| 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 | 50.1 | Low | 53.5 | Low | 243 Ų | 243 | 141.4 Ų | 141.4 | 100% | 1.197 | 66% | 0.658 | S | S | * | * | 0 | 118.1 | 0 | -79.7 | 168.9 | 169.3 | 0 | 0 | 107.9 | |||||
| 2 | R | 56.8 | Low | 53 | Low | 187 Ų | 187 | 139.7 Ų | 139.7 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -88.7 | 144.5 | -149.3 | -124.9 | 165.3 | -173.1 | 153.6 | 0.5 | 109.4 | R4 D5 | R2-R4 HydrophobicContact CB-CB 4.48Å; R2-R4 PolarHBondContact O-N 2.8Å; R2-D5 PolarHBondContact N-OD2 2.88Å; R2-D5 WeakPolarHBondContact O-CB 3.45Å; R2-D5 PolarHBondContact O-N 2.9Å | ||
| 3 | L | 56.8 | Low | 53.4 | Low | 133 Ų | 133 | 132.7 Ų | 132.7 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -46.3 | -30.9 | 175.9 | -144.9 | 88.9 | 0 | 0 | 0 | 113.2 | D5 R6 I7 | L3-D5 VanDerWaalsContact C-N 3.35Å; L3-D5 PolarHBondContact O-N 2.61Å; L3-R6 WeakPolarHBondContact O-CB 3.28Å; L3-R6 PolarHBondContact O-N 3.25Å; L3-I7 HydrophobicContact CD2-CD1 4.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.34Å; L3-I7 PolarHBondContact O-N 3.45Å |
| 4 | R | 55.6 | Low | 53.6 | Low | 177 Ų | 177 | 137.3 Ų | 137.3 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.7 | -37.5 | 174.2 | -159 | 176.2 | 71.5 | -173.4 | 6.7 | 114 | R2 I7 A8 | R2-R4 HydrophobicContact CB-CB 4.48Å; R2-R4 PolarHBondContact O-N 2.8Å; R4-I7 PolarHBondContact O-N 2.91Å; R4-A8 VanDerWaalsContact O-CB 3.29Å; R4-A8 WeakPolarHBondContact O-CB 3.29Å; R4-A8 PolarHBondContact O-N 3.49Å |
| 5 | D | 53.7 | Low | 54 | Low | 82 Ų | 82 | 128.9 Ų | 128.9 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72 | -34.7 | 177.2 | -56.3 | -41 | 0 | 0 | 0 | 110.2 | R2 L3 T9 | R2-D5 PolarHBondContact N-OD2 2.88Å; R2-D5 WeakPolarHBondContact O-CB 3.45Å; R2-D5 PolarHBondContact O-N 2.9Å; L3-D5 VanDerWaalsContact C-N 3.35Å; L3-D5 PolarHBondContact O-N 2.61Å; D5-T9 WeakPolarHBondContact O-CB 3.33Å; D5-T9 PolarHBondContact O-N 2.94Å; D5-T9 PolarHBondContact O-OG1 3.32Å |
| 6 | R | 56.2 | Low | 54.8 | Low | 202 Ų | 202 | 124.3 Ų | 124.3 | 76% | 0.762 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.7 | -42.8 | 172.8 | -103.1 | -177.2 | -161.6 | 170.2 | 5.6 | 112.4 | L3 T9 F10 | L3-R6 WeakPolarHBondContact O-CB 3.28Å; L3-R6 PolarHBondContact O-N 3.25Å; R6-T9 PolarHBondContact O-N 3.18Å; R6-F10 WeakPolarHBondContact O-CB 3.42Å; R6-F10 PolarHBondContact O-N 3.31Å |
| 7 | I | 53.8 | Low | 56.2 | Low | 87 Ų | 87 | 123.2 Ų | 123.2 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -43.8 | 176.4 | -64.3 | 164.3 | 0 | 0 | 0 | 109.8 | L3 R4 T9 F10 F11 | L3-I7 HydrophobicContact CD2-CD1 4.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.34Å; L3-I7 PolarHBondContact O-N 3.45Å; R4-I7 PolarHBondContact O-N 2.91Å; I7-T9 VanDerWaalsContact C-N 3.33Å; I7-T9 PolarHBondContact O-N 2.9Å; I7-F10 PolarHBondContact O-N 3.43Å; I7-F11 HydrophobicContact CG2-CD2 3.77Å; I7-F11 HydrophobicContact CG2-CE2 4.07Å; I7-F11 WeakPolarHBondContact O-CB 3.24Å; I7-F11 WeakPolarHBondContact O-CD2 3.45Å; I7-F11 PolarHBondContact O-N 3.35Å |
| 8 | A | 52.6 | Low | 57.3 | Low | 53 Ų | 53 | 120 Ų | 120 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.2 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R4 F12 | R4-A8 VanDerWaalsContact O-CB 3.29Å; R4-A8 WeakPolarHBondContact O-CB 3.29Å; R4-A8 PolarHBondContact O-N 3.49Å; A8-F12 WeakPolarHBondContact O-CA 3.45Å; A8-F12 VanDerWaalsContact O-CB 3.24Å; A8-F12 WeakPolarHBondContact O-CB 3.4Å; A8-F12 PolarHBondContact O-N 2.86Å |
| 9 | T | 51.6 | Low | 58.4 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 60% | 0.595 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.2 | -28.9 | -179.8 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | D5 R6 I7 F12 P13 | D5-T9 WeakPolarHBondContact O-CB 3.33Å; D5-T9 PolarHBondContact O-N 2.94Å; D5-T9 PolarHBondContact O-OG1 3.32Å; R6-T9 PolarHBondContact O-N 3.18Å; I7-T9 VanDerWaalsContact C-N 3.33Å; I7-T9 PolarHBondContact O-N 2.9Å; T9-F12 CarbonylContact O-C 3.51Å; T9-P13 WeakPolarHBondContact O-CD 3.37Å |
| 10 | F | 52 | Low | 59.5 | Low | 172 Ų | 172 | 110.8 Ų | 110.8 | 75% | 0.754 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -78 | -34.2 | 176.9 | -161.1 | -90.3 | 0 | 0 | 0 | 112.3 | R6 I7 | R6-F10 WeakPolarHBondContact O-CB 3.42Å; R6-F10 PolarHBondContact O-N 3.31Å; I7-F10 PolarHBondContact O-N 3.43Å |
| 11 | F | 49.2 | Very low | 60.7 | Low | 122 Ų | 122 | 107.1 Ų | 107.1 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -83.6 | -22.8 | 173.1 | -86.1 | -92.5 | 0 | 0 | 0 | 113.3 | I7 | I7-F11 HydrophobicContact CG2-CD2 3.77Å; I7-F11 HydrophobicContact CG2-CE2 4.07Å; I7-F11 WeakPolarHBondContact O-CB 3.24Å; I7-F11 WeakPolarHBondContact O-CD2 3.45Å; I7-F11 PolarHBondContact O-N 3.35Å |
| 12 | F | 48 | Very low | 62.4 | Low | 121 Ų | 121 | 95.5 Ų | 95.5 | 53% | 0.531 | 46% | 0.458 | S | S | . | . | trans | -128.4 | 58.9 | 179.6 | -77.4 | -110.7 | 0 | 0 | 0 | 113.4 | A8 T9 K14 M17 | A8-F12 WeakPolarHBondContact O-CA 3.45Å; A8-F12 VanDerWaalsContact O-CB 3.24Å; A8-F12 WeakPolarHBondContact O-CB 3.4Å; A8-F12 PolarHBondContact O-N 2.86Å; T9-F12 CarbonylContact O-C 3.51Å; F12-K14 PolarHBondContact O-N 2.81Å; F12-M17 HydrophobicContact CD1-CB 4.34Å; F12-M17 HydrophobicContact CD1-CG 3.8Å; F12-M17 HydrophobicContact CD1-SD 3.58Å; F12-M17 VanDerWaalsContact CD1-SD 3.58Å; F12-M17 HydrophobicContact CE1-CE 3.77Å; F12-M17 HydrophobicContact CE1-CG 3.55Å; F12-M17 HydrophobicContact CE1-SD 3.28Å; F12-M17 WeakPolarHBondContact CE1-SD 3.19Å; F12-M17 HydrophobicContact CZ-CG 4.25Å; F12-M17 HydrophobicContact CZ-SD 4.37Å | ||
| 13 | P | 58.2 | Low | 63.7 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | trans | -62.5 | 129.3 | 146.8 | 27.3 | -25.2 | 0 | 0 | 0 | 105.7 | T9 G15 M16 | T9-P13 WeakPolarHBondContact O-CD 3.37Å; P13-G15 PolarHBondContact O-N 3Å; P13-M16 HydrophobicContact CG-CB 3.74Å; P13-M16 HydrophobicContact CG-CG 3.59Å; P13-M16 HydrophobicContact CG-SD 3.36Å; P13-M16 WeakPolarHBondContact CG-SD 3.38Å; P13-M16 PolarHBondContact O-N 2.85Å | ||
| 14 | K | 56.5 | Low | 65.1 | Low | 197 Ų | 197 | 89.4 Ų | 89.4 | 86% | 0.857 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -17.6 | -173.1 | -73.9 | 177.7 | 176.4 | 173.5 | 0 | 114.3 | F12 | F12-K14 PolarHBondContact O-N 2.81Š|
| 15 | G | 59.5 | Low | 66.5 | Low | 12 Ų | 12 | 82.9 Ų | 82.9 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -16.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | P13 | P13-G15 PolarHBondContact O-N 3Š|
| 16 | M | 66.4 | Low | 68 | Low | 55 Ų | 55 | 80 Ų | 80 | 27% | 0.271 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -6.4 | -175.7 | -64 | 177.3 | 63.3 | 0 | 0 | 114 | P13 L18 T19 T20 I83 | P13-M16 HydrophobicContact CG-CB 3.74Å; P13-M16 HydrophobicContact CG-CG 3.59Å; P13-M16 HydrophobicContact CG-SD 3.36Å; P13-M16 WeakPolarHBondContact CG-SD 3.38Å; P13-M16 PolarHBondContact O-N 2.85Å; M16-L18 PolarHBondContact O-N 2.76Å; M16-T19 WeakPolarHBondContact CA-OG1 3.47Å; M16-T19 PolarHBondContact O-N 3.42Å; M16-T19 PolarHBondContact O-OG1 2.78Å; M16-T20 PolarHBondContact O-N 2.83Å; M16-T20 PolarHBondContact O-OG1 3.17Å; M16-T20 VanDerWaalsContact O-OG1 3.11Å; M16-I83 HydrophobicContact CE-CG2 4.32Å; M16-I83 HydrophobicContact CG-CG2 4Å; M16-I83 HydrophobicContact SD-CD1 3.74Å; M16-I83 HydrophobicContact SD-CG1 4.21Å; M16-I83 HydrophobicContact SD-CG2 4.05Å |
| 17 | M | 78 | Confident | 69.5 | Low | 105 Ų | 105 | 75.9 Ų | 75.9 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | -178.9 | -166.1 | -177.4 | 153 | 0 | 0 | 112 | F12 A21 | F12-M17 HydrophobicContact CD1-CB 4.34Å; F12-M17 HydrophobicContact CD1-CG 3.8Å; F12-M17 HydrophobicContact CD1-SD 3.58Å; F12-M17 VanDerWaalsContact CD1-SD 3.58Å; F12-M17 HydrophobicContact CE1-CE 3.77Å; F12-M17 HydrophobicContact CE1-CG 3.55Å; F12-M17 HydrophobicContact CE1-SD 3.28Å; F12-M17 WeakPolarHBondContact CE1-SD 3.19Å; F12-M17 HydrophobicContact CZ-CG 4.25Å; F12-M17 HydrophobicContact CZ-SD 4.37Å; M17-A21 WeakPolarHBondContact O-CB 3.36Å; M17-A21 PolarHBondContact O-N 3.26Å |
| 18 | L | 76.9 | Confident | 71.1 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 176.9 | -65.9 | 173.7 | 0 | 0 | 0 | 112.8 | M16 A21 A22 W67 M70 | M16-L18 PolarHBondContact O-N 2.76Å; L18-A21 PolarHBondContact O-N 3.13Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.49Å; L18-W67 HydrophobicContact CD2-CG 4.29Å; L18-M70 HydrophobicContact CD1-CB 3.98Å |
