| 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 | 39 | Very low | 44.7 | Very low | 208 Ų | 208 | 78 Ų | 78 | 100% | 1.025 | 43% | 0.427 | S | S | * | . | 0 | -9.9 | 0 | -73.1 | 176.5 | 68.7 | 0 | 0 | 115.1 | G3 | M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.92Å | |||
| 2 | K | 37.8 | Very low | 45.1 | Very low | 188 Ų | 188 | 78.1 Ų | 78.1 | 82% | 0.817 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.5 | -27.1 | 176.8 | -67.1 | -179 | 176.7 | -175.1 | 0 | 113.8 | ||
| 3 | G | 36.8 | Very low | 45.3 | Very low | 28 Ų | 28 | 75 Ų | 75 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.6 | -35.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1 L6 L7 F46 | M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.92Å; G3-L6 PolarHBondContact O-N 2.82Å; G3-L7 PolarHBondContact O-N 3.48Å; G3-F46 VanDerWaalsContact CA-CZ 3.45Å |
| 4 | T | 41.4 | Very low | 45.1 | Very low | 108 Ų | 108 | 81 Ų | 81 | 66% | 0.663 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -71.3 | -33.9 | -179.3 | -44.2 | 0 | 0 | 0 | 0 | 112.1 | L7 A8 | T4-L7 PolarHBondContact O-N 3.46Å; T4-A8 WeakPolarHBondContact O-CB 3.06Å; T4-A8 PolarHBondContact O-N 3.48Å |
| 5 | L | 43.6 | Very low | 45.1 | Very low | 103 Ų | 103 | 79.7 Ų | 79.7 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 175.5 | -90.6 | 154.6 | 0 | 0 | 0 | 112.3 | A8 L9 | L5-A8 PolarHBondContact O-N 3.14Å; L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 PolarHBondContact O-N 3.42Å |
| 6 | L | 49.9 | Very low | 44.9 | Very low | 28 Ų | 28 | 80.9 Ų | 80.9 | 15% | 0.147 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 177.3 | -114.4 | 151.5 | 0 | 0 | 0 | 111.9 | G3 L9 L10 F26 V29 F46 | G3-L6 PolarHBondContact O-N 2.82Å; L6-L9 WeakPolarHBondContact O-CB 3.49Å; L6-L9 PolarHBondContact O-N 3.46Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 PolarHBondContact O-N 3.19Å; L6-F26 HydrophobicContact CD2-CD2 4.2Å; L6-V29 HydrophobicContact CD1-CG2 4.41Å; L6-V29 HydrophobicContact CD2-CB 4.21Å; L6-V29 HydrophobicContact CD2-CG1 4.19Å; L6-V29 HydrophobicContact CD2-CG2 4.2Å; L6-F46 HydrophobicContact CB-CZ 3.8Å; L6-F46 HydrophobicContact CD1-CE2 3.87Å; L6-F46 HydrophobicContact CD1-CZ 3.79Å; L6-F46 HydrophobicContact CG-CZ 4.37Å |
| 7 | L | 49.2 | Very low | 44.7 | Very low | 41 Ų | 41 | 80.3 Ų | 80.3 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 173.4 | -132.2 | 85.2 | 0 | 0 | 0 | 112.1 | G3 T4 L9 L10 V11 V52 L56 | G3-L7 PolarHBondContact O-N 3.48Å; T4-L7 PolarHBondContact O-N 3.46Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-V11 VanDerWaalsContact O-CB 3.23Å; L7-V11 WeakPolarHBondContact O-CB 3.22Å; L7-V11 WeakPolarHBondContact O-CG2 3.17Å; L7-V11 PolarHBondContact O-N 3.07Å; L7-V52 HydrophobicContact CD1-CG1 3.68Å; L7-V52 HydrophobicContact CD2-CG1 3.64Å; L7-V52 HydrophobicContact CG-CG1 4.31Å; L7-L56 HydrophobicContact CD1-CD1 3.18Å; L7-L56 HydrophobicContact CD2-CD1 3.98Å; L7-L56 HydrophobicContact CG-CD1 3.63Å |
| 8 | A | 47.5 | Very low | 44.4 | Very low | 43 Ų | 43 | 85.6 Ų | 85.6 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T4 L5 L10 V11 T12 | T4-A8 WeakPolarHBondContact O-CB 3.06Å; T4-A8 PolarHBondContact O-N 3.48Å; L5-A8 PolarHBondContact O-N 3.14Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 2.94Å; A8-V11 PolarHBondContact O-N 3.42Å; A8-T12 PolarHBondContact O-N 2.9Å; A8-T12 PolarHBondContact O-OG1 3.46Å |
| 9 | L | 52 | Low | 44.1 | Very low | 18 Ų | 18 | 85.7 Ų | 85.7 | 9% | 0.094 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -51.7 | -46.6 | 174.7 | -111.5 | 128 | 0 | 0 | 0 | 113.6 | L5 L6 L7 G13 L15 F17 F26 | L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 PolarHBondContact O-N 3.42Å; L6-L9 WeakPolarHBondContact O-CB 3.49Å; L6-L9 PolarHBondContact O-N 3.46Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L9-G13 PolarHBondContact O-N 3.01Å; L9-L15 HydrophobicContact CB-CD1 4.49Å; L9-L15 HydrophobicContact CD1-CB 4.36Å; L9-L15 HydrophobicContact CD1-CD1 3.57Å; L9-L15 HydrophobicContact CD1-CD2 4.23Å; L9-L15 HydrophobicContact CD1-CG 4.24Å; L9-L15 HydrophobicContact CD2-CB 4.17Å; L9-L15 HydrophobicContact CG-CB 3.99Å; L9-L15 HydrophobicContact CG-CD1 3.59Å; L9-L15 HydrophobicContact CG-CG 4.26Å; L9-F17 HydrophobicContact CD2-CE1 3.8Å; L9-F17 HydrophobicContact CD2-CZ 3.89Å; L9-F26 HydrophobicContact CB-CD2 4.36Å; L9-F26 HydrophobicContact CB-CE2 4.06Å; L9-F26 HydrophobicContact CD2-CD1 4.43Å; L9-F26 HydrophobicContact CD2-CD2 3.45Å; L9-F26 VanDerWaalsContact CD2-CD2 3.45Å; L9-F26 HydrophobicContact CD2-CE1 4.3Å; L9-F26 HydrophobicContact CD2-CE2 3.28Å; L9-F26 HydrophobicContact CD2-CG 4.03Å; L9-F26 HydrophobicContact CD2-CZ 3.74Å; L9-F26 HydrophobicContact CG-CD2 4.33Å; L9-F26 HydrophobicContact CG-CE2 4.22Å |
| 10 | L | 51.3 | Low | 43.8 | Very low | 12 Ų | 12 | 87.2 Ų | 87.2 | 6% | 0.063 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -74.1 | -33.9 | -176.7 | -136.8 | 72.1 | 0 | 0 | 0 | 112.3 | L6 L7 A8 F26 L63 L67 | L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 PolarHBondContact O-N 3.19Å; L7-L10 PolarHBondContact O-N 3.47Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 2.94Å; L10-F26 HydrophobicContact CD1-CE2 4.38Å; L10-L63 HydrophobicContact CB-CD1 3.69Å; L10-L63 HydrophobicContact CD2-CD1 3.49Å; L10-L63 VanDerWaalsContact CD2-CD1 3.49Å; L10-L63 HydrophobicContact CD2-CD2 3.28Å; L10-L63 HydrophobicContact CD2-CG 3.5Å; L10-L63 HydrophobicContact CG-CD1 3.31Å; L10-L63 HydrophobicContact CG-CD2 4.08Å; L10-L63 HydrophobicContact CG-CG 3.71Å; L10-L63 VanDerWaalsContact O-CD1 3.31Å; L10-L63 WeakPolarHBondContact O-CD1 3.43Å; L10-L67 HydrophobicContact CD1-CD2 3.86Å |
| 11 | V | 43.7 | Very low | 43.6 | Very low | 81 Ų | 81 | 91.3 Ų | 91.3 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -88.5 | -38.1 | -174.8 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | L7 A8 | L7-V11 VanDerWaalsContact O-CB 3.23Å; L7-V11 WeakPolarHBondContact O-CB 3.22Å; L7-V11 WeakPolarHBondContact O-CG2 3.17Å; L7-V11 PolarHBondContact O-N 3.07Å; A8-V11 PolarHBondContact O-N 3.42Å |
| 12 | T | 48.7 | Very low | 43.9 | Very low | 79 Ų | 79 | 84 Ų | 84 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -95.5 | -20.4 | -178 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | A8 E14 | A8-T12 PolarHBondContact O-N 2.9Å; A8-T12 PolarHBondContact O-OG1 3.46Å; T12-E14 PolarHBondContact O-N 3.45Å |
| 13 | G | 48.1 | Very low | 44.4 | Very low | 38 Ų | 38 | 76.1 Ų | 76.1 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | trans | 65.6 | -20.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L9 L15 | L9-G13 PolarHBondContact O-N 3.01Å; G13-L15 PolarHBondContact O-N 3.22Å | ||
| 14 | E | 42.1 | Very low | 44.8 | Very low | 159 Ų | 159 | 77.4 Ų | 77.4 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | trans | -82.9 | 91.6 | 174.3 | -72.8 | 171.2 | 146.7 | 0 | 0 | 109.9 | T12 | T12-E14 PolarHBondContact O-N 3.45Š| ||
| 15 | L | 45.4 | Very low | 45.1 | Very low | 61 Ų | 61 | 75.5 Ų | 75.5 | 32% | 0.319 | 43% | 0.429 | S | S | . | . | trans | -126.6 | 117.2 | 141.2 | -116.4 | 109.2 | 0 | 0 | 0 | 109.3 | L9 G13 F17 | L9-L15 HydrophobicContact CB-CD1 4.49Å; L9-L15 HydrophobicContact CD1-CB 4.36Å; L9-L15 HydrophobicContact CD1-CD1 3.57Å; L9-L15 HydrophobicContact CD1-CD2 4.23Å; L9-L15 HydrophobicContact CD1-CG 4.24Å; L9-L15 HydrophobicContact CD2-CB 4.17Å; L9-L15 HydrophobicContact CG-CB 3.99Å; L9-L15 HydrophobicContact CG-CD1 3.59Å; L9-L15 HydrophobicContact CG-CG 4.26Å; G13-L15 PolarHBondContact O-N 3.22Å; L15-F17 VanDerWaalsContact C-N 3.29Å; L15-F17 WeakPolarHBondContact O-CD2 3.45Å; L15-F17 PolarHBondContact O-N 3.37Å | ||
| 16 | S | 41.9 | Very low | 45.5 | Very low | 100 Ų | 100 | 70.8 Ų | 70.8 | 70% | 0.699 | 40% | 0.404 | S | S | * | . | trans | -58.2 | 98.6 | 158 | -39.7 | 0 | 0 | 0 | 0 | 106.8 | Q18 | S16-Q18 VanDerWaalsContact C-N 3.31Å; S16-Q18 PolarHBondContact O-N 3.21Å | ||
