| 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 | 50.9 | Low | 52.4 | Low | 192 Ų | 192 | 113.6 Ų | 113.6 | 95% | 0.946 | 59% | 0.59 | S | S | * | * | 0 | -58.6 | 0 | -111.7 | 171.9 | 74.6 | 0 | 0 | 111.8 | V3 L4 L5 | M1-V3 PolarHBondContact O-N 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 3.34Å | |||
| 2 | C | 51.5 | Low | 52.6 | Low | 93 Ų | 93 | 112.3 Ų | 112.3 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -52.8 | -49.1 | -179.1 | -58.2 | 0 | 0 | 0 | 0 | 114.5 | L4 L5 E6 | C2-L4 PolarHBondContact O-N 3.2Å; C2-L4 VanDerWaalsContact O-N 3.13Å; C2-L5 WeakPolarHBondContact O-CA 3.34Å; C2-L5 WeakPolarHBondContact O-CB 3.27Å; C2-L5 PolarHBondContact O-N 3.17Å; C2-E6 PolarHBondContact O-N 3.36Å |
| 3 | V | 52.3 | Low | 52.4 | Low | 99 Ų | 99 | 113.6 Ų | 113.6 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.9 | -29.5 | 178.6 | -175.1 | 0 | 0 | 0 | 0 | 113.4 | M1 L7 | M1-V3 PolarHBondContact O-N 3.3Å; V3-L7 HydrophobicContact CG1-CD1 4.16Å; V3-L7 WeakPolarHBondContact O-CB 3.33Å; V3-L7 WeakPolarHBondContact O-CD1 3.39Å; V3-L7 VanDerWaalsContact O-CG 3.26Å; V3-L7 WeakPolarHBondContact O-CG 3.11Å; V3-L7 PolarHBondContact O-N 3.44Å |
| 4 | L | 51.4 | Low | 52.1 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 63% | 0.634 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.7 | -25.9 | 176 | -103.1 | 152.4 | 0 | 0 | 0 | 112.4 | M1 C2 L8 | M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.1Å; C2-L4 PolarHBondContact O-N 3.2Å; C2-L4 VanDerWaalsContact O-N 3.13Å; L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 WeakPolarHBondContact O-CD1 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 2.84Å; L4-L8 VanDerWaalsContact O-N 3.13Å |
| 5 | L | 51.5 | Low | 52.1 | Low | 106 Ų | 106 | 113 Ų | 113 | 56% | 0.555 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.8 | -37 | 174.4 | -75 | 162.5 | 0 | 0 | 0 | 111.6 | M1 C2 L8 S9 | M1-L5 PolarHBondContact O-N 3.34Å; C2-L5 WeakPolarHBondContact O-CA 3.34Å; C2-L5 WeakPolarHBondContact O-CB 3.27Å; C2-L5 PolarHBondContact O-N 3.17Å; L5-L8 PolarHBondContact O-N 3.48Å; L5-S9 PolarHBondContact O-N 2.93Å; L5-S9 PolarHBondContact O-OG 2.88Å |
| 6 | E | 50.9 | Low | 51.9 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -43.1 | 172.6 | -70.7 | 169.4 | 158 | 0 | 0 | 111.2 | C2 L8 S9 D10 | C2-E6 PolarHBondContact O-N 3.36Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 2.69Å; E6-S9 WeakPolarHBondContact CA-OG 3.44Å; E6-S9 PolarHBondContact O-N 3.1Å; E6-S9 PolarHBondContact O-OG 3.31Å; E6-D10 WeakPolarHBondContact O-CB 3.34Å; E6-D10 PolarHBondContact O-N 2.87Å |
| 7 | L | 51.6 | Low | 51.2 | Low | 92 Ų | 92 | 117.2 Ų | 117.2 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65 | -31.8 | 171.9 | -73.4 | 169.2 | 0 | 0 | 0 | 112.6 | V3 W11 | V3-L7 HydrophobicContact CG1-CD1 4.16Å; V3-L7 WeakPolarHBondContact O-CB 3.33Å; V3-L7 WeakPolarHBondContact O-CD1 3.39Å; V3-L7 VanDerWaalsContact O-CG 3.26Å; V3-L7 WeakPolarHBondContact O-CG 3.11Å; V3-L7 PolarHBondContact O-N 3.44Å; L7-W11 VanDerWaalsContact O-CB 3.27Å; L7-W11 WeakPolarHBondContact O-CB 3.3Å; L7-W11 PolarHBondContact O-N 2.68Å |
| 8 | L | 53.2 | Low | 50.7 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.3 | -34.8 | 172.9 | -90.9 | 163.1 | 0 | 0 | 0 | 112.6 | L4 L5 E6 L12 | L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 WeakPolarHBondContact O-CD1 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 2.84Å; L4-L8 VanDerWaalsContact O-N 3.13Å; L5-L8 PolarHBondContact O-N 3.48Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 2.69Å; L8-L12 VanDerWaalsContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 3.37Å |
| 9 | S | 54.3 | Low | 50.6 | Low | 56 Ų | 56 | 118.2 Ų | 118.2 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.1 | -42.1 | 172.6 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | L5 E6 W11 L12 Q13 | L5-S9 PolarHBondContact O-N 2.93Å; L5-S9 PolarHBondContact O-OG 2.88Å; E6-S9 WeakPolarHBondContact CA-OG 3.44Å; E6-S9 PolarHBondContact O-N 3.1Å; E6-S9 PolarHBondContact O-OG 3.31Å; S9-W11 PolarHBondContact O-N 3.43Å; S9-L12 CarbonylContact O-C 3.01Å; S9-L12 PolarHBondContact O-N 3.29Å; S9-Q13 VanDerWaalsContact O-CB 3.28Å; S9-Q13 WeakPolarHBondContact O-CB 3.38Å; S9-Q13 PolarHBondContact O-N 3.49Å |
| 10 | D | 53.3 | Low | 50.5 | Low | 92 Ų | 92 | 122.4 Ų | 122.4 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.8 | -36.3 | 176.1 | -75 | -13.6 | 0 | 0 | 0 | 111.6 | E6 Q13 L14 | E6-D10 WeakPolarHBondContact O-CB 3.34Å; E6-D10 PolarHBondContact O-N 2.87Å; D10-Q13 PolarHBondContact O-N 3.12Å; D10-L14 WeakPolarHBondContact O-CB 3.35Å; D10-L14 WeakPolarHBondContact O-CD1 3.47Å; D10-L14 VanDerWaalsContact O-CG 3.23Å; D10-L14 WeakPolarHBondContact O-CG 3.46Å; D10-L14 PolarHBondContact O-N 3.43Å |
| 11 | W | 56 | Low | 50.8 | Low | 182 Ų | 182 | 120.8 Ų | 120.8 | 69% | 0.689 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.6 | -35.5 | 170.8 | -89.5 | 74.3 | 0 | 0 | 0 | 112.9 | L7 S9 F15 | L7-W11 VanDerWaalsContact O-CB 3.27Å; L7-W11 WeakPolarHBondContact O-CB 3.3Å; L7-W11 PolarHBondContact O-N 2.68Å; S9-W11 PolarHBondContact O-N 3.43Å; W11-F15 WeakPolarHBondContact O-CB 3.3Å; W11-F15 PolarHBondContact O-N 3.26Å |
| 12 | L | 55 | Low | 51.7 | Low | 97 Ų | 97 | 116.1 Ų | 116.1 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.2 | -38.3 | 171.7 | -90.3 | 158.7 | 0 | 0 | 0 | 111.6 | L8 S9 F15 Y16 | L8-L12 VanDerWaalsContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 3.37Å; S9-L12 CarbonylContact O-C 3.01Å; S9-L12 PolarHBondContact O-N 3.29Å; L12-F15 PolarHBondContact O-N 2.98Å; L12-Y16 WeakPolarHBondContact O-CB 3.43Å; L12-Y16 WeakPolarHBondContact O-CD2 3.41Å; L12-Y16 PolarHBondContact O-N 3.17Å |
| 13 | Q | 49.8 | Very low | 52.9 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.2 | -44.6 | 174.7 | -151.2 | 96.6 | -0.5 | 0 | 0 | 110 | S9 D10 F15 Y16 L17 | S9-Q13 VanDerWaalsContact O-CB 3.28Å; S9-Q13 WeakPolarHBondContact O-CB 3.38Å; S9-Q13 PolarHBondContact O-N 3.49Å; D10-Q13 PolarHBondContact O-N 3.12Å; Q13-F15 VanDerWaalsContact C-N 3.35Å; Q13-Y16 CarbonylContact O-C 3.6Å; Q13-Y16 PolarHBondContact O-N 3.41Å; Q13-L17 HydrophobicContact CG-CD1 4.21Å; Q13-L17 WeakPolarHBondContact O-CB 3.32Å; Q13-L17 WeakPolarHBondContact O-CD1 3.12Å; Q13-L17 PolarHBondContact O-N 3.18Å |
| 14 | L | 48 | Very low | 54.2 | Low | 97 Ų | 97 | 113.2 Ų | 113.2 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.8 | -30.9 | 174.8 | -77.5 | 165.4 | 0 | 0 | 0 | 112.7 | D10 L17 L18 | D10-L14 WeakPolarHBondContact O-CB 3.35Å; D10-L14 WeakPolarHBondContact O-CD1 3.47Å; D10-L14 VanDerWaalsContact O-CG 3.23Å; D10-L14 WeakPolarHBondContact O-CG 3.46Å; D10-L14 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 3.35Å |
| 15 | F | 52.3 | Low | 55.5 | Low | 121 Ų | 121 | 110 Ų | 110 | 53% | 0.531 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.9 | -38.6 | 173.7 | -166.8 | -103.4 | 0 | 0 | 0 | 111.2 | W11 L12 Q13 L17 L18 I19 | W11-F15 WeakPolarHBondContact O-CB 3.3Å; W11-F15 PolarHBondContact O-N 3.26Å; L12-F15 PolarHBondContact O-N 2.98Å; Q13-F15 VanDerWaalsContact C-N 3.35Å; F15-L17 VanDerWaalsContact C-N 3.32Å; F15-L18 PolarHBondContact O-N 3.27Å; F15-I19 HydrophobicContact CD1-CD1 3.9Å; F15-I19 HydrophobicContact CD2-CD1 4.49Å; F15-I19 HydrophobicContact CE1-CD1 3.46Å; F15-I19 VanDerWaalsContact CE1-CD1 3.46Å; F15-I19 HydrophobicContact CE2-CD1 4.12Å; F15-I19 HydrophobicContact CG-CD1 4.4Å; F15-I19 HydrophobicContact CZ-CD1 3.59Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 2.98Å |
| 16 | Y | 48.1 | Very low | 57 | Low | 179 Ų | 179 | 105.6 Ų | 105.6 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -29.2 | 168.5 | -99.4 | -88.1 | 0 | 0 | 0 | 113 | L12 Q13 R20 | L12-Y16 WeakPolarHBondContact O-CB 3.43Å; L12-Y16 WeakPolarHBondContact O-CD2 3.41Å; L12-Y16 PolarHBondContact O-N 3.17Å; Q13-Y16 CarbonylContact O-C 3.6Å; Q13-Y16 PolarHBondContact O-N 3.41Å; Y16-R20 PolarHBondContact O-N 2.85Å |
| 17 | L | 40.3 | Very low | 58.6 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -79 | -31.4 | 169.6 | -93.3 | 90.9 | 0 | 0 | 0 | 112.5 | Q13 L14 F15 | Q13-L17 HydrophobicContact CG-CD1 4.21Å; Q13-L17 WeakPolarHBondContact O-CB 3.32Å; Q13-L17 WeakPolarHBondContact O-CD1 3.12Å; Q13-L17 PolarHBondContact O-N 3.18Å; L14-L17 PolarHBondContact O-N 2.85Å; F15-L17 VanDerWaalsContact C-N 3.32Å |
| 18 | L | 42 | Very low | 60.2 | Low | 139 Ų | 139 | 101.7 Ų | 101.7 | 73% | 0.728 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.7 | -28.4 | 174.9 | -116.2 | 71.5 | 0 | 0 | 0 | 112.7 | L14 F15 | L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 3.35Å; F15-L18 PolarHBondContact O-N 3.27Å |
| 19 | I | 49.7 | Very low | 61.7 | Low | 113 Ų | 113 | 98 Ų | 98 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 36.2 | 175.8 | -44.2 | 174.3 | 0 | 0 | 0 | 110.2 | F15 | F15-I19 HydrophobicContact CD1-CD1 3.9Å; F15-I19 HydrophobicContact CD2-CD1 4.49Å; F15-I19 HydrophobicContact CE1-CD1 3.46Å; F15-I19 VanDerWaalsContact CE1-CD1 3.46Å; F15-I19 HydrophobicContact CE2-CD1 4.12Å; F15-I19 HydrophobicContact CG-CD1 4.4Å; F15-I19 HydrophobicContact CZ-CD1 3.59Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 2.98Å |
| 20 | R | 48.8 | Very low | 63.2 | Low | 203 Ų | 203 | 95.3 Ų | 95.3 | 77% | 0.766 | 45% | 0.449 | S | S | * | . | trans | -99.6 | 100.1 | 140.2 | -77.6 | -162.7 | 179.1 | -137.6 | -0.4 | 107.4 | Y16 D22 | Y16-R20 PolarHBondContact O-N 2.85Å; R20-D22 PolarHBondContact O-N 3.28Å; R20-D22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | M | 56.7 | Low | 64.9 | Low | 88 Ų | 88 | 91.3 Ų | 91.3 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | trans | -55.4 | 122.4 | 157.1 | -66.1 | 175.6 | 75.9 | 0 | 0 | 106.5 | F23 S25 C26 A29 F98 | M21-F23 PolarHBondContact O-N 3.11Å; M21-S25 WeakPolarHBondContact CE-O 3.46Å; M21-C26 HydrophobicContact CB-CB 4.07Å; M21-A29 HydrophobicContact CE-CB 3.59Å; M21-F98 HydrophobicContact CE-CD1 4.21Å; M21-F98 HydrophobicContact CE-CE1 4.2Å; M21-F98 HydrophobicContact SD-CD1 3.93Å; M21-F98 HydrophobicContact SD-CE1 4.27Å | ||
| 22 | D | 69.1 | Low | 66.4 | Low | 94 Ų | 94 | 87.8 Ų | 87.8 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | trans | -45.8 | 138.9 | 167 | 158.3 | 40.7 | 0 | 0 | 0 | 108.7 | R20 Q24 S25 C26 | R20-D22 PolarHBondContact O-N 3.28Å; R20-D22 VanDerWaalsContact O-N 3.16Å; D22-Q24 PolarHBondContact O-N 2.73Å; D22-Q24 VanDerWaalsContact O-N 3.09Å; D22-Q24 PolarHBondContact OD1-N 2.7Å; D22-Q24 VanDerWaalsContact OD2-CB 3.31Å; D22-Q24 WeakPolarHBondContact OD2-CB 3.35Å; D22-S25 CarbonylContact O-C 3.31Å; D22-S25 VanDerWaalsContact O-CA 3.31Å; D22-S25 WeakPolarHBondContact O-CA 3.24Å; D22-S25 VanDerWaalsContact O-CB 3.29Å; D22-S25 WeakPolarHBondContact O-CB 3.42Å; D22-S25 PolarHBondContact O-N 3.27Å; D22-S25 PolarHBondContact OD2-OG 3.38Å; D22-C26 PolarHBondContact O-N 2.94Å | ||
| 23 | F | 77.1 | Confident | 68 | Low | 23 Ų | 23 | 88.4 Ų | 88.4 | 10% | 0.101 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -52.2 | -37.7 | -175 | 166.9 | -104.8 | 0 | 0 | 0 | 112 | M21 L27 R69 E75 E76 L79 | M21-F23 PolarHBondContact O-N 3.11Å; F23-L27 HydrophobicContact CD1-CD1 4.28Å; F23-L27 HydrophobicContact CD2-CD1 4.44Å; F23-L27 HydrophobicContact CE1-CD1 3.83Å; F23-L27 HydrophobicContact CE2-CD1 4.01Å; F23-L27 HydrophobicContact CE2-CG 4.44Å; F23-L27 HydrophobicContact CZ-CD1 3.68Å; F23-L27 WeakPolarHBondContact O-CG 3.43Å; F23-L27 PolarHBondContact O-N 3.5Å; F23-L27 VanDerWaalsContact O-N 3.09Å; F23-R69 HydrophobicContact CE1-CG 4.47Å; F23-R69 HydrophobicContact CZ-CG 4.43Å; F23-E75 VanDerWaalsContact CE2-C 3.43Å; F23-E75 WeakPolarHBondContact CE2-O 3.33Å; F23-E76 HydrophobicContact CB-CB 4.24Å; F23-E76 HydrophobicContact CB-CG 4.01Å; F23-E76 HydrophobicContact CD1-CB 4.37Å; F23-E76 HydrophobicContact CD2-CB 4.2Å; F23-E76 HydrophobicContact CG-CB 4.05Å; F23-E76 HydrophobicContact CG-CG 4.35Å; F23-L79 HydrophobicContact CD2-CD2 4.29Å; F23-L79 HydrophobicContact CE2-CD2 3.71Å |
| 24 | Q | 78.8 | Confident | 69.9 | Low | 108 Ų | 108 | 83 Ų | 83 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 173.2 | -163.3 | 98.9 | 7.1 | 0 | 0 | 112.5 | D22 Y28 | D22-Q24 PolarHBondContact O-N 2.73Å; D22-Q24 VanDerWaalsContact O-N 3.09Å; D22-Q24 PolarHBondContact OD1-N 2.7Å; D22-Q24 VanDerWaalsContact OD2-CB 3.31Å; D22-Q24 WeakPolarHBondContact OD2-CB 3.35Å; Q24-Y28 WeakPolarHBondContact O-CB 3.41Å; Q24-Y28 PolarHBondContact O-N 3.44Å |
| 25 | S | 79.7 | Confident | 71.7 | Confident | 55 Ų | 55 | 80.1 Ų | 80.1 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.3 | -35.9 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | M21 D22 Y28 A29 | M21-S25 WeakPolarHBondContact CE-O 3.46Å; D22-S25 CarbonylContact O-C 3.31Å; D22-S25 VanDerWaalsContact O-CA 3.31Å; D22-S25 WeakPolarHBondContact O-CA 3.24Å; D22-S25 VanDerWaalsContact O-CB 3.29Å; D22-S25 WeakPolarHBondContact O-CB 3.42Å; D22-S25 PolarHBondContact O-N 3.27Å; D22-S25 PolarHBondContact OD2-OG 3.38Å; S25-Y28 PolarHBondContact O-N 2.87Å; S25-A29 PolarHBondContact O-N 3.32Å |
| 26 | C | 82.8 | Confident | 73.3 | Confident | 13 Ų | 13 | 79.2 Ų | 79.2 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -51.7 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | M21 D22 Y28 A29 I30 | M21-C26 HydrophobicContact CB-CB 4.07Å; D22-C26 PolarHBondContact O-N 2.94Å; C26-Y28 VanDerWaalsContact C-N 3.28Å; C26-Y28 PolarHBondContact O-N 2.68Å; C26-A29 PolarHBondContact O-N 3.49Å; C26-I30 WeakPolarHBondContact O-CG1 3.13Å; C26-I30 PolarHBondContact O-N 3.38Å |
| 27 | L | 84.8 | Confident | 75 | Confident | 10 Ų | 10 | 78.7 Ų | 78.7 | 5% | 0.052 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 175.9 | -70.6 | 176.6 | 0 | 0 | 0 | 112.6 | F23 A31 F65 L74 L82 | F23-L27 HydrophobicContact CD1-CD1 4.28Å; F23-L27 HydrophobicContact CD2-CD1 4.44Å; F23-L27 HydrophobicContact CE1-CD1 3.83Å; F23-L27 HydrophobicContact CE2-CD1 4.01Å; F23-L27 HydrophobicContact CE2-CG 4.44Å; F23-L27 HydrophobicContact CZ-CD1 3.68Å; F23-L27 WeakPolarHBondContact O-CG 3.43Å; F23-L27 PolarHBondContact O-N 3.5Å; F23-L27 VanDerWaalsContact O-N 3.09Å; L27-A31 VanDerWaalsContact O-CB 3.24Å; L27-A31 WeakPolarHBondContact O-CB 3.22Å; L27-A31 PolarHBondContact O-N 2.85Å; L27-F65 HydrophobicContact CB-CD2 4.15Å; L27-F65 HydrophobicContact CD2-CB 4.46Å; L27-F65 HydrophobicContact CD2-CD2 4.02Å; L27-F65 HydrophobicContact CD2-CE2 4.48Å; L27-F65 HydrophobicContact CD2-CG 4.25Å; L27-L74 HydrophobicContact CD2-CD1 4.44Å; L27-L82 HydrophobicContact CD2-CD2 3.62Å |
| 28 | Y | 85.1 | Confident | 77.2 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -50.4 | 174.8 | 179.2 | -98.8 | 0 | 0 | 0 | 111.7 | Q24 S25 C26 I30 A31 E32 Q62 | Q24-Y28 WeakPolarHBondContact O-CB 3.41Å; Q24-Y28 PolarHBondContact O-N 3.44Å; S25-Y28 PolarHBondContact O-N 2.87Å; C26-Y28 VanDerWaalsContact C-N 3.28Å; C26-Y28 PolarHBondContact O-N 2.68Å; Y28-I30 PolarHBondContact O-N 3.2Å; Y28-A31 WeakPolarHBondContact O-CB 3.45Å; Y28-A31 PolarHBondContact O-N 3.21Å; Y28-E32 HydrophobicContact CD1-CG 4.22Å; Y28-E32 HydrophobicContact CE1-CG 3.71Å; Y28-E32 HydrophobicContact CE2-CG 4.12Å; Y28-E32 WeakPolarHBondContact CE2-OE1 3.43Å; Y28-E32 WeakPolarHBondContact O-CG 3.49Å; Y28-E32 PolarHBondContact O-N 2.81Å; Y28-E32 VanDerWaalsContact OH-CD 3.23Å; Y28-E32 PolarHBondContact OH-OE1 3.47Å; Y28-E32 PolarHBondContact OH-OE2 3.18Å; Y28-Q62 HydrophobicContact CD2-CG 4.43Å |
| 29 | A | 83.7 | Confident | 79.5 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M21 S25 C26 A31 E32 E33 F98 | M21-A29 HydrophobicContact CE-CB 3.59Å; S25-A29 PolarHBondContact O-N 3.32Å; C26-A29 PolarHBondContact O-N 3.49Å; A29-A31 VanDerWaalsContact C-N 3.28Å; A29-A31 PolarHBondContact O-N 3.42Å; A29-E32 PolarHBondContact O-N 3.23Å; A29-E33 WeakPolarHBondContact O-CG 3.5Å; A29-E33 PolarHBondContact O-N 3.44Å; A29-F98 HydrophobicContact CB-CD1 4.14Å; A29-F98 HydrophobicContact CB-CE1 3.56Å; A29-F98 HydrophobicContact CB-CZ 3.93Å |
| 30 | I | 86.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 172.5 | -67 | 170.7 | 0 | 0 | 0 | 110.4 | C26 Y28 E33 L34 F65 L82 L86 L94 F98 L99 | C26-I30 WeakPolarHBondContact O-CG1 3.13Å; C26-I30 PolarHBondContact O-N 3.38Å; Y28-I30 PolarHBondContact O-N 3.2Å; I30-E33 PolarHBondContact O-N 3.11Å; I30-L34 HydrophobicContact CG2-CD1 4Å; I30-L34 WeakPolarHBondContact O-CD1 3.25Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-F65 HydrophobicContact CB-CE2 4.23Å; I30-F65 HydrophobicContact CG2-CE2 3.82Å; I30-F65 HydrophobicContact CG2-CZ 3.8Å; I30-L82 HydrophobicContact CD1-CD2 3.92Å; I30-L86 HydrophobicContact CG2-CD1 4.14Å; I30-L86 HydrophobicContact CG2-CD2 4.38Å; I30-L94 HydrophobicContact CG2-CD1 4.21Å; I30-F98 HydrophobicContact CD1-CB 3.82Å; I30-F98 HydrophobicContact CD1-CG 4.5Å; I30-F98 HydrophobicContact CG1-CB 3.68Å; I30-F98 HydrophobicContact CG1-CD2 3.86Å; I30-F98 HydrophobicContact CG1-CG 3.82Å; I30-L99 HydrophobicContact CD1-CD1 4.19Å; I30-L99 HydrophobicContact CD1-CD2 3.89Å; I30-L99 HydrophobicContact CD1-CG 3.97Å |
| 31 | A | 88.1 | Confident | 83.2 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71 | -33.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L27 Y28 A29 E33 L34 A61 Q62 F65 | L27-A31 VanDerWaalsContact O-CB 3.24Å; L27-A31 WeakPolarHBondContact O-CB 3.22Å; L27-A31 PolarHBondContact O-N 2.85Å; Y28-A31 WeakPolarHBondContact O-CB 3.45Å; Y28-A31 PolarHBondContact O-N 3.21Å; A29-A31 VanDerWaalsContact C-N 3.28Å; A29-A31 PolarHBondContact O-N 3.42Å; A31-E33 VanDerWaalsContact C-N 3.3Å; A31-L34 PolarHBondContact O-N 3.13Å; A31-A61 HydrophobicContact CB-CB 3.81Å; A31-Q62 HydrophobicContact CB-CB 4.37Å; A31-Q62 HydrophobicContact CB-CG 3.47Å; A31-Q62 VanDerWaalsContact CB-CG 3.47Å; A31-F65 HydrophobicContact CB-CD2 4.06Å; A31-F65 HydrophobicContact CB-CE2 3.83Å |
| 32 | E | 88.8 | Confident | 84.7 | Confident | 109 Ų | 109 | 51.7 Ų | 51.7 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.3 | -29.8 | 175.8 | -66.4 | -67.4 | 113 | 0 | 0 | 112.3 | Y28 A29 Q62 | Y28-E32 HydrophobicContact CD1-CG 4.22Å; Y28-E32 HydrophobicContact CE1-CG 3.71Å; Y28-E32 HydrophobicContact CE2-CG 4.12Å; Y28-E32 WeakPolarHBondContact CE2-OE1 3.43Å; Y28-E32 WeakPolarHBondContact O-CG 3.49Å; Y28-E32 PolarHBondContact O-N 2.81Å; Y28-E32 VanDerWaalsContact OH-CD 3.23Å; Y28-E32 PolarHBondContact OH-OE1 3.47Å; Y28-E32 PolarHBondContact OH-OE2 3.18Å; A29-E32 PolarHBondContact O-N 3.23Å; E32-Q62 PolarHBondContact OE1-NE2 3.45Å |