| 19 | T | 77.7 | Confident | 72.7 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 176.6 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | M16 A22 L23 G71 A87 | M16-T19 WeakPolarHBondContact CA-OG1 3.47Å; M16-T19 PolarHBondContact O-N 3.42Å; M16-T19 PolarHBondContact O-OG1 2.78Å; T19-A22 PolarHBondContact O-N 2.94Å; T19-L23 WeakPolarHBondContact O-CB 3.32Å; T19-L23 PolarHBondContact O-N 3.25Å; T19-G71 VanDerWaalsContact CG2-CA 3.47Å; T19-A87 HydrophobicContact CG2-CB 3.77Å |
| 20 | T | 81.4 | Confident | 74.3 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 28% | 0.282 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 173.8 | -55.5 | 0 | 0 | 0 | 0 | 112 | M16 L23 M24 | M16-T20 PolarHBondContact O-N 2.83Å; M16-T20 PolarHBondContact O-OG1 3.17Å; M16-T20 VanDerWaalsContact O-OG1 3.11Å; T20-L23 PolarHBondContact O-N 3.46Å; T20-M24 PolarHBondContact O-N 2.96Å |
| 21 | A | 84.6 | Confident | 75.9 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M17 L18 L23 M24 L25 W67 | M17-A21 WeakPolarHBondContact O-CB 3.36Å; M17-A21 PolarHBondContact O-N 3.26Å; L18-A21 PolarHBondContact O-N 3.13Å; A21-L23 VanDerWaalsContact C-N 3.3Å; A21-L23 PolarHBondContact O-N 3.02Å; A21-M24 PolarHBondContact O-N 3.28Å; A21-L25 PolarHBondContact O-N 3.42Å; A21-W67 HydrophobicContact CB-CE3 3.83Å; A21-W67 HydrophobicContact CB-CZ3 3.99Å |
| 22 | A | 84.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L18 T19 F26 S64 W67 A68 I90 | L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.49Å; T19-A22 PolarHBondContact O-N 2.94Å; A22-F26 WeakPolarHBondContact O-CB 3.48Å; A22-F26 PolarHBondContact O-N 2.84Å; A22-S64 WeakPolarHBondContact CB-O 3.42Å; A22-S64 PolarHBondContact O-OG 3.38Å; A22-S64 VanDerWaalsContact O-OG 3.13Å; A22-W67 HydrophobicContact CB-CB 4.18Å; A22-A68 HydrophobicContact CB-CB 3.88Å; A22-I90 HydrophobicContact CB-CG2 4.26Å |
| 23 | L | 84.5 | Confident | 79.3 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 175 | -178.1 | 66.7 | 0 | 0 | 0 | 112.3 | T19 T20 A21 F26 F27 I90 | T19-L23 WeakPolarHBondContact O-CB 3.32Å; T19-L23 PolarHBondContact O-N 3.25Å; T20-L23 PolarHBondContact O-N 3.46Å; A21-L23 VanDerWaalsContact C-N 3.3Å; A21-L23 PolarHBondContact O-N 3.02Å; L23-F26 HydrophobicContact CD1-CD1 4.47Å; L23-F26 WeakPolarHBondContact O-CB 3.43Å; L23-F26 PolarHBondContact O-N 3.2Å; L23-F27 HydrophobicContact CD1-CD2 4.41Å; L23-F27 HydrophobicContact CD1-CE2 3.78Å; L23-F27 HydrophobicContact CD1-CZ 4.13Å; L23-F27 HydrophobicContact CD2-CE2 4.11Å; L23-F27 HydrophobicContact CG-CD2 4.15Å; L23-F27 HydrophobicContact CG-CE2 3.63Å; L23-F27 HydrophobicContact CG-CZ 4.43Å; L23-F27 WeakPolarHBondContact O-CD2 3.39Å; L23-F27 PolarHBondContact O-N 3.27Å; L23-I90 HydrophobicContact CB-CD1 4.24Å; L23-I90 HydrophobicContact CD1-CD1 4.42Å; L23-I90 HydrophobicContact CD1-CG1 4.19Å |
| 24 | M | 86.4 | Confident | 80.5 | Confident | 134 Ų | 134 | 60.8 Ų | 60.8 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 175.3 | -76.9 | -72.1 | -155.2 | 0 | 0 | 111.7 | T20 A21 F26 F27 L28 | T20-M24 PolarHBondContact O-N 2.96Å; A21-M24 PolarHBondContact O-N 3.28Å; M24-F26 VanDerWaalsContact C-N 3.31Å; M24-F26 PolarHBondContact O-N 3.25Å; M24-F27 PolarHBondContact O-N 2.97Å; M24-L28 PolarHBondContact O-N 3.46Å; M24-L28 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 84.8 | Confident | 81.8 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 174.5 | -74.9 | 176.7 | 0 | 0 | 0 | 111.5 | A21 F27 L28 H29 W67 | A21-L25 PolarHBondContact O-N 3.42Å; L25-F27 VanDerWaalsContact C-N 3.35Å; L25-F27 PolarHBondContact O-N 2.97Å; L25-L28 WeakPolarHBondContact O-CB 3.5Å; L25-L28 PolarHBondContact O-N 2.96Å; L25-H29 PolarHBondContact O-CD2 3.11Å; L25-H29 PolarHBondContact O-N 2.98Å; L25-W67 HydrophobicContact CD1-CE3 3.79Å; L25-W67 HydrophobicContact CD1-CZ3 3.56Å |
| 26 | F | 86.2 | Confident | 82.7 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.5 | -45.5 | 174.2 | 173.7 | -94.4 | 0 | 0 | 0 | 112.4 | A22 L23 M24 L28 H29 L30 L93 M97 | A22-F26 WeakPolarHBondContact O-CB 3.48Å; A22-F26 PolarHBondContact O-N 2.84Å; L23-F26 HydrophobicContact CD1-CD1 4.47Å; L23-F26 WeakPolarHBondContact O-CB 3.43Å; L23-F26 PolarHBondContact O-N 3.2Å; M24-F26 VanDerWaalsContact C-N 3.31Å; M24-F26 PolarHBondContact O-N 3.25Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 3.27Å; F26-H29 PolarHBondContact O-N 3.08Å; F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.36Å; F26-L93 HydrophobicContact CD2-CB 4.16Å; F26-L93 HydrophobicContact CE2-CB 3.58Å; F26-L93 WeakPolarHBondContact CE2-O 3.43Å; F26-L93 HydrophobicContact CZ-CB 3.87Å; F26-L93 HydrophobicContact CZ-CD1 4.37Å; F26-L93 HydrophobicContact CZ-CD2 4.11Å; F26-L93 HydrophobicContact CZ-CG 4.35Å; F26-M97 HydrophobicContact CD1-CE 4.33Å; F26-M97 HydrophobicContact CD2-CE 3.4Å; F26-M97 HydrophobicContact CD2-SD 3.75Å; F26-M97 HydrophobicContact CE1-CE 4.04Å; F26-M97 HydrophobicContact CE2-CB 4.12Å; F26-M97 HydrophobicContact CE2-CE 3.03Å; F26-M97 HydrophobicContact CE2-SD 3.86Å; F26-M97 HydrophobicContact CG-CE 4.04Å; F26-M97 HydrophobicContact CZ-CE 3.39Å; F26-M97 WeakPolarHBondContact O-CE 3.47Å |
| 27 | F | 86.3 | Confident | 83.3 | Confident | 116 Ų | 116 | 55 Ų | 55 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 177 | -73.6 | -59.4 | 0 | 0 | 0 | 112.9 | L23 M24 L25 L30 G31 | L23-F27 HydrophobicContact CD1-CD2 4.41Å; L23-F27 HydrophobicContact CD1-CE2 3.78Å; L23-F27 HydrophobicContact CD1-CZ 4.13Å; L23-F27 HydrophobicContact CD2-CE2 4.11Å; L23-F27 HydrophobicContact CG-CD2 4.15Å; L23-F27 HydrophobicContact CG-CE2 3.63Å; L23-F27 HydrophobicContact CG-CZ 4.43Å; L23-F27 WeakPolarHBondContact O-CD2 3.39Å; L23-F27 PolarHBondContact O-N 3.27Å; M24-F27 PolarHBondContact O-N 2.97Å; L25-F27 VanDerWaalsContact C-N 3.35Å; L25-F27 PolarHBondContact O-N 2.97Å; F27-L30 PolarHBondContact O-N 3.2Å; F27-G31 PolarHBondContact O-N 2.87Å |
| 28 | L | 87.7 | Confident | 83.4 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 175.2 | -173.8 | 148.9 | 0 | 0 | 0 | 110.7 | M24 L25 F26 L30 G31 I32 | M24-L28 PolarHBondContact O-N 3.46Å; M24-L28 VanDerWaalsContact O-N 3.16Å; L25-L28 WeakPolarHBondContact O-CB 3.5Å; L25-L28 PolarHBondContact O-N 2.96Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 3.27Å; L28-L30 VanDerWaalsContact C-N 3.31Å; L28-L30 PolarHBondContact O-N 3.4Å; L28-G31 PolarHBondContact O-N 3.02Å; L28-I32 HydrophobicContact CD2-CD1 3.54Å; L28-I32 HydrophobicContact CD2-CG1 4.48Å; L28-I32 HydrophobicContact CG-CD1 4.39Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 3.4Å; L28-I32 VanDerWaalsContact O-N 3.09Å |
| 29 | H | 86.4 | Confident | 83.4 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 174.8 | -74.1 | -62.1 | 0 | 0 | 0 | 112.5 | L25 F26 F33 L57 S60 Q61 M97 | L25-H29 PolarHBondContact O-CD2 3.11Å; L25-H29 PolarHBondContact O-N 2.98Å; F26-H29 PolarHBondContact O-N 3.08Å; H29-F33 WeakPolarHBondContact O-CB 3.38Å; H29-F33 PolarHBondContact O-N 3.23Å; H29-L57 PolarHBondContact CE1-O 3.25Å; H29-L57 VanDerWaalsContact CE1-O 3.25Å; H29-S60 PolarHBondContact CE1-OG 3Å; H29-S60 PolarHBondContact NE2-OG 3.36Å; H29-Q61 WeakPolarHBondContact NE2-CA 3.38Å; H29-Q61 PolarHBondContact NE2-N 3.24Å; H29-M97 HydrophobicContact CB-CE 4.44Å; H29-M97 HydrophobicContact CB-SD 3.21Å; H29-M97 WeakPolarHBondContact CB-SD 3.34Å |
| 30 | L | 85.3 | Confident | 83.1 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.7 | -171.6 | 59.6 | 0 | 0 | 0 | 111.8 | F26 F27 L28 F33 I34 M97 | F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.36Å; F27-L30 PolarHBondContact O-N 3.2Å; L28-L30 VanDerWaalsContact C-N 3.31Å; L28-L30 PolarHBondContact O-N 3.4Å; L30-F33 PolarHBondContact O-N 3.46Å; L30-I34 HydrophobicContact CD1-CD1 4.1Å; L30-I34 HydrophobicContact CD1-CG1 4.33Å; L30-I34 HydrophobicContact CG-CD1 3.85Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CB 3.37Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.43Å; L30-M97 HydrophobicContact CB-CE 3.43Å; L30-M97 VanDerWaalsContact CB-CE 3.43Å; L30-M97 HydrophobicContact CD1-CE 3.7Å; L30-M97 HydrophobicContact CG-CE 4.1Å |
| 31 | G | 85.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 43% | 0.433 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F27 L28 I34 S35 | F27-G31 PolarHBondContact O-N 2.87Å; L28-G31 PolarHBondContact O-N 3.02Å; G31-I34 PolarHBondContact O-N 3.24Å; G31-S35 WeakPolarHBondContact O-CB 3.27Å; G31-S35 PolarHBondContact O-N 2.91Å |
| 32 | I | 85 | Confident | 81.8 | Confident | 48 Ų | 48 | 59 Ų | 59 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 176.4 | -63.8 | 173.6 | 0 | 0 | 0 | 110.3 | L28 I34 S35 D36 L57 | L28-I32 HydrophobicContact CD2-CD1 3.54Å; L28-I32 HydrophobicContact CD2-CG1 4.48Å; L28-I32 HydrophobicContact CG-CD1 4.39Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 3.4Å; L28-I32 VanDerWaalsContact O-N 3.09Å; I32-I34 PolarHBondContact O-N 3.25Å; I32-S35 WeakPolarHBondContact O-CB 3.43Å; I32-S35 PolarHBondContact O-N 2.85Å; I32-D36 PolarHBondContact O-N 3.16Å; I32-L57 HydrophobicContact CD1-CD2 3.58Å; I32-L57 HydrophobicContact CG2-CD1 4Å |