| 17 | F | 42.2 | Very low | 45.6 | Very low | 70 Ų | 70 | 70.7 Ų | 70.7 | 31% | 0.307 | 40% | 0.402 | S | S | . | . | trans | -64.5 | 88.3 | -177.8 | -71.8 | -76.3 | 0 | 0 | 0 | 110.2 | L9 L15 L23 F26 I76 | L9-F17 HydrophobicContact CD2-CE1 3.8Å; L9-F17 HydrophobicContact CD2-CZ 3.89Å; L15-F17 VanDerWaalsContact C-N 3.29Å; L15-F17 WeakPolarHBondContact O-CD2 3.45Å; L15-F17 PolarHBondContact O-N 3.37Å; F17-L23 HydrophobicContact CB-CD2 4.31Å; F17-L23 HydrophobicContact CD1-CD2 3.1Å; F17-L23 HydrophobicContact CD1-CG 3.95Å; F17-L23 HydrophobicContact CD2-CD2 4.44Å; F17-L23 HydrophobicContact CE1-CD2 3.28Å; F17-L23 HydrophobicContact CE1-CG 4.44Å; F17-L23 HydrophobicContact CG-CD2 3.73Å; F17-L23 HydrophobicContact CZ-CD2 4.05Å; F17-F26 HydrophobicContact CE1-CD1 4.14Å; F17-F26 HydrophobicContact CE1-CE1 4.36Å; F17-F26 HydrophobicContact CZ-CD1 4.15Å; F17-F26 AromaticContact CZ-CE1 3.91Å; F17-F26 HydrophobicContact CZ-CE1 3.91Å; F17-F26 HydrophobicContact CZ-CZ 4.45Å; F17-I76 HydrophobicContact CE2-CD1 3.96Å; F17-I76 HydrophobicContact CE2-CG1 4.24Å | ||
| 18 | Q | 38.2 | Very low | 45.6 | Very low | 175 Ų | 175 | 71.8 Ų | 71.8 | 82% | 0.818 | 41% | 0.408 | S | S | * | . | trans | -88.9 | -12.2 | -177.3 | -78.2 | -175.6 | -11.8 | 0 | 0 | 113.8 | S16 | S16-Q18 VanDerWaalsContact C-N 3.31Å; S16-Q18 PolarHBondContact O-N 3.21Å | ||
| 19 | T | 38.5 | Very low | 45.8 | Very low | 89 Ų | 89 | 70.9 Ų | 70.9 | 55% | 0.546 | 40% | 0.399 | S | S | . | . | trans | -144 | 127.2 | 178.4 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | E21 S22 | T19-E21 PolarHBondContact O-N 3.04Å; T19-S22 PolarHBondContact O-N 3.15Å; T19-S22 PolarHBondContact O-OG 3.16Å | ||
| 20 | T | 39.3 | Very low | 45.9 | Very low | 114 Ų | 114 | 70.2 Ų | 70.2 | 70% | 0.699 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.8 | -24.4 | -178.3 | 36.1 | 0 | 0 | 0 | 0 | 114.5 | S22 L23 | T20-S22 VanDerWaalsContact C-N 3.35Å; T20-S22 PolarHBondContact O-N 3.06Å; T20-L23 HydrophobicContact CG2-CD1 4.4Å; T20-L23 WeakPolarHBondContact O-CB 3.29Å; T20-L23 PolarHBondContact O-N 3.38Å |
| 21 | E | 39.9 | Very low | 45.9 | Very low | 174 Ų | 174 | 70.1 Ų | 70.1 | 81% | 0.813 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -72.4 | -25.6 | 177.8 | -69.4 | -175.3 | 158.8 | 0 | 0 | 113.6 | T19 P25 | T19-E21 PolarHBondContact O-N 3.04Å; E21-P25 WeakPolarHBondContact O-CD 3.46Å |
| 22 | S | 44.7 | Very low | 46.3 | Very low | 55 Ų | 55 | 67.3 Ų | 67.3 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -84.2 | -15.4 | 178.2 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | T19 T20 | T19-S22 PolarHBondContact O-N 3.15Å; T19-S22 PolarHBondContact O-OG 3.16Å; T20-S22 VanDerWaalsContact C-N 3.35Å; T20-S22 PolarHBondContact O-N 3.06Å |
| 23 | L | 47.2 | Very low | 46.3 | Very low | 23 Ų | 23 | 64.7 Ų | 64.7 | 12% | 0.12 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.4 | -36.6 | 179.6 | -78.5 | 171.9 | 0 | 0 | 0 | 112.2 | F17 T20 F26 F27 | F17-L23 HydrophobicContact CB-CD2 4.31Å; F17-L23 HydrophobicContact CD1-CD2 3.1Å; F17-L23 HydrophobicContact CD1-CG 3.95Å; F17-L23 HydrophobicContact CD2-CD2 4.44Å; F17-L23 HydrophobicContact CE1-CD2 3.28Å; F17-L23 HydrophobicContact CE1-CG 4.44Å; F17-L23 HydrophobicContact CG-CD2 3.73Å; F17-L23 HydrophobicContact CZ-CD2 4.05Å; T20-L23 HydrophobicContact CG2-CD1 4.4Å; T20-L23 WeakPolarHBondContact O-CB 3.29Å; T20-L23 PolarHBondContact O-N 3.38Å; L23-F26 WeakPolarHBondContact O-CB 3.16Å; L23-F26 PolarHBondContact O-N 2.83Å; L23-F27 HydrophobicContact CB-CD2 3.93Å; L23-F27 HydrophobicContact CB-CE2 3.84Å; L23-F27 HydrophobicContact CD1-CE2 4.46Å; L23-F27 HydrophobicContact CD2-CD2 4.41Å; L23-F27 HydrophobicContact CD2-CE2 3.7Å; L23-F27 HydrophobicContact CD2-CZ 4.2Å; L23-F27 HydrophobicContact CG-CE2 4.23Å; L23-F27 WeakPolarHBondContact O-CB 3.48Å; L23-F27 WeakPolarHBondContact O-CD2 3.25Å; L23-F27 WeakPolarHBondContact O-CG 3.02Å; L23-F27 PolarHBondContact O-N 2.78Å |
| 24 | V | 45.3 | Very low | 46.3 | Very low | 54 Ų | 54 | 63.7 Ų | 63.7 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | -173.5 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | F26 F27 N28 Y90 | V24-F26 VanDerWaalsContact C-N 3.29Å; V24-F26 PolarHBondContact O-N 3.49Å; V24-F27 PolarHBondContact O-N 3.39Å; V24-N28 PolarHBondContact O-N 2.86Å; V24-Y90 HydrophobicContact CG1-CD2 4.23Å; V24-Y90 HydrophobicContact CG1-CE2 3.3Å; V24-Y90 WeakPolarHBondContact CG1-OH 3.31Å |
| 25 | P | 49.2 | Very low | 46.4 | Very low | 68 Ų | 68 | 58.7 Ų | 58.7 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 173.6 | -18.1 | 31.1 | 0 | 0 | 0 | 112.6 | E21 N28 V29 | E21-P25 WeakPolarHBondContact O-CD 3.46Å; P25-N28 PolarHBondContact O-N 3.49Å; P25-V29 WeakPolarHBondContact O-CG2 3.39Å; P25-V29 PolarHBondContact O-N 3.2Å; P25-V29 VanDerWaalsContact O-N 3.11Å |
| 26 | F | 50.7 | Low | 46.3 | Very low | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.022 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 175.8 | 178.5 | -103.7 | 0 | 0 | 0 | 110.8 | L6 L9 L10 F17 L23 V24 N28 V29 Y30 M70 | L6-F26 HydrophobicContact CD2-CD2 4.2Å; L9-F26 HydrophobicContact CB-CD2 4.36Å; L9-F26 HydrophobicContact CB-CE2 4.06Å; L9-F26 HydrophobicContact CD2-CD1 4.43Å; L9-F26 HydrophobicContact CD2-CD2 3.45Å; L9-F26 VanDerWaalsContact CD2-CD2 3.45Å; L9-F26 HydrophobicContact CD2-CE1 4.3Å; L9-F26 HydrophobicContact CD2-CE2 3.28Å; L9-F26 HydrophobicContact CD2-CG 4.03Å; L9-F26 HydrophobicContact CD2-CZ 3.74Å; L9-F26 HydrophobicContact CG-CD2 4.33Å; L9-F26 HydrophobicContact CG-CE2 4.22Å; L10-F26 HydrophobicContact CD1-CE2 4.38Å; F17-F26 HydrophobicContact CE1-CD1 4.14Å; F17-F26 HydrophobicContact CE1-CE1 4.36Å; F17-F26 HydrophobicContact CZ-CD1 4.15Å; F17-F26 AromaticContact CZ-CE1 3.91Å; F17-F26 HydrophobicContact CZ-CE1 3.91Å; F17-F26 HydrophobicContact CZ-CZ 4.45Å; L23-F26 WeakPolarHBondContact O-CB 3.16Å; L23-F26 PolarHBondContact O-N 2.83Å; V24-F26 VanDerWaalsContact C-N 3.29Å; V24-F26 PolarHBondContact O-N 3.49Å; F26-N28 VanDerWaalsContact C-N 3.26Å; F26-N28 PolarHBondContact O-N 3.12Å; F26-V29 PolarHBondContact O-N 3.11Å; F26-Y30 HydrophobicContact CE1-CD2 4.44Å; F26-Y30 HydrophobicContact CZ-CD2 4.45Å; F26-Y30 WeakPolarHBondContact O-CB 3.43Å; F26-Y30 PolarHBondContact O-N 3.48Å; F26-M70 HydrophobicContact CE1-SD 4.02Å; F26-M70 HydrophobicContact CZ-CE 4.36Å; F26-M70 HydrophobicContact CZ-SD 3.53Å; F26-M70 VanDerWaalsContact CZ-SD 3.53Å |
| 27 | F | 52 | Low | 46.5 | Very low | 25 Ų | 25 | 59.6 Ų | 59.6 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -29.6 | 175.8 | -76.9 | -57 | 0 | 0 | 0 | 112.6 | L23 V24 Y30 A31 I76 A79 M80 | L23-F27 HydrophobicContact CB-CD2 3.93Å; L23-F27 HydrophobicContact CB-CE2 3.84Å; L23-F27 HydrophobicContact CD1-CE2 4.46Å; L23-F27 HydrophobicContact CD2-CD2 4.41Å; L23-F27 HydrophobicContact CD2-CE2 3.7Å; L23-F27 HydrophobicContact CD2-CZ 4.2Å; L23-F27 HydrophobicContact CG-CE2 4.23Å; L23-F27 WeakPolarHBondContact O-CB 3.48Å; L23-F27 WeakPolarHBondContact O-CD2 3.25Å; L23-F27 WeakPolarHBondContact O-CG 3.02Å; L23-F27 PolarHBondContact O-N 2.78Å; V24-F27 PolarHBondContact O-N 3.39Å; F27-Y30 HydrophobicContact CD1-CD1 4.09Å; F27-Y30 HydrophobicContact CD1-CE1 4.43Å; F27-A31 WeakPolarHBondContact O-CA 3.28Å; F27-A31 WeakPolarHBondContact O-CB 3.12Å; F27-A31 PolarHBondContact O-N 3.29Å; F27-I76 HydrophobicContact CE1-CG2 3.92Å; F27-I76 HydrophobicContact CZ-CG2 4.19Å; F27-A79 HydrophobicContact CZ-CB 4.31Å; F27-M80 HydrophobicContact CD1-CG 3.75Å; F27-M80 HydrophobicContact CD1-SD 4.21Å; F27-M80 HydrophobicContact CE1-CG 3.2Å; F27-M80 HydrophobicContact CE1-SD 3.83Å; F27-M80 HydrophobicContact CE2-CG 4.46Å; F27-M80 HydrophobicContact CZ-CG 3.63Å |
| 28 | N | 50.7 | Low | 46.9 | Very low | 64 Ų | 64 | 65.2 Ų | 65.2 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.8 | -44.5 | 174 | -114.4 | 16.1 | 0 | 0 | 0 | 113.8 | V24 P25 F26 Y30 A31 S32 Y90 | V24-N28 PolarHBondContact O-N 2.86Å; P25-N28 PolarHBondContact O-N 3.49Å; F26-N28 VanDerWaalsContact C-N 3.26Å; F26-N28 PolarHBondContact O-N 3.12Å; N28-Y30 VanDerWaalsContact C-N 3.33Å; N28-A31 WeakPolarHBondContact O-CB 2.96Å; N28-S32 WeakPolarHBondContact O-CB 3.47Å; N28-S32 PolarHBondContact O-N 3.43Å; N28-S32 PolarHBondContact O-OG 3.16Å; N28-Y90 PolarHBondContact ND2-OH 3.26Å; N28-Y90 WeakPolarHBondContact OD1-CE1 3.36Å; N28-Y90 VanDerWaalsContact OD1-CZ 3.3Å; N28-Y90 PolarHBondContact OD1-OH 2.94Å |
