicContact CE1-CH2 3.76Å; Y519-W546 HydrophobicContact CE1-CZ2 4.05Å; L520-W546 HydrophobicContact CD2-CH2 3.72Å; L520-W546 HydrophobicContact CD2-CZ2 3.75Å; N523-W546 HydrophobicContact CB-CZ2 4.37Å; N523-W546 WeakPolarHBondContact O-CZ2 3.31Å; N523-W546 PolarHBondContact O-NE1 3.25Å; I525-W546 HydrophobicContact CD1-CD2 4.39Å; I525-W546 HydrophobicContact CD1-CZ2 4.42Å; I525-W546 HydrophobicContact CG1-CD2 3.91Å; I525-W546 HydrophobicContact CG1-CG 3.9Å; I525-W546 HydrophobicContact CG1-CZ2 4.17Å; S543-W546 PolarHBondContact O-N 2.56Å; L544-W546 PolarHBondContact O-N 3.31Å; W546-Y548 VanDerWaalsContact C-N 3.33Å; W546-V549 HydrophobicContact CE3-CB 4.49Å; W546-V549 HydrophobicContact CZ3-CG1 4.42Å; W546-I551 HydrophobicContact CD2-CD1 4.36Å; W546-I551 HydrophobicContact CE3-CD1 3.72Å; W546-I551 HydrophobicContact CE3-CG1 3.7Å; W546-I551 HydrophobicContact CZ3-CD1 4.03Å; W546-I551 HydrophobicContact CZ3-CG1 3.84Å; W546-R603 PolarHBondContact O-NE 2.74Å |
| 547 | Y | 73.4 | Confident | 72.3 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 167.9 | -167 | -91.4 | 0 | 0 | 0 | 111.9 | L544 I545 C599 L600 R603 W652 | L544-Y547 WeakPolarHBondContact O-CB 3.5Å; L544-Y547 PolarHBondContact O-N 3.28Å; L544-Y547 VanDerWaalsContact O-N 3.08Å; I545-Y547 PolarHBondContact O-N 2.71Å; Y547-C599 HydrophobicContact CE2-CB 4.15Å; Y547-L600 HydrophobicContact CD2-CD2 3.52Å; Y547-L600 HydrophobicContact CD2-CG 3.81Å; Y547-L600 HydrophobicContact CG-CD2 4.06Å; Y547-R603 PolarHBondContact O-NE 3.41Å; Y547-R603 PolarHBondContact O-NH1 3.18Å; Y547-R603 PolarHBondContact O-NH2 3.39Å; Y547-W652 HydrophobicContact CE1-CD2 4.08Å; Y547-W652 HydrophobicContact CE1-CE3 4.11Å; Y547-W652 HydrophobicContact CE1-CG 4.34Å; Y547-W652 HydrophobicContact CE2-CE3 4.35Å; Y547-W652 AromaticContact CZ-CE3 3.86Å; Y547-W652 VanDerWaalsContact OH-C 3.3Å; Y547-W652 WeakPolarHBondContact OH-CA 3.41Å; Y547-W652 WeakPolarHBondContact OH-CB 3.44Å; Y547-W652 PolarHBondContact OH-O 2.8Å |
| 548 | Y | 76.1 | Confident | 74.3 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -103 | -36.5 | -172 | -58.9 | -79.1 | 0 | 0 | 0 | 112.2 | A476 V497 S501 I545 W546 P550 R603 W652 | A476-Y548 HydrophobicContact CB-CD2 4.14Å; A476-Y548 HydrophobicContact CB-CE2 3.5Å; V497-Y548 HydrophobicContact CB-CD1 4.38Å; V497-Y548 HydrophobicContact CG1-CD1 3.23Å; V497-Y548 HydrophobicContact CG1-CD2 3.84Å; V497-Y548 HydrophobicContact CG1-CE1 3.78Å; V497-Y548 HydrophobicContact CG1-CE2 4.33Å; V497-Y548 HydrophobicContact CG1-CG 3.24Å; S501-Y548 WeakPolarHBondContact CB-O 3.45Å; S501-Y548 WeakPolarHBondContact OG-CB 3.4Å; I545-Y548 PolarHBondContact O-N 3.29Å; W546-Y548 VanDerWaalsContact C-N 3.33Å; Y548-P550 VanDerWaalsContact O-CD 3.27Å; Y548-P550 WeakPolarHBondContact O-CD 3.4Å; Y548-R603 PolarHBondContact O-NH2 3.19Å; Y548-W652 VanDerWaalsContact OH-CH2 3.31Å; Y548-W652 WeakPolarHBondContact OH-CH2 3.27Å; Y548-W652 WeakPolarHBondContact OH-CZ2 3.33Å |
| 549 | V | 82.9 | Confident | 76.3 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -78.5 | 117.8 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L504 I508 I545 W546 R603 | L504-V549 HydrophobicContact CB-CG2 4.47Å; L504-V549 HydrophobicContact CD2-CG2 3.61Å; L504-V549 HydrophobicContact CG-CG1 4.34Å; L504-V549 HydrophobicContact CG-CG2 4.15Å; I508-V549 HydrophobicContact CD1-CG1 4.13Å; I545-V549 HydrophobicContact CB-CG2 4.5Å; I545-V549 WeakPolarHBondContact O-CB 3.32Å; I545-V549 VanDerWaalsContact O-CG2 3.27Å; I545-V549 WeakPolarHBondContact O-CG2 3.3Å; I545-V549 PolarHBondContact O-N 3.01Å; W546-V549 HydrophobicContact CE3-CB 4.49Å; W546-V549 HydrophobicContact CZ3-CG1 4.42Å; V549-R603 PolarHBondContact O-NH2 2.89Å; V549-R603 VanDerWaalsContact O-NH2 3.09Å |
| 550 | P | 81.2 | Confident | 78.3 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | trans | -65.8 | 138.2 | 170.5 | -20.7 | 33.8 | 0 | 0 | 0 | 110 | S505 Y548 P552 R603 | S505-P550 WeakPolarHBondContact CB-O 2.84Å; S505-P550 PolarHBondContact OG-O 3.45Å; Y548-P550 VanDerWaalsContact O-CD 3.27Å; Y548-P550 WeakPolarHBondContact O-CD 3.4Å; P550-P552 VanDerWaalsContact O-CD 3.31Å; P550-P552 WeakPolarHBondContact O-CD 3.19Å; P550-R603 VanDerWaalsContact N-NH2 3.16Å | ||
| 551 | I | 83.8 | Confident | 80.1 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.138 | 23% | 0.226 | C | C | . | . | trans | -93.3 | 111.3 | 176.1 | -57.9 | -175.1 | 0 | 0 | 0 | 108.8 | I525 W546 I553 L556 I564 L604 | I525-I551 HydrophobicContact CD1-CD1 3.95Å; W546-I551 HydrophobicContact CD2-CD1 4.36Å; W546-I551 HydrophobicContact CE3-CD1 3.72Å; W546-I551 HydrophobicContact CE3-CG1 3.7Å; W546-I551 HydrophobicContact CZ3-CD1 4.03Å; W546-I551 HydrophobicContact CZ3-CG1 3.84Å; I551-I553 HydrophobicContact CG2-CB 4.32Å; I551-I553 PolarHBondContact O-N 3.42Å; I551-L556 HydrophobicContact CG2-CD1 3.99Å; I551-I564 HydrophobicContact CD1-CG2 4.41Å; I551-I564 HydrophobicContact CG2-CD1 3.98Å; I551-L604 HydrophobicContact CD1-CD2 3.38Å; I551-L604 HydrophobicContact CG1-CD2 4.28Å | ||
| 552 | P | 81.9 | Confident | 82 | Confident | 30 Ų | 30 | 46 Ų | 46 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | trans | -82.5 | 61.4 | 179.8 | 35.7 | -34.7 | 0 | 0 | 0 | 110 | S505 V509 P550 N554 R555 L556 | S505-P552 WeakPolarHBondContact O-CG 3.27Å; S505-P552 WeakPolarHBondContact OG-CD 3.13Å; V509-P552 HydrophobicContact CG2-CB 4.07Å; V509-P552 HydrophobicContact CG2-CG 3.35Å; P550-P552 VanDerWaalsContact O-CD 3.31Å; P550-P552 WeakPolarHBondContact O-CD 3.19Å; P552-N554 PolarHBondContact O-N 2.69Å; P552-R555 HydrophobicContact CB-CB 4.48Å; P552-R555 PolarHBondContact O-N 3.14Å; P552-L556 PolarHBondContact O-N 3.35Å | ||
| 553 | I | 84.6 | Confident | 83.5 | Confident | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.138 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -51.4 | -39.8 | -166.8 | -169.8 | 168.6 | 0 | 0 | 0 | 113.5 | I551 R555 L556 T561 C607 | I551-I553 HydrophobicContact CG2-CB 4.32Å; I551-I553 PolarHBondContact O-N 3.42Å; I553-R555 PolarHBondContact O-N 3.17Å; I553-R555 VanDerWaalsContact O-N 3.12Å; I553-L556 PolarHBondContact O-N 3.46Å; I553-L556 VanDerWaalsContact O-N 3.15Å; I553-T561 HydrophobicContact CG1-CG2 3.83Å; I553-T561 WeakPolarHBondContact O-CG2 3.32Å; I553-C607 HydrophobicContact CD1-CB 3.77Å; I553-C607 WeakPolarHBondContact CD1-O 3.5Å |
| 554 | N | 85.5 | Confident | 84.5 | Confident | 160 Ų | 160 | 45.9 Ų | 45.9 | 86% | 0.856 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -65.4 | -15.7 | -179.5 | -63.1 | -18.4 | 0 | 0 | 0 | 114.2 | P552 | P552-N554 PolarHBondContact O-N 2.69Š|
| 555 | R | 89.2 | Confident | 85.5 | Confident | 139 Ų | 139 | 47.5 Ų | 47.5 | 53% | 0.525 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -104.7 | -8.2 | 179.9 | -60.2 | -177.1 | 64.3 | -171.2 | -3.5 | 112.8 | V509 P552 I553 | V509-R555 HydrophobicContact CG1-CB 3.77Å; V509-R555 HydrophobicContact CG2-CB 3.89Å; P552-R555 HydrophobicContact CB-CB 4.48Å; P552-R555 PolarHBondContact O-N 3.14Å; I553-R555 PolarHBondContact O-N 3.17Å; I553-R555 VanDerWaalsContact O-N 3.12Å |
| 556 | L | 90.7 | Very high | 85.9 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -81.2 | 161.2 | 179 | -62.9 | 178.8 | 0 | 0 | 0 | 111.2 | I508 V509 I551 P552 I553 T561 I564 | I508-L556 HydrophobicContact CG2-CD2 3.98Å; V509-L556 HydrophobicContact CG2-CD2 4.22Å; I551-L556 HydrophobicContact CG2-CD1 3.99Å; P552-L556 PolarHBondContact O-N 3.35Å; I553-L556 PolarHBondContact O-N 3.46Å; I553-L556 VanDerWaalsContact O-N 3.15Å; L556-T561 HydrophobicContact CB-CG2 3.92Å; L556-I564 HydrophobicContact CD1-CD1 3.38Å |
| 557 | Q | 90.5 | Very high | 86.3 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | trans | -72.3 | 148.6 | 177.3 | -62 | -65.8 | -23.1 | 0 | 0 | 110.8 | P513 V559 S560 T561 | P513-Q557 HydrophobicContact CB-CB 4.47Å; P513-Q557 HydrophobicContact CB-CG 4.27Å; P513-Q557 HydrophobicContact CG-CG 3.99Å; Q557-V559 PolarHBondContact O-N 2.95Å; Q557-V559 VanDerWaalsContact O-N 3.14Å; Q557-S560 WeakPolarHBondContact O-CA 3.09Å; Q557-S560 VanDerWaalsContact O-CB 3.29Å; Q557-S560 WeakPolarHBondContact O-CB 3.39Å; Q557-S560 PolarHBondContact O-N 2.91Å; Q557-T561 PolarHBondContact O-N 2.92Å | ||
| 558 | K | 89.2 | Confident | 87 | Confident | 181 Ų | 181 | 53.3 Ų | 53.3 | 79% | 0.787 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -54.8 | -36.7 | -175.4 | -68.8 | -175.3 | 178.8 | -178.9 | 0 | 114.3 | T561 S562 | K558-T561 WeakPolarHBondContact CA-OG1 3.28Å; K558-T561 PolarHBondContact O-N 3.05Å; K558-T561 PolarHBondContact O-OG1 3.09Å; K558-S562 PolarHBondContact O-N 2.96Å |
| 559 | V | 88.6 | Confident | 87.5 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | Q557 T561 S562 I563 | Q557-V559 PolarHBondContact O-N 2.95Å; Q557-V559 VanDerWaalsContact O-N 3.14Å; V559-T561 PolarHBondContact O-N 2.99Å; V559-S562 PolarHBondContact O-N 3.23Å; V559-S562 PolarHBondContact O-OG 2.94Å; V559-I563 HydrophobicContact CG1-CD1 4.13Å; V559-I563 WeakPolarHBondContact O-CG1 3.31Å; V559-I563 PolarHBondContact O-N 3.26Å |
| 560 | S | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.8 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | Q516 Q557 S562 I563 I564 | Q516-S560 VanDerWaalsContact CB-OG 3.26Å; Q516-S560 WeakPolarHBondContact CB-OG 3.4Å; Q516-S560 PolarHBondContact OE1-OG 3.49Å; Q557-S560 WeakPolarHBondContact O-CA 3.09Å; Q557-S560 VanDerWaalsContact O-CB 3.29Å; Q557-S560 WeakPolarHBondContact O-CB 3.39Å; Q557-S560 PolarHBondContact O-N 2.91Å; S560-S562 VanDerWaalsContact C-N 3.35Å; S560-S562 PolarHBondContact O-N 3.37Å; S560-I563 PolarHBondContact O-N 2.8Å; S560-I564 VanDerWaalsContact O-CG1 3.28Å; S560-I564 WeakPolarHBondContact O-CG1 3.18Å; S560-I564 PolarHBondContact O-N 3.11Å |
| 561 | T | 90 | Very high | 87.9 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 15% | 0.153 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | I553 L556 Q557 K558 V559 I563 I564 E565 | I553-T561 HydrophobicContact CG1-CG2 3.83Å; I553-T561 WeakPolarHBondContact O-CG2 3.32Å; L556-T561 HydrophobicContact CB-CG2 3.92Å; Q557-T561 PolarHBondContact O-N 2.92Å; K558-T561 WeakPolarHBondContact CA-OG1 3.28Å; K558-T561 PolarHBondContact O-N 3.05Å; K558-T561 PolarHBondContact O-OG1 3.09Å; V559-T561 PolarHBondContact O-N 2.99Å; T561-I563 PolarHBondContact O-N 2.94Å; T561-I564 PolarHBondContact O-N 3.19Å; T561-E565 WeakPolarHBondContact O-CB 3.18Å; T561-E565 WeakPolarHBondContact O-CG 3.33Å; T561-E565 PolarHBondContact O-N 3.25Å |
| 562 | S | 89.5 | Confident | 87.9 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 44% | 0.441 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176.1 | 71.6 | 0 | 0 | 0 | 0 | 112.7 | K558 V559 S560 Q566 | K558-S562 PolarHBondContact O-N 2.96Å; V559-S562 PolarHBondContact O-N 3.23Å; V559-S562 PolarHBondContact O-OG 2.94Å; S560-S562 VanDerWaalsContact C-N 3.35Å; S560-S562 PolarHBondContact O-N 3.37Å; S562-Q566 WeakPolarHBondContact O-CB 3.31Å; S562-Q566 PolarHBondContact O-N 3.49Å |
| 563 | I | 88.1 | Confident | 88.1 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.9 | -66.8 | 166.5 | 0 | 0 | 0 | 110 | L520 V559 S560 T561 Q566 Q567 | L520-I563 HydrophobicContact CB-CG2 4.3Å; L520-I563 HydrophobicContact CD1-CG2 4.45Å; V559-I563 HydrophobicContact CG1-CD1 4.13Å; V559-I563 WeakPolarHBondContact O-CG1 3.31Å; V559-I563 PolarHBondContact O-N 3.26Å; S560-I563 PolarHBondContact O-N 2.8Å; T561-I563 PolarHBondContact O-N 2.94Å; I563-Q566 PolarHBondContact O-N 2.7Å; I563-Q567 HydrophobicContact CG2-CG 4.45Å; I563-Q567 VanDerWaalsContact CG2-NE2 3.28Å; I563-Q567 WeakPolarHBondContact O-CB 3.47Å; I563-Q567 VanDerWaalsContact O-CG 3.25Å; I563-Q567 WeakPolarHBondContact O-CG 3.47Å; I563-Q567 PolarHBondContact O-N 3.41Å |
| 564 | I | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 179.1 | -68.4 | 165.3 | 0 | 0 | 0 | 110.6 | L520 I525 I551 L556 S560 T561 Q566 Q567 V568 C607 | L520-I564 HydrophobicContact CD1-CD1 4.05Å; L520-I564 HydrophobicContact CD1-CG1 3.95Å; L520-I564 HydrophobicContact CD2-CD1 4.05Å; L520-I564 HydrophobicContact CD2-CG1 3.9Å; I525-I564 HydrophobicContact CD1-CB 4.23Å; I525-I564 HydrophobicContact CD1-CG1 3.8Å; I525-I564 HydrophobicContact CD1-CG2 3.92Å; I551-I564 HydrophobicContact CD1-CG2 4.41Å; I551-I564 HydrophobicContact CG2-CD1 3.98Å; L556-I564 HydrophobicContact CD1-CD1 3.38Å; S560-I564 VanDerWaalsContact O-CG1 3.28Å; S560-I564 WeakPolarHBondContact O-CG1 3.18Å; S560-I564 PolarHBondContact O-N 3.11Å; T561-I564 PolarHBondContact O-N 3.19Å; I564-Q566 VanDerWaalsContact C-N 3.29Å; I564-Q566 PolarHBondContact O-N 3.2Å; I564-Q567 PolarHBondContact O-N 2.97Å; I564-V568 HydrophobicContact CG2-CG2 4.03Å; I564-V568 WeakPolarHBondContact O-CB 3.39Å; I564-V568 VanDerWaalsContact O-CG2 3.25Å; I564-V568 WeakPolarHBondContact O-CG2 3.24Å; I564-V568 PolarHBondContact O-N 3.37Å; I564-C607 HydrophobicContact CG2-CB 4.07Å |
| 565 | E | 89.9 | Confident | 87.9 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 178.6 | -78.2 | -174.6 | -148.5 | 0 | 0 | 111.3 | T561 N569 C607 S609 H612 | T561-E565 WeakPolarHBondContact O-CB 3.18Å; T561-E565 WeakPolarHBondContact O-CG 3.33Å; T561-E565 PolarHBondContact O-N 3.25Å; E565-N569 WeakPolarHBondContact O-CB 3.34Å; E565-N569 PolarHBondContact O-N 3.16Å; E565-C607 WeakPolarHBondContact CG-O 3.42Å; E565-S609 WeakPolarHBondContact OE2-CB 3.24Å; E565-S609 PolarHBondContact OE2-OG 2.98Å; E565-H612 IonicContact OE2-CE1 2.76Å; E565-H612 IonicContact OE2-ND1 2.69Å |
| 566 | Q | 88.8 | Confident | 87.4 | Confident | 131 Ų | 131 | 43.1 Ų | 43.1 | 61% | 0.612 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.1 | -47.3 | 177.5 | -174.7 | -178.7 | -1.3 | 0 | 0 | 111.9 | S562 I563 I564 N569 E570 | S562-Q566 WeakPolarHBondContact O-CB 3.31Å; S562-Q566 PolarHBondContact O-N 3.49Å; I563-Q566 PolarHBondContact O-N 2.7Å; I564-Q566 VanDerWaalsContact C-N 3.29Å; I564-Q566 PolarHBondContact O-N 3.2Å; Q566-N569 PolarHBondContact O-N 3.34Å; Q566-E570 WeakPolarHBondContact O-CB 3.37Å; Q566-E570 PolarHBondContact O-N 3.31Å |
| 567 | Q | 89.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -38 | -178.7 | -68.1 | -175.1 | 23 | 0 | 0 | 112.6 | S524 I525 K526 I563 I564 R571 | S524-Q567 PolarHBondContact OG-OE1 3.02Å; I525-Q567 HydrophobicContact CB-CB 4.02Å; K526-Q567 HydrophobicContact CD-CG 4.48Å; K526-Q567 HydrophobicContact CG-CB 4.06Å; K526-Q567 HydrophobicContact CG-CG 3.72Å; I563-Q567 HydrophobicContact CG2-CG 4.45Å; I563-Q567 VanDerWaalsContact CG2-NE2 3.28Å; I563-Q567 WeakPolarHBondContact O-CB 3.47Å; I563-Q567 VanDerWaalsContact O-CG 3.25Å; I563-Q567 WeakPolarHBondContact O-CG 3.47Å; I563-Q567 PolarHBondContact O-N 3.41Å; I564-Q567 PolarHBondContact O-N 2.97Å; Q567-R571 WeakPolarHBondContact O-CB 3.29Å; Q567-R571 PolarHBondContact O-N 3.21Å |
| 568 | V | 87.8 | Confident | 86 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -42.8 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | I525 I564 R571 I572 L604 L608 | I525-V568 HydrophobicContact CG2-CG2 3.8Å; I564-V568 HydrophobicContact CG2-CG2 4.03Å; I564-V568 WeakPolarHBondContact O-CB 3.39Å; I564-V568 VanDerWaalsContact O-CG2 3.25Å; I564-V568 WeakPolarHBondContact O-CG2 3.24Å; I564-V568 PolarHBondContact O-N 3.37Å; V568-R571 PolarHBondContact O-N 3.32Å; V568-I572 HydrophobicContact CG1-CD1 3.77Å; V568-I572 WeakPolarHBondContact O-CG1 3.36Å; V568-I572 PolarHBondContact O-N 3.15Å; V568-L604 HydrophobicContact CG1-CB 4.03Å; V568-L604 HydrophobicContact CG2-CB 4.03Å; V568-L604 HydrophobicContact CG2-CD1 4.45Å; V568-L608 HydrophobicContact CB-CD2 3.98Å; V568-L608 HydrophobicContact CG1-CD1 4.33Å; V568-L608 HydrophobicContact CG1-CD2 3.76Å; V568-L608 HydrophobicContact CG1-CG 3.86Å |
| 569 | N | 87.3 | Confident | 85.1 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 176 | -171.4 | 24.1 | 0 | 0 | 0 | 111.2 | E565 Q566 R571 I572 L573 L608 H612 C616 | E565-N569 WeakPolarHBondContact O-CB 3.34Å; E565-N569 PolarHBondContact O-N 3.16Å; Q566-N569 PolarHBondContact O-N 3.34Å; N569-R571 VanDerWaalsContact C-N 3.27Å; N569-R571 PolarHBondContact O-N 3.08Å; N569-I572 PolarHBondContact O-N 3.07Å; N569-L573 WeakPolarHBondContact O-CB 3.45Å; N569-L573 VanDerWaalsContact O-CG 3.29Å; N569-L573 WeakPolarHBondContact O-CG 3.47Å; N569-L573 PolarHBondContact O-N 2.8Å; N569-L608 HydrophobicContact CB-CD2 4.24Å; N569-H612 PolarHBondContact ND2-CD2 3.28Å; N569-C616 PolarHBondContact OD1-SG 2.94Å |
| 570 | E | 86.2 | Confident | 84.1 | Confident | 67 Ų | 67 | 36.5 Ų | 36.5 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.2 | -41.9 | 174.4 | -173.8 | -178.7 | 170.5 | 0 | 0 | 111.7 | K526 Q566 N574 | K526-E570 WeakPolarHBondContact CE-OE2 3.49Å; K526-E570 IonicContact NZ-OE1 3.17Å; K526-E570 IonicContact NZ-OE2 3.51Å; K526-E570 PolarHBondContact NZ-OE2 3.32Å; Q566-E570 WeakPolarHBondContact O-CB 3.37Å; Q566-E570 PolarHBondContact O-N 3.31Å; E570-N574 WeakPolarHBondContact O-CB 3.39Å; E570-N574 VanDerWaalsContact O-CG 3.3Å; E570-N574 PolarHBondContact O-N 3.13Å; E570-N574 VanDerWaalsContact O-N 3.07Å; E570-N574 PolarHBondContact O-ND2 3.04Å; E570-N574 VanDerWaalsContact O-ND2 3.16Å |
| 571 | R | 86.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -48.5 | 177.3 | -177.5 | 176 | -144 | 152.4 | 6.6 | 112.9 | I525 F527 S543 Q567 V568 N569 N574 L575 E597 | I525-R571 PolarHBondContact O-NH1 3.43Å; F527-R571 HydrophobicContact CB-CB 4.24Å; F527-R571 HydrophobicContact CB-CG 4.06Å; F527-R571 HydrophobicContact CD2-CG 4.29Å; S543-R571 VanDerWaalsContact OG-CZ 3.26Å; S543-R571 PolarHBondContact OG-NH1 3.34Å; S543-R571 PolarHBondContact OG-NH2 3.07Å; Q567-R571 WeakPolarHBondContact O-CB 3.29Å; Q567-R571 PolarHBondContact O-N 3.21Å; V568-R571 PolarHBondContact O-N 3.32Å; N569-R571 VanDerWaalsContact C-N 3.27Å; N569-R571 PolarHBondContact O-N 3.08Å; R571-N574 PolarHBondContact O-N 3.45Å; R571-L575 PolarHBondContact O-N 2.9Å; R571-L575 VanDerWaalsContact O-N 3.1Å; R571-E597 IonicContact CZ-OE1 2.84Å; R571-E597 IonicContact CZ-OE2 2.68Å; R571-E597 IonicContact NE-OE2 3.22Å; R571-E597 PolarHBondContact NE-OE2 3.37Å; R571-E597 IonicContact NH2-OE1 3.18Å; R571-E597 PolarHBondContact NH2-OE1 2.83Å; R571-E597 IonicContact NH2-OE2 3.18Å; R571-E597 PolarHBondContact NH2-OE2 2.97Å |
| 572 | I | 83.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | -179.3 | -66.9 | 161.3 | 0 | 0 | 0 | 110.4 | V568 N569 N574 L575 D576 A601 F605 L608 C616 I619 I620 | V568-I572 HydrophobicContact CG1-CD1 3.77Å; V568-I572 WeakPolarHBondContact O-CG1 3.36Å; V568-I572 PolarHBondContact O-N 3.15Å; N569-I572 PolarHBondContact O-N 3.07Å; I572-N574 VanDerWaalsContact C-N 3.27Å; I572-N574 PolarHBondContact O-N 2.77Å; I572-L575 WeakPolarHBondContact O-CB 3.34Å; I572-L575 PolarHBondContact O-N 3.13Å; I572-L575 VanDerWaalsContact O-N 3.11Å; I572-D576 PolarHBondContact O-N 3.39Å; I572-A601 HydrophobicContact CG1-CB 4.15Å; I572-F605 HydrophobicContact CD1-CD2 4.28Å; I572-L608 HydrophobicContact CD1-CD1 3.69Å; I572-C616 HydrophobicContact CG2-CB 3.83Å; I572-I619 HydrophobicContact CG2-CB 3.94Å; I572-I619 HydrophobicContact CG2-CD1 4.1Å; I572-I619 HydrophobicContact CG2-CG2 3.79Å; I572-I619 WeakPolarHBondContact O-CG2 3.5Å; I572-I620 HydrophobicContact CD1-CD1 4.19Å; I572-I620 HydrophobicContact CG1-CD1 4.41Å; I572-I620 HydrophobicContact CG2-CD1 4.25Å; I572-I620 HydrophobicContact CG2-CG1 4.48Å |
| 573 | L | 84.8 | Confident | 79.7 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 42% | 0.419 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.2 | -35.3 | 176.9 | -67.8 | 173.3 | 0 | 0 | 0 | 112.7 | N569 D576 I619 | N569-L573 WeakPolarHBondContact O-CB 3.45Å; N569-L573 VanDerWaalsContact O-CG 3.29Å; N569-L573 WeakPolarHBondContact O-CG 3.47Å; N569-L573 PolarHBondContact O-N 2.8Å; L573-D576 PolarHBondContact O-N 3.3Å; L573-I619 HydrophobicContact CD2-CD1 3.86Å |
| 574 | N | 83.8 | Confident | 77.7 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.3 | -26.4 | 176.1 | -73.9 | -30.2 | 0 | 0 | 0 | 113.2 | F527 E570 R571 I572 D576 K577 L578 | F527-N574 HydrophobicContact CB-CB 4.14Å; F527-N574 HydrophobicContact CD1-CB 3.83Å; F527-N574 HydrophobicContact CE1-CB 4.45Å; F527-N574 HydrophobicContact CG-CB 3.89Å; E570-N574 WeakPolarHBondContact O-CB 3.39Å; E570-N574 VanDerWaalsContact O-CG 3.3Å; E570-N574 PolarHBondContact O-N 3.13Å; E570-N574 VanDerWaalsContact O-N 3.07Å; E570-N574 PolarHBondContact O-ND2 3.04Å; E570-N574 VanDerWaalsContact O-ND2 3.16Å; R571-N574 PolarHBondContact O-N 3.45Å; I572-N574 VanDerWaalsContact C-N 3.27Å; I572-N574 PolarHBondContact O-N 2.77Å; N574-D576 VanDerWaalsContact C-N 3.29Å; N574-D576 PolarHBondContact O-N 3.09Å; N574-K577 WeakPolarHBondContact O-CB 3.22Å; N574-K577 PolarHBondContact O-N 2.91Å; N574-K577 PolarHBondContact OD1-NZ 3.41Å; N574-L578 PolarHBondContact O-N 2.83Å |
| 575 | L | 81.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -32.2 | 173 | -81.1 | 166.7 | 0 | 0 | 0 | 112.8 | F527 R571 I572 K577 L578 F579 L594 E597 A601 I619 | F527-L575 HydrophobicContact CE2-CD2 4.34Å; R571-L575 PolarHBondContact O-N 2.9Å; R571-L575 VanDerWaalsContact O-N 3.1Å; I572-L575 WeakPolarHBondContact O-CB 3.34Å; I572-L575 PolarHBondContact O-N 3.13Å; I572-L575 VanDerWaalsContact O-N 3.11Å; L575-K577 VanDerWaalsContact C-N 3.26Å; L575-K577 PolarHBondContact O-N 2.84Å; L575-L578 HydrophobicContact CD2-CD1 3.79Å; L575-L578 WeakPolarHBondContact O-CB 3.2Å; L575-L578 PolarHBondContact O-N 3.2Å; L575-L578 VanDerWaalsContact O-N 3.1Å; L575-F579 VanDerWaalsContact O-CD2 3.22Å; L575-F579 WeakPolarHBondContact O-CD2 3.24Å; L575-F579 PolarHBondContact O-N 3.49Å; L575-L594 HydrophobicContact CD2-CD1 4.14Å; L575-E597 HydrophobicContact CD2-CB 3.7Å; L575-A601 HydrophobicContact CD1-CB 3.31Å; L575-I619 HydrophobicContact CB-CG2 4.47Å |
| 576 | D | 79.6 | Confident | 74 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 176.1 | -156.6 | 30.7 | 0 | 0 | 0 | 111.3 | I572 L573 N574 L578 F579 D580 I619 K622 | I572-D576 PolarHBondContact O-N 3.39Å; L573-D576 PolarHBondContact O-N 3.3Å; N574-D576 VanDerWaalsContact C-N 3.29Å; N574-D576 PolarHBondContact O-N 3.09Å; D576-L578 VanDerWaalsContact C-N 3.31Å; D576-L578 PolarHBondContact O-N 3.08Å; D576-F579 PolarHBondContact O-N 2.92Å; D576-D580 PolarHBondContact O-N 2.91Å; D576-I619 HydrophobicContact CB-CD1 3.8Å; D576-I619 HydrophobicContact CB-CG1 3.83Å; D576-I619 HydrophobicContact CB-CG2 4.16Å; D576-K622 WeakPolarHBondContact OD1-CD 3.39Å; D576-K622 WeakPolarHBondContact OD1-CE 3.23Å; D576-K622 IonicContact OD1-NZ 3.58Å; D576-K622 PolarHBondContact OD1-NZ 3.2Å |
| 577 | K | 78.4 | Confident | 72.5 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -33.9 | 176.2 | -57.9 | 174 | -175.5 | 162 | 0 | 112.6 | N574 L575 L581 | N574-K577 WeakPolarHBondContact O-CB 3.22Å; N574-K577 PolarHBondContact O-N 2.91Å; N574-K577 PolarHBondContact OD1-NZ 3.41Å; L575-K577 VanDerWaalsContact C-N 3.26Å; L575-K577 PolarHBondContact O-N 2.84Å; K577-L581 WeakPolarHBondContact O-CG 3.26Å; K577-L581 PolarHBondContact O-N 3.16Å |
| 578 | L | 72.9 | Confident | 71 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.3 | -41.6 | 176.9 | -76.5 | 178.3 | 0 | 0 | 0 | 112 | F527 N574 L575 D576 D580 L581 T582 L594 | F527-L578 HydrophobicContact CE1-CD1 4.34Å; F527-L578 HydrophobicContact CE2-CD1 3.44Å; F527-L578 VanDerWaalsContact CE2-CD1 3.44Å; F527-L578 HydrophobicContact CE2-CG 4.46Å; F527-L578 HydrophobicContact CZ-CD1 3.23Å; F527-L578 HydrophobicContact CZ-CD2 4.27Å; F527-L578 HydrophobicContact CZ-CG 3.9Å; N574-L578 PolarHBondContact O-N 2.83Å; L575-L578 HydrophobicContact CD2-CD1 3.79Å; L575-L578 WeakPolarHBondContact O-CB 3.2Å; L575-L578 PolarHBondContact O-N 3.2Å; L575-L578 VanDerWaalsContact O-N 3.1Å; D576-L578 VanDerWaalsContact C-N 3.31Å; D576-L578 PolarHBondContact O-N 3.08Å; L578-D580 PolarHBondContact O-N 3.39Å; L578-L581 HydrophobicContact CD2-CD1 4.44Å; L578-L581 PolarHBondContact O-N 3.01Å; L578-T582 PolarHBondContact O-N 2.99Å; L578-T582 PolarHBondContact O-OG1 3.06Å; L578-L594 HydrophobicContact CB-CD1 4.13Å; L578-L594 HydrophobicContact CD1-CD1 4.06Å |