| 33 | E | 88.3 | Confident | 85.7 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -5.1 | 179.3 | -65.3 | -68.6 | 157.8 | 0 | 0 | 113.6 | A29 I30 A31 R91 L94 F98 | A29-E33 WeakPolarHBondContact O-CG 3.5Å; A29-E33 PolarHBondContact O-N 3.44Å; I30-E33 PolarHBondContact O-N 3.11Å; A31-E33 VanDerWaalsContact C-N 3.3Å; E33-R91 PolarHBondContact O-NH1 3.22Å; E33-R91 PolarHBondContact O-NH2 3.39Å; E33-L94 HydrophobicContact CB-CD1 4.28Å; E33-L94 HydrophobicContact CB-CD2 3.57Å; E33-L94 HydrophobicContact CG-CD2 4.01Å; E33-F98 HydrophobicContact CG-CE2 4.37Å |
| 34 | L | 89.6 | Confident | 86.3 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | trans | -94.9 | 119.8 | -178.9 | -73.3 | 165.3 | 0 | 0 | 0 | 111.5 | I30 A31 D38 L42 A61 F65 L86 I89 R91 L94 | I30-L34 HydrophobicContact CG2-CD1 4Å; I30-L34 WeakPolarHBondContact O-CD1 3.25Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; A31-L34 PolarHBondContact O-N 3.13Å; L34-D38 HydrophobicContact CB-CB 4.19Å; L34-D38 HydrophobicContact CD2-CB 3.6Å; L34-L42 HydrophobicContact CD1-CD1 3.72Å; L34-L42 HydrophobicContact CD2-CD1 4.07Å; L34-L42 HydrophobicContact CG-CD1 4.48Å; L34-A61 HydrophobicContact CB-CB 4.11Å; L34-A61 HydrophobicContact CD1-CB 3.98Å; L34-F65 HydrophobicContact CD1-CE2 4.23Å; L34-F65 HydrophobicContact CD1-CZ 3.6Å; L34-L86 HydrophobicContact CD2-CD2 4.1Å; L34-I89 HydrophobicContact CD2-CD1 3.7Å; L34-R91 HydrophobicContact CD2-CG 4.32Å; L34-L94 HydrophobicContact CD2-CD1 3.77Å; L34-L94 HydrophobicContact CG-CD1 3.91Å | ||
| 35 | G | 86.7 | Confident | 86.7 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 38% | 0.381 | 24% | 0.243 | S | C | . | . | trans | -76.1 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E37 D38 L39 | G35-E37 VanDerWaalsContact C-N 3.31Å; G35-E37 PolarHBondContact O-N 3.46Å; G35-D38 PolarHBondContact N-OD2 3.31Å; G35-D38 PolarHBondContact O-N 2.84Å; G35-L39 WeakPolarHBondContact O-CB 3.44Å; G35-L39 PolarHBondContact O-N 3.22Å | ||
| 36 | S | 84.8 | Confident | 87.2 | Confident | 102 Ų | 102 | 41 Ų | 41 | 71% | 0.713 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.3 | -34.5 | 175.6 | 49 | 0 | 0 | 0 | 0 | 113.1 | A40 | S36-A40 PolarHBondContact O-N 2.8Å |
| 37 | E | 83.2 | Confident | 87.4 | Confident | 167 Ų | 167 | 41.2 Ų | 41.2 | 78% | 0.78 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -70.3 | -47.7 | 176.3 | -65.6 | 176.2 | 174 | 0 | 0 | 110.7 | G35 L39 A40 A41 | G35-E37 VanDerWaalsContact C-N 3.31Å; G35-E37 PolarHBondContact O-N 3.46Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 2.69Å; E37-A40 WeakPolarHBondContact O-CB 3.48Å; E37-A40 PolarHBondContact O-N 3.26Å; E37-A40 VanDerWaalsContact O-N 3.11Å; E37-A41 PolarHBondContact O-N 2.77Å |
| 38 | D | 88.2 | Confident | 87.4 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.5 | -44.5 | 172.4 | -62.4 | -56.8 | 0 | 0 | 0 | 111.3 | L34 G35 A40 A41 L42 I89 R91 | L34-D38 HydrophobicContact CB-CB 4.19Å; L34-D38 HydrophobicContact CD2-CB 3.6Å; G35-D38 PolarHBondContact N-OD2 3.31Å; G35-D38 PolarHBondContact O-N 2.84Å; D38-A40 VanDerWaalsContact C-N 3.33Å; D38-A40 PolarHBondContact O-N 3.36Å; D38-A41 PolarHBondContact O-N 3.42Å; D38-L42 WeakPolarHBondContact O-CB 3.34Å; D38-L42 VanDerWaalsContact O-CG 3.23Å; D38-L42 WeakPolarHBondContact O-CG 3.08Å; D38-L42 PolarHBondContact O-N 2.89Å; D38-I89 HydrophobicContact CB-CD1 4.07Å; D38-R91 IonicContact OD1-NH1 3.23Å; D38-R91 IonicContact OD2-NH1 2.74Å; D38-R91 PolarHBondContact OD2-NH1 2.8Å |
| 39 | L | 88.6 | Confident | 87.3 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 178.5 | -179.8 | 61.2 | 0 | 0 | 0 | 112.3 | G35 E37 K43 E59 A61 L64 | G35-L39 WeakPolarHBondContact O-CB 3.44Å; G35-L39 PolarHBondContact O-N 3.22Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 2.69Å; L39-K43 HydrophobicContact CD1-CG 4.45Å; L39-K43 HydrophobicContact CG-CD 4.25Å; L39-K43 VanDerWaalsContact O-CB 3.27Å; L39-K43 WeakPolarHBondContact O-CB 3.21Å; L39-K43 WeakPolarHBondContact O-CD 3.2Å; L39-K43 WeakPolarHBondContact O-CG 3.27Å; L39-K43 PolarHBondContact O-N 3.32Å; L39-E59 WeakPolarHBondContact CD2-O 3.18Å; L39-A61 HydrophobicContact CD1-CB 4.33Å; L39-L64 HydrophobicContact CD1-CB 4.31Å; L39-L64 HydrophobicContact CD1-CD2 4.07Å |
| 40 | A | 87.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S36 E37 D38 K43 F44 | S36-A40 PolarHBondContact O-N 2.8Å; E37-A40 WeakPolarHBondContact O-CB 3.48Å; E37-A40 PolarHBondContact O-N 3.26Å; E37-A40 VanDerWaalsContact O-N 3.11Å; D38-A40 VanDerWaalsContact C-N 3.33Å; D38-A40 PolarHBondContact O-N 3.36Å; A40-K43 WeakPolarHBondContact O-CB 3.28Å; A40-K43 PolarHBondContact O-N 3.01Å; A40-F44 PolarHBondContact O-N 3.32Å |
| 41 | A | 89.2 | Confident | 87 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E37 D38 K43 F44 L45 I89 F126 | E37-A41 PolarHBondContact O-N 2.77Å; D38-A41 PolarHBondContact O-N 3.42Å; A41-K43 PolarHBondContact O-N 3.29Å; A41-F44 PolarHBondContact O-N 2.86Å; A41-L45 WeakPolarHBondContact O-CG 3.34Å; A41-L45 PolarHBondContact O-N 3.26Å; A41-I89 HydrophobicContact CB-CG2 3.61Å; A41-F126 HydrophobicContact CB-CD2 4.19Å; A41-F126 HydrophobicContact CB-CE2 3.4Å; A41-F126 VanDerWaalsContact CB-CE2 3.4Å; A41-F126 HydrophobicContact CB-CZ 3.95Å |
| 42 | L | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.2 | -69.5 | 173.9 | 0 | 0 | 0 | 112.1 | L34 D38 L45 C46 L64 L85 I89 | L34-L42 HydrophobicContact CD1-CD1 3.72Å; L34-L42 HydrophobicContact CD2-CD1 4.07Å; L34-L42 HydrophobicContact CG-CD1 4.48Å; D38-L42 WeakPolarHBondContact O-CB 3.34Å; D38-L42 VanDerWaalsContact O-CG 3.23Å; D38-L42 WeakPolarHBondContact O-CG 3.08Å; D38-L42 PolarHBondContact O-N 2.89Å; L42-L45 PolarHBondContact O-N 2.69Å; L42-C46 VanDerWaalsContact O-CB 3.29Å; L42-C46 WeakPolarHBondContact O-CB 3.44Å; L42-C46 PolarHBondContact O-N 3.42Å; L42-C46 PolarHBondContact O-SG 3.03Å; L42-L64 HydrophobicContact CB-CD2 3.61Å; L42-L64 HydrophobicContact CD1-CD2 4.47Å; L42-L85 HydrophobicContact CD2-CB 3.66Å; L42-L85 HydrophobicContact CD2-CD1 4.31Å; L42-L85 HydrophobicContact CD2-CD2 3.87Å; L42-L85 HydrophobicContact CD2-CG 4.16Å; L42-I89 HydrophobicContact CD1-CD1 4.23Å; L42-I89 HydrophobicContact CD2-CD1 3.98Å; L42-I89 HydrophobicContact CD2-CG1 4.44Å; L42-I89 HydrophobicContact CD2-CG2 4.12Å; L42-I89 HydrophobicContact CG-CD1 4.02Å; L42-I89 HydrophobicContact CG-CG2 4.37Å |
| 43 | K | 88.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.4 | -50 | 171.9 | -83.4 | 169.8 | 179.4 | 173.3 | 0 | 111.1 | L39 A40 A41 C46 L47 Q55 I58 | L39-K43 HydrophobicContact CD1-CG 4.45Å; L39-K43 HydrophobicContact CG-CD 4.25Å; L39-K43 VanDerWaalsContact O-CB 3.27Å; L39-K43 WeakPolarHBondContact O-CB 3.21Å; L39-K43 WeakPolarHBondContact O-CD 3.2Å; L39-K43 WeakPolarHBondContact O-CG 3.27Å; L39-K43 PolarHBondContact O-N 3.32Å; A40-K43 WeakPolarHBondContact O-CB 3.28Å; A40-K43 PolarHBondContact O-N 3.01Å; A41-K43 PolarHBondContact O-N 3.29Å; K43-C46 CarbonylContact O-C 3.59Å; K43-C46 PolarHBondContact O-N 2.95Å; K43-L47 PolarHBondContact O-N 2.73Å; K43-Q55 PolarHBondContact O-NE2 2.94Å; K43-Q55 PolarHBondContact O-OE1 2.92Å; K43-I58 WeakPolarHBondContact CE-O 3.16Å; K43-I58 PolarHBondContact NZ-O 2.83Å |
| 44 | F | 90.2 | Very high | 85.1 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 179.6 | -178.4 | -92.8 | 0 | 0 | 0 | 112.3 | A40 A41 C46 L47 L125 F126 L160 F163 V164 | A40-F44 PolarHBondContact O-N 3.32Å; A41-F44 PolarHBondContact O-N 2.86Å; F44-C46 PolarHBondContact O-N 3.3Å; F44-L47 HydrophobicContact CD2-CD1 3.68Å; F44-L47 HydrophobicContact CE2-CD1 4.14Å; F44-L47 HydrophobicContact CG-CD1 4.24Å; F44-L47 WeakPolarHBondContact O-CB 3.26Å; F44-L47 WeakPolarHBondContact O-CD1 3.07Å; F44-L47 WeakPolarHBondContact O-CG 3.43Å; F44-L47 PolarHBondContact O-N 2.68Å; F44-L47 VanDerWaalsContact O-N 3.12Å; F44-L125 HydrophobicContact CE1-CB 3.86Å; F44-L125 HydrophobicContact CZ-CB 3.65Å; F44-L125 HydrophobicContact CZ-CD1 3.91Å; F44-L125 HydrophobicContact CZ-CG 4.46Å; F44-F126 HydrophobicContact CD1-CB 4.34Å; F44-F126 HydrophobicContact CE1-CB 4.35Å; F44-L160 HydrophobicContact CB-CB 4.49Å; F44-L160 HydrophobicContact CB-CD1 4.03Å; F44-L160 HydrophobicContact CB-CD2 4.41Å; F44-L160 HydrophobicContact CD1-CD2 3.72Å; F44-L160 HydrophobicContact CD2-CB 3.9Å; F44-L160 HydrophobicContact CD2-CD2 3.87Å; F44-L160 HydrophobicContact CD2-CG 4.37Å; F44-L160 HydrophobicContact CE1-CD2 3.87Å; F44-L160 HydrophobicContact CE2-CB 4.41Å; F44-L160 HydrophobicContact CE2-CD2 4.01Å; F44-L160 HydrophobicContact CG-CB 4.24Å; F44-L160 HydrophobicContact CG-CD1 4.25Å; F44-L160 HydrophobicContact CG-CD2 3.72Å; F44-L160 HydrophobicContact CG-CG 4.29Å; F44-L160 HydrophobicContact CZ-CD2 4.01Å; F44-F163 HydrophobicContact CE2-CB 4.16Å; F44-F163 HydrophobicContact CZ-CB 4.45Å; F44-F163 HydrophobicContact CZ-CD2 4.37Å; F44-V164 HydrophobicContact CD2-CG2 3.91Å; F44-V164 HydrophobicContact CE2-CG2 3.98Å |
| 45 | L | 88.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -30.9 | 177.8 | -65.8 | 172.9 | 0 | 0 | 0 | 112.4 | A41 L42 L85 H88 I89 I118 R122 F126 | A41-L45 WeakPolarHBondContact O-CG 3.34Å; A41-L45 PolarHBondContact O-N 3.26Å; L42-L45 PolarHBondContact O-N 2.69Å; L45-L85 HydrophobicContact CB-CD2 3.73Å; L45-L85 HydrophobicContact CD1-CD2 4.19Å; L45-H88 HydrophobicContact CD1-CB 3.82Å; L45-I89 HydrophobicContact CD1-CG2 3.96Å; L45-I118 HydrophobicContact CB-CD1 4.35Å; L45-I118 HydrophobicContact CB-CG2 4.41Å; L45-I118 HydrophobicContact CD2-CG2 4.21Å; L45-R122 HydrophobicContact CD2-CB 4.37Å; L45-F126 HydrophobicContact CD2-CB 3.84Å; L45-F126 HydrophobicContact CD2-CG 4.17Å |
| 46 | C | 89 | Confident | 84 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.6 | 176.8 | -66.1 | 0 | 0 | 0 | 0 | 115.2 | L42 K43 F44 D48 Y49 I50 | L42-C46 VanDerWaalsContact O-CB 3.29Å; L42-C46 WeakPolarHBondContact O-CB 3.44Å; L42-C46 PolarHBondContact O-N 3.42Å; L42-C46 PolarHBondContact O-SG 3.03Å; K43-C46 CarbonylContact O-C 3.59Å; K43-C46 PolarHBondContact O-N 2.95Å; F44-C46 PolarHBondContact O-N 3.3Å; C46-D48 VanDerWaalsContact C-N 3.27Å; C46-D48 PolarHBondContact O-N 2.76Å; C46-Y49 PolarHBondContact O-N 2.98Å; C46-I50 PolarHBondContact O-N 3.21Å |
| 47 | L | 86.3 | Confident | 83.8 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -33.4 | -172.3 | -83.4 | 167.3 | 0 | 0 | 0 | 114.4 | K43 F44 Y49 I50 H52 V164 | K43-L47 PolarHBondContact O-N 2.73Å; F44-L47 HydrophobicContact CD2-CD1 3.68Å; F44-L47 HydrophobicContact CE2-CD1 4.14Å; F44-L47 HydrophobicContact CG-CD1 4.24Å; F44-L47 WeakPolarHBondContact O-CB 3.26Å; F44-L47 WeakPolarHBondContact O-CD1 3.07Å; F44-L47 WeakPolarHBondContact O-CG 3.43Å; F44-L47 PolarHBondContact O-N 2.68Å; F44-L47 VanDerWaalsContact O-N 3.12Å; L47-Y49 PolarHBondContact O-N 3.38Å; L47-I50 CarbonylContact O-C 3.55Å; L47-H52 HydrophobicContact CD2-CB 4.06Å; L47-V164 HydrophobicContact CD1-CG2 3.46Å; L47-V164 VanDerWaalsContact CD1-CG2 3.46Å |
| 48 | D | 84.8 | Confident | 83.8 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -24.4 | -180 | -58.5 | -18.9 | 0 | 0 | 0 | 111.6 | C46 S119 R122 | C46-D48 VanDerWaalsContact C-N 3.27Å; C46-D48 PolarHBondContact O-N 2.76Å; D48-S119 WeakPolarHBondContact OD2-CB 3.4Å; D48-S119 PolarHBondContact OD2-OG 3.21Å; D48-R122 IonicContact OD1-CZ 3.28Å; D48-R122 VanDerWaalsContact OD1-CZ 3.28Å; D48-R122 IonicContact OD1-NE 2.76Å; D48-R122 PolarHBondContact OD1-NE 3.48Å; D48-R122 IonicContact OD1-NH2 2.79Å; D48-R122 PolarHBondContact OD1-NH2 2.97Å; D48-R122 WeakPolarHBondContact OD2-CG 3.45Å; D48-R122 IonicContact OD2-NE 2.95Å |
| 49 | Y | 83.8 | Confident | 83.6 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 29% | 0.29 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -36.6 | -179.5 | -66.4 | -75.6 | 0 | 0 | 0 | 113.7 | C46 L47 M73 F81 Q117 | C46-Y49 PolarHBondContact O-N 2.98Å; L47-Y49 PolarHBondContact O-N 3.38Å; Y49-M73 HydrophobicContact CD1-CG 4.36Å; Y49-M73 HydrophobicContact CD1-SD 3.51Å; Y49-M73 VanDerWaalsContact CD1-SD 3.51Å; Y49-M73 HydrophobicContact CE1-SD 3.55Å; Y49-M73 VanDerWaalsContact CE1-SD 3.55Å; Y49-M73 HydrophobicContact CG-SD 4.28Å; Y49-F81 HydrophobicContact CD2-CE2 4.02Å; Y49-F81 AromaticContact CD2-CZ 3.77Å; Y49-F81 HydrophobicContact CD2-CZ 3.77Å; Y49-F81 AromaticContact CE2-CE2 3.78Å; Y49-F81 HydrophobicContact CE2-CE2 3.78Å; Y49-F81 HydrophobicContact CE2-CZ 4.04Å; Y49-F81 HydrophobicContact CG-CZ 4.47Å; Y49-Q117 PolarHBondContact OH-O 3.23Å |
| 50 | I | 83.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -124.7 | 99.4 | 178.7 | -54.8 | 177.3 | 0 | 0 | 0 | 107.9 | C46 L47 K54 Q55 I58 L64 R67 L68 | C46-I50 PolarHBondContact O-N 3.21Å; L47-I50 CarbonylContact O-C 3.55Å; I50-K54 HydrophobicContact CG2-CB 3.93Å; I50-Q55 HydrophobicContact CB-CG 4.19Å; I50-Q55 HydrophobicContact CG2-CG 3.64Å; I50-Q55 WeakPolarHBondContact O-CG 3.15Å; I50-Q55 PolarHBondContact O-NE2 3.39Å; I50-I58 HydrophobicContact CG2-CD1 4.38Å; I50-L64 HydrophobicContact CD1-CD1 3.97Å; I50-R67 HydrophobicContact CD1-CB 3.85Å; I50-L68 HydrophobicContact CD1-CD2 3.63Å; I50-L68 HydrophobicContact CD1-CG 3.88Å; I50-L68 HydrophobicContact CG1-CD2 4.21Å |
| 51 | P | 79.9 | Confident | 83.6 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | trans | -59 | 142.5 | -179.6 | -26.4 | 34.6 | 0 | 0 | 0 | 112.6 | K53 K54 Q55 | P51-K53 PolarHBondContact O-N 3.24Å; P51-K54 PolarHBondContact O-N 2.66Å; P51-Q55 PolarHBondContact O-N 3.41Å | ||
| 52 | H | 76 | Confident | 83.4 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -34.6 | -48.3 | -179.2 | -174.3 | -78.9 | 0 | 0 | 0 | 115.2 | L47 K54 Q55 E56 V164 K168 | L47-H52 HydrophobicContact CD2-CB 4.06Å; H52-K54 PolarHBondContact O-N 2.65Å; H52-K54 VanDerWaalsContact O-N 3.09Å; H52-Q55 CarbonylContact O-C 3.14Å; H52-Q55 WeakPolarHBondContact O-CA 3.45Å; H52-Q55 WeakPolarHBondContact O-CB 3.44Å; H52-Q55 PolarHBondContact O-N 3.07Å; H52-E56 IonicContact CE1-OE1 2.74Å; H52-E56 PolarHBondContact CE1-OE1 2.75Å; H52-E56 VanDerWaalsContact CE1-OE1 3.24Å; H52-E56 IonicContact CG-OE1 2.66Å; H52-E56 IonicContact ND1-OE1 2.66Å; H52-E56 PolarHBondContact ND1-OE1 3.2Å; H52-E56 PolarHBondContact O-N 2.92Å; H52-V164 VanDerWaalsContact CD2-CG1 3.45Å; H52-V164 WeakPolarHBondContact CD2-CG1 3.39Å; H52-K168 PolarHBondContact CE1-NZ 3.45Å; H52-K168 PolarHBondContact NE2-NZ 3.48Å |
| 53 | K | 73.4 | Confident | 83.3 | Confident | 141 Ų | 141 | 57.1 Ų | 57.1 | 61% | 0.613 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.6 | -21.2 | -179.2 | -61.4 | -164.3 | 175.7 | -156.3 | 0 | 115.1 | P51 E56 | P51-K53 PolarHBondContact O-N 3.24Å; K53-E56 WeakPolarHBondContact CA-OE1 3.47Å |
| 54 | K | 76.8 | Confident | 83.3 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -91.7 | -26.2 | 172 | -66.4 | -169.8 | 174.8 | -170.4 | 0 | 111.7 | I50 P51 H52 T57 R67 | I50-K54 HydrophobicContact CG2-CB 3.93Å; P51-K54 PolarHBondContact O-N 2.66Å; H52-K54 PolarHBondContact O-N 2.65Å; H52-K54 VanDerWaalsContact O-N 3.09Å; K54-T57 PolarHBondContact O-N 2.97Å; K54-T57 PolarHBondContact O-OG1 3.47Å; K54-R67 PolarHBondContact O-NH1 3.49Å; K54-R67 VanDerWaalsContact O-NH1 3.09Å |
| 55 | Q | 78.4 | Confident | 83.3 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.4 | -26.2 | 174.5 | -55.7 | -171 | -7.6 | 0 | 0 | 113.3 | K43 I50 P51 H52 T57 I58 | K43-Q55 PolarHBondContact O-NE2 2.94Å; K43-Q55 PolarHBondContact O-OE1 2.92Å; I50-Q55 HydrophobicContact CB-CG 4.19Å; I50-Q55 HydrophobicContact CG2-CG 3.64Å; I50-Q55 WeakPolarHBondContact O-CG 3.15Å; I50-Q55 PolarHBondContact O-NE2 3.39Å; P51-Q55 PolarHBondContact O-N 3.41Å; H52-Q55 CarbonylContact O-C 3.14Å; H52-Q55 WeakPolarHBondContact O-CA 3.45Å; H52-Q55 WeakPolarHBondContact O-CB 3.44Å; H52-Q55 PolarHBondContact O-N 3.07Å; Q55-T57 PolarHBondContact O-N 2.82Å; Q55-T57 VanDerWaalsContact O-N 3.1Å; Q55-I58 HydrophobicContact CB-CD1 4.46Å; Q55-I58 HydrophobicContact CG-CD1 4.46Å; Q55-I58 WeakPolarHBondContact O-CB 3.45Å; Q55-I58 PolarHBondContact O-N 3.47Å |
| 56 | E | 74.9 | Confident | 83.1 | Confident | 126 Ų | 126 | 58.8 Ų | 58.8 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.8 | 170.7 | -72.8 | 162.1 | -142.1 | 0 | 0 | 112.9 | H52 K53 | H52-E56 IonicContact CE1-OE1 2.74Å; H52-E56 PolarHBondContact CE1-OE1 2.75Å; H52-E56 VanDerWaalsContact CE1-OE1 3.24Å; H52-E56 IonicContact CG-OE1 2.66Å; H52-E56 IonicContact ND1-OE1 2.66Å; H52-E56 PolarHBondContact ND1-OE1 3.2Å; H52-E56 PolarHBondContact O-N 2.92Å; K53-E56 WeakPolarHBondContact CA-OE1 3.47Å |
| 57 | T | 79.1 | Confident | 82.9 | Confident | 73 Ų | 73 | 62.1 Ų | 62.1 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.3 | 176.3 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | K54 Q55 R67 | K54-T57 PolarHBondContact O-N 2.97Å; K54-T57 PolarHBondContact O-OG1 3.47Å; Q55-T57 PolarHBondContact O-N 2.82Å; Q55-T57 VanDerWaalsContact O-N 3.1Å; T57-R67 PolarHBondContact OG1-NH1 3.2Å; T57-R67 PolarHBondContact OG1-NH2 2.85Å |
| 58 | I | 85.1 | Confident | 82.9 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | trans | -101.9 | 98.9 | -176.8 | -59.5 | 178.6 | 0 | 0 | 0 | 107.4 | K43 I50 Q55 D60 K63 L64 R67 | K43-I58 WeakPolarHBondContact CE-O 3.16Å; K43-I58 PolarHBondContact NZ-O 2.83Å; I50-I58 HydrophobicContact CG2-CD1 4.38Å; Q55-I58 HydrophobicContact CB-CD1 4.46Å; Q55-I58 HydrophobicContact CG-CD1 4.46Å; Q55-I58 WeakPolarHBondContact O-CB 3.45Å; Q55-I58 PolarHBondContact O-N 3.47Å; I58-D60 WeakPolarHBondContact CG2-O 3.33Å; I58-K63 HydrophobicContact CG2-CB 4Å; I58-L64 HydrophobicContact CD1-CD1 3.78Å; I58-L64 HydrophobicContact CG2-CB 3.77Å; I58-L64 HydrophobicContact CG2-CD1 4.4Å; I58-R67 HydrophobicContact CD1-CB 4.25Å; I58-R67 HydrophobicContact CD1-CG 4.05Å; I58-R67 HydrophobicContact CG1-CG 4.38Å | ||
| 59 | E | 83.8 | Confident | 82.9 | Confident | 147 Ų | 147 | 61.8 Ų | 61.8 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | trans | -87.8 | -20.6 | -177.2 | -64.6 | 162.1 | 166.5 | 0 | 0 | 112.5 | L39 K63 | L39-E59 WeakPolarHBondContact CD2-O 3.18Å; E59-K63 HydrophobicContact CB-CD 4.4Å; E59-K63 IonicContact OE2-NZ 3.28Å; E59-K63 PolarHBondContact OE2-NZ 3.41Å | ||