| 29 | V | 50.8 | Low | 47.5 | Very low | 25 Ų | 25 | 57.2 Ų | 57.2 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 175.5 | 174 | 0 | 0 | 0 | 0 | 108.4 | L6 P25 F26 S32 V33 | L6-V29 HydrophobicContact CD1-CG2 4.41Å; L6-V29 HydrophobicContact CD2-CB 4.21Å; L6-V29 HydrophobicContact CD2-CG1 4.19Å; L6-V29 HydrophobicContact CD2-CG2 4.2Å; P25-V29 WeakPolarHBondContact O-CG2 3.39Å; P25-V29 PolarHBondContact O-N 3.2Å; P25-V29 VanDerWaalsContact O-N 3.11Å; F26-V29 PolarHBondContact O-N 3.11Å; V29-S32 PolarHBondContact O-N 3.37Å; V29-V33 HydrophobicContact CG1-CG2 4.47Å; V29-V33 WeakPolarHBondContact O-CB 3.4Å; V29-V33 WeakPolarHBondContact O-CG2 3.34Å; V29-V33 PolarHBondContact O-N 3.32Å |
| 30 | Y | 54.8 | Low | 48 | Very low | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 176.4 | -174.9 | -103 | 0 | 0 | 0 | 113.7 | F26 F27 N28 S32 V33 L34 L67 M70 L71 M80 | F26-Y30 HydrophobicContact CE1-CD2 4.44Å; F26-Y30 HydrophobicContact CZ-CD2 4.45Å; F26-Y30 WeakPolarHBondContact O-CB 3.43Å; F26-Y30 PolarHBondContact O-N 3.48Å; F27-Y30 HydrophobicContact CD1-CD1 4.09Å; F27-Y30 HydrophobicContact CD1-CE1 4.43Å; N28-Y30 VanDerWaalsContact C-N 3.33Å; Y30-S32 VanDerWaalsContact C-N 3.32Å; Y30-S32 PolarHBondContact O-N 3.16Å; Y30-V33 PolarHBondContact O-N 2.92Å; Y30-L34 HydrophobicContact CD1-CD1 3.53Å; Y30-L34 HydrophobicContact CE1-CD1 3.47Å; Y30-L34 VanDerWaalsContact CE1-CD1 3.47Å; Y30-L34 HydrophobicContact CG-CD1 4.17Å; Y30-L34 WeakPolarHBondContact O-CB 3.42Å; Y30-L34 WeakPolarHBondContact O-CG 3.37Å; Y30-L34 PolarHBondContact O-N 2.99Å; Y30-L67 HydrophobicContact CD2-CD2 3.56Å; Y30-L67 HydrophobicContact CE2-CD2 3.75Å; Y30-M70 HydrophobicContact CE2-SD 4.37Å; Y30-L71 HydrophobicContact CE1-CD2 3.54Å; Y30-L71 HydrophobicContact CE1-CG 4.13Å; Y30-L71 HydrophobicContact CE2-CG 4.2Å; Y30-L71 VanDerWaalsContact CZ-CD2 3.4Å; Y30-L71 VanDerWaalsContact CZ-CG 3.48Å; Y30-L71 VanDerWaalsContact OH-CA 3.29Å; Y30-L71 WeakPolarHBondContact OH-CA 3.41Å; Y30-L71 WeakPolarHBondContact OH-CD2 3.44Å; Y30-L71 WeakPolarHBondContact OH-CG 3.45Å; Y30-L71 PolarHBondContact OH-N 3.12Å; Y30-M80 HydrophobicContact CE1-SD 3.96Å |
| 31 | A | 50.1 | Low | 48.6 | Very low | 9 Ų | 9 | 58.1 Ų | 58.1 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.9 | -47.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F27 N28 L34 S35 I98 | F27-A31 WeakPolarHBondContact O-CA 3.28Å; F27-A31 WeakPolarHBondContact O-CB 3.12Å; F27-A31 PolarHBondContact O-N 3.29Å; N28-A31 WeakPolarHBondContact O-CB 2.96Å; A31-L34 PolarHBondContact O-N 3.25Å; A31-S35 WeakPolarHBondContact O-CB 3.31Å; A31-S35 PolarHBondContact O-N 3.1Å; A31-S35 PolarHBondContact O-OG 2.68Å; A31-I98 HydrophobicContact CB-CD1 3.04Å; A31-I98 HydrophobicContact CB-CG1 3.68Å |
| 32 | S | 51.6 | Low | 49.1 | Very low | 23 Ų | 23 | 52.8 Ų | 52.8 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.7 | -40.7 | -176 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | N28 V29 Y30 L34 S35 K37 | N28-S32 WeakPolarHBondContact O-CB 3.47Å; N28-S32 PolarHBondContact O-N 3.43Å; N28-S32 PolarHBondContact O-OG 3.16Å; V29-S32 PolarHBondContact O-N 3.37Å; Y30-S32 VanDerWaalsContact C-N 3.32Å; Y30-S32 PolarHBondContact O-N 3.16Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 3.3Å; S32-S35 PolarHBondContact O-N 2.76Å; S32-S35 PolarHBondContact O-OG 3.33Å; S32-K37 VanDerWaalsContact O-O 3.12Å |
| 33 | V | 49.3 | Very low | 49.4 | Very low | 24 Ų | 24 | 51.4 Ų | 51.4 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 172.5 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | V29 Y30 L39 L67 | V29-V33 HydrophobicContact CG1-CG2 4.47Å; V29-V33 WeakPolarHBondContact O-CB 3.4Å; V29-V33 WeakPolarHBondContact O-CG2 3.34Å; V29-V33 PolarHBondContact O-N 3.32Å; Y30-V33 PolarHBondContact O-N 2.92Å; V33-L39 HydrophobicContact CB-CB 4.49Å; V33-L39 HydrophobicContact CB-CD1 4.48Å; V33-L39 HydrophobicContact CG1-CB 4.1Å; V33-L39 HydrophobicContact CG1-CD1 4.37Å; V33-L39 HydrophobicContact CG1-CD2 4.27Å; V33-L39 HydrophobicContact CG1-CG 4.46Å; V33-L39 HydrophobicContact CG2-CB 3.9Å; V33-L39 HydrophobicContact CG2-CD1 3.3Å; V33-L39 HydrophobicContact CG2-CG 4.06Å; V33-L67 HydrophobicContact CG1-CD1 3.68Å |
| 34 | L | 48.9 | Very low | 49.6 | Very low | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 176.9 | -76.1 | 164.6 | 0 | 0 | 0 | 112.8 | Y30 A31 S32 G36 L71 I98 Y101 I102 | Y30-L34 HydrophobicContact CD1-CD1 3.53Å; Y30-L34 HydrophobicContact CE1-CD1 3.47Å; Y30-L34 VanDerWaalsContact CE1-CD1 3.47Å; Y30-L34 HydrophobicContact CG-CD1 4.17Å; Y30-L34 WeakPolarHBondContact O-CB 3.42Å; Y30-L34 WeakPolarHBondContact O-CG 3.37Å; Y30-L34 PolarHBondContact O-N 2.99Å; A31-L34 PolarHBondContact O-N 3.25Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 3.3Å; L34-G36 PolarHBondContact O-N 2.97Å; L34-L71 HydrophobicContact CD1-CD1 3.89Å; L34-L71 HydrophobicContact CD1-CD2 3.83Å; L34-L71 HydrophobicContact CD1-CG 4.3Å; L34-L71 HydrophobicContact CD2-CD1 3.4Å; L34-L71 VanDerWaalsContact CD2-CD1 3.4Å; L34-L71 HydrophobicContact CG-CD1 4.21Å; L34-I98 HydrophobicContact CB-CG2 4.4Å; L34-I98 HydrophobicContact CD1-CG2 3.98Å; L34-Y101 HydrophobicContact CB-CD1 4.16Å; L34-Y101 HydrophobicContact CB-CE1 4.38Å; L34-Y101 HydrophobicContact CD2-CD1 4.36Å; L34-Y101 HydrophobicContact CD2-CE1 4.22Å; L34-Y101 WeakPolarHBondContact O-CD1 3.08Å; L34-Y101 WeakPolarHBondContact O-CE1 3.48Å; L34-I102 HydrophobicContact CD1-CD1 4.23Å; L34-I102 HydrophobicContact CD1-CG1 4.38Å |
| 35 | S | 44 | Very low | 49.7 | Very low | 55 Ų | 55 | 57.4 Ų | 57.4 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 5.7 | -178.3 | 73.3 | 0 | 0 | 0 | 0 | 115.3 | A31 S32 K37 | A31-S35 WeakPolarHBondContact O-CB 3.31Å; A31-S35 PolarHBondContact O-N 3.1Å; A31-S35 PolarHBondContact O-OG 2.68Å; S32-S35 PolarHBondContact O-N 2.76Å; S32-S35 PolarHBondContact O-OG 3.33Å; S35-K37 PolarHBondContact O-N 3.31Å; S35-K37 VanDerWaalsContact O-N 3.12Å |
| 36 | G | 42.1 | Very low | 49.6 | Very low | 50 Ų | 50 | 56.5 Ų | 56.5 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 0.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L34 R38 | L34-G36 PolarHBondContact O-N 2.97Å; G36-R38 PolarHBondContact O-N 2.72Å |
| 37 | K | 46.5 | Very low | 49.4 | Very low | 130 Ų | 130 | 64.5 Ų | 64.5 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -67.8 | 89.6 | 161.8 | -73.1 | -177.2 | 179.7 | 175 | 0 | 106.4 | S32 S35 L39 | S32-K37 VanDerWaalsContact O-O 3.12Å; S35-K37 PolarHBondContact O-N 3.31Å; S35-K37 VanDerWaalsContact O-N 3.12Å; K37-L39 PolarHBondContact O-N 3.36Å |
| 38 | R | 50.7 | Low | 49.4 | Very low | 187 Ų | 187 | 64.4 Ų | 64.4 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | trans | -24.5 | 111.6 | -177.6 | -73.2 | 177.5 | 170 | 172.6 | -3.1 | 109.1 | G36 Y40 Q41 | G36-R38 PolarHBondContact O-N 2.72Å; R38-Y40 CarbonylContact O-C 3.45Å; R38-Y40 WeakPolarHBondContact O-CA 3.29Å; R38-Y40 PolarHBondContact O-N 2.8Å; R38-Q41 PolarHBondContact O-N 3.43Å | ||