| 579 | F | 71.2 | Confident | 69.6 | Low | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.088 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.2 | -39.4 | 175.6 | -78.7 | -60.3 | 0 | 0 | 0 | 111.5 | L575 D576 L581 T582 L594 V598 K622 F626 | L575-F579 VanDerWaalsContact O-CD2 3.22Å; L575-F579 WeakPolarHBondContact O-CD2 3.24Å; L575-F579 PolarHBondContact O-N 3.49Å; D576-F579 PolarHBondContact O-N 2.92Å; F579-L581 VanDerWaalsContact C-N 3.33Å; F579-L581 PolarHBondContact O-N 3.36Å; F579-T582 WeakPolarHBondContact CA-OG1 3.29Å; F579-T582 PolarHBondContact O-N 3.49Å; F579-T582 PolarHBondContact O-OG1 3.48Å; F579-T582 VanDerWaalsContact O-OG1 3.05Å; F579-L594 HydrophobicContact CD1-CD2 4.44Å; F579-L594 HydrophobicContact CE1-CD2 4.24Å; F579-V598 HydrophobicContact CE1-CG2 4.35Å; F579-V598 HydrophobicContact CE2-CG2 4.38Å; F579-V598 HydrophobicContact CZ-CG2 3.61Å; F579-K622 HydrophobicContact CD2-CB 4.17Å; F579-K622 HydrophobicContact CD2-CD 4.31Å; F579-K622 HydrophobicContact CE2-CB 4.14Å; F579-F626 HydrophobicContact CE1-CB 3.57Å; F579-F626 HydrophobicContact CE1-CD1 4.4Å; F579-F626 AromaticContact CE1-CD2 3.88Å; F579-F626 HydrophobicContact CE1-CD2 3.88Å; F579-F626 AromaticContact CE1-CG 3.69Å; F579-F626 HydrophobicContact CE1-CG 3.69Å; F579-F626 HydrophobicContact CZ-CB 3.96Å; F579-F626 HydrophobicContact CZ-CG 4.29Å |
| 580 | D | 67.6 | Low | 68.4 | Low | 92 Ų | 92 | 67 Ų | 67 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 177.1 | -63.3 | -20.1 | 0 | 0 | 0 | 112.1 | D576 L578 K622 | D576-D580 PolarHBondContact O-N 2.91Å; L578-D580 PolarHBondContact O-N 3.39Å; D580-K622 IonicContact OD1-NZ 2.65Å |
| 581 | L | 60.6 | Low | 67.4 | Low | 113 Ų | 113 | 65.7 Ų | 65.7 | 59% | 0.592 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74.4 | -38 | 177.6 | -71.1 | 165 | 0 | 0 | 0 | 113.1 | K577 L578 F579 N583 M584 | K577-L581 WeakPolarHBondContact O-CG 3.26Å; K577-L581 PolarHBondContact O-N 3.16Å; L578-L581 HydrophobicContact CD2-CD1 4.44Å; L578-L581 PolarHBondContact O-N 3.01Å; F579-L581 VanDerWaalsContact C-N 3.33Å; F579-L581 PolarHBondContact O-N 3.36Å; L581-N583 PolarHBondContact O-N 2.81Å; L581-M584 PolarHBondContact O-N 3.46Å; L581-M584 VanDerWaalsContact O-N 3.17Å |
| 582 | T | 58.3 | Low | 66.3 | Low | 33 Ų | 33 | 67.3 Ų | 67.3 | 20% | 0.202 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.3 | -13.5 | -177.1 | 46.4 | 0 | 0 | 0 | 0 | 114.7 | L578 F579 M584 V586 L594 | L578-T582 PolarHBondContact O-N 2.99Å; L578-T582 PolarHBondContact O-OG1 3.06Å; F579-T582 WeakPolarHBondContact CA-OG1 3.29Å; F579-T582 PolarHBondContact O-N 3.49Å; F579-T582 PolarHBondContact O-OG1 3.48Å; F579-T582 VanDerWaalsContact O-OG1 3.05Å; T582-M584 PolarHBondContact O-N 3.02Å; T582-M584 VanDerWaalsContact O-N 3.16Å; T582-V586 HydrophobicContact CG2-CG1 4.49Å; T582-V586 HydrophobicContact CG2-CG2 4.22Å; T582-V586 WeakPolarHBondContact O-CG2 3.49Å; T582-L594 HydrophobicContact CG2-CD2 3.74Å |
| 583 | N | 57.2 | Low | 65.5 | Low | 139 Ų | 139 | 68.3 Ų | 68.3 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.8 | 171 | -73.8 | -19.7 | 0 | 0 | 0 | 113.2 | L581 | L581-N583 PolarHBondContact O-N 2.81Š|
| 584 | M | 46.4 | Very low | 65 | Low | 157 Ų | 157 | 64.8 Ų | 64.8 | 77% | 0.773 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 39.3 | -170.5 | -61.3 | -156.3 | 107 | 0 | 0 | 115.8 | L581 T582 | L581-M584 PolarHBondContact O-N 3.46Å; L581-M584 VanDerWaalsContact O-N 3.17Å; T582-M584 PolarHBondContact O-N 3.02Å; T582-M584 VanDerWaalsContact O-N 3.16Å |
| 585 | T | 50.7 | Low | 64.4 | Low | 134 Ų | 134 | 63.9 Ų | 63.9 | 82% | 0.822 | 35% | 0.346 | S | S | * | . | trans | 87.2 | 119.6 | -178 | 74.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 586 | V | 50.5 | Low | 63.8 | Low | 51 Ų | 51 | 64.9 Ų | 64.9 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | trans | -123.1 | 129.2 | -171.1 | -161.3 | 0 | 0 | 0 | 0 | 110.5 | T582 Q590 I591 | T582-V586 HydrophobicContact CG2-CG1 4.49Å; T582-V586 HydrophobicContact CG2-CG2 4.22Å; T582-V586 WeakPolarHBondContact O-CG2 3.49Å; V586-Q590 HydrophobicContact CG1-CB 3.63Å; V586-I591 HydrophobicContact CB-CD1 4.39Å; V586-I591 HydrophobicContact CB-CG1 4.02Å; V586-I591 HydrophobicContact CG1-CD1 4.27Å; V586-I591 HydrophobicContact CG1-CG1 3.4Å; V586-I591 VanDerWaalsContact CG1-CG1 3.4Å | ||
| 587 | N | 57.2 | Low | 63.6 | Low | 110 Ų | 110 | 63.2 Ų | 63.2 | 59% | 0.588 | 34% | 0.342 | S | S | * | . | trans | -76.8 | 149.8 | 168.7 | -69.3 | -25.2 | 0 | 0 | 0 | 110.5 | S589 Q590 I591 | N587-S589 PolarHBondContact O-N 2.95Å; N587-S589 VanDerWaalsContact O-N 3.11Å; N587-Q590 HydrophobicContact CB-CG 4.43Å; N587-Q590 WeakPolarHBondContact O-CB 3.32Å; N587-Q590 PolarHBondContact O-N 3.1Å; N587-I591 PolarHBondContact O-N 2.98Å | ||
| 588 | S | 58.4 | Low | 63.5 | Low | 58 Ų | 58 | 58.1 Ų | 58.1 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -51.6 | -38.3 | -179.9 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | I591 T592 | S588-I591 PolarHBondContact O-N 2.67Å; S588-T592 PolarHBondContact O-N 3.43Å; S588-T592 PolarHBondContact O-OG1 2.91Å |
| 589 | S | 58.3 | Low | 63.5 | Low | 68 Ų | 68 | 57 Ų | 57 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 177 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | N587 T592 Y593 | N587-S589 PolarHBondContact O-N 2.95Å; N587-S589 VanDerWaalsContact O-N 3.11Å; S589-T592 PolarHBondContact O-N 3.26Å; S589-Y593 PolarHBondContact O-N 3.25Å; S589-Y593 VanDerWaalsContact O-N 3.14Å |
| 590 | Q | 62.5 | Low | 63.7 | Low | 91 Ų | 91 | 56.2 Ų | 56.2 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.8 | -35.3 | 177.1 | -71 | 173 | -23.4 | 0 | 0 | 111.2 | V586 N587 Y593 L594 | V586-Q590 HydrophobicContact CG1-CB 3.63Å; N587-Q590 HydrophobicContact CB-CG 4.43Å; N587-Q590 WeakPolarHBondContact O-CB 3.32Å; N587-Q590 PolarHBondContact O-N 3.1Å; Q590-Y593 PolarHBondContact O-N 2.92Å; Q590-L594 WeakPolarHBondContact O-CB 3.42Å; Q590-L594 PolarHBondContact O-N 3.03Å |
| 591 | I | 65.3 | Low | 64.2 | Low | 39 Ų | 39 | 51.9 Ų | 51.9 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 173.9 | -59.4 | 178.6 | 0 | 0 | 0 | 110.3 | V586 N587 S588 Y593 L594 L595 F626 Y630 V636 | V586-I591 HydrophobicContact CB-CD1 4.39Å; V586-I591 HydrophobicContact CB-CG1 4.02Å; V586-I591 HydrophobicContact CG1-CD1 4.27Å; V586-I591 HydrophobicContact CG1-CG1 3.4Å; V586-I591 VanDerWaalsContact CG1-CG1 3.4Å; N587-I591 PolarHBondContact O-N 2.98Å; S588-I591 PolarHBondContact O-N 2.67Å; I591-Y593 VanDerWaalsContact C-N 3.3Å; I591-Y593 PolarHBondContact O-N 2.83Å; I591-L594 PolarHBondContact O-N 2.7Å; I591-L595 VanDerWaalsContact O-CB 3.32Å; I591-L595 WeakPolarHBondContact O-CB 3.43Å; I591-L595 PolarHBondContact O-N 3.32Å; I591-F626 HydrophobicContact CG2-CZ 4.39Å; I591-Y630 HydrophobicContact CG2-CD2 3.99Å; I591-Y630 HydrophobicContact CG2-CE2 3.77Å; I591-V636 HydrophobicContact CD1-CG1 4.39Å |
| 592 | T | 62.9 | Low | 64.9 | Low | 36 Ų | 36 | 46.8 Ų | 46.8 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 178.7 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | S588 S589 L595 I596 L649 | S588-T592 PolarHBondContact O-N 3.43Å; S588-T592 PolarHBondContact O-OG1 2.91Å; S589-T592 PolarHBondContact O-N 3.26Å; T592-L595 WeakPolarHBondContact O-CB 3.36Å; T592-L595 PolarHBondContact O-N 3.34Å; T592-I596 HydrophobicContact CG2-CD1 4.36Å; T592-I596 WeakPolarHBondContact O-CG1 3.45Å; T592-I596 PolarHBondContact O-N 2.97Å; T592-I596 VanDerWaalsContact O-N 3.13Å; T592-L649 HydrophobicContact CG2-CD1 4.08Å; T592-L649 HydrophobicContact CG2-CD2 4.29Å |
| 593 | Y | 67.4 | Low | 65.6 | Low | 22 Ų | 22 | 47.7 Ų | 47.7 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -48.1 | 176.2 | 174.9 | -95.8 | 0 | 0 | 0 | 112.1 | I528 M530 T540 S589 Q590 I591 L595 I596 E597 | I528-Y593 PolarHBondContact O-OH 3.39Å; M530-Y593 HydrophobicContact CG-CD2 4.12Å; M530-Y593 HydrophobicContact CG-CE1 4.19Å; M530-Y593 HydrophobicContact CG-CE2 3.53Å; M530-Y593 HydrophobicContact SD-CE2 4.4Å; T540-Y593 HydrophobicContact CG2-CE2 4.28Å; S589-Y593 PolarHBondContact O-N 3.25Å; S589-Y593 VanDerWaalsContact O-N 3.14Å; Q590-Y593 PolarHBondContact O-N 2.92Å; I591-Y593 VanDerWaalsContact C-N 3.3Å; I591-Y593 PolarHBondContact O-N 2.83Å; Y593-L595 VanDerWaalsContact C-N 3.26Å; Y593-L595 PolarHBondContact O-N 3.08Å; Y593-I596 PolarHBondContact O-N 2.96Å; Y593-I596 VanDerWaalsContact O-N 3.15Å; Y593-E597 HydrophobicContact CD1-CG 4.39Å; Y593-E597 HydrophobicContact CE1-CG 3.81Å; Y593-E597 HydrophobicContact CE2-CG 4.16Å; Y593-E597 PolarHBondContact O-N 2.89Å |
| 594 | L | 73.4 | Confident | 66.8 | Low | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 176.9 | -178.5 | 63.5 | 0 | 0 | 0 | 111.1 | L575 L578 F579 T582 Q590 I591 I596 E597 V598 F626 | L575-L594 HydrophobicContact CD2-CD1 4.14Å; L578-L594 HydrophobicContact CB-CD1 4.13Å; L578-L594 HydrophobicContact CD1-CD1 4.06Å; F579-L594 HydrophobicContact CD1-CD2 4.44Å; F579-L594 HydrophobicContact CE1-CD2 4.24Å; T582-L594 HydrophobicContact CG2-CD2 3.74Å; Q590-L594 WeakPolarHBondContact O-CB 3.42Å; Q590-L594 PolarHBondContact O-N 3.03Å; I591-L594 PolarHBondContact O-N 2.7Å; L594-I596 PolarHBondContact O-N 3.26Å; L594-E597 PolarHBondContact O-N 2.95Å; L594-V598 HydrophobicContact CD1-CG2 4.22Å; L594-V598 HydrophobicContact CG-CG2 4.29Å; L594-V598 WeakPolarHBondContact O-CB 3.41Å; L594-V598 VanDerWaalsContact O-CG2 3.23Å; L594-V598 WeakPolarHBondContact O-CG2 3.18Å; L594-V598 PolarHBondContact O-N 3.43Å; L594-F626 HydrophobicContact CB-CZ 4.29Å; L594-F626 HydrophobicContact CD2-CD2 4.19Å; L594-F626 HydrophobicContact CD2-CE1 4.21Å; L594-F626 HydrophobicContact CD2-CE2 3.57Å; L594-F626 HydrophobicContact CD2-CZ 3.59Å; L594-F626 HydrophobicContact CG-CE1 4.09Å; L594-F626 HydrophobicContact CG-CE2 4.33Å; L594-F626 HydrophobicContact CG-CZ 3.88Å |
| 595 | L | 70.7 | Confident | 68.3 | Low | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 175.9 | 179 | 61.1 | 0 | 0 | 0 | 112.6 | I591 T592 Y593 V598 C599 F626 L627 Y630 L649 T653 | I591-L595 VanDerWaalsContact O-CB 3.32Å; I591-L595 WeakPolarHBondContact O-CB 3.43Å; I591-L595 PolarHBondContact O-N 3.32Å; T592-L595 WeakPolarHBondContact O-CB 3.36Å; T592-L595 PolarHBondContact O-N 3.34Å; Y593-L595 VanDerWaalsContact C-N 3.26Å; Y593-L595 PolarHBondContact O-N 3.08Å; L595-V598 PolarHBondContact O-N 3.12Å; L595-C599 WeakPolarHBondContact O-CB 3.33Å; L595-C599 PolarHBondContact O-N 3.12Å; L595-C599 PolarHBondContact O-SG 3.37Å; L595-C599 VanDerWaalsContact O-SG 3.36Å; L595-F626 HydrophobicContact CB-CE1 4.27Å; L595-F626 HydrophobicContact CD1-CE1 4.31Å; L595-L627 HydrophobicContact CD1-CD2 3.25Å; L595-Y630 HydrophobicContact CD1-CD1 4.24Å; L595-Y630 HydrophobicContact CD1-CG 4.42Å; L595-Y630 HydrophobicContact CD2-CD1 3.91Å; L595-Y630 HydrophobicContact CD2-CE1 3.48Å; L595-Y630 VanDerWaalsContact CD2-CE1 3.48Å; L595-Y630 HydrophobicContact CD2-CE2 4.12Å; L595-Y630 HydrophobicContact CD2-CG 4.41Å; L595-L649 HydrophobicContact CD2-CB 4.39Å; L595-L649 HydrophobicContact CD2-CD1 4.21Å; L595-L649 HydrophobicContact CD2-CD2 3.75Å; L595-L649 HydrophobicContact CD2-CG 4.33Å; L595-T653 HydrophobicContact CD1-CG2 4.06Å |
| 596 | I | 69.3 | Low | 69.5 | Low | 20 Ų | 20 | 30.8 Ų | 30.8 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.5 | -68.5 | 165.5 | 0 | 0 | 0 | 110.6 | T592 Y593 L594 V598 C599 L600 W652 | T592-I596 HydrophobicContact CG2-CD1 4.36Å; T592-I596 WeakPolarHBondContact O-CG1 3.45Å; T592-I596 PolarHBondContact O-N 2.97Å; T592-I596 VanDerWaalsContact O-N 3.13Å; Y593-I596 PolarHBondContact O-N 2.96Å; Y593-I596 VanDerWaalsContact O-N 3.15Å; L594-I596 PolarHBondContact O-N 3.26Å; I596-V598 PolarHBondContact O-N 3.48Å; I596-C599 PolarHBondContact O-N 2.94Å; I596-L600 HydrophobicContact CG2-CD1 3.98Å; I596-L600 WeakPolarHBondContact O-CB 3.31Å; I596-L600 VanDerWaalsContact O-CG 3.31Å; I596-L600 WeakPolarHBondContact O-CG 3.45Å; I596-L600 PolarHBondContact O-N 2.62Å; I596-W652 HydrophobicContact CD1-CZ3 4.4Å; I596-W652 HydrophobicContact CG1-CZ3 4.4Å |
| 597 | E | 76.6 | Confident | 71 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 179.8 | -71.6 | -62.7 | 134.4 | 0 | 0 | 112.6 | F527 R571 L575 Y593 L594 L600 A601 | F527-E597 WeakPolarHBondContact CD2-OE2 3.27Å; F527-E597 HydrophobicContact CE2-CG 4.02Å; R571-E597 IonicContact CZ-OE1 2.84Å; R571-E597 IonicContact CZ-OE2 2.68Å; R571-E597 IonicContact NE-OE2 3.22Å; R571-E597 PolarHBondContact NE-OE2 3.37Å; R571-E597 IonicContact NH2-OE1 3.18Å; R571-E597 PolarHBondContact NH2-OE1 2.83Å; R571-E597 IonicContact NH2-OE2 3.18Å; R571-E597 PolarHBondContact NH2-OE2 2.97Å; L575-E597 HydrophobicContact CD2-CB 3.7Å; Y593-E597 HydrophobicContact CD1-CG 4.39Å; Y593-E597 HydrophobicContact CE1-CG 3.81Å; Y593-E597 HydrophobicContact CE2-CG 4.16Å; Y593-E597 PolarHBondContact O-N 2.89Å; L594-E597 PolarHBondContact O-N 2.95Å; E597-L600 PolarHBondContact O-N 2.98Å; E597-A601 WeakPolarHBondContact O-CB 3.37Å; E597-A601 PolarHBondContact O-N 3.15Å |
| 598 | V | 76.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | F579 L594 L595 I596 L600 A601 L602 C623 F626 L627 | F579-V598 HydrophobicContact CE1-CG2 4.35Å; F579-V598 HydrophobicContact CE2-CG2 4.38Å; F579-V598 HydrophobicContact CZ-CG2 3.61Å; L594-V598 HydrophobicContact CD1-CG2 4.22Å; L594-V598 HydrophobicContact CG-CG2 4.29Å; L594-V598 WeakPolarHBondContact O-CB 3.41Å; L594-V598 VanDerWaalsContact O-CG2 3.23Å; L594-V598 WeakPolarHBondContact O-CG2 3.18Å; L594-V598 PolarHBondContact O-N 3.43Å; L595-V598 PolarHBondContact O-N 3.12Å; I596-V598 PolarHBondContact O-N 3.48Å; V598-L600 VanDerWaalsContact C-N 3.32Å; V598-L600 PolarHBondContact O-N 3.02Å; V598-A601 PolarHBondContact O-N 3.48Å; V598-L602 HydrophobicContact CG1-CD1 4.13Å; V598-L602 WeakPolarHBondContact O-CG 3.19Å; V598-L602 PolarHBondContact O-N 3.11Å; V598-C623 HydrophobicContact CG1-CB 3.79Å; V598-C623 WeakPolarHBondContact CG1-O 3.25Å; V598-F626 HydrophobicContact CB-CD1 4.32Å; V598-F626 HydrophobicContact CG1-CD1 4.27Å; V598-F626 HydrophobicContact CG2-CD1 3.94Å; V598-F626 HydrophobicContact CG2-CE1 4.37Å; V598-L627 HydrophobicContact CG1-CD1 4.1Å; V598-L627 HydrophobicContact CG1-CD2 3.94Å; V598-L627 HydrophobicContact CG1-CG 3.63Å |
| 599 | C | 72.2 | Confident | 73.4 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.9 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | Y547 L595 I596 R603 P656 | Y547-C599 HydrophobicContact CE2-CB 4.15Å; L595-C599 WeakPolarHBondContact O-CB 3.33Å; L595-C599 PolarHBondContact O-N 3.12Å; L595-C599 PolarHBondContact O-SG 3.37Å; L595-C599 VanDerWaalsContact O-SG 3.36Å; I596-C599 PolarHBondContact O-N 2.94Å; C599-R603 WeakPolarHBondContact O-CB 3.35Å; C599-R603 PolarHBondContact O-N 3.04Å; C599-R603 VanDerWaalsContact O-N 3.11Å; C599-P656 HydrophobicContact CB-CG 4.02Å |
| 600 | L | 75.4 | Confident | 74.3 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 175.9 | -78.3 | 173.2 | 0 | 0 | 0 | 112 | Y547 I596 E597 V598 L602 R603 L604 | Y547-L600 HydrophobicContact CD2-CD2 3.52Å; Y547-L600 HydrophobicContact CD2-CG 3.81Å; Y547-L600 HydrophobicContact CG-CD2 4.06Å; I596-L600 HydrophobicContact CG2-CD1 3.98Å; I596-L600 WeakPolarHBondContact O-CB 3.31Å; I596-L600 VanDerWaalsContact O-CG 3.31Å; I596-L600 WeakPolarHBondContact O-CG 3.45Å; I596-L600 PolarHBondContact O-N 2.62Å; E597-L600 PolarHBondContact O-N 2.98Å; V598-L600 VanDerWaalsContact C-N 3.32Å; V598-L600 PolarHBondContact O-N 3.02Å; L600-L602 VanDerWaalsContact C-N 3.35Å; L600-L602 PolarHBondContact O-N 3.23Å; L600-R603 PolarHBondContact O-N 2.96Å; L600-L604 WeakPolarHBondContact O-CB 2.96Å; L600-L604 WeakPolarHBondContact O-CG 3.14Å; L600-L604 PolarHBondContact O-N 3.38Å |
| 601 | A | 79.1 | Confident | 75 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I572 L575 E597 V598 L604 F605 | I572-A601 HydrophobicContact CG1-CB 4.15Å; L575-A601 HydrophobicContact CD1-CB 3.31Å; E597-A601 WeakPolarHBondContact O-CB 3.37Å; E597-A601 PolarHBondContact O-N 3.15Å; V598-A601 PolarHBondContact O-N 3.48Å; A601-L604 PolarHBondContact O-N 3.32Å; A601-F605 WeakPolarHBondContact O-CB 3.44Å; A601-F605 PolarHBondContact O-N 3.41Å |
| 602 | L | 74.3 | Confident | 75.7 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.2 | -40.4 | 178.6 | -67.3 | 174.5 | 0 | 0 | 0 | 112.4 | V598 L600 F605 I620 C623 I624 L627 V660 | V598-L602 HydrophobicContact CG1-CD1 4.13Å; V598-L602 WeakPolarHBondContact O-CG 3.19Å; V598-L602 PolarHBondContact O-N 3.11Å; L600-L602 VanDerWaalsContact C-N 3.35Å; L600-L602 PolarHBondContact O-N 3.23Å; L602-F605 WeakPolarHBondContact O-CB 3.28Å; L602-I620 HydrophobicContact CD2-CD1 4.1Å; L602-I620 HydrophobicContact CD2-CG2 3.7Å; L602-C623 HydrophobicContact CD1-CB 4.3Å; L602-C623 HydrophobicContact CD2-CB 3.87Å; L602-C623 HydrophobicContact CG-CB 4.14Å; L602-I624 HydrophobicContact CD1-CG1 4.3Å; L602-I624 HydrophobicContact CD2-CD1 4.5Å; L602-I624 HydrophobicContact CD2-CG1 3.9Å; L602-L627 HydrophobicContact CD1-CD1 3.19Å; L602-L627 HydrophobicContact CD1-CG 4.18Å; L602-V660 HydrophobicContact CB-CG2 3.95Å; L602-V660 HydrophobicContact CD1-CG2 3.62Å; L602-V660 HydrophobicContact CG-CG2 4.25Å |
| 603 | R | 74 | Confident | 76.4 | Confident | 52 Ų | 52 | 25.9 Ų | 25.9 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.4 | 178.8 | 178.7 | 167.8 | 124.4 | -0.4 | 111.6 | W546 Y547 Y548 V549 P550 C599 L600 F605 S606 | W546-R603 PolarHBondContact O-NE 2.74Å; Y547-R603 PolarHBondContact O-NE 3.41Å; Y547-R603 PolarHBondContact O-NH1 3.18Å; Y547-R603 PolarHBondContact O-NH2 3.39Å; Y548-R603 PolarHBondContact O-NH2 3.19Å; V549-R603 PolarHBondContact O-NH2 2.89Å; V549-R603 VanDerWaalsContact O-NH2 3.09Å; P550-R603 VanDerWaalsContact N-NH2 3.16Å; C599-R603 WeakPolarHBondContact O-CB 3.35Å; C599-R603 PolarHBondContact O-N 3.04Å; C599-R603 VanDerWaalsContact O-N 3.11Å; L600-R603 PolarHBondContact O-N 2.96Å; R603-F605 VanDerWaalsContact C-N 3.32Å; R603-F605 PolarHBondContact O-N 3.47Å; R603-S606 PolarHBondContact O-OG 2.78Å; R603-S606 VanDerWaalsContact O-OG 3.1Å |
| 604 | L | 81.2 | Confident | 76.5 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.1 | -18.9 | -177.1 | -68 | 170.3 | 0 | 0 | 0 | 113.4 | I525 I551 V568 L600 A601 S606 C607 | I525-L604 HydrophobicContact CG2-CD1 3.59Å; I525-L604 HydrophobicContact CG2-CD2 4.5Å; I551-L604 HydrophobicContact CD1-CD2 3.38Å; I551-L604 HydrophobicContact CG1-CD2 4.28Å; V568-L604 HydrophobicContact CG1-CB 4.03Å; V568-L604 HydrophobicContact CG2-CB 4.03Å; V568-L604 HydrophobicContact CG2-CD1 4.45Å; L600-L604 WeakPolarHBondContact O-CB 2.96Å; L600-L604 WeakPolarHBondContact O-CG 3.14Å; L600-L604 PolarHBondContact O-N 3.38Å; A601-L604 PolarHBondContact O-N 3.32Å; L604-S606 PolarHBondContact O-N 3.2Å; L604-S606 VanDerWaalsContact O-N 3.1Å; L604-C607 WeakPolarHBondContact O-CB 3.21Å; L604-C607 PolarHBondContact O-N 3.14Å |
| 605 | F | 78 | Confident | 76.7 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -54 | -34.5 | 179.8 | 179.6 | -86.8 | 0 | 0 | 0 | 113.3 | I572 A601 L602 R603 C607 L608 K613 C616 I620 W667 | I572-F605 HydrophobicContact CD1-CD2 4.28Å; A601-F605 WeakPolarHBondContact O-CB 3.44Å; A601-F605 PolarHBondContact O-N 3.41Å; L602-F605 WeakPolarHBondContact O-CB 3.28Å; R603-F605 VanDerWaalsContact C-N 3.32Å; R603-F605 PolarHBondContact O-N 3.47Å; F605-C607 PolarHBondContact O-N 3.13Å; F605-C607 VanDerWaalsContact O-N 3.08Å; F605-L608 HydrophobicContact CD2-CD1 4.05Å; F605-L608 HydrophobicContact CE2-CD1 4.27Å; F605-L608 WeakPolarHBondContact O-CB 3.36Å; F605-L608 PolarHBondContact O-N 3.05Å; F605-K613 HydrophobicContact CD1-CD 4.48Å; F605-K613 HydrophobicContact CD1-CG 4.4Å; F605-K613 HydrophobicContact CE1-CB 4.07Å; F605-K613 HydrophobicContact CE1-CD 3.62Å; F605-K613 HydrophobicContact CE1-CG 3.54Å; F605-K613 HydrophobicContact CE2-CB 4.13Å; F605-K613 HydrophobicContact CE2-CG 4.03Å; F605-K613 HydrophobicContact CZ-CB 3.48Å; F605-K613 VanDerWaalsContact CZ-CB 3.48Å; F605-K613 HydrophobicContact CZ-CD 3.97Å; F605-K613 HydrophobicContact CZ-CG 3.4Å; F605-K613 VanDerWaalsContact CZ-CG 3.4Å; F605-K613 VanDerWaalsContact O-CE 3.32Å; F605-K613 WeakPolarHBondContact O-CE 3.29Å; F605-C616 HydrophobicContact CE2-CB 4.41Å; F605-I620 HydrophobicContact CB-CD1 4.26Å; F605-I620 HydrophobicContact CD2-CD1 3.53Å; F605-I620 HydrophobicContact CD2-CG1 3.55Å; F605-I620 HydrophobicContact CE2-CD1 4.23Å; F605-I620 HydrophobicContact CE2-CG1 3.71Å; F605-I620 HydrophobicContact CG-CD1 4.19Å; F605-I620 HydrophobicContact CG-CG1 4.48Å; F605-W667 AromaticContact CD1-CH2 3.37Å; F605-W667 HydrophobicContact CD1-CH2 3.37Å; F605-W667 AromaticContact CD1-CZ2 3.06Å; F605-W667 HydrophobicContact CD1-CZ2 3.06Å; F605-W667 HydrophobicContact CD2-CH2 4.35Å; F605-W667 AromaticContact CE1-CE2 3.46Å; F605-W667 VanDerWaalsContact CE1-CE2 3.46Å; F605-W667 AromaticContact CE1-CH2 3.36Å; F605-W667 HydrophobicContact CE1-CH2 3.36Å; F605-W667 AromaticContact CE1-CZ2 2.79Å; F605-W667 HydrophobicContact CE1-CZ2 2.79Å; F605-W667 HydrophobicContact CE1-CZ3 4.44Å; F605-W667 AromaticContact CE1-NE1 3.96Å; F605-W667 HydrophobicContact CE2-CH2 4.29Å; F605-W667 HydrophobicContact CE2-CZ2 4.45Å; F605-W667 AromaticContact CG-CH2 3.88Å; F605-W667 HydrophobicContact CG-CH2 3.88Å; F605-W667 HydrophobicContact CG-CZ2 4.03Å; F605-W667 AromaticContact CZ-CH2 3.77Å; F605-W667 HydrophobicContact CZ-CH2 3.77Å; F605-W667 AromaticContact CZ-CZ2 3.54Å; F605-W667 HydrophobicContact CZ-CZ2 3.54Å |
| 606 | S | 75.7 | Confident | 77 | Confident | 68 Ų | 68 | 32.2 Ų | 32.2 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -54.7 | -27.8 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | R603 L604 L608 K613 | R603-S606 PolarHBondContact O-OG 2.78Å; R603-S606 VanDerWaalsContact O-OG 3.1Å; L604-S606 PolarHBondContact O-N 3.2Å; L604-S606 VanDerWaalsContact O-N 3.1Å; S606-L608 VanDerWaalsContact C-N 3.3Å; S606-L608 PolarHBondContact O-N 3.07Å; S606-K613 PolarHBondContact O-NZ 3.48Å |
| 607 | C | 83.4 | Confident | 77 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -74.6 | -12.5 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | I553 I564 E565 L604 F605 | I553-C607 HydrophobicContact CD1-CB 3.77Å; I553-C607 WeakPolarHBondContact CD1-O 3.5Å; I564-C607 HydrophobicContact CG2-CB 4.07Å; E565-C607 WeakPolarHBondContact CG-O 3.42Å; L604-C607 WeakPolarHBondContact O-CB 3.21Å; L604-C607 PolarHBondContact O-N 3.14Å; F605-C607 PolarHBondContact O-N 3.13Å; F605-C607 VanDerWaalsContact O-N 3.08Å |
| 608 | L | 82.8 | Confident | 76.8 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -78.8 | 145.3 | 178.8 | -67.8 | -178 | 0 | 0 | 0 | 111.8 | V568 N569 I572 F605 S606 H612 K613 | V568-L608 HydrophobicContact CB-CD2 3.98Å; V568-L608 HydrophobicContact CG1-CD1 4.33Å; V568-L608 HydrophobicContact CG1-CD2 3.76Å; V568-L608 HydrophobicContact CG1-CG 3.86Å; N569-L608 HydrophobicContact CB-CD2 4.24Å; I572-L608 HydrophobicContact CD1-CD1 3.69Å; F605-L608 HydrophobicContact CD2-CD1 4.05Å; F605-L608 HydrophobicContact CE2-CD1 4.27Å; F605-L608 WeakPolarHBondContact O-CB 3.36Å; F605-L608 PolarHBondContact O-N 3.05Å; S606-L608 VanDerWaalsContact C-N 3.3Å; S606-L608 PolarHBondContact O-N 3.07Å; L608-H612 HydrophobicContact CB-CB 4.15Å; L608-H612 HydrophobicContact CD1-CB 4.31Å; L608-H612 HydrophobicContact CD2-CB 4.12Å; L608-H612 HydrophobicContact CG-CB 4.44Å; L608-K613 HydrophobicContact CB-CG 3.6Å; L608-K613 WeakPolarHBondContact O-CD 3.45Å; L608-K613 WeakPolarHBondContact O-CE 3.39Å; L608-K613 PolarHBondContact O-NZ 2.97Å |
| 609 | S | 82.5 | Confident | 76.8 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | trans | -70.2 | 154.2 | 165.9 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | E565 P611 H612 K613 | E565-S609 WeakPolarHBondContact OE2-CB 3.24Å; E565-S609 PolarHBondContact OE2-OG 2.98Å; S609-P611 VanDerWaalsContact C-CD 3.41Å; S609-H612 PolarHBondContact O-N 3.44Å; S609-H612 PolarHBondContact OG-ND1 2.9Å; S609-K613 WeakPolarHBondContact O-CG 3.15Å; S609-K613 PolarHBondContact O-N 3.25Å | ||
| 610 | D | 76.9 | Confident | 76.8 | Confident | 111 Ų | 111 | 41.6 Ų | 41.6 | 59% | 0.594 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -48.4 | -41.6 | -178 | -69.8 | -32.1 | 0 | 0 | 0 | 116 | K613 N614 | D610-K613 PolarHBondContact O-N 2.97Å; D610-N614 VanDerWaalsContact O-CG 3.27Å; D610-N614 PolarHBondContact O-N 2.93Å; D610-N614 PolarHBondContact O-ND2 3.45Å |