| 60 | D | 87.2 | Confident | 82.9 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -145.4 | 165.4 | -171.9 | 55.7 | 68.1 | 0 | 0 | 0 | 111.5 | I58 Q62 K63 L64 | I58-D60 WeakPolarHBondContact CG2-O 3.33Å; D60-Q62 VanDerWaalsContact C-N 3.3Å; D60-Q62 PolarHBondContact O-N 3.29Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.45Å; D60-Q62 PolarHBondContact OD1-N 3.12Å; D60-K63 PolarHBondContact O-N 2.67Å; D60-K63 WeakPolarHBondContact OD1-CB 3.38Å; D60-K63 WeakPolarHBondContact OD1-CG 3.36Å; D60-K63 PolarHBondContact OD1-N 3.18Å; D60-K63 WeakPolarHBondContact OD2-CD 3.44Å; D60-K63 WeakPolarHBondContact OD2-CE 3.45Å; D60-K63 IonicContact OD2-NZ 2.7Å; D60-K63 PolarHBondContact OD2-NZ 3.06Å; D60-L64 PolarHBondContact O-N 3.4Å |
| 61 | A | 87.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 5% | 0.05 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.6 | -27.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A31 L34 L39 L64 F65 | A31-A61 HydrophobicContact CB-CB 3.81Å; L34-A61 HydrophobicContact CB-CB 4.11Å; L34-A61 HydrophobicContact CD1-CB 3.98Å; L39-A61 HydrophobicContact CD1-CB 4.33Å; A61-L64 WeakPolarHBondContact O-CB 3.44Å; A61-L64 PolarHBondContact O-N 3.01Å; A61-L64 VanDerWaalsContact O-N 3.17Å; A61-F65 WeakPolarHBondContact O-CG 3.42Å; A61-F65 PolarHBondContact O-N 2.74Å |
| 62 | Q | 85.8 | Confident | 83 | Confident | 80 Ų | 80 | 68 Ų | 68 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.5 | -55.7 | 175.6 | 28.1 | 0 | 0 | 111 | Y28 A31 E32 D60 L64 F65 L66 | Y28-Q62 HydrophobicContact CD2-CG 4.43Å; A31-Q62 HydrophobicContact CB-CB 4.37Å; A31-Q62 HydrophobicContact CB-CG 3.47Å; A31-Q62 VanDerWaalsContact CB-CG 3.47Å; E32-Q62 PolarHBondContact OE1-NE2 3.45Å; D60-Q62 VanDerWaalsContact C-N 3.3Å; D60-Q62 PolarHBondContact O-N 3.29Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.45Å; D60-Q62 PolarHBondContact OD1-N 3.12Å; Q62-L64 VanDerWaalsContact C-N 3.28Å; Q62-L64 PolarHBondContact O-N 3.04Å; Q62-F65 PolarHBondContact O-N 3.23Å; Q62-L66 WeakPolarHBondContact O-CB 3.37Å; Q62-L66 PolarHBondContact O-N 2.9Å |
| 63 | K | 87.3 | Confident | 83.2 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 32% | 0.317 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -34.4 | 171.8 | -74.3 | 172.3 | -172.5 | 136.2 | 0 | 111.7 | I58 E59 D60 R67 | I58-K63 HydrophobicContact CG2-CB 4Å; E59-K63 HydrophobicContact CB-CD 4.4Å; E59-K63 IonicContact OE2-NZ 3.28Å; E59-K63 PolarHBondContact OE2-NZ 3.41Å; D60-K63 PolarHBondContact O-N 2.67Å; D60-K63 WeakPolarHBondContact OD1-CB 3.38Å; D60-K63 WeakPolarHBondContact OD1-CG 3.36Å; D60-K63 PolarHBondContact OD1-N 3.18Å; D60-K63 WeakPolarHBondContact OD2-CD 3.44Å; D60-K63 WeakPolarHBondContact OD2-CE 3.45Å; D60-K63 IonicContact OD2-NZ 2.7Å; D60-K63 PolarHBondContact OD2-NZ 3.06Å; K63-R67 VanDerWaalsContact O-CG 3.23Å; K63-R67 WeakPolarHBondContact O-CG 3.49Å; K63-R67 PolarHBondContact O-N 2.93Å; K63-R67 VanDerWaalsContact O-N 3.12Å |
| 64 | L | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -50.5 | 175.1 | -173.7 | 59.1 | 0 | 0 | 0 | 111 | L39 L42 I50 I58 D60 A61 Q62 L66 R67 L68 | L39-L64 HydrophobicContact CD1-CB 4.31Å; L39-L64 HydrophobicContact CD1-CD2 4.07Å; L42-L64 HydrophobicContact CB-CD2 3.61Å; L42-L64 HydrophobicContact CD1-CD2 4.47Å; I50-L64 HydrophobicContact CD1-CD1 3.97Å; I58-L64 HydrophobicContact CD1-CD1 3.78Å; I58-L64 HydrophobicContact CG2-CB 3.77Å; I58-L64 HydrophobicContact CG2-CD1 4.4Å; D60-L64 PolarHBondContact O-N 3.4Å; A61-L64 WeakPolarHBondContact O-CB 3.44Å; A61-L64 PolarHBondContact O-N 3.01Å; A61-L64 VanDerWaalsContact O-N 3.17Å; Q62-L64 VanDerWaalsContact C-N 3.28Å; Q62-L64 PolarHBondContact O-N 3.04Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.32Å; L64-R67 PolarHBondContact O-N 3.13Å; L64-R67 VanDerWaalsContact O-N 3.13Å; L64-L68 HydrophobicContact CG-CD1 4.26Å; L64-L68 WeakPolarHBondContact O-CG 3.26Å; L64-L68 PolarHBondContact O-N 3.2Å |
| 65 | F | 88.8 | Confident | 84 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 178.3 | -61.2 | -22.8 | 0 | 0 | 0 | 112.2 | L27 I30 A31 L34 A61 Q62 R67 L68 R69 L74 L82 | L27-F65 HydrophobicContact CB-CD2 4.15Å; L27-F65 HydrophobicContact CD2-CB 4.46Å; L27-F65 HydrophobicContact CD2-CD2 4.02Å; L27-F65 HydrophobicContact CD2-CE2 4.48Å; L27-F65 HydrophobicContact CD2-CG 4.25Å; I30-F65 HydrophobicContact CB-CE2 4.23Å; I30-F65 HydrophobicContact CG2-CE2 3.82Å; I30-F65 HydrophobicContact CG2-CZ 3.8Å; A31-F65 HydrophobicContact CB-CD2 4.06Å; A31-F65 HydrophobicContact CB-CE2 3.83Å; L34-F65 HydrophobicContact CD1-CE2 4.23Å; L34-F65 HydrophobicContact CD1-CZ 3.6Å; A61-F65 WeakPolarHBondContact O-CG 3.42Å; A61-F65 PolarHBondContact O-N 2.74Å; Q62-F65 PolarHBondContact O-N 3.23Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.05Å; F65-L68 HydrophobicContact CD1-CD1 4.46Å; F65-L68 PolarHBondContact O-N 3.35Å; F65-R69 WeakPolarHBondContact O-CG 3.34Å; F65-R69 PolarHBondContact O-N 3.25Å; F65-L74 HydrophobicContact CB-CD1 4.1Å; F65-L74 HydrophobicContact CD1-CD1 4.09Å; F65-L74 HydrophobicContact CG-CD1 4.35Å; F65-L82 HydrophobicContact CD1-CD1 4.31Å; F65-L82 HydrophobicContact CE1-CD1 3.56Å; F65-L82 HydrophobicContact CZ-CD1 3.78Å |
| 66 | L | 85.1 | Confident | 83.7 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 45% | 0.45 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 172.8 | -176.5 | 63.4 | 0 | 0 | 0 | 112 | Q62 L64 R69 E70 | Q62-L66 WeakPolarHBondContact O-CB 3.37Å; Q62-L66 PolarHBondContact O-N 2.9Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.32Å; L66-R69 WeakPolarHBondContact O-CB 3.4Å; L66-R69 PolarHBondContact O-N 3.37Å; L66-E70 WeakPolarHBondContact O-CG 3.43Å; L66-E70 PolarHBondContact O-N 3.18Å |
| 67 | R | 85.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.7 | -30.6 | 178.3 | -69.3 | -69.9 | -175.4 | 66.4 | 5.3 | 113.6 | I50 K54 T57 I58 K63 L64 F65 E70 K71 | I50-R67 HydrophobicContact CD1-CB 3.85Å; K54-R67 PolarHBondContact O-NH1 3.49Å; K54-R67 VanDerWaalsContact O-NH1 3.09Å; T57-R67 PolarHBondContact OG1-NH1 3.2Å; T57-R67 PolarHBondContact OG1-NH2 2.85Å; I58-R67 HydrophobicContact CD1-CB 4.25Å; I58-R67 HydrophobicContact CD1-CG 4.05Å; I58-R67 HydrophobicContact CG1-CG 4.38Å; K63-R67 VanDerWaalsContact O-CG 3.23Å; K63-R67 WeakPolarHBondContact O-CG 3.49Å; K63-R67 PolarHBondContact O-N 2.93Å; K63-R67 VanDerWaalsContact O-N 3.12Å; L64-R67 PolarHBondContact O-N 3.13Å; L64-R67 VanDerWaalsContact O-N 3.13Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.05Å; R67-E70 VanDerWaalsContact CD-OE2 3.26Å; R67-E70 WeakPolarHBondContact CD-OE2 3.48Å; R67-E70 IonicContact NE-OE2 2.78Å; R67-K71 WeakPolarHBondContact O-CG 3.32Å; R67-K71 PolarHBondContact O-N 2.8Å |
| 68 | L | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.9 | -34.3 | 172.1 | -71.4 | 172.3 | 0 | 0 | 0 | 112 | I50 L64 F65 K71 G72 M73 L74 F81 L85 | I50-L68 HydrophobicContact CD1-CD2 3.63Å; I50-L68 HydrophobicContact CD1-CG 3.88Å; I50-L68 HydrophobicContact CG1-CD2 4.21Å; L64-L68 HydrophobicContact CG-CD1 4.26Å; L64-L68 WeakPolarHBondContact O-CG 3.26Å; L64-L68 PolarHBondContact O-N 3.2Å; F65-L68 HydrophobicContact CD1-CD1 4.46Å; F65-L68 PolarHBondContact O-N 3.35Å; L68-K71 CarbonylContact O-C 3.58Å; L68-K71 WeakPolarHBondContact O-CB 3.4Å; L68-K71 PolarHBondContact O-N 3.16Å; L68-G72 PolarHBondContact O-N 3.17Å; L68-M73 HydrophobicContact CD2-CB 4.33Å; L68-M73 PolarHBondContact O-N 3.04Å; L68-L74 HydrophobicContact CB-CD1 3.62Å; L68-L74 HydrophobicContact CB-CG 3.82Å; L68-L74 HydrophobicContact CD1-CD1 4.03Å; L68-L74 HydrophobicContact CG-CD1 4.5Å; L68-F81 HydrophobicContact CD1-CD1 4.37Å; L68-F81 HydrophobicContact CD1-CE1 4.05Å; L68-F81 HydrophobicContact CD2-CD1 4.33Å; L68-F81 HydrophobicContact CD2-CE1 3.65Å; L68-F81 HydrophobicContact CG-CE1 4.48Å; L68-L85 HydrophobicContact CD1-CD1 4.08Å |
| 69 | R | 84.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 33% | 0.328 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 170.2 | -71.6 | 178.4 | 63.6 | -178.1 | 6.2 | 112.7 | F23 F65 L66 K71 G72 L74 | F23-R69 HydrophobicContact CE1-CG 4.47Å; F23-R69 HydrophobicContact CZ-CG 4.43Å; F65-R69 WeakPolarHBondContact O-CG 3.34Å; F65-R69 PolarHBondContact O-N 3.25Å; L66-R69 WeakPolarHBondContact O-CB 3.4Å; L66-R69 PolarHBondContact O-N 3.37Å; R69-K71 PolarHBondContact O-N 3.28Å; R69-G72 PolarHBondContact O-N 3.09Å; R69-L74 HydrophobicContact CG-CB 3.78Å; R69-L74 WeakPolarHBondContact CG-O 3.32Å |
| 70 | E | 84.2 | Confident | 83.4 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.2 | 172.5 | -74.8 | 177 | -172.5 | 0 | 0 | 113 | L66 R67 | L66-E70 WeakPolarHBondContact O-CG 3.43Å; L66-E70 PolarHBondContact O-N 3.18Å; R67-E70 VanDerWaalsContact CD-OE2 3.26Å; R67-E70 WeakPolarHBondContact CD-OE2 3.48Å; R67-E70 IonicContact NE-OE2 2.78Å |
| 71 | K | 82.2 | Confident | 83.4 | Confident | 118 Ų | 118 | 58.4 Ų | 58.4 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -2.8 | 178.4 | -81.2 | -75.1 | -176.3 | 171 | 0 | 114.8 | R67 L68 R69 M73 | R67-K71 WeakPolarHBondContact O-CG 3.32Å; R67-K71 PolarHBondContact O-N 2.8Å; L68-K71 CarbonylContact O-C 3.58Å; L68-K71 WeakPolarHBondContact O-CB 3.4Å; L68-K71 PolarHBondContact O-N 3.16Å; R69-K71 PolarHBondContact O-N 3.28Å; K71-M73 HydrophobicContact CB-CG 4.01Å; K71-M73 PolarHBondContact O-N 3.18Å |
| 72 | G | 81.8 | Confident | 83.3 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 17 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L68 R69 | L68-G72 PolarHBondContact O-N 3.17Å; R69-G72 PolarHBondContact O-N 3.09Å |
| 73 | M | 81 | Confident | 83.4 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 22% | 0.222 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -93.2 | -11.1 | 179.3 | -54.8 | -80 | 70.5 | 0 | 0 | 112.7 | Y49 L68 K71 F81 | Y49-M73 HydrophobicContact CD1-CG 4.36Å; Y49-M73 HydrophobicContact CD1-SD 3.51Å; Y49-M73 VanDerWaalsContact CD1-SD 3.51Å; Y49-M73 HydrophobicContact CE1-SD 3.55Å; Y49-M73 VanDerWaalsContact CE1-SD 3.55Å; Y49-M73 HydrophobicContact CG-SD 4.28Å; L68-M73 HydrophobicContact CD2-CB 4.33Å; L68-M73 PolarHBondContact O-N 3.04Å; K71-M73 HydrophobicContact CB-CG 4.01Å; K71-M73 PolarHBondContact O-N 3.18Å; M73-F81 HydrophobicContact CB-CD1 4.03Å; M73-F81 HydrophobicContact CB-CE1 4.43Å; M73-F81 HydrophobicContact CB-CG 4.43Å; M73-F81 WeakPolarHBondContact O-CB 3.37Å |
| 74 | L | 83.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -133.9 | 118.4 | 173.8 | -65.9 | -180 | 0 | 0 | 0 | 109.3 | L27 F65 L68 R69 L82 | L27-L74 HydrophobicContact CD2-CD1 4.44Å; F65-L74 HydrophobicContact CB-CD1 4.1Å; F65-L74 HydrophobicContact CD1-CD1 4.09Å; F65-L74 HydrophobicContact CG-CD1 4.35Å; L68-L74 HydrophobicContact CB-CD1 3.62Å; L68-L74 HydrophobicContact CB-CG 3.82Å; L68-L74 HydrophobicContact CD1-CD1 4.03Å; L68-L74 HydrophobicContact CG-CD1 4.5Å; R69-L74 HydrophobicContact CG-CB 3.78Å; R69-L74 WeakPolarHBondContact CG-O 3.32Å; L74-L82 HydrophobicContact CD2-CB 3.65Å | ||
| 75 | E | 82.3 | Confident | 83.4 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -137.4 | 157.9 | 178.3 | -61.2 | -171.3 | 164.8 | 0 | 0 | 110.2 | F23 G77 N78 | F23-E75 VanDerWaalsContact CE2-C 3.43Å; F23-E75 WeakPolarHBondContact CE2-O 3.33Å; E75-G77 PolarHBondContact O-N 2.95Å; E75-G77 VanDerWaalsContact O-N 3.15Å; E75-N78 HydrophobicContact CB-CB 4.41Å; E75-N78 PolarHBondContact N-O 2.93Å; E75-N78 VanDerWaalsContact N-O 3.16Å; E75-N78 CarbonylContact O-C 3.58Å; E75-N78 VanDerWaalsContact O-C 3.31Å; E75-N78 PolarHBondContact O-N 3.02Å; E75-N78 VanDerWaalsContact O-O 3.05Å |
| 76 | E | 73.8 | Confident | 83.3 | Confident | 144 Ų | 144 | 52.9 Ų | 52.9 | 67% | 0.673 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.2 | -177.4 | -178.5 | 173.6 | -176.7 | 0 | 0 | 113.2 | F23 | F23-E76 HydrophobicContact CB-CB 4.24Å; F23-E76 HydrophobicContact CB-CG 4.01Å; F23-E76 HydrophobicContact CD1-CB 4.37Å; F23-E76 HydrophobicContact CD2-CB 4.2Å; F23-E76 HydrophobicContact CG-CB 4.05Å; F23-E76 HydrophobicContact CG-CG 4.35Å |
| 77 | G | 70.7 | Confident | 83.4 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 87% | 0.866 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E75 | E75-G77 PolarHBondContact O-N 2.95Å; E75-G77 VanDerWaalsContact O-N 3.15Å |
| 78 | N | 78.9 | Confident | 83.4 | Confident | 65 Ų | 65 | 48.2 Ų | 48.2 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -140.3 | 99.5 | -175.7 | -171.5 | 9.5 | 0 | 0 | 0 | 112.1 | E75 S80 | E75-N78 HydrophobicContact CB-CB 4.41Å; E75-N78 PolarHBondContact N-O 2.93Å; E75-N78 VanDerWaalsContact N-O 3.16Å; E75-N78 CarbonylContact O-C 3.58Å; E75-N78 VanDerWaalsContact O-C 3.31Å; E75-N78 PolarHBondContact O-N 3.02Å; E75-N78 VanDerWaalsContact O-O 3.05Å; N78-S80 WeakPolarHBondContact OD1-CB 3.39Å; N78-S80 PolarHBondContact OD1-N 3.12Å; N78-S80 PolarHBondContact OD1-OG 3.15Å |
| 79 | L | 82.3 | Confident | 83.5 | Confident | 42 Ų | 42 | 49 Ų | 49 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | trans | -109.7 | 9.1 | 177.8 | -69.7 | 169.7 | 0 | 0 | 0 | 112.7 | F23 F81 L82 K83 L99 | F23-L79 HydrophobicContact CD2-CD2 4.29Å; F23-L79 HydrophobicContact CE2-CD2 3.71Å; L79-F81 VanDerWaalsContact C-N 3.35Å; L79-F81 PolarHBondContact O-N 3.04Å; L79-L82 HydrophobicContact CD2-CD2 4.17Å; L79-L82 PolarHBondContact O-N 3.26Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L79-K83 WeakPolarHBondContact O-CG 3.17Å; L79-K83 PolarHBondContact O-N 3.41Å; L79-L99 HydrophobicContact CD1-CD2 3.86Å | ||
| 80 | S | 84.1 | Confident | 83.5 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.1 | -46.6 | -177 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | N78 L82 K83 E84 Q117 | N78-S80 WeakPolarHBondContact OD1-CB 3.39Å; N78-S80 PolarHBondContact OD1-N 3.12Å; N78-S80 PolarHBondContact OD1-OG 3.15Å; S80-L82 PolarHBondContact O-N 2.99Å; S80-K83 WeakPolarHBondContact O-CB 3.24Å; S80-K83 PolarHBondContact O-N 2.96Å; S80-E84 PolarHBondContact O-N 3.47Å; S80-Q117 PolarHBondContact OG-NE2 3.2Å |
| 81 | F | 86.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 176.5 | -167.7 | -111 | 0 | 0 | 0 | 113.3 | Y49 L68 M73 L79 E84 L85 Q117 I118 | Y49-F81 HydrophobicContact CD2-CE2 4.02Å; Y49-F81 AromaticContact CD2-CZ 3.77Å; Y49-F81 HydrophobicContact CD2-CZ 3.77Å; Y49-F81 AromaticContact CE2-CE2 3.78Å; Y49-F81 HydrophobicContact CE2-CE2 3.78Å; Y49-F81 HydrophobicContact CE2-CZ 4.04Å; Y49-F81 HydrophobicContact CG-CZ 4.47Å; L68-F81 HydrophobicContact CD1-CD1 4.37Å; L68-F81 HydrophobicContact CD1-CE1 4.05Å; L68-F81 HydrophobicContact CD2-CD1 4.33Å; L68-F81 HydrophobicContact CD2-CE1 3.65Å; L68-F81 HydrophobicContact CG-CE1 4.48Å; M73-F81 HydrophobicContact CB-CD1 4.03Å; M73-F81 HydrophobicContact CB-CE1 4.43Å; M73-F81 HydrophobicContact CB-CG 4.43Å; M73-F81 WeakPolarHBondContact O-CB 3.37Å; L79-F81 VanDerWaalsContact C-N 3.35Å; L79-F81 PolarHBondContact O-N 3.04Å; F81-E84 PolarHBondContact O-N 3.17Å; F81-L85 HydrophobicContact CD1-CD1 3.74Å; F81-L85 HydrophobicContact CD1-CG 4.38Å; F81-L85 HydrophobicContact CE1-CD1 3.53Å; F81-L85 HydrophobicContact CE1-CG 4.12Å; F81-L85 HydrophobicContact CZ-CD1 4.24Å; F81-L85 HydrophobicContact CZ-CG 4.39Å; F81-L85 WeakPolarHBondContact O-CB 3.49Å; F81-L85 WeakPolarHBondContact O-CG 3.43Å; F81-L85 PolarHBondContact O-N 3.42Å; F81-Q117 HydrophobicContact CD2-CB 3.69Å; F81-Q117 HydrophobicContact CE2-CB 4.16Å; F81-I118 HydrophobicContact CD2-CG1 4.37Å; F81-I118 HydrophobicContact CE2-CG1 3.74Å; F81-I118 HydrophobicContact CZ-CG1 4.38Å |
| 82 | L | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.7 | -173.9 | 58.8 | 0 | 0 | 0 | 111.7 | L27 I30 F65 L74 L79 S80 L85 L86 L99 | L27-L82 HydrophobicContact CD2-CD2 3.62Å; I30-L82 HydrophobicContact CD1-CD2 3.92Å; F65-L82 HydrophobicContact CD1-CD1 4.31Å; F65-L82 HydrophobicContact CE1-CD1 3.56Å; F65-L82 HydrophobicContact CZ-CD1 3.78Å; L74-L82 HydrophobicContact CD2-CB 3.65Å; L79-L82 HydrophobicContact CD2-CD2 4.17Å; L79-L82 PolarHBondContact O-N 3.26Å; L79-L82 VanDerWaalsContact O-N 3.11Å; S80-L82 PolarHBondContact O-N 2.99Å; L82-L85 PolarHBondContact O-N 3.34Å; L82-L86 HydrophobicContact CD1-CD1 4.21Å; L82-L86 HydrophobicContact CD1-CG 4.2Å; L82-L86 HydrophobicContact CG-CD1 4.01Å; L82-L86 HydrophobicContact CG-CG 4.4Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.19Å; L82-L86 PolarHBondContact O-N 3.08Å; L82-L99 HydrophobicContact CD2-CD1 4.09Å; L82-L99 HydrophobicContact CD2-CD2 4.4Å; L82-L99 HydrophobicContact CG-CD1 4.09Å |
| 83 | K | 86.3 | Confident | 83.4 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.3 | -70.9 | 178.4 | 168.3 | -160.6 | 0 | 110.9 | L79 S80 F87 L95 L99 C101 M106 | L79-K83 WeakPolarHBondContact O-CG 3.17Å; L79-K83 PolarHBondContact O-N 3.41Å; S80-K83 WeakPolarHBondContact O-CB 3.24Å; S80-K83 PolarHBondContact O-N 2.96Å; K83-F87 WeakPolarHBondContact O-CB 3.33Å; K83-F87 PolarHBondContact O-N 3.09Å; K83-L95 HydrophobicContact CB-CD2 4.06Å; K83-L95 HydrophobicContact CG-CD2 4.19Å; K83-L99 WeakPolarHBondContact CE-O 3.43Å; K83-L99 HydrophobicContact CG-CB 4.38Å; K83-L99 HydrophobicContact CG-CD1 3.9Å; K83-L99 PolarHBondContact NZ-O 3.17Å; K83-C101 HydrophobicContact CD-CB 4.25Å; K83-M106 HydrophobicContact CB-CE 3.87Å; K83-M106 HydrophobicContact CB-SD 3.76Å; K83-M106 HydrophobicContact CD-SD 4.31Å |
| 84 | E | 88.4 | Confident | 83.6 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.3 | -170.6 | 179.1 | 176.9 | 0 | 0 | 112.3 | S80 F81 F87 H88 L110 Q117 I118 | S80-E84 PolarHBondContact O-N 3.47Å; F81-E84 PolarHBondContact O-N 3.17Å; E84-F87 WeakPolarHBondContact O-CB 3.38Å; E84-F87 PolarHBondContact O-N 3.43Å; E84-H88 PolarHBondContact O-CD2 3.34Å; E84-H88 PolarHBondContact O-N 3.32Å; E84-L110 HydrophobicContact CB-CD2 4.48Å; E84-L110 HydrophobicContact CG-CD1 4.24Å; E84-L110 HydrophobicContact CG-CD2 3.87Å; E84-Q117 PolarHBondContact OE1-N 3.44Å; E84-Q117 WeakPolarHBondContact OE2-CA 3.41Å; E84-Q117 WeakPolarHBondContact OE2-CB 3.46Å; E84-Q117 PolarHBondContact OE2-N 3.38Å; E84-I118 HydrophobicContact CB-CD1 4.4Å; E84-I118 HydrophobicContact CG-CD1 3.89Å; E84-I118 HydrophobicContact CG-CG1 4.04Å; E84-I118 WeakPolarHBondContact OE1-CB 3.46Å; E84-I118 PolarHBondContact OE1-N 2.96Å; E84-I118 PolarHBondContact OE2-N 3.47Å |