| 39 | L | 52.1 | Low | 49.4 | Very low | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -32.4 | -40.2 | 168.3 | 168.2 | 58.5 | 0 | 0 | 0 | 111.2 | V33 K37 Q41 E42 L43 L60 L63 | V33-L39 HydrophobicContact CB-CB 4.49Å; V33-L39 HydrophobicContact CB-CD1 4.48Å; V33-L39 HydrophobicContact CG1-CB 4.1Å; V33-L39 HydrophobicContact CG1-CD1 4.37Å; V33-L39 HydrophobicContact CG1-CD2 4.27Å; V33-L39 HydrophobicContact CG1-CG 4.46Å; V33-L39 HydrophobicContact CG2-CB 3.9Å; V33-L39 HydrophobicContact CG2-CD1 3.3Å; V33-L39 HydrophobicContact CG2-CG 4.06Å; K37-L39 PolarHBondContact O-N 3.36Å; L39-Q41 PolarHBondContact O-N 3.22Å; L39-E42 PolarHBondContact O-N 3.39Å; L39-L43 HydrophobicContact CD1-CD1 3.76Å; L39-L43 HydrophobicContact CD1-CD2 4.12Å; L39-L43 HydrophobicContact CD1-CG 3.78Å; L39-L43 HydrophobicContact CG-CD1 3.69Å; L39-L43 HydrophobicContact CG-CG 4.19Å; L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 WeakPolarHBondContact O-CG 2.71Å; L39-L43 PolarHBondContact O-N 2.91Å; L39-L60 HydrophobicContact CB-CD1 4.45Å; L39-L60 HydrophobicContact CD2-CD1 3.35Å; L39-L60 HydrophobicContact CD2-CG 4.05Å; L39-L60 HydrophobicContact CG-CD1 3.81Å; L39-L63 HydrophobicContact CD1-CD2 4.37Å; L39-L63 HydrophobicContact CD2-CD2 3.61Å; L39-L63 HydrophobicContact CD2-CG 4.36Å; L39-L63 HydrophobicContact CG-CD2 4.49Å |
| 40 | Y | 48.7 | Very low | 49.8 | Very low | 103 Ų | 103 | 68.3 Ų | 68.3 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -40.7 | -51.7 | 166.4 | -159.2 | -94.1 | 0 | 0 | 0 | 117.8 | R38 L43 Q44 E57 | R38-Y40 CarbonylContact O-C 3.45Å; R38-Y40 WeakPolarHBondContact O-CA 3.29Å; R38-Y40 PolarHBondContact O-N 2.8Å; Y40-L43 PolarHBondContact O-N 3.26Å; Y40-Q44 HydrophobicContact CD1-CG 4.23Å; Y40-Q44 HydrophobicContact CE1-CG 4.05Å; Y40-Q44 WeakPolarHBondContact O-CG 3.07Å; Y40-Q44 PolarHBondContact O-N 2.95Å; Y40-E57 HydrophobicContact CD2-CG 4.41Å; Y40-E57 HydrophobicContact CE2-CG 3.95Å; Y40-E57 WeakPolarHBondContact CE2-OE1 2.95Å; Y40-E57 PolarHBondContact OH-OE1 3.38Å; Y40-E57 VanDerWaalsContact OH-OE1 3.09Å |
| 41 | Q | 50.5 | Low | 49.6 | Very low | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.9 | -39.4 | -178.3 | -72.9 | 179.7 | -29.2 | 0 | 0 | 112.2 | R38 L39 Q44 T45 | R38-Q41 PolarHBondContact O-N 3.43Å; L39-Q41 PolarHBondContact O-N 3.22Å; Q41-Q44 WeakPolarHBondContact O-CB 3.45Å; Q41-Q44 PolarHBondContact O-N 3.07Å; Q41-T45 PolarHBondContact O-N 3.41Å; Q41-T45 VanDerWaalsContact O-N 3.16Å |
| 42 | E | 50.5 | Low | 49.7 | Very low | 62 Ų | 62 | 77.6 Ų | 77.6 | 29% | 0.29 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 172.6 | -79.6 | -73.2 | 151.7 | 0 | 0 | 111.8 | L39 Q44 T45 F46 | L39-E42 PolarHBondContact O-N 3.39Å; E42-Q44 VanDerWaalsContact C-N 3.26Å; E42-Q44 PolarHBondContact O-N 2.86Å; E42-T45 WeakPolarHBondContact CA-OG1 3.42Å; E42-T45 PolarHBondContact O-N 3.45Å; E42-T45 PolarHBondContact O-OG1 3.49Å; E42-F46 PolarHBondContact O-N 3.25Å |
| 43 | L | 51.1 | Low | 49.9 | Very low | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.4 | -26.8 | 172.6 | -69.2 | 172.5 | 0 | 0 | 0 | 112.6 | L39 Y40 F46 K53 L56 L60 | L39-L43 HydrophobicContact CD1-CD1 3.76Å; L39-L43 HydrophobicContact CD1-CD2 4.12Å; L39-L43 HydrophobicContact CD1-CG 3.78Å; L39-L43 HydrophobicContact CG-CD1 3.69Å; L39-L43 HydrophobicContact CG-CG 4.19Å; L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 WeakPolarHBondContact O-CG 2.71Å; L39-L43 PolarHBondContact O-N 2.91Å; Y40-L43 PolarHBondContact O-N 3.26Å; L43-F46 VanDerWaalsContact O-CB 3.31Å; L43-F46 WeakPolarHBondContact O-CB 3.39Å; L43-F46 PolarHBondContact O-N 3.05Å; L43-K53 WeakPolarHBondContact O-CE 3.49Å; L43-L56 HydrophobicContact CD1-CB 4.34Å; L43-L56 HydrophobicContact CD1-CD2 3.26Å; L43-L56 HydrophobicContact CD1-CG 4.41Å; L43-L56 HydrophobicContact CD2-CD2 3.35Å; L43-L56 HydrophobicContact CG-CD2 3.88Å; L43-L60 HydrophobicContact CD1-CD1 4.42Å |
| 44 | Q | 51.4 | Low | 50.5 | Low | 94 Ų | 94 | 81.2 Ų | 81.2 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 174.2 | -73.1 | -79.1 | 28.3 | 0 | 0 | 112 | Y40 Q41 E42 K53 | Y40-Q44 HydrophobicContact CD1-CG 4.23Å; Y40-Q44 HydrophobicContact CE1-CG 4.05Å; Y40-Q44 WeakPolarHBondContact O-CG 3.07Å; Y40-Q44 PolarHBondContact O-N 2.95Å; Q41-Q44 WeakPolarHBondContact O-CB 3.45Å; Q41-Q44 PolarHBondContact O-N 3.07Å; E42-Q44 VanDerWaalsContact C-N 3.26Å; E42-Q44 PolarHBondContact O-N 2.86Å; Q44-K53 PolarHBondContact O-NZ 3.47Å |
| 45 | T | 47.1 | Very low | 50.9 | Low | 108 Ų | 108 | 82.6 Ų | 82.6 | 66% | 0.663 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.4 | -20.9 | 172.3 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | Q41 E42 N47 | Q41-T45 PolarHBondContact O-N 3.41Å; Q41-T45 VanDerWaalsContact O-N 3.16Å; E42-T45 WeakPolarHBondContact CA-OG1 3.42Å; E42-T45 PolarHBondContact O-N 3.45Å; E42-T45 PolarHBondContact O-OG1 3.49Å; T45-N47 PolarHBondContact O-N 3.01Å |
| 46 | F | 48.8 | Very low | 51.4 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 22% | 0.219 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -66.7 | 125.7 | 169.2 | -139.4 | -113.1 | 0 | 0 | 0 | 111 | G3 L6 E42 L43 A48 | G3-F46 VanDerWaalsContact CA-CZ 3.45Å; L6-F46 HydrophobicContact CB-CZ 3.8Å; L6-F46 HydrophobicContact CD1-CE2 3.87Å; L6-F46 HydrophobicContact CD1-CZ 3.79Å; L6-F46 HydrophobicContact CG-CZ 4.37Å; E42-F46 PolarHBondContact O-N 3.25Å; L43-F46 VanDerWaalsContact O-CB 3.31Å; L43-F46 WeakPolarHBondContact O-CB 3.39Å; L43-F46 PolarHBondContact O-N 3.05Å; F46-A48 HydrophobicContact CD1-CB 4.13Å; F46-A48 PolarHBondContact O-N 2.83Å |
| 47 | N | 46.2 | Very low | 52.3 | Low | 172 Ų | 172 | 82.3 Ų | 82.3 | 92% | 0.92 | 42% | 0.423 | S | S | * | . | trans | -76.2 | 54.6 | 177.1 | -158.5 | 20.5 | 0 | 0 | 0 | 111.2 | T45 | T45-N47 PolarHBondContact O-N 3.01Š| ||
| 48 | A | 50.7 | Low | 53 | Low | 24 Ų | 24 | 83.9 Ų | 83.9 | 20% | 0.198 | 43% | 0.43 | C | S | . | . | trans | -87 | 145.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F46 V52 K53 | F46-A48 HydrophobicContact CD1-CB 4.13Å; F46-A48 PolarHBondContact O-N 2.83Å; A48-V52 HydrophobicContact CB-CB 4.18Å; A48-V52 HydrophobicContact CB-CG1 3.83Å; A48-K53 HydrophobicContact CB-CG 4.08Å | ||
| 49 | T | 50.9 | Low | 53.2 | Low | 93 Ų | 93 | 79 Ų | 79 | 57% | 0.571 | 42% | 0.417 | S | S | * | . | trans | -63.3 | 153.5 | 171.6 | 45.7 | 0 | 0 | 0 | 0 | 111 | E51 V52 K53 | T49-E51 PolarHBondContact O-N 3.16Å; T49-V52 WeakPolarHBondContact O-CB 3.43Å; T49-V52 PolarHBondContact O-N 2.77Å; T49-V52 VanDerWaalsContact OG1-CG2 3.27Å; T49-V52 WeakPolarHBondContact OG1-CG2 3.35Å; T49-K53 PolarHBondContact O-N 2.81Å; T49-K53 VanDerWaalsContact O-N 3.11Å | ||
| 50 | A | 59.3 | Low | 53.5 | Low | 78 Ų | 78 | 80.8 Ų | 80.8 | 65% | 0.645 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.1 | -38.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | V52 K53 V54 | A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 3.36Å; A50-K53 PolarHBondContact O-N 3.26Å; A50-V54 WeakPolarHBondContact O-CG2 3.42Å; A50-V54 PolarHBondContact O-N 3.25Å; A50-V54 VanDerWaalsContact O-N 3.11Å |
| 51 | E | 51.2 | Low | 53.9 | Low | 164 Ų | 164 | 84.4 Ų | 84.4 | 77% | 0.766 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 175.7 | -71.1 | 177.1 | 159.3 | 0 | 0 | 112.8 | T49 V54 A55 | T49-E51 PolarHBondContact O-N 3.16Å; E51-V54 PolarHBondContact O-N 3.37Å; E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.07Å |
| 52 | V | 51.7 | Low | 54.3 | Low | 43 Ų | 43 | 82.3 Ų | 82.3 | 26% | 0.261 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 178.2 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L7 A48 T49 A50 A55 L56 | L7-V52 HydrophobicContact CD1-CG1 3.68Å; L7-V52 HydrophobicContact CD2-CG1 3.64Å; L7-V52 HydrophobicContact CG-CG1 4.31Å; A48-V52 HydrophobicContact CB-CB 4.18Å; A48-V52 HydrophobicContact CB-CG1 3.83Å; T49-V52 WeakPolarHBondContact O-CB 3.43Å; T49-V52 PolarHBondContact O-N 2.77Å; T49-V52 VanDerWaalsContact OG1-CG2 3.27Å; T49-V52 WeakPolarHBondContact OG1-CG2 3.35Å; A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 3.36Å; V52-A55 PolarHBondContact O-N 2.77Å; V52-L56 HydrophobicContact CG1-CD1 4.43Å; V52-L56 PolarHBondContact O-N 3.28Å |
| 53 | K | 56.8 | Low | 54.6 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.8 | -68 | -174.3 | 173.1 | -170.4 | 0 | 111.6 | L43 Q44 A48 T49 A50 L56 E57 | L43-K53 WeakPolarHBondContact O-CE 3.49Å; Q44-K53 PolarHBondContact O-NZ 3.47Å; A48-K53 HydrophobicContact CB-CG 4.08Å; T49-K53 PolarHBondContact O-N 2.81Å; T49-K53 VanDerWaalsContact O-N 3.11Å; A50-K53 PolarHBondContact O-N 3.26Å; K53-L56 PolarHBondContact O-N 3.48Å; K53-E57 WeakPolarHBondContact O-CG 3.34Å; K53-E57 PolarHBondContact O-N 2.89Å |