| 611 | P | 78.3 | Confident | 76.5 | Confident | 88 Ų | 88 | 42 Ų | 42 | 57% | 0.571 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.1 | -43.3 | 176 | 24 | -34.4 | 0 | 0 | 0 | 112.5 | S609 N614 S615 | S609-P611 VanDerWaalsContact C-CD 3.41Å; P611-N614 WeakPolarHBondContact O-CB 3.43Å; P611-N614 PolarHBondContact O-N 3.44Å; P611-S615 PolarHBondContact O-N 2.84Å; P611-S615 VanDerWaalsContact O-N 3.12Å |
| 612 | H | 79.5 | Confident | 76.2 | Confident | 62 Ų | 62 | 44.4 Ų | 44.4 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.2 | -41 | 176.9 | -66.8 | 108.5 | 0 | 0 | 0 | 111.5 | E565 N569 L608 S609 N614 S615 C616 | E565-H612 IonicContact OE2-CE1 2.76Å; E565-H612 IonicContact OE2-ND1 2.69Å; N569-H612 PolarHBondContact ND2-CD2 3.28Å; L608-H612 HydrophobicContact CB-CB 4.15Å; L608-H612 HydrophobicContact CD1-CB 4.31Å; L608-H612 HydrophobicContact CD2-CB 4.12Å; L608-H612 HydrophobicContact CG-CB 4.44Å; S609-H612 PolarHBondContact O-N 3.44Å; S609-H612 PolarHBondContact OG-ND1 2.9Å; H612-N614 PolarHBondContact O-N 2.94Å; H612-S615 PolarHBondContact O-N 3.4Å; H612-S615 VanDerWaalsContact O-N 3.1Å; H612-S615 PolarHBondContact O-OG 3.29Å; H612-C616 PolarHBondContact O-N 3.03Å; H612-C616 VanDerWaalsContact O-N 3.11Å |
| 613 | K | 76.4 | Confident | 76.2 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53 | -44.6 | 172.4 | -74.1 | -176 | 163.9 | 133.2 | 0 | 111.3 | F605 S606 L608 S609 D610 C616 K617 | F605-K613 HydrophobicContact CD1-CD 4.48Å; F605-K613 HydrophobicContact CD1-CG 4.4Å; F605-K613 HydrophobicContact CE1-CB 4.07Å; F605-K613 HydrophobicContact CE1-CD 3.62Å; F605-K613 HydrophobicContact CE1-CG 3.54Å; F605-K613 HydrophobicContact CE2-CB 4.13Å; F605-K613 HydrophobicContact CE2-CG 4.03Å; F605-K613 HydrophobicContact CZ-CB 3.48Å; F605-K613 VanDerWaalsContact CZ-CB 3.48Å; F605-K613 HydrophobicContact CZ-CD 3.97Å; F605-K613 HydrophobicContact CZ-CG 3.4Å; F605-K613 VanDerWaalsContact CZ-CG 3.4Å; F605-K613 VanDerWaalsContact O-CE 3.32Å; F605-K613 WeakPolarHBondContact O-CE 3.29Å; S606-K613 PolarHBondContact O-NZ 3.48Å; L608-K613 HydrophobicContact CB-CG 3.6Å; L608-K613 WeakPolarHBondContact O-CD 3.45Å; L608-K613 WeakPolarHBondContact O-CE 3.39Å; L608-K613 PolarHBondContact O-NZ 2.97Å; S609-K613 WeakPolarHBondContact O-CG 3.15Å; S609-K613 PolarHBondContact O-N 3.25Å; D610-K613 PolarHBondContact O-N 2.97Å; K613-C616 PolarHBondContact O-N 3.33Å; K613-K617 WeakPolarHBondContact O-CG 3.34Å; K613-K617 PolarHBondContact O-N 3.45Å |
| 614 | N | 70.5 | Confident | 75.9 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 177 | -70.7 | -28.3 | 0 | 0 | 0 | 112.7 | D610 P611 H612 C616 K617 | D610-N614 VanDerWaalsContact O-CG 3.27Å; D610-N614 PolarHBondContact O-N 2.93Å; D610-N614 PolarHBondContact O-ND2 3.45Å; P611-N614 WeakPolarHBondContact O-CB 3.43Å; P611-N614 PolarHBondContact O-N 3.44Å; H612-N614 PolarHBondContact O-N 2.94Å; N614-C616 VanDerWaalsContact C-N 3.26Å; N614-C616 PolarHBondContact O-N 2.61Å; N614-K617 PolarHBondContact O-N 3.43Å; N614-K617 WeakPolarHBondContact OD1-CE 3.36Å; N614-K617 PolarHBondContact OD1-NZ 3.29Å |
| 615 | S | 76.9 | Confident | 75.1 | Confident | 72 Ų | 72 | 43.8 Ų | 43.8 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -31.2 | 179.5 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | P611 H612 | P611-S615 PolarHBondContact O-N 2.84Å; P611-S615 VanDerWaalsContact O-N 3.12Å; H612-S615 PolarHBondContact O-N 3.4Å; H612-S615 VanDerWaalsContact O-N 3.1Å; H612-S615 PolarHBondContact O-OG 3.29Å |
| 616 | C | 77.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -93.5 | -3.7 | -176.4 | -72.4 | 0 | 0 | 0 | 0 | 114.4 | N569 I572 F605 H612 K613 N614 R618 I619 I620 | N569-C616 PolarHBondContact OD1-SG 2.94Å; I572-C616 HydrophobicContact CG2-CB 3.83Å; F605-C616 HydrophobicContact CE2-CB 4.41Å; H612-C616 PolarHBondContact O-N 3.03Å; H612-C616 VanDerWaalsContact O-N 3.11Å; K613-C616 PolarHBondContact O-N 3.33Å; N614-C616 VanDerWaalsContact C-N 3.26Å; N614-C616 PolarHBondContact O-N 2.61Å; C616-R618 VanDerWaalsContact C-N 3.32Å; C616-R618 PolarHBondContact O-N 3.01Å; C616-I619 PolarHBondContact O-N 3.38Å; C616-I620 HydrophobicContact CB-CG1 4.39Å; C616-I620 WeakPolarHBondContact O-CG1 3.47Å; C616-I620 PolarHBondContact O-N 3.18Å; C616-I620 VanDerWaalsContact O-N 3.08Å |
| 617 | K | 70 | Confident | 74.5 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 22% | 0.217 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -49.1 | -49.4 | -172.6 | -80.2 | 176.5 | 179.1 | 168.1 | 0 | 113.4 | K613 N614 I619 I620 V621 I674 | K613-K617 WeakPolarHBondContact O-CG 3.34Å; K613-K617 PolarHBondContact O-N 3.45Å; N614-K617 PolarHBondContact O-N 3.43Å; N614-K617 WeakPolarHBondContact OD1-CE 3.36Å; N614-K617 PolarHBondContact OD1-NZ 3.29Å; K617-I619 VanDerWaalsContact C-N 3.32Å; K617-I619 PolarHBondContact O-N 3.02Å; K617-I620 PolarHBondContact O-N 2.82Å; K617-V621 WeakPolarHBondContact O-CB 3.39Å; K617-V621 VanDerWaalsContact O-CG2 3.27Å; K617-V621 WeakPolarHBondContact O-CG2 3.35Å; K617-V621 PolarHBondContact O-N 3.27Å; K617-I674 VanDerWaalsContact NZ-CD1 3.29Å |
| 618 | R | 72 | Confident | 73.5 | Confident | 169 Ų | 169 | 42.4 Ų | 42.4 | 64% | 0.638 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59.9 | -41.4 | -177.9 | -177.7 | -179.3 | 175.7 | -173.7 | -2.8 | 112.5 | C616 I620 V621 K622 | C616-R618 VanDerWaalsContact C-N 3.32Å; C616-R618 PolarHBondContact O-N 3.01Å; R618-I620 VanDerWaalsContact C-N 3.35Å; R618-V621 WeakPolarHBondContact O-CB 3.48Å; R618-V621 PolarHBondContact O-N 2.67Å; R618-K622 PolarHBondContact O-N 2.97Å |
| 619 | I | 76.3 | Confident | 72.5 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.5 | -38.5 | -178.6 | -55.2 | 168.4 | 0 | 0 | 0 | 110 | I572 L573 L575 D576 C616 K617 V621 K622 C623 | I572-I619 HydrophobicContact CG2-CB 3.94Å; I572-I619 HydrophobicContact CG2-CD1 4.1Å; I572-I619 HydrophobicContact CG2-CG2 3.79Å; I572-I619 WeakPolarHBondContact O-CG2 3.5Å; L573-I619 HydrophobicContact CD2-CD1 3.86Å; L575-I619 HydrophobicContact CB-CG2 4.47Å; D576-I619 HydrophobicContact CB-CD1 3.8Å; D576-I619 HydrophobicContact CB-CG1 3.83Å; D576-I619 HydrophobicContact CB-CG2 4.16Å; C616-I619 PolarHBondContact O-N 3.38Å; K617-I619 VanDerWaalsContact C-N 3.32Å; K617-I619 PolarHBondContact O-N 3.02Å; I619-V621 VanDerWaalsContact C-N 3.34Å; I619-K622 WeakPolarHBondContact O-CB 3.22Å; I619-K622 PolarHBondContact O-N 3.41Å; I619-C623 PolarHBondContact O-N 3.27Å; I619-C623 PolarHBondContact O-SG 2.93Å |
| 620 | I | 72.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 177.4 | -65.2 | -68.7 | 0 | 0 | 0 | 111.5 | I572 L602 F605 C616 K617 R618 C623 I624 W667 | I572-I620 HydrophobicContact CD1-CD1 4.19Å; I572-I620 HydrophobicContact CG1-CD1 4.41Å; I572-I620 HydrophobicContact CG2-CD1 4.25Å; I572-I620 HydrophobicContact CG2-CG1 4.48Å; L602-I620 HydrophobicContact CD2-CD1 4.1Å; L602-I620 HydrophobicContact CD2-CG2 3.7Å; F605-I620 HydrophobicContact CB-CD1 4.26Å; F605-I620 HydrophobicContact CD2-CD1 3.53Å; F605-I620 HydrophobicContact CD2-CG1 3.55Å; F605-I620 HydrophobicContact CE2-CD1 4.23Å; F605-I620 HydrophobicContact CE2-CG1 3.71Å; F605-I620 HydrophobicContact CG-CD1 4.19Å; F605-I620 HydrophobicContact CG-CG1 4.48Å; C616-I620 HydrophobicContact CB-CG1 4.39Å; C616-I620 WeakPolarHBondContact O-CG1 3.47Å; C616-I620 PolarHBondContact O-N 3.18Å; C616-I620 VanDerWaalsContact O-N 3.08Å; K617-I620 PolarHBondContact O-N 2.82Å; R618-I620 VanDerWaalsContact C-N 3.35Å; I620-C623 VanDerWaalsContact O-CB 3.3Å; I620-C623 WeakPolarHBondContact O-CB 3.4Å; I620-C623 PolarHBondContact O-N 2.86Å; I620-I624 HydrophobicContact CG2-CD1 4.08Å; I620-I624 VanDerWaalsContact O-CG1 3.32Å; I620-I624 WeakPolarHBondContact O-CG1 3.46Å; I620-I624 PolarHBondContact O-N 3.29Å; I620-W667 HydrophobicContact CB-CZ3 4.43Å; I620-W667 HydrophobicContact CG2-CE3 4.39Å; I620-W667 HydrophobicContact CG2-CH2 3.66Å; I620-W667 HydrophobicContact CG2-CZ3 3.26Å |
| 621 | V | 69.3 | Low | 70.8 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 170.6 | 164.4 | 0 | 0 | 0 | 0 | 110.5 | K617 R618 I619 C623 I624 H625 L671 P683 D684 I687 | K617-V621 WeakPolarHBondContact O-CB 3.39Å; K617-V621 VanDerWaalsContact O-CG2 3.27Å; K617-V621 WeakPolarHBondContact O-CG2 3.35Å; K617-V621 PolarHBondContact O-N 3.27Å; R618-V621 WeakPolarHBondContact O-CB 3.48Å; R618-V621 PolarHBondContact O-N 2.67Å; I619-V621 VanDerWaalsContact C-N 3.34Å; V621-C623 PolarHBondContact O-N 3.29Å; V621-I624 PolarHBondContact O-N 3Å; V621-H625 WeakPolarHBondContact O-CB 3.38Å; V621-H625 PolarHBondContact O-N 3.17Å; V621-L671 HydrophobicContact CG2-CD2 3.94Å; V621-P683 HydrophobicContact CG1-CB 4.5Å; V621-D684 WeakPolarHBondContact CG1-OD1 3.26Å; V621-I687 HydrophobicContact CB-CD1 4.2Å; V621-I687 HydrophobicContact CG1-CD1 3.15Å; V621-I687 WeakPolarHBondContact O-CD1 3.48Å |
| 622 | K | 71.5 | Confident | 69.6 | Low | 53 Ų | 53 | 40.1 Ų | 40.1 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 171.3 | -70 | -178.3 | 174.6 | -176.8 | 0 | 112.4 | D576 F579 D580 R618 I619 H625 F626 | D576-K622 WeakPolarHBondContact OD1-CD 3.39Å; D576-K622 WeakPolarHBondContact OD1-CE 3.23Å; D576-K622 IonicContact OD1-NZ 3.58Å; D576-K622 PolarHBondContact OD1-NZ 3.2Å; F579-K622 HydrophobicContact CD2-CB 4.17Å; F579-K622 HydrophobicContact CD2-CD 4.31Å; F579-K622 HydrophobicContact CE2-CB 4.14Å; D580-K622 IonicContact OD1-NZ 2.65Å; R618-K622 PolarHBondContact O-N 2.97Å; I619-K622 WeakPolarHBondContact O-CB 3.22Å; I619-K622 PolarHBondContact O-N 3.41Å; K622-H625 PolarHBondContact O-N 2.93Å; K622-F626 WeakPolarHBondContact O-CB 3.29Å; K622-F626 PolarHBondContact O-N 3.42Å |
| 623 | C | 74.4 | Confident | 68.4 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 177.1 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | V598 L602 I619 I620 V621 F626 L627 | V598-C623 HydrophobicContact CG1-CB 3.79Å; V598-C623 WeakPolarHBondContact CG1-O 3.25Å; L602-C623 HydrophobicContact CD1-CB 4.3Å; L602-C623 HydrophobicContact CD2-CB 3.87Å; L602-C623 HydrophobicContact CG-CB 4.14Å; I619-C623 PolarHBondContact O-N 3.27Å; I619-C623 PolarHBondContact O-SG 2.93Å; I620-C623 VanDerWaalsContact O-CB 3.3Å; I620-C623 WeakPolarHBondContact O-CB 3.4Å; I620-C623 PolarHBondContact O-N 2.86Å; V621-C623 PolarHBondContact O-N 3.29Å; C623-F626 PolarHBondContact O-N 2.92Å; C623-L627 PolarHBondContact O-N 3.29Å |
| 624 | I | 68.2 | Low | 67.1 | Low | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 177.5 | -68.8 | 169.3 | 0 | 0 | 0 | 109.4 | L602 I620 V621 F626 L627 L628 V660 L664 W667 I687 | L602-I624 HydrophobicContact CD1-CG1 4.3Å; L602-I624 HydrophobicContact CD2-CD1 4.5Å; L602-I624 HydrophobicContact CD2-CG1 3.9Å; I620-I624 HydrophobicContact CG2-CD1 4.08Å; I620-I624 VanDerWaalsContact O-CG1 3.32Å; I620-I624 WeakPolarHBondContact O-CG1 3.46Å; I620-I624 PolarHBondContact O-N 3.29Å; V621-I624 PolarHBondContact O-N 3Å; I624-F626 VanDerWaalsContact C-N 3.33Å; I624-F626 PolarHBondContact O-N 3.12Å; I624-L627 PolarHBondContact O-N 2.96Å; I624-L628 HydrophobicContact CG2-CD1 3.67Å; I624-L628 HydrophobicContact CG2-CG 4.19Å; I624-L628 WeakPolarHBondContact O-CB 3.41Å; I624-L628 WeakPolarHBondContact O-CG 3.16Å; I624-L628 PolarHBondContact O-N 3.44Å; I624-V660 HydrophobicContact CD1-CG1 4.31Å; I624-V660 HydrophobicContact CG1-CG1 4.13Å; I624-L664 HydrophobicContact CD1-CD2 3.94Å; I624-L664 HydrophobicContact CD1-CG 4.3Å; I624-W667 HydrophobicContact CD1-CZ3 4.24Å; I624-I687 HydrophobicContact CG2-CG2 4.01Å |
| 625 | H | 65.1 | Low | 65.8 | Low | 44 Ų | 44 | 41 Ų | 41 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 177 | -170.5 | 58.3 | 0 | 0 | 0 | 112.7 | V621 K622 L628 Q629 I687 D690 | V621-H625 WeakPolarHBondContact O-CB 3.38Å; V621-H625 PolarHBondContact O-N 3.17Å; K622-H625 PolarHBondContact O-N 2.93Å; H625-L628 WeakPolarHBondContact O-CB 3.39Å; H625-L628 PolarHBondContact O-N 2.98Å; H625-Q629 PolarHBondContact CE1-NE2 2.9Å; H625-Q629 PolarHBondContact NE2-NE2 3.34Å; H625-Q629 WeakPolarHBondContact O-CB 3.24Å; H625-Q629 WeakPolarHBondContact O-CG 3.38Å; H625-Q629 PolarHBondContact O-N 2.87Å; H625-I687 HydrophobicContact CB-CD1 3.95Å; H625-I687 HydrophobicContact CB-CG1 3.7Å; H625-D690 IonicContact CE1-OD2 3.96Å; H625-D690 IonicContact ND1-OD2 3.59Å |
| 626 | F | 71.6 | Confident | 64.1 | Low | 33 Ų | 33 | 39.8 Ų | 39.8 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.6 | 176.3 | -95.9 | 0 | 0 | 0 | 112.5 | F579 I591 L594 L595 V598 K622 C623 I624 L628 Q629 Y630 | F579-F626 HydrophobicContact CE1-CB 3.57Å; F579-F626 HydrophobicContact CE1-CD1 4.4Å; F579-F626 AromaticContact CE1-CD2 3.88Å; F579-F626 HydrophobicContact CE1-CD2 3.88Å; F579-F626 AromaticContact CE1-CG 3.69Å; F579-F626 HydrophobicContact CE1-CG 3.69Å; F579-F626 HydrophobicContact CZ-CB 3.96Å; F579-F626 HydrophobicContact CZ-CG 4.29Å; I591-F626 HydrophobicContact CG2-CZ 4.39Å; L594-F626 HydrophobicContact CB-CZ 4.29Å; L594-F626 HydrophobicContact CD2-CD2 4.19Å; L594-F626 HydrophobicContact CD2-CE1 4.21Å; L594-F626 HydrophobicContact CD2-CE2 3.57Å; L594-F626 HydrophobicContact CD2-CZ 3.59Å; L594-F626 HydrophobicContact CG-CE1 4.09Å; L594-F626 HydrophobicContact CG-CE2 4.33Å; L594-F626 HydrophobicContact CG-CZ 3.88Å; L595-F626 HydrophobicContact CB-CE1 4.27Å; L595-F626 HydrophobicContact CD1-CE1 4.31Å; V598-F626 HydrophobicContact CB-CD1 4.32Å; V598-F626 HydrophobicContact CG1-CD1 4.27Å; V598-F626 HydrophobicContact CG2-CD1 3.94Å; V598-F626 HydrophobicContact CG2-CE1 4.37Å; K622-F626 WeakPolarHBondContact O-CB 3.29Å; K622-F626 PolarHBondContact O-N 3.42Å; C623-F626 PolarHBondContact O-N 2.92Å; I624-F626 VanDerWaalsContact C-N 3.33Å; I624-F626 PolarHBondContact O-N 3.12Å; F626-L628 VanDerWaalsContact C-N 3.3Å; F626-L628 PolarHBondContact O-N 2.69Å; F626-Q629 PolarHBondContact O-N 2.91Å; F626-Y630 WeakPolarHBondContact O-CB 3.19Å; F626-Y630 PolarHBondContact O-N 3.45Å |
| 627 | L | 68.2 | Low | 62.5 | Low | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.3 | -75.7 | -175.9 | 0 | 0 | 0 | 112.3 | L595 V598 L602 C623 I624 Y630 H631 T653 | L595-L627 HydrophobicContact CD1-CD2 3.25Å; V598-L627 HydrophobicContact CG1-CD1 4.1Å; V598-L627 HydrophobicContact CG1-CD2 3.94Å; V598-L627 HydrophobicContact CG1-CG 3.63Å; L602-L627 HydrophobicContact CD1-CD1 3.19Å; L602-L627 HydrophobicContact CD1-CG 4.18Å; C623-L627 PolarHBondContact O-N 3.29Å; I624-L627 PolarHBondContact O-N 2.96Å; L627-Y630 PolarHBondContact O-N 3.4Å; L627-H631 WeakPolarHBondContact O-CB 3.34Å; L627-H631 PolarHBondContact O-CD2 3.39Å; L627-H631 VanDerWaalsContact O-CD2 3.28Å; L627-H631 PolarHBondContact O-N 3.27Å; L627-T653 HydrophobicContact CD2-CG2 4.48Å |
| 628 | L | 62.6 | Low | 60.9 | Low | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 179 | -73 | 173.9 | 0 | 0 | 0 | 111.6 | I624 H625 F626 Y630 H631 L632 I687 D690 L691 L694 | I624-L628 HydrophobicContact CG2-CD1 3.67Å; I624-L628 HydrophobicContact CG2-CG 4.19Å; I624-L628 WeakPolarHBondContact O-CB 3.41Å; I624-L628 WeakPolarHBondContact O-CG 3.16Å; I624-L628 PolarHBondContact O-N 3.44Å; H625-L628 WeakPolarHBondContact O-CB 3.39Å; H625-L628 PolarHBondContact O-N 2.98Å; F626-L628 VanDerWaalsContact C-N 3.3Å; F626-L628 PolarHBondContact O-N 2.69Å; L628-Y630 VanDerWaalsContact C-N 3.33Å; L628-Y630 PolarHBondContact O-N 2.89Å; L628-H631 PolarHBondContact O-N 2.91Å; L628-L632 WeakPolarHBondContact O-CB 3.3Å; L628-L632 VanDerWaalsContact O-CG 3.31Å; L628-L632 WeakPolarHBondContact O-CG 3.44Å; L628-L632 PolarHBondContact O-N 3.32Å; L628-I687 HydrophobicContact CD1-CG2 4.03Å; L628-D690 HydrophobicContact CB-CB 3.78Å; L628-D690 HydrophobicContact CD1-CB 3.81Å; L628-D690 HydrophobicContact CD2-CB 4.26Å; L628-D690 HydrophobicContact CG-CB 4.15Å; L628-L691 HydrophobicContact CD1-CD2 4.07Å; L628-L691 HydrophobicContact CD1-CG 3.79Å; L628-L691 HydrophobicContact CD2-CD2 3.99Å; L628-L691 HydrophobicContact CD2-CG 4.34Å; L628-L694 HydrophobicContact CD2-CB 4.31Å; L628-L694 HydrophobicContact CD2-CD1 3.2Å; L628-L694 HydrophobicContact CD2-CG 3.63Å |
| 629 | Q | 63.6 | Low | 59.2 | Low | 93 Ų | 93 | 45.3 Ų | 45.3 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -44.8 | 175.3 | -75.1 | -173.3 | -25 | 0 | 0 | 111.4 | H625 F626 H631 L632 T633 | H625-Q629 PolarHBondContact CE1-NE2 2.9Å; H625-Q629 PolarHBondContact NE2-NE2 3.34Å; H625-Q629 WeakPolarHBondContact O-CB 3.24Å; H625-Q629 WeakPolarHBondContact O-CG 3.38Å; H625-Q629 PolarHBondContact O-N 2.87Å; F626-Q629 PolarHBondContact O-N 2.91Å; Q629-H631 VanDerWaalsContact C-N 3.31Å; Q629-H631 PolarHBondContact O-N 3.44Å; Q629-L632 PolarHBondContact O-N 3.22Å; Q629-T633 WeakPolarHBondContact O-CB 3.47Å; Q629-T633 PolarHBondContact O-N 2.89Å; Q629-T633 PolarHBondContact O-OG1 3.37Å |
| 630 | Y | 64.2 | Low | 57.3 | Low | 20 Ų | 20 | 45.6 Ų | 45.6 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 178 | -175 | -91.4 | 0 | 0 | 0 | 112.2 | I591 L595 F626 L627 L628 V636 | I591-Y630 HydrophobicContact CG2-CD2 3.99Å; I591-Y630 HydrophobicContact CG2-CE2 3.77Å; L595-Y630 HydrophobicContact CD1-CD1 4.24Å; L595-Y630 HydrophobicContact CD1-CG 4.42Å; L595-Y630 HydrophobicContact CD2-CD1 3.91Å; L595-Y630 HydrophobicContact CD2-CE1 3.48Å; L595-Y630 VanDerWaalsContact CD2-CE1 3.48Å; L595-Y630 HydrophobicContact CD2-CE2 4.12Å; L595-Y630 HydrophobicContact CD2-CG 4.41Å; F626-Y630 WeakPolarHBondContact O-CB 3.19Å; F626-Y630 PolarHBondContact O-N 3.45Å; L627-Y630 PolarHBondContact O-N 3.4Å; L628-Y630 VanDerWaalsContact C-N 3.33Å; L628-Y630 PolarHBondContact O-N 2.89Å; Y630-V636 HydrophobicContact CE2-CG1 4.15Å |
| 631 | H | 58.7 | Low | 55.7 | Low | 26 Ų | 26 | 50.1 Ų | 50.1 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74 | -35.9 | 179 | -89.7 | -67.1 | 0 | 0 | 0 | 114.9 | L627 L628 Q629 T633 T653 L694 | L627-H631 WeakPolarHBondContact O-CB 3.34Å; L627-H631 PolarHBondContact O-CD2 3.39Å; L627-H631 VanDerWaalsContact O-CD2 3.28Å; L627-H631 PolarHBondContact O-N 3.27Å; L628-H631 PolarHBondContact O-N 2.91Å; Q629-H631 VanDerWaalsContact C-N 3.31Å; Q629-H631 PolarHBondContact O-N 3.44Å; H631-T633 VanDerWaalsContact C-N 3.3Å; H631-T653 PolarHBondContact CE1-OG1 3.19Å; H631-T653 WeakPolarHBondContact NE2-CB 3.48Å; H631-T653 PolarHBondContact NE2-OG1 2.96Å; H631-L694 HydrophobicContact CB-CD2 3.87Å |
| 632 | L | 53.2 | Low | 54 | Low | 52 Ų | 52 | 54.1 Ų | 54.1 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.5 | -20 | 179.6 | -68.5 | 169.6 | 0 | 0 | 0 | 112.4 | L628 Q629 D634 D690 R693 | L628-L632 WeakPolarHBondContact O-CB 3.3Å; L628-L632 VanDerWaalsContact O-CG 3.31Å; L628-L632 WeakPolarHBondContact O-CG 3.44Å; L628-L632 PolarHBondContact O-N 3.32Å; Q629-L632 PolarHBondContact O-N 3.22Å; L632-D634 PolarHBondContact O-N 3.43Å; L632-D690 HydrophobicContact CD1-CB 3.52Å; L632-D690 VanDerWaalsContact CD1-CG 3.45Å; L632-D690 VanDerWaalsContact CD1-OD1 3.22Å; L632-D690 WeakPolarHBondContact CD1-OD1 3.28Å; L632-R693 HydrophobicContact CD2-CB 3.81Å |
| 633 | T | 55 | Low | 52.3 | Low | 63 Ų | 63 | 55.6 Ų | 55.6 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | trans | -91.7 | 83.5 | 177.1 | -38.5 | 0 | 0 | 0 | 0 | 109.4 | Q629 H631 A635 V636 | Q629-T633 WeakPolarHBondContact O-CB 3.47Å; Q629-T633 PolarHBondContact O-N 2.89Å; Q629-T633 PolarHBondContact O-OG1 3.37Å; H631-T633 VanDerWaalsContact C-N 3.3Å; T633-A635 HydrophobicContact CG2-CB 4.07Å; T633-A635 PolarHBondContact O-N 3.15Å; T633-V636 HydrophobicContact CG2-CG2 4.36Å; T633-V636 PolarHBondContact O-N 2.94Å | ||
| 634 | D | 48.8 | Very low | 50.6 | Low | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -23.2 | 172.8 | -76 | -36.8 | 0 | 0 | 0 | 112.2 | L632 V636 I637 Y697 | L632-D634 PolarHBondContact O-N 3.43Å; D634-V636 PolarHBondContact O-N 2.9Å; D634-I637 PolarHBondContact O-N 3.27Å; D634-Y697 PolarHBondContact OD1-OH 3.4Å; D634-Y697 VanDerWaalsContact OD1-OH 3.09Å |
| 635 | A | 42.4 | Very low | 49.1 | Very low | 60 Ų | 60 | 63.4 Ų | 63.4 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.3 | -20.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | T633 | T633-A635 HydrophobicContact CG2-CB 4.07Å; T633-A635 PolarHBondContact O-N 3.15Å |
| 636 | V | 40.9 | Very low | 47.9 | Very low | 47 Ų | 47 | 62.1 Ų | 62.1 | 29% | 0.285 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -84.2 | -18.2 | 179.6 | -177 | 0 | 0 | 0 | 0 | 111.7 | I591 Y630 T633 D634 C640 | I591-V636 HydrophobicContact CD1-CG1 4.39Å; Y630-V636 HydrophobicContact CE2-CG1 4.15Å; T633-V636 HydrophobicContact CG2-CG2 4.36Å; T633-V636 PolarHBondContact O-N 2.94Å; D634-V636 PolarHBondContact O-N 2.9Å; V636-C640 PolarHBondContact O-N 3.21Å |
| 637 | I | 43.4 | Very low | 46.4 | Very low | 31 Ų | 31 | 63.4 Ų | 63.4 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.8 | -35.1 | 178.7 | -80.9 | 165.1 | 0 | 0 | 0 | 111.9 | D634 | D634-I637 PolarHBondContact O-N 3.27Å |
| 638 | E | 37 | Very low | 45.3 | Very low | 164 Ų | 164 | 64.1 Ų | 64.1 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -78.6 | -29.2 | 179 | -71 | -173.4 | 156.6 | 0 | 0 | 113.5 | ||
| 639 | N | 36.3 | Very low | 44.3 | Very low | 141 Ų | 141 | 64.6 Ų | 64.6 | 75% | 0.754 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -92.1 | 1.2 | -177.3 | -81.1 | -22.8 | 0 | 0 | 0 | 114.6 | S641 | N639-S641 PolarHBondContact O-N 3.47Š|
| 640 | C | 36.8 | Very low | 43.5 | Very low | 12 Ų | 12 | 62.6 Ų | 62.6 | 8% | 0.081 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -66.9 | 124.2 | 156.7 | -76.6 | 0 | 0 | 0 | 0 | 107.2 | V636 H642 | V636-C640 PolarHBondContact O-N 3.21Å; C640-H642 CarbonylContact O-C 3.49Å; C640-H642 PolarHBondContact O-N 3.04Å |
| 641 | S | 37.9 | Very low | 42.7 | Very low | 96 Ų | 96 | 68.4 Ų | 68.4 | 67% | 0.671 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -58.2 | 7.9 | 175.4 | 49.2 | 0 | 0 | 0 | 0 | 114.9 | N639 | N639-S641 PolarHBondContact O-N 3.47Š|
| 642 | H | 35.2 | Very low | 42.1 | Very low | 93 Ų | 93 | 68.7 Ų | 68.7 | 43% | 0.431 | 37% | 0.373 | S | S | . | . | trans | -134.8 | 91.7 | 175.5 | -59 | -54.3 | 0 | 0 | 0 | 108.9 | C640 H644 S645 | C640-H642 CarbonylContact O-C 3.49Å; C640-H642 PolarHBondContact O-N 3.04Å; H642-H644 PolarHBondContact O-N 2.94Å; H642-S645 PolarHBondContact O-N 3.43Å; H642-S645 PolarHBondContact O-OG 3.38Å | ||
| 643 | P | 35.1 | Very low | 41.9 | Very low | 85 Ų | 85 | 66.3 Ų | 66.3 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -56.6 | -18 | -179 | 18.4 | -30.6 | 0 | 0 | 0 | 113.8 | S646 | P643-S646 PolarHBondContact O-OG 2.96Š|
| 644 | H | 37.7 | Very low | 41.5 | Very low | 133 Ų | 133 | 67.4 Ų | 67.4 | 62% | 0.616 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -88.2 | -4.8 | 178.2 | -56.2 | -62 | 0 | 0 | 0 | 115.5 | K482 H642 S646 | K482-H644 WeakPolarHBondContact CD-O 3.48Å; K482-H644 WeakPolarHBondContact CE-O 3.45Å; K482-H644 PolarHBondContact NZ-O 3.17Å; H642-H644 PolarHBondContact O-N 2.94Å; H644-S646 VanDerWaalsContact C-N 3.27Å |
| 645 | S | 38.2 | Very low | 41.6 | Very low | 36 Ų | 36 | 68.2 Ų | 68.2 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -74.9 | -18.4 | 171.6 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | H642 L649 | H642-S645 PolarHBondContact O-N 3.43Å; H642-S645 PolarHBondContact O-OG 3.38Å; S645-L649 PolarHBondContact O-N 2.95Å |
| 646 | S | 39.7 | Very low | 41.9 | Very low | 17 Ų | 17 | 65.6 Ų | 65.6 | 12% | 0.119 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73 | -47.1 | -170.7 | 62.9 | 0 | 0 | 0 | 0 | 114.9 | P643 H644 F648 L649 K650 | P643-S646 PolarHBondContact O-OG 2.96Å; H644-S646 VanDerWaalsContact C-N 3.27Å; S646-F648 VanDerWaalsContact C-N 3.25Å; S646-F648 PolarHBondContact O-N 3.35Å; S646-L649 PolarHBondContact O-N 3.3Å; S646-K650 WeakPolarHBondContact O-CG 3.27Å; S646-K650 PolarHBondContact O-N 3.42Å; S646-K650 VanDerWaalsContact O-N 3.08Å |
| 647 | T | 40.4 | Very low | 42.2 | Very low | 60 Ų | 60 | 65.1 Ų | 65.1 | 37% | 0.368 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.4 | -32.2 | 178.9 | -19.6 | 0 | 0 | 0 | 0 | 111.4 | K650 F651 | T647-K650 WeakPolarHBondContact O-CB 3.23Å; T647-K650 PolarHBondContact O-N 2.94Å; T647-F651 HydrophobicContact CG2-CE2 4.21Å; T647-F651 WeakPolarHBondContact O-CD2 3.2Å; T647-F651 PolarHBondContact O-N 2.9Å; T647-F651 VanDerWaalsContact O-N 3.1Å |