| 85 | L | 88.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -53.9 | 173.8 | -81.9 | 172.1 | 0 | 0 | 0 | 112.3 | L42 L45 L68 F81 L82 F87 H88 I89 I118 | L42-L85 HydrophobicContact CD2-CB 3.66Å; L42-L85 HydrophobicContact CD2-CD1 4.31Å; L42-L85 HydrophobicContact CD2-CD2 3.87Å; L42-L85 HydrophobicContact CD2-CG 4.16Å; L45-L85 HydrophobicContact CB-CD2 3.73Å; L45-L85 HydrophobicContact CD1-CD2 4.19Å; L68-L85 HydrophobicContact CD1-CD1 4.08Å; F81-L85 HydrophobicContact CD1-CD1 3.74Å; F81-L85 HydrophobicContact CD1-CG 4.38Å; F81-L85 HydrophobicContact CE1-CD1 3.53Å; F81-L85 HydrophobicContact CE1-CG 4.12Å; F81-L85 HydrophobicContact CZ-CD1 4.24Å; F81-L85 HydrophobicContact CZ-CG 4.39Å; F81-L85 WeakPolarHBondContact O-CB 3.49Å; F81-L85 WeakPolarHBondContact O-CG 3.43Å; F81-L85 PolarHBondContact O-N 3.42Å; L82-L85 PolarHBondContact O-N 3.34Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 2.94Å; L85-H88 PolarHBondContact O-N 3.36Å; L85-I89 PolarHBondContact O-N 2.81Å; L85-I89 VanDerWaalsContact O-N 3.14Å; L85-I118 HydrophobicContact CB-CD1 4.49Å; L85-I118 HydrophobicContact CD2-CD1 3.58Å; L85-I118 HydrophobicContact CG-CD1 3.87Å |
| 86 | L | 87.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -32.9 | -179.7 | -68.2 | 175.7 | 0 | 0 | 0 | 112.5 | I30 L34 L82 I89 S90 R91 L94 L95 L99 | I30-L86 HydrophobicContact CG2-CD1 4.14Å; I30-L86 HydrophobicContact CG2-CD2 4.38Å; L34-L86 HydrophobicContact CD2-CD2 4.1Å; L82-L86 HydrophobicContact CD1-CD1 4.21Å; L82-L86 HydrophobicContact CD1-CG 4.2Å; L82-L86 HydrophobicContact CG-CD1 4.01Å; L82-L86 HydrophobicContact CG-CG 4.4Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.19Å; L82-L86 PolarHBondContact O-N 3.08Å; L86-I89 HydrophobicContact CD2-CD1 4.05Å; L86-S90 PolarHBondContact O-N 3.38Å; L86-R91 HydrophobicContact CD2-CB 4.23Å; L86-R91 PolarHBondContact O-N 3.1Å; L86-L94 HydrophobicContact CD1-CB 4.06Å; L86-L94 HydrophobicContact CD2-CB 4.41Å; L86-L94 HydrophobicContact CD2-CD1 4.02Å; L86-L95 HydrophobicContact CB-CD2 3.83Å; L86-L95 HydrophobicContact CB-CG 3.91Å; L86-L95 HydrophobicContact CD1-CD2 4.4Å; L86-L99 HydrophobicContact CD1-CD1 3.63Å |
| 87 | F | 87.2 | Confident | 83.6 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 172.9 | 178.2 | -80.2 | 0 | 0 | 0 | 111.6 | K83 E84 L85 S90 W92 L95 M106 V107 L110 | K83-F87 WeakPolarHBondContact O-CB 3.33Å; K83-F87 PolarHBondContact O-N 3.09Å; E84-F87 WeakPolarHBondContact O-CB 3.38Å; E84-F87 PolarHBondContact O-N 3.43Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 2.94Å; F87-S90 PolarHBondContact O-N 3.44Å; F87-W92 HydrophobicContact CB-CH2 4.46Å; F87-W92 HydrophobicContact CD1-CH2 4.24Å; F87-W92 AromaticContact CD2-CH2 3.3Å; F87-W92 HydrophobicContact CD2-CH2 3.3Å; F87-W92 AromaticContact CD2-CZ3 3.3Å; F87-W92 HydrophobicContact CD2-CZ3 3.3Å; F87-W92 HydrophobicContact CE1-CH2 4.31Å; F87-W92 AromaticContact CE2-CH2 3.41Å; F87-W92 HydrophobicContact CE2-CH2 3.41Å; F87-W92 VanDerWaalsContact CE2-CH2 3.41Å; F87-W92 AromaticContact CE2-CZ3 3.63Å; F87-W92 HydrophobicContact CE2-CZ3 3.63Å; F87-W92 AromaticContact CG-CH2 3.74Å; F87-W92 HydrophobicContact CG-CH2 3.74Å; F87-W92 HydrophobicContact CG-CZ3 4.03Å; F87-W92 AromaticContact CZ-CH2 3.92Å; F87-W92 HydrophobicContact CZ-CH2 3.92Å; F87-L95 HydrophobicContact CB-CD1 4.09Å; F87-M106 HydrophobicContact CB-CE 4.09Å; F87-M106 HydrophobicContact CD2-CB 3.36Å; F87-M106 HydrophobicContact CD2-CE 4.2Å; F87-M106 HydrophobicContact CD2-CG 3.93Å; F87-M106 HydrophobicContact CE2-CB 3.44Å; F87-M106 VanDerWaalsContact CE2-CB 3.44Å; F87-M106 HydrophobicContact CE2-CG 4.47Å; F87-M106 HydrophobicContact CG-CB 4.45Å; F87-M106 HydrophobicContact CG-CE 4.31Å; F87-V107 HydrophobicContact CE2-CG2 3.88Å; F87-V107 HydrophobicContact CZ-CG2 3.78Å; F87-L110 HydrophobicContact CD1-CD1 3.77Å; F87-L110 HydrophobicContact CD2-CD1 4.39Å; F87-L110 HydrophobicContact CE1-CD1 3.85Å; F87-L110 HydrophobicContact CE2-CD1 4.45Å; F87-L110 HydrophobicContact CG-CD1 4.08Å; F87-L110 HydrophobicContact CZ-CD1 4.21Å |
| 88 | H | 85.5 | Confident | 84 | Confident | 26 Ų | 26 | 37 Ų | 37 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.7 | -40.6 | -179.1 | -79.3 | -55.7 | 0 | 0 | 0 | 113.2 | L45 E84 L85 S90 V123 F126 | L45-H88 HydrophobicContact CD1-CB 3.82Å; E84-H88 PolarHBondContact O-CD2 3.34Å; E84-H88 PolarHBondContact O-N 3.32Å; L85-H88 PolarHBondContact O-N 3.36Å; H88-S90 PolarHBondContact O-N 3.47Å; H88-V123 VanDerWaalsContact CE1-CG1 3.42Å; H88-V123 WeakPolarHBondContact CE1-CG1 3.27Å; H88-F126 VanDerWaalsContact O-CE1 3.32Å; H88-F126 WeakPolarHBondContact O-CE1 3.42Å |
| 89 | I | 87.5 | Confident | 84 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 7.6 | 173.6 | 68.6 | 162.7 | 0 | 0 | 0 | 113.6 | L34 D38 A41 L42 L45 L85 L86 R91 F126 | L34-I89 HydrophobicContact CD2-CD1 3.7Å; D38-I89 HydrophobicContact CB-CD1 4.07Å; A41-I89 HydrophobicContact CB-CG2 3.61Å; L42-I89 HydrophobicContact CD1-CD1 4.23Å; L42-I89 HydrophobicContact CD2-CD1 3.98Å; L42-I89 HydrophobicContact CD2-CG1 4.44Å; L42-I89 HydrophobicContact CD2-CG2 4.12Å; L42-I89 HydrophobicContact CG-CD1 4.02Å; L42-I89 HydrophobicContact CG-CG2 4.37Å; L45-I89 HydrophobicContact CD1-CG2 3.96Å; L85-I89 PolarHBondContact O-N 2.81Å; L85-I89 VanDerWaalsContact O-N 3.14Å; L86-I89 HydrophobicContact CD2-CD1 4.05Å; I89-R91 HydrophobicContact CD1-CB 4.05Å; I89-R91 HydrophobicContact CD1-CG 3.46Å; I89-R91 VanDerWaalsContact CD1-CG 3.46Å; I89-R91 HydrophobicContact CG1-CB 4.05Å; I89-R91 HydrophobicContact CG1-CG 3.75Å; I89-R91 PolarHBondContact O-N 3.33Å; I89-F126 HydrophobicContact CG2-CZ 4.29Å |
| 90 | S | 84.8 | Confident | 83.6 | Confident | 73 Ų | 73 | 39.8 Ų | 39.8 | 51% | 0.51 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 25.3 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 115.8 | L86 F87 H88 W92 | L86-S90 PolarHBondContact O-N 3.38Å; F87-S90 PolarHBondContact O-N 3.44Å; H88-S90 PolarHBondContact O-N 3.47Å; S90-W92 PolarHBondContact O-N 3.3Å; S90-W92 PolarHBondContact O-NE1 3.5Å |
| 91 | R | 84.9 | Confident | 83.1 | Confident | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.143 | 20% | 0.197 | C | C | . | . | trans | -84.2 | 62.2 | 174.5 | -68.9 | -59.4 | -57 | -90.3 | 0.1 | 111.6 | E33 L34 D38 L86 I89 D93 L94 L95 | E33-R91 PolarHBondContact O-NH1 3.22Å; E33-R91 PolarHBondContact O-NH2 3.39Å; L34-R91 HydrophobicContact CD2-CG 4.32Å; D38-R91 IonicContact OD1-NH1 3.23Å; D38-R91 IonicContact OD2-NH1 2.74Å; D38-R91 PolarHBondContact OD2-NH1 2.8Å; L86-R91 HydrophobicContact CD2-CB 4.23Å; L86-R91 PolarHBondContact O-N 3.1Å; I89-R91 HydrophobicContact CD1-CB 4.05Å; I89-R91 HydrophobicContact CD1-CG 3.46Å; I89-R91 VanDerWaalsContact CD1-CG 3.46Å; I89-R91 HydrophobicContact CG1-CB 4.05Å; I89-R91 HydrophobicContact CG1-CG 3.75Å; I89-R91 PolarHBondContact O-N 3.33Å; R91-D93 VanDerWaalsContact CA-OD1 3.27Å; R91-D93 WeakPolarHBondContact CA-OD1 3.5Å; R91-D93 IonicContact CZ-OD1 2.74Å; R91-D93 IonicContact CZ-OD2 3.5Å; R91-D93 IonicContact NE-OD1 3.43Å; R91-D93 PolarHBondContact NE-OD1 2.89Å; R91-D93 IonicContact NE-OD2 3.72Å; R91-D93 PolarHBondContact NE-OD2 3.5Å; R91-D93 IonicContact NH2-OD1 2.74Å; R91-D93 IonicContact NH2-OD2 3.42Å; R91-D93 PolarHBondContact NH2-OD2 3.43Å; R91-D93 PolarHBondContact O-N 3.1Å; R91-L94 HydrophobicContact CB-CB 4.44Å; R91-L94 HydrophobicContact CB-CD1 4.09Å; R91-L94 HydrophobicContact CB-CG 4.17Å; R91-L94 HydrophobicContact CG-CD1 4.46Å; R91-L94 PolarHBondContact O-N 2.82Å; R91-L94 VanDerWaalsContact O-N 3.1Å; R91-L95 PolarHBondContact O-N 2.8Å | ||
| 92 | W | 80.5 | Confident | 82.5 | Confident | 71 Ų | 71 | 41.2 Ų | 41.2 | 27% | 0.269 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -31.2 | 179.6 | -53.2 | 103.3 | 0 | 0 | 0 | 113.1 | F87 S90 L94 L95 V96 R103 | F87-W92 HydrophobicContact CB-CH2 4.46Å; F87-W92 HydrophobicContact CD1-CH2 4.24Å; F87-W92 AromaticContact CD2-CH2 3.3Å; F87-W92 HydrophobicContact CD2-CH2 3.3Å; F87-W92 AromaticContact CD2-CZ3 3.3Å; F87-W92 HydrophobicContact CD2-CZ3 3.3Å; F87-W92 HydrophobicContact CE1-CH2 4.31Å; F87-W92 AromaticContact CE2-CH2 3.41Å; F87-W92 HydrophobicContact CE2-CH2 3.41Å; F87-W92 VanDerWaalsContact CE2-CH2 3.41Å; F87-W92 AromaticContact CE2-CZ3 3.63Å; F87-W92 HydrophobicContact CE2-CZ3 3.63Å; F87-W92 AromaticContact CG-CH2 3.74Å; F87-W92 HydrophobicContact CG-CH2 3.74Å; F87-W92 HydrophobicContact CG-CZ3 4.03Å; F87-W92 AromaticContact CZ-CH2 3.92Å; F87-W92 HydrophobicContact CZ-CH2 3.92Å; S90-W92 PolarHBondContact O-N 3.3Å; S90-W92 PolarHBondContact O-NE1 3.5Å; W92-L94 VanDerWaalsContact C-N 3.31Å; W92-L94 PolarHBondContact O-N 2.57Å; W92-L95 HydrophobicContact CE3-CD1 3.68Å; W92-L95 HydrophobicContact CZ3-CD1 3.88Å; W92-L95 PolarHBondContact O-N 3.37Å; W92-V96 WeakPolarHBondContact O-CG2 2.94Å; W92-V96 PolarHBondContact O-N 2.88Å; W92-R103 HydrophobicContact CE3-CB 4.27Å; W92-R103 HydrophobicContact CE3-CG 4.1Å; W92-R103 HydrophobicContact CH2-CG 4.12Å; W92-R103 HydrophobicContact CZ3-CB 4.16Å; W92-R103 HydrophobicContact CZ3-CG 3.68Å |
| 93 | D | 80.8 | Confident | 81.8 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.8 | -45.2 | 171.8 | 59.2 | -49.6 | 0 | 0 | 0 | 111.3 | R91 N97 | R91-D93 VanDerWaalsContact CA-OD1 3.27Å; R91-D93 WeakPolarHBondContact CA-OD1 3.5Å; R91-D93 IonicContact CZ-OD1 2.74Å; R91-D93 IonicContact CZ-OD2 3.5Å; R91-D93 IonicContact NE-OD1 3.43Å; R91-D93 PolarHBondContact NE-OD1 2.89Å; R91-D93 IonicContact NE-OD2 3.72Å; R91-D93 PolarHBondContact NE-OD2 3.5Å; R91-D93 IonicContact NH2-OD1 2.74Å; R91-D93 IonicContact NH2-OD2 3.42Å; R91-D93 PolarHBondContact NH2-OD2 3.43Å; R91-D93 PolarHBondContact O-N 3.1Å; D93-N97 WeakPolarHBondContact O-CB 3.45Å; D93-N97 PolarHBondContact O-N 3.34Å; D93-N97 PolarHBondContact O-ND2 3.23Å; D93-N97 VanDerWaalsContact O-ND2 3.1Å |
| 94 | L | 85 | Confident | 81.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.2 | -36.6 | -179.1 | -54.8 | -175.3 | 0 | 0 | 0 | 112.4 | I30 E33 L34 L86 R91 W92 F98 | I30-L94 HydrophobicContact CG2-CD1 4.21Å; E33-L94 HydrophobicContact CB-CD1 4.28Å; E33-L94 HydrophobicContact CB-CD2 3.57Å; E33-L94 HydrophobicContact CG-CD2 4.01Å; L34-L94 HydrophobicContact CD2-CD1 3.77Å; L34-L94 HydrophobicContact CG-CD1 3.91Å; L86-L94 HydrophobicContact CD1-CB 4.06Å; L86-L94 HydrophobicContact CD2-CB 4.41Å; L86-L94 HydrophobicContact CD2-CD1 4.02Å; R91-L94 HydrophobicContact CB-CB 4.44Å; R91-L94 HydrophobicContact CB-CD1 4.09Å; R91-L94 HydrophobicContact CB-CG 4.17Å; R91-L94 HydrophobicContact CG-CD1 4.46Å; R91-L94 PolarHBondContact O-N 2.82Å; R91-L94 VanDerWaalsContact O-N 3.1Å; W92-L94 VanDerWaalsContact C-N 3.31Å; W92-L94 PolarHBondContact O-N 2.57Å; L94-F98 HydrophobicContact CB-CD2 4.37Å; L94-F98 HydrophobicContact CD2-CD2 3.85Å; L94-F98 HydrophobicContact CD2-CE2 3.66Å; L94-F98 PolarHBondContact O-N 3.31Å; L94-F98 VanDerWaalsContact O-N 3.07Å |
| 95 | L | 81.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 174.1 | -73.7 | 173.8 | 0 | 0 | 0 | 112.6 | K83 L86 F87 R91 W92 L99 D100 C101 | K83-L95 HydrophobicContact CB-CD2 4.06Å; K83-L95 HydrophobicContact CG-CD2 4.19Å; L86-L95 HydrophobicContact CB-CD2 3.83Å; L86-L95 HydrophobicContact CB-CG 3.91Å; L86-L95 HydrophobicContact CD1-CD2 4.4Å; F87-L95 HydrophobicContact CB-CD1 4.09Å; R91-L95 PolarHBondContact O-N 2.8Å; W92-L95 HydrophobicContact CE3-CD1 3.68Å; W92-L95 HydrophobicContact CZ3-CD1 3.88Å; W92-L95 PolarHBondContact O-N 3.37Å; L95-L99 HydrophobicContact CD2-CD1 4.26Å; L95-L99 CarbonylContact O-C 3.49Å; L95-L99 PolarHBondContact O-N 3.2Å; L95-D100 PolarHBondContact O-N 3.25Å; L95-C101 HydrophobicContact CB-CB 4.47Å; L95-C101 HydrophobicContact CD2-CB 4.48Å; L95-C101 PolarHBondContact O-N 2.86Å; L95-C101 VanDerWaalsContact O-N 3.09Å |
| 96 | V | 79.9 | Confident | 80.2 | Confident | 87 Ų | 87 | 57 Ų | 57 | 53% | 0.527 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78 | -44.5 | -178.5 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | W92 | W92-V96 WeakPolarHBondContact O-CG2 2.94Å; W92-V96 PolarHBondContact O-N 2.88Å |
| 97 | N | 77.4 | Confident | 79.7 | Confident | 116 Ų | 116 | 60.1 Ų | 60.1 | 62% | 0.62 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.9 | -30.3 | -172.1 | -65.3 | -23.6 | 0 | 0 | 0 | 114 | D93 | D93-N97 WeakPolarHBondContact O-CB 3.45Å; D93-N97 PolarHBondContact O-N 3.34Å; D93-N97 PolarHBondContact O-ND2 3.23Å; D93-N97 VanDerWaalsContact O-ND2 3.1Å |
| 98 | F | 78.6 | Confident | 79 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 25% | 0.254 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -119.2 | -21.1 | -172.9 | -61.7 | -71.3 | 0 | 0 | 0 | 115 | M21 A29 I30 E33 L94 | M21-F98 HydrophobicContact CE-CD1 4.21Å; M21-F98 HydrophobicContact CE-CE1 4.2Å; M21-F98 HydrophobicContact SD-CD1 3.93Å; M21-F98 HydrophobicContact SD-CE1 4.27Å; A29-F98 HydrophobicContact CB-CD1 4.14Å; A29-F98 HydrophobicContact CB-CE1 3.56Å; A29-F98 HydrophobicContact CB-CZ 3.93Å; I30-F98 HydrophobicContact CD1-CB 3.82Å; I30-F98 HydrophobicContact CD1-CG 4.5Å; I30-F98 HydrophobicContact CG1-CB 3.68Å; I30-F98 HydrophobicContact CG1-CD2 3.86Å; I30-F98 HydrophobicContact CG1-CG 3.82Å; E33-F98 HydrophobicContact CG-CE2 4.37Å; L94-F98 HydrophobicContact CB-CD2 4.37Å; L94-F98 HydrophobicContact CD2-CD2 3.85Å; L94-F98 HydrophobicContact CD2-CE2 3.66Å; L94-F98 PolarHBondContact O-N 3.31Å; L94-F98 VanDerWaalsContact O-N 3.07Å |
| 99 | L | 78.4 | Confident | 78.5 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -120.5 | 8 | -172.5 | -59.7 | 178.7 | 0 | 0 | 0 | 114.3 | I30 L79 L82 K83 L86 L95 C101 | I30-L99 HydrophobicContact CD1-CD1 4.19Å; I30-L99 HydrophobicContact CD1-CD2 3.89Å; I30-L99 HydrophobicContact CD1-CG 3.97Å; L79-L99 HydrophobicContact CD1-CD2 3.86Å; L82-L99 HydrophobicContact CD2-CD1 4.09Å; L82-L99 HydrophobicContact CD2-CD2 4.4Å; L82-L99 HydrophobicContact CG-CD1 4.09Å; K83-L99 WeakPolarHBondContact CE-O 3.43Å; K83-L99 HydrophobicContact CG-CB 4.38Å; K83-L99 HydrophobicContact CG-CD1 3.9Å; K83-L99 PolarHBondContact NZ-O 3.17Å; L86-L99 HydrophobicContact CD1-CD1 3.63Å; L95-L99 HydrophobicContact CD2-CD1 4.26Å; L95-L99 CarbonylContact O-C 3.49Å; L95-L99 PolarHBondContact O-N 3.2Å; L99-C101 HydrophobicContact CB-CB 4.41Å; L99-C101 PolarHBondContact O-N 3.34Å; L99-C101 VanDerWaalsContact O-N 3.17Å |
| 100 | D | 74.1 | Confident | 78 | Confident | 151 Ų | 151 | 69.8 Ų | 69.8 | 81% | 0.807 | 34% | 0.341 | S | S | * | . | trans | 42.3 | 47.3 | -179.2 | -163.6 | 22.5 | 0 | 0 | 0 | 112.5 | L95 | L95-D100 PolarHBondContact O-N 3.25Š| ||
| 101 | C | 74.4 | Confident | 77.1 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 3% | 0.027 | 35% | 0.352 | C | S | . | . | trans | -121.6 | 120.7 | -167.5 | -161.7 | 0 | 0 | 0 | 0 | 111.3 | K83 L95 L99 M106 | K83-C101 HydrophobicContact CD-CB 4.25Å; L95-C101 HydrophobicContact CB-CB 4.47Å; L95-C101 HydrophobicContact CD2-CB 4.48Å; L95-C101 PolarHBondContact O-N 2.86Å; L95-C101 VanDerWaalsContact O-N 3.09Å; L99-C101 HydrophobicContact CB-CB 4.41Å; L99-C101 PolarHBondContact O-N 3.34Å; L99-C101 VanDerWaalsContact O-N 3.17Å; C101-M106 WeakPolarHBondContact SG-CG 3.38Å | ||
| 102 | N | 74.4 | Confident | 76.3 | Confident | 68 Ų | 68 | 77.6 Ų | 77.6 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | trans | -91.3 | 149.7 | 178.9 | 68.1 | 83.2 | 0 | 0 | 0 | 111.6 | E104 E105 M106 | N102-E104 VanDerWaalsContact C-N 3.28Å; N102-E104 PolarHBondContact O-N 3.2Å; N102-E104 PolarHBondContact OD1-N 2.88Å; N102-E105 PolarHBondContact ND2-OE2 2.83Å; N102-E105 PolarHBondContact O-N 2.98Å; N102-E105 WeakPolarHBondContact OD1-CB 3.33Å; N102-E105 PolarHBondContact OD1-N 3.38Å; N102-M106 PolarHBondContact O-N 3.49Å | ||
| 103 | R | 72.1 | Confident | 75.4 | Confident | 160 Ų | 160 | 77.4 Ų | 77.4 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.6 | -34.6 | -176.1 | -175.6 | 176.2 | -172.5 | -154.8 | 3.5 | 113.3 | W92 V107 | W92-R103 HydrophobicContact CE3-CB 4.27Å; W92-R103 HydrophobicContact CE3-CG 4.1Å; W92-R103 HydrophobicContact CH2-CG 4.12Å; W92-R103 HydrophobicContact CZ3-CB 4.16Å; W92-R103 HydrophobicContact CZ3-CG 3.68Å; R103-V107 WeakPolarHBondContact O-CB 3.31Å; R103-V107 VanDerWaalsContact O-CG2 3.24Å; R103-V107 WeakPolarHBondContact O-CG2 3.41Å; R103-V107 PolarHBondContact O-N 2.77Å |
| 104 | E | 74.7 | Confident | 74.5 | Confident | 149 Ų | 149 | 81.5 Ų | 81.5 | 70% | 0.696 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -75.9 | -28.5 | -175.2 | -70.9 | 148.1 | -160.8 | 0 | 0 | 112.6 | N102 R108 | N102-E104 VanDerWaalsContact C-N 3.28Å; N102-E104 PolarHBondContact O-N 3.2Å; N102-E104 PolarHBondContact OD1-N 2.88Å; E104-R108 WeakPolarHBondContact O-CB 3.26Å; E104-R108 PolarHBondContact O-N 3.21Å |
| 105 | E | 76.1 | Confident | 73.8 | Confident | 63 Ų | 63 | 85.5 Ų | 85.5 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.5 | -49.5 | 170.4 | -177.1 | 162.3 | -124.3 | 0 | 0 | 111 | N102 V107 R108 E109 | N102-E105 PolarHBondContact ND2-OE2 2.83Å; N102-E105 PolarHBondContact O-N 2.98Å; N102-E105 WeakPolarHBondContact OD1-CB 3.33Å; N102-E105 PolarHBondContact OD1-N 3.38Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 2.76Å; E105-R108 CarbonylContact O-C 3.55Å; E105-R108 WeakPolarHBondContact O-CA 3.44Å; E105-R108 VanDerWaalsContact O-CB 3.3Å; E105-R108 WeakPolarHBondContact O-CB 3.36Å; E105-R108 PolarHBondContact O-N 2.78Å; E105-E109 HydrophobicContact CG-CG 4.49Å; E105-E109 WeakPolarHBondContact O-CG 3.28Å; E105-E109 PolarHBondContact O-N 2.77Å |
| 106 | M | 79.2 | Confident | 73.6 | Confident | 5 Ų | 5 | 87.1 Ų | 87.1 | 3% | 0.025 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 174.2 | -72.3 | -62 | -59.4 | 0 | 0 | 113 | K83 F87 C101 N102 R108 E109 L110 | K83-M106 HydrophobicContact CB-CE 3.87Å; K83-M106 HydrophobicContact CB-SD 3.76Å; K83-M106 HydrophobicContact CD-SD 4.31Å; F87-M106 HydrophobicContact CB-CE 4.09Å; F87-M106 HydrophobicContact CD2-CB 3.36Å; F87-M106 HydrophobicContact CD2-CE 4.2Å; F87-M106 HydrophobicContact CD2-CG 3.93Å; F87-M106 HydrophobicContact CE2-CB 3.44Å; F87-M106 VanDerWaalsContact CE2-CB 3.44Å; F87-M106 HydrophobicContact CE2-CG 4.47Å; F87-M106 HydrophobicContact CG-CB 4.45Å; F87-M106 HydrophobicContact CG-CE 4.31Å; C101-M106 WeakPolarHBondContact SG-CG 3.38Å; N102-M106 PolarHBondContact O-N 3.49Å; M106-R108 PolarHBondContact O-N 2.89Å; M106-E109 PolarHBondContact O-N 2.67Å; M106-L110 HydrophobicContact CE-CD1 3.79Å; M106-L110 HydrophobicContact CE-CG 4.14Å; M106-L110 VanDerWaalsContact O-CB 3.3Å; M106-L110 WeakPolarHBondContact O-CB 3.4Å; M106-L110 WeakPolarHBondContact O-CG 3.34Å; M106-L110 PolarHBondContact O-N 2.99Å |