| 33 | F | 83.7 | Confident | 80.9 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 178.9 | -178.6 | -103.2 | 0 | 0 | 0 | 112.5 | H29 L30 S35 D36 V37 N100 R101 L104 | H29-F33 WeakPolarHBondContact O-CB 3.38Å; H29-F33 PolarHBondContact O-N 3.23Å; L30-F33 PolarHBondContact O-N 3.46Å; F33-S35 VanDerWaalsContact C-N 3.29Å; F33-S35 PolarHBondContact O-N 3.26Å; F33-D36 PolarHBondContact O-N 2.86Å; F33-V37 HydrophobicContact CD1-CG2 4.07Å; F33-V37 HydrophobicContact CD2-CG2 4.33Å; F33-V37 HydrophobicContact CE1-CG2 3.64Å; F33-V37 HydrophobicContact CE2-CG2 3.92Å; F33-V37 HydrophobicContact CG-CG2 4.4Å; F33-V37 HydrophobicContact CZ-CG2 3.55Å; F33-V37 WeakPolarHBondContact O-CB 3.42Å; F33-V37 VanDerWaalsContact O-CG2 3.27Å; F33-V37 WeakPolarHBondContact O-CG2 3.17Å; F33-V37 PolarHBondContact O-N 2.89Å; F33-N100 HydrophobicContact CE1-CB 4.31Å; F33-N100 HydrophobicContact CE2-CB 4.1Å; F33-N100 WeakPolarHBondContact CE2-O 3.48Å; F33-N100 HydrophobicContact CZ-CB 3.76Å; F33-R101 HydrophobicContact CD2-CB 4.45Å; F33-L104 HydrophobicContact CD2-CD2 4.24Å; F33-L104 HydrophobicContact CE2-CB 4.02Å; F33-L104 HydrophobicContact CE2-CD2 3.96Å |
| 34 | I | 84.1 | Confident | 80 | Confident | 101 Ų | 101 | 64 Ų | 64 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176 | -70 | 168 | 0 | 0 | 0 | 110.5 | L30 G31 I32 V37 H38 | L30-I34 HydrophobicContact CD1-CD1 4.1Å; L30-I34 HydrophobicContact CD1-CG1 4.33Å; L30-I34 HydrophobicContact CG-CD1 3.85Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CB 3.37Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.43Å; G31-I34 PolarHBondContact O-N 3.24Å; I32-I34 PolarHBondContact O-N 3.25Å; I34-V37 PolarHBondContact O-N 3.37Å; I34-H38 VanDerWaalsContact O-CB 3.27Å; I34-H38 WeakPolarHBondContact O-CB 3.46Å; I34-H38 PolarHBondContact O-N 2.96Å |
| 35 | S | 82.4 | Confident | 78.9 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 54% | 0.538 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.6 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | G31 I32 F33 H38 N39 | G31-S35 WeakPolarHBondContact O-CB 3.27Å; G31-S35 PolarHBondContact O-N 2.91Å; I32-S35 WeakPolarHBondContact O-CB 3.43Å; I32-S35 PolarHBondContact O-N 2.85Å; F33-S35 VanDerWaalsContact C-N 3.29Å; F33-S35 PolarHBondContact O-N 3.26Å; S35-H38 PolarHBondContact O-N 3.43Å; S35-N39 VanDerWaalsContact O-CB 3.23Å; S35-N39 WeakPolarHBondContact O-CB 3.35Å; S35-N39 PolarHBondContact O-N 2.94Å |
| 36 | D | 79.8 | Confident | 77.6 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.6 | -77.3 | -24.9 | 0 | 0 | 0 | 111 | I32 F33 H38 N39 F40 M49 S50 L104 | I32-D36 PolarHBondContact O-N 3.16Å; F33-D36 PolarHBondContact O-N 2.86Å; D36-H38 PolarHBondContact O-N 3.3Å; D36-N39 PolarHBondContact O-N 3.16Å; D36-F40 WeakPolarHBondContact O-CB 3.39Å; D36-F40 PolarHBondContact O-N 2.92Å; D36-M49 HydrophobicContact CB-CE 4.31Å; D36-S50 PolarHBondContact OD1-N 3.41Å; D36-L104 HydrophobicContact CB-CD2 3.82Å |
| 37 | V | 79.6 | Confident | 76.2 | Confident | 52 Ų | 52 | 72 Ų | 72 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | F33 I34 N39 F40 C41 L104 | F33-V37 HydrophobicContact CD1-CG2 4.07Å; F33-V37 HydrophobicContact CD2-CG2 4.33Å; F33-V37 HydrophobicContact CE1-CG2 3.64Å; F33-V37 HydrophobicContact CE2-CG2 3.92Å; F33-V37 HydrophobicContact CG-CG2 4.4Å; F33-V37 HydrophobicContact CZ-CG2 3.55Å; F33-V37 WeakPolarHBondContact O-CB 3.42Å; F33-V37 VanDerWaalsContact O-CG2 3.27Å; F33-V37 WeakPolarHBondContact O-CG2 3.17Å; F33-V37 PolarHBondContact O-N 2.89Å; I34-V37 PolarHBondContact O-N 3.37Å; V37-N39 VanDerWaalsContact C-N 3.32Å; V37-N39 PolarHBondContact O-N 3.47Å; V37-F40 PolarHBondContact O-N 3.41Å; V37-C41 VanDerWaalsContact O-CB 3.3Å; V37-C41 WeakPolarHBondContact O-CB 3.46Å; V37-C41 PolarHBondContact O-N 3.38Å; V37-L104 HydrophobicContact CG2-CD1 3.98Å; V37-L104 HydrophobicContact CG2-CD2 4.09Å |
| 38 | H | 79.9 | Confident | 74.8 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 44% | 0.44 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 177.7 | -179.2 | -76.8 | 0 | 0 | 0 | 110.9 | I34 S35 D36 F40 I42 T43 | I34-H38 VanDerWaalsContact O-CB 3.27Å; I34-H38 WeakPolarHBondContact O-CB 3.46Å; I34-H38 PolarHBondContact O-N 2.96Å; S35-H38 PolarHBondContact O-N 3.43Å; D36-H38 PolarHBondContact O-N 3.3Å; H38-F40 VanDerWaalsContact C-N 3.34Å; H38-F40 PolarHBondContact O-N 2.97Å; H38-I42 VanDerWaalsContact CD2-CD1 3.43Å; H38-I42 WeakPolarHBondContact CD2-CD1 3.39Å; H38-I42 WeakPolarHBondContact O-CB 3.45Å; H38-I42 PolarHBondContact O-N 3.44Å; H38-T43 PolarHBondContact O-N 3.18Å |
| 39 | N | 76.3 | Confident | 73.3 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 9% | 0.086 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.5 | -30.8 | -178.9 | -168.1 | 66.3 | 0 | 0 | 0 | 112.6 | S35 D36 V37 H44 H45 M49 | S35-N39 VanDerWaalsContact O-CB 3.23Å; S35-N39 WeakPolarHBondContact O-CB 3.35Å; S35-N39 PolarHBondContact O-N 2.94Å; D36-N39 PolarHBondContact O-N 3.16Å; V37-N39 VanDerWaalsContact C-N 3.32Å; V37-N39 PolarHBondContact O-N 3.47Å; N39-H44 PolarHBondContact O-N 3.29Å; N39-H45 PolarHBondContact ND2-O 3.13Å; N39-H45 PolarHBondContact O-N 3.07Å; N39-M49 WeakPolarHBondContact ND2-CG 3.4Å |
| 40 | F | 71.4 | Confident | 72 | Confident | 35 Ų | 35 | 73.5 Ų | 73.5 | 15% | 0.154 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.3 | -53.5 | 172.8 | -170 | -104.2 | 0 | 0 | 0 | 112.5 | D36 V37 H38 Y46 M49 L104 L107 A108 | D36-F40 WeakPolarHBondContact O-CB 3.39Å; D36-F40 PolarHBondContact O-N 2.92Å; V37-F40 PolarHBondContact O-N 3.41Å; H38-F40 VanDerWaalsContact C-N 3.34Å; H38-F40 PolarHBondContact O-N 2.97Å; F40-Y46 HydrophobicContact CD2-CD1 4.22Å; F40-Y46 AromaticContact CD2-CE1 3.5Å; F40-Y46 HydrophobicContact CD2-CE1 3.5Å; F40-Y46 VanDerWaalsContact CD2-CE1 3.5Å; F40-Y46 HydrophobicContact CE2-CD1 4.4Å; F40-Y46 AromaticContact CE2-CE1 3.5Å; F40-Y46 HydrophobicContact CE2-CE1 3.5Å; F40-Y46 VanDerWaalsContact CE2-CE1 3.5Å; F40-M49 HydrophobicContact CB-CE 3.56Å; F40-M49 HydrophobicContact CB-SD 4.09Å; F40-M49 HydrophobicContact CD2-CE 3.6Å; F40-M49 HydrophobicContact CD2-SD 3.64Å; F40-M49 HydrophobicContact CG-CE 3.94Å; F40-M49 HydrophobicContact CG-SD 4.35Å; F40-L104 HydrophobicContact CD1-CD1 4.33Å; F40-L104 HydrophobicContact CG-CD1 4.44Å; F40-L107 HydrophobicContact CZ-CB 4.35Å; F40-A108 HydrophobicContact CD2-CB 4.32Å; F40-A108 HydrophobicContact CE2-CB 3.67Å; F40-A108 HydrophobicContact CZ-CB 4.44Å |
| 41 | C | 69.5 | Low | 71 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -85.2 | -36.4 | -168 | -176.1 | 0 | 0 | 0 | 0 | 113.2 | V37 H44 | V37-C41 VanDerWaalsContact O-CB 3.3Å; V37-C41 WeakPolarHBondContact O-CB 3.46Å; V37-C41 PolarHBondContact O-N 3.38Å; C41-H44 PolarHBondContact O-CE1 2.89Å |
| 42 | I | 69.2 | Low | 70.1 | Confident | 113 Ų | 113 | 80.7 Ų | 80.7 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -53.7 | -173.6 | -64.2 | 166.2 | 0 | 0 | 0 | 110.3 | H38 H44 | H38-I42 VanDerWaalsContact CD2-CD1 3.43Å; H38-I42 WeakPolarHBondContact CD2-CD1 3.39Å; H38-I42 WeakPolarHBondContact O-CB 3.45Å; H38-I42 PolarHBondContact O-N 3.44Å; I42-H44 PolarHBondContact O-ND1 3.06Å |
| 43 | T | 66.4 | Low | 69.4 | Low | 62 Ų | 62 | 86 Ų | 86 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -90.3 | -15 | -167.6 | -30.6 | 0 | 0 | 0 | 0 | 113.7 | H38 H45 | H38-T43 PolarHBondContact O-N 3.18Å; T43-H45 HydrophobicContact CG2-CB 4.39Å; T43-H45 PolarHBondContact O-N 3.27Å |
| 44 | H | 64.8 | Low | 69 | Low | 101 Ų | 101 | 85.2 Ų | 85.2 | 47% | 0.468 | 41% | 0.414 | S | S | . | . | trans | 49.5 | 24.8 | -176.3 | -65.1 | 75.3 | 0 | 0 | 0 | 113.7 | N39 C41 I42 Y46 | N39-H44 PolarHBondContact O-N 3.29Å; C41-H44 PolarHBondContact O-CE1 2.89Å; I42-H44 PolarHBondContact O-ND1 3.06Å; H44-Y46 HydrophobicContact CB-CE2 4.11Å; H44-Y46 WeakPolarHBondContact O-CD2 3.38Å; H44-Y46 WeakPolarHBondContact O-CE2 3.38Å; H44-Y46 PolarHBondContact O-N 3.16Å | ||
| 45 | H | 62.8 | Low | 68.6 | Low | 109 Ų | 109 | 86.1 Ų | 86.1 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | trans | -94.7 | 70.5 | -176.6 | -99.6 | -47.7 | 0 | 0 | 0 | 110.7 | N39 T43 E47 R48 | N39-H45 PolarHBondContact ND2-O 3.13Å; N39-H45 PolarHBondContact O-N 3.07Å; T43-H45 HydrophobicContact CG2-CB 4.39Å; T43-H45 PolarHBondContact O-N 3.27Å; H45-E47 PolarHBondContact O-N 2.98Å; H45-R48 PolarHBondContact O-N 3.26Å | ||