| 648 | F | 43.3 | Very low | 42.6 | Very low | 24 Ų | 24 | 65.9 Ų | 65.9 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.3 | -45.5 | 179.5 | -116.9 | -99.2 | 0 | 0 | 0 | 112.9 | L479 K482 S490 S646 K650 F651 W652 | L479-F648 HydrophobicContact CD2-CE1 3.98Å; L479-F648 HydrophobicContact CD2-CZ 3.96Å; K482-F648 HydrophobicContact CD-CD2 3.96Å; K482-F648 HydrophobicContact CD-CE2 4.29Å; K482-F648 HydrophobicContact CD-CG 4.39Å; K482-F648 VanDerWaalsContact NZ-CD2 3.33Å; S490-F648 VanDerWaalsContact CB-CZ 3.42Å; S490-F648 WeakPolarHBondContact OG-CE2 3.35Å; S490-F648 WeakPolarHBondContact OG-CZ 3.45Å; S646-F648 VanDerWaalsContact C-N 3.25Å; S646-F648 PolarHBondContact O-N 3.35Å; F648-K650 PolarHBondContact O-N 2.87Å; F648-F651 PolarHBondContact O-N 3.18Å; F648-W652 AromaticContact CD1-CD1 3.97Å; F648-W652 AromaticContact CD1-CE2 4Å; F648-W652 HydrophobicContact CD1-CZ2 4.39Å; F648-W652 AromaticContact CD1-NE1 3.37Å; F648-W652 AromaticContact CE1-NE1 3.72Å; F648-W652 VanDerWaalsContact O-CB 3.31Å; F648-W652 WeakPolarHBondContact O-CB 3.27Å; F648-W652 VanDerWaalsContact O-CG 3.32Å; F648-W652 PolarHBondContact O-N 3.46Å |
| 649 | L | 43.4 | Very low | 43.2 | Very low | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 172.8 | -76.7 | 169.4 | 0 | 0 | 0 | 110.8 | T592 L595 S645 S646 W652 T653 | T592-L649 HydrophobicContact CG2-CD1 4.08Å; T592-L649 HydrophobicContact CG2-CD2 4.29Å; L595-L649 HydrophobicContact CD2-CB 4.39Å; L595-L649 HydrophobicContact CD2-CD1 4.21Å; L595-L649 HydrophobicContact CD2-CD2 3.75Å; L595-L649 HydrophobicContact CD2-CG 4.33Å; S645-L649 PolarHBondContact O-N 2.95Å; S646-L649 PolarHBondContact O-N 3.3Å; L649-W652 PolarHBondContact O-N 3.01Å; L649-T653 VanDerWaalsContact O-CG2 3.28Å; L649-T653 WeakPolarHBondContact O-CG2 3.47Å; L649-T653 PolarHBondContact O-N 3.44Å; L649-T653 PolarHBondContact O-OG1 3.5Å; L649-T653 VanDerWaalsContact O-OG1 3.04Å |
| 650 | K | 46.2 | Very low | 43.8 | Very low | 51 Ų | 51 | 53.8 Ų | 53.8 | 22% | 0.222 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 171.3 | -76.8 | -173.1 | 172.4 | -164.2 | 0 | 113 | S646 T647 F648 W652 T653 L654 D699 | S646-K650 WeakPolarHBondContact O-CG 3.27Å; S646-K650 PolarHBondContact O-N 3.42Å; S646-K650 VanDerWaalsContact O-N 3.08Å; T647-K650 WeakPolarHBondContact O-CB 3.23Å; T647-K650 PolarHBondContact O-N 2.94Å; F648-K650 PolarHBondContact O-N 2.87Å; K650-W652 VanDerWaalsContact C-N 3.3Å; K650-W652 PolarHBondContact O-N 3.28Å; K650-T653 PolarHBondContact O-N 3.06Å; K650-T653 PolarHBondContact O-OG1 3.18Å; K650-L654 WeakPolarHBondContact O-CD1 3.34Å; K650-L654 WeakPolarHBondContact O-CG 3.2Å; K650-L654 PolarHBondContact O-N 2.97Å; K650-L654 VanDerWaalsContact O-N 3.1Å; K650-D699 IonicContact NZ-OD1 2.84Å; K650-D699 PolarHBondContact NZ-OD1 3.13Å; K650-D699 IonicContact NZ-OD2 2.78Å |
| 651 | F | 47.2 | Very low | 44.6 | Very low | 142 Ų | 142 | 53.8 Ų | 53.8 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.2 | -36 | 175.2 | -80.7 | -69.4 | 0 | 0 | 0 | 112.9 | T647 F648 L654 | T647-F651 HydrophobicContact CG2-CE2 4.21Å; T647-F651 WeakPolarHBondContact O-CD2 3.2Å; T647-F651 PolarHBondContact O-N 2.9Å; T647-F651 VanDerWaalsContact O-N 3.1Å; F648-F651 PolarHBondContact O-N 3.18Å; F651-L654 HydrophobicContact CD1-CD1 4.29Å; F651-L654 PolarHBondContact O-N 3.29Å |
| 652 | W | 46.5 | Very low | 45.2 | Very low | 32 Ų | 32 | 52.2 Ų | 52.2 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 179 | -82.6 | 34.6 | 0 | 0 | 0 | 111.9 | Q480 Y547 Y548 I596 F648 L649 K650 P656 | Q480-W652 HydrophobicContact CG-CH2 3.83Å; Y547-W652 HydrophobicContact CE1-CD2 4.08Å; Y547-W652 HydrophobicContact CE1-CE3 4.11Å; Y547-W652 HydrophobicContact CE1-CG 4.34Å; Y547-W652 HydrophobicContact CE2-CE3 4.35Å; Y547-W652 AromaticContact CZ-CE3 3.86Å; Y547-W652 VanDerWaalsContact OH-C 3.3Å; Y547-W652 WeakPolarHBondContact OH-CA 3.41Å; Y547-W652 WeakPolarHBondContact OH-CB 3.44Å; Y547-W652 PolarHBondContact OH-O 2.8Å; Y548-W652 VanDerWaalsContact OH-CH2 3.31Å; Y548-W652 WeakPolarHBondContact OH-CH2 3.27Å; Y548-W652 WeakPolarHBondContact OH-CZ2 3.33Å; I596-W652 HydrophobicContact CD1-CZ3 4.4Å; I596-W652 HydrophobicContact CG1-CZ3 4.4Å; F648-W652 AromaticContact CD1-CD1 3.97Å; F648-W652 AromaticContact CD1-CE2 4Å; F648-W652 HydrophobicContact CD1-CZ2 4.39Å; F648-W652 AromaticContact CD1-NE1 3.37Å; F648-W652 AromaticContact CE1-NE1 3.72Å; F648-W652 VanDerWaalsContact O-CB 3.31Å; F648-W652 WeakPolarHBondContact O-CB 3.27Å; F648-W652 VanDerWaalsContact O-CG 3.32Å; F648-W652 PolarHBondContact O-N 3.46Å; L649-W652 PolarHBondContact O-N 3.01Å; K650-W652 VanDerWaalsContact C-N 3.3Å; K650-W652 PolarHBondContact O-N 3.28Å; W652-P656 WeakPolarHBondContact O-CD 3.33Å; W652-P656 VanDerWaalsContact O-CG 3.27Å; W652-P656 WeakPolarHBondContact O-CG 3.33Å |
| 653 | T | 48.4 | Very low | 45.9 | Very low | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -82.7 | -21.9 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | L595 L627 H631 L649 K650 Q655 P656 I657 | L595-T653 HydrophobicContact CD1-CG2 4.06Å; L627-T653 HydrophobicContact CD2-CG2 4.48Å; H631-T653 PolarHBondContact CE1-OG1 3.19Å; H631-T653 WeakPolarHBondContact NE2-CB 3.48Å; H631-T653 PolarHBondContact NE2-OG1 2.96Å; L649-T653 VanDerWaalsContact O-CG2 3.28Å; L649-T653 WeakPolarHBondContact O-CG2 3.47Å; L649-T653 PolarHBondContact O-N 3.44Å; L649-T653 PolarHBondContact O-OG1 3.5Å; L649-T653 VanDerWaalsContact O-OG1 3.04Å; K650-T653 PolarHBondContact O-N 3.06Å; K650-T653 PolarHBondContact O-OG1 3.18Å; T653-Q655 PolarHBondContact O-N 3.46Å; T653-P656 CarbonylContact O-C 3.57Å; T653-P656 VanDerWaalsContact O-CD 3.25Å; T653-P656 WeakPolarHBondContact O-CD 3.05Å; T653-I657 WeakPolarHBondContact O-CB 3.37Å; T653-I657 WeakPolarHBondContact O-CG1 3.15Å; T653-I657 PolarHBondContact O-N 3.41Å |
| 654 | L | 47.5 | Very low | 46.7 | Very low | 87 Ų | 87 | 44.9 Ų | 44.9 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 177.9 | -90.6 | 153.2 | 0 | 0 | 0 | 114.2 | K650 F651 I657 S658 | K650-L654 WeakPolarHBondContact O-CD1 3.34Å; K650-L654 WeakPolarHBondContact O-CG 3.2Å; K650-L654 PolarHBondContact O-N 2.97Å; K650-L654 VanDerWaalsContact O-N 3.1Å; F651-L654 HydrophobicContact CD1-CD1 4.29Å; F651-L654 PolarHBondContact O-N 3.29Å; L654-I657 PolarHBondContact O-N 3.09Å; L654-S658 PolarHBondContact O-N 3.32Å; L654-S658 VanDerWaalsContact O-N 3.15Å |
| 655 | Q | 49.8 | Very low | 47.5 | Very low | 106 Ų | 106 | 38.9 Ų | 38.9 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.7 | -50 | 174.3 | -103.2 | -171.6 | -8.5 | 0 | 0 | 112.5 | T653 I657 S658 A659 | T653-Q655 PolarHBondContact O-N 3.46Å; Q655-I657 VanDerWaalsContact C-N 3.27Å; Q655-I657 PolarHBondContact O-N 3.44Å; Q655-S658 PolarHBondContact O-N 2.91Å; Q655-S658 PolarHBondContact O-OG 3.03Å; Q655-A659 PolarHBondContact O-N 3.11Å; Q655-A659 VanDerWaalsContact O-N 3.1Å |
| 656 | P | 47.9 | Very low | 48.2 | Very low | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.9 | -40.4 | 166.9 | -27 | 32.8 | 0 | 0 | 0 | 112.8 | C599 W652 T653 S658 A659 V660 | C599-P656 HydrophobicContact CB-CG 4.02Å; W652-P656 WeakPolarHBondContact O-CD 3.33Å; W652-P656 VanDerWaalsContact O-CG 3.27Å; W652-P656 WeakPolarHBondContact O-CG 3.33Å; T653-P656 CarbonylContact O-C 3.57Å; T653-P656 VanDerWaalsContact O-CD 3.25Å; T653-P656 WeakPolarHBondContact O-CD 3.05Å; P656-S658 PolarHBondContact O-N 3.32Å; P656-A659 CarbonylContact O-C 3.39Å; P656-A659 PolarHBondContact O-N 3.07Å; P656-V660 WeakPolarHBondContact O-CA 3.25Å; P656-V660 WeakPolarHBondContact O-CB 3.36Å; P656-V660 WeakPolarHBondContact O-CG2 3.23Å; P656-V660 PolarHBondContact O-N 3.07Å |
| 657 | I | 49.1 | Very low | 48.7 | Very low | 36 Ų | 36 | 42.9 Ų | 42.9 | 19% | 0.185 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 178.6 | -73.3 | 161.6 | 0 | 0 | 0 | 110.7 | T653 L654 Q655 A659 V660 L661 | T653-I657 WeakPolarHBondContact O-CB 3.37Å; T653-I657 WeakPolarHBondContact O-CG1 3.15Å; T653-I657 PolarHBondContact O-N 3.41Å; L654-I657 PolarHBondContact O-N 3.09Å; Q655-I657 VanDerWaalsContact C-N 3.27Å; Q655-I657 PolarHBondContact O-N 3.44Å; I657-A659 PolarHBondContact O-N 3.01Å; I657-V660 PolarHBondContact O-N 2.51Å; I657-L661 HydrophobicContact CG2-CD1 3.62Å; I657-L661 HydrophobicContact CG2-CG 4.23Å; I657-L661 VanDerWaalsContact O-CB 3.29Å; I657-L661 WeakPolarHBondContact O-CB 3.49Å; I657-L661 WeakPolarHBondContact O-CD1 3.27Å; I657-L661 WeakPolarHBondContact O-CG 3.39Å; I657-L661 PolarHBondContact O-N 3.49Å |
| 658 | S | 51.3 | Low | 49.2 | Very low | 47 Ų | 47 | 40.4 Ų | 40.4 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64 | -40.2 | 176.1 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | L654 Q655 P656 L661 V662 | L654-S658 PolarHBondContact O-N 3.32Å; L654-S658 VanDerWaalsContact O-N 3.15Å; Q655-S658 PolarHBondContact O-N 2.91Å; Q655-S658 PolarHBondContact O-OG 3.03Å; P656-S658 PolarHBondContact O-N 3.32Å; S658-L661 PolarHBondContact O-N 3.23Å; S658-V662 WeakPolarHBondContact O-CG2 3.29Å; S658-V662 PolarHBondContact O-N 3.01Å |
| 659 | A | 48.5 | Very low | 49.6 | Very low | 36 Ų | 36 | 41.4 Ų | 41.4 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q655 P656 I657 V662 C663 | Q655-A659 PolarHBondContact O-N 3.11Å; Q655-A659 VanDerWaalsContact O-N 3.1Å; P656-A659 CarbonylContact O-C 3.39Å; P656-A659 PolarHBondContact O-N 3.07Å; I657-A659 PolarHBondContact O-N 3.01Å; A659-V662 PolarHBondContact O-N 3.46Å; A659-C663 WeakPolarHBondContact O-CB 3.46Å; A659-C663 PolarHBondContact O-N 3.06Å; A659-C663 PolarHBondContact O-SG 3.47Å |
| 660 | V | 50.3 | Low | 49.9 | Very low | 15 Ų | 15 | 46.3 Ų | 46.3 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 175.9 | 164.8 | 0 | 0 | 0 | 0 | 109.2 | L602 I624 P656 I657 C663 L664 | L602-V660 HydrophobicContact CB-CG2 3.95Å; L602-V660 HydrophobicContact CD1-CG2 3.62Å; L602-V660 HydrophobicContact CG-CG2 4.25Å; I624-V660 HydrophobicContact CD1-CG1 4.31Å; I624-V660 HydrophobicContact CG1-CG1 4.13Å; P656-V660 WeakPolarHBondContact O-CA 3.25Å; P656-V660 WeakPolarHBondContact O-CB 3.36Å; P656-V660 WeakPolarHBondContact O-CG2 3.23Å; P656-V660 PolarHBondContact O-N 3.07Å; I657-V660 PolarHBondContact O-N 2.51Å; V660-C663 CarbonylContact O-C 3.09Å; V660-C663 WeakPolarHBondContact O-CB 3.5Å; V660-C663 PolarHBondContact O-N 2.97Å; V660-L664 HydrophobicContact CG1-CD1 3.54Å; V660-L664 HydrophobicContact CG1-CG 4.14Å; V660-L664 VanDerWaalsContact O-CB 3.23Å; V660-L664 WeakPolarHBondContact O-CB 3.3Å; V660-L664 WeakPolarHBondContact O-CD1 3.49Å; V660-L664 WeakPolarHBondContact O-CG 3.44Å; V660-L664 PolarHBondContact O-N 2.89Å |
| 661 | L | 52 | Low | 49.9 | Very low | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.1 | -73.3 | 162 | 0 | 0 | 0 | 111.5 | I657 S658 C663 L664 S665 I712 T715 | I657-L661 HydrophobicContact CG2-CD1 3.62Å; I657-L661 HydrophobicContact CG2-CG 4.23Å; I657-L661 VanDerWaalsContact O-CB 3.29Å; I657-L661 WeakPolarHBondContact O-CB 3.49Å; I657-L661 WeakPolarHBondContact O-CD1 3.27Å; I657-L661 WeakPolarHBondContact O-CG 3.39Å; I657-L661 PolarHBondContact O-N 3.49Å; S658-L661 PolarHBondContact O-N 3.23Å; L661-C663 PolarHBondContact O-N 3.49Å; L661-L664 CarbonylContact O-C 3.56Å; L661-L664 PolarHBondContact O-N 3.3Å; L661-S665 WeakPolarHBondContact O-CB 3.39Å; L661-S665 PolarHBondContact O-N 3.2Å; L661-I712 HydrophobicContact CD1-CD1 3.82Å; L661-I712 HydrophobicContact CD1-CG1 3.26Å; L661-I712 HydrophobicContact CD2-CG1 4.23Å; L661-I712 HydrophobicContact CG-CG1 4.31Å; L661-T715 HydrophobicContact CD2-CG2 4.32Å; L661-T715 PolarHBondContact O-OG1 3.19Å |
| 662 | V | 51.7 | Low | 49.9 | Very low | 62 Ų | 62 | 39.4 Ų | 39.4 | 38% | 0.376 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 172.7 | 172 | 0 | 0 | 0 | 0 | 110.6 | S658 A659 L664 S665 I666 | S658-V662 WeakPolarHBondContact O-CG2 3.29Å; S658-V662 PolarHBondContact O-N 3.01Å; A659-V662 PolarHBondContact O-N 3.46Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.28Å; V662-S665 PolarHBondContact O-N 3.16Å; V662-S665 PolarHBondContact O-OG 3.26Å; V662-I666 WeakPolarHBondContact O-CG1 3.33Å; V662-I666 PolarHBondContact O-N 3.05Å |
| 663 | C | 50 | Low | 50 | Low | 21 Ų | 21 | 40.5 Ų | 40.5 | 14% | 0.142 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.1 | -72.5 | 0 | 0 | 0 | 0 | 112.2 | A659 V660 L661 I666 W667 | A659-C663 WeakPolarHBondContact O-CB 3.46Å; A659-C663 PolarHBondContact O-N 3.06Å; A659-C663 PolarHBondContact O-SG 3.47Å; V660-C663 CarbonylContact O-C 3.09Å; V660-C663 WeakPolarHBondContact O-CB 3.5Å; V660-C663 PolarHBondContact O-N 2.97Å; L661-C663 PolarHBondContact O-N 3.49Å; C663-I666 PolarHBondContact O-N 3.37Å; C663-W667 HydrophobicContact CB-CH2 3.81Å; C663-W667 HydrophobicContact CB-CZ2 3.54Å; C663-W667 HydrophobicContact CB-CZ3 4.38Å; C663-W667 PolarHBondContact O-N 3.38Å |
| 664 | L | 52.4 | Low | 50 | Low | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 177.2 | -76.4 | 167.7 | 0 | 0 | 0 | 112 | I624 V660 L661 V662 I666 W667 F668 L691 | I624-L664 HydrophobicContact CD1-CD2 3.94Å; I624-L664 HydrophobicContact CD1-CG 4.3Å; V660-L664 HydrophobicContact CG1-CD1 3.54Å; V660-L664 HydrophobicContact CG1-CG 4.14Å; V660-L664 VanDerWaalsContact O-CB 3.23Å; V660-L664 WeakPolarHBondContact O-CB 3.3Å; V660-L664 WeakPolarHBondContact O-CD1 3.49Å; V660-L664 WeakPolarHBondContact O-CG 3.44Å; V660-L664 PolarHBondContact O-N 2.89Å; L661-L664 CarbonylContact O-C 3.56Å; L661-L664 PolarHBondContact O-N 3.3Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.28Å; L664-I666 PolarHBondContact O-N 2.96Å; L664-W667 PolarHBondContact O-N 3.47Å; L664-F668 WeakPolarHBondContact O-CB 3.45Å; L664-F668 PolarHBondContact O-N 2.94Å; L664-L691 HydrophobicContact CD1-CD1 3.72Å; L664-L691 HydrophobicContact CD1-CD2 3.32Å; L664-L691 HydrophobicContact CD1-CG 4.17Å; L664-L691 HydrophobicContact CD2-CD1 4.06Å |
| 665 | S | 53.5 | Low | 50 | Low | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -31.6 | 174.3 | 78.4 | 0 | 0 | 0 | 0 | 111.9 | L661 V662 S718 | L661-S665 WeakPolarHBondContact O-CB 3.39Å; L661-S665 PolarHBondContact O-N 3.2Å; V662-S665 PolarHBondContact O-N 3.16Å; V662-S665 PolarHBondContact O-OG 3.26Å; S665-S718 WeakPolarHBondContact O-CB 3.09Å; S665-S718 PolarHBondContact O-OG 3.23Å |
| 666 | I | 52.9 | Low | 49.6 | Very low | 99 Ų | 99 | 40 Ų | 40 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -85.3 | -38.8 | 178.5 | -61 | 167.7 | 0 | 0 | 0 | 110.7 | V662 C663 L664 | V662-I666 WeakPolarHBondContact O-CG1 3.33Å; V662-I666 PolarHBondContact O-N 3.05Å; C663-I666 PolarHBondContact O-N 3.37Å; L664-I666 PolarHBondContact O-N 2.96Å |
| 667 | W | 51 | Low | 49.4 | Very low | 38 Ų | 38 | 46.4 Ų | 46.4 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -89.6 | -29.7 | -172.7 | -61.4 | -4.2 | 0 | 0 | 0 | 114.3 | F605 I620 I624 C663 L664 P669 K670 L671 | F605-W667 AromaticContact CD1-CH2 3.37Å; F605-W667 HydrophobicContact CD1-CH2 3.37Å; F605-W667 AromaticContact CD1-CZ2 3.06Å; F605-W667 HydrophobicContact CD1-CZ2 3.06Å; F605-W667 HydrophobicContact CD2-CH2 4.35Å; F605-W667 AromaticContact CE1-CE2 3.46Å; F605-W667 VanDerWaalsContact CE1-CE2 3.46Å; F605-W667 AromaticContact CE1-CH2 3.36Å; F605-W667 HydrophobicContact CE1-CH2 3.36Å; F605-W667 AromaticContact CE1-CZ2 2.79Å; F605-W667 HydrophobicContact CE1-CZ2 2.79Å; F605-W667 HydrophobicContact CE1-CZ3 4.44Å; F605-W667 AromaticContact CE1-NE1 3.96Å; F605-W667 HydrophobicContact CE2-CH2 4.29Å; F605-W667 HydrophobicContact CE2-CZ2 4.45Å; F605-W667 AromaticContact CG-CH2 3.88Å; F605-W667 HydrophobicContact CG-CH2 3.88Å; F605-W667 HydrophobicContact CG-CZ2 4.03Å; F605-W667 AromaticContact CZ-CH2 3.77Å; F605-W667 HydrophobicContact CZ-CH2 3.77Å; F605-W667 AromaticContact CZ-CZ2 3.54Å; F605-W667 HydrophobicContact CZ-CZ2 3.54Å; I620-W667 HydrophobicContact CB-CZ3 4.43Å; I620-W667 HydrophobicContact CG2-CE3 4.39Å; I620-W667 HydrophobicContact CG2-CH2 3.66Å; I620-W667 HydrophobicContact CG2-CZ3 3.26Å; I624-W667 HydrophobicContact CD1-CZ3 4.24Å; C663-W667 HydrophobicContact CB-CH2 3.81Å; C663-W667 HydrophobicContact CB-CZ2 3.54Å; C663-W667 HydrophobicContact CB-CZ3 4.38Å; C663-W667 PolarHBondContact O-N 3.38Å; L664-W667 PolarHBondContact O-N 3.47Å; W667-P669 VanDerWaalsContact C-CD 3.46Å; W667-P669 VanDerWaalsContact C-N 3.31Å; W667-K670 CarbonylContact O-C 3.6Å; W667-K670 VanDerWaalsContact O-CA 3.3Å; W667-K670 WeakPolarHBondContact O-CA 3.34Å; W667-K670 WeakPolarHBondContact O-CB 3.26Å; W667-K670 PolarHBondContact O-N 2.96Å; W667-L671 HydrophobicContact CB-CD1 3.75Å; W667-L671 HydrophobicContact CB-CG 4.14Å; W667-L671 HydrophobicContact CE3-CD1 4.33Å; W667-L671 PolarHBondContact O-N 2.81Å |
| 668 | F | 50.7 | Low | 49.4 | Very low | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.5 | -44.8 | -174.4 | -168.8 | -101.9 | 0 | 0 | 0 | 112.8 | L664 K670 L671 C672 L688 W719 T725 | L664-F668 WeakPolarHBondContact O-CB 3.45Å; L664-F668 PolarHBondContact O-N 2.94Å; F668-K670 PolarHBondContact O-N 3.46Å; F668-L671 PolarHBondContact O-N 3.21Å; F668-C672 WeakPolarHBondContact O-CB 3.42Å; F668-C672 PolarHBondContact O-N 3.02Å; F668-C672 PolarHBondContact O-SG 3.07Å; F668-L688 HydrophobicContact CD2-CD1 4.34Å; F668-L688 HydrophobicContact CE2-CD1 3.19Å; F668-L688 HydrophobicContact CE2-CD2 4.36Å; F668-L688 HydrophobicContact CE2-CG 3.58Å; F668-L688 HydrophobicContact CZ-CD1 3.38Å; F668-L688 HydrophobicContact CZ-CD2 3.99Å; F668-L688 HydrophobicContact CZ-CG 3.72Å; F668-W719 HydrophobicContact CD1-CB 4.33Å; F668-W719 AromaticContact CD1-CD1 3.16Å; F668-W719 HydrophobicContact CD1-CD2 4.11Å; F668-W719 AromaticContact CD1-CE2 3.94Å; F668-W719 AromaticContact CD1-CG 3.63Å; F668-W719 HydrophobicContact CD1-CG 3.63Å; F668-W719 AromaticContact CD1-NE1 3.37Å; F668-W719 AromaticContact CD2-CE2 3.79Å; F668-W719 AromaticContact CD2-CZ2 3.98Å; F668-W719 HydrophobicContact CD2-CZ2 3.98Å; F668-W719 AromaticContact CD2-NE1 3.68Å; F668-W719 HydrophobicContact CE1-CB 4.11Å; F668-W719 AromaticContact CE1-CD1 3.68Å; F668-W719 AromaticContact CE1-CD2 3.93Å; F668-W719 HydrophobicContact CE1-CD2 3.93Å; F668-W719 AromaticContact CE1-CG 3.64Å; F668-W719 HydrophobicContact CE1-CG 3.64Å; F668-W719 AromaticContact CE1-NE1 3.96Å; F668-W719 HydrophobicContact CE2-CD2 4.41Å; F668-W719 AromaticContact CE2-CE2 3.97Å; F668-W719 HydrophobicContact CE2-CZ2 4.06Å; F668-W719 AromaticContact CG-CD1 3.5Å; F668-W719 HydrophobicContact CG-CD2 4.38Å; F668-W719 AromaticContact CG-CE2 3.74Å; F668-W719 HydrophobicContact CG-CG 4.23Å; F668-W719 HydrophobicContact CG-CZ2 4.36Å; F668-W719 AromaticContact CG-NE1 3.16Å; F668-W719 HydrophobicContact CZ-CD2 4.08Å; F668-W719 HydrophobicContact CZ-CG 4.29Å; F668-T725 HydrophobicContact CD1-CG2 3.98Å; F668-T725 HydrophobicContact CE1-CG2 3.39Å; F668-T725 HydrophobicContact CZ-CG2 4.4Å |
| 669 | P | 51 | Low | 49.1 | Very low | 44 Ų | 44 | 51.3 Ų | 51.3 | 29% | 0.286 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.4 | -33.8 | 173.8 | -21.5 | 34.1 | 0 | 0 | 0 | 113.4 | W667 S673 | W667-P669 VanDerWaalsContact C-CD 3.46Å; W667-P669 VanDerWaalsContact C-N 3.31Å; P669-S673 PolarHBondContact O-N 2.96Å |
| 670 | K | 49.8 | Very low | 49.1 | Very low | 118 Ų | 118 | 56.3 Ų | 56.3 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -84 | -29.1 | 179.7 | -67.2 | -179.1 | 178.3 | 178.6 | 0 | 113.8 | W667 F668 S673 I674 | W667-K670 CarbonylContact O-C 3.6Å; W667-K670 VanDerWaalsContact O-CA 3.3Å; W667-K670 WeakPolarHBondContact O-CA 3.34Å; W667-K670 WeakPolarHBondContact O-CB 3.26Å; W667-K670 PolarHBondContact O-N 2.96Å; F668-K670 PolarHBondContact O-N 3.46Å; K670-S673 PolarHBondContact O-OG 3.41Å; K670-S673 VanDerWaalsContact O-OG 3.06Å; K670-I674 WeakPolarHBondContact O-CD1 3.42Å; K670-I674 VanDerWaalsContact O-CG1 3.3Å; K670-I674 WeakPolarHBondContact O-CG1 2.99Å; K670-I674 PolarHBondContact O-N 3.28Å |
| 671 | L | 46.3 | Very low | 48.8 | Very low | 28 Ų | 28 | 57.8 Ų | 57.8 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.5 | -46.2 | 176.5 | -80.9 | 165.8 | 0 | 0 | 0 | 109 | V621 W667 F668 S673 I674 S675 | V621-L671 HydrophobicContact CG2-CD2 3.94Å; W667-L671 HydrophobicContact CB-CD1 3.75Å; W667-L671 HydrophobicContact CB-CG 4.14Å; W667-L671 HydrophobicContact CE3-CD1 4.33Å; W667-L671 PolarHBondContact O-N 2.81Å; F668-L671 PolarHBondContact O-N 3.21Å; L671-S673 VanDerWaalsContact C-N 3.31Å; L671-S673 PolarHBondContact O-N 2.98Å; L671-I674 PolarHBondContact O-N 3.26Å; L671-S675 WeakPolarHBondContact O-CB 3.43Å; L671-S675 PolarHBondContact O-N 3.47Å |
| 672 | C | 47.1 | Very low | 48.6 | Very low | 19 Ų | 19 | 67.2 Ų | 67.2 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 174.1 | -67 | 0 | 0 | 0 | 0 | 111.6 | F668 I674 L676 I724 | F668-C672 WeakPolarHBondContact O-CB 3.42Å; F668-C672 PolarHBondContact O-N 3.02Å; F668-C672 PolarHBondContact O-SG 3.07Å; C672-I674 VanDerWaalsContact C-N 3.31Å; C672-I674 PolarHBondContact O-N 2.95Å; C672-L676 HydrophobicContact CB-CD1 4.38Å; C672-L676 VanDerWaalsContact O-CB 3.25Å; C672-L676 WeakPolarHBondContact O-CB 3.49Å; C672-L676 WeakPolarHBondContact O-CD1 3.45Å; C672-L676 WeakPolarHBondContact O-CG 3.36Å; C672-L676 PolarHBondContact O-N 2.92Å; C672-I724 HydrophobicContact CB-CG2 4.24Å |
| 673 | S | 49.4 | Very low | 48.5 | Very low | 55 Ų | 55 | 67 Ų | 67 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -27.4 | -179.8 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | P669 K670 L671 | P669-S673 PolarHBondContact O-N 2.96Å; K670-S673 PolarHBondContact O-OG 3.41Å; K670-S673 VanDerWaalsContact O-OG 3.06Å; L671-S673 VanDerWaalsContact C-N 3.31Å; L671-S673 PolarHBondContact O-N 2.98Å |
| 674 | I | 47 | Very low | 48.3 | Very low | 85 Ų | 85 | 67 Ų | 67 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -92.8 | -44.7 | -178.5 | -64 | 169.2 | 0 | 0 | 0 | 111.1 | K617 K670 L671 C672 N677 | K617-I674 VanDerWaalsContact NZ-CD1 3.29Å; K670-I674 WeakPolarHBondContact O-CD1 3.42Å; K670-I674 VanDerWaalsContact O-CG1 3.3Å; K670-I674 WeakPolarHBondContact O-CG1 2.99Å; K670-I674 PolarHBondContact O-N 3.28Å; L671-I674 PolarHBondContact O-N 3.26Å; C672-I674 VanDerWaalsContact C-N 3.31Å; C672-I674 PolarHBondContact O-N 2.95Å; I674-N677 PolarHBondContact O-N 3.29Å |
| 675 | S | 47.5 | Very low | 48.2 | Very low | 18 Ų | 18 | 70.6 Ų | 70.6 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.1 | -37.6 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | L671 N677 D678 D684 | L671-S675 WeakPolarHBondContact O-CB 3.43Å; L671-S675 PolarHBondContact O-N 3.47Å; S675-N677 PolarHBondContact O-N 2.88Å; S675-N677 VanDerWaalsContact O-N 3.1Å; S675-D678 PolarHBondContact O-N 3.47Å; S675-D684 WeakPolarHBondContact CB-OD2 3.41Å; S675-D684 WeakPolarHBondContact OG-CB 3.3Å; S675-D684 PolarHBondContact OG-OD2 3.14Å |
| 676 | L | 41.6 | Very low | 48.1 | Very low | 82 Ų | 82 | 73.9 Ų | 73.9 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.7 | -179.4 | -72 | 169.8 | 0 | 0 | 0 | 113.6 | C672 I724 Y728 | C672-L676 HydrophobicContact CB-CD1 4.38Å; C672-L676 VanDerWaalsContact O-CB 3.25Å; C672-L676 WeakPolarHBondContact O-CB 3.49Å; C672-L676 WeakPolarHBondContact O-CD1 3.45Å; C672-L676 WeakPolarHBondContact O-CG 3.36Å; C672-L676 PolarHBondContact O-N 2.92Å; L676-I724 HydrophobicContact CD1-CG2 3.34Å; L676-Y728 HydrophobicContact CD2-CE2 3.83Å |
| 677 | N | 45.2 | Very low | 48.1 | Very low | 140 Ų | 140 | 69.8 Ų | 69.8 | 75% | 0.749 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.9 | 176.4 | -69.8 | -22 | 0 | 0 | 0 | 113.5 | I674 S675 | I674-N677 PolarHBondContact O-N 3.29Å; S675-N677 PolarHBondContact O-N 2.88Å; S675-N677 VanDerWaalsContact O-N 3.1Å |
| 678 | D | 47.4 | Very low | 48.1 | Very low | 72 Ų | 72 | 69.4 Ų | 69.4 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | trans | -125.7 | 104 | -177.1 | -162.9 | -14.6 | 0 | 0 | 0 | 111.2 | S675 N680 L681 | S675-D678 PolarHBondContact O-N 3.47Å; D678-N680 PolarHBondContact O-N 2.98Å; D678-N680 PolarHBondContact OD1-N 3.44Å; D678-N680 PolarHBondContact OD1-ND2 2.96Å; D678-L681 HydrophobicContact CB-CD1 4.16Å; D678-L681 PolarHBondContact O-N 3.03Å; D678-L681 VanDerWaalsContact O-N 3.09Å | ||
| 679 | P | 45.4 | Very low | 48.3 | Very low | 114 Ų | 114 | 72.4 Ų | 72.4 | 74% | 0.74 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.5 | -176.1 | 24.5 | -32.7 | 0 | 0 | 0 | 114.1 | L681 | P679-L681 VanDerWaalsContact C-N 3.29Š|