| 107 | V | 75.4 | Confident | 73.7 | Confident | 67 Ų | 67 | 85.4 Ų | 85.4 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -20.7 | 174.5 | 168.9 | 0 | 0 | 0 | 0 | 112.6 | F87 R103 E105 | F87-V107 HydrophobicContact CE2-CG2 3.88Å; F87-V107 HydrophobicContact CZ-CG2 3.78Å; R103-V107 WeakPolarHBondContact O-CB 3.31Å; R103-V107 VanDerWaalsContact O-CG2 3.24Å; R103-V107 WeakPolarHBondContact O-CG2 3.41Å; R103-V107 PolarHBondContact O-N 2.77Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 2.76Å |
| 108 | R | 74.3 | Confident | 74.1 | Confident | 152 Ų | 152 | 80 Ų | 80 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -87.6 | -41.7 | 176.2 | -168.1 | -169.9 | -50.5 | 124.4 | 9 | 111.5 | E104 E105 M106 R111 | E104-R108 WeakPolarHBondContact O-CB 3.26Å; E104-R108 PolarHBondContact O-N 3.21Å; E105-R108 CarbonylContact O-C 3.55Å; E105-R108 WeakPolarHBondContact O-CA 3.44Å; E105-R108 VanDerWaalsContact O-CB 3.3Å; E105-R108 WeakPolarHBondContact O-CB 3.36Å; E105-R108 PolarHBondContact O-N 2.78Å; M106-R108 PolarHBondContact O-N 2.89Å; R108-R111 WeakPolarHBondContact O-CB 3.48Å; R108-R111 PolarHBondContact O-N 3.46Å |
| 109 | E | 75 | Confident | 74.5 | Confident | 82 Ų | 82 | 78.5 Ų | 78.5 | 38% | 0.383 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -51.9 | 176.6 | -70 | 179.7 | 166.3 | 0 | 0 | 110.8 | E105 M106 R111 D112 N115 | E105-E109 HydrophobicContact CG-CG 4.49Å; E105-E109 WeakPolarHBondContact O-CG 3.28Å; E105-E109 PolarHBondContact O-N 2.77Å; M106-E109 PolarHBondContact O-N 2.67Å; E109-R111 PolarHBondContact O-N 2.81Å; E109-R111 VanDerWaalsContact O-N 3.13Å; E109-D112 PolarHBondContact O-N 2.88Å; E109-N115 WeakPolarHBondContact O-CB 3.44Å; E109-N115 PolarHBondContact O-ND2 3.18Å |
| 110 | L | 75.3 | Confident | 74.8 | Confident | 42 Ų | 42 | 80 Ų | 80 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 5.7 | 177.3 | -59.2 | 176.8 | 0 | 0 | 0 | 114.1 | E84 F87 M106 D112 A116 | E84-L110 HydrophobicContact CB-CD2 4.48Å; E84-L110 HydrophobicContact CG-CD1 4.24Å; E84-L110 HydrophobicContact CG-CD2 3.87Å; F87-L110 HydrophobicContact CD1-CD1 3.77Å; F87-L110 HydrophobicContact CD2-CD1 4.39Å; F87-L110 HydrophobicContact CE1-CD1 3.85Å; F87-L110 HydrophobicContact CE2-CD1 4.45Å; F87-L110 HydrophobicContact CG-CD1 4.08Å; F87-L110 HydrophobicContact CZ-CD1 4.21Å; M106-L110 HydrophobicContact CE-CD1 3.79Å; M106-L110 HydrophobicContact CE-CG 4.14Å; M106-L110 VanDerWaalsContact O-CB 3.3Å; M106-L110 WeakPolarHBondContact O-CB 3.4Å; M106-L110 WeakPolarHBondContact O-CG 3.34Å; M106-L110 PolarHBondContact O-N 2.99Å; L110-D112 VanDerWaalsContact C-N 3.33Å; L110-A116 HydrophobicContact CD2-CB 4.07Å |
| 111 | R | 67.6 | Low | 75.4 | Confident | 200 Ų | 200 | 73.3 Ų | 73.3 | 76% | 0.755 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -29 | 167.8 | -174 | 178 | -67.6 | -149.7 | -2.7 | 111.1 | R108 E109 | R108-R111 WeakPolarHBondContact O-CB 3.48Å; R108-R111 PolarHBondContact O-N 3.46Å; E109-R111 PolarHBondContact O-N 2.81Å; E109-R111 VanDerWaalsContact O-N 3.13Å |
| 112 | D | 67.6 | Low | 76.2 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 40% | 0.401 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -86.8 | 120 | 174.9 | -161.3 | -35.3 | 0 | 0 | 0 | 109.3 | E109 L110 D114 N115 | E109-D112 PolarHBondContact O-N 2.88Å; L110-D112 VanDerWaalsContact C-N 3.33Å; D112-D114 PolarHBondContact O-N 3.45Å; D112-D114 PolarHBondContact OD1-N 3.29Å; D112-D114 VanDerWaalsContact OD1-N 3.11Å; D112-N115 HydrophobicContact CB-CB 4.42Å; D112-N115 WeakPolarHBondContact CB-ND2 3.44Å; D112-N115 PolarHBondContact O-N 3.03Å |
| 113 | P | 61 | Low | 76.8 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -58.4 | -27 | 177.7 | -23.9 | 34.9 | 0 | 0 | 0 | 113.8 | N115 A116 | P113-N115 VanDerWaalsContact C-N 3.28Å; P113-N115 PolarHBondContact O-N 2.61Å; P113-A116 PolarHBondContact O-N 2.96Å |
| 114 | D | 62.8 | Low | 77.7 | Confident | 149 Ų | 149 | 64.2 Ų | 64.2 | 80% | 0.797 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -77.2 | -14.2 | -177.4 | -68.2 | -15.9 | 0 | 0 | 0 | 112.7 | D112 | D112-D114 PolarHBondContact O-N 3.45Å; D112-D114 PolarHBondContact OD1-N 3.29Å; D112-D114 VanDerWaalsContact OD1-N 3.11Å |
| 115 | N | 68.9 | Low | 78.4 | Confident | 85 Ų | 85 | 57.1 Ų | 57.1 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -92.4 | -18.1 | 175.4 | -68.9 | -30.6 | 0 | 0 | 0 | 113.4 | E109 D112 P113 | E109-N115 WeakPolarHBondContact O-CB 3.44Å; E109-N115 PolarHBondContact O-ND2 3.18Å; D112-N115 HydrophobicContact CB-CB 4.42Å; D112-N115 WeakPolarHBondContact CB-ND2 3.44Å; D112-N115 PolarHBondContact O-N 3.03Å; P113-N115 VanDerWaalsContact C-N 3.28Å; P113-N115 PolarHBondContact O-N 2.61Å |
| 116 | A | 77.9 | Confident | 79.1 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | trans | -83 | 122.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L110 P113 | L110-A116 HydrophobicContact CD2-CB 4.07Å; P113-A116 PolarHBondContact O-N 2.96Å | ||
| 117 | Q | 82.6 | Confident | 79.5 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | trans | -96.6 | -24.4 | -179.8 | -73.5 | 158.1 | 79.9 | 0 | 0 | 111.9 | Y49 S80 F81 E84 | Y49-Q117 PolarHBondContact OH-O 3.23Å; S80-Q117 PolarHBondContact OG-NE2 3.2Å; F81-Q117 HydrophobicContact CD2-CB 3.69Å; F81-Q117 HydrophobicContact CE2-CB 4.16Å; E84-Q117 PolarHBondContact OE1-N 3.44Å; E84-Q117 WeakPolarHBondContact OE2-CA 3.41Å; E84-Q117 WeakPolarHBondContact OE2-CB 3.46Å; E84-Q117 PolarHBondContact OE2-N 3.38Å | ||
| 118 | I | 86 | Confident | 80.1 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -82.5 | 132.2 | 176.2 | -56.2 | 178.5 | 0 | 0 | 0 | 108.9 | L45 F81 E84 L85 R122 V123 | L45-I118 HydrophobicContact CB-CD1 4.35Å; L45-I118 HydrophobicContact CB-CG2 4.41Å; L45-I118 HydrophobicContact CD2-CG2 4.21Å; F81-I118 HydrophobicContact CD2-CG1 4.37Å; F81-I118 HydrophobicContact CE2-CG1 3.74Å; F81-I118 HydrophobicContact CZ-CG1 4.38Å; E84-I118 HydrophobicContact CB-CD1 4.4Å; E84-I118 HydrophobicContact CG-CD1 3.89Å; E84-I118 HydrophobicContact CG-CG1 4.04Å; E84-I118 WeakPolarHBondContact OE1-CB 3.46Å; E84-I118 PolarHBondContact OE1-N 2.96Å; E84-I118 PolarHBondContact OE2-N 3.47Å; L85-I118 HydrophobicContact CB-CD1 4.49Å; L85-I118 HydrophobicContact CD2-CD1 3.58Å; L85-I118 HydrophobicContact CG-CD1 3.87Å; I118-R122 HydrophobicContact CG2-CB 4.07Å; I118-V123 HydrophobicContact CB-CG2 4.24Å; I118-V123 HydrophobicContact CG2-CG2 3.8Å |
| 119 | S | 86.3 | Confident | 80.8 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | trans | -60 | 133.6 | -177 | 70.2 | 0 | 0 | 0 | 0 | 110.8 | D48 Y121 R122 V123 | D48-S119 WeakPolarHBondContact OD2-CB 3.4Å; D48-S119 PolarHBondContact OD2-OG 3.21Å; S119-Y121 PolarHBondContact O-N 3.38Å; S119-R122 PolarHBondContact O-N 2.92Å; S119-R122 WeakPolarHBondContact OG-CG 3.41Å; S119-R122 PolarHBondContact OG-N 3.44Å; S119-V123 PolarHBondContact O-N 3.17Å | ||
| 120 | P | 84.6 | Confident | 81.4 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.9 | -28.1 | -179.9 | -29.1 | 36.6 | 0 | 0 | 0 | 113.3 | M124 Y198 R205 | P120-M124 WeakPolarHBondContact O-CB 3.44Å; P120-M124 PolarHBondContact O-N 3Å; P120-Y198 HydrophobicContact CB-CE2 3.93Å; P120-R205 VanDerWaalsContact CG-NH1 3.28Å |
| 121 | Y | 87.4 | Confident | 81.9 | Confident | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 171.8 | 167.8 | -106.3 | 0 | 0 | 0 | 112.9 | S119 V123 M124 L125 E167 A173 E174 L177 | S119-Y121 PolarHBondContact O-N 3.38Å; Y121-V123 VanDerWaalsContact C-N 3.33Å; Y121-V123 PolarHBondContact O-N 2.85Å; Y121-M124 HydrophobicContact CD2-CE 4.01Å; Y121-M124 HydrophobicContact CE2-CE 4.41Å; Y121-M124 WeakPolarHBondContact O-CB 3.33Å; Y121-M124 PolarHBondContact O-N 3.06Å; Y121-L125 HydrophobicContact CD2-CD1 4.44Å; Y121-L125 HydrophobicContact CE1-CD1 3.89Å; Y121-L125 HydrophobicContact CE2-CD1 3.77Å; Y121-L125 HydrophobicContact CE2-CG 4.17Å; Y121-L125 VanDerWaalsContact CZ-CD1 3.46Å; Y121-L125 PolarHBondContact O-N 2.82Å; Y121-L125 WeakPolarHBondContact OH-CD1 3.44Å; Y121-E167 VanDerWaalsContact CE1-OE1 3.27Å; Y121-E167 WeakPolarHBondContact CE1-OE1 3.4Å; Y121-E167 PolarHBondContact OH-OE1 3.48Å; Y121-A173 VanDerWaalsContact CE2-C 3.41Å; Y121-A173 WeakPolarHBondContact OH-CA 3.43Å; Y121-E174 HydrophobicContact CD1-CB 4.42Å; Y121-E174 HydrophobicContact CD2-CB 4Å; Y121-E174 HydrophobicContact CE2-CB 4.49Å; Y121-E174 HydrophobicContact CG-CB 3.95Å; Y121-L177 HydrophobicContact CD2-CD2 4.36Å; Y121-L177 HydrophobicContact CE2-CD2 3.91Å |
| 122 | R | 90.8 | Very high | 82.7 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 6% | 0.057 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 175.9 | -70.6 | -75.1 | 172.2 | -147.7 | -9 | 111.7 | L45 D48 I118 S119 M124 L125 F126 E167 | L45-R122 HydrophobicContact CD2-CB 4.37Å; D48-R122 IonicContact OD1-CZ 3.28Å; D48-R122 VanDerWaalsContact OD1-CZ 3.28Å; D48-R122 IonicContact OD1-NE 2.76Å; D48-R122 PolarHBondContact OD1-NE 3.48Å; D48-R122 IonicContact OD1-NH2 2.79Å; D48-R122 PolarHBondContact OD1-NH2 2.97Å; D48-R122 WeakPolarHBondContact OD2-CG 3.45Å; D48-R122 IonicContact OD2-NE 2.95Å; I118-R122 HydrophobicContact CG2-CB 4.07Å; S119-R122 PolarHBondContact O-N 2.92Å; S119-R122 WeakPolarHBondContact OG-CG 3.41Å; S119-R122 PolarHBondContact OG-N 3.44Å; R122-M124 VanDerWaalsContact C-N 3.32Å; R122-M124 PolarHBondContact O-N 3.29Å; R122-L125 PolarHBondContact O-N 2.82Å; R122-F126 WeakPolarHBondContact O-CB 3.16Å; R122-F126 PolarHBondContact O-N 2.97Å; R122-E167 IonicContact CZ-OE1 2.65Å; R122-E167 IonicContact CZ-OE2 2.66Å; R122-E167 IonicContact NH1-OE1 2.64Å; R122-E167 PolarHBondContact NH1-OE1 3.14Å; R122-E167 IonicContact NH1-OE2 3.79Å; R122-E167 PolarHBondContact NH1-OE2 3.43Å; R122-E167 IonicContact NH2-OE1 3.76Å; R122-E167 PolarHBondContact NH2-OE1 2.79Å; R122-E167 IonicContact NH2-OE2 2.83Å; R122-E167 PolarHBondContact NH2-OE2 2.58Å |
| 123 | V | 87.4 | Confident | 83.6 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 9% | 0.085 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | H88 I118 S119 Y121 K127 | H88-V123 VanDerWaalsContact CE1-CG1 3.42Å; H88-V123 WeakPolarHBondContact CE1-CG1 3.27Å; I118-V123 HydrophobicContact CB-CG2 4.24Å; I118-V123 HydrophobicContact CG2-CG2 3.8Å; S119-V123 PolarHBondContact O-N 3.17Å; Y121-V123 VanDerWaalsContact C-N 3.33Å; Y121-V123 PolarHBondContact O-N 2.85Å; V123-K127 HydrophobicContact CG1-CD 4.07Å; V123-K127 WeakPolarHBondContact O-CB 3.32Å; V123-K127 VanDerWaalsContact O-CG 3.26Å; V123-K127 WeakPolarHBondContact O-CG 3.28Å; V123-K127 PolarHBondContact O-N 3.46Å |
| 124 | M | 90.8 | Very high | 84.5 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -51.2 | 175.7 | 177.3 | -81.6 | -66.7 | 0 | 0 | 111.1 | P120 Y121 R122 F126 K127 L128 L177 I195 Y198 | P120-M124 WeakPolarHBondContact O-CB 3.44Å; P120-M124 PolarHBondContact O-N 3Å; Y121-M124 HydrophobicContact CD2-CE 4.01Å; Y121-M124 HydrophobicContact CE2-CE 4.41Å; Y121-M124 WeakPolarHBondContact O-CB 3.33Å; Y121-M124 PolarHBondContact O-N 3.06Å; R122-M124 VanDerWaalsContact C-N 3.32Å; R122-M124 PolarHBondContact O-N 3.29Å; M124-F126 PolarHBondContact O-N 3.42Å; M124-K127 PolarHBondContact O-N 3.24Å; M124-K127 VanDerWaalsContact O-N 3.17Å; M124-L128 WeakPolarHBondContact O-CG 3.38Å; M124-L128 PolarHBondContact O-N 3.5Å; M124-L128 VanDerWaalsContact O-N 3.08Å; M124-L128 HydrophobicContact SD-CD1 3.54Å; M124-L128 VanDerWaalsContact SD-CD1 3.54Å; M124-L128 HydrophobicContact SD-CG 4.13Å; M124-L177 HydrophobicContact CE-CD1 4.05Å; M124-L177 HydrophobicContact CE-CD2 3.88Å; M124-I195 HydrophobicContact SD-CG1 4.2Å; M124-Y198 HydrophobicContact CB-CD2 3.89Å; M124-Y198 HydrophobicContact CB-CG 4.19Å; M124-Y198 HydrophobicContact CE-CD1 4.25Å; M124-Y198 HydrophobicContact CE-CG 4.46Å; M124-Y198 HydrophobicContact CG-CD2 4.15Å; M124-Y198 HydrophobicContact CG-CG 3.92Å |
| 125 | L | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 178.9 | -68.9 | -177.2 | 0 | 0 | 0 | 112.6 | F44 Y121 R122 K127 L128 S129 F163 L172 L180 | F44-L125 HydrophobicContact CE1-CB 3.86Å; F44-L125 HydrophobicContact CZ-CB 3.65Å; F44-L125 HydrophobicContact CZ-CD1 3.91Å; F44-L125 HydrophobicContact CZ-CG 4.46Å; Y121-L125 HydrophobicContact CD2-CD1 4.44Å; Y121-L125 HydrophobicContact CE1-CD1 3.89Å; Y121-L125 HydrophobicContact CE2-CD1 3.77Å; Y121-L125 HydrophobicContact CE2-CG 4.17Å; Y121-L125 VanDerWaalsContact CZ-CD1 3.46Å; Y121-L125 PolarHBondContact O-N 2.82Å; Y121-L125 WeakPolarHBondContact OH-CD1 3.44Å; R122-L125 PolarHBondContact O-N 2.82Å; L125-K127 PolarHBondContact O-N 3.4Å; L125-L128 HydrophobicContact CD2-CD1 4.39Å; L125-L128 WeakPolarHBondContact O-CB 3.5Å; L125-L128 PolarHBondContact O-N 2.63Å; L125-L128 VanDerWaalsContact O-N 3.09Å; L125-S129 PolarHBondContact O-N 2.91Å; L125-S129 VanDerWaalsContact O-N 3.1Å; L125-F163 HydrophobicContact CB-CD2 3.96Å; L125-F163 HydrophobicContact CB-CE2 4.15Å; L125-F163 HydrophobicContact CD1-CB 4.45Å; L125-F163 HydrophobicContact CD2-CD2 4.22Å; L125-F163 HydrophobicContact CD2-CE2 4.21Å; L125-F163 HydrophobicContact CD2-CG 4.41Å; L125-F163 HydrophobicContact CD2-CZ 4.4Å; L125-F163 HydrophobicContact CG-CD2 4.47Å; L125-F163 WeakPolarHBondContact O-CE2 3.49Å; L125-L172 HydrophobicContact CD1-CD2 3.93Å; L125-L172 HydrophobicContact CD2-CD2 4.02Å; L125-L180 HydrophobicContact CD2-CD2 3.51Å |
| 126 | F | 90.7 | Very high | 86.1 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.8 | 179.8 | -103.6 | 0 | 0 | 0 | 111.9 | A41 F44 L45 H88 I89 R122 M124 L128 S129 E130 L160 | A41-F126 HydrophobicContact CB-CD2 4.19Å; A41-F126 HydrophobicContact CB-CE2 3.4Å; A41-F126 VanDerWaalsContact CB-CE2 3.4Å; A41-F126 HydrophobicContact CB-CZ 3.95Å; F44-F126 HydrophobicContact CD1-CB 4.34Å; F44-F126 HydrophobicContact CE1-CB 4.35Å; L45-F126 HydrophobicContact CD2-CB 3.84Å; L45-F126 HydrophobicContact CD2-CG 4.17Å; H88-F126 VanDerWaalsContact O-CE1 3.32Å; H88-F126 WeakPolarHBondContact O-CE1 3.42Å; I89-F126 HydrophobicContact CG2-CZ 4.29Å; R122-F126 WeakPolarHBondContact O-CB 3.16Å; R122-F126 PolarHBondContact O-N 2.97Å; M124-F126 PolarHBondContact O-N 3.42Å; F126-L128 PolarHBondContact O-N 3.28Å; F126-L128 VanDerWaalsContact O-N 3.17Å; F126-S129 PolarHBondContact O-N 3.5Å; F126-S129 VanDerWaalsContact O-N 3.09Å; F126-S129 PolarHBondContact O-OG 3.23Å; F126-E130 HydrophobicContact CD1-CG 4.37Å; F126-E130 HydrophobicContact CE1-CG 3.79Å; F126-E130 HydrophobicContact CE2-CG 4.1Å; F126-E130 HydrophobicContact CZ-CG 3.63Å; F126-E130 WeakPolarHBondContact O-CG 3.42Å; F126-E130 PolarHBondContact O-N 2.73Å; F126-L160 HydrophobicContact CD2-CD1 4.07Å; F126-L160 HydrophobicContact CD2-CD2 4.2Å; F126-L160 HydrophobicContact CE2-CD1 4.3Å |
| 127 | K | 87.7 | Confident | 86.5 | Confident | 106 Ų | 106 | 44.7 Ų | 44.7 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.6 | -14 | 174.7 | -74.5 | 173.9 | -179.6 | 176 | 0 | 114.6 | V123 M124 L125 K194 | V123-K127 HydrophobicContact CG1-CD 4.07Å; V123-K127 WeakPolarHBondContact O-CB 3.32Å; V123-K127 VanDerWaalsContact O-CG 3.26Å; V123-K127 WeakPolarHBondContact O-CG 3.28Å; V123-K127 PolarHBondContact O-N 3.46Å; M124-K127 PolarHBondContact O-N 3.24Å; M124-K127 VanDerWaalsContact O-N 3.17Å; L125-K127 PolarHBondContact O-N 3.4Å; K127-K194 PolarHBondContact O-NZ 3.19Å |
| 128 | L | 87.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -84.8 | -37.8 | 169.8 | -67.1 | 179.1 | 0 | 0 | 0 | 111.2 | M124 L125 F126 E130 E131 V132 F163 L180 L191 K194 I195 | M124-L128 WeakPolarHBondContact O-CG 3.38Å; M124-L128 PolarHBondContact O-N 3.5Å; M124-L128 VanDerWaalsContact O-N 3.08Å; M124-L128 HydrophobicContact SD-CD1 3.54Å; M124-L128 VanDerWaalsContact SD-CD1 3.54Å; M124-L128 HydrophobicContact SD-CG 4.13Å; L125-L128 HydrophobicContact CD2-CD1 4.39Å; L125-L128 WeakPolarHBondContact O-CB 3.5Å; L125-L128 PolarHBondContact O-N 2.63Å; L125-L128 VanDerWaalsContact O-N 3.09Å; F126-L128 PolarHBondContact O-N 3.28Å; F126-L128 VanDerWaalsContact O-N 3.17Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 2.66Å; L128-E131 PolarHBondContact O-N 3.43Å; L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 3.36Å; L128-F163 HydrophobicContact CB-CE2 4.35Å; L128-F163 HydrophobicContact CB-CZ 4.21Å; L128-L180 HydrophobicContact CD1-CD2 3.9Å; L128-L191 HydrophobicContact CD2-CB 3.95Å; L128-L191 HydrophobicContact CD2-CD2 3.92Å; L128-L191 HydrophobicContact CD2-CG 4.49Å; L128-K194 HydrophobicContact CD2-CB 4.08Å; L128-K194 HydrophobicContact CD2-CD 3.98Å; L128-I195 HydrophobicContact CD1-CD1 4.03Å; L128-I195 HydrophobicContact CD1-CG1 3.91Å |
| 129 | S | 88.8 | Confident | 86.3 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.9 | 62.2 | 0 | 0 | 0 | 0 | 113 | L125 F126 E131 V132 L160 | L125-S129 PolarHBondContact O-N 2.91Å; L125-S129 VanDerWaalsContact O-N 3.1Å; F126-S129 PolarHBondContact O-N 3.5Å; F126-S129 VanDerWaalsContact O-N 3.09Å; F126-S129 PolarHBondContact O-OG 3.23Å; S129-E131 VanDerWaalsContact C-N 3.25Å; S129-E131 PolarHBondContact O-N 2.98Å; S129-V132 PolarHBondContact O-N 2.92Å; S129-L160 WeakPolarHBondContact OG-CD2 3.34Å |
| 130 | E | 87.6 | Confident | 86.2 | Confident | 131 Ų | 131 | 50.3 Ų | 50.3 | 61% | 0.612 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.9 | 179.5 | -63.6 | -58.4 | 97.6 | 0 | 0 | 114.3 | F126 L128 | F126-E130 HydrophobicContact CD1-CG 4.37Å; F126-E130 HydrophobicContact CE1-CG 3.79Å; F126-E130 HydrophobicContact CE2-CG 4.1Å; F126-E130 HydrophobicContact CZ-CG 3.63Å; F126-E130 WeakPolarHBondContact O-CG 3.42Å; F126-E130 PolarHBondContact O-N 2.73Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 2.66Å |
| 131 | E | 84.6 | Confident | 86.1 | Confident | 101 Ų | 101 | 48.9 Ų | 48.9 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -1.4 | -178.6 | -79.9 | -179.3 | -157.9 | 0 | 0 | 114.1 | L128 S129 L191 K194 | L128-E131 PolarHBondContact O-N 3.43Å; S129-E131 VanDerWaalsContact C-N 3.25Å; S129-E131 PolarHBondContact O-N 2.98Å; E131-L191 HydrophobicContact CB-CD2 4.08Å; E131-K194 IonicContact OE1-NZ 3.28Å; E131-K194 PolarHBondContact OE1-NZ 3.13Å; E131-K194 VanDerWaalsContact OE2-CE 3.25Å; E131-K194 WeakPolarHBondContact OE2-CE 3.07Å; E131-K194 IonicContact OE2-NZ 2.97Å; E131-K194 PolarHBondContact OE2-NZ 2.99Å |