| 54 | V | 61.2 | Low | 54.9 | Low | 70 Ų | 70 | 83.7 Ų | 83.7 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | A50 E51 L56 E57 K58 | A50-V54 WeakPolarHBondContact O-CG2 3.42Å; A50-V54 PolarHBondContact O-N 3.25Å; A50-V54 VanDerWaalsContact O-N 3.11Å; E51-V54 PolarHBondContact O-N 3.37Å; V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 PolarHBondContact O-N 2.95Å; V54-E57 PolarHBondContact O-N 3.45Å; V54-K58 HydrophobicContact CG1-CD 4.37Å; V54-K58 WeakPolarHBondContact O-CG 3.4Å; V54-K58 PolarHBondContact O-N 3.24Å; V54-K58 VanDerWaalsContact O-N 3.15Å |
| 55 | A | 56.7 | Low | 55.3 | Low | 46 Ų | 46 | 83 Ų | 83 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E51 V52 N59 | E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.07Å; V52-A55 PolarHBondContact O-N 2.77Å; A55-N59 PolarHBondContact O-N 3.13Å; A55-N59 PolarHBondContact O-ND2 3.11Å |
| 56 | L | 55.7 | Low | 55.7 | Low | 10 Ų | 10 | 80.3 Ų | 80.3 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.7 | -43.6 | 175.8 | -117.2 | 100.1 | 0 | 0 | 0 | 113.3 | L7 L43 V52 K53 V54 K58 N59 L60 L63 | L7-L56 HydrophobicContact CD1-CD1 3.18Å; L7-L56 HydrophobicContact CD2-CD1 3.98Å; L7-L56 HydrophobicContact CG-CD1 3.63Å; L43-L56 HydrophobicContact CD1-CB 4.34Å; L43-L56 HydrophobicContact CD1-CD2 3.26Å; L43-L56 HydrophobicContact CD1-CG 4.41Å; L43-L56 HydrophobicContact CD2-CD2 3.35Å; L43-L56 HydrophobicContact CG-CD2 3.88Å; V52-L56 HydrophobicContact CG1-CD1 4.43Å; V52-L56 PolarHBondContact O-N 3.28Å; K53-L56 PolarHBondContact O-N 3.48Å; V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 PolarHBondContact O-N 2.95Å; L56-K58 PolarHBondContact O-N 3.19Å; L56-N59 CarbonylContact O-C 3.4Å; L56-N59 PolarHBondContact O-N 3.1Å; L56-L60 WeakPolarHBondContact O-CA 2.95Å; L56-L60 PolarHBondContact O-N 2.85Å; L56-L63 HydrophobicContact CD2-CD2 3.64Å; L56-L63 HydrophobicContact CG-CD2 4.21Å |
| 57 | E | 59.6 | Low | 56.3 | Low | 89 Ų | 89 | 78.3 Ų | 78.3 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.9 | -40.5 | 176.8 | -76.2 | 175.3 | 180 | 0 | 0 | 111.2 | Y40 K53 V54 N59 | Y40-E57 HydrophobicContact CD2-CG 4.41Å; Y40-E57 HydrophobicContact CE2-CG 3.95Å; Y40-E57 WeakPolarHBondContact CE2-OE1 2.95Å; Y40-E57 PolarHBondContact OH-OE1 3.38Å; Y40-E57 VanDerWaalsContact OH-OE1 3.09Å; K53-E57 WeakPolarHBondContact O-CG 3.34Å; K53-E57 PolarHBondContact O-N 2.89Å; V54-E57 PolarHBondContact O-N 3.45Å; E57-N59 VanDerWaalsContact C-N 3.3Å; E57-N59 PolarHBondContact O-N 3.48Å |
| 58 | K | 63 | Low | 56.9 | Low | 163 Ų | 163 | 76.2 Ų | 76.2 | 71% | 0.709 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.1 | -27.2 | 177.3 | -74.7 | 179.2 | 178.1 | -178.8 | 0 | 113.9 | V54 L56 | V54-K58 HydrophobicContact CG1-CD 4.37Å; V54-K58 WeakPolarHBondContact O-CG 3.4Å; V54-K58 PolarHBondContact O-N 3.24Å; V54-K58 VanDerWaalsContact O-N 3.15Å; L56-K58 PolarHBondContact O-N 3.19Å |
| 59 | N | 54.4 | Low | 57.3 | Low | 83 Ų | 83 | 78.9 Ų | 78.9 | 44% | 0.444 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 12.8 | -176.4 | -65 | -58.3 | 0 | 0 | 0 | 112.7 | A55 L56 E57 W61 L62 L63 | A55-N59 PolarHBondContact O-N 3.13Å; A55-N59 PolarHBondContact O-ND2 3.11Å; L56-N59 CarbonylContact O-C 3.4Å; L56-N59 PolarHBondContact O-N 3.1Å; E57-N59 VanDerWaalsContact C-N 3.3Å; E57-N59 PolarHBondContact O-N 3.48Å; N59-W61 PolarHBondContact O-N 2.77Å; N59-L62 PolarHBondContact O-N 2.88Å; N59-L63 PolarHBondContact O-N 3.21Å |
| 60 | L | 58.8 | Low | 57.6 | Low | 46 Ų | 46 | 75.2 Ų | 75.2 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57 | -39.8 | -175.5 | -160.4 | 84 | 0 | 0 | 0 | 112 | L39 L43 L56 L63 E64 | L39-L60 HydrophobicContact CB-CD1 4.45Å; L39-L60 HydrophobicContact CD2-CD1 3.35Å; L39-L60 HydrophobicContact CD2-CG 4.05Å; L39-L60 HydrophobicContact CG-CD1 3.81Å; L43-L60 HydrophobicContact CD1-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CA 2.95Å; L56-L60 PolarHBondContact O-N 2.85Å; L60-L63 WeakPolarHBondContact O-CB 3.49Å; L60-L63 PolarHBondContact O-N 3.32Å; L60-E64 WeakPolarHBondContact O-CG 3.1Å; L60-E64 PolarHBondContact O-N 2.7Å |
| 61 | W | 56.3 | Low | 57.3 | Low | 180 Ų | 180 | 72.9 Ų | 72.9 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 177 | 126.9 | -82.7 | 0 | 0 | 0 | 112.1 | N59 L63 E64 E65 | N59-W61 PolarHBondContact O-N 2.77Å; W61-L63 PolarHBondContact O-N 3.24Å; W61-E64 PolarHBondContact O-N 3.36Å; W61-E65 VanDerWaalsContact CZ2-OE2 3.26Å; W61-E65 WeakPolarHBondContact CZ2-OE2 3.29Å; W61-E65 PolarHBondContact O-N 3.44Å |
| 62 | L | 58.5 | Low | 57.6 | Low | 75 Ų | 75 | 70 Ų | 70 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.1 | -32 | -179.5 | -177.5 | 67 | 0 | 0 | 0 | 110.1 | N59 N66 | N59-L62 PolarHBondContact O-N 2.88Å; L62-N66 VanDerWaalsContact O-CB 3.25Å; L62-N66 WeakPolarHBondContact O-CB 3.42Å; L62-N66 VanDerWaalsContact O-CG 3.26Å; L62-N66 PolarHBondContact O-N 3.37Å |
| 63 | L | 56.3 | Low | 57.9 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 173 | -147.6 | 58.3 | 0 | 0 | 0 | 111.4 | L10 L39 L56 N59 L60 W61 E65 N66 L67 | L10-L63 HydrophobicContact CB-CD1 3.69Å; L10-L63 HydrophobicContact CD2-CD1 3.49Å; L10-L63 VanDerWaalsContact CD2-CD1 3.49Å; L10-L63 HydrophobicContact CD2-CD2 3.28Å; L10-L63 HydrophobicContact CD2-CG 3.5Å; L10-L63 HydrophobicContact CG-CD1 3.31Å; L10-L63 HydrophobicContact CG-CD2 4.08Å; L10-L63 HydrophobicContact CG-CG 3.71Å; L10-L63 VanDerWaalsContact O-CD1 3.31Å; L10-L63 WeakPolarHBondContact O-CD1 3.43Å; L39-L63 HydrophobicContact CD1-CD2 4.37Å; L39-L63 HydrophobicContact CD2-CD2 3.61Å; L39-L63 HydrophobicContact CD2-CG 4.36Å; L39-L63 HydrophobicContact CG-CD2 4.49Å; L56-L63 HydrophobicContact CD2-CD2 3.64Å; L56-L63 HydrophobicContact CG-CD2 4.21Å; N59-L63 PolarHBondContact O-N 3.21Å; L60-L63 WeakPolarHBondContact O-CB 3.49Å; L60-L63 PolarHBondContact O-N 3.32Å; W61-L63 PolarHBondContact O-N 3.24Å; L63-E65 VanDerWaalsContact C-N 3.3Å; L63-E65 PolarHBondContact O-N 2.83Å; L63-N66 PolarHBondContact O-N 3.4Å; L63-L67 HydrophobicContact CG-CD1 4.24Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 VanDerWaalsContact O-CD1 3.29Å; L63-L67 WeakPolarHBondContact O-CD1 3.17Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.98Å |
| 64 | E | 58.2 | Low | 57.8 | Low | 109 Ų | 109 | 74.8 Ų | 74.8 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.2 | -73.9 | 176.2 | 171.9 | 0 | 0 | 111.7 | L60 W61 R68 | L60-E64 WeakPolarHBondContact O-CG 3.1Å; L60-E64 PolarHBondContact O-N 2.7Å; W61-E64 PolarHBondContact O-N 3.36Å; E64-R68 WeakPolarHBondContact O-CB 3.37Å; E64-R68 PolarHBondContact O-N 2.99Å |
| 65 | E | 59.7 | Low | 57.3 | Low | 80 Ų | 80 | 78.8 Ų | 78.8 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.1 | -48.2 | 176.5 | -171.6 | 172.3 | -164.7 | 0 | 0 | 112.2 | W61 L63 L67 R68 N69 | W61-E65 VanDerWaalsContact CZ2-OE2 3.26Å; W61-E65 WeakPolarHBondContact CZ2-OE2 3.29Å; W61-E65 PolarHBondContact O-N 3.44Å; L63-E65 VanDerWaalsContact C-N 3.3Å; L63-E65 PolarHBondContact O-N 2.83Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.43Å; E65-R68 WeakPolarHBondContact O-CB 3.12Å; E65-R68 PolarHBondContact O-N 3.21Å; E65-N69 VanDerWaalsContact O-CG 3.3Å; E65-N69 PolarHBondContact O-N 2.95Å; E65-N69 PolarHBondContact O-ND2 3.45Å |
| 66 | N | 56.7 | Low | 57.2 | Low | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 176.2 | -77.2 | -13.6 | 0 | 0 | 0 | 112 | L62 L63 N69 M70 | L62-N66 VanDerWaalsContact O-CB 3.25Å; L62-N66 WeakPolarHBondContact O-CB 3.42Å; L62-N66 VanDerWaalsContact O-CG 3.26Å; L62-N66 PolarHBondContact O-N 3.37Å; L63-N66 PolarHBondContact O-N 3.4Å; N66-N69 PolarHBondContact O-N 3.33Å; N66-M70 WeakPolarHBondContact O-CB 3.13Å; N66-M70 PolarHBondContact O-N 3.43Å |