| 680 | N | 48.8 | Very low | 48.5 | Very low | 141 Ų | 141 | 70.8 Ų | 70.8 | 75% | 0.754 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6 | 175.8 | -64.2 | -46.4 | 0 | 0 | 0 | 113.8 | D678 R682 | D678-N680 PolarHBondContact O-N 2.98Å; D678-N680 PolarHBondContact OD1-N 3.44Å; D678-N680 PolarHBondContact OD1-ND2 2.96Å; N680-R682 VanDerWaalsContact C-N 3.35Å; N680-R682 PolarHBondContact O-N 3.02Å |
| 681 | L | 44.5 | Very low | 48.7 | Very low | 45 Ų | 45 | 65.6 Ų | 65.6 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | trans | -94.1 | 40.2 | 178.2 | -80.7 | 160.5 | 0 | 0 | 0 | 113.6 | D678 P679 P683 D684 | D678-L681 HydrophobicContact CB-CD1 4.16Å; D678-L681 PolarHBondContact O-N 3.03Å; D678-L681 VanDerWaalsContact O-N 3.09Å; P679-L681 VanDerWaalsContact C-N 3.29Å; L681-P683 VanDerWaalsContact O-CD 3.29Å; L681-P683 WeakPolarHBondContact O-CD 3.36Å; L681-D684 PolarHBondContact O-N 3.42Å; L681-D684 VanDerWaalsContact O-N 3.14Å | ||
| 682 | R | 47.6 | Very low | 49 | Very low | 211 Ų | 211 | 64.4 Ų | 64.4 | 80% | 0.796 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -25.7 | 167.1 | -91.4 | -176.5 | 178.9 | 176.9 | -0.2 | 116.7 | N680 D684 T685 | N680-R682 VanDerWaalsContact C-N 3.35Å; N680-R682 PolarHBondContact O-N 3.02Å; R682-D684 PolarHBondContact O-N 3.01Å; R682-T685 PolarHBondContact O-OG1 3.09Å |
| 683 | P | 48.5 | Very low | 49.3 | Very low | 58 Ų | 58 | 70.3 Ų | 70.3 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.8 | -24 | 176.3 | -23.4 | 34.4 | 0 | 0 | 0 | 114.5 | V621 L681 T685 E686 I687 | V621-P683 HydrophobicContact CG1-CB 4.5Å; L681-P683 VanDerWaalsContact O-CD 3.29Å; L681-P683 WeakPolarHBondContact O-CD 3.36Å; P683-T685 PolarHBondContact O-N 3.01Å; P683-E686 PolarHBondContact O-N 3.35Å; P683-I687 HydrophobicContact CB-CD1 4.23Å; P683-I687 WeakPolarHBondContact O-CB 3.28Å; P683-I687 WeakPolarHBondContact O-CD1 3.27Å; P683-I687 WeakPolarHBondContact O-CG1 3.07Å; P683-I687 PolarHBondContact O-N 2.59Å |
| 684 | D | 47.6 | Very low | 49.5 | Very low | 22 Ų | 22 | 69.1 Ų | 69.1 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.1 | -30.7 | -168.5 | -65.7 | -25.1 | 0 | 0 | 0 | 113.4 | V621 S675 L681 R682 L688 | V621-D684 WeakPolarHBondContact CG1-OD1 3.26Å; S675-D684 WeakPolarHBondContact CB-OD2 3.41Å; S675-D684 WeakPolarHBondContact OG-CB 3.3Å; S675-D684 PolarHBondContact OG-OD2 3.14Å; L681-D684 PolarHBondContact O-N 3.42Å; L681-D684 VanDerWaalsContact O-N 3.14Å; R682-D684 PolarHBondContact O-N 3.01Å; D684-L688 WeakPolarHBondContact O-CB 3.34Å; D684-L688 PolarHBondContact O-N 3.07Å; D684-L688 VanDerWaalsContact O-N 3.09Å |
| 685 | T | 49.1 | Very low | 49.7 | Very low | 78 Ų | 78 | 65.4 Ų | 65.4 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.7 | -37.2 | 173.9 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | R682 P683 L688 K689 | R682-T685 PolarHBondContact O-OG1 3.09Å; P683-T685 PolarHBondContact O-N 3.01Å; T685-L688 WeakPolarHBondContact O-CB 3.47Å; T685-L688 PolarHBondContact O-N 3.5Å; T685-K689 WeakPolarHBondContact O-CG 2.95Å; T685-K689 PolarHBondContact O-N 3.24Å; T685-K689 VanDerWaalsContact O-N 3.08Å |
| 686 | E | 51.9 | Low | 49.9 | Very low | 76 Ų | 76 | 65.9 Ų | 65.9 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 174 | -69.8 | -59.6 | 134.1 | 0 | 0 | 111.3 | P683 L688 K689 D690 | P683-E686 PolarHBondContact O-N 3.35Å; E686-L688 VanDerWaalsContact C-N 3.3Å; E686-L688 PolarHBondContact O-N 3.29Å; E686-K689 WeakPolarHBondContact O-CB 3.35Å; E686-K689 PolarHBondContact O-N 3.09Å; E686-K689 IonicContact OE1-NZ 3.33Å; E686-K689 PolarHBondContact OE1-NZ 3.03Å; E686-D690 PolarHBondContact O-N 3.09Å |
| 687 | I | 52.9 | Low | 50.3 | Low | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 172.8 | -72.2 | 163.5 | 0 | 0 | 0 | 111.2 | V621 I624 H625 L628 P683 K689 D690 L691 | V621-I687 HydrophobicContact CB-CD1 4.2Å; V621-I687 HydrophobicContact CG1-CD1 3.15Å; V621-I687 WeakPolarHBondContact O-CD1 3.48Å; I624-I687 HydrophobicContact CG2-CG2 4.01Å; H625-I687 HydrophobicContact CB-CD1 3.95Å; H625-I687 HydrophobicContact CB-CG1 3.7Å; L628-I687 HydrophobicContact CD1-CG2 4.03Å; P683-I687 HydrophobicContact CB-CD1 4.23Å; P683-I687 WeakPolarHBondContact O-CB 3.28Å; P683-I687 WeakPolarHBondContact O-CD1 3.27Å; P683-I687 WeakPolarHBondContact O-CG1 3.07Å; P683-I687 PolarHBondContact O-N 2.59Å; I687-K689 VanDerWaalsContact C-N 3.29Å; I687-K689 PolarHBondContact O-N 3.4Å; I687-D690 PolarHBondContact O-N 3.22Å; I687-L691 HydrophobicContact CG2-CD1 3.74Å; I687-L691 HydrophobicContact CG2-CG 4.22Å; I687-L691 VanDerWaalsContact O-CB 3.28Å; I687-L691 WeakPolarHBondContact O-CB 3.46Å; I687-L691 WeakPolarHBondContact O-CG 3.26Å; I687-L691 PolarHBondContact O-N 2.66Å |
| 688 | L | 51.3 | Low | 50.2 | Low | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.7 | -46.3 | 173.8 | -134 | 122.8 | 0 | 0 | 0 | 110.2 | F668 D684 T685 E686 D690 L691 V692 L729 W732 | F668-L688 HydrophobicContact CD2-CD1 4.34Å; F668-L688 HydrophobicContact CE2-CD1 3.19Å; F668-L688 HydrophobicContact CE2-CD2 4.36Å; F668-L688 HydrophobicContact CE2-CG 3.58Å; F668-L688 HydrophobicContact CZ-CD1 3.38Å; F668-L688 HydrophobicContact CZ-CD2 3.99Å; F668-L688 HydrophobicContact CZ-CG 3.72Å; D684-L688 WeakPolarHBondContact O-CB 3.34Å; D684-L688 PolarHBondContact O-N 3.07Å; D684-L688 VanDerWaalsContact O-N 3.09Å; T685-L688 WeakPolarHBondContact O-CB 3.47Å; T685-L688 PolarHBondContact O-N 3.5Å; E686-L688 VanDerWaalsContact C-N 3.3Å; E686-L688 PolarHBondContact O-N 3.29Å; L688-D690 VanDerWaalsContact C-N 3.34Å; L688-D690 PolarHBondContact O-N 2.88Å; L688-L691 PolarHBondContact O-N 2.92Å; L688-V692 PolarHBondContact O-N 3.41Å; L688-L729 HydrophobicContact CD2-CD2 3.65Å; L688-W732 VanDerWaalsContact C-CZ3 3.46Å; L688-W732 HydrophobicContact CB-CH2 3.83Å; L688-W732 HydrophobicContact CB-CZ3 4.26Å; L688-W732 HydrophobicContact CD2-CE3 4.42Å; L688-W732 HydrophobicContact CD2-CH2 3.66Å; L688-W732 HydrophobicContact CD2-CZ3 3.66Å; L688-W732 HydrophobicContact CG-CH2 4.3Å; L688-W732 HydrophobicContact CG-CZ3 4.38Å; L688-W732 WeakPolarHBondContact O-CH2 3.34Å; L688-W732 WeakPolarHBondContact O-CZ3 3.5Å |
| 689 | K | 54.2 | Low | 49.9 | Very low | 72 Ų | 72 | 60.7 Ų | 60.7 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | -176.5 | -77.9 | 174.4 | -174.7 | 170.9 | 0 | 110.2 | T685 E686 I687 V692 R693 W732 | T685-K689 WeakPolarHBondContact O-CG 2.95Å; T685-K689 PolarHBondContact O-N 3.24Å; T685-K689 VanDerWaalsContact O-N 3.08Å; E686-K689 WeakPolarHBondContact O-CB 3.35Å; E686-K689 PolarHBondContact O-N 3.09Å; E686-K689 IonicContact OE1-NZ 3.33Å; E686-K689 PolarHBondContact OE1-NZ 3.03Å; I687-K689 VanDerWaalsContact C-N 3.29Å; I687-K689 PolarHBondContact O-N 3.4Å; K689-V692 PolarHBondContact O-N 2.93Å; K689-R693 WeakPolarHBondContact O-CG 3.12Å; K689-R693 PolarHBondContact O-N 2.89Å; K689-W732 HydrophobicContact CB-CH2 3.86Å; K689-W732 HydrophobicContact CB-CZ2 4.11Å; K689-W732 HydrophobicContact CG-CH2 3.48Å; K689-W732 VanDerWaalsContact CG-CH2 3.48Å; K689-W732 HydrophobicContact CG-CZ2 3.26Å |
| 690 | D | 55 | Low | 49.6 | Very low | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.7 | -34.2 | -178.6 | -65.7 | -23.7 | 0 | 0 | 0 | 112.2 | H625 L628 L632 E686 I687 L688 R693 L694 | H625-D690 IonicContact CE1-OD2 3.96Å; H625-D690 IonicContact ND1-OD2 3.59Å; L628-D690 HydrophobicContact CB-CB 3.78Å; L628-D690 HydrophobicContact CD1-CB 3.81Å; L628-D690 HydrophobicContact CD2-CB 4.26Å; L628-D690 HydrophobicContact CG-CB 4.15Å; L632-D690 HydrophobicContact CD1-CB 3.52Å; L632-D690 VanDerWaalsContact CD1-CG 3.45Å; L632-D690 VanDerWaalsContact CD1-OD1 3.22Å; L632-D690 WeakPolarHBondContact CD1-OD1 3.28Å; E686-D690 PolarHBondContact O-N 3.09Å; I687-D690 PolarHBondContact O-N 3.22Å; L688-D690 VanDerWaalsContact C-N 3.34Å; L688-D690 PolarHBondContact O-N 2.88Å; D690-R693 PolarHBondContact O-N 3.45Å; D690-R693 IonicContact OD1-NH1 3.52Å; D690-R693 PolarHBondContact OD1-NH1 2.87Å; D690-R693 VanDerWaalsContact OD1-NH1 3.12Å; D690-L694 PolarHBondContact O-N 3.28Å |
| 691 | L | 53.9 | Low | 49.1 | Very low | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 173.8 | -80.1 | 170 | 0 | 0 | 0 | 112.5 | L628 L664 I687 L688 L694 S695 W719 | L628-L691 HydrophobicContact CD1-CD2 4.07Å; L628-L691 HydrophobicContact CD1-CG 3.79Å; L628-L691 HydrophobicContact CD2-CD2 3.99Å; L628-L691 HydrophobicContact CD2-CG 4.34Å; L664-L691 HydrophobicContact CD1-CD1 3.72Å; L664-L691 HydrophobicContact CD1-CD2 3.32Å; L664-L691 HydrophobicContact CD1-CG 4.17Å; L664-L691 HydrophobicContact CD2-CD1 4.06Å; I687-L691 HydrophobicContact CG2-CD1 3.74Å; I687-L691 HydrophobicContact CG2-CG 4.22Å; I687-L691 VanDerWaalsContact O-CB 3.28Å; I687-L691 WeakPolarHBondContact O-CB 3.46Å; I687-L691 WeakPolarHBondContact O-CG 3.26Å; I687-L691 PolarHBondContact O-N 2.66Å; L688-L691 PolarHBondContact O-N 2.92Å; L691-L694 PolarHBondContact O-N 2.73Å; L691-S695 PolarHBondContact O-N 2.97Å; L691-W719 HydrophobicContact CB-CH2 4.21Å; L691-W719 HydrophobicContact CD1-CH2 4.35Å; L691-W719 HydrophobicContact CD1-CZ2 4.45Å |
| 692 | V | 52.8 | Low | 48.9 | Very low | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 179.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L688 K689 L694 S695 F696 W716 W719 W732 | L688-V692 PolarHBondContact O-N 3.41Å; K689-V692 PolarHBondContact O-N 2.93Å; V692-L694 VanDerWaalsContact C-N 3.34Å; V692-L694 PolarHBondContact O-N 2.75Å; V692-S695 PolarHBondContact O-N 3.43Å; V692-S695 PolarHBondContact O-OG 2.79Å; V692-F696 HydrophobicContact CG1-CD2 3.76Å; V692-F696 HydrophobicContact CG1-CE2 3.34Å; V692-F696 HydrophobicContact CG1-CZ 4.41Å; V692-F696 WeakPolarHBondContact O-CD2 3.37Å; V692-F696 PolarHBondContact O-N 2.91Å; V692-W716 HydrophobicContact CB-CH2 4.45Å; V692-W716 HydrophobicContact CG1-CH2 4.09Å; V692-W716 HydrophobicContact CG1-CZ2 4.24Å; V692-W716 HydrophobicContact CG2-CH2 3.58Å; V692-W716 HydrophobicContact CG2-CZ2 3.93Å; V692-W719 HydrophobicContact CG2-CZ3 3.98Å; V692-W732 HydrophobicContact CB-CE3 3.48Å; V692-W732 VanDerWaalsContact CB-CE3 3.48Å; V692-W732 HydrophobicContact CB-CZ3 3.43Å; V692-W732 VanDerWaalsContact CB-CZ3 3.43Å; V692-W732 HydrophobicContact CG1-CE3 3.62Å; V692-W732 HydrophobicContact CG1-CZ3 4.11Å; V692-W732 HydrophobicContact CG2-CE3 3.43Å; V692-W732 VanDerWaalsContact CG2-CE3 3.43Å; V692-W732 HydrophobicContact CG2-CZ3 3.33Å |
| 693 | R | 53.7 | Low | 48.4 | Very low | 142 Ų | 142 | 56.9 Ų | 56.9 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 168.9 | -73.3 | 171.4 | 175.9 | 164.1 | -6.7 | 112.3 | L632 K689 D690 S695 F696 Y697 | L632-R693 HydrophobicContact CD2-CB 3.81Å; K689-R693 WeakPolarHBondContact O-CG 3.12Å; K689-R693 PolarHBondContact O-N 2.89Å; D690-R693 PolarHBondContact O-N 3.45Å; D690-R693 IonicContact OD1-NH1 3.52Å; D690-R693 PolarHBondContact OD1-NH1 2.87Å; D690-R693 VanDerWaalsContact OD1-NH1 3.12Å; R693-S695 PolarHBondContact O-N 3.35Å; R693-F696 CarbonylContact O-C 3.57Å; R693-F696 PolarHBondContact O-N 3.33Å; R693-Y697 PolarHBondContact O-N 2.86Å |
| 694 | L | 53.7 | Low | 48 | Very low | 31 Ų | 31 | 59.1 Ų | 59.1 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.2 | -91.8 | -158.6 | 0 | 0 | 0 | 113.2 | L628 H631 D690 L691 V692 F696 Y697 | L628-L694 HydrophobicContact CD2-CB 4.31Å; L628-L694 HydrophobicContact CD2-CD1 3.2Å; L628-L694 HydrophobicContact CD2-CG 3.63Å; H631-L694 HydrophobicContact CB-CD2 3.87Å; D690-L694 PolarHBondContact O-N 3.28Å; L691-L694 PolarHBondContact O-N 2.73Å; V692-L694 VanDerWaalsContact C-N 3.34Å; V692-L694 PolarHBondContact O-N 2.75Å; L694-F696 PolarHBondContact O-N 3.08Å; L694-Y697 WeakPolarHBondContact O-CB 3.48Å; L694-Y697 PolarHBondContact O-N 3.32Å |
| 695 | S | 52 | Low | 47.8 | Very low | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -25.9 | 178 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | L691 V692 R693 I707 W716 | L691-S695 PolarHBondContact O-N 2.97Å; V692-S695 PolarHBondContact O-N 3.43Å; V692-S695 PolarHBondContact O-OG 2.79Å; R693-S695 PolarHBondContact O-N 3.35Å; S695-I707 WeakPolarHBondContact O-CD1 3.44Å; S695-I707 WeakPolarHBondContact O-CG1 3.25Å; S695-W716 WeakPolarHBondContact OG-CZ2 3.17Å |
| 696 | F | 51.9 | Low | 47.7 | Very low | 29 Ų | 29 | 57.8 Ų | 57.8 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -1.6 | 175.8 | -61.8 | -57.5 | 0 | 0 | 0 | 114.2 | V692 R693 L694 S698 I707 W716 L736 N739 F743 | V692-F696 HydrophobicContact CG1-CD2 3.76Å; V692-F696 HydrophobicContact CG1-CE2 3.34Å; V692-F696 HydrophobicContact CG1-CZ 4.41Å; V692-F696 WeakPolarHBondContact O-CD2 3.37Å; V692-F696 PolarHBondContact O-N 2.91Å; R693-F696 CarbonylContact O-C 3.57Å; R693-F696 PolarHBondContact O-N 3.33Å; L694-F696 PolarHBondContact O-N 3.08Å; F696-S698 PolarHBondContact O-N 3.34Å; F696-I707 HydrophobicContact CD1-CD1 3.81Å; F696-I707 HydrophobicContact CE1-CD1 4.18Å; F696-W716 HydrophobicContact CE2-CZ2 4.46Å; F696-W716 HydrophobicContact CZ-CZ2 4.24Å; F696-L736 HydrophobicContact CE1-CG 4.25Å; F696-L736 HydrophobicContact CZ-CB 3.8Å; F696-L736 HydrophobicContact CZ-CD1 3.85Å; F696-L736 HydrophobicContact CZ-CG 3.7Å; F696-N739 HydrophobicContact CD1-CB 3.72Å; F696-N739 WeakPolarHBondContact CD1-ND2 3.3Å; F696-N739 VanDerWaalsContact CD2-ND2 3.34Å; F696-N739 WeakPolarHBondContact CD2-ND2 3.42Å; F696-N739 HydrophobicContact CE1-CB 3.54Å; F696-N739 WeakPolarHBondContact CE1-ND2 3.43Å; F696-N739 WeakPolarHBondContact CG-ND2 3.49Å; F696-N739 HydrophobicContact CZ-CB 4.22Å; F696-F743 HydrophobicContact CD1-CE2 4.09Å |
| 697 | Y | 48.8 | Very low | 47.3 | Very low | 66 Ų | 66 | 54.8 Ų | 54.8 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | trans | -66.8 | 105 | -179.9 | -169.8 | -89.6 | 0 | 0 | 0 | 108.8 | D634 R693 L694 D699 P706 | D634-Y697 PolarHBondContact OD1-OH 3.4Å; D634-Y697 VanDerWaalsContact OD1-OH 3.09Å; R693-Y697 PolarHBondContact O-N 2.86Å; L694-Y697 WeakPolarHBondContact O-CB 3.48Å; L694-Y697 PolarHBondContact O-N 3.32Å; Y697-D699 WeakPolarHBondContact CE1-OD1 2.89Å; Y697-P706 WeakPolarHBondContact O-CG 3.49Å | ||
| 698 | S | 43.5 | Very low | 46.9 | Very low | 59 Ų | 59 | 57.6 Ų | 57.6 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | trans | -96.9 | 109.5 | 170.8 | 59.2 | 0 | 0 | 0 | 0 | 108.2 | F696 S700 | F696-S698 PolarHBondContact O-N 3.34Å; S698-S700 PolarHBondContact O-N 3.06Å | ||
| 699 | D | 41.4 | Very low | 47 | Very low | 59 Ų | 59 | 58.1 Ų | 58.1 | 32% | 0.316 | 34% | 0.336 | S | S | . | . | trans | -60.2 | 127.4 | 159.8 | -95.8 | -27.8 | 0 | 0 | 0 | 106.9 | K650 Y697 T701 S702 | K650-D699 IonicContact NZ-OD1 2.84Å; K650-D699 PolarHBondContact NZ-OD1 3.13Å; K650-D699 IonicContact NZ-OD2 2.78Å; Y697-D699 WeakPolarHBondContact CE1-OD1 2.89Å; D699-T701 PolarHBondContact O-N 3.42Å; D699-S702 PolarHBondContact O-N 2.88Å | ||
| 700 | S | 39 | Very low | 47 | Very low | 126 Ų | 126 | 62.6 Ų | 62.6 | 88% | 0.881 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11 | 175.1 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | S698 | S698-S700 PolarHBondContact O-N 3.06Š|
| 701 | T | 38.5 | Very low | 46.9 | Very low | 119 Ų | 119 | 63 Ų | 63 | 73% | 0.73 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -10.3 | -174.3 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | D699 | D699-T701 PolarHBondContact O-N 3.42Š|
| 702 | S | 40.6 | Very low | 46.9 | Very low | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | trans | -105.5 | 121.3 | 179.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | D699 V704 | D699-S702 PolarHBondContact O-N 2.88Å; S702-V704 PolarHBondContact O-N 3.34Å; S702-V704 PolarHBondContact OG-N 3.41Å; S702-V704 PolarHBondContact OG-O 3.15Å | ||
| 703 | P | 36.1 | Very low | 47.2 | Very low | 129 Ų | 129 | 65.1 Ų | 65.1 | 84% | 0.838 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -71.9 | -17.7 | 171.6 | 27.6 | -31.3 | 0 | 0 | 0 | 112.7 | L705 | P703-L705 PolarHBondContact O-N 3.47Š|
| 704 | V | 40.2 | Very low | 47.6 | Very low | 105 Ų | 105 | 61.3 Ų | 61.3 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -89.1 | 106.2 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | S702 | S702-V704 PolarHBondContact O-N 3.34Å; S702-V704 PolarHBondContact OG-N 3.41Å; S702-V704 PolarHBondContact OG-O 3.15Å |
| 705 | L | 43.7 | Very low | 47.8 | Very low | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | trans | -66.8 | 132.9 | 175.7 | -120.6 | 113.7 | 0 | 0 | 0 | 110.4 | P703 I707 C708 F743 | P703-L705 PolarHBondContact O-N 3.47Å; L705-I707 HydrophobicContact CD2-CB 4.13Å; L705-I707 HydrophobicContact CD2-CD1 3.95Å; L705-I707 HydrophobicContact CD2-CG1 4.12Å; L705-I707 PolarHBondContact O-N 3.43Å; L705-I707 VanDerWaalsContact O-N 3.16Å; L705-C708 WeakPolarHBondContact O-CB 3.43Å; L705-C708 PolarHBondContact O-N 3.1Å; L705-F743 HydrophobicContact CD1-CD1 3.65Å; L705-F743 HydrophobicContact CD1-CE1 3.84Å; L705-F743 HydrophobicContact CD2-CD1 3.34Å; L705-F743 HydrophobicContact CD2-CD2 4.15Å; L705-F743 HydrophobicContact CD2-CE1 3.25Å; L705-F743 HydrophobicContact CD2-CE2 4.06Å; L705-F743 HydrophobicContact CD2-CG 3.84Å; L705-F743 HydrophobicContact CD2-CZ 3.64Å; L705-F743 HydrophobicContact CG-CD1 4.1Å; L705-F743 HydrophobicContact CG-CE1 4.02Å | ||
| 706 | P | 46.7 | Very low | 48.2 | Very low | 46 Ų | 46 | 60.1 Ų | 60.1 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -56.1 | -32.9 | 177.3 | -27.1 | 35 | 0 | 0 | 0 | 113.7 | Y697 C708 S709 I712 | Y697-P706 WeakPolarHBondContact O-CG 3.49Å; P706-C708 PolarHBondContact O-N 3.22Å; P706-C708 VanDerWaalsContact O-N 3.13Å; P706-S709 WeakPolarHBondContact O-CB 3.22Å; P706-S709 PolarHBondContact O-N 2.77Å; P706-S709 PolarHBondContact O-OG 3.49Å; P706-I712 HydrophobicContact CB-CD1 3.85Å; P706-I712 WeakPolarHBondContact O-CD1 3.47Å |
| 707 | I | 42.9 | Very low | 48.7 | Very low | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -56.2 | -28.2 | 176.8 | -62.6 | 176.7 | 0 | 0 | 0 | 112.1 | S695 F696 L705 S709 F743 F757 | S695-I707 WeakPolarHBondContact O-CD1 3.44Å; S695-I707 WeakPolarHBondContact O-CG1 3.25Å; F696-I707 HydrophobicContact CD1-CD1 3.81Å; F696-I707 HydrophobicContact CE1-CD1 4.18Å; L705-I707 HydrophobicContact CD2-CB 4.13Å; L705-I707 HydrophobicContact CD2-CD1 3.95Å; L705-I707 HydrophobicContact CD2-CG1 4.12Å; L705-I707 PolarHBondContact O-N 3.43Å; L705-I707 VanDerWaalsContact O-N 3.16Å; I707-S709 PolarHBondContact O-N 2.84Å; I707-F743 HydrophobicContact CD1-CD2 3.8Å; I707-F743 HydrophobicContact CD1-CE2 3.5Å; I707-F743 VanDerWaalsContact CD1-CE2 3.5Å; I707-F743 HydrophobicContact CD1-CZ 4.21Å; I707-F757 HydrophobicContact CG2-CE1 4.03Å; I707-F757 HydrophobicContact CG2-CZ 4.1Å |
| 708 | C | 44.7 | Very low | 49.4 | Very low | 72 Ų | 72 | 58.8 Ų | 58.8 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -76.8 | -3.2 | 178.9 | -58.2 | 0 | 0 | 0 | 0 | 113.5 | L705 P706 F710 | L705-C708 WeakPolarHBondContact O-CB 3.43Å; L705-C708 PolarHBondContact O-N 3.1Å; P706-C708 PolarHBondContact O-N 3.22Å; P706-C708 VanDerWaalsContact O-N 3.13Å; C708-F710 PolarHBondContact O-N 3.36Å |
| 709 | S | 54.1 | Low | 50.1 | Low | 41 Ų | 41 | 56.2 Ų | 56.2 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -71.7 | 128.5 | 169.3 | 67.9 | 0 | 0 | 0 | 0 | 110.1 | P706 I707 S711 I712 Y713 | P706-S709 WeakPolarHBondContact O-CB 3.22Å; P706-S709 PolarHBondContact O-N 2.77Å; P706-S709 PolarHBondContact O-OG 3.49Å; I707-S709 PolarHBondContact O-N 2.84Å; S709-S711 WeakPolarHBondContact CB-OG 3.4Å; S709-S711 PolarHBondContact O-N 2.65Å; S709-S711 PolarHBondContact OG-OG 3.36Å; S709-S711 VanDerWaalsContact OG-OG 3.05Å; S709-I712 PolarHBondContact O-N 3Å; S709-I712 VanDerWaalsContact OG-CG1 3.29Å; S709-I712 WeakPolarHBondContact OG-CG1 3.23Å; S709-I712 PolarHBondContact OG-N 2.9Å; S709-Y713 PolarHBondContact O-N 3.28Å; S709-Y713 VanDerWaalsContact O-N 3.17Å |
| 710 | F | 53.7 | Low | 51.1 | Low | 167 Ų | 167 | 54 Ų | 54 | 73% | 0.732 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -51.8 | -28.6 | 176.1 | -173 | -96.6 | 0 | 0 | 0 | 112.5 | C708 N714 | C708-F710 PolarHBondContact O-N 3.36Å; F710-N714 VanDerWaalsContact O-CB 3.26Å; F710-N714 WeakPolarHBondContact O-CB 3.39Å; F710-N714 PolarHBondContact O-N 3.13Å |
| 711 | S | 53.3 | Low | 52.1 | Low | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.119 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 172.1 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | S709 T715 | S709-S711 WeakPolarHBondContact CB-OG 3.4Å; S709-S711 PolarHBondContact O-N 2.65Å; S709-S711 PolarHBondContact OG-OG 3.36Å; S709-S711 VanDerWaalsContact OG-OG 3.05Å; S711-T715 WeakPolarHBondContact O-CB 3.29Å; S711-T715 PolarHBondContact O-N 3.09Å; S711-T715 PolarHBondContact O-OG1 3.48Å |
| 712 | I | 54.6 | Low | 53 | Low | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 177.8 | -70 | 180 | 0 | 0 | 0 | 109.8 | L661 P706 S709 N714 T715 W716 | L661-I712 HydrophobicContact CD1-CD1 3.82Å; L661-I712 HydrophobicContact CD1-CG1 3.26Å; L661-I712 HydrophobicContact CD2-CG1 4.23Å; L661-I712 HydrophobicContact CG-CG1 4.31Å; P706-I712 HydrophobicContact CB-CD1 3.85Å; P706-I712 WeakPolarHBondContact O-CD1 3.47Å; S709-I712 PolarHBondContact O-N 3Å; S709-I712 VanDerWaalsContact OG-CG1 3.29Å; S709-I712 WeakPolarHBondContact OG-CG1 3.23Å; S709-I712 PolarHBondContact OG-N 2.9Å; I712-N714 PolarHBondContact O-N 3.34Å; I712-T715 WeakPolarHBondContact O-CB 3.33Å; I712-T715 PolarHBondContact O-N 3.17Å; I712-T715 VanDerWaalsContact O-N 3.17Å; I712-W716 VanDerWaalsContact CG2-CD1 3.49Å; I712-W716 PolarHBondContact O-N 2.88Å |
| 713 | Y | 58.5 | Low | 53.8 | Low | 51 Ų | 51 | 49.2 Ų | 49.2 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.4 | -50.3 | 174.3 | 177.4 | -93.1 | 0 | 0 | 0 | 112 | S709 T715 W716 N717 V756 M760 | S709-Y713 PolarHBondContact O-N 3.28Å; S709-Y713 VanDerWaalsContact O-N 3.17Å; Y713-T715 VanDerWaalsContact C-N 3.25Å; Y713-T715 PolarHBondContact O-N 3.49Å; Y713-W716 PolarHBondContact O-N 2.93Å; Y713-N717 HydrophobicContact CE1-CB 4.4Å; Y713-N717 WeakPolarHBondContact O-CB 3.36Å; Y713-N717 PolarHBondContact O-N 3.45Å; Y713-V756 HydrophobicContact CD2-CG1 3.49Å; Y713-V756 VanDerWaalsContact CD2-CG1 3.49Å; Y713-V756 HydrophobicContact CE2-CG1 3.76Å; Y713-V756 HydrophobicContact CG-CG1 4.45Å; Y713-M760 HydrophobicContact CD2-CE 3.35Å; Y713-M760 HydrophobicContact CD2-CG 4.32Å; Y713-M760 HydrophobicContact CE2-CE 4Å; Y713-M760 HydrophobicContact CE2-CG 4.02Å; Y713-M760 HydrophobicContact CG-CE 4.19Å |
| 714 | N | 61.2 | Low | 54.5 | Low | 62 Ų | 62 | 46.2 Ų | 46.2 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -33.9 | 179.9 | -170.8 | 49.8 | 0 | 0 | 0 | 112.2 | F710 I712 S718 | F710-N714 VanDerWaalsContact O-CB 3.26Å; F710-N714 WeakPolarHBondContact O-CB 3.39Å; F710-N714 PolarHBondContact O-N 3.13Å; I712-N714 PolarHBondContact O-N 3.34Å; N714-S718 VanDerWaalsContact O-CB 3.31Å; N714-S718 WeakPolarHBondContact O-CB 3.38Å; N714-S718 PolarHBondContact O-N 3.02Å |
| 715 | T | 58.4 | Low | 55 | Low | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -52.4 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | L661 S711 I712 Y713 N717 S718 W719 | L661-T715 HydrophobicContact CD2-CG2 4.32Å; L661-T715 PolarHBondContact O-OG1 3.19Å; S711-T715 WeakPolarHBondContact O-CB 3.29Å; S711-T715 PolarHBondContact O-N 3.09Å; S711-T715 PolarHBondContact O-OG1 3.48Å; I712-T715 WeakPolarHBondContact O-CB 3.33Å; I712-T715 PolarHBondContact O-N 3.17Å; I712-T715 VanDerWaalsContact O-N 3.17Å; Y713-T715 VanDerWaalsContact C-N 3.25Å; Y713-T715 PolarHBondContact O-N 3.49Å; T715-N717 VanDerWaalsContact C-N 3.34Å; T715-N717 PolarHBondContact O-N 2.97Å; T715-S718 WeakPolarHBondContact O-CB 3.25Å; T715-S718 PolarHBondContact O-N 3.25Å; T715-W719 HydrophobicContact CG2-CD2 3.96Å; T715-W719 HydrophobicContact CG2-CE3 4.45Å; T715-W719 HydrophobicContact CG2-CH2 3.85Å; T715-W719 HydrophobicContact CG2-CZ2 3.27Å; T715-W719 HydrophobicContact CG2-CZ3 4.39Å; T715-W719 PolarHBondContact O-N 3Å |