| 132 | V | 86.3 | Confident | 85.9 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | trans | -89.4 | 115.8 | 175.4 | 164.3 | 0 | 0 | 0 | 0 | 109.6 | L128 S129 E136 L137 F140 L159 L191 | L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 3.36Å; S129-V132 PolarHBondContact O-N 2.92Å; V132-E136 HydrophobicContact CG1-CB 3.87Å; V132-L137 HydrophobicContact CG1-CB 3.98Å; V132-F140 HydrophobicContact CG1-CD2 4.38Å; V132-F140 HydrophobicContact CG1-CE2 4.49Å; V132-F140 HydrophobicContact CG2-CE2 3.97Å; V132-F140 HydrophobicContact CG2-CZ 4.49Å; V132-L159 HydrophobicContact CB-CD2 3.68Å; V132-L159 HydrophobicContact CG1-CD2 3.8Å; V132-L159 HydrophobicContact CG2-CD2 3.6Å; V132-L191 HydrophobicContact CG2-CD1 3.41Å; V132-L191 VanDerWaalsContact CG2-CD1 3.41Å; V132-L191 HydrophobicContact CG2-CD2 4.31Å | ||
| 133 | S | 85.1 | Confident | 85.4 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | trans | -68.9 | 162.4 | 173.5 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | L135 E136 L137 | S133-L135 PolarHBondContact O-N 2.85Å; S133-L135 VanDerWaalsContact O-N 3.16Å; S133-E136 WeakPolarHBondContact CB-OE2 3.32Å; S133-E136 PolarHBondContact N-OE2 2.88Å; S133-E136 PolarHBondContact O-N 2.91Å; S133-E136 WeakPolarHBondContact OG-CG 3.44Å; S133-E136 PolarHBondContact OG-N 2.79Å; S133-E136 PolarHBondContact OG-OE2 2.76Å; S133-L137 PolarHBondContact O-N 3.37Å | ||
| 134 | E | 81.5 | Confident | 85 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.2 | -32.6 | 177.7 | -158.5 | -158.2 | 153.1 | 0 | 0 | 113.1 | R138 | E134-R138 VanDerWaalsContact O-CG 3.31Å; E134-R138 WeakPolarHBondContact O-CG 3.39Å; E134-R138 PolarHBondContact O-N 3.3Å; E134-R138 VanDerWaalsContact O-N 3.12Å; E134-R138 IonicContact OE1-CZ 3.93Å; E134-R138 IonicContact OE1-NE 3.28Å; E134-R138 PolarHBondContact OE1-NE 3.36Å; E134-R138 IonicContact OE1-NH2 2.75Å; E134-R138 PolarHBondContact OE1-NH2 2.87Å |
| 135 | L | 80.1 | Confident | 84.3 | Confident | 123 Ų | 123 | 57.6 Ų | 57.6 | 64% | 0.644 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71 | -40.7 | 176.2 | -68.4 | 175 | 0 | 0 | 0 | 111.8 | S133 R138 S139 | S133-L135 PolarHBondContact O-N 2.85Å; S133-L135 VanDerWaalsContact O-N 3.16Å; L135-R138 PolarHBondContact O-N 3.41Å; L135-S139 PolarHBondContact O-N 2.9Å; L135-S139 PolarHBondContact O-OG 3.19Å |
| 136 | E | 85.1 | Confident | 83.1 | Confident | 38 Ų | 38 | 65 Ų | 65 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 174.9 | -71 | 161.7 | 127.6 | 0 | 0 | 110.8 | V132 S133 R138 S139 F140 V187 N188 | V132-E136 HydrophobicContact CG1-CB 3.87Å; S133-E136 WeakPolarHBondContact CB-OE2 3.32Å; S133-E136 PolarHBondContact N-OE2 2.88Å; S133-E136 PolarHBondContact O-N 2.91Å; S133-E136 WeakPolarHBondContact OG-CG 3.44Å; S133-E136 PolarHBondContact OG-N 2.79Å; S133-E136 PolarHBondContact OG-OE2 2.76Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.11Å; E136-S139 CarbonylContact O-C 3.45Å; E136-S139 WeakPolarHBondContact O-CA 3.14Å; E136-S139 VanDerWaalsContact O-CB 3.31Å; E136-S139 WeakPolarHBondContact O-CB 3.31Å; E136-S139 PolarHBondContact O-N 2.94Å; E136-F140 WeakPolarHBondContact O-CD2 3.4Å; E136-F140 PolarHBondContact O-N 3.42Å; E136-V187 HydrophobicContact CB-CG1 3.51Å; E136-V187 HydrophobicContact CG-CG1 3.68Å; E136-N188 VanDerWaalsContact OE1-CB 3.24Å; E136-N188 WeakPolarHBondContact OE1-CB 3.36Å; E136-N188 PolarHBondContact OE1-ND2 3.16Å |
| 137 | L | 84.8 | Confident | 82 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 173.6 | -179.6 | 55.3 | 0 | 0 | 0 | 112.2 | V132 S133 S139 F140 K141 L159 I162 | V132-L137 HydrophobicContact CG1-CB 3.98Å; S133-L137 PolarHBondContact O-N 3.37Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-F140 WeakPolarHBondContact O-CB 3.19Å; L137-F140 PolarHBondContact O-N 2.9Å; L137-K141 WeakPolarHBondContact O-CG 3.14Å; L137-K141 PolarHBondContact O-N 2.67Å; L137-L159 HydrophobicContact CD1-CB 3.87Å; L137-L159 HydrophobicContact CD1-CD1 3.99Å; L137-L159 HydrophobicContact CD1-CG 4.44Å; L137-I162 HydrophobicContact CD1-CD1 3.61Å |
| 138 | R | 82.4 | Confident | 81.3 | Confident | 142 Ų | 142 | 63.7 Ų | 63.7 | 54% | 0.536 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 172.8 | -69.3 | 169.6 | -171 | -169.2 | 3.7 | 111.9 | E134 L135 E136 K141 F142 | E134-R138 VanDerWaalsContact O-CG 3.31Å; E134-R138 WeakPolarHBondContact O-CG 3.39Å; E134-R138 PolarHBondContact O-N 3.3Å; E134-R138 VanDerWaalsContact O-N 3.12Å; E134-R138 IonicContact OE1-CZ 3.93Å; E134-R138 IonicContact OE1-NE 3.28Å; E134-R138 PolarHBondContact OE1-NE 3.36Å; E134-R138 IonicContact OE1-NH2 2.75Å; E134-R138 PolarHBondContact OE1-NH2 2.87Å; L135-R138 PolarHBondContact O-N 3.41Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.11Å; R138-K141 PolarHBondContact O-N 2.95Å; R138-F142 WeakPolarHBondContact O-CB 3.4Å; R138-F142 PolarHBondContact O-N 3.07Å |
| 139 | S | 82.9 | Confident | 80.2 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 172.7 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | L135 E136 L137 F142 L143 | L135-S139 PolarHBondContact O-N 2.9Å; L135-S139 PolarHBondContact O-OG 3.19Å; E136-S139 CarbonylContact O-C 3.45Å; E136-S139 WeakPolarHBondContact O-CA 3.14Å; E136-S139 VanDerWaalsContact O-CB 3.31Å; E136-S139 WeakPolarHBondContact O-CB 3.31Å; E136-S139 PolarHBondContact O-N 2.94Å; L137-S139 VanDerWaalsContact C-N 3.33Å; S139-F142 PolarHBondContact O-N 3.34Å; S139-L143 WeakPolarHBondContact O-CG 3.1Å; S139-L143 PolarHBondContact O-N 3.48Å |
| 140 | F | 83.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.5 | -53.1 | 170.4 | -95.1 | -97.7 | 0 | 0 | 0 | 111.1 | V132 E136 L137 F142 L143 L144 L159 F163 L180 I183 V187 L191 | V132-F140 HydrophobicContact CG1-CD2 4.38Å; V132-F140 HydrophobicContact CG1-CE2 4.49Å; V132-F140 HydrophobicContact CG2-CE2 3.97Å; V132-F140 HydrophobicContact CG2-CZ 4.49Å; E136-F140 WeakPolarHBondContact O-CD2 3.4Å; E136-F140 PolarHBondContact O-N 3.42Å; L137-F140 WeakPolarHBondContact O-CB 3.19Å; L137-F140 PolarHBondContact O-N 2.9Å; F140-F142 VanDerWaalsContact C-N 3.27Å; F140-F142 PolarHBondContact O-N 2.92Å; F140-L143 PolarHBondContact O-N 2.95Å; F140-L144 WeakPolarHBondContact O-CB 3.5Å; F140-L144 WeakPolarHBondContact O-CG 3.27Å; F140-L144 PolarHBondContact O-N 3.42Å; F140-L159 HydrophobicContact CB-CD1 4.44Å; F140-L159 HydrophobicContact CD1-CD1 3.78Å; F140-L159 HydrophobicContact CE1-CD1 4.18Å; F140-L159 HydrophobicContact CG-CD1 4.11Å; F140-F163 HydrophobicContact CE1-CE1 4.38Å; F140-L180 HydrophobicContact CE1-CD1 3.78Å; F140-L180 HydrophobicContact CZ-CD1 4.34Å; F140-I183 HydrophobicContact CD1-CG2 3.4Å; F140-I183 VanDerWaalsContact CD1-CG2 3.4Å; F140-I183 HydrophobicContact CD2-CG2 4.24Å; F140-I183 HydrophobicContact CE1-CB 4.31Å; F140-I183 HydrophobicContact CE1-CG2 3.47Å; F140-I183 VanDerWaalsContact CE1-CG2 3.47Å; F140-I183 HydrophobicContact CE2-CG2 4.29Å; F140-I183 HydrophobicContact CG-CG2 3.81Å; F140-I183 HydrophobicContact CZ-CG2 3.93Å; F140-V187 HydrophobicContact CD2-CB 4.2Å; F140-V187 HydrophobicContact CD2-CG1 3.91Å; F140-V187 HydrophobicContact CD2-CG2 4.01Å; F140-V187 HydrophobicContact CE2-CB 4.03Å; F140-V187 HydrophobicContact CE2-CG1 3.91Å; F140-V187 HydrophobicContact CE2-CG2 4.25Å; F140-L191 HydrophobicContact CE2-CD1 4.22Å; F140-L191 HydrophobicContact CZ-CD1 4.42Å |
| 141 | K | 83.5 | Confident | 77.1 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.4 | -39 | 175.1 | -68.8 | -178.1 | -174.6 | -170 | 0 | 111.5 | L137 R138 N145 L153 E154 D155 L157 I162 | L137-K141 WeakPolarHBondContact O-CG 3.14Å; L137-K141 PolarHBondContact O-N 2.67Å; R138-K141 PolarHBondContact O-N 2.95Å; K141-N145 PolarHBondContact O-N 2.66Å; K141-N145 PolarHBondContact O-ND2 3.39Å; K141-L153 WeakPolarHBondContact O-CD1 3.49Å; K141-E154 PolarHBondContact NZ-O 2.95Å; K141-D155 PolarHBondContact NZ-O 2.7Å; K141-L157 WeakPolarHBondContact CE-O 3.36Å; K141-L157 PolarHBondContact NZ-O 3.1Å; K141-I162 HydrophobicContact CD-CD1 4.39Å; K141-I162 HydrophobicContact CG-CD1 3.67Å |
| 142 | F | 81.7 | Confident | 75.9 | Confident | 149 Ų | 149 | 71.6 Ų | 71.6 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.8 | -50.1 | 178.7 | -178.3 | -96.9 | 0 | 0 | 0 | 112.6 | R138 S139 F140 N145 | R138-F142 WeakPolarHBondContact O-CB 3.4Å; R138-F142 PolarHBondContact O-N 3.07Å; S139-F142 PolarHBondContact O-N 3.34Å; F140-F142 VanDerWaalsContact C-N 3.27Å; F140-F142 PolarHBondContact O-N 2.92Å; F142-N145 WeakPolarHBondContact CA-ND2 3.27Å; F142-N145 WeakPolarHBondContact O-CB 3.43Å; F142-N145 PolarHBondContact O-N 3.37Å; F142-N145 PolarHBondContact O-ND2 3.03Å |
| 143 | L | 80.1 | Confident | 74.9 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 22% | 0.22 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | -179.3 | -68.6 | 170.3 | 0 | 0 | 0 | 111.7 | S139 F140 N145 I183 Q186 V187 | S139-L143 WeakPolarHBondContact O-CG 3.1Å; S139-L143 PolarHBondContact O-N 3.48Å; F140-L143 PolarHBondContact O-N 2.95Å; L143-N145 PolarHBondContact O-N 3Å; L143-I183 HydrophobicContact CB-CG1 4.5Å; L143-I183 HydrophobicContact CD1-CG2 4.05Å; L143-Q186 HydrophobicContact CD1-CB 3.86Å; L143-V187 HydrophobicContact CD1-CG2 3.64Å |
| 144 | L | 80.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.2 | -13.6 | 177.2 | -73.9 | 167.8 | 0 | 0 | 0 | 114.3 | F140 N146 E147 I148 L153 I162 M166 I183 | F140-L144 WeakPolarHBondContact O-CB 3.5Å; F140-L144 WeakPolarHBondContact O-CG 3.27Å; F140-L144 PolarHBondContact O-N 3.42Å; L144-N146 PolarHBondContact O-N 3.42Å; L144-N146 VanDerWaalsContact O-N 3.08Å; L144-E147 PolarHBondContact O-N 3.27Å; L144-I148 HydrophobicContact CB-CD1 4.35Å; L144-I148 HydrophobicContact CB-CG1 4.48Å; L144-I148 HydrophobicContact CD1-CD1 4.38Å; L144-I148 HydrophobicContact CD2-CD1 4.09Å; L144-I148 HydrophobicContact CD2-CG1 4.45Å; L144-I148 PolarHBondContact O-N 3.41Å; L144-L153 HydrophobicContact CB-CD1 3.96Å; L144-I162 HydrophobicContact CD1-CG2 3.36Å; L144-M166 HydrophobicContact CD1-SD 4.02Å; L144-M166 HydrophobicContact CD2-CE 4.15Å; L144-M166 HydrophobicContact CD2-CG 4.31Å; L144-M166 HydrophobicContact CD2-SD 4.14Å; L144-I183 HydrophobicContact CD1-CD1 4.45Å; L144-I183 HydrophobicContact CD2-CD1 3.52Å; L144-I183 HydrophobicContact CG-CD1 3.82Å |
| 145 | N | 74.7 | Confident | 73 | Confident | 44 Ų | 44 | 75.6 Ų | 75.6 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.4 | 180 | -80.5 | -50.5 | 0 | 0 | 0 | 114.7 | K141 F142 L143 E147 K150 | K141-N145 PolarHBondContact O-N 2.66Å; K141-N145 PolarHBondContact O-ND2 3.39Å; F142-N145 WeakPolarHBondContact CA-ND2 3.27Å; F142-N145 WeakPolarHBondContact O-CB 3.43Å; F142-N145 PolarHBondContact O-N 3.37Å; F142-N145 PolarHBondContact O-ND2 3.03Å; L143-N145 PolarHBondContact O-N 3Å; N145-E147 VanDerWaalsContact C-N 3.33Å; N145-K150 WeakPolarHBondContact OD1-CG 3.32Å |
| 146 | N | 65.7 | Low | 72.3 | Confident | 155 Ų | 155 | 75.9 Ų | 75.9 | 83% | 0.829 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -19.8 | 176.8 | -65.1 | -29.1 | 0 | 0 | 0 | 112.3 | L144 | L144-N146 PolarHBondContact O-N 3.42Å; L144-N146 VanDerWaalsContact O-N 3.08Å |
| 147 | E | 67.1 | Low | 72 | Confident | 86 Ų | 86 | 76 Ų | 76 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -26.5 | -171.4 | -60.8 | -177.2 | 144.9 | 0 | 0 | 112.3 | L144 N145 R169 M171 T179 | L144-E147 PolarHBondContact O-N 3.27Å; N145-E147 VanDerWaalsContact C-N 3.33Å; E147-R169 PolarHBondContact O-NH1 2.78Å; E147-M171 HydrophobicContact CB-CE 3.63Å; E147-M171 HydrophobicContact CB-SD 4.15Å; E147-M171 HydrophobicContact CG-CE 3.88Å; E147-M171 WeakPolarHBondContact OE2-CE 3.39Å; E147-T179 WeakPolarHBondContact OE2-CG2 3.38Å |
| 148 | I | 72.6 | Confident | 72 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -122.9 | 116.3 | 179 | -54 | -173.7 | 0 | 0 | 0 | 108.1 | L144 K150 K152 L153 E165 M166 | L144-I148 HydrophobicContact CB-CD1 4.35Å; L144-I148 HydrophobicContact CB-CG1 4.48Å; L144-I148 HydrophobicContact CD1-CD1 4.38Å; L144-I148 HydrophobicContact CD2-CD1 4.09Å; L144-I148 HydrophobicContact CD2-CG1 4.45Å; L144-I148 PolarHBondContact O-N 3.41Å; I148-K150 PolarHBondContact O-N 3.29Å; I148-K152 HydrophobicContact CG2-CB 4.11Å; I148-L153 HydrophobicContact CB-CD1 3.95Å; I148-L153 HydrophobicContact CB-CD2 4.37Å; I148-L153 HydrophobicContact CB-CG 4.09Å; I148-L153 HydrophobicContact CD1-CD2 4.4Å; I148-L153 HydrophobicContact CG2-CD1 4.12Å; I148-L153 HydrophobicContact CG2-CD2 3.99Å; I148-L153 HydrophobicContact CG2-CG 3.7Å; I148-E165 HydrophobicContact CD1-CG 4.33Å; I148-E165 HydrophobicContact CG2-CG 4.35Å; I148-M166 HydrophobicContact CD1-CG 4.08Å |
| 149 | P | 65.6 | Low | 72.2 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | trans | -54.1 | 136 | 175.7 | -28.8 | 35.7 | 0 | 0 | 0 | 112.6 | C151 K152 R169 | P149-C151 PolarHBondContact O-N 3.2Å; P149-K152 PolarHBondContact O-N 3.01Å; P149-R169 VanDerWaalsContact CD-NH1 3.32Å | ||
| 150 | K | 58.4 | Low | 72.4 | Confident | 156 Ų | 156 | 68.4 Ų | 68.4 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -47 | -32.1 | -178.1 | -73.5 | 179 | 178 | -171.3 | 0 | 115.2 | N145 I148 K152 L153 | N145-K150 WeakPolarHBondContact OD1-CG 3.32Å; I148-K150 PolarHBondContact O-N 3.29Å; K150-K152 PolarHBondContact O-N 3.14Å; K150-K152 VanDerWaalsContact O-N 3.08Å; K150-L153 PolarHBondContact O-N 3.45Å; K150-L153 VanDerWaalsContact O-N 3.17Å |
| 151 | C | 53.3 | Low | 72.5 | Confident | 97 Ų | 97 | 73 Ų | 73 | 66% | 0.655 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -69.3 | 3.4 | 175.8 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | P149 | P149-C151 PolarHBondContact O-N 3.2Š|
| 152 | K | 59.1 | Low | 72.6 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -130.5 | 11.9 | 174 | -64.5 | -177.4 | 123.2 | -148.1 | 0 | 112.5 | I148 P149 K150 L157 E165 R169 | I148-K152 HydrophobicContact CG2-CB 4.11Å; P149-K152 PolarHBondContact O-N 3.01Å; K150-K152 PolarHBondContact O-N 3.14Å; K150-K152 VanDerWaalsContact O-N 3.08Å; K152-L157 VanDerWaalsContact O-CD1 3.29Å; K152-L157 WeakPolarHBondContact O-CD1 3.48Å; K152-E165 WeakPolarHBondContact CD-OE1 3.25Å; K152-E165 IonicContact NZ-OE1 3.79Å; K152-E165 PolarHBondContact NZ-OE1 2.81Å; K152-E165 IonicContact NZ-OE2 2.86Å; K152-E165 PolarHBondContact NZ-OE2 2.93Å; K152-R169 VanDerWaalsContact CD-NH2 3.33Å |
| 153 | L | 65.1 | Low | 72.9 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -121.9 | 55.4 | 171.4 | -68.3 | 175.6 | 0 | 0 | 0 | 107.9 | K141 L144 I148 K150 I162 | K141-L153 WeakPolarHBondContact O-CD1 3.49Å; L144-L153 HydrophobicContact CB-CD1 3.96Å; I148-L153 HydrophobicContact CB-CD1 3.95Å; I148-L153 HydrophobicContact CB-CD2 4.37Å; I148-L153 HydrophobicContact CB-CG 4.09Å; I148-L153 HydrophobicContact CD1-CD2 4.4Å; I148-L153 HydrophobicContact CG2-CD1 4.12Å; I148-L153 HydrophobicContact CG2-CD2 3.99Å; I148-L153 HydrophobicContact CG2-CG 3.7Å; K150-L153 PolarHBondContact O-N 3.45Å; K150-L153 VanDerWaalsContact O-N 3.17Å; L153-I162 HydrophobicContact CD2-CG1 4.4Å |
| 154 | E | 63.8 | Low | 73.2 | Confident | 117 Ų | 117 | 63.8 Ų | 63.8 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | trans | -62.8 | 148.1 | 177.8 | -60.2 | -172.5 | -162.2 | 0 | 0 | 110.1 | K141 D156 L157 | K141-E154 PolarHBondContact NZ-O 2.95Å; E154-D156 VanDerWaalsContact CB-OD1 3.27Å; E154-D156 WeakPolarHBondContact CB-OD1 3.48Å; E154-D156 PolarHBondContact O-N 2.98Å; E154-D156 VanDerWaalsContact O-N 3.17Å; E154-L157 HydrophobicContact CB-CD1 4.44Å; E154-L157 HydrophobicContact CB-CG 4.29Å; E154-L157 PolarHBondContact O-N 3.46Å | ||
| 155 | D | 62.2 | Low | 73.3 | Confident | 158 Ų | 158 | 64.9 Ų | 64.9 | 85% | 0.845 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.8 | -167.5 | -77.6 | -41.2 | 0 | 0 | 0 | 113.1 | K141 | K141-D155 PolarHBondContact NZ-O 2.7Š|
| 156 | D | 66.3 | Low | 73.7 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 68% | 0.684 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -18.8 | 178.9 | 62.3 | -23.5 | 0 | 0 | 0 | 114.9 | E154 S158 | E154-D156 VanDerWaalsContact CB-OD1 3.27Å; E154-D156 WeakPolarHBondContact CB-OD1 3.48Å; E154-D156 PolarHBondContact O-N 2.98Å; E154-D156 VanDerWaalsContact O-N 3.17Å; D156-S158 PolarHBondContact O-N 3.48Å |
| 157 | L | 78.3 | Confident | 74.8 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | trans | -58.9 | 131.6 | -178.1 | -67.9 | 176.2 | 0 | 0 | 0 | 113.1 | K141 K152 E154 E161 | K141-L157 WeakPolarHBondContact CE-O 3.36Å; K141-L157 PolarHBondContact NZ-O 3.1Å; K152-L157 VanDerWaalsContact O-CD1 3.29Å; K152-L157 WeakPolarHBondContact O-CD1 3.48Å; E154-L157 HydrophobicContact CB-CD1 4.44Å; E154-L157 HydrophobicContact CB-CG 4.29Å; E154-L157 PolarHBondContact O-N 3.46Å; L157-E161 HydrophobicContact CD2-CB 4.22Å | ||
| 158 | S | 84.9 | Confident | 75.5 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | trans | -73.4 | 160.8 | 173 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | D156 L160 E161 I162 | D156-S158 PolarHBondContact O-N 3.48Å; S158-L160 PolarHBondContact O-N 3.35Å; S158-E161 WeakPolarHBondContact CB-OE2 3.41Å; S158-E161 PolarHBondContact N-OE2 3.18Å; S158-E161 PolarHBondContact O-N 3Å; S158-E161 VanDerWaalsContact OG-CD 3.32Å; S158-E161 WeakPolarHBondContact OG-CG 3.43Å; S158-E161 PolarHBondContact OG-N 3.18Å; S158-E161 PolarHBondContact OG-OE2 3.22Å; S158-I162 WeakPolarHBondContact O-CG1 3.42Å; S158-I162 PolarHBondContact O-N 3.1Å; S158-I162 VanDerWaalsContact O-N 3.09Å | ||