| 46 | Y | 58 | Low | 68.5 | Low | 60 Ų | 60 | 87 Ų | 87 | 24% | 0.235 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -55.7 | -25.8 | -173.6 | -65.6 | -87.6 | 0 | 0 | 0 | 115.2 | F40 H44 R48 M49 Y111 | F40-Y46 HydrophobicContact CD2-CD1 4.22Å; F40-Y46 AromaticContact CD2-CE1 3.5Å; F40-Y46 HydrophobicContact CD2-CE1 3.5Å; F40-Y46 VanDerWaalsContact CD2-CE1 3.5Å; F40-Y46 HydrophobicContact CE2-CD1 4.4Å; F40-Y46 AromaticContact CE2-CE1 3.5Å; F40-Y46 HydrophobicContact CE2-CE1 3.5Å; F40-Y46 VanDerWaalsContact CE2-CE1 3.5Å; H44-Y46 HydrophobicContact CB-CE2 4.11Å; H44-Y46 WeakPolarHBondContact O-CD2 3.38Å; H44-Y46 WeakPolarHBondContact O-CE2 3.38Å; H44-Y46 PolarHBondContact O-N 3.16Å; Y46-R48 PolarHBondContact O-N 3.45Å; Y46-M49 HydrophobicContact CD1-SD 3.99Å; Y46-M49 PolarHBondContact O-N 3.2Å; Y46-Y111 AromaticContact CE1-CD1 3.78Å; Y46-Y111 HydrophobicContact CE1-CD1 3.78Å; Y46-Y111 HydrophobicContact CE1-CE1 4.03Å; Y46-Y111 HydrophobicContact CE2-CD1 4.29Å; Y46-Y111 AromaticContact CE2-CE1 3.69Å; Y46-Y111 HydrophobicContact CE2-CE1 3.69Å; Y46-Y111 AromaticContact CZ-CD1 3.53Å; Y46-Y111 AromaticContact CZ-CE1 3.29Å; Y46-Y111 VanDerWaalsContact OH-CD1 3.3Å; Y46-Y111 WeakPolarHBondContact OH-CD1 3.43Å; Y46-Y111 WeakPolarHBondContact OH-CE1 3.3Å; Y46-Y111 VanDerWaalsContact OH-CZ 3.3Å |
| 47 | E | 56 | Low | 68.6 | Low | 194 Ų | 194 | 87 Ų | 87 | 91% | 0.907 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -64.6 | -20.7 | 176.1 | -68.9 | -168.7 | 157.5 | 0 | 0 | 114.3 | H45 | H45-E47 PolarHBondContact O-N 2.98Š|
| 48 | R | 56.6 | Low | 68.7 | Low | 208 Ų | 208 | 86.1 Ų | 86.1 | 79% | 0.785 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -93.4 | -3.2 | 179 | -78.6 | -172.6 | -178.8 | -170.1 | 2 | 114.4 | H45 Y46 | H45-R48 PolarHBondContact O-N 3.26Å; Y46-R48 PolarHBondContact O-N 3.45Å |
| 49 | M | 57 | Low | 68.9 | Low | 11 Ų | 11 | 88.5 Ų | 88.5 | 5% | 0.054 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -72.7 | 141.1 | 179.4 | -67.4 | -173.5 | 86.5 | 0 | 0 | 110.9 | D36 N39 F40 Y46 F51 L104 | D36-M49 HydrophobicContact CB-CE 4.31Å; N39-M49 WeakPolarHBondContact ND2-CG 3.4Å; F40-M49 HydrophobicContact CB-CE 3.56Å; F40-M49 HydrophobicContact CB-SD 4.09Å; F40-M49 HydrophobicContact CD2-CE 3.6Å; F40-M49 HydrophobicContact CD2-SD 3.64Å; F40-M49 HydrophobicContact CG-CE 3.94Å; F40-M49 HydrophobicContact CG-SD 4.35Å; Y46-M49 HydrophobicContact CD1-SD 3.99Å; Y46-M49 PolarHBondContact O-N 3.2Å; M49-F51 HydrophobicContact CB-CD2 3.47Å; M49-F51 VanDerWaalsContact CB-CD2 3.47Å; M49-F51 HydrophobicContact CB-CE2 3.53Å; M49-F51 HydrophobicContact CE-CE2 3.96Å; M49-F51 HydrophobicContact CE-CZ 4.32Å; M49-F51 HydrophobicContact CG-CE2 4.2Å; M49-F51 PolarHBondContact O-N 3.27Å; M49-F51 HydrophobicContact SD-CE2 3.65Å; M49-F51 HydrophobicContact SD-CZ 4.48Å; M49-L104 HydrophobicContact CE-CD2 4.2Å; M49-L104 HydrophobicContact CE-CG 4.48Å |
| 50 | S | 60 | Low | 69.3 | Low | 27 Ų | 27 | 89 Ų | 89 | 19% | 0.189 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -73.4 | 31.5 | -172.9 | -169.9 | 0 | 0 | 0 | 0 | 114.9 | D36 H52 Y53 T54 L57 | D36-S50 PolarHBondContact OD1-N 3.41Å; S50-H52 VanDerWaalsContact C-N 3.32Å; S50-H52 PolarHBondContact O-N 3.1Å; S50-Y53 CarbonylContact O-C 3.54Å; S50-Y53 PolarHBondContact O-N 2.83Å; S50-Y53 VanDerWaalsContact O-N 3.09Å; S50-T54 PolarHBondContact O-N 3.15Å; S50-T54 VanDerWaalsContact O-N 3.16Å; S50-L57 WeakPolarHBondContact OG-CD1 3.34Å |
| 51 | F | 63.8 | Low | 70 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 32% | 0.316 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -61 | -35.9 | 179.9 | -78.1 | -73.1 | 0 | 0 | 0 | 113.3 | M49 Y53 T54 E105 A108 | M49-F51 HydrophobicContact CB-CD2 3.47Å; M49-F51 VanDerWaalsContact CB-CD2 3.47Å; M49-F51 HydrophobicContact CB-CE2 3.53Å; M49-F51 HydrophobicContact CE-CE2 3.96Å; M49-F51 HydrophobicContact CE-CZ 4.32Å; M49-F51 HydrophobicContact CG-CE2 4.2Å; M49-F51 PolarHBondContact O-N 3.27Å; M49-F51 HydrophobicContact SD-CE2 3.65Å; M49-F51 HydrophobicContact SD-CZ 4.48Å; F51-Y53 PolarHBondContact O-N 3.28Å; F51-T54 VanDerWaalsContact O-CB 3.27Å; F51-T54 WeakPolarHBondContact O-CB 3.33Å; F51-T54 PolarHBondContact O-N 3.08Å; F51-T54 VanDerWaalsContact O-N 3.1Å; F51-E105 HydrophobicContact CD1-CG 4.49Å; F51-E105 HydrophobicContact CE1-CB 4.16Å; F51-E105 HydrophobicContact CE1-CG 3.83Å; F51-A108 HydrophobicContact CE1-CB 4.18Å; F51-A108 HydrophobicContact CE2-CB 3.99Å; F51-A108 HydrophobicContact CZ-CB 3.31Å |
| 52 | H | 65.3 | Low | 70.8 | Confident | 181 Ų | 181 | 86.6 Ų | 86.6 | 84% | 0.838 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -62.7 | -28.4 | 176.7 | -80.7 | -67.5 | 0 | 0 | 0 | 113 | S50 | S50-H52 VanDerWaalsContact C-N 3.32Å; S50-H52 PolarHBondContact O-N 3.1Å |
| 53 | Y | 70.3 | Confident | 71.7 | Confident | 159 Ų | 159 | 83.7 Ų | 83.7 | 62% | 0.624 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -101.2 | 7.5 | 177.7 | -59.4 | -75 | 0 | 0 | 0 | 112.7 | S50 F51 V55 V56 L57 | S50-Y53 CarbonylContact O-C 3.54Å; S50-Y53 PolarHBondContact O-N 2.83Å; S50-Y53 VanDerWaalsContact O-N 3.09Å; F51-Y53 PolarHBondContact O-N 3.28Å; Y53-V55 VanDerWaalsContact C-N 3.29Å; Y53-V55 PolarHBondContact O-N 3.41Å; Y53-V56 PolarHBondContact O-N 3.07Å; Y53-V56 VanDerWaalsContact O-N 3.1Å; Y53-L57 WeakPolarHBondContact O-CB 3.37Å; Y53-L57 WeakPolarHBondContact O-CG 3.38Å; Y53-L57 PolarHBondContact O-N 2.79Å |
| 54 | T | 75.3 | Confident | 72.6 | Confident | 20 Ų | 20 | 80.8 Ų | 80.8 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -54.8 | -43.9 | -179.6 | -86.3 | 0 | 0 | 0 | 0 | 112.3 | S50 F51 V56 L57 M58 R101 E105 | S50-T54 PolarHBondContact O-N 3.15Å; S50-T54 VanDerWaalsContact O-N 3.16Å; F51-T54 VanDerWaalsContact O-CB 3.27Å; F51-T54 WeakPolarHBondContact O-CB 3.33Å; F51-T54 PolarHBondContact O-N 3.08Å; F51-T54 VanDerWaalsContact O-N 3.1Å; T54-V56 VanDerWaalsContact C-N 3.34Å; T54-V56 PolarHBondContact O-N 3.41Å; T54-L57 PolarHBondContact O-N 3.25Å; T54-M58 HydrophobicContact CG2-CG 4.15Å; T54-M58 WeakPolarHBondContact O-CB 3.44Å; T54-M58 WeakPolarHBondContact O-CG 3.35Å; T54-M58 PolarHBondContact O-N 2.73Å; T54-R101 PolarHBondContact OG1-NH2 3.49Å; T54-E105 VanDerWaalsContact CB-OE1 3.28Å; T54-E105 WeakPolarHBondContact CB-OE1 3.48Å; T54-E105 VanDerWaalsContact CG2-CD 3.43Å; T54-E105 WeakPolarHBondContact CG2-OE1 3.41Å; T54-E105 WeakPolarHBondContact CG2-OE2 3.38Å; T54-E105 PolarHBondContact OG1-OE1 2.89Å |
| 55 | V | 76 | Confident | 73.6 | Confident | 119 Ų | 119 | 78.1 Ų | 78.1 | 72% | 0.721 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | Y53 F59 | Y53-V55 VanDerWaalsContact C-N 3.29Å; Y53-V55 PolarHBondContact O-N 3.41Å; V55-F59 WeakPolarHBondContact O-CB 3.21Å; V55-F59 PolarHBondContact O-N 2.87Å |
| 56 | V | 81.1 | Confident | 74.8 | Confident | 96 Ų | 96 | 76 Ų | 76 | 58% | 0.582 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 178.8 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | Y53 T54 F59 S60 | Y53-V56 PolarHBondContact O-N 3.07Å; Y53-V56 VanDerWaalsContact O-N 3.1Å; T54-V56 VanDerWaalsContact C-N 3.34Å; T54-V56 PolarHBondContact O-N 3.41Å; V56-F59 PolarHBondContact O-N 2.87Å; V56-S60 PolarHBondContact O-N 3.38Å; V56-S60 PolarHBondContact O-OG 3.37Å; V56-S60 VanDerWaalsContact O-OG 3.08Å |
| 57 | L | 81.1 | Confident | 76.1 | Confident | 13 Ų | 13 | 78.2 Ų | 78.2 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 178.8 | -73.2 | 168.7 | 0 | 0 | 0 | 111 | H29 I32 S50 Y53 T54 F59 S60 Q61 | H29-L57 PolarHBondContact CE1-O 3.25Å; H29-L57 VanDerWaalsContact CE1-O 3.25Å; I32-L57 HydrophobicContact CD1-CD2 3.58Å; I32-L57 HydrophobicContact CG2-CD1 4Å; S50-L57 WeakPolarHBondContact OG-CD1 3.34Å; Y53-L57 WeakPolarHBondContact O-CB 3.37Å; Y53-L57 WeakPolarHBondContact O-CG 3.38Å; Y53-L57 PolarHBondContact O-N 2.79Å; T54-L57 PolarHBondContact O-N 3.25Å; L57-F59 VanDerWaalsContact C-N 3.33Å; L57-F59 PolarHBondContact O-N 3.35Å; L57-S60 WeakPolarHBondContact CA-OG 3.21Å; L57-S60 PolarHBondContact O-N 3.27Å; L57-S60 PolarHBondContact O-OG 2.91Å; L57-Q61 WeakPolarHBondContact O-CB 3.41Å; L57-Q61 PolarHBondContact O-N 3.38Å |
| 58 | M | 82.9 | Confident | 77.5 | Confident | 33 Ų | 33 | 69 Ų | 69 | 16% | 0.163 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 175 | -69.4 | -65 | -111.7 | 0 | 0 | 111.7 | T54 Q61 V62 F98 L102 | T54-M58 HydrophobicContact CG2-CG 4.15Å; T54-M58 WeakPolarHBondContact O-CB 3.44Å; T54-M58 WeakPolarHBondContact O-CG 3.35Å; T54-M58 PolarHBondContact O-N 2.73Å; M58-Q61 PolarHBondContact O-N 3.39Å; M58-V62 WeakPolarHBondContact O-CG2 3.41Å; M58-V62 PolarHBondContact O-N 3.36Å; M58-F98 HydrophobicContact CE-CD2 4.35Å; M58-F98 HydrophobicContact CE-CE2 3.6Å; M58-F98 HydrophobicContact CE-CZ 4.01Å; M58-F98 HydrophobicContact SD-CD2 3.89Å; M58-F98 HydrophobicContact SD-CE2 3.54Å; M58-F98 VanDerWaalsContact SD-CE2 3.54Å; M58-F98 HydrophobicContact SD-CZ 4.5Å; M58-L102 HydrophobicContact CE-CD1 4.45Å; M58-L102 HydrophobicContact CE-CD2 3.21Å; M58-L102 HydrophobicContact CE-CG 3.63Å |