| 716 | W | 60.4 | Low | 55.4 | Low | 10 Ų | 10 | 43.6 Ų | 43.6 | 4% | 0.038 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 175.1 | -82.6 | 114.3 | 0 | 0 | 0 | 112.1 | V692 S695 F696 I712 Y713 S718 W719 L720 L736 M760 | V692-W716 HydrophobicContact CB-CH2 4.45Å; V692-W716 HydrophobicContact CG1-CH2 4.09Å; V692-W716 HydrophobicContact CG1-CZ2 4.24Å; V692-W716 HydrophobicContact CG2-CH2 3.58Å; V692-W716 HydrophobicContact CG2-CZ2 3.93Å; S695-W716 WeakPolarHBondContact OG-CZ2 3.17Å; F696-W716 HydrophobicContact CE2-CZ2 4.46Å; F696-W716 HydrophobicContact CZ-CZ2 4.24Å; I712-W716 VanDerWaalsContact CG2-CD1 3.49Å; I712-W716 PolarHBondContact O-N 2.88Å; Y713-W716 PolarHBondContact O-N 2.93Å; W716-S718 VanDerWaalsContact C-N 3.34Å; W716-S718 PolarHBondContact O-N 3.49Å; W716-W719 HydrophobicContact CD2-CE3 4.19Å; W716-W719 HydrophobicContact CD2-CZ3 4.5Å; W716-W719 AromaticContact CE3-CE3 3.82Å; W716-W719 HydrophobicContact CE3-CE3 3.82Å; W716-W719 HydrophobicContact CE3-CZ3 4.42Å; W716-W719 HydrophobicContact CH2-CE3 4.2Å; W716-W719 HydrophobicContact CH2-CZ3 4.15Å; W716-W719 HydrophobicContact CZ2-CZ3 4.26Å; W716-W719 AromaticContact CZ3-CE3 3.83Å; W716-W719 HydrophobicContact CZ3-CE3 3.83Å; W716-W719 HydrophobicContact CZ3-CZ3 4.24Å; W716-W719 PolarHBondContact O-N 3.34Å; W716-W719 VanDerWaalsContact O-N 3.16Å; W716-L720 WeakPolarHBondContact O-CB 3.4Å; W716-L720 WeakPolarHBondContact O-CG 3.5Å; W716-L720 PolarHBondContact O-N 3.02Å; W716-L736 HydrophobicContact CD2-CD1 3.69Å; W716-L736 HydrophobicContact CE3-CD1 3.43Å; W716-L736 VanDerWaalsContact CE3-CD1 3.43Å; W716-L736 HydrophobicContact CH2-CD1 3.13Å; W716-L736 HydrophobicContact CZ2-CD1 3.36Å; W716-L736 HydrophobicContact CZ3-CD1 3.16Å; W716-M760 HydrophobicContact CB-CE 4.1Å; W716-M760 HydrophobicContact CG-CE 4.5Å |
| 717 | N | 63.6 | Low | 55.7 | Low | 37 Ų | 37 | 43.6 Ų | 43.6 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.9 | -167.6 | 23.3 | 0 | 0 | 0 | 111.8 | Y713 T715 W719 L720 N721 | Y713-N717 HydrophobicContact CE1-CB 4.4Å; Y713-N717 WeakPolarHBondContact O-CB 3.36Å; Y713-N717 PolarHBondContact O-N 3.45Å; T715-N717 VanDerWaalsContact C-N 3.34Å; T715-N717 PolarHBondContact O-N 2.97Å; N717-W719 VanDerWaalsContact C-N 3.33Å; N717-W719 PolarHBondContact O-N 3.24Å; N717-L720 PolarHBondContact O-N 2.97Å; N717-N721 PolarHBondContact O-N 3.22Å; N717-N721 PolarHBondContact O-ND2 3.12Å |
| 718 | S | 61.7 | Low | 56 | Low | 31 Ų | 31 | 49.3 Ų | 49.3 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 174 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | S665 N714 T715 W716 N721 | S665-S718 WeakPolarHBondContact O-CB 3.09Å; S665-S718 PolarHBondContact O-OG 3.23Å; N714-S718 VanDerWaalsContact O-CB 3.31Å; N714-S718 WeakPolarHBondContact O-CB 3.38Å; N714-S718 PolarHBondContact O-N 3.02Å; T715-S718 WeakPolarHBondContact O-CB 3.25Å; T715-S718 PolarHBondContact O-N 3.25Å; W716-S718 VanDerWaalsContact C-N 3.34Å; W716-S718 PolarHBondContact O-N 3.49Å; S718-N721 PolarHBondContact O-N 3.19Å |
| 719 | W | 59.6 | Low | 56.3 | Low | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.5 | -40.9 | -179.9 | -62.5 | -3.7 | 0 | 0 | 0 | 112.7 | F668 L691 V692 T715 W716 N717 N721 C722 T725 | F668-W719 HydrophobicContact CD1-CB 4.33Å; F668-W719 AromaticContact CD1-CD1 3.16Å; F668-W719 HydrophobicContact CD1-CD2 4.11Å; F668-W719 AromaticContact CD1-CE2 3.94Å; F668-W719 AromaticContact CD1-CG 3.63Å; F668-W719 HydrophobicContact CD1-CG 3.63Å; F668-W719 AromaticContact CD1-NE1 3.37Å; F668-W719 AromaticContact CD2-CE2 3.79Å; F668-W719 AromaticContact CD2-CZ2 3.98Å; F668-W719 HydrophobicContact CD2-CZ2 3.98Å; F668-W719 AromaticContact CD2-NE1 3.68Å; F668-W719 HydrophobicContact CE1-CB 4.11Å; F668-W719 AromaticContact CE1-CD1 3.68Å; F668-W719 AromaticContact CE1-CD2 3.93Å; F668-W719 HydrophobicContact CE1-CD2 3.93Å; F668-W719 AromaticContact CE1-CG 3.64Å; F668-W719 HydrophobicContact CE1-CG 3.64Å; F668-W719 AromaticContact CE1-NE1 3.96Å; F668-W719 HydrophobicContact CE2-CD2 4.41Å; F668-W719 AromaticContact CE2-CE2 3.97Å; F668-W719 HydrophobicContact CE2-CZ2 4.06Å; F668-W719 AromaticContact CG-CD1 3.5Å; F668-W719 HydrophobicContact CG-CD2 4.38Å; F668-W719 AromaticContact CG-CE2 3.74Å; F668-W719 HydrophobicContact CG-CG 4.23Å; F668-W719 HydrophobicContact CG-CZ2 4.36Å; F668-W719 AromaticContact CG-NE1 3.16Å; F668-W719 HydrophobicContact CZ-CD2 4.08Å; F668-W719 HydrophobicContact CZ-CG 4.29Å; L691-W719 HydrophobicContact CB-CH2 4.21Å; L691-W719 HydrophobicContact CD1-CH2 4.35Å; L691-W719 HydrophobicContact CD1-CZ2 4.45Å; V692-W719 HydrophobicContact CG2-CZ3 3.98Å; T715-W719 HydrophobicContact CG2-CD2 3.96Å; T715-W719 HydrophobicContact CG2-CE3 4.45Å; T715-W719 HydrophobicContact CG2-CH2 3.85Å; T715-W719 HydrophobicContact CG2-CZ2 3.27Å; T715-W719 HydrophobicContact CG2-CZ3 4.39Å; T715-W719 PolarHBondContact O-N 3Å; W716-W719 HydrophobicContact CD2-CE3 4.19Å; W716-W719 HydrophobicContact CD2-CZ3 4.5Å; W716-W719 AromaticContact CE3-CE3 3.82Å; W716-W719 HydrophobicContact CE3-CE3 3.82Å; W716-W719 HydrophobicContact CE3-CZ3 4.42Å; W716-W719 HydrophobicContact CH2-CE3 4.2Å; W716-W719 HydrophobicContact CH2-CZ3 4.15Å; W716-W719 HydrophobicContact CZ2-CZ3 4.26Å; W716-W719 AromaticContact CZ3-CE3 3.83Å; W716-W719 HydrophobicContact CZ3-CE3 3.83Å; W716-W719 HydrophobicContact CZ3-CZ3 4.24Å; W716-W719 PolarHBondContact O-N 3.34Å; W716-W719 VanDerWaalsContact O-N 3.16Å; N717-W719 VanDerWaalsContact C-N 3.33Å; N717-W719 PolarHBondContact O-N 3.24Å; W719-N721 PolarHBondContact O-N 3.38Å; W719-C722 PolarHBondContact O-N 2.83Å; W719-T725 PolarHBondContact O-OG1 3.47Å |
| 720 | L | 61.1 | Low | 56.2 | Low | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -27.3 | 175.6 | -70.1 | 171.4 | 0 | 0 | 0 | 112.5 | W716 N717 C722 F733 R763 I767 | W716-L720 WeakPolarHBondContact O-CB 3.4Å; W716-L720 WeakPolarHBondContact O-CG 3.5Å; W716-L720 PolarHBondContact O-N 3.02Å; N717-L720 PolarHBondContact O-N 2.97Å; L720-C722 VanDerWaalsContact C-N 3.35Å; L720-F733 HydrophobicContact CD2-CD1 4.49Å; L720-F733 HydrophobicContact CD2-CE1 3.55Å; L720-F733 HydrophobicContact CD2-CZ 4.32Å; L720-R763 HydrophobicContact CD1-CG 4.49Å; L720-I767 HydrophobicContact CD2-CD1 3.65Å |
| 721 | N | 60.8 | Low | 56.1 | Low | 90 Ų | 90 | 44.5 Ų | 44.5 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.5 | 178.6 | -70.2 | -28.4 | 0 | 0 | 0 | 114.2 | N717 S718 W719 R763 | N717-N721 PolarHBondContact O-N 3.22Å; N717-N721 PolarHBondContact O-ND2 3.12Å; S718-N721 PolarHBondContact O-N 3.19Å; W719-N721 PolarHBondContact O-N 3.38Å; N721-R763 PolarHBondContact OD1-NE 3.18Å; N721-R763 PolarHBondContact OD1-NH2 3.25Å |
| 722 | C | 58.4 | Low | 56.1 | Low | 17 Ų | 17 | 45.4 Ų | 45.4 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | trans | -91.6 | 120.4 | -178.4 | -167.5 | 0 | 0 | 0 | 0 | 110.5 | W719 L720 I724 T725 | W719-C722 PolarHBondContact O-N 2.83Å; L720-C722 VanDerWaalsContact C-N 3.35Å; C722-I724 PolarHBondContact O-N 3.08Å; C722-T725 HydrophobicContact CB-CG2 3.62Å; C722-T725 PolarHBondContact O-N 3.45Å; C722-T725 PolarHBondContact O-OG1 3.22Å | ||
| 723 | S | 55.4 | Low | 56.3 | Low | 95 Ų | 95 | 45.6 Ų | 45.6 | 66% | 0.664 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61 | -31 | 177.6 | 51 | 0 | 0 | 0 | 0 | 113.1 | T725 Q726 | S723-T725 VanDerWaalsContact C-N 3.29Å; S723-T725 PolarHBondContact O-N 2.78Å; S723-Q726 PolarHBondContact O-N 3.46Å |
| 724 | I | 50.8 | Low | 56.3 | Low | 66 Ų | 66 | 48.6 Ų | 48.6 | 34% | 0.338 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -31.3 | -178.7 | -61.4 | 170.2 | 0 | 0 | 0 | 111.7 | C672 L676 C722 | C672-I724 HydrophobicContact CB-CG2 4.24Å; L676-I724 HydrophobicContact CD1-CG2 3.34Å; C722-I724 PolarHBondContact O-N 3.08Å |
| 725 | T | 51.6 | Low | 56.1 | Low | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.8 | -25.3 | -174.7 | 63 | 0 | 0 | 0 | 0 | 111.8 | F668 W719 C722 S723 G727 Y728 L729 | F668-T725 HydrophobicContact CD1-CG2 3.98Å; F668-T725 HydrophobicContact CE1-CG2 3.39Å; F668-T725 HydrophobicContact CZ-CG2 4.4Å; W719-T725 PolarHBondContact O-OG1 3.47Å; C722-T725 HydrophobicContact CB-CG2 3.62Å; C722-T725 PolarHBondContact O-N 3.45Å; C722-T725 PolarHBondContact O-OG1 3.22Å; S723-T725 VanDerWaalsContact C-N 3.29Å; S723-T725 PolarHBondContact O-N 2.78Å; T725-G727 VanDerWaalsContact C-N 3.28Å; T725-G727 PolarHBondContact O-N 3.46Å; T725-Y728 PolarHBondContact O-N 3.49Å; T725-L729 VanDerWaalsContact O-CB 3.29Å; T725-L729 WeakPolarHBondContact O-CB 3.4Å; T725-L729 WeakPolarHBondContact O-CG 3.29Å; T725-L729 PolarHBondContact O-N 3.06Å |
| 726 | Q | 52.2 | Low | 56 | Low | 71 Ų | 71 | 51.1 Ų | 51.1 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -35 | -177 | -66.9 | 179.6 | -11.1 | 0 | 0 | 112.9 | S723 I767 | S723-Q726 PolarHBondContact O-N 3.46Å; Q726-I767 HydrophobicContact CB-CG2 4.41Å; Q726-I767 HydrophobicContact CG-CG2 4.01Å |
| 727 | G | 52.2 | Low | 56.1 | Low | 47 Ų | 47 | 55.5 Ų | 55.5 | 49% | 0.485 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.7 | -31.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | T725 | T725-G727 VanDerWaalsContact C-N 3.28Å; T725-G727 PolarHBondContact O-N 3.46Å |
| 728 | Y | 49.4 | Very low | 56.1 | Low | 132 Ų | 132 | 58.2 Ų | 58.2 | 52% | 0.518 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -91.2 | -24.9 | -177.6 | -81.7 | -84.5 | 0 | 0 | 0 | 113.5 | L676 T725 | L676-Y728 HydrophobicContact CD2-CE2 3.83Å; T725-Y728 PolarHBondContact O-N 3.49Å |
| 729 | L | 50.9 | Low | 55.9 | Low | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | trans | -89.5 | 9 | -176.6 | -71.4 | 171.8 | 0 | 0 | 0 | 113.7 | L688 T725 T731 W732 F733 | L688-L729 HydrophobicContact CD2-CD2 3.65Å; T725-L729 VanDerWaalsContact O-CB 3.29Å; T725-L729 WeakPolarHBondContact O-CB 3.4Å; T725-L729 WeakPolarHBondContact O-CG 3.29Å; T725-L729 PolarHBondContact O-N 3.06Å; L729-T731 PolarHBondContact O-N 2.97Å; L729-W732 HydrophobicContact CB-CB 4.37Å; L729-W732 HydrophobicContact CD2-CB 3.93Å; L729-W732 HydrophobicContact CD2-CD2 3.94Å; L729-W732 HydrophobicContact CD2-CE3 3.7Å; L729-W732 HydrophobicContact CD2-CG 4.05Å; L729-W732 HydrophobicContact CD2-CZ3 4.21Å; L729-W732 CarbonylContact O-C 3.6Å; L729-W732 WeakPolarHBondContact O-CA 3.35Å; L729-W732 WeakPolarHBondContact O-CB 3.31Å; L729-W732 PolarHBondContact O-N 3.28Å; L729-F733 HydrophobicContact CB-CD2 3.88Å; L729-F733 HydrophobicContact CB-CE2 3.57Å; L729-F733 HydrophobicContact CB-CZ 4.14Å; L729-F733 WeakPolarHBondContact O-CD2 3.27Å; L729-F733 PolarHBondContact O-N 2.91Å | ||
| 730 | Q | 52.2 | Low | 56 | Low | 76 Ų | 76 | 58.8 Ų | 58.8 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.2 | -49.2 | -175.4 | -177.4 | 157.5 | 10.2 | 0 | 0 | 113.6 | W732 L769 | Q730-W732 PolarHBondContact O-N 2.96Å; Q730-W732 VanDerWaalsContact O-N 3.17Å; Q730-L769 HydrophobicContact CB-CD2 4Å; Q730-L769 HydrophobicContact CG-CD2 3.69Å |
| 731 | T | 52.2 | Low | 56 | Low | 97 Ų | 97 | 62 Ų | 62 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.9 | -17.9 | 175.1 | 23.7 | 0 | 0 | 0 | 0 | 113.6 | L729 | L729-T731 PolarHBondContact O-N 2.97Å |
| 732 | W | 53.2 | Low | 56 | Low | 36 Ų | 36 | 62.1 Ų | 62.1 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -102.1 | -29.3 | -170.9 | -60.8 | 44.1 | 0 | 0 | 0 | 111.3 | L688 K689 V692 L729 Q730 E734 Q735 L736 | L688-W732 VanDerWaalsContact C-CZ3 3.46Å; L688-W732 HydrophobicContact CB-CH2 3.83Å; L688-W732 HydrophobicContact CB-CZ3 4.26Å; L688-W732 HydrophobicContact CD2-CE3 4.42Å; L688-W732 HydrophobicContact CD2-CH2 3.66Å; L688-W732 HydrophobicContact CD2-CZ3 3.66Å; L688-W732 HydrophobicContact CG-CH2 4.3Å; L688-W732 HydrophobicContact CG-CZ3 4.38Å; L688-W732 WeakPolarHBondContact O-CH2 3.34Å; L688-W732 WeakPolarHBondContact O-CZ3 3.5Å; K689-W732 HydrophobicContact CB-CH2 3.86Å; K689-W732 HydrophobicContact CB-CZ2 4.11Å; K689-W732 HydrophobicContact CG-CH2 3.48Å; K689-W732 VanDerWaalsContact CG-CH2 3.48Å; K689-W732 HydrophobicContact CG-CZ2 3.26Å; V692-W732 HydrophobicContact CB-CE3 3.48Å; V692-W732 VanDerWaalsContact CB-CE3 3.48Å; V692-W732 HydrophobicContact CB-CZ3 3.43Å; V692-W732 VanDerWaalsContact CB-CZ3 3.43Å; V692-W732 HydrophobicContact CG1-CE3 3.62Å; V692-W732 HydrophobicContact CG1-CZ3 4.11Å; V692-W732 HydrophobicContact CG2-CE3 3.43Å; V692-W732 VanDerWaalsContact CG2-CE3 3.43Å; V692-W732 HydrophobicContact CG2-CZ3 3.33Å; L729-W732 HydrophobicContact CB-CB 4.37Å; L729-W732 HydrophobicContact CD2-CB 3.93Å; L729-W732 HydrophobicContact CD2-CD2 3.94Å; L729-W732 HydrophobicContact CD2-CE3 3.7Å; L729-W732 HydrophobicContact CD2-CG 4.05Å; L729-W732 HydrophobicContact CD2-CZ3 4.21Å; L729-W732 CarbonylContact O-C 3.6Å; L729-W732 WeakPolarHBondContact O-CA 3.35Å; L729-W732 WeakPolarHBondContact O-CB 3.31Å; L729-W732 PolarHBondContact O-N 3.28Å; Q730-W732 PolarHBondContact O-N 2.96Å; Q730-W732 VanDerWaalsContact O-N 3.17Å; W732-E734 PolarHBondContact O-N 3.4Å; W732-Q735 PolarHBondContact O-N 3.48Å; W732-L736 VanDerWaalsContact O-CB 3.23Å; W732-L736 WeakPolarHBondContact O-CB 3.45Å; W732-L736 PolarHBondContact O-N 2.97Å |
| 733 | F | 58.2 | Low | 56 | Low | 11 Ų | 11 | 61.5 Ų | 61.5 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.6 | -39.3 | 164.5 | -76.3 | -63.4 | 0 | 0 | 0 | 111 | L720 L729 L736 R737 I764 I767 L769 | L720-F733 HydrophobicContact CD2-CD1 4.49Å; L720-F733 HydrophobicContact CD2-CE1 3.55Å; L720-F733 HydrophobicContact CD2-CZ 4.32Å; L729-F733 HydrophobicContact CB-CD2 3.88Å; L729-F733 HydrophobicContact CB-CE2 3.57Å; L729-F733 HydrophobicContact CB-CZ 4.14Å; L729-F733 WeakPolarHBondContact O-CD2 3.27Å; L729-F733 PolarHBondContact O-N 2.91Å; F733-L736 PolarHBondContact O-N 3.45Å; F733-R737 VanDerWaalsContact O-CB 3.26Å; F733-R737 WeakPolarHBondContact O-CB 3.31Å; F733-R737 PolarHBondContact O-N 3.21Å; F733-I764 HydrophobicContact CD1-CG2 4.47Å; F733-I767 HydrophobicContact CD1-CD1 4.46Å; F733-I767 HydrophobicContact CE1-CD1 3.51Å; F733-I767 HydrophobicContact CZ-CD1 3.66Å; F733-I767 HydrophobicContact CZ-CG2 4.45Å; F733-L769 HydrophobicContact CD2-CD2 4.2Å |
| 734 | E | 59.8 | Low | 56 | Low | 114 Ų | 114 | 59.7 Ų | 59.7 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 174.6 | -68.3 | -169 | 167.1 | 0 | 0 | 111.9 | W732 L736 R737 V738 | W732-E734 PolarHBondContact O-N 3.4Å; E734-L736 VanDerWaalsContact C-N 3.32Å; E734-L736 PolarHBondContact O-N 3.35Å; E734-R737 PolarHBondContact O-N 2.85Å; E734-V738 WeakPolarHBondContact O-CG2 3.49Å; E734-V738 PolarHBondContact O-N 2.92Å |
| 735 | Q | 55.7 | Low | 56.4 | Low | 110 Ų | 110 | 60 Ų | 60 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 174.2 | -105.6 | 175.6 | -13.1 | 0 | 0 | 112.7 | W732 V738 N739 | W732-Q735 PolarHBondContact O-N 3.48Å; Q735-V738 PolarHBondContact O-N 3.01Å; Q735-N739 WeakPolarHBondContact O-CB 3.42Å; Q735-N739 VanDerWaalsContact O-CG 3.27Å; Q735-N739 PolarHBondContact O-N 3.01Å; Q735-N739 PolarHBondContact O-ND2 3.39Å |
| 736 | L | 57.1 | Low | 56.7 | Low | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 178.7 | -164.3 | 143 | 0 | 0 | 0 | 111.6 | F696 W716 W732 F733 E734 N739 I740 I764 | F696-L736 HydrophobicContact CE1-CG 4.25Å; F696-L736 HydrophobicContact CZ-CB 3.8Å; F696-L736 HydrophobicContact CZ-CD1 3.85Å; F696-L736 HydrophobicContact CZ-CG 3.7Å; W716-L736 HydrophobicContact CD2-CD1 3.69Å; W716-L736 HydrophobicContact CE3-CD1 3.43Å; W716-L736 VanDerWaalsContact CE3-CD1 3.43Å; W716-L736 HydrophobicContact CH2-CD1 3.13Å; W716-L736 HydrophobicContact CZ2-CD1 3.36Å; W716-L736 HydrophobicContact CZ3-CD1 3.16Å; W732-L736 VanDerWaalsContact O-CB 3.23Å; W732-L736 WeakPolarHBondContact O-CB 3.45Å; W732-L736 PolarHBondContact O-N 2.97Å; F733-L736 PolarHBondContact O-N 3.45Å; E734-L736 VanDerWaalsContact C-N 3.32Å; E734-L736 PolarHBondContact O-N 3.35Å; L736-N739 PolarHBondContact O-N 3.4Å; L736-I740 HydrophobicContact CD2-CD1 3.43Å; L736-I740 VanDerWaalsContact CD2-CD1 3.43Å; L736-I740 HydrophobicContact CD2-CG1 4.12Å; L736-I740 HydrophobicContact CG-CD1 4.46Å; L736-I740 WeakPolarHBondContact O-CB 3.46Å; L736-I740 VanDerWaalsContact O-CG1 3.28Å; L736-I740 WeakPolarHBondContact O-CG1 3.34Å; L736-I740 PolarHBondContact O-N 3.43Å; L736-I764 HydrophobicContact CD2-CD1 3.18Å; L736-I764 HydrophobicContact CD2-CG1 4.04Å |
| 737 | R | 61.7 | Low | 56.7 | Low | 103 Ų | 103 | 63.1 Ų | 63.1 | 39% | 0.389 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 172.1 | -176.9 | -177.7 | -81.9 | 162.5 | -8 | 111.4 | F733 E734 N739 I740 N741 D765 | F733-R737 VanDerWaalsContact O-CB 3.26Å; F733-R737 WeakPolarHBondContact O-CB 3.31Å; F733-R737 PolarHBondContact O-N 3.21Å; E734-R737 PolarHBondContact O-N 2.85Å; R737-N739 VanDerWaalsContact C-N 3.35Å; R737-N739 PolarHBondContact O-N 3.49Å; R737-I740 PolarHBondContact O-N 2.99Å; R737-N741 PolarHBondContact O-N 3.38Å; R737-N741 VanDerWaalsContact O-N 3.09Å; R737-N741 PolarHBondContact O-ND2 3.47Å; R737-N741 PolarHBondContact O-OD1 2.89Å; R737-D765 IonicContact CZ-OD1 2.74Å; R737-D765 IonicContact NE-OD1 3.12Å; R737-D765 IonicContact NH2-OD1 3.15Å; R737-D765 PolarHBondContact NH2-OD1 2.93Å |
| 738 | V | 63.5 | Low | 56.6 | Low | 94 Ų | 94 | 68.8 Ų | 68.8 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | E734 Q735 N741 H742 | E734-V738 WeakPolarHBondContact O-CG2 3.49Å; E734-V738 PolarHBondContact O-N 2.92Å; Q735-V738 PolarHBondContact O-N 3.01Å; V738-N741 WeakPolarHBondContact O-CB 3.4Å; V738-N741 PolarHBondContact O-N 2.89Å; V738-H742 PolarHBondContact O-N 2.93Å |
| 739 | N | 58.2 | Low | 56.9 | Low | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.3 | -41.7 | -179.8 | -75.5 | -19.1 | 0 | 0 | 0 | 112.7 | F696 Q735 L736 R737 N741 H742 F743 | F696-N739 HydrophobicContact CD1-CB 3.72Å; F696-N739 WeakPolarHBondContact CD1-ND2 3.3Å; F696-N739 VanDerWaalsContact CD2-ND2 3.34Å; F696-N739 WeakPolarHBondContact CD2-ND2 3.42Å; F696-N739 HydrophobicContact CE1-CB 3.54Å; F696-N739 WeakPolarHBondContact CE1-ND2 3.43Å; F696-N739 WeakPolarHBondContact CG-ND2 3.49Å; F696-N739 HydrophobicContact CZ-CB 4.22Å; Q735-N739 WeakPolarHBondContact O-CB 3.42Å; Q735-N739 VanDerWaalsContact O-CG 3.27Å; Q735-N739 PolarHBondContact O-N 3.01Å; Q735-N739 PolarHBondContact O-ND2 3.39Å; L736-N739 PolarHBondContact O-N 3.4Å; R737-N739 VanDerWaalsContact C-N 3.35Å; R737-N739 PolarHBondContact O-N 3.49Å; N739-N741 VanDerWaalsContact C-N 3.26Å; N739-N741 PolarHBondContact O-N 3.06Å; N739-H742 CarbonylContact O-C 3.42Å; N739-H742 WeakPolarHBondContact O-CB 3.13Å; N739-H742 PolarHBondContact O-N 3.06Å; N739-H742 VanDerWaalsContact O-N 3.11Å; N739-F743 HydrophobicContact CB-CD2 4.21Å; N739-F743 HydrophobicContact CB-CE2 3.86Å; N739-F743 WeakPolarHBondContact O-CD2 3.41Å; N739-F743 WeakPolarHBondContact O-CG 3.49Å; N739-F743 PolarHBondContact O-N 2.9Å |
| 740 | I | 60.5 | Low | 57.3 | Low | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.9 | -43.6 | 172.5 | -74.9 | 177.2 | 0 | 0 | 0 | 110.3 | L736 R737 H742 F743 E744 F757 M760 I764 | L736-I740 HydrophobicContact CD2-CD1 3.43Å; L736-I740 VanDerWaalsContact CD2-CD1 3.43Å; L736-I740 HydrophobicContact CD2-CG1 4.12Å; L736-I740 HydrophobicContact CG-CD1 4.46Å; L736-I740 WeakPolarHBondContact O-CB 3.46Å; L736-I740 VanDerWaalsContact O-CG1 3.28Å; L736-I740 WeakPolarHBondContact O-CG1 3.34Å; L736-I740 PolarHBondContact O-N 3.43Å; R737-I740 PolarHBondContact O-N 2.99Å; I740-H742 VanDerWaalsContact C-N 3.33Å; I740-H742 PolarHBondContact O-N 3.01Å; I740-F743 PolarHBondContact O-N 2.85Å; I740-E744 WeakPolarHBondContact O-CB 3.49Å; I740-E744 PolarHBondContact O-N 3.26Å; I740-F757 HydrophobicContact CG1-CD1 4.28Å; I740-F757 HydrophobicContact CG2-CD1 4.25Å; I740-M760 HydrophobicContact CD1-CB 4.03Å; I740-M760 HydrophobicContact CD1-SD 4.39Å; I740-I764 HydrophobicContact CD1-CD1 3.34Å |
| 741 | N | 62.9 | Low | 57.4 | Low | 79 Ų | 79 | 70.1 Ų | 70.1 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 176.3 | -64.5 | -10.3 | 0 | 0 | 0 | 111.6 | R737 V738 N739 R761 | R737-N741 PolarHBondContact O-N 3.38Å; R737-N741 VanDerWaalsContact O-N 3.09Å; R737-N741 PolarHBondContact O-ND2 3.47Å; R737-N741 PolarHBondContact O-OD1 2.89Å; V738-N741 WeakPolarHBondContact O-CB 3.4Å; V738-N741 PolarHBondContact O-N 2.89Å; N739-N741 VanDerWaalsContact C-N 3.26Å; N739-N741 PolarHBondContact O-N 3.06Å; N741-R761 PolarHBondContact OD1-NH2 3.23Å |
| 742 | H | 60.2 | Low | 57.4 | Low | 93 Ų | 93 | 71.6 Ų | 71.6 | 43% | 0.431 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.5 | -175.1 | 74.9 | 0 | 0 | 0 | 112.3 | V738 N739 I740 S745 K746 | V738-H742 PolarHBondContact O-N 2.93Å; N739-H742 CarbonylContact O-C 3.42Å; N739-H742 WeakPolarHBondContact O-CB 3.13Å; N739-H742 PolarHBondContact O-N 3.06Å; N739-H742 VanDerWaalsContact O-N 3.11Å; I740-H742 VanDerWaalsContact C-N 3.33Å; I740-H742 PolarHBondContact O-N 3.01Å; H742-S745 PolarHBondContact O-OG 3.32Å; H742-K746 WeakPolarHBondContact NE2-CE 3.46Å; H742-K746 PolarHBondContact NE2-NZ 3.49Å |
| 743 | F | 57 | Low | 57.6 | Low | 5 Ų | 5 | 70.2 Ų | 70.2 | 2% | 0.022 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -78.5 | -33 | -177.7 | -66.9 | -54 | 0 | 0 | 0 | 113.8 | F696 L705 I707 N739 I740 S745 K746 V747 F757 | F696-F743 HydrophobicContact CD1-CE2 4.09Å; L705-F743 HydrophobicContact CD1-CD1 3.65Å; L705-F743 HydrophobicContact CD1-CE1 3.84Å; L705-F743 HydrophobicContact CD2-CD1 3.34Å; L705-F743 HydrophobicContact CD2-CD2 4.15Å; L705-F743 HydrophobicContact CD2-CE1 3.25Å; L705-F743 HydrophobicContact CD2-CE2 4.06Å; L705-F743 HydrophobicContact CD2-CG 3.84Å; L705-F743 HydrophobicContact CD2-CZ 3.64Å; L705-F743 HydrophobicContact CG-CD1 4.1Å; L705-F743 HydrophobicContact CG-CE1 4.02Å; I707-F743 HydrophobicContact CD1-CD2 3.8Å; I707-F743 HydrophobicContact CD1-CE2 3.5Å; I707-F743 VanDerWaalsContact CD1-CE2 3.5Å; I707-F743 HydrophobicContact CD1-CZ 4.21Å; N739-F743 HydrophobicContact CB-CD2 4.21Å; N739-F743 HydrophobicContact CB-CE2 3.86Å; N739-F743 WeakPolarHBondContact O-CD2 3.41Å; N739-F743 WeakPolarHBondContact O-CG 3.49Å; N739-F743 PolarHBondContact O-N 2.9Å; I740-F743 PolarHBondContact O-N 2.85Å; F743-S745 PolarHBondContact O-N 3.28Å; F743-K746 HydrophobicContact CD1-CD 4.45Å; F743-K746 WeakPolarHBondContact O-CA 3.43Å; F743-K746 WeakPolarHBondContact O-CB 3.35Å; F743-K746 PolarHBondContact O-N 2.99Å; F743-V747 VanDerWaalsContact O-CG2 3.29Å; F743-V747 WeakPolarHBondContact O-CG2 3.37Å; F743-V747 PolarHBondContact O-N 2.84Å; F743-V747 VanDerWaalsContact O-N 3.11Å; F743-F757 HydrophobicContact CB-CE1 4.29Å; F743-F757 HydrophobicContact CB-CZ 4.16Å |
| 744 | E | 56.8 | Low | 57.6 | Low | 56 Ų | 56 | 72.8 Ų | 72.8 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.9 | -35.5 | 173.4 | -166.5 | 177.5 | -152.4 | 0 | 0 | 111.1 | I740 K746 V747 R761 | I740-E744 WeakPolarHBondContact O-CB 3.49Å; I740-E744 PolarHBondContact O-N 3.26Å; E744-K746 PolarHBondContact O-N 3.28Å; E744-V747 PolarHBondContact O-N 2.86Å; E744-R761 IonicContact OE1-NH1 2.73Å; E744-R761 PolarHBondContact OE1-NH1 3.25Å; E744-R761 IonicContact OE2-CZ 2.59Å; E744-R761 IonicContact OE2-NH1 3.05Å; E744-R761 PolarHBondContact OE2-NH1 3.48Å; E744-R761 IonicContact OE2-NH2 2.91Å; E744-R761 PolarHBondContact OE2-NH2 2.92Å |
| 745 | S | 58.6 | Low | 57.8 | Low | 74 Ų | 74 | 72.3 Ų | 72.3 | 52% | 0.517 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -24.8 | 173.4 | 79 | 0 | 0 | 0 | 0 | 114.1 | H742 F743 | H742-S745 PolarHBondContact O-OG 3.32Å; F743-S745 PolarHBondContact O-N 3.28Å |
| 746 | K | 58.2 | Low | 58 | Low | 117 Ų | 117 | 69.5 Ų | 69.5 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -92 | -19 | 179.2 | -71.6 | -179.5 | 173.6 | 170 | 0 | 113.8 | H742 F743 E744 | H742-K746 WeakPolarHBondContact NE2-CE 3.46Å; H742-K746 PolarHBondContact NE2-NZ 3.49Å; F743-K746 HydrophobicContact CD1-CD 4.45Å; F743-K746 WeakPolarHBondContact O-CA 3.43Å; F743-K746 WeakPolarHBondContact O-CB 3.35Å; F743-K746 PolarHBondContact O-N 2.99Å; E744-K746 PolarHBondContact O-N 3.28Å |
| 747 | V | 52.1 | Low | 58.2 | Low | 24 Ų | 24 | 69.6 Ų | 69.6 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -98.5 | 1.7 | -172.3 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | F743 E744 G749 D750 F757 | F743-V747 VanDerWaalsContact O-CG2 3.29Å; F743-V747 WeakPolarHBondContact O-CG2 3.37Å; F743-V747 PolarHBondContact O-N 2.84Å; F743-V747 VanDerWaalsContact O-N 3.11Å; E744-V747 PolarHBondContact O-N 2.86Å; V747-G749 PolarHBondContact O-N 2.87Å; V747-D750 HydrophobicContact CG1-CB 4.28Å; V747-D750 PolarHBondContact O-N 3.33Å; V747-D750 VanDerWaalsContact O-N 3.13Å; V747-F757 HydrophobicContact CG1-CD2 4.38Å; V747-F757 HydrophobicContact CG1-CE2 4.4Å; V747-F757 HydrophobicContact CG2-CD2 4.43Å; V747-F757 HydrophobicContact CG2-CE2 3.87Å |