| 159 | L | 86.4 | Confident | 75.8 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -30.8 | 176.8 | -170.6 | 54.9 | 0 | 0 | 0 | 112.5 | V132 L137 F140 I162 F163 | V132-L159 HydrophobicContact CB-CD2 3.68Å; V132-L159 HydrophobicContact CG1-CD2 3.8Å; V132-L159 HydrophobicContact CG2-CD2 3.6Å; L137-L159 HydrophobicContact CD1-CB 3.87Å; L137-L159 HydrophobicContact CD1-CD1 3.99Å; L137-L159 HydrophobicContact CD1-CG 4.44Å; F140-L159 HydrophobicContact CB-CD1 4.44Å; F140-L159 HydrophobicContact CD1-CD1 3.78Å; F140-L159 HydrophobicContact CE1-CD1 4.18Å; F140-L159 HydrophobicContact CG-CD1 4.11Å; L159-I162 HydrophobicContact CD1-CB 4.24Å; L159-I162 HydrophobicContact CD1-CD1 4.24Å; L159-I162 HydrophobicContact CD1-CG2 4.35Å; L159-I162 WeakPolarHBondContact O-CB 3.28Å; L159-I162 PolarHBondContact O-N 2.95Å; L159-F163 HydrophobicContact CD1-CD1 4.29Å; L159-F163 HydrophobicContact CD1-CE1 3.77Å; L159-F163 HydrophobicContact CD1-CZ 3.94Å; L159-F163 HydrophobicContact CD2-CE1 4.32Å; L159-F163 HydrophobicContact CD2-CE2 4.09Å; L159-F163 HydrophobicContact CD2-CZ 3.66Å; L159-F163 HydrophobicContact CG-CD1 4.48Å; L159-F163 HydrophobicContact CG-CD2 4.35Å; L159-F163 HydrophobicContact CG-CE1 3.91Å; L159-F163 HydrophobicContact CG-CE2 3.78Å; L159-F163 HydrophobicContact CG-CZ 3.54Å; L159-F163 WeakPolarHBondContact O-CD2 3.39Å; L159-F163 WeakPolarHBondContact O-CG 3.31Å; L159-F163 PolarHBondContact O-N 3.09Å |
| 160 | L | 88.4 | Confident | 76.5 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.3 | -65.2 | -179.1 | 0 | 0 | 0 | 111.8 | F44 F126 S129 S158 I162 F163 V164 | F44-L160 HydrophobicContact CB-CB 4.49Å; F44-L160 HydrophobicContact CB-CD1 4.03Å; F44-L160 HydrophobicContact CB-CD2 4.41Å; F44-L160 HydrophobicContact CD1-CD2 3.72Å; F44-L160 HydrophobicContact CD2-CB 3.9Å; F44-L160 HydrophobicContact CD2-CD2 3.87Å; F44-L160 HydrophobicContact CD2-CG 4.37Å; F44-L160 HydrophobicContact CE1-CD2 3.87Å; F44-L160 HydrophobicContact CE2-CB 4.41Å; F44-L160 HydrophobicContact CE2-CD2 4.01Å; F44-L160 HydrophobicContact CG-CB 4.24Å; F44-L160 HydrophobicContact CG-CD1 4.25Å; F44-L160 HydrophobicContact CG-CD2 3.72Å; F44-L160 HydrophobicContact CG-CG 4.29Å; F44-L160 HydrophobicContact CZ-CD2 4.01Å; F126-L160 HydrophobicContact CD2-CD1 4.07Å; F126-L160 HydrophobicContact CD2-CD2 4.2Å; F126-L160 HydrophobicContact CE2-CD1 4.3Å; S129-L160 WeakPolarHBondContact OG-CD2 3.34Å; S158-L160 PolarHBondContact O-N 3.35Å; L160-I162 VanDerWaalsContact C-N 3.35Å; L160-F163 HydrophobicContact CD2-CD2 4.39Å; L160-F163 PolarHBondContact O-N 3.1Å; L160-V164 WeakPolarHBondContact O-CG2 3.38Å; L160-V164 PolarHBondContact O-N 3.04Å |
| 161 | E | 85.3 | Confident | 77.5 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.8 | -34.1 | 175.9 | -70.2 | 163.5 | 126 | 0 | 0 | 112.3 | L157 S158 V164 E165 | L157-E161 HydrophobicContact CD2-CB 4.22Å; S158-E161 WeakPolarHBondContact CB-OE2 3.41Å; S158-E161 PolarHBondContact N-OE2 3.18Å; S158-E161 PolarHBondContact O-N 3Å; S158-E161 VanDerWaalsContact OG-CD 3.32Å; S158-E161 WeakPolarHBondContact OG-CG 3.43Å; S158-E161 PolarHBondContact OG-N 3.18Å; S158-E161 PolarHBondContact OG-OE2 3.22Å; E161-V164 PolarHBondContact O-N 2.83Å; E161-E165 PolarHBondContact O-N 2.99Å |
| 162 | I | 85.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | 171.4 | -65.9 | 172.2 | 0 | 0 | 0 | 110.5 | L137 K141 L144 L153 S158 L159 L160 V164 E165 M166 | L137-I162 HydrophobicContact CD1-CD1 3.61Å; K141-I162 HydrophobicContact CD-CD1 4.39Å; K141-I162 HydrophobicContact CG-CD1 3.67Å; L144-I162 HydrophobicContact CD1-CG2 3.36Å; L153-I162 HydrophobicContact CD2-CG1 4.4Å; S158-I162 WeakPolarHBondContact O-CG1 3.42Å; S158-I162 PolarHBondContact O-N 3.1Å; S158-I162 VanDerWaalsContact O-N 3.09Å; L159-I162 HydrophobicContact CD1-CB 4.24Å; L159-I162 HydrophobicContact CD1-CD1 4.24Å; L159-I162 HydrophobicContact CD1-CG2 4.35Å; L159-I162 WeakPolarHBondContact O-CB 3.28Å; L159-I162 PolarHBondContact O-N 2.95Å; L160-I162 VanDerWaalsContact C-N 3.35Å; I162-V164 VanDerWaalsContact C-N 3.27Å; I162-V164 PolarHBondContact O-N 3.37Å; I162-E165 CarbonylContact O-C 3.54Å; I162-E165 PolarHBondContact O-N 2.86Å; I162-M166 HydrophobicContact CG2-CG 4.35Å; I162-M166 HydrophobicContact CG2-SD 4.04Å; I162-M166 WeakPolarHBondContact O-CG 3.45Å; I162-M166 PolarHBondContact O-N 3.39Å |
| 163 | F | 89.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -40.7 | 176.1 | -66.4 | -28 | 0 | 0 | 0 | 111.9 | F44 L125 L128 F140 L159 L160 E165 M166 E167 L172 L180 | F44-F163 HydrophobicContact CE2-CB 4.16Å; F44-F163 HydrophobicContact CZ-CB 4.45Å; F44-F163 HydrophobicContact CZ-CD2 4.37Å; L125-F163 HydrophobicContact CB-CD2 3.96Å; L125-F163 HydrophobicContact CB-CE2 4.15Å; L125-F163 HydrophobicContact CD1-CB 4.45Å; L125-F163 HydrophobicContact CD2-CD2 4.22Å; L125-F163 HydrophobicContact CD2-CE2 4.21Å; L125-F163 HydrophobicContact CD2-CG 4.41Å; L125-F163 HydrophobicContact CD2-CZ 4.4Å; L125-F163 HydrophobicContact CG-CD2 4.47Å; L125-F163 WeakPolarHBondContact O-CE2 3.49Å; L128-F163 HydrophobicContact CB-CE2 4.35Å; L128-F163 HydrophobicContact CB-CZ 4.21Å; F140-F163 HydrophobicContact CE1-CE1 4.38Å; L159-F163 HydrophobicContact CD1-CD1 4.29Å; L159-F163 HydrophobicContact CD1-CE1 3.77Å; L159-F163 HydrophobicContact CD1-CZ 3.94Å; L159-F163 HydrophobicContact CD2-CE1 4.32Å; L159-F163 HydrophobicContact CD2-CE2 4.09Å; L159-F163 HydrophobicContact CD2-CZ 3.66Å; L159-F163 HydrophobicContact CG-CD1 4.48Å; L159-F163 HydrophobicContact CG-CD2 4.35Å; L159-F163 HydrophobicContact CG-CE1 3.91Å; L159-F163 HydrophobicContact CG-CE2 3.78Å; L159-F163 HydrophobicContact CG-CZ 3.54Å; L159-F163 WeakPolarHBondContact O-CD2 3.39Å; L159-F163 WeakPolarHBondContact O-CG 3.31Å; L159-F163 PolarHBondContact O-N 3.09Å; L160-F163 HydrophobicContact CD2-CD2 4.39Å; L160-F163 PolarHBondContact O-N 3.1Å; F163-E165 PolarHBondContact O-N 3.48Å; F163-M166 HydrophobicContact CD1-SD 4.15Å; F163-M166 PolarHBondContact O-N 3.16Å; F163-E167 WeakPolarHBondContact O-CG 2.97Å; F163-E167 PolarHBondContact O-N 3.02Å; F163-L172 HydrophobicContact CB-CD2 3.89Å; F163-L172 HydrophobicContact CD1-CD2 3.83Å; F163-L172 HydrophobicContact CG-CD2 4.07Å; F163-L180 HydrophobicContact CE1-CD1 3.62Å; F163-L180 HydrophobicContact CE1-CD2 4.36Å; F163-L180 HydrophobicContact CZ-CD1 4.25Å |
| 164 | V | 85.6 | Confident | 81.3 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 173.4 | 166.8 | 0 | 0 | 0 | 0 | 112.6 | F44 L47 H52 L160 E161 I162 K168 | F44-V164 HydrophobicContact CD2-CG2 3.91Å; F44-V164 HydrophobicContact CE2-CG2 3.98Å; L47-V164 HydrophobicContact CD1-CG2 3.46Å; L47-V164 VanDerWaalsContact CD1-CG2 3.46Å; H52-V164 VanDerWaalsContact CD2-CG1 3.45Å; H52-V164 WeakPolarHBondContact CD2-CG1 3.39Å; L160-V164 WeakPolarHBondContact O-CG2 3.38Å; L160-V164 PolarHBondContact O-N 3.04Å; E161-V164 PolarHBondContact O-N 2.83Å; I162-V164 VanDerWaalsContact C-N 3.27Å; I162-V164 PolarHBondContact O-N 3.37Å; V164-K168 HydrophobicContact CG1-CD 4.21Å; V164-K168 VanDerWaalsContact CG1-CE 3.45Å; V164-K168 WeakPolarHBondContact O-CB 3.47Å; V164-K168 WeakPolarHBondContact O-CD 3.24Å; V164-K168 WeakPolarHBondContact O-CG 3.37Å; V164-K168 PolarHBondContact O-N 3.43Å |
| 165 | E | 82.6 | Confident | 81.9 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.6 | -31.7 | 175.4 | -177.7 | 65 | -166.1 | 0 | 0 | 112.3 | I148 K152 E161 I162 F163 K168 R169 | I148-E165 HydrophobicContact CD1-CG 4.33Å; I148-E165 HydrophobicContact CG2-CG 4.35Å; K152-E165 WeakPolarHBondContact CD-OE1 3.25Å; K152-E165 IonicContact NZ-OE1 3.79Å; K152-E165 PolarHBondContact NZ-OE1 2.81Å; K152-E165 IonicContact NZ-OE2 2.86Å; K152-E165 PolarHBondContact NZ-OE2 2.93Å; E161-E165 PolarHBondContact O-N 2.99Å; I162-E165 CarbonylContact O-C 3.54Å; I162-E165 PolarHBondContact O-N 2.86Å; F163-E165 PolarHBondContact O-N 3.48Å; E165-K168 PolarHBondContact O-N 3.32Å; E165-K168 WeakPolarHBondContact OE2-CD 3.31Å; E165-R169 WeakPolarHBondContact O-CD 3.37Å; E165-R169 VanDerWaalsContact O-CG 3.24Å; E165-R169 WeakPolarHBondContact O-CG 3.47Å; E165-R169 PolarHBondContact O-N 2.66Å; E165-R169 IonicContact OE1-CZ 3.24Å; E165-R169 IonicContact OE1-NE 3.98Å; E165-R169 PolarHBondContact OE1-NE 3.31Å; E165-R169 IonicContact OE1-NH2 2.73Å; E165-R169 PolarHBondContact OE1-NH2 3.21Å |
| 166 | M | 83.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 169.7 | -66.4 | 172.8 | 72.5 | 0 | 0 | 111.5 | L144 I148 I162 F163 R169 T170 M171 L172 T179 I183 | L144-M166 HydrophobicContact CD1-SD 4.02Å; L144-M166 HydrophobicContact CD2-CE 4.15Å; L144-M166 HydrophobicContact CD2-CG 4.31Å; L144-M166 HydrophobicContact CD2-SD 4.14Å; I148-M166 HydrophobicContact CD1-CG 4.08Å; I162-M166 HydrophobicContact CG2-CG 4.35Å; I162-M166 HydrophobicContact CG2-SD 4.04Å; I162-M166 WeakPolarHBondContact O-CG 3.45Å; I162-M166 PolarHBondContact O-N 3.39Å; F163-M166 HydrophobicContact CD1-SD 4.15Å; F163-M166 PolarHBondContact O-N 3.16Å; M166-R169 CarbonylContact O-C 3.55Å; M166-R169 PolarHBondContact O-N 3.41Å; M166-R169 VanDerWaalsContact O-N 3.13Å; M166-T170 PolarHBondContact O-N 3.32Å; M166-M171 HydrophobicContact CB-CB 4.4Å; M166-M171 PolarHBondContact O-N 3.19Å; M166-L172 HydrophobicContact CB-CB 3.74Å; M166-L172 HydrophobicContact CB-CD2 4.28Å; M166-L172 HydrophobicContact CE-CB 4.44Å; M166-L172 HydrophobicContact SD-CD2 4.5Å; M166-T179 HydrophobicContact CE-CG2 3.89Å; M166-I183 HydrophobicContact CE-CD1 4.16Å |
| 167 | E | 87.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 173 | -77.4 | -179.2 | -172.6 | 0 | 0 | 112 | Y121 R122 F163 R169 T170 L172 | Y121-E167 VanDerWaalsContact CE1-OE1 3.27Å; Y121-E167 WeakPolarHBondContact CE1-OE1 3.4Å; Y121-E167 PolarHBondContact OH-OE1 3.48Å; R122-E167 IonicContact CZ-OE1 2.65Å; R122-E167 IonicContact CZ-OE2 2.66Å; R122-E167 IonicContact NH1-OE1 2.64Å; R122-E167 PolarHBondContact NH1-OE1 3.14Å; R122-E167 IonicContact NH1-OE2 3.79Å; R122-E167 PolarHBondContact NH1-OE2 3.43Å; R122-E167 IonicContact NH2-OE1 3.76Å; R122-E167 PolarHBondContact NH2-OE1 2.79Å; R122-E167 IonicContact NH2-OE2 2.83Å; R122-E167 PolarHBondContact NH2-OE2 2.58Å; F163-E167 WeakPolarHBondContact O-CG 2.97Å; F163-E167 PolarHBondContact O-N 3.02Å; E167-R169 PolarHBondContact O-N 3.44Å; E167-T170 PolarHBondContact O-N 3.35Å; E167-L172 HydrophobicContact CG-CB 4.28Å |
| 168 | K | 82.6 | Confident | 84.1 | Confident | 110 Ų | 110 | 49.3 Ų | 49.3 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57 | -23.4 | 174.5 | -75.2 | 164.6 | -172.9 | 159.6 | 0 | 112.8 | H52 V164 E165 | H52-K168 PolarHBondContact CE1-NZ 3.45Å; H52-K168 PolarHBondContact NE2-NZ 3.48Å; V164-K168 HydrophobicContact CG1-CD 4.21Å; V164-K168 VanDerWaalsContact CG1-CE 3.45Å; V164-K168 WeakPolarHBondContact O-CB 3.47Å; V164-K168 WeakPolarHBondContact O-CD 3.24Å; V164-K168 WeakPolarHBondContact O-CG 3.37Å; V164-K168 PolarHBondContact O-N 3.43Å; E165-K168 PolarHBondContact O-N 3.32Å; E165-K168 WeakPolarHBondContact OE2-CD 3.31Å |
| 169 | R | 77.3 | Confident | 84 | Confident | 67 Ų | 67 | 48.7 Ų | 48.7 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3.9 | 178.2 | -67.7 | 167.4 | -179.5 | -98.4 | -10.3 | 113.9 | E147 P149 K152 E165 M166 E167 M171 | E147-R169 PolarHBondContact O-NH1 2.78Å; P149-R169 VanDerWaalsContact CD-NH1 3.32Å; K152-R169 VanDerWaalsContact CD-NH2 3.33Å; E165-R169 WeakPolarHBondContact O-CD 3.37Å; E165-R169 VanDerWaalsContact O-CG 3.24Å; E165-R169 WeakPolarHBondContact O-CG 3.47Å; E165-R169 PolarHBondContact O-N 2.66Å; E165-R169 IonicContact OE1-CZ 3.24Å; E165-R169 IonicContact OE1-NE 3.98Å; E165-R169 PolarHBondContact OE1-NE 3.31Å; E165-R169 IonicContact OE1-NH2 2.73Å; E165-R169 PolarHBondContact OE1-NH2 3.21Å; M166-R169 CarbonylContact O-C 3.55Å; M166-R169 PolarHBondContact O-N 3.41Å; M166-R169 VanDerWaalsContact O-N 3.13Å; E167-R169 PolarHBondContact O-N 3.44Å; R169-M171 HydrophobicContact CB-CG 3.7Å; R169-M171 HydrophobicContact CB-SD 3.97Å; R169-M171 WeakPolarHBondContact O-CG 3.48Å; R169-M171 PolarHBondContact O-N 2.76Å |
| 170 | T | 80.9 | Confident | 84.1 | Confident | 118 Ų | 118 | 48.3 Ų | 48.3 | 72% | 0.724 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 21 | -175.5 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | M166 E167 N176 | M166-T170 PolarHBondContact O-N 3.32Å; E167-T170 PolarHBondContact O-N 3.35Å; T170-N176 PolarHBondContact O-ND2 2.87Å |
| 171 | M | 80.7 | Confident | 83.9 | Confident | 34 Ų | 34 | 48.9 Ų | 48.9 | 17% | 0.167 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -90.3 | -12.5 | 180 | -56.1 | -170.6 | 65.6 | 0 | 0 | 112.9 | E147 M166 R169 T179 | E147-M171 HydrophobicContact CB-CE 3.63Å; E147-M171 HydrophobicContact CB-SD 4.15Å; E147-M171 HydrophobicContact CG-CE 3.88Å; E147-M171 WeakPolarHBondContact OE2-CE 3.39Å; M166-M171 HydrophobicContact CB-CB 4.4Å; M166-M171 PolarHBondContact O-N 3.19Å; R169-M171 HydrophobicContact CB-CG 3.7Å; R169-M171 HydrophobicContact CB-SD 3.97Å; R169-M171 WeakPolarHBondContact O-CG 3.48Å; R169-M171 PolarHBondContact O-N 2.76Å; M171-T179 HydrophobicContact CE-CG2 4.03Å |
| 172 | L | 87.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -139.1 | 130.3 | 177.9 | -171.5 | 60.9 | 0 | 0 | 0 | 108.5 | L125 F163 M166 E167 L177 L180 | L125-L172 HydrophobicContact CD1-CD2 3.93Å; L125-L172 HydrophobicContact CD2-CD2 4.02Å; F163-L172 HydrophobicContact CB-CD2 3.89Å; F163-L172 HydrophobicContact CD1-CD2 3.83Å; F163-L172 HydrophobicContact CG-CD2 4.07Å; M166-L172 HydrophobicContact CB-CB 3.74Å; M166-L172 HydrophobicContact CB-CD2 4.28Å; M166-L172 HydrophobicContact CE-CB 4.44Å; M166-L172 HydrophobicContact SD-CD2 4.5Å; E167-L172 HydrophobicContact CG-CB 4.28Å; L172-L177 HydrophobicContact CD1-CD2 3.76Å; L172-L180 HydrophobicContact CD1-CB 3.74Å; L172-L180 HydrophobicContact CD1-CD2 3.75Å; L172-L180 HydrophobicContact CD1-CG 4.37Å; L172-L180 HydrophobicContact CD2-CD2 4.49Å | ||
| 173 | A | 84.9 | Confident | 83.9 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 26% | 0.256 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -159.1 | 166.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y121 N175 N176 L177 | Y121-A173 VanDerWaalsContact CE2-C 3.41Å; Y121-A173 WeakPolarHBondContact OH-CA 3.43Å; A173-N175 PolarHBondContact O-N 3.4Å; A173-N175 VanDerWaalsContact O-N 3.12Å; A173-N176 HydrophobicContact CB-CB 4.19Å; A173-N176 PolarHBondContact N-O 3.36Å; A173-N176 CarbonylContact O-C 3.55Å; A173-N176 VanDerWaalsContact O-C 3.27Å; A173-N176 PolarHBondContact O-N 3.08Å; A173-N176 VanDerWaalsContact O-O 3.06Å; A173-L177 WeakPolarHBondContact O-CD2 3.48Å |
| 174 | E | 83.1 | Confident | 83.7 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 51% | 0.514 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -33.9 | 176.3 | 169 | 159.4 | -131.6 | 0 | 0 | 113.7 | Y121 Y198 | Y121-E174 HydrophobicContact CD1-CB 4.42Å; Y121-E174 HydrophobicContact CD2-CB 4Å; Y121-E174 HydrophobicContact CE2-CB 4.49Å; Y121-E174 HydrophobicContact CG-CB 3.95Å; E174-Y198 WeakPolarHBondContact CG-OH 3.31Å; E174-Y198 PolarHBondContact OE1-OH 3.49Å |
| 175 | N | 76.8 | Confident | 83.6 | Confident | 145 Ų | 145 | 50.4 Ų | 50.4 | 78% | 0.775 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.2 | 177.3 | 67.9 | -26.4 | 0 | 0 | 0 | 114.1 | A173 | A173-N175 PolarHBondContact O-N 3.4Å; A173-N175 VanDerWaalsContact O-N 3.12Å |
| 176 | N | 82.1 | Confident | 83.5 | Confident | 57 Ų | 57 | 55 Ų | 55 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -143.3 | 90.2 | 178.8 | -177.2 | 20.9 | 0 | 0 | 0 | 110.3 | T170 A173 | T170-N176 PolarHBondContact O-ND2 2.87Å; A173-N176 HydrophobicContact CB-CB 4.19Å; A173-N176 PolarHBondContact N-O 3.36Å; A173-N176 CarbonylContact O-C 3.55Å; A173-N176 VanDerWaalsContact O-C 3.27Å; A173-N176 PolarHBondContact O-N 3.08Å; A173-N176 VanDerWaalsContact O-O 3.06Å |
| 177 | L | 86.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | trans | -108.8 | 2.4 | -180 | -59.7 | 176 | 0 | 0 | 0 | 112.6 | Y121 M124 L172 A173 T179 L180 K181 I195 Y198 E199 | Y121-L177 HydrophobicContact CD2-CD2 4.36Å; Y121-L177 HydrophobicContact CE2-CD2 3.91Å; M124-L177 HydrophobicContact CE-CD1 4.05Å; M124-L177 HydrophobicContact CE-CD2 3.88Å; L172-L177 HydrophobicContact CD1-CD2 3.76Å; A173-L177 WeakPolarHBondContact O-CD2 3.48Å; L177-T179 PolarHBondContact O-N 2.82Å; L177-L180 CarbonylContact O-C 3.51Å; L177-L180 PolarHBondContact O-N 3.31Å; L177-L180 VanDerWaalsContact O-N 3.1Å; L177-K181 WeakPolarHBondContact O-CG 3.3Å; L177-K181 PolarHBondContact O-N 3Å; L177-I195 HydrophobicContact CB-CG2 4.14Å; L177-I195 HydrophobicContact CD1-CG2 3.87Å; L177-Y198 HydrophobicContact CD1-CD1 3.79Å; L177-Y198 HydrophobicContact CD1-CE1 3.83Å; L177-E199 HydrophobicContact CD1-CG 4.15Å | ||
| 178 | E | 84.5 | Confident | 83 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 52% | 0.523 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | -170.2 | -65.8 | -55.6 | 128 | 0 | 0 | 113.8 | L180 K181 S182 | E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 2.79Å; E178-K181 PolarHBondContact O-N 3.18Å; E178-K181 WeakPolarHBondContact OE1-CD 3.44Å; E178-K181 IonicContact OE1-NZ 2.69Å; E178-K181 PolarHBondContact OE1-NZ 3.1Å; E178-S182 WeakPolarHBondContact O-CB 3.49Å; E178-S182 PolarHBondContact O-N 3.12Å |
| 179 | T | 83.8 | Confident | 82.8 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 173.6 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | E147 M166 M171 L177 S182 I183 | E147-T179 WeakPolarHBondContact OE2-CG2 3.38Å; M166-T179 HydrophobicContact CE-CG2 3.89Å; M171-T179 HydrophobicContact CE-CG2 4.03Å; L177-T179 PolarHBondContact O-N 2.82Å; T179-S182 PolarHBondContact O-N 2.82Å; T179-I183 HydrophobicContact CG2-CD1 3.94Å; T179-I183 WeakPolarHBondContact O-CD1 3.48Å; T179-I183 VanDerWaalsContact O-CG1 3.28Å; T179-I183 WeakPolarHBondContact O-CG1 3.26Å; T179-I183 PolarHBondContact O-N 2.84Å; T179-I183 VanDerWaalsContact O-N 3.1Å |
| 180 | L | 86.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -41.6 | 178.3 | -179.9 | 60.3 | 0 | 0 | 0 | 112.1 | L125 L128 F140 F163 L172 L177 E178 S182 I183 C184 I195 | L125-L180 HydrophobicContact CD2-CD2 3.51Å; L128-L180 HydrophobicContact CD1-CD2 3.9Å; F140-L180 HydrophobicContact CE1-CD1 3.78Å; F140-L180 HydrophobicContact CZ-CD1 4.34Å; F163-L180 HydrophobicContact CE1-CD1 3.62Å; F163-L180 HydrophobicContact CE1-CD2 4.36Å; F163-L180 HydrophobicContact CZ-CD1 4.25Å; L172-L180 HydrophobicContact CD1-CB 3.74Å; L172-L180 HydrophobicContact CD1-CD2 3.75Å; L172-L180 HydrophobicContact CD1-CG 4.37Å; L172-L180 HydrophobicContact CD2-CD2 4.49Å; L177-L180 CarbonylContact O-C 3.51Å; L177-L180 PolarHBondContact O-N 3.31Å; L177-L180 VanDerWaalsContact O-N 3.1Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 2.79Å; L180-S182 PolarHBondContact O-N 2.96Å; L180-I183 PolarHBondContact O-N 2.73Å; L180-C184 WeakPolarHBondContact O-CB 3.19Å; L180-C184 PolarHBondContact O-N 3.07Å; L180-C184 PolarHBondContact O-SG 2.97Å; L180-C184 VanDerWaalsContact O-SG 3.33Å; L180-I195 HydrophobicContact CD2-CD1 4.07Å; L180-I195 HydrophobicContact CG-CD1 3.83Å |