| 59 | F | 83.1 | Confident | 78.9 | Confident | 145 Ų | 145 | 60.7 Ų | 60.7 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 177.6 | -169.6 | -104.5 | 0 | 0 | 0 | 112.1 | V55 V56 L57 Q61 V62 I63 | V55-F59 WeakPolarHBondContact O-CB 3.21Å; V55-F59 PolarHBondContact O-N 2.87Å; V56-F59 PolarHBondContact O-N 2.87Å; L57-F59 VanDerWaalsContact C-N 3.33Å; L57-F59 PolarHBondContact O-N 3.35Å; F59-Q61 VanDerWaalsContact C-N 3.29Å; F59-Q61 PolarHBondContact O-N 2.96Å; F59-V62 PolarHBondContact O-N 3.43Å; F59-I63 HydrophobicContact CD1-CD1 3.62Å; F59-I63 HydrophobicContact CE1-CD1 3.38Å; F59-I63 HydrophobicContact CE1-CG1 4.35Å; F59-I63 HydrophobicContact CZ-CD1 4.1Å; F59-I63 WeakPolarHBondContact O-CG1 3.3Å; F59-I63 PolarHBondContact O-N 3.29Å |
| 60 | S | 85.5 | Confident | 80.2 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -30.7 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | H29 V56 L57 I63 S64 | H29-S60 PolarHBondContact CE1-OG 3Å; H29-S60 PolarHBondContact NE2-OG 3.36Å; V56-S60 PolarHBondContact O-N 3.38Å; V56-S60 PolarHBondContact O-OG 3.37Å; V56-S60 VanDerWaalsContact O-OG 3.08Å; L57-S60 WeakPolarHBondContact CA-OG 3.21Å; L57-S60 PolarHBondContact O-N 3.27Å; L57-S60 PolarHBondContact O-OG 2.91Å; S60-I63 PolarHBondContact O-N 3.01Å; S60-S64 WeakPolarHBondContact O-CB 3.37Å; S60-S64 PolarHBondContact O-N 3.31Å |
| 61 | Q | 85.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.9 | -40 | 177.4 | -146.3 | 163.6 | 10.3 | 0 | 0 | 111.3 | H29 L57 M58 F59 S64 I65 M97 F98 | H29-Q61 WeakPolarHBondContact NE2-CA 3.38Å; H29-Q61 PolarHBondContact NE2-N 3.24Å; L57-Q61 WeakPolarHBondContact O-CB 3.41Å; L57-Q61 PolarHBondContact O-N 3.38Å; M58-Q61 PolarHBondContact O-N 3.39Å; F59-Q61 VanDerWaalsContact C-N 3.29Å; F59-Q61 PolarHBondContact O-N 2.96Å; Q61-S64 WeakPolarHBondContact O-CB 3.37Å; Q61-S64 PolarHBondContact O-N 2.9Å; Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 2.89Å; Q61-M97 VanDerWaalsContact NE2-CG 3.33Å; Q61-M97 PolarHBondContact NE2-O 3.11Å; Q61-F98 HydrophobicContact CG-CB 4.45Å; Q61-F98 HydrophobicContact CG-CD2 4.49Å |
| 62 | V | 87.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 171.3 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | M58 F59 S64 I65 C66 | M58-V62 WeakPolarHBondContact O-CG2 3.41Å; M58-V62 PolarHBondContact O-N 3.36Å; F59-V62 PolarHBondContact O-N 3.43Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.41Å; V62-I65 PolarHBondContact O-N 3.25Å; V62-C66 PolarHBondContact O-N 3.21Å; V62-C66 PolarHBondContact O-SG 2.96Å |
| 63 | I | 86.8 | Confident | 83 | Confident | 53 Ų | 53 | 57 Ų | 57 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 175 | -69.2 | 168.7 | 0 | 0 | 0 | 110.8 | F59 S60 I65 C66 W67 | F59-I63 HydrophobicContact CD1-CD1 3.62Å; F59-I63 HydrophobicContact CE1-CD1 3.38Å; F59-I63 HydrophobicContact CE1-CG1 4.35Å; F59-I63 HydrophobicContact CZ-CD1 4.1Å; F59-I63 WeakPolarHBondContact O-CG1 3.3Å; F59-I63 PolarHBondContact O-N 3.29Å; S60-I63 PolarHBondContact O-N 3.01Å; I63-I65 PolarHBondContact O-N 3.4Å; I63-C66 PolarHBondContact O-N 2.94Å; I63-W67 HydrophobicContact CG2-CD2 3.83Å; I63-W67 VanDerWaalsContact CG2-CE2 3.47Å; I63-W67 HydrophobicContact CG2-CE3 4.25Å; I63-W67 HydrophobicContact CG2-CG 4.38Å; I63-W67 HydrophobicContact CG2-CH2 4.04Å; I63-W67 HydrophobicContact CG2-CZ2 3.59Å; I63-W67 HydrophobicContact CG2-CZ3 4.35Å; I63-W67 PolarHBondContact O-N 2.81Å |
| 64 | S | 85.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | A22 S60 Q61 V62 W67 A68 N94 | A22-S64 WeakPolarHBondContact CB-O 3.42Å; A22-S64 PolarHBondContact O-OG 3.38Å; A22-S64 VanDerWaalsContact O-OG 3.13Å; S60-S64 WeakPolarHBondContact O-CB 3.37Å; S60-S64 PolarHBondContact O-N 3.31Å; Q61-S64 WeakPolarHBondContact O-CB 3.37Å; Q61-S64 PolarHBondContact O-N 2.9Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.41Å; S64-W67 PolarHBondContact O-N 2.98Å; S64-A68 WeakPolarHBondContact O-CB 2.89Å; S64-A68 PolarHBondContact O-N 3.22Å; S64-N94 WeakPolarHBondContact CB-OD1 3.34Å; S64-N94 PolarHBondContact OG-OD1 3.32Å |
| 65 | I | 86.6 | Confident | 83.6 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 175 | -68.2 | 166.1 | 0 | 0 | 0 | 110.7 | Q61 V62 I63 W67 A68 A69 L91 N94 F98 | Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 2.89Å; V62-I65 PolarHBondContact O-N 3.25Å; I63-I65 PolarHBondContact O-N 3.4Å; I65-W67 VanDerWaalsContact C-N 3.33Å; I65-W67 PolarHBondContact O-N 2.95Å; I65-A68 PolarHBondContact O-N 3.09Å; I65-A69 WeakPolarHBondContact O-CB 3.28Å; I65-A69 PolarHBondContact O-N 3.31Å; I65-L91 HydrophobicContact CG2-CD1 3.86Å; I65-N94 HydrophobicContact CG1-CB 3.77Å; I65-F98 HydrophobicContact CD1-CB 4.3Å |
| 66 | C | 86.1 | Confident | 83.7 | Confident | 65 Ų | 65 | 53.3 Ų | 53.3 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 177.2 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | V62 I63 A69 M70 | V62-C66 PolarHBondContact O-N 3.21Å; V62-C66 PolarHBondContact O-SG 2.96Å; I63-C66 PolarHBondContact O-N 2.94Å; C66-A69 PolarHBondContact O-N 3.43Å; C66-M70 WeakPolarHBondContact O-CB 3.41Å; C66-M70 WeakPolarHBondContact O-CG 3.4Å; C66-M70 PolarHBondContact O-N 3.32Å |
| 67 | W | 85.5 | Confident | 83.6 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 40% | 0.398 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 175.7 | -70.6 | -5.5 | 0 | 0 | 0 | 112.6 | L18 A21 A22 L25 I63 S64 I65 G71 | L18-W67 HydrophobicContact CD2-CG 4.29Å; A21-W67 HydrophobicContact CB-CE3 3.83Å; A21-W67 HydrophobicContact CB-CZ3 3.99Å; A22-W67 HydrophobicContact CB-CB 4.18Å; L25-W67 HydrophobicContact CD1-CE3 3.79Å; L25-W67 HydrophobicContact CD1-CZ3 3.56Å; I63-W67 HydrophobicContact CG2-CD2 3.83Å; I63-W67 VanDerWaalsContact CG2-CE2 3.47Å; I63-W67 HydrophobicContact CG2-CE3 4.25Å; I63-W67 HydrophobicContact CG2-CG 4.38Å; I63-W67 HydrophobicContact CG2-CH2 4.04Å; I63-W67 HydrophobicContact CG2-CZ2 3.59Å; I63-W67 HydrophobicContact CG2-CZ3 4.35Å; I63-W67 PolarHBondContact O-N 2.81Å; S64-W67 PolarHBondContact O-N 2.98Å; I65-W67 VanDerWaalsContact C-N 3.33Å; I65-W67 PolarHBondContact O-N 2.95Å; W67-G71 PolarHBondContact O-N 3.34Å |
| 68 | A | 85.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A22 S64 I65 G71 S72 I90 L91 | A22-A68 HydrophobicContact CB-CB 3.88Å; S64-A68 WeakPolarHBondContact O-CB 2.89Å; S64-A68 PolarHBondContact O-N 3.22Å; I65-A68 PolarHBondContact O-N 3.09Å; A68-G71 PolarHBondContact O-N 3.31Å; A68-S72 WeakPolarHBondContact O-CB 3.27Å; A68-S72 PolarHBondContact O-N 2.8Å; A68-I90 HydrophobicContact CB-CG2 4.2Å; A68-L91 HydrophobicContact CB-CB 4.14Å; A68-L91 HydrophobicContact CB-CD1 3.95Å |
| 69 | A | 85.9 | Confident | 82.5 | Confident | 35 Ų | 35 | 67 Ų | 67 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I65 C66 G71 S72 L73 L91 | I65-A69 WeakPolarHBondContact O-CB 3.28Å; I65-A69 PolarHBondContact O-N 3.31Å; C66-A69 PolarHBondContact O-N 3.43Å; A69-G71 VanDerWaalsContact C-N 3.29Å; A69-G71 PolarHBondContact O-N 3.36Å; A69-S72 WeakPolarHBondContact O-CB 3.14Å; A69-S72 PolarHBondContact O-N 3.16Å; A69-S72 VanDerWaalsContact O-N 3.16Å; A69-L73 PolarHBondContact O-N 2.83Å; A69-L91 HydrophobicContact CB-CD1 4.16Å |
| 70 | M | 85.1 | Confident | 82 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 174 | -73.2 | -62.6 | -70 | 0 | 0 | 111.8 | L18 C66 L73 Y74 | L18-M70 HydrophobicContact CD1-CB 3.98Å; C66-M70 WeakPolarHBondContact O-CB 3.41Å; C66-M70 WeakPolarHBondContact O-CG 3.4Å; C66-M70 PolarHBondContact O-N 3.32Å; M70-L73 PolarHBondContact O-N 2.89Å; M70-L73 HydrophobicContact SD-CD1 4.28Å; M70-Y74 PolarHBondContact O-N 3.39Å |
| 71 | G | 82.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T19 W67 A68 A69 Y74 A75 | T19-G71 VanDerWaalsContact CG2-CA 3.47Å; W67-G71 PolarHBondContact O-N 3.34Å; A68-G71 PolarHBondContact O-N 3.31Å; A69-G71 VanDerWaalsContact C-N 3.29Å; A69-G71 PolarHBondContact O-N 3.36Å; G71-Y74 PolarHBondContact O-N 3.09Å; G71-A75 WeakPolarHBondContact O-CB 3.3Å; G71-A75 PolarHBondContact O-N 3.24Å |
| 72 | S | 82.6 | Confident | 81.1 | Confident | 13 Ų | 13 | 78.5 Ų | 78.5 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 172.9 | -176 | 0 | 0 | 0 | 0 | 112 | A68 A69 Y74 A75 E76 L88 | A68-S72 WeakPolarHBondContact O-CB 3.27Å; A68-S72 PolarHBondContact O-N 2.8Å; A69-S72 WeakPolarHBondContact O-CB 3.14Å; A69-S72 PolarHBondContact O-N 3.16Å; A69-S72 VanDerWaalsContact O-N 3.16Å; S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 3.05Å; S72-A75 WeakPolarHBondContact O-CB 3.43Å; S72-A75 PolarHBondContact O-N 3.45Å; S72-E76 PolarHBondContact O-N 3.46Å; S72-L88 WeakPolarHBondContact OG-CD2 3.27Å |