| 748 | Q | 50.1 | Low | 58.4 | Low | 165 Ų | 165 | 68.6 Ų | 68.6 | 77% | 0.771 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 109.2 | 175.1 | -73.8 | -173.4 | -12.2 | 0 | 0 | 110.9 | ||
| 749 | G | 56.9 | Low | 58.6 | Low | 73 Ų | 73 | 66.1 Ų | 66.1 | 75% | 0.753 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.8 | -12.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | V747 | V747-G749 PolarHBondContact O-N 2.87Š|
| 750 | D | 58.4 | Low | 58.8 | Low | 78 Ų | 78 | 64.7 Ų | 64.7 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | trans | -104.6 | 106.5 | 172.9 | -179.1 | 7.3 | 0 | 0 | 0 | 111.2 | V747 I752 G753 E754 | V747-D750 HydrophobicContact CG1-CB 4.28Å; V747-D750 PolarHBondContact O-N 3.33Å; V747-D750 VanDerWaalsContact O-N 3.13Å; D750-I752 VanDerWaalsContact C-N 3.3Å; D750-I752 PolarHBondContact O-N 2.9Å; D750-I752 PolarHBondContact OD1-N 3.49Å; D750-G753 PolarHBondContact O-N 3.33Å; D750-E754 PolarHBondContact O-N 3.18Å | ||
| 751 | P | 53.7 | Low | 59 | Low | 91 Ų | 91 | 67.8 Ų | 67.8 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.5 | -34.3 | -176.3 | 23.8 | -32.2 | 0 | 0 | 0 | 113 | D755 | P751-D755 PolarHBondContact O-N 2.94Å; P751-D755 VanDerWaalsContact O-N 3.11Å |
| 752 | I | 53.6 | Low | 59.2 | Low | 127 Ų | 127 | 68.6 Ų | 68.6 | 65% | 0.651 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.3 | -43.7 | 179.4 | -61.8 | 173.5 | 0 | 0 | 0 | 109.8 | D750 D755 V756 | D750-I752 VanDerWaalsContact C-N 3.3Å; D750-I752 PolarHBondContact O-N 2.9Å; D750-I752 PolarHBondContact OD1-N 3.49Å; I752-D755 PolarHBondContact O-N 3.29Å; I752-V756 HydrophobicContact CG2-CG2 4.49Å; I752-V756 VanDerWaalsContact O-CG2 3.28Å; I752-V756 WeakPolarHBondContact O-CG2 3.45Å; I752-V756 PolarHBondContact O-N 3.06Å |
| 753 | G | 56.1 | Low | 59.4 | Low | 8 Ų | 8 | 69 Ų | 69 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.6 | -50 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D750 D755 V756 F757 | D750-G753 PolarHBondContact O-N 3.33Å; G753-D755 PolarHBondContact O-N 3.28Å; G753-V756 PolarHBondContact O-N 3.4Å; G753-F757 WeakPolarHBondContact O-CD2 3.5Å; G753-F757 PolarHBondContact O-N 2.85Å |
| 754 | E | 58.5 | Low | 59.7 | Low | 64 Ų | 64 | 69.2 Ų | 69.2 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 177.7 | -77.2 | -168.3 | -162.5 | 0 | 0 | 113 | D750 F757 K758 | D750-E754 PolarHBondContact O-N 3.18Å; E754-F757 PolarHBondContact O-N 2.77Å; E754-K758 WeakPolarHBondContact O-CB 3.42Å; E754-K758 VanDerWaalsContact O-CG 3.26Å; E754-K758 WeakPolarHBondContact O-CG 3.48Å; E754-K758 PolarHBondContact O-N 3.28Å; E754-K758 IonicContact OE2-NZ 3.75Å; E754-K758 PolarHBondContact OE2-NZ 3.49Å |
| 755 | D | 64 | Low | 60.2 | Low | 105 Ų | 105 | 70.7 Ų | 70.7 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.6 | -39 | -179.7 | -80.1 | -13.8 | 0 | 0 | 0 | 112.5 | P751 I752 G753 S759 | P751-D755 PolarHBondContact O-N 2.94Å; P751-D755 VanDerWaalsContact O-N 3.11Å; I752-D755 PolarHBondContact O-N 3.29Å; G753-D755 PolarHBondContact O-N 3.28Å; D755-S759 VanDerWaalsContact O-CB 3.22Å; D755-S759 WeakPolarHBondContact O-CB 3.36Å; D755-S759 PolarHBondContact O-N 3.34Å |
| 756 | V | 60.5 | Low | 60.5 | Low | 51 Ų | 51 | 71.3 Ų | 71.3 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | Y713 I752 G753 S759 M760 | Y713-V756 HydrophobicContact CD2-CG1 3.49Å; Y713-V756 VanDerWaalsContact CD2-CG1 3.49Å; Y713-V756 HydrophobicContact CE2-CG1 3.76Å; Y713-V756 HydrophobicContact CG-CG1 4.45Å; I752-V756 HydrophobicContact CG2-CG2 4.49Å; I752-V756 VanDerWaalsContact O-CG2 3.28Å; I752-V756 WeakPolarHBondContact O-CG2 3.45Å; I752-V756 PolarHBondContact O-N 3.06Å; G753-V756 PolarHBondContact O-N 3.4Å; V756-S759 WeakPolarHBondContact O-CB 3.49Å; V756-S759 PolarHBondContact O-N 2.86Å; V756-M760 PolarHBondContact O-N 3.37Å |
| 757 | F | 61.4 | Low | 60.6 | Low | 7 Ų | 7 | 66.6 Ų | 66.6 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 178.3 | -76.8 | -65.7 | 0 | 0 | 0 | 112.4 | I707 I740 F743 V747 G753 E754 S759 M760 R761 | I707-F757 HydrophobicContact CG2-CE1 4.03Å; I707-F757 HydrophobicContact CG2-CZ 4.1Å; I740-F757 HydrophobicContact CG1-CD1 4.28Å; I740-F757 HydrophobicContact CG2-CD1 4.25Å; F743-F757 HydrophobicContact CB-CE1 4.29Å; F743-F757 HydrophobicContact CB-CZ 4.16Å; V747-F757 HydrophobicContact CG1-CD2 4.38Å; V747-F757 HydrophobicContact CG1-CE2 4.4Å; V747-F757 HydrophobicContact CG2-CD2 4.43Å; V747-F757 HydrophobicContact CG2-CE2 3.87Å; G753-F757 WeakPolarHBondContact O-CD2 3.5Å; G753-F757 PolarHBondContact O-N 2.85Å; E754-F757 PolarHBondContact O-N 2.77Å; F757-S759 VanDerWaalsContact C-N 3.34Å; F757-S759 PolarHBondContact O-N 3.25Å; F757-M760 PolarHBondContact O-N 2.92Å; F757-R761 PolarHBondContact O-N 3.32Å |
| 758 | K | 65.7 | Low | 60.6 | Low | 83 Ų | 83 | 69.8 Ų | 69.8 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 172.3 | -76.3 | 168.4 | -170.8 | 154.3 | 0 | 111.4 | E754 R761 K762 | E754-K758 WeakPolarHBondContact O-CB 3.42Å; E754-K758 VanDerWaalsContact O-CG 3.26Å; E754-K758 WeakPolarHBondContact O-CG 3.48Å; E754-K758 PolarHBondContact O-N 3.28Å; E754-K758 IonicContact OE2-NZ 3.75Å; E754-K758 PolarHBondContact OE2-NZ 3.49Å; K758-R761 PolarHBondContact O-N 2.9Å; K758-K762 WeakPolarHBondContact O-CG 3.39Å; K758-K762 PolarHBondContact O-N 2.98Å |
| 759 | S | 67.7 | Low | 60.5 | Low | 42 Ų | 42 | 64.9 Ų | 64.9 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 112 | D755 V756 F757 R763 | D755-S759 VanDerWaalsContact O-CB 3.22Å; D755-S759 WeakPolarHBondContact O-CB 3.36Å; D755-S759 PolarHBondContact O-N 3.34Å; V756-S759 WeakPolarHBondContact O-CB 3.49Å; V756-S759 PolarHBondContact O-N 2.86Å; F757-S759 VanDerWaalsContact C-N 3.34Å; F757-S759 PolarHBondContact O-N 3.25Å; S759-R763 WeakPolarHBondContact O-CB 2.9Å; S759-R763 PolarHBondContact O-N 3.31Å |
| 760 | M | 61.3 | Low | 59.6 | Low | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.044 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 173.5 | -76.1 | -156.8 | -174 | 0 | 0 | 112.2 | Y713 W716 I740 V756 F757 R763 I764 | Y713-M760 HydrophobicContact CD2-CE 3.35Å; Y713-M760 HydrophobicContact CD2-CG 4.32Å; Y713-M760 HydrophobicContact CE2-CE 4Å; Y713-M760 HydrophobicContact CE2-CG 4.02Å; Y713-M760 HydrophobicContact CG-CE 4.19Å; W716-M760 HydrophobicContact CB-CE 4.1Å; W716-M760 HydrophobicContact CG-CE 4.5Å; I740-M760 HydrophobicContact CD1-CB 4.03Å; I740-M760 HydrophobicContact CD1-SD 4.39Å; V756-M760 PolarHBondContact O-N 3.37Å; F757-M760 PolarHBondContact O-N 2.92Å; M760-R763 WeakPolarHBondContact O-CB 3.41Å; M760-R763 PolarHBondContact O-N 2.84Å; M760-R763 VanDerWaalsContact O-N 3.14Å; M760-I764 WeakPolarHBondContact O-CD1 3.46Å; M760-I764 VanDerWaalsContact O-CG1 3.3Å; M760-I764 WeakPolarHBondContact O-CG1 3.37Å; M760-I764 PolarHBondContact O-N 3.1Å |
| 761 | R | 64.6 | Low | 58.3 | Low | 72 Ų | 72 | 71.5 Ų | 71.5 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.7 | -53.1 | 179.9 | 178.7 | 176.4 | -75.4 | 153.4 | 1 | 111.7 | N741 E744 F757 K758 R763 I764 D765 | N741-R761 PolarHBondContact OD1-NH2 3.23Å; E744-R761 IonicContact OE1-NH1 2.73Å; E744-R761 PolarHBondContact OE1-NH1 3.25Å; E744-R761 IonicContact OE2-CZ 2.59Å; E744-R761 IonicContact OE2-NH1 3.05Å; E744-R761 PolarHBondContact OE2-NH1 3.48Å; E744-R761 IonicContact OE2-NH2 2.91Å; E744-R761 PolarHBondContact OE2-NH2 2.92Å; F757-R761 PolarHBondContact O-N 3.32Å; K758-R761 PolarHBondContact O-N 2.9Å; R761-R763 PolarHBondContact O-N 2.7Å; R761-R763 VanDerWaalsContact O-N 3.11Å; R761-I764 PolarHBondContact O-N 3.32Å; R761-I764 VanDerWaalsContact O-N 3.08Å; R761-D765 WeakPolarHBondContact CG-OD2 3.44Å; R761-D765 PolarHBondContact O-N 2.61Å |
| 762 | K | 67.3 | Low | 57.3 | Low | 97 Ų | 97 | 74 Ų | 74 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -52.7 | -37.2 | 176.5 | -75.5 | -178.2 | -175.4 | 177.5 | 0 | 111.9 | K758 S766 D803 | K758-K762 WeakPolarHBondContact O-CG 3.39Å; K758-K762 PolarHBondContact O-N 2.98Å; K762-S766 WeakPolarHBondContact O-CB 3.26Å; K762-S766 PolarHBondContact O-N 2.88Å; K762-S766 VanDerWaalsContact O-N 3.1Å; K762-D803 WeakPolarHBondContact CD-OD1 3.44Å; K762-D803 WeakPolarHBondContact CE-OD1 3.28Å; K762-D803 IonicContact NZ-OD1 2.73Å; K762-D803 PolarHBondContact NZ-OD1 2.97Å |
| 763 | R | 65.1 | Low | 56 | Low | 101 Ų | 101 | 74.6 Ų | 74.6 | 38% | 0.381 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.1 | -40 | -179.9 | -154 | 163.4 | -168.9 | 113.8 | -3.5 | 112.9 | L720 N721 S759 M760 R761 D765 S766 | L720-R763 HydrophobicContact CD1-CG 4.49Å; N721-R763 PolarHBondContact OD1-NE 3.18Å; N721-R763 PolarHBondContact OD1-NH2 3.25Å; S759-R763 WeakPolarHBondContact O-CB 2.9Å; S759-R763 PolarHBondContact O-N 3.31Å; M760-R763 WeakPolarHBondContact O-CB 3.41Å; M760-R763 PolarHBondContact O-N 2.84Å; M760-R763 VanDerWaalsContact O-N 3.14Å; R761-R763 PolarHBondContact O-N 2.7Å; R761-R763 VanDerWaalsContact O-N 3.11Å; R763-D765 VanDerWaalsContact C-N 3.31Å; R763-S766 PolarHBondContact O-N 2.79Å; R763-S766 PolarHBondContact O-OG 3.19Å |
| 764 | I | 63.8 | Low | 54.8 | Low | 9 Ų | 9 | 78.2 Ų | 78.2 | 5% | 0.046 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 173.7 | -66.6 | 155.5 | 0 | 0 | 0 | 110.3 | F733 L736 I740 M760 R761 S766 I767 | F733-I764 HydrophobicContact CD1-CG2 4.47Å; L736-I764 HydrophobicContact CD2-CD1 3.18Å; L736-I764 HydrophobicContact CD2-CG1 4.04Å; I740-I764 HydrophobicContact CD1-CD1 3.34Å; M760-I764 WeakPolarHBondContact O-CD1 3.46Å; M760-I764 VanDerWaalsContact O-CG1 3.3Å; M760-I764 WeakPolarHBondContact O-CG1 3.37Å; M760-I764 PolarHBondContact O-N 3.1Å; R761-I764 PolarHBondContact O-N 3.32Å; R761-I764 VanDerWaalsContact O-N 3.08Å; I764-S766 VanDerWaalsContact C-N 3.27Å; I764-S766 PolarHBondContact O-N 3.46Å; I764-I767 PolarHBondContact O-N 3.49Å |
| 765 | D | 66.1 | Low | 53.2 | Low | 88 Ų | 88 | 84 Ų | 84 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.1 | -24.7 | 179.6 | -64 | -28.5 | 0 | 0 | 0 | 112.5 | R737 R761 R763 I767 | R737-D765 IonicContact CZ-OD1 2.74Å; R737-D765 IonicContact NE-OD1 3.12Å; R737-D765 IonicContact NH2-OD1 3.15Å; R737-D765 PolarHBondContact NH2-OD1 2.93Å; R761-D765 WeakPolarHBondContact CG-OD2 3.44Å; R761-D765 PolarHBondContact O-N 2.61Å; R763-D765 VanDerWaalsContact C-N 3.31Å; D765-I767 VanDerWaalsContact C-N 3.28Å; D765-I767 PolarHBondContact O-N 2.84Å |
| 766 | S | 65.6 | Low | 51.3 | Low | 86 Ų | 86 | 84 Ų | 84 | 60% | 0.601 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.1 | 173.4 | 77.2 | 0 | 0 | 0 | 0 | 114.5 | K762 R763 I764 S768 | K762-S766 WeakPolarHBondContact O-CB 3.26Å; K762-S766 PolarHBondContact O-N 2.88Å; K762-S766 VanDerWaalsContact O-N 3.1Å; R763-S766 PolarHBondContact O-N 2.79Å; R763-S766 PolarHBondContact O-OG 3.19Å; I764-S766 VanDerWaalsContact C-N 3.27Å; I764-S766 PolarHBondContact O-N 3.46Å; S766-S768 PolarHBondContact O-N 3.24Å |
| 767 | I | 60.9 | Low | 49.6 | Very low | 19 Ų | 19 | 86.6 Ų | 86.6 | 10% | 0.097 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -81.3 | 100.7 | 177.2 | -62.3 | 170.1 | 0 | 0 | 0 | 107.8 | L720 Q726 F733 I764 D765 L769 | L720-I767 HydrophobicContact CD2-CD1 3.65Å; Q726-I767 HydrophobicContact CB-CG2 4.41Å; Q726-I767 HydrophobicContact CG-CG2 4.01Å; F733-I767 HydrophobicContact CD1-CD1 4.46Å; F733-I767 HydrophobicContact CE1-CD1 3.51Å; F733-I767 HydrophobicContact CZ-CD1 3.66Å; F733-I767 HydrophobicContact CZ-CG2 4.45Å; I764-I767 PolarHBondContact O-N 3.49Å; D765-I767 VanDerWaalsContact C-N 3.28Å; D765-I767 PolarHBondContact O-N 2.84Å; I767-L769 PolarHBondContact O-N 3.36Å |
| 768 | S | 50.9 | Low | 47.8 | Very low | 90 Ų | 90 | 95.7 Ų | 95.7 | 63% | 0.629 | 51% | 0.505 | S | S | * | . | trans | -67 | 101.7 | 170.2 | 52 | 0 | 0 | 0 | 0 | 109.3 | S766 T770 | S766-S768 PolarHBondContact O-N 3.24Å; S768-T770 PolarHBondContact O-N 3.21Å | ||
| 769 | L | 48.5 | Very low | 45.8 | Very low | 63 Ų | 63 | 98.6 Ų | 98.6 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | trans | -66.2 | 74.2 | 169.2 | -74.2 | 161.7 | 0 | 0 | 0 | 109.1 | Q730 F733 I767 K771 | Q730-L769 HydrophobicContact CB-CD2 4Å; Q730-L769 HydrophobicContact CG-CD2 3.69Å; F733-L769 HydrophobicContact CD2-CD2 4.2Å; I767-L769 PolarHBondContact O-N 3.36Å; L769-K771 PolarHBondContact O-N 3.19Å | ||
| 770 | T | 37.1 | Very low | 43.7 | Very low | 87 Ų | 87 | 99.6 Ų | 99.6 | 53% | 0.534 | 54% | 0.541 | S | S | . | . | trans | -66.1 | 129.5 | 170.3 | 44.6 | 0 | 0 | 0 | 0 | 107.6 | S768 H772 | S768-T770 PolarHBondContact O-N 3.21Å; T770-H772 PolarHBondContact O-N 2.88Å | ||
| 771 | K | 33 | Very low | 41.8 | Very low | 202 Ų | 202 | 108.4 Ų | 108.4 | 88% | 0.878 | 58% | 0.582 | S | S | * | * | trans | -62.4 | 71.4 | 178.5 | -69.4 | 178.1 | 176.1 | 178.4 | 0 | 110.7 | L769 T773 | L769-K771 PolarHBondContact O-N 3.19Å; K771-T773 PolarHBondContact O-N 2.86Å | ||
| 772 | H | 31.1 | Very low | 39.9 | Very low | 144 Ų | 144 | 112.2 Ų | 112.2 | 67% | 0.667 | 61% | 0.606 | S | S | * | * | trans | -88.3 | 102.8 | 167.1 | -82.2 | -61.9 | 0 | 0 | 0 | 108 | T770 V774 | T770-H772 PolarHBondContact O-N 2.88Å; H772-V774 PolarHBondContact O-N 2.94Å | ||
| 773 | T | 26.9 | Very low | 37.8 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 86% | 0.859 | 62% | 0.622 | S | S | * | * | trans | -41.7 | 99.2 | 165.4 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | K771 | K771-T773 PolarHBondContact O-N 2.86Š| ||
| 774 | V | 30.5 | Very low | 35.7 | Very low | 84 Ų | 84 | 114.5 Ų | 114.5 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | trans | -121.2 | 124.2 | 162.2 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | H772 S776 | H772-V774 PolarHBondContact O-N 2.94Å; V774-S776 PolarHBondContact O-N 3.31Å | ||
| 775 | H | 24.7 | Very low | 33.7 | Very low | 184 Ų | 184 | 117.1 Ų | 117.1 | 85% | 0.852 | 68% | 0.676 | S | S | * | * | trans | -39.6 | 109 | -177.8 | -75.4 | -79.5 | 0 | 0 | 0 | 112.3 | P777 | H775-P777 WeakPolarHBondContact O-CD 3.41Š| ||
| 776 | S | 25.1 | Very low | 31.6 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -65.6 | 117.4 | 163.7 | 39 | 0 | 0 | 0 | 0 | 108.2 | V774 Q778 | V774-S776 PolarHBondContact O-N 3.31Å; S776-Q778 PolarHBondContact O-N 2.97Å | ||
| 777 | P | 25.4 | Very low | 29.5 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | trans | -66 | 127.7 | 165.6 | 19.6 | -14.1 | 0 | 0 | 0 | 106.8 | H775 L779 | H775-P777 WeakPolarHBondContact O-CD 3.41Å; P777-L779 VanDerWaalsContact C-N 3.35Å; P777-L779 PolarHBondContact O-N 3.47Å | ||
| 778 | Q | 21.8 | Very low | 27.8 | Very low | 198 Ų | 198 | 127.4 Ų | 127.4 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | trans | -51.6 | 95.2 | 176.8 | -67.9 | 174.1 | -17.3 | 0 | 0 | 109.5 | S776 | S776-Q778 PolarHBondContact O-N 2.97Š| ||
| 779 | L | 25.2 | Very low | 26.3 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -77.5 | 120.7 | 164.8 | -104.7 | 100.8 | 0 | 0 | 0 | 106.6 | P777 | P777-L779 VanDerWaalsContact C-N 3.35Å; P777-L779 PolarHBondContact O-N 3.47Å | ||
| 780 | G | 23.3 | Very low | 25.1 | Very low | 64 Ų | 64 | 135.1 Ų | 135.1 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | -50.6 | 143.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I782 | G780-I782 PolarHBondContact O-N 2.87Š| ||
| 781 | E | 21.4 | Very low | 24.3 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | -36.9 | 111.7 | -179.3 | -63.5 | 167.8 | 162.1 | 0 | 0 | 113.1 | ||||
| 782 | I | 24.4 | Very low | 23.8 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | trans | -82.3 | 128.8 | 159.2 | -61.8 | 173.1 | 0 | 0 | 0 | 105.9 | G780 S784 | G780-I782 PolarHBondContact O-N 2.87Å; I782-S784 PolarHBondContact O-N 3.44Å | ||
| 783 | P | 22.7 | Very low | 23.4 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -63 | 123.6 | -173.2 | 23.1 | -31 | 0 | 0 | 0 | 110.9 | G785 | P783-G785 PolarHBondContact O-N 3.05Š| ||
| 784 | S | 21.1 | Very low | 23.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -58.9 | 114.1 | 168.6 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | I782 | I782-S784 PolarHBondContact O-N 3.44Š| ||
| 785 | G | 21.3 | Very low | 23 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | -150.6 | 75.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P783 | P783-G785 PolarHBondContact O-N 3.05Š| ||
| 786 | S | 21.9 | Very low | 23.1 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 63 | 114.7 | 155.5 | 65.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 787 | C | 21.7 | Very low | 23.1 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | 69.2 | 116.7 | 132.2 | -59.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 788 | F | 25.1 | Very low | 23.4 | Very low | 198 Ų | 198 | 137.8 Ų | 137.8 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | -163.7 | 105.8 | 95.1 | -87.1 | -69.8 | 0 | 0 | 0 | 109.6 | |||||
| 789 | N | 20.4 | Very low | 23.8 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -63.5 | 126.3 | 159.5 | -79.3 | -21.6 | 0 | 0 | 0 | 108.6 | ||||
| 790 | I | 23.9 | Very low | 24.3 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -133.1 | 92.9 | 151.6 | -59.9 | -177.9 | 0 | 0 | 0 | 107 | ||||
| 791 | D | 20.1 | Very low | 25 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -71.5 | 154.1 | 155.6 | -83.2 | -40.7 | 0 | 0 | 0 | 110.2 | ||||
| 792 | N | 22.4 | Very low | 25.7 | Very low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 88.5 | 113.2 | 155.9 | -65.7 | -27.4 | 0 | 0 | 0 | 120.3 | ||||
| 793 | N | 21.5 | Very low | 26.5 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 63.3 | 111.4 | 130.1 | -62.7 | -18.9 | 0 | 0 | 0 | 118.4 | ||||
| 794 | N | 25.6 | Very low | 27.4 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | -164.2 | 129.4 | 115.5 | -93.7 | -25.5 | 0 | 0 | 0 | 112.4 | |||||
| 795 | S | 23.2 | Very low | 28.5 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -55.9 | 127.1 | 166.4 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 796 | I | 27.5 | Very low | 29.6 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -130.5 | 98 | 152.1 | -61.6 | -179.9 | 0 | 0 | 0 | 106.9 | ||||
| 797 | N | 24.9 | Very low | 30.8 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -62.2 | 124.5 | 155.9 | -76.7 | -26.9 | 0 | 0 | 0 | 107.7 | ||||
| 798 | N | 32 | Very low | 32.2 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | trans | -144 | 123.8 | 155.1 | -99.9 | -17.3 | 0 | 0 | 0 | 108.2 | G800 | N798-G800 PolarHBondContact O-N 2.89Š| ||
| 799 | D | 30.6 | Very low | 33.5 | Very low | 153 Ų | 153 | 116 Ų | 116 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -65.5 | 111.7 | -158.9 | -67.8 | -52.6 | 0 | 0 | 0 | 116.1 | N801 | D799-N801 VanDerWaalsContact C-N 3.28Å; D799-N801 PolarHBondContact O-N 3.21Å | ||
| 800 | G | 35.7 | Very low | 35.1 | Very low | 65 Ų | 65 | 113.9 Ų | 113.9 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | 47.8 | -19.4 | 116.6 | 0 | 0 | 0 | 0 | 0 | 124.8 | N798 | N798-G800 PolarHBondContact O-N 2.89Š| |
| 801 | N | 37.7 | Very low | 36.7 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -14.7 | -169.4 | -92.4 | -14.1 | 0 | 0 | 0 | 116.2 | D799 | D799-N801 VanDerWaalsContact C-N 3.28Å; D799-N801 PolarHBondContact O-N 3.21Å |
| 802 | G | 35.8 | Very low | 38.8 | Very low | 47 Ų | 47 | 112.3 Ų | 112.3 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.2 | -32.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V805 I806 | G802-V805 PolarHBondContact O-N 3.35Å; G802-I806 PolarHBondContact O-N 2.81Å |
| 803 | D | 40.5 | Very low | 40.8 | Very low | 81 Ų | 81 | 108.8 Ų | 108.8 | 43% | 0.433 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.1 | -32.4 | -173.1 | -85.2 | -23.6 | 0 | 0 | 0 | 114.2 | K762 V805 T807 | K762-D803 WeakPolarHBondContact CD-OD1 3.44Å; K762-D803 WeakPolarHBondContact CE-OD1 3.28Å; K762-D803 IonicContact NZ-OD1 2.73Å; K762-D803 PolarHBondContact NZ-OD1 2.97Å; D803-V805 VanDerWaalsContact C-N 3.34Å; D803-T807 VanDerWaalsContact O-CB 3.29Å; D803-T807 WeakPolarHBondContact O-CB 3.17Å; D803-T807 PolarHBondContact O-N 3.02Å; D803-T807 VanDerWaalsContact O-N 3.15Å; D803-T807 PolarHBondContact O-OG1 3.12Å |
| 804 | V | 42.4 | Very low | 42.8 | Very low | 99 Ų | 99 | 105.4 Ų | 105.4 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.7 | -37.5 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | K808 | V804-K808 VanDerWaalsContact O-CB 3.23Å; V804-K808 WeakPolarHBondContact O-CB 3.41Å; V804-K808 PolarHBondContact O-N 3.47Å |
| 805 | V | 43.4 | Very low | 44.9 | Very low | 91 Ų | 91 | 103.4 Ų | 103.4 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.3 | -49.7 | -178.4 | -179.1 | 0 | 0 | 0 | 0 | 111 | G802 D803 T807 K808 C809 | G802-V805 PolarHBondContact O-N 3.35Å; D803-V805 VanDerWaalsContact C-N 3.34Å; V805-T807 PolarHBondContact O-N 3.2Å; V805-K808 WeakPolarHBondContact O-CB 3.45Å; V805-K808 PolarHBondContact O-N 3.41Å; V805-C809 PolarHBondContact O-N 3.21Å; V805-C809 PolarHBondContact O-SG 3.28Å; V805-C809 VanDerWaalsContact O-SG 3.35Å |
| 806 | I | 45.1 | Very low | 47.3 | Very low | 91 Ų | 91 | 100.9 Ų | 100.9 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.8 | -41.3 | -178.5 | -62.4 | 173 | 0 | 0 | 0 | 111.1 | G802 K808 C809 L810 | G802-I806 PolarHBondContact O-N 2.81Å; I806-K808 VanDerWaalsContact C-N 3.29Å; I806-K808 PolarHBondContact O-N 3.1Å; I806-C809 PolarHBondContact O-N 3.35Å; I806-L810 HydrophobicContact CG2-CD1 4.23Å; I806-L810 WeakPolarHBondContact O-CG 3.47Å; I806-L810 PolarHBondContact O-N 2.96Å |
| 807 | T | 47.6 | Very low | 49.4 | Very low | 72 Ų | 72 | 96.7 Ų | 96.7 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | D803 V805 R811 | D803-T807 VanDerWaalsContact O-CB 3.29Å; D803-T807 WeakPolarHBondContact O-CB 3.17Å; D803-T807 PolarHBondContact O-N 3.02Å; D803-T807 VanDerWaalsContact O-N 3.15Å; D803-T807 PolarHBondContact O-OG1 3.12Å; V805-T807 PolarHBondContact O-N 3.2Å; T807-R811 PolarHBondContact O-N 3.37Å; T807-R811 VanDerWaalsContact O-N 3.1Å |
| 808 | K | 51.7 | Low | 51.8 | Low | 136 Ų | 136 | 93.7 Ų | 93.7 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -47.6 | 173.5 | -171.4 | 177.9 | 178.3 | -175.9 | 0 | 110.9 | V804 V805 I806 L810 R811 D812 | V804-K808 VanDerWaalsContact O-CB 3.23Å; V804-K808 WeakPolarHBondContact O-CB 3.41Å; V804-K808 PolarHBondContact O-N 3.47Å; V805-K808 WeakPolarHBondContact O-CB 3.45Å; V805-K808 PolarHBondContact O-N 3.41Å; I806-K808 VanDerWaalsContact C-N 3.29Å; I806-K808 PolarHBondContact O-N 3.1Å; K808-L810 PolarHBondContact O-N 3.2Å; K808-R811 PolarHBondContact O-N 3.3Å; K808-D812 WeakPolarHBondContact O-CB 3.38Å; K808-D812 PolarHBondContact O-N 3.09Å |
| 809 | C | 52.2 | Low | 54 | Low | 46 Ų | 46 | 92.5 Ų | 92.5 | 31% | 0.311 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 176.6 | -71 | 0 | 0 | 0 | 0 | 113 | V805 I806 D812 M813 F848 | V805-C809 PolarHBondContact O-N 3.21Å; V805-C809 PolarHBondContact O-SG 3.28Å; V805-C809 VanDerWaalsContact O-SG 3.35Å; I806-C809 PolarHBondContact O-N 3.35Å; C809-D812 PolarHBondContact O-N 3.31Å; C809-M813 WeakPolarHBondContact O-CB 3.34Å; C809-M813 PolarHBondContact O-N 2.7Å; C809-F848 HydrophobicContact CB-CZ 4.4Å |
| 810 | L | 53.5 | Low | 56.3 | Low | 111 Ų | 111 | 86.8 Ų | 86.8 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.7 | -37.4 | 178.5 | -71.5 | 174.3 | 0 | 0 | 0 | 112.8 | I806 K808 S814 | I806-L810 HydrophobicContact CG2-CD1 4.23Å; I806-L810 WeakPolarHBondContact O-CG 3.47Å; I806-L810 PolarHBondContact O-N 2.96Å; K808-L810 PolarHBondContact O-N 3.2Å; L810-S814 WeakPolarHBondContact O-CB 3.45Å; L810-S814 PolarHBondContact O-N 3.13Å |
| 811 | R | 57 | Low | 58.2 | Low | 182 Ų | 182 | 90.6 Ų | 90.6 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | 172 | -87 | -174.6 | -177.8 | 159.9 | 3.1 | 111.2 | T807 K808 S814 L815 | T807-R811 PolarHBondContact O-N 3.37Å; T807-R811 VanDerWaalsContact O-N 3.1Å; K808-R811 PolarHBondContact O-N 3.3Å; R811-S814 PolarHBondContact O-N 2.8Å; R811-L815 WeakPolarHBondContact O-CB 3.41Å; R811-L815 WeakPolarHBondContact O-CG 3.39Å; R811-L815 PolarHBondContact O-N 3.18Å |
| 812 | D | 64.8 | Low | 60.2 | Low | 78 Ų | 78 | 88.1 Ų | 88.1 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.7 | -66.8 | -14.4 | 0 | 0 | 0 | 110.1 | K808 C809 S814 L815 V816 | K808-D812 WeakPolarHBondContact O-CB 3.38Å; K808-D812 PolarHBondContact O-N 3.09Å; C809-D812 PolarHBondContact O-N 3.31Å; D812-S814 PolarHBondContact O-N 3.19Å; D812-L815 PolarHBondContact O-N 3.42Å; D812-V816 WeakPolarHBondContact O-CB 3.34Å; D812-V816 WeakPolarHBondContact O-CG2 3.14Å; D812-V816 PolarHBondContact O-N 3.1Å |