| 67 | L | 59.6 | Low | 57.2 | Low | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 175.2 | -75.6 | 166.2 | 0 | 0 | 0 | 111.8 | L10 Y30 V33 L63 E65 N69 M70 L71 | L10-L67 HydrophobicContact CD1-CD2 3.86Å; Y30-L67 HydrophobicContact CD2-CD2 3.56Å; Y30-L67 HydrophobicContact CE2-CD2 3.75Å; V33-L67 HydrophobicContact CG1-CD1 3.68Å; L63-L67 HydrophobicContact CG-CD1 4.24Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 VanDerWaalsContact O-CD1 3.29Å; L63-L67 WeakPolarHBondContact O-CD1 3.17Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.98Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.43Å; L67-N69 VanDerWaalsContact C-N 3.34Å; L67-M70 PolarHBondContact O-N 3.41Å; L67-L71 WeakPolarHBondContact O-CB 3.18Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 2.82Å |
| 68 | R | 59.5 | Low | 56.9 | Low | 127 Ų | 127 | 83.9 Ų | 83.9 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.5 | -177.6 | -178.2 | -64.6 | -84.6 | -1.2 | 111.6 | E64 E65 L71 L72 | E64-R68 WeakPolarHBondContact O-CB 3.37Å; E64-R68 PolarHBondContact O-N 2.99Å; E65-R68 WeakPolarHBondContact O-CB 3.12Å; E65-R68 PolarHBondContact O-N 3.21Å; R68-L71 WeakPolarHBondContact O-CB 3.4Å; R68-L71 PolarHBondContact O-N 2.97Å; R68-L72 WeakPolarHBondContact O-CG 3.29Å; R68-L72 PolarHBondContact O-N 3.47Å |
| 69 | N | 58.9 | Low | 56.3 | Low | 81 Ų | 81 | 77.6 Ų | 77.6 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 179.1 | -67.2 | -22.6 | 0 | 0 | 0 | 111.6 | E65 N66 L67 L71 L72 E73 | E65-N69 VanDerWaalsContact O-CG 3.3Å; E65-N69 PolarHBondContact O-N 2.95Å; E65-N69 PolarHBondContact O-ND2 3.45Å; N66-N69 PolarHBondContact O-N 3.33Å; L67-N69 VanDerWaalsContact C-N 3.34Å; N69-L71 VanDerWaalsContact C-N 3.33Å; N69-L71 PolarHBondContact O-N 3.47Å; N69-L72 WeakPolarHBondContact O-CB 3.31Å; N69-L72 PolarHBondContact O-N 3.01Å; N69-L72 VanDerWaalsContact O-N 3.11Å; N69-E73 PolarHBondContact O-N 3.42Å |
| 70 | M | 57.6 | Low | 56.2 | Low | 15 Ų | 15 | 74.4 Ų | 74.4 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 174.9 | -174 | -176.1 | -72.4 | 0 | 0 | 112.4 | F26 Y30 N66 L67 L72 E73 I76 | F26-M70 HydrophobicContact CE1-SD 4.02Å; F26-M70 HydrophobicContact CZ-CE 4.36Å; F26-M70 HydrophobicContact CZ-SD 3.53Å; F26-M70 VanDerWaalsContact CZ-SD 3.53Å; Y30-M70 HydrophobicContact CE2-SD 4.37Å; N66-M70 WeakPolarHBondContact O-CB 3.13Å; N66-M70 PolarHBondContact O-N 3.43Å; L67-M70 PolarHBondContact O-N 3.41Å; M70-L72 PolarHBondContact O-N 3.35Å; M70-E73 WeakPolarHBondContact O-CB 3.04Å; M70-E73 PolarHBondContact O-N 2.77Å; M70-E73 VanDerWaalsContact O-N 3.1Å; M70-I76 HydrophobicContact CG-CD1 3.21Å; M70-I76 HydrophobicContact SD-CD1 4.03Å |
| 71 | L | 53.4 | Low | 55.9 | Low | 29 Ų | 29 | 76.7 Ų | 76.7 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -29.2 | 172.2 | -86.9 | 162.9 | 0 | 0 | 0 | 114 | Y30 L34 L67 R68 N69 I102 | Y30-L71 HydrophobicContact CE1-CD2 3.54Å; Y30-L71 HydrophobicContact CE1-CG 4.13Å; Y30-L71 HydrophobicContact CE2-CG 4.2Å; Y30-L71 VanDerWaalsContact CZ-CD2 3.4Å; Y30-L71 VanDerWaalsContact CZ-CG 3.48Å; Y30-L71 VanDerWaalsContact OH-CA 3.29Å; Y30-L71 WeakPolarHBondContact OH-CA 3.41Å; Y30-L71 WeakPolarHBondContact OH-CD2 3.44Å; Y30-L71 WeakPolarHBondContact OH-CG 3.45Å; Y30-L71 PolarHBondContact OH-N 3.12Å; L34-L71 HydrophobicContact CD1-CD1 3.89Å; L34-L71 HydrophobicContact CD1-CD2 3.83Å; L34-L71 HydrophobicContact CD1-CG 4.3Å; L34-L71 HydrophobicContact CD2-CD1 3.4Å; L34-L71 VanDerWaalsContact CD2-CD1 3.4Å; L34-L71 HydrophobicContact CG-CD1 4.21Å; L67-L71 WeakPolarHBondContact O-CB 3.18Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 2.82Å; R68-L71 WeakPolarHBondContact O-CB 3.4Å; R68-L71 PolarHBondContact O-N 2.97Å; N69-L71 VanDerWaalsContact C-N 3.33Å; N69-L71 PolarHBondContact O-N 3.47Å; L71-I102 HydrophobicContact CD2-CD1 3.48Å; L71-I102 VanDerWaalsContact CD2-CD1 3.48Å; L71-I102 HydrophobicContact CD2-CG1 3.95Å |
| 72 | L | 57.2 | Low | 55.6 | Low | 104 Ų | 104 | 70.9 Ų | 70.9 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.4 | 178.3 | -64.3 | 170.7 | 0 | 0 | 0 | 111.6 | R68 N69 M70 P74 L106 | R68-L72 WeakPolarHBondContact O-CG 3.29Å; R68-L72 PolarHBondContact O-N 3.47Å; N69-L72 WeakPolarHBondContact O-CB 3.31Å; N69-L72 PolarHBondContact O-N 3.01Å; N69-L72 VanDerWaalsContact O-N 3.11Å; M70-L72 PolarHBondContact O-N 3.35Å; L72-P74 WeakPolarHBondContact O-CD 3.47Å; L72-L106 HydrophobicContact CD2-CD2 3.84Å |
| 73 | E | 58.7 | Low | 55.1 | Low | 102 Ų | 102 | 69 Ų | 69 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | trans | -72.3 | 120.7 | 176.4 | -68.2 | -159.8 | 177 | 0 | 0 | 111.3 | N69 M70 Q75 I76 K77 | N69-E73 PolarHBondContact O-N 3.42Å; M70-E73 WeakPolarHBondContact O-CB 3.04Å; M70-E73 PolarHBondContact O-N 2.77Å; M70-E73 VanDerWaalsContact O-N 3.1Å; E73-Q75 VanDerWaalsContact C-N 3.25Å; E73-Q75 PolarHBondContact O-N 3.11Å; E73-I76 HydrophobicContact CB-CB 4.46Å; E73-I76 HydrophobicContact CB-CD1 4.33Å; E73-I76 HydrophobicContact CB-CG1 4.33Å; E73-I76 PolarHBondContact O-N 3.45Å; E73-I76 VanDerWaalsContact O-N 3.1Å; E73-K77 PolarHBondContact O-N 3.1Å; E73-K77 VanDerWaalsContact O-N 3.13Å | ||
| 74 | P | 53.2 | Low | 54.5 | Low | 94 Ų | 94 | 71.1 Ų | 71.1 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.3 | -35.6 | -175.1 | -25 | 33.2 | 0 | 0 | 0 | 113.7 | L72 I76 K77 E78 | L72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-I76 VanDerWaalsContact C-N 3.31Å; P74-I76 PolarHBondContact O-N 2.84Å; P74-K77 PolarHBondContact O-N 3.49Å; P74-E78 WeakPolarHBondContact O-CB 3.36Å; P74-E78 WeakPolarHBondContact O-CG 3.35Å; P74-E78 PolarHBondContact O-N 3.47Å |
| 75 | Q | 52.3 | Low | 53.6 | Low | 154 Ų | 154 | 74.7 Ų | 74.7 | 72% | 0.72 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67 | -33.9 | -178.8 | -63 | -179.7 | 10.9 | 0 | 0 | 112.1 | E73 A79 | E73-Q75 VanDerWaalsContact C-N 3.25Å; E73-Q75 PolarHBondContact O-N 3.11Å; Q75-A79 VanDerWaalsContact O-CB 3.31Å; Q75-A79 WeakPolarHBondContact O-CB 3.41Å; Q75-A79 PolarHBondContact O-N 2.87Å |
| 76 | I | 54 | Low | 52.7 | Low | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -76.4 | -41.2 | 177.7 | -65.4 | -176.7 | 0 | 0 | 0 | 109.9 | F17 F27 M70 E73 P74 E78 A79 M80 | F17-I76 HydrophobicContact CE2-CD1 3.96Å; F17-I76 HydrophobicContact CE2-CG1 4.24Å; F27-I76 HydrophobicContact CE1-CG2 3.92Å; F27-I76 HydrophobicContact CZ-CG2 4.19Å; M70-I76 HydrophobicContact CG-CD1 3.21Å; M70-I76 HydrophobicContact SD-CD1 4.03Å; E73-I76 HydrophobicContact CB-CB 4.46Å; E73-I76 HydrophobicContact CB-CD1 4.33Å; E73-I76 HydrophobicContact CB-CG1 4.33Å; E73-I76 PolarHBondContact O-N 3.45Å; E73-I76 VanDerWaalsContact O-N 3.1Å; P74-I76 VanDerWaalsContact C-N 3.31Å; P74-I76 PolarHBondContact O-N 2.84Å; I76-E78 VanDerWaalsContact C-N 3.34Å; I76-E78 PolarHBondContact O-N 3.37Å; I76-A79 PolarHBondContact O-N 2.81Å; I76-M80 WeakPolarHBondContact O-CG 3.47Å; I76-M80 PolarHBondContact O-N 3.09Å |
| 77 | K | 54.5 | Low | 52.2 | Low | 112 Ų | 112 | 75.2 Ų | 75.2 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 172.8 | -170.9 | 174.6 | -179.4 | 176.4 | 0 | 111.5 | E73 P74 M80 I81 | E73-K77 PolarHBondContact O-N 3.1Å; E73-K77 VanDerWaalsContact O-N 3.13Å; P74-K77 PolarHBondContact O-N 3.49Å; K77-M80 PolarHBondContact O-N 3Å; K77-I81 HydrophobicContact CG-CD1 4.2Å; K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.33Å; K77-I81 PolarHBondContact O-N 3.43Å |
| 78 | E | 53.8 | Low | 51.3 | Low | 133 Ų | 133 | 79.6 Ų | 79.6 | 62% | 0.621 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 174.6 | -81.1 | -178.7 | 172.9 | 0 | 0 | 112.3 | P74 I76 M80 I81 A82 | P74-E78 WeakPolarHBondContact O-CB 3.36Å; P74-E78 WeakPolarHBondContact O-CG 3.35Å; P74-E78 PolarHBondContact O-N 3.47Å; I76-E78 VanDerWaalsContact C-N 3.34Å; I76-E78 PolarHBondContact O-N 3.37Å; E78-M80 VanDerWaalsContact C-N 3.31Å; E78-M80 PolarHBondContact O-N 3.28Å; E78-I81 PolarHBondContact O-N 2.89Å; E78-A82 VanDerWaalsContact O-CB 3.29Å; E78-A82 WeakPolarHBondContact O-CB 3.2Å; E78-A82 PolarHBondContact O-N 3.26Å |