| 73 | L | 82.9 | Confident | 80.5 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 48% | 0.482 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.9 | -75.3 | 169.5 | 0 | 0 | 0 | 111.6 | A69 M70 E76 M77 | A69-L73 PolarHBondContact O-N 2.83Å; M70-L73 PolarHBondContact O-N 2.89Å; M70-L73 HydrophobicContact SD-CD1 4.28Å; L73-E76 WeakPolarHBondContact O-CB 3.46Å; L73-E76 PolarHBondContact O-N 3.46Å; L73-M77 PolarHBondContact O-N 2.89Å; L73-M77 VanDerWaalsContact O-N 3.13Å |
| 74 | Y | 78.8 | Confident | 80.1 | Confident | 108 Ų | 108 | 79.5 Ų | 79.5 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 177.1 | -148.7 | -75.3 | 0 | 0 | 0 | 112 | M70 G71 S72 E76 M77 T78 | M70-Y74 PolarHBondContact O-N 3.39Å; G71-Y74 PolarHBondContact O-N 3.09Å; S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 3.05Å; Y74-E76 VanDerWaalsContact C-N 3.27Å; Y74-E76 PolarHBondContact O-N 3.47Å; Y74-M77 PolarHBondContact O-N 2.97Å; Y74-T78 PolarHBondContact O-N 3.36Å; Y74-T78 PolarHBondContact O-OG1 3.38Å |
| 75 | A | 78.3 | Confident | 79.9 | Confident | 2 Ų | 2 | 83.1 Ų | 83.1 | 2% | 0.017 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G71 S72 T78 I83 R84 A87 | G71-A75 WeakPolarHBondContact O-CB 3.3Å; G71-A75 PolarHBondContact O-N 3.24Å; S72-A75 WeakPolarHBondContact O-CB 3.43Å; S72-A75 PolarHBondContact O-N 3.45Å; A75-T78 PolarHBondContact O-N 2.96Å; A75-I83 HydrophobicContact CB-CB 4.33Å; A75-I83 HydrophobicContact CB-CG2 3.7Å; A75-R84 HydrophobicContact CB-CB 4.33Å; A75-A87 HydrophobicContact CB-CB 4.38Å |
| 76 | E | 79.1 | Confident | 79.6 | Confident | 110 Ų | 110 | 84.3 Ų | 84.3 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 173.6 | -174.3 | 169.2 | -162.2 | 0 | 0 | 111.9 | S72 L73 Y74 T78 E79 | S72-E76 PolarHBondContact O-N 3.46Å; L73-E76 WeakPolarHBondContact O-CB 3.46Å; L73-E76 PolarHBondContact O-N 3.46Å; Y74-E76 VanDerWaalsContact C-N 3.27Å; Y74-E76 PolarHBondContact O-N 3.47Å; E76-T78 PolarHBondContact O-N 3.31Å; E76-E79 PolarHBondContact O-N 3.02Å |
| 77 | M | 77.8 | Confident | 79.4 | Confident | 158 Ų | 158 | 81.3 Ų | 81.3 | 78% | 0.778 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.1 | -20 | 174.4 | -67.8 | -175.4 | -179.4 | 0 | 0 | 114 | L73 Y74 | L73-M77 PolarHBondContact O-N 2.89Å; L73-M77 VanDerWaalsContact O-N 3.13Å; Y74-M77 PolarHBondContact O-N 2.97Å |
| 78 | T | 72.9 | Confident | 79.3 | Confident | 84 Ų | 84 | 80 Ų | 80 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 3.8 | -177.2 | -34 | 0 | 0 | 0 | 0 | 112.5 | Y74 A75 E76 N80 | Y74-T78 PolarHBondContact O-N 3.36Å; Y74-T78 PolarHBondContact O-OG1 3.38Å; A75-T78 PolarHBondContact O-N 2.96Å; E76-T78 PolarHBondContact O-N 3.31Å; T78-N80 PolarHBondContact O-N 2.93Å |
| 79 | E | 68.3 | Low | 79.3 | Confident | 187 Ų | 187 | 83.5 Ų | 83.5 | 87% | 0.874 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 7.7 | -179 | -67.9 | -170.1 | 168.4 | 0 | 0 | 116.8 | E76 K81 | E76-E79 PolarHBondContact O-N 3.02Å; E79-K81 PolarHBondContact O-N 2.6Å |
| 80 | N | 72.5 | Confident | 79.3 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 34% | 0.342 | 41% | 0.409 | S | S | . | . | trans | -84.6 | 104.5 | -177.8 | -168.1 | -28.1 | 0 | 0 | 0 | 111.1 | T78 Y82 I83 R84 | T78-N80 PolarHBondContact O-N 2.93Å; N80-Y82 PolarHBondContact O-N 3.06Å; N80-Y82 VanDerWaalsContact O-N 3.15Å; N80-Y82 PolarHBondContact OD1-N 3.11Å; N80-I83 HydrophobicContact CB-CB 4.3Å; N80-I83 HydrophobicContact CB-CD1 3.92Å; N80-I83 HydrophobicContact CB-CG1 4.11Å; N80-I83 WeakPolarHBondContact ND2-CD1 3.23Å; N80-I83 PolarHBondContact O-N 2.86Å; N80-R84 PolarHBondContact O-N 3.1Å; N80-R84 VanDerWaalsContact O-N 3.08Å | ||
| 81 | K | 76.1 | Confident | 79.4 | Confident | 158 Ų | 158 | 79.9 Ų | 79.9 | 69% | 0.687 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -51.8 | -37.3 | -178.5 | -122.2 | 175.9 | -176.5 | 176.8 | 0 | 113.9 | E79 C85 | E79-K81 PolarHBondContact O-N 2.6Å; K81-C85 WeakPolarHBondContact O-CB 3.49Å; K81-C85 PolarHBondContact O-N 2.92Å; K81-C85 VanDerWaalsContact O-N 3.11Å |
| 82 | Y | 75.7 | Confident | 79.7 | Confident | 192 Ų | 192 | 87 Ų | 87 | 75% | 0.753 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -71.8 | -46 | -177.9 | -66.5 | -77.6 | 0 | 0 | 0 | 111.8 | N80 R84 C85 S86 | N80-Y82 PolarHBondContact O-N 3.06Å; N80-Y82 VanDerWaalsContact O-N 3.15Å; N80-Y82 PolarHBondContact OD1-N 3.11Å; Y82-R84 VanDerWaalsContact C-N 3.32Å; Y82-R84 PolarHBondContact O-N 3.16Å; Y82-C85 PolarHBondContact O-N 3.35Å; Y82-S86 PolarHBondContact O-N 2.98Å; Y82-S86 PolarHBondContact O-OG 3.01Å |
| 83 | I | 74.8 | Confident | 80 | Confident | 38 Ų | 38 | 89.9 Ų | 89.9 | 20% | 0.195 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | -179.8 | -58 | 176.6 | 0 | 0 | 0 | 110.1 | M16 A75 N80 S86 A87 | M16-I83 HydrophobicContact CE-CG2 4.32Å; M16-I83 HydrophobicContact CG-CG2 4Å; M16-I83 HydrophobicContact SD-CD1 3.74Å; M16-I83 HydrophobicContact SD-CG1 4.21Å; M16-I83 HydrophobicContact SD-CG2 4.05Å; A75-I83 HydrophobicContact CB-CB 4.33Å; A75-I83 HydrophobicContact CB-CG2 3.7Å; N80-I83 HydrophobicContact CB-CB 4.3Å; N80-I83 HydrophobicContact CB-CD1 3.92Å; N80-I83 HydrophobicContact CB-CG1 4.11Å; N80-I83 WeakPolarHBondContact ND2-CD1 3.23Å; N80-I83 PolarHBondContact O-N 2.86Å; I83-S86 PolarHBondContact O-N 3.48Å; I83-A87 WeakPolarHBondContact O-CB 3.27Å; I83-A87 PolarHBondContact O-N 3.26Å |
| 84 | R | 79.3 | Confident | 80.1 | Confident | 104 Ų | 104 | 85.5 Ų | 85.5 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.2 | -170.7 | -179.3 | 73 | 175.9 | 5.1 | 111.8 | A75 N80 Y82 A87 L88 | A75-R84 HydrophobicContact CB-CB 4.33Å; N80-R84 PolarHBondContact O-N 3.1Å; N80-R84 VanDerWaalsContact O-N 3.08Å; Y82-R84 VanDerWaalsContact C-N 3.32Å; Y82-R84 PolarHBondContact O-N 3.16Å; R84-A87 PolarHBondContact O-N 3.05Å; R84-L88 HydrophobicContact CG-CD1 4.22Å; R84-L88 WeakPolarHBondContact O-CG 3.48Å; R84-L88 PolarHBondContact O-N 3.46Å |
| 85 | C | 81.7 | Confident | 80.4 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 177.4 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | K81 Y82 A87 L88 T89 | K81-C85 WeakPolarHBondContact O-CB 3.49Å; K81-C85 PolarHBondContact O-N 2.92Å; K81-C85 VanDerWaalsContact O-N 3.11Å; Y82-C85 PolarHBondContact O-N 3.35Å; C85-A87 PolarHBondContact O-N 3.26Å; C85-L88 PolarHBondContact O-N 2.96Å; C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 PolarHBondContact O-OG1 2.86Å |
| 86 | S | 78.8 | Confident | 80.9 | Confident | 70 Ų | 70 | 83.5 Ų | 83.5 | 49% | 0.49 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | Y82 I83 T89 I90 | Y82-S86 PolarHBondContact O-N 2.98Å; Y82-S86 PolarHBondContact O-OG 3.01Å; I83-S86 PolarHBondContact O-N 3.48Å; S86-T89 PolarHBondContact O-N 3.04Å; S86-I90 VanDerWaalsContact O-CG1 3.27Å; S86-I90 WeakPolarHBondContact O-CG1 3.45Å; S86-I90 PolarHBondContact O-N 3.28Å |
| 87 | A | 81.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T19 A75 I83 R84 C85 I90 L91 | T19-A87 HydrophobicContact CG2-CB 3.77Å; A75-A87 HydrophobicContact CB-CB 4.38Å; I83-A87 WeakPolarHBondContact O-CB 3.27Å; I83-A87 PolarHBondContact O-N 3.26Å; R84-A87 PolarHBondContact O-N 3.05Å; C85-A87 PolarHBondContact O-N 3.26Å; A87-I90 PolarHBondContact O-N 2.84Å; A87-L91 PolarHBondContact O-N 3.47Å |
| 88 | L | 84.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.5 | -73.6 | 171.3 | 0 | 0 | 0 | 112 | S72 R84 C85 L91 M92 | S72-L88 WeakPolarHBondContact OG-CD2 3.27Å; R84-L88 HydrophobicContact CG-CD1 4.22Å; R84-L88 WeakPolarHBondContact O-CG 3.48Å; R84-L88 PolarHBondContact O-N 3.46Å; C85-L88 PolarHBondContact O-N 2.96Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 2.87Å; L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.44Å; L88-M92 PolarHBondContact O-N 3.35Å |
| 89 | T | 86.1 | Confident | 82.1 | Confident | 73 Ų | 73 | 76.1 Ų | 76.1 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 174.2 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | C85 S86 L91 M92 L93 | C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 PolarHBondContact O-OG1 2.86Å; S86-T89 PolarHBondContact O-N 3.04Å; T89-L91 VanDerWaalsContact C-N 3.3Å; T89-L91 PolarHBondContact O-N 3.31Å; T89-M92 PolarHBondContact O-N 3.19Å; T89-L93 HydrophobicContact CG2-CD1 4.02Å; T89-L93 HydrophobicContact CG2-CG 4.41Å; T89-L93 WeakPolarHBondContact O-CB 3.47Å; T89-L93 VanDerWaalsContact O-CG 3.3Å; T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 2.91Å |