| 813 | M | 63.9 | Low | 62.5 | Low | 57 Ų | 57 | 86.1 Ų | 86.1 | 28% | 0.281 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 172.9 | -89.8 | -72.3 | -143.2 | 0 | 0 | 112.9 | C809 L815 V816 V817 L845 F848 V849 | C809-M813 WeakPolarHBondContact O-CB 3.34Å; C809-M813 PolarHBondContact O-N 2.7Å; M813-L815 PolarHBondContact O-N 3.35Å; M813-V816 PolarHBondContact O-N 2.87Å; M813-V817 WeakPolarHBondContact O-CG2 3.47Å; M813-V817 PolarHBondContact O-N 2.94Å; M813-L845 HydrophobicContact CE-CD2 4.27Å; M813-L845 HydrophobicContact SD-CD2 3.35Å; M813-L845 WeakPolarHBondContact SD-CD2 3.46Å; M813-F848 HydrophobicContact CE-CD1 3.5Å; M813-F848 HydrophobicContact CE-CE1 3.6Å; M813-F848 HydrophobicContact CG-CE1 4.36Å; M813-F848 HydrophobicContact SD-CD1 4.4Å; M813-V849 HydrophobicContact CE-CG2 4.09Å |
| 814 | S | 63.5 | Low | 64.2 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 46% | 0.462 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | L810 R811 D812 V817 N818 | L810-S814 WeakPolarHBondContact O-CB 3.45Å; L810-S814 PolarHBondContact O-N 3.13Å; R811-S814 PolarHBondContact O-N 2.8Å; D812-S814 PolarHBondContact O-N 3.19Å; S814-V817 PolarHBondContact O-N 2.73Å; S814-N818 WeakPolarHBondContact O-CB 3.28Å; S814-N818 VanDerWaalsContact O-CG 3.28Å; S814-N818 PolarHBondContact O-N 3.46Å; S814-N818 PolarHBondContact O-ND2 2.86Å; S814-N818 VanDerWaalsContact O-ND2 3.13Å |
| 815 | L | 70.7 | Confident | 65.7 | Low | 116 Ų | 116 | 87.6 Ų | 87.6 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 174.8 | -73.8 | 170.3 | 0 | 0 | 0 | 111.5 | R811 D812 M813 N818 R819 | R811-L815 WeakPolarHBondContact O-CB 3.41Å; R811-L815 WeakPolarHBondContact O-CG 3.39Å; R811-L815 PolarHBondContact O-N 3.18Å; D812-L815 PolarHBondContact O-N 3.42Å; M813-L815 PolarHBondContact O-N 3.35Å; L815-N818 PolarHBondContact O-N 3.35Å; L815-R819 WeakPolarHBondContact O-CB 3.34Å; L815-R819 PolarHBondContact O-N 3.35Å |
| 816 | V | 72.5 | Confident | 67.2 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 30% | 0.297 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | D812 M813 N818 R819 L820 I841 L845 | D812-V816 WeakPolarHBondContact O-CB 3.34Å; D812-V816 WeakPolarHBondContact O-CG2 3.14Å; D812-V816 PolarHBondContact O-N 3.1Å; M813-V816 PolarHBondContact O-N 2.87Å; V816-N818 PolarHBondContact O-N 3.22Å; V816-R819 PolarHBondContact O-N 3.02Å; V816-L820 PolarHBondContact O-N 3.4Å; V816-I841 HydrophobicContact CG1-CG2 3.47Å; V816-I841 VanDerWaalsContact CG1-CG2 3.47Å; V816-L845 HydrophobicContact CB-CD2 4.36Å; V816-L845 HydrophobicContact CG1-CD1 3.78Å; V816-L845 HydrophobicContact CG1-CD2 3.69Å; V816-L845 HydrophobicContact CG1-CG 3.59Å |
| 817 | V | 71.8 | Confident | 68.7 | Low | 61 Ų | 61 | 87.4 Ų | 87.4 | 37% | 0.37 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 176 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | M813 S814 R819 L820 K821 | M813-V817 WeakPolarHBondContact O-CG2 3.47Å; M813-V817 PolarHBondContact O-N 2.94Å; S814-V817 PolarHBondContact O-N 2.73Å; V817-R819 VanDerWaalsContact C-N 3.34Å; V817-L820 PolarHBondContact O-N 2.55Å; V817-K821 WeakPolarHBondContact O-CG 3.45Å; V817-K821 PolarHBondContact O-N 3.46Å |
| 818 | N | 75.2 | Confident | 70.3 | Confident | 86 Ų | 86 | 86 Ų | 86 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 176.7 | -72.6 | -31 | 0 | 0 | 0 | 112 | S814 L815 V816 K821 S822 | S814-N818 WeakPolarHBondContact O-CB 3.28Å; S814-N818 VanDerWaalsContact O-CG 3.28Å; S814-N818 PolarHBondContact O-N 3.46Å; S814-N818 PolarHBondContact O-ND2 2.86Å; S814-N818 VanDerWaalsContact O-ND2 3.13Å; L815-N818 PolarHBondContact O-N 3.35Å; V816-N818 PolarHBondContact O-N 3.22Å; N818-K821 PolarHBondContact O-N 2.87Å; N818-S822 PolarHBondContact O-N 3.16Å |
| 819 | R | 78.7 | Confident | 71 | Confident | 124 Ų | 124 | 85.8 Ų | 85.8 | 47% | 0.468 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 173.3 | -170.9 | 66.6 | 179.2 | 176.6 | 3.3 | 111.3 | L815 V816 V817 K821 S822 V823 E837 I841 | L815-R819 WeakPolarHBondContact O-CB 3.34Å; L815-R819 PolarHBondContact O-N 3.35Å; V816-R819 PolarHBondContact O-N 3.02Å; V817-R819 VanDerWaalsContact C-N 3.34Å; R819-K821 VanDerWaalsContact C-N 3.3Å; R819-K821 PolarHBondContact O-N 3.08Å; R819-S822 PolarHBondContact O-N 3.32Å; R819-S822 PolarHBondContact O-OG 3.46Å; R819-V823 WeakPolarHBondContact O-CG2 3.4Å; R819-V823 PolarHBondContact O-N 2.97Å; R819-E837 IonicContact CZ-OE1 3.82Å; R819-E837 IonicContact NE-OE1 2.74Å; R819-E837 PolarHBondContact NE-OE1 3.39Å; R819-E837 IonicContact NH2-OE1 3.82Å; R819-E837 PolarHBondContact NH2-OE1 2.96Å; R819-E837 IonicContact NH2-OE2 2.83Å; R819-I841 HydrophobicContact CB-CD1 4.16Å; R819-I841 HydrophobicContact CG-CD1 3.64Å |
| 820 | L | 78 | Confident | 71.6 | Confident | 33 Ų | 33 | 88.5 Ų | 88.5 | 17% | 0.173 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 175.4 | -174.3 | 62.7 | 0 | 0 | 0 | 111.6 | V816 V817 S822 V823 W824 A838 I841 L842 | V816-L820 PolarHBondContact O-N 3.4Å; V817-L820 PolarHBondContact O-N 2.55Å; L820-S822 PolarHBondContact O-N 2.96Å; L820-V823 HydrophobicContact CD1-CG2 4.5Å; L820-V823 WeakPolarHBondContact O-CG2 3.23Å; L820-V823 PolarHBondContact O-N 3.35Å; L820-W824 VanDerWaalsContact O-CB 3.26Å; L820-W824 WeakPolarHBondContact O-CB 3.43Å; L820-W824 PolarHBondContact O-N 3.39Å; L820-A838 HydrophobicContact CD1-CB 3.95Å; L820-I841 HydrophobicContact CB-CG2 3.92Å; L820-I841 HydrophobicContact CD1-CB 4.31Å; L820-I841 HydrophobicContact CD1-CG2 4.05Å; L820-I841 HydrophobicContact CG-CG2 4.4Å; L820-L842 HydrophobicContact CD1-CD1 4.24Å; L820-L842 HydrophobicContact CD1-CG 4.01Å; L820-L842 HydrophobicContact CD2-CD2 3.82Å; L820-L842 HydrophobicContact CD2-CG 4.08Å |
| 821 | K | 77.1 | Confident | 72.8 | Confident | 146 Ų | 146 | 88.9 Ų | 88.9 | 64% | 0.635 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.7 | -27 | 175.8 | -74 | 175.8 | -178.5 | 173.2 | 0 | 113.8 | V817 N818 R819 | V817-K821 WeakPolarHBondContact O-CG 3.45Å; V817-K821 PolarHBondContact O-N 3.46Å; N818-K821 PolarHBondContact O-N 2.87Å; R819-K821 VanDerWaalsContact C-N 3.3Å; R819-K821 PolarHBondContact O-N 3.08Å |
| 822 | S | 79.8 | Confident | 73.8 | Confident | 78 Ų | 78 | 84 Ų | 84 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -85 | -25.2 | 179.9 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | N818 R819 L820 | N818-S822 PolarHBondContact O-N 3.16Å; R819-S822 PolarHBondContact O-N 3.32Å; R819-S822 PolarHBondContact O-OG 3.46Å; L820-S822 PolarHBondContact O-N 2.96Å |
| 823 | V | 83.9 | Confident | 74.6 | Confident | 6 Ų | 6 | 84.2 Ų | 84.2 | 4% | 0.036 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -95.6 | -18 | 176.4 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | R819 L820 P825 Q834 E837 A838 I841 | R819-V823 WeakPolarHBondContact O-CG2 3.4Å; R819-V823 PolarHBondContact O-N 2.97Å; L820-V823 HydrophobicContact CD1-CG2 4.5Å; L820-V823 WeakPolarHBondContact O-CG2 3.23Å; L820-V823 PolarHBondContact O-N 3.35Å; V823-P825 CarbonylContact O-C 3.58Å; V823-Q834 HydrophobicContact CB-CB 4.37Å; V823-E837 HydrophobicContact CG1-CG 4.31Å; V823-A838 HydrophobicContact CG2-CB 3.72Å; V823-I841 HydrophobicContact CG2-CD1 4.19Å |
| 824 | W | 76.1 | Confident | 75.3 | Confident | 137 Ų | 137 | 83.7 Ų | 83.7 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -114.6 | 129.3 | -178.2 | -168.5 | -97.1 | 0 | 0 | 0 | 113.2 | L820 P826 F835 A838 | L820-W824 VanDerWaalsContact O-CB 3.26Å; L820-W824 WeakPolarHBondContact O-CB 3.43Å; L820-W824 PolarHBondContact O-N 3.39Å; W824-P826 HydrophobicContact CE3-CG 4.11Å; W824-P826 HydrophobicContact CZ3-CG 4.13Å; W824-F835 HydrophobicContact CH2-CD2 4.46Å; W824-F835 HydrophobicContact CH2-CE2 4.22Å; W824-F835 AromaticContact CZ3-CD2 3.79Å; W824-F835 HydrophobicContact CZ3-CD2 3.79Å; W824-F835 AromaticContact CZ3-CE2 3.92Å; W824-F835 HydrophobicContact CZ3-CE2 3.92Å; W824-A838 HydrophobicContact CE3-CB 3.99Å |
| 825 | P | 72.4 | Confident | 76.3 | Confident | 73 Ų | 73 | 85.1 Ų | 85.1 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | S | Bend | cis | -78.5 | 150.9 | -1.9 | 30 | -31.4 | 0 | 0 | 0 | 111.8 | V823 K827 | V823-P825 CarbonylContact O-C 3.58Å; P825-K827 WeakPolarHBondContact O-CG 3.27Å; P825-K827 PolarHBondContact O-N 2.88Å |
| 826 | P | 76 | Confident | 76.7 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 20% | 0.201 | 45% | 0.446 | C | S | . | . | trans | -60.3 | 127.6 | -178.8 | -22 | 32.2 | 0 | 0 | 0 | 112.2 | W824 K831 Q834 F835 | W824-P826 HydrophobicContact CE3-CG 4.11Å; W824-P826 HydrophobicContact CZ3-CG 4.13Å; P826-K831 HydrophobicContact CB-CB 4.22Å; P826-K831 HydrophobicContact CB-CG 4.03Å; P826-Q834 VanDerWaalsContact CA-OE1 3.23Å; P826-Q834 HydrophobicContact CB-CB 4.01Å; P826-F835 HydrophobicContact CG-CB 4Å; P826-F835 HydrophobicContact CG-CD2 4.21Å | ||
| 827 | K | 77.1 | Confident | 77.2 | Confident | 147 Ų | 147 | 84.3 Ų | 84.3 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | trans | -137 | 143.9 | -178.1 | -68 | 175.7 | -168.2 | 180 | 0 | 111.3 | P825 Q834 | P825-K827 WeakPolarHBondContact O-CG 3.27Å; P825-K827 PolarHBondContact O-N 2.88Å; K827-Q834 PolarHBondContact O-NE2 3.47Å; K827-Q834 VanDerWaalsContact O-NE2 3.16Å; K827-Q834 PolarHBondContact O-OE1 3.47Å | ||
| 828 | G | 79.8 | Confident | 77.6 | Confident | 43 Ų | 43 | 81.5 Ų | 81.5 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 89.5 | -165.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | N830 K831 | G828-N830 VanDerWaalsContact C-N 3.33Å; G828-N830 PolarHBondContact O-N 3.49Å; G828-K831 WeakPolarHBondContact O-CD 3.34Å; G828-K831 VanDerWaalsContact O-CG 3.24Å; G828-K831 WeakPolarHBondContact O-CG 3.34Å |
| 829 | P | 66.2 | Low | 77.9 | Confident | 132 Ų | 132 | 84.4 Ų | 84.4 | 86% | 0.857 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.4 | -175.2 | 26 | -32.6 | 0 | 0 | 0 | 114.3 | K831 | P829-K831 PolarHBondContact O-N 3.34Š|
| 830 | N | 66.4 | Low | 77.7 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 29.7 | -178.5 | -69.6 | -11.9 | 0 | 0 | 0 | 113.6 | G828 S832 V833 Q834 | G828-N830 VanDerWaalsContact C-N 3.33Å; G828-N830 PolarHBondContact O-N 3.49Å; N830-S832 VanDerWaalsContact C-N 3.3Å; N830-S832 PolarHBondContact O-N 2.96Å; N830-V833 HydrophobicContact CB-CB 4.41Å; N830-V833 PolarHBondContact O-N 3.49Å; N830-V833 VanDerWaalsContact O-N 3.13Å; N830-Q834 PolarHBondContact O-N 3.5Å |
| 831 | K | 77.9 | Confident | 77.7 | Confident | 119 Ų | 119 | 82.5 Ų | 82.5 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.6 | -40.1 | -176.6 | -85.9 | 167.2 | -176.8 | -174.4 | 0 | 114 | P826 G828 P829 F835 | P826-K831 HydrophobicContact CB-CB 4.22Å; P826-K831 HydrophobicContact CB-CG 4.03Å; G828-K831 WeakPolarHBondContact O-CD 3.34Å; G828-K831 VanDerWaalsContact O-CG 3.24Å; G828-K831 WeakPolarHBondContact O-CG 3.34Å; P829-K831 PolarHBondContact O-N 3.34Å; K831-F835 VanDerWaalsContact O-CB 3.31Å; K831-F835 WeakPolarHBondContact O-CB 3.35Å; K831-F835 PolarHBondContact O-N 3.07Å |
| 832 | S | 78 | Confident | 77.8 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 57% | 0.566 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 178.7 | 52 | 0 | 0 | 0 | 0 | 111.9 | N830 F835 N836 | N830-S832 VanDerWaalsContact C-N 3.3Å; N830-S832 PolarHBondContact O-N 2.96Å; S832-F835 PolarHBondContact O-N 3.42Å; S832-N836 WeakPolarHBondContact O-CB 3.49Å; S832-N836 PolarHBondContact O-N 3.49Å; S832-N836 PolarHBondContact O-ND2 3.3Å |
| 833 | V | 82.1 | Confident | 77.3 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -48 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | N830 F835 N836 E837 | N830-V833 HydrophobicContact CB-CB 4.41Å; N830-V833 PolarHBondContact O-N 3.49Å; N830-V833 VanDerWaalsContact O-N 3.13Å; V833-F835 VanDerWaalsContact C-N 3.34Å; V833-F835 PolarHBondContact O-N 2.91Å; V833-N836 PolarHBondContact O-N 2.98Å; V833-E837 WeakPolarHBondContact O-CB 3.35Å; V833-E837 PolarHBondContact O-N 3.06Å |
| 834 | Q | 78.9 | Confident | 76.6 | Confident | 45 Ų | 45 | 84.7 Ų | 84.7 | 21% | 0.21 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.7 | -38 | 178.3 | -72.3 | 172.1 | -4.2 | 0 | 0 | 112.7 | V823 P826 K827 N830 A838 | V823-Q834 HydrophobicContact CB-CB 4.37Å; P826-Q834 VanDerWaalsContact CA-OE1 3.23Å; P826-Q834 HydrophobicContact CB-CB 4.01Å; K827-Q834 PolarHBondContact O-NE2 3.47Å; K827-Q834 VanDerWaalsContact O-NE2 3.16Å; K827-Q834 PolarHBondContact O-OE1 3.47Å; N830-Q834 PolarHBondContact O-N 3.5Å; Q834-A838 WeakPolarHBondContact O-CB 3.44Å; Q834-A838 PolarHBondContact O-N 2.86Å |
| 835 | F | 84 | Confident | 76.3 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 176 | -175.8 | -92 | 0 | 0 | 0 | 111.8 | W824 P826 K831 S832 V833 E837 A838 R839 | W824-F835 HydrophobicContact CH2-CD2 4.46Å; W824-F835 HydrophobicContact CH2-CE2 4.22Å; W824-F835 AromaticContact CZ3-CD2 3.79Å; W824-F835 HydrophobicContact CZ3-CD2 3.79Å; W824-F835 AromaticContact CZ3-CE2 3.92Å; W824-F835 HydrophobicContact CZ3-CE2 3.92Å; P826-F835 HydrophobicContact CG-CB 4Å; P826-F835 HydrophobicContact CG-CD2 4.21Å; K831-F835 VanDerWaalsContact O-CB 3.31Å; K831-F835 WeakPolarHBondContact O-CB 3.35Å; K831-F835 PolarHBondContact O-N 3.07Å; S832-F835 PolarHBondContact O-N 3.42Å; V833-F835 VanDerWaalsContact C-N 3.34Å; V833-F835 PolarHBondContact O-N 2.91Å; F835-E837 VanDerWaalsContact C-N 3.31Å; F835-E837 PolarHBondContact O-N 3.44Å; F835-A838 PolarHBondContact O-N 3.4Å; F835-R839 WeakPolarHBondContact O-CB 3.45Å; F835-R839 PolarHBondContact O-N 3.39Å |
| 836 | N | 78 | Confident | 76 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 177.1 | -73.6 | -17.8 | 0 | 0 | 0 | 111.7 | S832 V833 R839 N840 | S832-N836 WeakPolarHBondContact O-CB 3.49Å; S832-N836 PolarHBondContact O-N 3.49Å; S832-N836 PolarHBondContact O-ND2 3.3Å; V833-N836 PolarHBondContact O-N 2.98Å; N836-R839 PolarHBondContact O-N 3.08Å; N836-N840 WeakPolarHBondContact O-CB 3.38Å; N836-N840 PolarHBondContact O-N 3.44Å |
| 837 | E | 83.6 | Confident | 74.8 | Confident | 58 Ų | 58 | 82.5 Ų | 82.5 | 27% | 0.271 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 175.6 | -167.8 | 177.1 | 170.5 | 0 | 0 | 111.7 | R819 V823 V833 F835 R839 N840 I841 | R819-E837 IonicContact CZ-OE1 3.82Å; R819-E837 IonicContact NE-OE1 2.74Å; R819-E837 PolarHBondContact NE-OE1 3.39Å; R819-E837 IonicContact NH2-OE1 3.82Å; R819-E837 PolarHBondContact NH2-OE1 2.96Å; R819-E837 IonicContact NH2-OE2 2.83Å; V823-E837 HydrophobicContact CG1-CG 4.31Å; V833-E837 WeakPolarHBondContact O-CB 3.35Å; V833-E837 PolarHBondContact O-N 3.06Å; F835-E837 VanDerWaalsContact C-N 3.31Å; F835-E837 PolarHBondContact O-N 3.44Å; E837-R839 VanDerWaalsContact C-N 3.34Å; E837-R839 PolarHBondContact O-N 3.27Å; E837-N840 PolarHBondContact O-N 2.9Å; E837-I841 HydrophobicContact CG-CD1 4.18Å; E837-I841 VanDerWaalsContact O-CG1 3.31Å; E837-I841 WeakPolarHBondContact O-CG1 3.45Å; E837-I841 PolarHBondContact O-N 3.13Å |
| 838 | A | 80.7 | Confident | 73.9 | Confident | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.008 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L820 V823 W824 Q834 F835 I841 L842 | L820-A838 HydrophobicContact CD1-CB 3.95Å; V823-A838 HydrophobicContact CG2-CB 3.72Å; W824-A838 HydrophobicContact CE3-CB 3.99Å; Q834-A838 WeakPolarHBondContact O-CB 3.44Å; Q834-A838 PolarHBondContact O-N 2.86Å; F835-A838 PolarHBondContact O-N 3.4Å; A838-I841 PolarHBondContact O-N 2.7Å; A838-L842 WeakPolarHBondContact O-CB 3.46Å; A838-L842 WeakPolarHBondContact O-CG 3.11Å; A838-L842 PolarHBondContact O-N 3.3Å |
| 839 | R | 80.2 | Confident | 72.7 | Confident | 148 Ų | 148 | 81.5 Ų | 81.5 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.6 | -44.1 | 176.8 | -172.1 | -179.8 | -177.5 | -173.9 | 0.4 | 111.7 | F835 N836 E837 L842 N843 | F835-R839 WeakPolarHBondContact O-CB 3.45Å; F835-R839 PolarHBondContact O-N 3.39Å; N836-R839 PolarHBondContact O-N 3.08Å; E837-R839 VanDerWaalsContact C-N 3.34Å; E837-R839 PolarHBondContact O-N 3.27Å; R839-L842 PolarHBondContact O-N 3.44Å; R839-N843 WeakPolarHBondContact O-CB 3.44Å; R839-N843 PolarHBondContact O-N 3Å |
| 840 | N | 76.2 | Confident | 71.5 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.7 | -75.7 | -10.5 | 0 | 0 | 0 | 112.1 | N836 E837 N843 N844 | N836-N840 WeakPolarHBondContact O-CB 3.38Å; N836-N840 PolarHBondContact O-N 3.44Å; E837-N840 PolarHBondContact O-N 2.9Å; N840-N843 PolarHBondContact O-N 3.29Å; N840-N844 WeakPolarHBondContact O-CB 3.03Å; N840-N844 VanDerWaalsContact O-CG 3.28Å; N840-N844 PolarHBondContact O-N 3.09Å; N840-N844 PolarHBondContact O-ND2 2.73Å |
| 841 | I | 77.8 | Confident | 70.3 | Confident | 20 Ų | 20 | 84.6 Ų | 84.6 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 175.2 | -71.5 | 164.8 | 0 | 0 | 0 | 110.8 | V816 R819 L820 V823 E837 A838 N844 L845 | V816-I841 HydrophobicContact CG1-CG2 3.47Å; V816-I841 VanDerWaalsContact CG1-CG2 3.47Å; R819-I841 HydrophobicContact CB-CD1 4.16Å; R819-I841 HydrophobicContact CG-CD1 3.64Å; L820-I841 HydrophobicContact CB-CG2 3.92Å; L820-I841 HydrophobicContact CD1-CB 4.31Å; L820-I841 HydrophobicContact CD1-CG2 4.05Å; L820-I841 HydrophobicContact CG-CG2 4.4Å; V823-I841 HydrophobicContact CG2-CD1 4.19Å; E837-I841 HydrophobicContact CG-CD1 4.18Å; E837-I841 VanDerWaalsContact O-CG1 3.31Å; E837-I841 WeakPolarHBondContact O-CG1 3.45Å; E837-I841 PolarHBondContact O-N 3.13Å; A838-I841 PolarHBondContact O-N 2.7Å; I841-N844 PolarHBondContact O-N 3.19Å; I841-L845 HydrophobicContact CG2-CD1 3.99Å; I841-L845 HydrophobicContact CG2-CG 4.49Å; I841-L845 WeakPolarHBondContact O-CB 3.44Å; I841-L845 WeakPolarHBondContact O-CG 3.31Å; I841-L845 PolarHBondContact O-N 3.34Å |
| 842 | L | 78.5 | Confident | 68.5 | Low | 87 Ų | 87 | 84.7 Ų | 84.7 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.4 | -78.7 | 163.2 | 0 | 0 | 0 | 112.4 | L820 A838 R839 L845 S846 | L820-L842 HydrophobicContact CD1-CD1 4.24Å; L820-L842 HydrophobicContact CD1-CG 4.01Å; L820-L842 HydrophobicContact CD2-CD2 3.82Å; L820-L842 HydrophobicContact CD2-CG 4.08Å; A838-L842 WeakPolarHBondContact O-CB 3.46Å; A838-L842 WeakPolarHBondContact O-CG 3.11Å; A838-L842 PolarHBondContact O-N 3.3Å; R839-L842 PolarHBondContact O-N 3.44Å; L842-L845 PolarHBondContact O-N 2.99Å; L842-S846 VanDerWaalsContact O-CB 3.31Å; L842-S846 WeakPolarHBondContact O-CB 3.47Å; L842-S846 PolarHBondContact O-N 3.13Å |
| 843 | N | 70.4 | Confident | 68 | Low | 81 Ų | 81 | 84.9 Ų | 84.9 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175 | -80.1 | -0.9 | 0 | 0 | 0 | 111.6 | R839 N840 S846 N847 | R839-N843 WeakPolarHBondContact O-CB 3.44Å; R839-N843 PolarHBondContact O-N 3Å; N840-N843 PolarHBondContact O-N 3.29Å; N843-S846 PolarHBondContact O-N 3.33Å; N843-N847 WeakPolarHBondContact O-CB 3.5Å; N843-N847 VanDerWaalsContact O-CG 3.26Å; N843-N847 PolarHBondContact O-N 2.78Å |
| 844 | N | 69.1 | Low | 67.2 | Low | 107 Ų | 107 | 85.1 Ų | 85.1 | 57% | 0.572 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.4 | -39 | 178.3 | -72.2 | -15.7 | 0 | 0 | 0 | 112.2 | N840 I841 N847 F848 | N840-N844 WeakPolarHBondContact O-CB 3.03Å; N840-N844 VanDerWaalsContact O-CG 3.28Å; N840-N844 PolarHBondContact O-N 3.09Å; N840-N844 PolarHBondContact O-ND2 2.73Å; I841-N844 PolarHBondContact O-N 3.19Å; N844-N847 PolarHBondContact O-N 3.37Å; N844-F848 VanDerWaalsContact O-CB 3.26Å; N844-F848 WeakPolarHBondContact O-CB 3.25Å; N844-F848 PolarHBondContact O-N 2.75Å |
| 845 | L | 69.6 | Low | 66.6 | Low | 29 Ų | 29 | 87.3 Ų | 87.3 | 15% | 0.152 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 172.4 | -80.6 | 170.7 | 0 | 0 | 0 | 111.3 | M813 V816 I841 L842 F848 V849 | M813-L845 HydrophobicContact CE-CD2 4.27Å; M813-L845 HydrophobicContact SD-CD2 3.35Å; M813-L845 WeakPolarHBondContact SD-CD2 3.46Å; V816-L845 HydrophobicContact CB-CD2 4.36Å; V816-L845 HydrophobicContact CG1-CD1 3.78Å; V816-L845 HydrophobicContact CG1-CD2 3.69Å; V816-L845 HydrophobicContact CG1-CG 3.59Å; I841-L845 HydrophobicContact CG2-CD1 3.99Å; I841-L845 HydrophobicContact CG2-CG 4.49Å; I841-L845 WeakPolarHBondContact O-CB 3.44Å; I841-L845 WeakPolarHBondContact O-CG 3.31Å; I841-L845 PolarHBondContact O-N 3.34Å; L842-L845 PolarHBondContact O-N 2.99Å; L845-F848 PolarHBondContact O-N 3.11Å; L845-V849 WeakPolarHBondContact O-CB 3.31Å; L845-V849 VanDerWaalsContact O-CG2 3.27Å; L845-V849 WeakPolarHBondContact O-CG2 3.33Å; L845-V849 PolarHBondContact O-N 2.86Å |
| 846 | S | 65.2 | Low | 65.6 | Low | 67 Ų | 67 | 86.8 Ų | 86.8 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 176.7 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | L842 N843 F848 V849 Y850 | L842-S846 VanDerWaalsContact O-CB 3.31Å; L842-S846 WeakPolarHBondContact O-CB 3.47Å; L842-S846 PolarHBondContact O-N 3.13Å; N843-S846 PolarHBondContact O-N 3.33Å; S846-F848 VanDerWaalsContact C-N 3.32Å; S846-F848 PolarHBondContact O-N 3.35Å; S846-V849 PolarHBondContact O-N 2.9Å; S846-Y850 WeakPolarHBondContact O-CB 3.31Å; S846-Y850 PolarHBondContact O-N 3.47Å |
| 847 | N | 51.8 | Low | 64.8 | Low | 99 Ų | 99 | 86.5 Ų | 86.5 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 177.6 | -74.6 | -7.5 | 0 | 0 | 0 | 111.7 | N843 N844 Y850 T851 | N843-N847 WeakPolarHBondContact O-CB 3.5Å; N843-N847 VanDerWaalsContact O-CG 3.26Å; N843-N847 PolarHBondContact O-N 2.78Å; N844-N847 PolarHBondContact O-N 3.37Å; N847-Y850 PolarHBondContact O-N 2.89Å; N847-T851 WeakPolarHBondContact O-CB 3.38Å; N847-T851 PolarHBondContact O-N 2.93Å; N847-T851 PolarHBondContact O-OG1 2.88Å |
| 848 | F | 56.7 | Low | 63.5 | Low | 82 Ų | 82 | 88.4 Ų | 88.4 | 36% | 0.36 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -50.9 | 176.5 | 179.4 | -89.8 | 0 | 0 | 0 | 111.2 | C809 M813 N844 L845 S846 Y850 T851 S852 | C809-F848 HydrophobicContact CB-CZ 4.4Å; M813-F848 HydrophobicContact CE-CD1 3.5Å; M813-F848 HydrophobicContact CE-CE1 3.6Å; M813-F848 HydrophobicContact CG-CE1 4.36Å; M813-F848 HydrophobicContact SD-CD1 4.4Å; N844-F848 VanDerWaalsContact O-CB 3.26Å; N844-F848 WeakPolarHBondContact O-CB 3.25Å; N844-F848 PolarHBondContact O-N 2.75Å; L845-F848 PolarHBondContact O-N 3.11Å; S846-F848 VanDerWaalsContact C-N 3.32Å; S846-F848 PolarHBondContact O-N 3.35Å; F848-Y850 PolarHBondContact O-N 2.81Å; F848-T851 PolarHBondContact O-N 2.95Å; F848-T851 VanDerWaalsContact O-N 3.15Å; F848-T851 PolarHBondContact O-OG1 2.9Å; F848-S852 WeakPolarHBondContact O-CB 3.44Å; F848-S852 PolarHBondContact O-N 2.89Å; F848-S852 PolarHBondContact O-OG 2.97Å |
| 849 | V | 55.9 | Low | 62.3 | Low | 87 Ų | 87 | 94.6 Ų | 94.6 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -28.3 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | M813 L845 S846 S852 | M813-V849 HydrophobicContact CE-CG2 4.09Å; L845-V849 WeakPolarHBondContact O-CB 3.31Å; L845-V849 VanDerWaalsContact O-CG2 3.27Å; L845-V849 WeakPolarHBondContact O-CG2 3.33Å; L845-V849 PolarHBondContact O-N 2.86Å; S846-V849 PolarHBondContact O-N 2.9Å; V849-S852 VanDerWaalsContact O-OXT 3.1Å |
| 850 | Y | 41.6 | Very low | 60.9 | Low | 177 Ų | 177 | 90.5 Ų | 90.5 | 69% | 0.694 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -81.7 | -26.6 | 177 | -128.8 | -84.8 | 0 | 0 | 0 | 113.5 | S846 N847 F848 | S846-Y850 WeakPolarHBondContact O-CB 3.31Å; S846-Y850 PolarHBondContact O-N 3.47Å; N847-Y850 PolarHBondContact O-N 2.89Å; F848-Y850 PolarHBondContact O-N 2.81Å |
| 851 | T | 40.7 | Very low | 59.7 | Low | 123 Ų | 123 | 90 Ų | 90 | 76% | 0.755 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -93.8 | -26.7 | -179.8 | 34.7 | 0 | 0 | 0 | 0 | 113.5 | N847 F848 | N847-T851 WeakPolarHBondContact O-CB 3.38Å; N847-T851 PolarHBondContact O-N 2.93Å; N847-T851 PolarHBondContact O-OG1 2.88Å; F848-T851 PolarHBondContact O-N 2.95Å; F848-T851 VanDerWaalsContact O-N 3.15Å; F848-T851 PolarHBondContact O-OG1 2.9Å |
| 852 | S | 38.6 | Very low | 58 | Low | 121 Ų | 121 | 96.4 Ų | 96.4 | 85% | 0.846 | 53% | 0.527 | S | S | * | . | trans | -79.3 | 0 | 167.6 | 65.1 | 0 | 0 | 0 | 0 | 110.6 | F848 V849 | F848-S852 WeakPolarHBondContact O-CB 3.44Å; F848-S852 PolarHBondContact O-N 2.89Å; F848-S852 PolarHBondContact O-OG 2.97Å; V849-S852 VanDerWaalsContact O-OXT 3.1Å |
Retrieved 852 of 852 residues in 2250.3 ms
(Link to these results)