| 79 | A | 51.6 | Low | 50.5 | Low | 31 Ų | 31 | 80.8 Ų | 80.8 | 26% | 0.256 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F27 Q75 I76 S83 | F27-A79 HydrophobicContact CZ-CB 4.31Å; Q75-A79 VanDerWaalsContact O-CB 3.31Å; Q75-A79 WeakPolarHBondContact O-CB 3.41Å; Q75-A79 PolarHBondContact O-N 2.87Å; I76-A79 PolarHBondContact O-N 2.81Å; A79-S83 WeakPolarHBondContact O-CB 3.03Å; A79-S83 PolarHBondContact O-N 2.97Å |
| 80 | M | 52.1 | Low | 49.7 | Very low | 15 Ų | 15 | 80.5 Ų | 80.5 | 7% | 0.074 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 173.1 | -74.9 | 179.5 | 66 | 0 | 0 | 112 | F27 Y30 I76 K77 E78 S83 Q84 I98 L99 I102 | F27-M80 HydrophobicContact CD1-CG 3.75Å; F27-M80 HydrophobicContact CD1-SD 4.21Å; F27-M80 HydrophobicContact CE1-CG 3.2Å; F27-M80 HydrophobicContact CE1-SD 3.83Å; F27-M80 HydrophobicContact CE2-CG 4.46Å; F27-M80 HydrophobicContact CZ-CG 3.63Å; Y30-M80 HydrophobicContact CE1-SD 3.96Å; I76-M80 WeakPolarHBondContact O-CG 3.47Å; I76-M80 PolarHBondContact O-N 3.09Å; K77-M80 PolarHBondContact O-N 3Å; E78-M80 VanDerWaalsContact C-N 3.31Å; E78-M80 PolarHBondContact O-N 3.28Å; M80-S83 WeakPolarHBondContact O-CB 3.45Å; M80-S83 PolarHBondContact O-N 2.82Å; M80-Q84 PolarHBondContact O-N 2.87Å; M80-Q84 VanDerWaalsContact O-N 3.15Å; M80-I98 HydrophobicContact CE-CG2 4.02Å; M80-L99 HydrophobicContact CE-CD2 4.19Å; M80-I102 HydrophobicContact CE-CD1 4.06Å |
| 81 | I | 51.2 | Low | 49.2 | Very low | 95 Ų | 95 | 86.8 Ų | 86.8 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 177.4 | -66.1 | 165.7 | 0 | 0 | 0 | 110.5 | K77 E78 S83 Q84 E85 | K77-I81 HydrophobicContact CG-CD1 4.2Å; K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.33Å; K77-I81 PolarHBondContact O-N 3.43Å; E78-I81 PolarHBondContact O-N 2.89Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.4Å; I81-Q84 WeakPolarHBondContact O-CA 3.37Å; I81-Q84 WeakPolarHBondContact O-CB 3.18Å; I81-Q84 PolarHBondContact O-N 3.43Å; I81-E85 PolarHBondContact O-N 2.89Å |
| 82 | A | 50.5 | Low | 48.7 | Very low | 58 Ų | 58 | 87.7 Ų | 87.7 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.6 | -32.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E78 Q84 E85 S86 | E78-A82 VanDerWaalsContact O-CB 3.29Å; E78-A82 WeakPolarHBondContact O-CB 3.2Å; E78-A82 PolarHBondContact O-N 3.26Å; A82-Q84 PolarHBondContact O-N 3.35Å; A82-E85 PolarHBondContact O-N 3.01Å; A82-E85 VanDerWaalsContact O-N 3.14Å; A82-S86 PolarHBondContact O-N 3.41Å |
| 83 | S | 47.4 | Very low | 48 | Very low | 34 Ų | 34 | 88 Ų | 88 | 24% | 0.238 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.1 | -21.8 | 169.5 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | A79 M80 I81 S86 | A79-S83 WeakPolarHBondContact O-CB 3.03Å; A79-S83 PolarHBondContact O-N 2.97Å; M80-S83 WeakPolarHBondContact O-CB 3.45Å; M80-S83 PolarHBondContact O-N 2.82Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.4Å; S83-S86 PolarHBondContact O-OG 3.41Å |
| 84 | Q | 44.4 | Very low | 47.6 | Very low | 52 Ų | 52 | 87.2 Ų | 87.2 | 24% | 0.243 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -70.3 | -34.4 | 171.1 | -161.4 | 102.9 | -31.2 | 0 | 0 | 111.1 | M80 I81 A82 S86 Q87 | M80-Q84 PolarHBondContact O-N 2.87Å; M80-Q84 VanDerWaalsContact O-N 3.15Å; I81-Q84 WeakPolarHBondContact O-CA 3.37Å; I81-Q84 WeakPolarHBondContact O-CB 3.18Å; I81-Q84 PolarHBondContact O-N 3.43Å; A82-Q84 PolarHBondContact O-N 3.35Å; Q84-S86 VanDerWaalsContact C-N 3.3Å; Q84-S86 PolarHBondContact O-N 3.2Å; Q84-Q87 VanDerWaalsContact CG-NE2 3.29Å; Q84-Q87 VanDerWaalsContact O-CB 3.31Å; Q84-Q87 WeakPolarHBondContact O-CB 3.49Å; Q84-Q87 WeakPolarHBondContact O-CG 3.25Å; Q84-Q87 PolarHBondContact O-N 3.2Å |
| 85 | E | 38.7 | Very low | 47.3 | Very low | 185 Ų | 185 | 83.5 Ų | 83.5 | 86% | 0.864 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -75.5 | -14.6 | 177.3 | -89.7 | -171.6 | 154.9 | 0 | 0 | 113.6 | I81 A82 | I81-E85 PolarHBondContact O-N 2.89Å; A82-E85 PolarHBondContact O-N 3.01Å; A82-E85 VanDerWaalsContact O-N 3.14Å |
| 86 | S | 41.7 | Very low | 47.2 | Very low | 87 Ų | 87 | 82.6 Ų | 82.6 | 61% | 0.608 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 10.9 | 174.8 | 71.2 | 0 | 0 | 0 | 0 | 114.3 | A82 S83 Q84 S88 | A82-S86 PolarHBondContact O-N 3.41Å; S83-S86 PolarHBondContact O-OG 3.41Å; Q84-S86 VanDerWaalsContact C-N 3.3Å; Q84-S86 PolarHBondContact O-N 3.2Å; S86-S88 PolarHBondContact O-N 3.48Å |
| 87 | Q | 45.9 | Very low | 46.9 | Very low | 54 Ų | 54 | 86.1 Ų | 86.1 | 25% | 0.252 | 46% | 0.458 | S | S | . | . | trans | -68.2 | 79.3 | -175.7 | -75.6 | 176.4 | 2.8 | 0 | 0 | 115 | Q84 I95 | Q84-Q87 VanDerWaalsContact CG-NE2 3.29Å; Q84-Q87 VanDerWaalsContact O-CB 3.31Å; Q84-Q87 WeakPolarHBondContact O-CB 3.49Å; Q84-Q87 WeakPolarHBondContact O-CG 3.25Å; Q84-Q87 PolarHBondContact O-N 3.2Å; Q87-I95 HydrophobicContact CG-CD1 4.46Å | ||
| 88 | S | 41.3 | Very low | 46.6 | Very low | 102 Ų | 102 | 81.4 Ų | 81.4 | 71% | 0.713 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -108.9 | -9.2 | 150.6 | 67.5 | 0 | 0 | 0 | 0 | 114 | S86 | S86-S88 PolarHBondContact O-N 3.48Š|
| 89 | N | 42.7 | Very low | 46.5 | Very low | 151 Ų | 151 | 77.7 Ų | 77.7 | 81% | 0.807 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -129.2 | 7.1 | -170.7 | -74 | -35.1 | 0 | 0 | 0 | 115.8 | ||
| 90 | Y | 41.4 | Very low | 46.4 | Very low | 75 Ų | 75 | 81 Ų | 81 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -120.5 | 131 | 175.4 | -113.5 | -107.3 | 0 | 0 | 0 | 109.9 | V24 N28 V92 I95 | V24-Y90 HydrophobicContact CG1-CD2 4.23Å; V24-Y90 HydrophobicContact CG1-CE2 3.3Å; V24-Y90 WeakPolarHBondContact CG1-OH 3.31Å; N28-Y90 PolarHBondContact ND2-OH 3.26Å; N28-Y90 WeakPolarHBondContact OD1-CE1 3.36Å; N28-Y90 VanDerWaalsContact OD1-CZ 3.3Å; N28-Y90 PolarHBondContact OD1-OH 2.94Å; Y90-V92 VanDerWaalsContact C-N 3.35Å; Y90-V92 PolarHBondContact O-N 3.31Å; Y90-I95 HydrophobicContact CD1-CD1 4.24Å; Y90-I95 HydrophobicContact CD1-CG1 4.41Å |
| 91 | E | 46.4 | Very low | 46.1 | Very low | 148 Ų | 148 | 84.8 Ų | 84.8 | 69% | 0.692 | 45% | 0.45 | S | S | * | . | trans | -56.8 | 102.7 | 171.2 | -74.5 | -174 | 163 | 0 | 0 | 108.1 | D93 N94 | E91-D93 PolarHBondContact O-N 3Å; E91-N94 PolarHBondContact O-N 3.42Å | ||
| 92 | V | 43.7 | Very low | 45.9 | Very low | 47 Ų | 47 | 81.4 Ų | 81.4 | 29% | 0.285 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -48 | -26.2 | -176.9 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | Y90 R96 | Y90-V92 VanDerWaalsContact C-N 3.35Å; Y90-V92 PolarHBondContact O-N 3.31Å; V92-R96 PolarHBondContact O-N 2.77Å |
| 93 | D | 42.9 | Very low | 45.9 | Very low | 112 Ų | 112 | 81 Ų | 81 | 60% | 0.599 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.6 | -35.8 | 178.8 | -66.7 | -29 | 0 | 0 | 0 | 113.4 | E91 R96 S97 | E91-D93 PolarHBondContact O-N 3Å; D93-R96 IonicContact OD1-NH1 3.77Å; D93-S97 WeakPolarHBondContact O-CB 3.43Å; D93-S97 PolarHBondContact O-N 3.2Å; D93-S97 VanDerWaalsContact O-N 3.07Å; D93-S97 PolarHBondContact O-OG 3.24Å |
| 94 | N | 49.6 | Very low | 45.9 | Very low | 85 Ų | 85 | 88.8 Ų | 88.8 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 178.4 | -85.5 | -17.6 | 0 | 0 | 0 | 111.6 | E91 S97 I98 | E91-N94 PolarHBondContact O-N 3.42Å; N94-S97 PolarHBondContact O-N 2.92Å; N94-I98 VanDerWaalsContact O-CD1 3.22Å; N94-I98 WeakPolarHBondContact O-CD1 3.49Å; N94-I98 WeakPolarHBondContact O-CG1 3.42Å; N94-I98 PolarHBondContact O-N 2.82Å |
| 95 | I | 47.1 | Very low | 45.9 | Very low | 15 Ų | 15 | 89.5 Ų | 89.5 | 8% | 0.077 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.9 | -40.4 | -177.8 | -53.9 | 170.8 | 0 | 0 | 0 | 111 | Q87 Y90 S97 I98 L99 | Q87-I95 HydrophobicContact CG-CD1 4.46Å; Y90-I95 HydrophobicContact CD1-CD1 4.24Å; Y90-I95 HydrophobicContact CD1-CG1 4.41Å; I95-S97 VanDerWaalsContact C-N 3.35Å; I95-S97 PolarHBondContact O-N 3.42Å; I95-I98 PolarHBondContact O-N 3.31Å; I95-L99 HydrophobicContact CG2-CD1 4.27Å; I95-L99 HydrophobicContact CG2-CG 4.49Å; I95-L99 WeakPolarHBondContact O-CG 3.26Å; I95-L99 PolarHBondContact O-N 2.72Å |