| 90 | I | 85.3 | Confident | 82.9 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.1 | -67.2 | 164.6 | 0 | 0 | 0 | 111 | A22 L23 A68 S86 A87 L93 N94 | A22-I90 HydrophobicContact CB-CG2 4.26Å; L23-I90 HydrophobicContact CB-CD1 4.24Å; L23-I90 HydrophobicContact CD1-CD1 4.42Å; L23-I90 HydrophobicContact CD1-CG1 4.19Å; A68-I90 HydrophobicContact CB-CG2 4.2Å; S86-I90 VanDerWaalsContact O-CG1 3.27Å; S86-I90 WeakPolarHBondContact O-CG1 3.45Å; S86-I90 PolarHBondContact O-N 3.28Å; A87-I90 PolarHBondContact O-N 2.84Å; I90-L93 PolarHBondContact O-N 3.28Å; I90-N94 PolarHBondContact O-N 3.19Å; I90-N94 PolarHBondContact O-ND2 3.3Å |
| 91 | L | 87.5 | Confident | 83.4 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 175.7 | -179.1 | 63.7 | 0 | 0 | 0 | 111.7 | I65 A68 A69 A87 L88 T89 L93 N94 G95 | I65-L91 HydrophobicContact CG2-CD1 3.86Å; A68-L91 HydrophobicContact CB-CB 4.14Å; A68-L91 HydrophobicContact CB-CD1 3.95Å; A69-L91 HydrophobicContact CB-CD1 4.16Å; A87-L91 PolarHBondContact O-N 3.47Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 2.87Å; T89-L91 VanDerWaalsContact C-N 3.3Å; T89-L91 PolarHBondContact O-N 3.31Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.46Å; L91-N94 PolarHBondContact O-N 3.02Å; L91-G95 PolarHBondContact O-N 2.98Å |
| 92 | M | 89.8 | Confident | 83.8 | Confident | 149 Ų | 149 | 64.1 Ų | 64.1 | 73% | 0.734 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 177.1 | -70.2 | -116.1 | 120 | 0 | 0 | 111.8 | L88 T89 G95 A96 | L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.44Å; L88-M92 PolarHBondContact O-N 3.35Å; T89-M92 PolarHBondContact O-N 3.19Å; M92-G95 PolarHBondContact O-N 3.21Å; M92-A96 WeakPolarHBondContact O-CB 3.48Å; M92-A96 PolarHBondContact O-N 3.44Å |
| 93 | L | 87.6 | Confident | 84.2 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.1 | -78.6 | 171.9 | 0 | 0 | 0 | 112 | F26 T89 I90 L91 G95 A96 M97 | F26-L93 HydrophobicContact CD2-CB 4.16Å; F26-L93 HydrophobicContact CE2-CB 3.58Å; F26-L93 WeakPolarHBondContact CE2-O 3.43Å; F26-L93 HydrophobicContact CZ-CB 3.87Å; F26-L93 HydrophobicContact CZ-CD1 4.37Å; F26-L93 HydrophobicContact CZ-CD2 4.11Å; F26-L93 HydrophobicContact CZ-CG 4.35Å; T89-L93 HydrophobicContact CG2-CD1 4.02Å; T89-L93 HydrophobicContact CG2-CG 4.41Å; T89-L93 WeakPolarHBondContact O-CB 3.47Å; T89-L93 VanDerWaalsContact O-CG 3.3Å; T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 2.91Å; I90-L93 PolarHBondContact O-N 3.28Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.46Å; L93-G95 VanDerWaalsContact C-N 3.32Å; L93-G95 PolarHBondContact O-N 2.99Å; L93-A96 PolarHBondContact O-N 3.26Å; L93-M97 WeakPolarHBondContact O-CB 3.27Å; L93-M97 PolarHBondContact O-N 3.45Å |
| 94 | N | 85.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 176 | -84.9 | -85.2 | 0 | 0 | 0 | 111.7 | S64 I65 I90 L91 M97 F98 | S64-N94 WeakPolarHBondContact CB-OD1 3.34Å; S64-N94 PolarHBondContact OG-OD1 3.32Å; I65-N94 HydrophobicContact CG1-CB 3.77Å; I90-N94 PolarHBondContact O-N 3.19Å; I90-N94 PolarHBondContact O-ND2 3.3Å; L91-N94 PolarHBondContact O-N 3.02Å; N94-M97 PolarHBondContact O-N 2.89Å; N94-F98 PolarHBondContact O-N 3.38Å |
| 95 | G | 85.1 | Confident | 84.7 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L91 M92 L93 M97 F98 F99 | L91-G95 PolarHBondContact O-N 2.98Å; M92-G95 PolarHBondContact O-N 3.21Å; L93-G95 VanDerWaalsContact C-N 3.32Å; L93-G95 PolarHBondContact O-N 2.99Å; G95-M97 VanDerWaalsContact C-N 3.27Å; G95-M97 PolarHBondContact O-N 3.43Å; G95-F98 WeakPolarHBondContact O-CB 3.3Å; G95-F98 PolarHBondContact O-N 3.18Å; G95-F98 VanDerWaalsContact O-N 3.16Å; G95-F99 VanDerWaalsContact O-CD2 3.28Å; G95-F99 WeakPolarHBondContact O-CD2 3.43Å; G95-F99 PolarHBondContact O-N 3.36Å |
| 96 | A | 87.8 | Confident | 84.7 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M92 L93 F98 F99 N100 | M92-A96 WeakPolarHBondContact O-CB 3.48Å; M92-A96 PolarHBondContact O-N 3.44Å; L93-A96 PolarHBondContact O-N 3.26Å; A96-F98 VanDerWaalsContact C-N 3.34Å; A96-F99 PolarHBondContact O-N 2.96Å; A96-N100 PolarHBondContact O-N 3.25Å; A96-N100 PolarHBondContact O-ND2 2.7Å |
| 97 | M | 86.6 | Confident | 84.8 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 177.3 | -170.1 | -177.1 | -86.7 | 0 | 0 | 112.8 | F26 H29 L30 Q61 L93 N94 G95 N100 R101 | F26-M97 HydrophobicContact CD1-CE 4.33Å; F26-M97 HydrophobicContact CD2-CE 3.4Å; F26-M97 HydrophobicContact CD2-SD 3.75Å; F26-M97 HydrophobicContact CE1-CE 4.04Å; F26-M97 HydrophobicContact CE2-CB 4.12Å; F26-M97 HydrophobicContact CE2-CE 3.03Å; F26-M97 HydrophobicContact CE2-SD 3.86Å; F26-M97 HydrophobicContact CG-CE 4.04Å; F26-M97 HydrophobicContact CZ-CE 3.39Å; F26-M97 WeakPolarHBondContact O-CE 3.47Å; H29-M97 HydrophobicContact CB-CE 4.44Å; H29-M97 HydrophobicContact CB-SD 3.21Å; H29-M97 WeakPolarHBondContact CB-SD 3.34Å; L30-M97 HydrophobicContact CB-CE 3.43Å; L30-M97 VanDerWaalsContact CB-CE 3.43Å; L30-M97 HydrophobicContact CD1-CE 3.7Å; L30-M97 HydrophobicContact CG-CE 4.1Å; Q61-M97 VanDerWaalsContact NE2-CG 3.33Å; Q61-M97 PolarHBondContact NE2-O 3.11Å; L93-M97 WeakPolarHBondContact O-CB 3.27Å; L93-M97 PolarHBondContact O-N 3.45Å; N94-M97 PolarHBondContact O-N 2.89Å; G95-M97 VanDerWaalsContact C-N 3.27Å; G95-M97 PolarHBondContact O-N 3.43Å; M97-N100 PolarHBondContact O-N 2.98Å; M97-R101 WeakPolarHBondContact O-CB 3.47Å; M97-R101 PolarHBondContact O-N 3.37Å |
| 98 | F | 84.6 | Confident | 84.5 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.5 | 176.6 | -101 | 0 | 0 | 0 | 111.4 | M58 Q61 I65 N94 G95 A96 R101 L102 | M58-F98 HydrophobicContact CE-CD2 4.35Å; M58-F98 HydrophobicContact CE-CE2 3.6Å; M58-F98 HydrophobicContact CE-CZ 4.01Å; M58-F98 HydrophobicContact SD-CD2 3.89Å; M58-F98 HydrophobicContact SD-CE2 3.54Å; M58-F98 VanDerWaalsContact SD-CE2 3.54Å; M58-F98 HydrophobicContact SD-CZ 4.5Å; Q61-F98 HydrophobicContact CG-CB 4.45Å; Q61-F98 HydrophobicContact CG-CD2 4.49Å; I65-F98 HydrophobicContact CD1-CB 4.3Å; N94-F98 PolarHBondContact O-N 3.38Å; G95-F98 WeakPolarHBondContact O-CB 3.3Å; G95-F98 PolarHBondContact O-N 3.18Å; G95-F98 VanDerWaalsContact O-N 3.16Å; A96-F98 VanDerWaalsContact C-N 3.34Å; F98-R101 PolarHBondContact O-N 3.35Å; F98-L102 HydrophobicContact CD1-CD1 3.93Å; F98-L102 HydrophobicContact CE1-CD1 3.4Å; F98-L102 VanDerWaalsContact CE1-CD1 3.4Å; F98-L102 HydrophobicContact CE1-CG 4.35Å; F98-L102 HydrophobicContact CZ-CD1 3.76Å; F98-L102 HydrophobicContact CZ-CG 4.37Å; F98-L102 PolarHBondContact O-N 2.87Å |
| 99 | F | 84.6 | Confident | 84.3 | Confident | 140 Ų | 140 | 59 Ų | 59 | 61% | 0.614 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.6 | -45.2 | 175.1 | -77.8 | -71.5 | 0 | 0 | 0 | 112.7 | G95 A96 R101 L102 S103 | G95-F99 VanDerWaalsContact O-CD2 3.28Å; G95-F99 WeakPolarHBondContact O-CD2 3.43Å; G95-F99 PolarHBondContact O-N 3.36Å; A96-F99 PolarHBondContact O-N 2.96Å; F99-R101 PolarHBondContact O-N 2.87Å; F99-L102 WeakPolarHBondContact O-CB 3.34Å; F99-L102 PolarHBondContact O-N 3.48Å; F99-S103 PolarHBondContact O-N 3.5Å; F99-S103 PolarHBondContact O-OG 3.03Å |
| 100 | N | 85.1 | Confident | 83.9 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.2 | -38.8 | 176.8 | -79.3 | -60.1 | 0 | 0 | 0 | 112 | F33 A96 M97 S103 L104 | F33-N100 HydrophobicContact CE1-CB 4.31Å; F33-N100 HydrophobicContact CE2-CB 4.1Å; F33-N100 WeakPolarHBondContact CE2-O 3.48Å; F33-N100 HydrophobicContact CZ-CB 3.76Å; A96-N100 PolarHBondContact O-N 3.25Å; A96-N100 PolarHBondContact O-ND2 2.7Å; M97-N100 PolarHBondContact O-N 2.98Å; N100-S103 PolarHBondContact O-N 3.2Å; N100-L104 PolarHBondContact O-N 3.4Å |
| 101 | R | 83.5 | Confident | 83.3 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 177 | -167.1 | 155 | -169.6 | -73.8 | -18.4 | 111.8 | F33 T54 M97 F98 F99 S103 L104 E105 | F33-R101 HydrophobicContact CD2-CB 4.45Å; T54-R101 PolarHBondContact OG1-NH2 3.49Å; M97-R101 WeakPolarHBondContact O-CB 3.47Å; M97-R101 PolarHBondContact O-N 3.37Å; F98-R101 PolarHBondContact O-N 3.35Å; F99-R101 PolarHBondContact O-N 2.87Å; R101-S103 VanDerWaalsContact C-N 3.34Å; R101-S103 PolarHBondContact O-N 3.07Å; R101-L104 PolarHBondContact O-N 3.47Å; R101-E105 IonicContact CZ-OE1 3.38Å; R101-E105 IonicContact NH1-OE1 3.11Å; R101-E105 PolarHBondContact NH1-OE1 3.29Å; R101-E105 VanDerWaalsContact NH1-OE1 3.11Å; R101-E105 IonicContact NH2-OE1 3.39Å; R101-E105 PolarHBondContact NH2-OE1 2.9Å; R101-E105 WeakPolarHBondContact O-CG 3.41Å; R101-E105 PolarHBondContact O-N 3.3Å |
| 102 | L | 83.6 | Confident | 82.5 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 172.7 | -80 | 172 | 0 | 0 | 0 | 112.5 | M58 F98 F99 L104 E105 F106 | M58-L102 HydrophobicContact CE-CD1 4.45Å; M58-L102 HydrophobicContact CE-CD2 3.21Å; M58-L102 HydrophobicContact CE-CG 3.63Å; F98-L102 HydrophobicContact CD1-CD1 3.93Å; F98-L102 HydrophobicContact CE1-CD1 3.4Å; F98-L102 VanDerWaalsContact CE1-CD1 3.4Å; F98-L102 HydrophobicContact CE1-CG 4.35Å; F98-L102 HydrophobicContact CZ-CD1 3.76Å; F98-L102 HydrophobicContact CZ-CG 4.37Å; F98-L102 PolarHBondContact O-N 2.87Å; F99-L102 WeakPolarHBondContact O-CB 3.34Å; F99-L102 PolarHBondContact O-N 3.48Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-L104 PolarHBondContact O-N 2.84Å; L102-E105 PolarHBondContact O-N 3.09Å; L102-F106 WeakPolarHBondContact O-CB 3.33Å; L102-F106 PolarHBondContact O-N 3.13Å |
| 103 | S | 84.9 | Confident | 81.7 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.9 | -64 | 0 | 0 | 0 | 0 | 112.1 | F99 N100 R101 F106 L107 | F99-S103 PolarHBondContact O-N 3.5Å; F99-S103 PolarHBondContact O-OG 3.03Å; N100-S103 PolarHBondContact O-N 3.2Å; R101-S103 VanDerWaalsContact C-N 3.34Å; R101-S103 PolarHBondContact O-N 3.07Å; S103-F106 PolarHBondContact O-N 2.99Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 WeakPolarHBondContact O-CG 3.36Å; S103-L107 PolarHBondContact O-N 3.45Å |
| 104 | L | 82.4 | Confident | 80.7 | Confident | 18 Ų | 18 | 73.1 Ų | 73.1 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.8 | -169.9 | 76.6 | 0 | 0 | 0 | 111.8 | F33 D36 V37 F40 M49 N100 R101 L102 A108 | F33-L104 HydrophobicContact CD2-CD2 4.24Å; F33-L104 HydrophobicContact CE2-CB 4.02Å; F33-L104 HydrophobicContact CE2-CD2 3.96Å; D36-L104 HydrophobicContact CB-CD2 3.82Å; V37-L104 HydrophobicContact CG2-CD1 3.98Å; V37-L104 HydrophobicContact CG2-CD2 4.09Å; F40-L104 HydrophobicContact CD1-CD1 4.33Å; F40-L104 HydrophobicContact CG-CD1 4.44Å; M49-L104 HydrophobicContact CE-CD2 4.2Å; M49-L104 HydrophobicContact CE-CG 4.48Å; N100-L104 PolarHBondContact O-N 3.4Å; R101-L104 PolarHBondContact O-N 3.47Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-L104 PolarHBondContact O-N 2.84Å; L104-A108 WeakPolarHBondContact O-CB 3.13Å; L104-A108 PolarHBondContact O-N 3.04Å |
| 105 | E | 81.1 | Confident | 79.4 | Confident | 28 Ų | 28 | 78.1 Ų | 78.1 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.1 | -70.1 | -178.7 | 174.7 | 0 | 0 | 111.6 | F51 T54 R101 L102 A108 I109 | F51-E105 HydrophobicContact CD1-CG 4.49Å; F51-E105 HydrophobicContact CE1-CB 4.16Å; F51-E105 HydrophobicContact CE1-CG 3.83Å; T54-E105 VanDerWaalsContact CB-OE1 3.28Å; T54-E105 WeakPolarHBondContact CB-OE1 3.48Å; T54-E105 VanDerWaalsContact CG2-CD 3.43Å; T54-E105 WeakPolarHBondContact CG2-OE1 3.41Å; T54-E105 WeakPolarHBondContact CG2-OE2 3.38Å; T54-E105 PolarHBondContact OG1-OE1 2.89Å; R101-E105 IonicContact CZ-OE1 3.38Å; R101-E105 IonicContact NH1-OE1 3.11Å; R101-E105 PolarHBondContact NH1-OE1 3.29Å; R101-E105 VanDerWaalsContact NH1-OE1 3.11Å; R101-E105 IonicContact NH2-OE1 3.39Å; R101-E105 PolarHBondContact NH2-OE1 2.9Å; R101-E105 WeakPolarHBondContact O-CG 3.41Å; R101-E105 PolarHBondContact O-N 3.3Å; L102-E105 PolarHBondContact O-N 3.09Å; E105-A108 PolarHBondContact O-N 3.44Å; E105-I109 WeakPolarHBondContact O-CG1 3.42Å; E105-I109 PolarHBondContact O-N 2.99Å; E105-I109 VanDerWaalsContact O-N 3.09Å |
| 106 | F | 82.3 | Confident | 77.7 | Confident | 136 Ų | 136 | 87.7 Ų | 87.7 | 60% | 0.596 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.2 | -48.8 | 176 | -168.2 | -91.7 | 0 | 0 | 0 | 112 | L102 S103 A108 I109 E110 | L102-F106 WeakPolarHBondContact O-CB 3.33Å; L102-F106 PolarHBondContact O-N 3.13Å; S103-F106 PolarHBondContact O-N 2.99Å; F106-A108 PolarHBondContact O-N 2.98Å; F106-I109 PolarHBondContact O-N 3.46Å; F106-I109 VanDerWaalsContact O-N 3.13Å; F106-E110 PolarHBondContact O-N 2.97Å |
| 107 | L | 81 | Confident | 77.2 | Confident | 91 Ų | 91 | 89.7 Ų | 89.7 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.8 | -38.2 | 176.1 | -79.7 | 168 | 0 | 0 | 0 | 112.2 | F40 S103 Y111 | F40-L107 HydrophobicContact CZ-CB 4.35Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 WeakPolarHBondContact O-CG 3.36Å; S103-L107 PolarHBondContact O-N 3.45Å; L107-Y111 VanDerWaalsContact O-CB 3.29Å; L107-Y111 WeakPolarHBondContact O-CB 2.94Å; L107-Y111 PolarHBondContact O-N 3.07Å |
| 108 | A | 76.1 | Confident | 76.7 | Confident | 7 Ų | 7 | 94.1 Ų | 94.1 | 6% | 0.058 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -72 | -31 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F40 F51 L104 E105 F106 R112 | F40-A108 HydrophobicContact CD2-CB 4.32Å; F40-A108 HydrophobicContact CE2-CB 3.67Å; F40-A108 HydrophobicContact CZ-CB 4.44Å; F51-A108 HydrophobicContact CE1-CB 4.18Å; F51-A108 HydrophobicContact CE2-CB 3.99Å; F51-A108 HydrophobicContact CZ-CB 3.31Å; L104-A108 WeakPolarHBondContact O-CB 3.13Å; L104-A108 PolarHBondContact O-N 3.04Å; E105-A108 PolarHBondContact O-N 3.44Å; F106-A108 PolarHBondContact O-N 2.98Å; A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.01Å |
| 109 | I | 79.6 | Confident | 76.3 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68 | -50.5 | 172.5 | -70 | 163.1 | 0 | 0 | 0 | 109.8 | E105 F106 Y111 R112 E113 | E105-I109 WeakPolarHBondContact O-CG1 3.42Å; E105-I109 PolarHBondContact O-N 2.99Å; E105-I109 VanDerWaalsContact O-N 3.09Å; F106-I109 PolarHBondContact O-N 3.46Å; F106-I109 VanDerWaalsContact O-N 3.13Å; I109-Y111 VanDerWaalsContact C-N 3.33Å; I109-Y111 PolarHBondContact O-N 3.35Å; I109-R112 PolarHBondContact O-N 2.97Å; I109-E113 PolarHBondContact O-N 3.39Å |
| 110 | E | 78.9 | Confident | 75.8 | Confident | 101 Ų | 101 | 94 Ų | 94 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 179.5 | -169.6 | 170.9 | -166.4 | 0 | 0 | 111.3 | F106 R112 E113 E114 | F106-E110 PolarHBondContact O-N 2.97Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.39Å; E110-E113 PolarHBondContact O-N 2.96Å; E110-E114 WeakPolarHBondContact O-CB 3.23Å; E110-E114 PolarHBondContact O-N 3.19Å |
| 111 | Y | 71.8 | Confident | 75.2 | Confident | 86 Ų | 86 | 94.6 Ų | 94.6 | 34% | 0.337 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63 | -34.5 | 175.9 | -173.6 | -90.7 | 0 | 0 | 0 | 113.7 | Y46 L107 I109 N115 | Y46-Y111 AromaticContact CE1-CD1 3.78Å; Y46-Y111 HydrophobicContact CE1-CD1 3.78Å; Y46-Y111 HydrophobicContact CE1-CE1 4.03Å; Y46-Y111 HydrophobicContact CE2-CD1 4.29Å; Y46-Y111 AromaticContact CE2-CE1 3.69Å; Y46-Y111 HydrophobicContact CE2-CE1 3.69Å; Y46-Y111 AromaticContact CZ-CD1 3.53Å; Y46-Y111 AromaticContact CZ-CE1 3.29Å; Y46-Y111 VanDerWaalsContact OH-CD1 3.3Å; Y46-Y111 WeakPolarHBondContact OH-CD1 3.43Å; Y46-Y111 WeakPolarHBondContact OH-CE1 3.3Å; Y46-Y111 VanDerWaalsContact OH-CZ 3.3Å; L107-Y111 VanDerWaalsContact O-CB 3.29Å; L107-Y111 WeakPolarHBondContact O-CB 2.94Å; L107-Y111 PolarHBondContact O-N 3.07Å; I109-Y111 VanDerWaalsContact C-N 3.33Å; I109-Y111 PolarHBondContact O-N 3.35Å; Y111-N115 WeakPolarHBondContact CE1-ND2 3.29Å; Y111-N115 VanDerWaalsContact CZ-ND2 3.26Å; Y111-N115 PolarHBondContact O-N 2.91Å; Y111-N115 PolarHBondContact O-ND2 3.41Å |
| 112 | R | 70.8 | Confident | 74.7 | Confident | 167 Ų | 167 | 100.3 Ų | 100.3 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.2 | -35.8 | 176.5 | -176.1 | -176.2 | -79.3 | -168.9 | -4.3 | 111.2 | A108 I109 E110 | A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.01Å; I109-R112 PolarHBondContact O-N 2.97Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.39Å |
| 113 | E | 73.3 | Confident | 74.1 | Confident | 149 Ų | 149 | 102.9 Ų | 102.9 | 70% | 0.696 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.5 | -35.6 | 177.5 | -166.7 | 169.3 | -176.5 | 0 | 0 | 111.9 | I109 E110 | I109-E113 PolarHBondContact O-N 3.39Å; E110-E113 PolarHBondContact O-N 2.96Å |
| 114 | E | 65.8 | Low | 73.2 | Confident | 160 Ų | 160 | 105.5 Ų | 105.5 | 75% | 0.748 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.2 | -23.9 | -179.5 | -159 | 172.5 | -158.4 | 0 | 0 | 113.8 | E110 | E110-E114 WeakPolarHBondContact O-CB 3.23Å; E110-E114 PolarHBondContact O-N 3.19Å |
| 115 | N | 58.9 | Low | 72.5 | Confident | 104 Ų | 104 | 112.8 Ų | 112.8 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.3 | 178.5 | -76.5 | -72.7 | 0 | 0 | 0 | 114.6 | Y111 | Y111-N115 WeakPolarHBondContact CE1-ND2 3.29Å; Y111-N115 VanDerWaalsContact CZ-ND2 3.26Å; Y111-N115 PolarHBondContact O-N 2.91Å; Y111-N115 PolarHBondContact O-ND2 3.41Å |
| 116 | H | 50.3 | Low | 71.7 | Confident | 222 Ų | 222 | 120.5 Ų | 120.5 | 100% | 1.028 | 56% | 0.556 | S | S | * | * | trans | -110.2 | 0 | -178 | -112.6 | -105.5 | 0 | 0 | 0 | 113.5 |
Retrieved 116 of 116 residues in 65.2 ms
(Link to these results)