| 96 | R | 49.9 | Very low | 46 | Very low | 136 Ų | 136 | 84.7 Ų | 84.7 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.9 | -163.9 | 177.6 | -74.7 | 118.3 | -3.5 | 111.6 | V92 D93 I98 L99 D100 | V92-R96 PolarHBondContact O-N 2.77Å; D93-R96 IonicContact OD1-NH1 3.77Å; R96-I98 VanDerWaalsContact C-N 3.33Å; R96-I98 PolarHBondContact O-N 3.47Å; R96-L99 PolarHBondContact O-N 3.23Å; R96-D100 WeakPolarHBondContact O-CB 3.45Å; R96-D100 PolarHBondContact O-N 3.11Å |
| 97 | S | 48 | Very low | 45.9 | Very low | 82 Ų | 82 | 84 Ų | 84 | 57% | 0.573 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.5 | -33.9 | 175.5 | -80.5 | 0 | 0 | 0 | 0 | 114 | D93 N94 I95 Y101 | D93-S97 WeakPolarHBondContact O-CB 3.43Å; D93-S97 PolarHBondContact O-N 3.2Å; D93-S97 VanDerWaalsContact O-N 3.07Å; D93-S97 PolarHBondContact O-OG 3.24Å; N94-S97 PolarHBondContact O-N 2.92Å; I95-S97 VanDerWaalsContact C-N 3.35Å; I95-S97 PolarHBondContact O-N 3.42Å; S97-Y101 WeakPolarHBondContact O-CB 3.43Å; S97-Y101 PolarHBondContact O-N 2.99Å; S97-Y101 VanDerWaalsContact O-N 3.12Å |
| 98 | I | 48.1 | Very low | 45.8 | Very low | 13 Ų | 13 | 90.9 Ų | 90.9 | 7% | 0.067 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.2 | -45.3 | 176.4 | -60.6 | 153.6 | 0 | 0 | 0 | 110.6 | A31 L34 M80 N94 I95 R96 D100 Y101 I102 | A31-I98 HydrophobicContact CB-CD1 3.04Å; A31-I98 HydrophobicContact CB-CG1 3.68Å; L34-I98 HydrophobicContact CB-CG2 4.4Å; L34-I98 HydrophobicContact CD1-CG2 3.98Å; M80-I98 HydrophobicContact CE-CG2 4.02Å; N94-I98 VanDerWaalsContact O-CD1 3.22Å; N94-I98 WeakPolarHBondContact O-CD1 3.49Å; N94-I98 WeakPolarHBondContact O-CG1 3.42Å; N94-I98 PolarHBondContact O-N 2.82Å; I95-I98 PolarHBondContact O-N 3.31Å; R96-I98 VanDerWaalsContact C-N 3.33Å; R96-I98 PolarHBondContact O-N 3.47Å; I98-D100 VanDerWaalsContact C-N 3.32Å; I98-D100 PolarHBondContact O-N 3.44Å; I98-Y101 PolarHBondContact O-N 3.15Å; I98-I102 HydrophobicContact CG2-CD1 3.76Å; I98-I102 HydrophobicContact CG2-CG1 4.43Å; I98-I102 VanDerWaalsContact O-CG1 3.28Å; I98-I102 WeakPolarHBondContact O-CG1 3.27Å; I98-I102 PolarHBondContact O-N 2.97Å |
| 99 | L | 52 | Low | 46 | Very low | 55 Ų | 55 | 90.4 Ų | 90.4 | 29% | 0.288 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 179.1 | -70.2 | 172.1 | 0 | 0 | 0 | 111.3 | M80 I95 R96 Y101 I102 S103 | M80-L99 HydrophobicContact CE-CD2 4.19Å; I95-L99 HydrophobicContact CG2-CD1 4.27Å; I95-L99 HydrophobicContact CG2-CG 4.49Å; I95-L99 WeakPolarHBondContact O-CG 3.26Å; I95-L99 PolarHBondContact O-N 2.72Å; R96-L99 PolarHBondContact O-N 3.23Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 3.49Å; L99-I102 PolarHBondContact O-N 3.24Å; L99-S103 PolarHBondContact O-N 3.31Å; L99-S103 PolarHBondContact O-OG 2.81Å |
| 100 | D | 50.2 | Low | 46.1 | Very low | 101 Ų | 101 | 87.2 Ų | 87.2 | 54% | 0.54 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 177.8 | -152.1 | 55.8 | 0 | 0 | 0 | 111.8 | R96 I98 R104 | R96-D100 WeakPolarHBondContact O-CB 3.45Å; R96-D100 PolarHBondContact O-N 3.11Å; I98-D100 VanDerWaalsContact C-N 3.32Å; I98-D100 PolarHBondContact O-N 3.44Å; D100-R104 VanDerWaalsContact O-CG 3.25Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.06Å; D100-R104 VanDerWaalsContact O-N 3.16Å |
| 101 | Y | 46 | Very low | 46.4 | Very low | 93 Ų | 93 | 87.8 Ų | 87.8 | 37% | 0.365 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 173.7 | -176.5 | -96.9 | 0 | 0 | 0 | 112.6 | L34 S97 I98 L99 R104 L105 | L34-Y101 HydrophobicContact CB-CD1 4.16Å; L34-Y101 HydrophobicContact CB-CE1 4.38Å; L34-Y101 HydrophobicContact CD2-CD1 4.36Å; L34-Y101 HydrophobicContact CD2-CE1 4.22Å; L34-Y101 WeakPolarHBondContact O-CD1 3.08Å; L34-Y101 WeakPolarHBondContact O-CE1 3.48Å; S97-Y101 WeakPolarHBondContact O-CB 3.43Å; S97-Y101 PolarHBondContact O-N 2.99Å; S97-Y101 VanDerWaalsContact O-N 3.12Å; I98-Y101 PolarHBondContact O-N 3.15Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 3.49Å; Y101-R104 PolarHBondContact O-N 3.48Å; Y101-L105 HydrophobicContact CD1-CD1 3.7Å; Y101-L105 HydrophobicContact CE1-CD1 3.13Å; Y101-L105 HydrophobicContact CE1-CG 4.21Å; Y101-L105 PolarHBondContact O-N 3.44Å; Y101-L105 VanDerWaalsContact O-N 3.11Å |
| 102 | I | 46.5 | Very low | 46.4 | Very low | 24 Ų | 24 | 84.3 Ų | 84.3 | 12% | 0.123 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 176.2 | -68 | 162.3 | 0 | 0 | 0 | 110.6 | L34 L71 M80 I98 L99 R104 L105 L106 | L34-I102 HydrophobicContact CD1-CD1 4.23Å; L34-I102 HydrophobicContact CD1-CG1 4.38Å; L71-I102 HydrophobicContact CD2-CD1 3.48Å; L71-I102 VanDerWaalsContact CD2-CD1 3.48Å; L71-I102 HydrophobicContact CD2-CG1 3.95Å; M80-I102 HydrophobicContact CE-CD1 4.06Å; I98-I102 HydrophobicContact CG2-CD1 3.76Å; I98-I102 HydrophobicContact CG2-CG1 4.43Å; I98-I102 VanDerWaalsContact O-CG1 3.28Å; I98-I102 WeakPolarHBondContact O-CG1 3.27Å; I98-I102 PolarHBondContact O-N 2.97Å; L99-I102 PolarHBondContact O-N 3.24Å; I102-R104 VanDerWaalsContact C-N 3.32Å; I102-R104 PolarHBondContact O-N 3.22Å; I102-L105 WeakPolarHBondContact O-CB 3.2Å; I102-L105 PolarHBondContact O-N 3.05Å; I102-L105 VanDerWaalsContact O-N 3.1Å; I102-L106 HydrophobicContact CG2-CD1 3.7Å; I102-L106 HydrophobicContact CG2-CG 4.28Å; I102-L106 WeakPolarHBondContact O-CG 3.23Å; I102-L106 PolarHBondContact O-N 3.32Å |
| 103 | S | 48.9 | Very low | 46.6 | Very low | 49 Ų | 49 | 86.6 Ų | 86.6 | 34% | 0.343 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.4 | -45.9 | 177.5 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | L99 L105 L106 G107 E108 | L99-S103 PolarHBondContact O-N 3.31Å; L99-S103 PolarHBondContact O-OG 2.81Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 2.88Å; S103-L106 PolarHBondContact O-N 3.02Å; S103-L106 VanDerWaalsContact O-N 3.16Å; S103-G107 PolarHBondContact O-N 3.11Å; S103-E108 PolarHBondContact O-N 3.01Å |
| 104 | R | 49.1 | Very low | 46.8 | Very low | 198 Ų | 198 | 84.9 Ų | 84.9 | 75% | 0.747 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.8 | -30.5 | 177.5 | -67.1 | 172.7 | 83.2 | 179.5 | 6.8 | 113.6 | D100 Y101 I102 | D100-R104 VanDerWaalsContact O-CG 3.25Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.06Å; D100-R104 VanDerWaalsContact O-N 3.16Å; Y101-R104 PolarHBondContact O-N 3.48Å; I102-R104 VanDerWaalsContact C-N 3.32Å; I102-R104 PolarHBondContact O-N 3.22Å |
| 105 | L | 42.8 | Very low | 46.6 | Very low | 68 Ų | 68 | 84.9 Ų | 84.9 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -75 | -31.6 | 175.2 | -99.9 | 165.4 | 0 | 0 | 0 | 113.1 | Y101 I102 S103 G107 | Y101-L105 HydrophobicContact CD1-CD1 3.7Å; Y101-L105 HydrophobicContact CE1-CD1 3.13Å; Y101-L105 HydrophobicContact CE1-CG 4.21Å; Y101-L105 PolarHBondContact O-N 3.44Å; Y101-L105 VanDerWaalsContact O-N 3.11Å; I102-L105 WeakPolarHBondContact O-CB 3.2Å; I102-L105 PolarHBondContact O-N 3.05Å; I102-L105 VanDerWaalsContact O-N 3.1Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 2.88Å; L105-G107 VanDerWaalsContact C-N 3.34Å |
| 106 | L | 40.7 | Very low | 46.6 | Very low | 84 Ų | 84 | 90.3 Ų | 90.3 | 44% | 0.44 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -84.1 | -12.2 | 178.6 | -65.4 | 175.1 | 0 | 0 | 0 | 112.6 | L72 I102 S103 E108 | L72-L106 HydrophobicContact CD2-CD2 3.84Å; I102-L106 HydrophobicContact CG2-CD1 3.7Å; I102-L106 HydrophobicContact CG2-CG 4.28Å; I102-L106 WeakPolarHBondContact O-CG 3.23Å; I102-L106 PolarHBondContact O-N 3.32Å; S103-L106 PolarHBondContact O-N 3.02Å; S103-L106 VanDerWaalsContact O-N 3.16Å; L106-E108 VanDerWaalsContact C-N 3.31Å |
| 107 | G | 40.1 | Very low | 46.3 | Very low | 71 Ų | 71 | 86.5 Ų | 86.5 | 73% | 0.732 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 21 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S103 L105 | S103-G107 PolarHBondContact O-N 3.11Å; L105-G107 VanDerWaalsContact C-N 3.34Å |
| 108 | E | 43.3 | Very low | 46.2 | Very low | 200 Ų | 200 | 86.9 Ų | 86.9 | 94% | 0.935 | 45% | 0.449 | S | S | * | . | trans | -92.9 | 0 | 171.3 | -68.2 | -169.6 | 163.7 | 0 | 0 | 111.6 | S103 L106 | S103-E108 PolarHBondContact O-N 3.01Å; L106-E108 VanDerWaalsContact C-N 3.31Å |
Retrieved 108 of 108 residues in 141.2 ms
(Link to these results)