| 181 | K | 86.1 | Confident | 83 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -48.3 | 172.5 | -74.8 | 165.5 | 161.9 | 167.9 | 0 | 111.7 | L177 E178 I183 C184 D185 L192 I195 E199 | L177-K181 WeakPolarHBondContact O-CG 3.3Å; L177-K181 PolarHBondContact O-N 3Å; E178-K181 PolarHBondContact O-N 3.18Å; E178-K181 WeakPolarHBondContact OE1-CD 3.44Å; E178-K181 IonicContact OE1-NZ 2.69Å; E178-K181 PolarHBondContact OE1-NZ 3.1Å; K181-I183 VanDerWaalsContact C-N 3.3Å; K181-I183 PolarHBondContact O-N 3.21Å; K181-C184 PolarHBondContact O-N 3.15Å; K181-D185 PolarHBondContact O-N 2.86Å; K181-L192 HydrophobicContact CB-CD1 3.88Å; K181-L192 HydrophobicContact CG-CD1 3.88Å; K181-I195 HydrophobicContact CD-CG2 4.45Å; K181-I195 HydrophobicContact CG-CG2 3.81Å; K181-E199 VanDerWaalsContact CE-CD 3.47Å; K181-E199 WeakPolarHBondContact CE-OE1 3.47Å; K181-E199 WeakPolarHBondContact CE-OE2 3.29Å; K181-E199 IonicContact NZ-OE1 2.8Å; K181-E199 PolarHBondContact NZ-OE1 3.46Å; K181-E199 IonicContact NZ-OE2 2.66Å; K181-E199 PolarHBondContact NZ-OE2 2.95Å |
| 182 | S | 84.9 | Confident | 83 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 47% | 0.469 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | E178 T179 L180 Q186 | E178-S182 WeakPolarHBondContact O-CB 3.49Å; E178-S182 PolarHBondContact O-N 3.12Å; T179-S182 PolarHBondContact O-N 2.82Å; L180-S182 PolarHBondContact O-N 2.96Å; S182-Q186 WeakPolarHBondContact O-CG 3.35Å; S182-Q186 PolarHBondContact O-N 3.03Å; S182-Q186 PolarHBondContact O-NE2 3.41Å |
| 183 | I | 84.1 | Confident | 82.7 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72 | -44.5 | 175.3 | -63.4 | 161.9 | 0 | 0 | 0 | 110.6 | F140 L143 L144 M166 T179 L180 K181 D185 Q186 V187 | F140-I183 HydrophobicContact CD1-CG2 3.4Å; F140-I183 VanDerWaalsContact CD1-CG2 3.4Å; F140-I183 HydrophobicContact CD2-CG2 4.24Å; F140-I183 HydrophobicContact CE1-CB 4.31Å; F140-I183 HydrophobicContact CE1-CG2 3.47Å; F140-I183 VanDerWaalsContact CE1-CG2 3.47Å; F140-I183 HydrophobicContact CE2-CG2 4.29Å; F140-I183 HydrophobicContact CG-CG2 3.81Å; F140-I183 HydrophobicContact CZ-CG2 3.93Å; L143-I183 HydrophobicContact CB-CG1 4.5Å; L143-I183 HydrophobicContact CD1-CG2 4.05Å; L144-I183 HydrophobicContact CD1-CD1 4.45Å; L144-I183 HydrophobicContact CD2-CD1 3.52Å; L144-I183 HydrophobicContact CG-CD1 3.82Å; M166-I183 HydrophobicContact CE-CD1 4.16Å; T179-I183 HydrophobicContact CG2-CD1 3.94Å; T179-I183 WeakPolarHBondContact O-CD1 3.48Å; T179-I183 VanDerWaalsContact O-CG1 3.28Å; T179-I183 WeakPolarHBondContact O-CG1 3.26Å; T179-I183 PolarHBondContact O-N 2.84Å; T179-I183 VanDerWaalsContact O-N 3.1Å; L180-I183 PolarHBondContact O-N 2.73Å; K181-I183 VanDerWaalsContact C-N 3.3Å; K181-I183 PolarHBondContact O-N 3.21Å; I183-D185 PolarHBondContact O-N 2.91Å; I183-Q186 PolarHBondContact O-N 2.79Å; I183-V187 HydrophobicContact CG2-CG2 4.09Å; I183-V187 WeakPolarHBondContact O-CB 3.23Å; I183-V187 WeakPolarHBondContact O-CG2 3.09Å; I183-V187 PolarHBondContact O-N 3.39Å |
| 184 | C | 85.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 177.3 | -75.5 | 0 | 0 | 0 | 0 | 112.8 | L180 K181 Q186 V187 N188 L191 L192 I195 | L180-C184 WeakPolarHBondContact O-CB 3.19Å; L180-C184 PolarHBondContact O-N 3.07Å; L180-C184 PolarHBondContact O-SG 2.97Å; L180-C184 VanDerWaalsContact O-SG 3.33Å; K181-C184 PolarHBondContact O-N 3.15Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 2.8Å; C184-V187 PolarHBondContact O-N 2.92Å; C184-N188 CarbonylContact O-C 3.59Å; C184-N188 WeakPolarHBondContact O-CA 3.44Å; C184-N188 PolarHBondContact O-N 3.15Å; C184-L191 HydrophobicContact CB-CB 4.17Å; C184-L192 HydrophobicContact CB-CB 4.44Å; C184-I195 HydrophobicContact CB-CD1 4.22Å |
| 185 | D | 83.4 | Confident | 82.7 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -33.9 | 177 | -173 | 60.5 | 0 | 0 | 0 | 112.6 | K181 I183 K189 L192 | K181-D185 PolarHBondContact O-N 2.86Å; I183-D185 PolarHBondContact O-N 2.91Å; D185-K189 IonicContact OD1-NZ 2.68Å; D185-K189 PolarHBondContact OD1-NZ 2.85Å; D185-K189 IonicContact OD2-NZ 3.47Å; D185-K189 PolarHBondContact OD2-NZ 2.87Å; D185-L192 HydrophobicContact CB-CD2 4.27Å |
| 186 | Q | 80.4 | Confident | 83 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 56% | 0.556 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -79.9 | -35 | 177.9 | -71.6 | 175.7 | 80.7 | 0 | 0 | 113.5 | L143 S182 I183 C184 | L143-Q186 HydrophobicContact CD1-CB 3.86Å; S182-Q186 WeakPolarHBondContact O-CG 3.35Å; S182-Q186 PolarHBondContact O-N 3.03Å; S182-Q186 PolarHBondContact O-NE2 3.41Å; I183-Q186 PolarHBondContact O-N 2.79Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 2.8Å |
| 187 | V | 81.8 | Confident | 83.1 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -91.3 | -53.9 | -177.3 | 180 | 0 | 0 | 0 | 0 | 112 | E136 F140 L143 I183 C184 | E136-V187 HydrophobicContact CB-CG1 3.51Å; E136-V187 HydrophobicContact CG-CG1 3.68Å; F140-V187 HydrophobicContact CD2-CB 4.2Å; F140-V187 HydrophobicContact CD2-CG1 3.91Å; F140-V187 HydrophobicContact CD2-CG2 4.01Å; F140-V187 HydrophobicContact CE2-CB 4.03Å; F140-V187 HydrophobicContact CE2-CG1 3.91Å; F140-V187 HydrophobicContact CE2-CG2 4.25Å; L143-V187 HydrophobicContact CD1-CG2 3.64Å; I183-V187 HydrophobicContact CG2-CG2 4.09Å; I183-V187 WeakPolarHBondContact O-CB 3.23Å; I183-V187 WeakPolarHBondContact O-CG2 3.09Å; I183-V187 PolarHBondContact O-N 3.39Å; C184-V187 PolarHBondContact O-N 2.92Å |
| 188 | N | 79.3 | Confident | 82.9 | Confident | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.219 | 25% | 0.253 | C | S | . | . | trans | -158.1 | 111.9 | -178.6 | -176.9 | -9.9 | 0 | 0 | 0 | 112.9 | E136 C184 S190 L191 | E136-N188 VanDerWaalsContact OE1-CB 3.24Å; E136-N188 WeakPolarHBondContact OE1-CB 3.36Å; E136-N188 PolarHBondContact OE1-ND2 3.16Å; C184-N188 CarbonylContact O-C 3.59Å; C184-N188 WeakPolarHBondContact O-CA 3.44Å; C184-N188 PolarHBondContact O-N 3.15Å; N188-S190 VanDerWaalsContact C-N 3.26Å; N188-S190 PolarHBondContact ND2-OG 3.47Å; N188-S190 PolarHBondContact O-N 2.78Å; N188-S190 PolarHBondContact OD1-N 2.78Å; N188-S190 PolarHBondContact OD1-OG 2.92Å; N188-L191 HydrophobicContact CB-CD1 3.86Å; N188-L191 HydrophobicContact CB-CG 4.01Å; N188-L191 VanDerWaalsContact O-CB 3.32Å; N188-L191 WeakPolarHBondContact O-CB 3.34Å; N188-L191 PolarHBondContact O-N 3.25Å | ||
| 189 | K | 79.3 | Confident | 82.8 | Confident | 137 Ų | 137 | 45.3 Ų | 45.3 | 60% | 0.596 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.5 | -18 | -178.3 | -60.5 | -174 | -179.1 | -102.3 | 0 | 114.8 | D185 L191 L192 G193 | D185-K189 IonicContact OD1-NZ 2.68Å; D185-K189 PolarHBondContact OD1-NZ 2.85Å; D185-K189 IonicContact OD2-NZ 3.47Å; D185-K189 PolarHBondContact OD2-NZ 2.87Å; K189-L191 VanDerWaalsContact C-N 3.29Å; K189-L192 PolarHBondContact O-N 3.5Å; K189-G193 PolarHBondContact O-N 3.39Å |
| 190 | S | 78.8 | Confident | 82.6 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.7 | -26.5 | 172.8 | 69 | 0 | 0 | 0 | 0 | 112.4 | N188 | N188-S190 VanDerWaalsContact C-N 3.26Å; N188-S190 PolarHBondContact ND2-OG 3.47Å; N188-S190 PolarHBondContact O-N 2.78Å; N188-S190 PolarHBondContact OD1-N 2.78Å; N188-S190 PolarHBondContact OD1-OG 2.92Å |
| 191 | L | 82.4 | Confident | 82 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.1 | -35.9 | 173.9 | -57.1 | 176.9 | 0 | 0 | 0 | 111.3 | L128 E131 V132 F140 C184 N188 K189 G193 K194 I195 | L128-L191 HydrophobicContact CD2-CB 3.95Å; L128-L191 HydrophobicContact CD2-CD2 3.92Å; L128-L191 HydrophobicContact CD2-CG 4.49Å; E131-L191 HydrophobicContact CB-CD2 4.08Å; V132-L191 HydrophobicContact CG2-CD1 3.41Å; V132-L191 VanDerWaalsContact CG2-CD1 3.41Å; V132-L191 HydrophobicContact CG2-CD2 4.31Å; F140-L191 HydrophobicContact CE2-CD1 4.22Å; F140-L191 HydrophobicContact CZ-CD1 4.42Å; C184-L191 HydrophobicContact CB-CB 4.17Å; N188-L191 HydrophobicContact CB-CD1 3.86Å; N188-L191 HydrophobicContact CB-CG 4.01Å; N188-L191 VanDerWaalsContact O-CB 3.32Å; N188-L191 WeakPolarHBondContact O-CB 3.34Å; N188-L191 PolarHBondContact O-N 3.25Å; K189-L191 VanDerWaalsContact C-N 3.29Å; L191-G193 PolarHBondContact O-N 3.06Å; L191-K194 WeakPolarHBondContact O-CB 3.34Å; L191-K194 PolarHBondContact O-N 3.37Å; L191-I195 PolarHBondContact O-N 3.28Å |
| 192 | L | 81.2 | Confident | 81.2 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.3 | -176.3 | 66.5 | 0 | 0 | 0 | 111.5 | K181 C184 D185 K189 K194 I195 E196 | K181-L192 HydrophobicContact CB-CD1 3.88Å; K181-L192 HydrophobicContact CG-CD1 3.88Å; C184-L192 HydrophobicContact CB-CB 4.44Å; D185-L192 HydrophobicContact CB-CD2 4.27Å; K189-L192 PolarHBondContact O-N 3.5Å; L192-K194 PolarHBondContact O-N 3.09Å; L192-I195 WeakPolarHBondContact O-CA 3.18Å; L192-I195 WeakPolarHBondContact O-CB 3.47Å; L192-I195 PolarHBondContact O-N 2.8Å; L192-E196 PolarHBondContact O-N 2.91Å |
| 193 | G | 80.1 | Confident | 80.2 | Confident | 25 Ų | 25 | 52 Ų | 52 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.3 | -34.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K189 L191 E196 D197 | K189-G193 PolarHBondContact O-N 3.39Å; L191-G193 PolarHBondContact O-N 3.06Å; G193-E196 PolarHBondContact O-N 2.6Å; G193-D197 WeakPolarHBondContact O-CB 3.31Å; G193-D197 PolarHBondContact O-N 3.27Å |
| 194 | K | 83.3 | Confident | 79.1 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.8 | -33.8 | 174.5 | -74.5 | -179.6 | 157.5 | -177.1 | 0 | 113.7 | K127 L128 E131 L191 L192 Y198 | K127-K194 PolarHBondContact O-NZ 3.19Å; L128-K194 HydrophobicContact CD2-CB 4.08Å; L128-K194 HydrophobicContact CD2-CD 3.98Å; E131-K194 IonicContact OE1-NZ 3.28Å; E131-K194 PolarHBondContact OE1-NZ 3.13Å; E131-K194 VanDerWaalsContact OE2-CE 3.25Å; E131-K194 WeakPolarHBondContact OE2-CE 3.07Å; E131-K194 IonicContact OE2-NZ 2.97Å; E131-K194 PolarHBondContact OE2-NZ 2.99Å; L191-K194 WeakPolarHBondContact O-CB 3.34Å; L191-K194 PolarHBondContact O-N 3.37Å; L192-K194 PolarHBondContact O-N 3.09Å; K194-Y198 WeakPolarHBondContact O-CB 3.41Å; K194-Y198 PolarHBondContact O-N 2.89Å |
| 195 | I | 85.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.6 | -43.2 | 175.9 | -62 | 168.7 | 0 | 0 | 0 | 109.2 | M124 L128 L177 L180 K181 C184 L191 L192 Y198 E199 | M124-I195 HydrophobicContact SD-CG1 4.2Å; L128-I195 HydrophobicContact CD1-CD1 4.03Å; L128-I195 HydrophobicContact CD1-CG1 3.91Å; L177-I195 HydrophobicContact CB-CG2 4.14Å; L177-I195 HydrophobicContact CD1-CG2 3.87Å; L180-I195 HydrophobicContact CD2-CD1 4.07Å; L180-I195 HydrophobicContact CG-CD1 3.83Å; K181-I195 HydrophobicContact CD-CG2 4.45Å; K181-I195 HydrophobicContact CG-CG2 3.81Å; C184-I195 HydrophobicContact CB-CD1 4.22Å; L191-I195 PolarHBondContact O-N 3.28Å; L192-I195 WeakPolarHBondContact O-CA 3.18Å; L192-I195 WeakPolarHBondContact O-CB 3.47Å; L192-I195 PolarHBondContact O-N 2.8Å; I195-Y198 WeakPolarHBondContact O-CB 3.44Å; I195-Y198 PolarHBondContact O-N 3.43Å; I195-E199 WeakPolarHBondContact O-CG 3.09Å; I195-E199 PolarHBondContact O-N 2.95Å |
| 196 | E | 83.6 | Confident | 76.5 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 42% | 0.416 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.6 | -66.6 | 177.6 | 177.1 | 0 | 0 | 112.6 | L192 G193 Y198 E199 R200 | L192-E196 PolarHBondContact O-N 2.91Å; G193-E196 PolarHBondContact O-N 2.6Å; E196-Y198 VanDerWaalsContact C-N 3.32Å; E196-Y198 PolarHBondContact O-N 3.24Å; E196-E199 PolarHBondContact O-N 3.12Å; E196-R200 WeakPolarHBondContact O-CB 3.33Å; E196-R200 PolarHBondContact O-N 2.74Å |
| 197 | D | 82.9 | Confident | 74.9 | Confident | 81 Ų | 81 | 67.1 Ų | 67.1 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 175 | -75 | -14.6 | 0 | 0 | 0 | 111.9 | G193 R200 S201 | G193-D197 WeakPolarHBondContact O-CB 3.31Å; G193-D197 PolarHBondContact O-N 3.27Å; D197-R200 IonicContact OD1-CZ 3.46Å; D197-R200 IonicContact OD1-NH1 2.68Å; D197-R200 PolarHBondContact OD1-NH1 2.94Å; D197-R200 IonicContact OD1-NH2 3.38Å; D197-R200 PolarHBondContact OD1-NH2 2.87Å; D197-S201 VanDerWaalsContact O-CB 3.26Å; D197-S201 WeakPolarHBondContact O-CB 3.23Å; D197-S201 PolarHBondContact O-N 3.13Å; D197-S201 PolarHBondContact O-OG 3.24Å |
| 198 | Y | 84.3 | Confident | 73.5 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 7% | 0.071 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 172.2 | 167.5 | -93.5 | 0 | 0 | 0 | 111.8 | P120 M124 E174 L177 K194 I195 E196 S201 S202 | P120-Y198 HydrophobicContact CB-CE2 3.93Å; M124-Y198 HydrophobicContact CB-CD2 3.89Å; M124-Y198 HydrophobicContact CB-CG 4.19Å; M124-Y198 HydrophobicContact CE-CD1 4.25Å; M124-Y198 HydrophobicContact CE-CG 4.46Å; M124-Y198 HydrophobicContact CG-CD2 4.15Å; M124-Y198 HydrophobicContact CG-CG 3.92Å; E174-Y198 WeakPolarHBondContact CG-OH 3.31Å; E174-Y198 PolarHBondContact OE1-OH 3.49Å; L177-Y198 HydrophobicContact CD1-CD1 3.79Å; L177-Y198 HydrophobicContact CD1-CE1 3.83Å; K194-Y198 WeakPolarHBondContact O-CB 3.41Å; K194-Y198 PolarHBondContact O-N 2.89Å; I195-Y198 WeakPolarHBondContact O-CB 3.44Å; I195-Y198 PolarHBondContact O-N 3.43Å; E196-Y198 VanDerWaalsContact C-N 3.32Å; E196-Y198 PolarHBondContact O-N 3.24Å; Y198-S201 PolarHBondContact O-N 2.96Å; Y198-S202 WeakPolarHBondContact O-CB 3.41Å; Y198-S202 PolarHBondContact O-N 2.74Å; Y198-S202 PolarHBondContact O-OG 3.28Å |
| 199 | E | 81.2 | Confident | 71.9 | Confident | 56 Ų | 56 | 75.5 Ų | 75.5 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 178.8 | -73.1 | -177 | 157.8 | 0 | 0 | 112.8 | L177 K181 I195 E196 S202 T203 | L177-E199 HydrophobicContact CD1-CG 4.15Å; K181-E199 VanDerWaalsContact CE-CD 3.47Å; K181-E199 WeakPolarHBondContact CE-OE1 3.47Å; K181-E199 WeakPolarHBondContact CE-OE2 3.29Å; K181-E199 IonicContact NZ-OE1 2.8Å; K181-E199 PolarHBondContact NZ-OE1 3.46Å; K181-E199 IonicContact NZ-OE2 2.66Å; K181-E199 PolarHBondContact NZ-OE2 2.95Å; I195-E199 WeakPolarHBondContact O-CG 3.09Å; I195-E199 PolarHBondContact O-N 2.95Å; E196-E199 PolarHBondContact O-N 3.12Å; E199-S202 PolarHBondContact O-N 3.18Å; E199-S202 PolarHBondContact O-OG 2.97Å; E199-S202 VanDerWaalsContact O-OG 3.11Å; E199-T203 VanDerWaalsContact O-CB 3.3Å; E199-T203 WeakPolarHBondContact O-CB 3.31Å; E199-T203 PolarHBondContact O-N 2.98Å; E199-T203 PolarHBondContact O-OG1 2.84Å |
| 200 | R | 79.8 | Confident | 70.1 | Confident | 121 Ų | 121 | 77 Ų | 77 | 46% | 0.457 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 171.9 | -160.5 | -178.4 | -50.7 | 110.8 | 12.4 | 110.5 | E196 D197 S202 T203 E204 | E196-R200 WeakPolarHBondContact O-CB 3.33Å; E196-R200 PolarHBondContact O-N 2.74Å; D197-R200 IonicContact OD1-CZ 3.46Å; D197-R200 IonicContact OD1-NH1 2.68Å; D197-R200 PolarHBondContact OD1-NH1 2.94Å; D197-R200 IonicContact OD1-NH2 3.38Å; D197-R200 PolarHBondContact OD1-NH2 2.87Å; R200-S202 VanDerWaalsContact C-N 3.34Å; R200-S202 PolarHBondContact O-N 3.06Å; R200-T203 PolarHBondContact O-N 2.79Å; R200-E204 WeakPolarHBondContact O-CB 3.44Å; R200-E204 WeakPolarHBondContact O-CG 3.34Å; R200-E204 PolarHBondContact O-N 2.74Å |
| 201 | S | 75.2 | Confident | 68.1 | Low | 43 Ų | 43 | 76.4 Ų | 76.4 | 30% | 0.301 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | D197 Y198 R205 | D197-S201 VanDerWaalsContact O-CB 3.26Å; D197-S201 WeakPolarHBondContact O-CB 3.23Å; D197-S201 PolarHBondContact O-N 3.13Å; D197-S201 PolarHBondContact O-OG 3.24Å; Y198-S201 PolarHBondContact O-N 2.96Å; S201-R205 VanDerWaalsContact O-CG 3.27Å; S201-R205 WeakPolarHBondContact O-CG 3.44Å; S201-R205 PolarHBondContact O-N 2.85Å; S201-R205 PolarHBondContact O-NE 3.18Å |
| 202 | S | 68.1 | Low | 65.8 | Low | 31 Ų | 31 | 87.7 Ų | 87.7 | 22% | 0.217 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -78.1 | -33.1 | 177.8 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | Y198 E199 R200 R206 | Y198-S202 WeakPolarHBondContact O-CB 3.41Å; Y198-S202 PolarHBondContact O-N 2.74Å; Y198-S202 PolarHBondContact O-OG 3.28Å; E199-S202 PolarHBondContact O-N 3.18Å; E199-S202 PolarHBondContact O-OG 2.97Å; E199-S202 VanDerWaalsContact O-OG 3.11Å; R200-S202 VanDerWaalsContact C-N 3.34Å; R200-S202 PolarHBondContact O-N 3.06Å; S202-R206 WeakPolarHBondContact O-CG 3.48Å; S202-R206 PolarHBondContact O-N 3.28Å; S202-R206 VanDerWaalsContact O-N 3.12Å |
| 203 | T | 63.8 | Low | 63.5 | Low | 71 Ų | 71 | 96 Ų | 96 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 171.8 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | E199 R200 R205 R206 M207 | E199-T203 VanDerWaalsContact O-CB 3.3Å; E199-T203 WeakPolarHBondContact O-CB 3.31Å; E199-T203 PolarHBondContact O-N 2.98Å; E199-T203 PolarHBondContact O-OG1 2.84Å; R200-T203 PolarHBondContact O-N 2.79Å; T203-R205 VanDerWaalsContact C-N 3.33Å; T203-R205 PolarHBondContact O-N 3.43Å; T203-R206 WeakPolarHBondContact O-CB 3.49Å; T203-R206 PolarHBondContact O-N 3.45Å; T203-M207 HydrophobicContact CG2-SD 4.34Å; T203-M207 WeakPolarHBondContact O-CG 3.18Å; T203-M207 PolarHBondContact O-N 3.34Å |
| 204 | E | 61.8 | Low | 61.2 | Low | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 175.9 | -73.9 | 169.9 | -175.5 | 0 | 0 | 111.9 | R200 M207 S208 | R200-E204 WeakPolarHBondContact O-CB 3.44Å; R200-E204 WeakPolarHBondContact O-CG 3.34Å; R200-E204 PolarHBondContact O-N 2.74Å; E204-M207 PolarHBondContact O-N 3.11Å; E204-S208 WeakPolarHBondContact O-CB 3.35Å; E204-S208 PolarHBondContact O-N 3.4Å; E204-S208 PolarHBondContact O-OG 3.28Å |
| 205 | R | 60.1 | Low | 58.6 | Low | 99 Ų | 99 | 109.5 Ų | 109.5 | 37% | 0.374 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.6 | -75.8 | 175.7 | -132.2 | -163.4 | -0.6 | 112.7 | P120 S201 T203 S208 L209 | P120-R205 VanDerWaalsContact CG-NH1 3.28Å; S201-R205 VanDerWaalsContact O-CG 3.27Å; S201-R205 WeakPolarHBondContact O-CG 3.44Å; S201-R205 PolarHBondContact O-N 2.85Å; S201-R205 PolarHBondContact O-NE 3.18Å; T203-R205 VanDerWaalsContact C-N 3.33Å; T203-R205 PolarHBondContact O-N 3.43Å; R205-S208 PolarHBondContact O-N 3.33Å; R205-L209 PolarHBondContact O-N 3.37Å |
| 206 | R | 54.6 | Low | 55.9 | Low | 180 Ų | 180 | 114.2 Ų | 114.2 | 68% | 0.679 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.5 | -46 | 174.2 | -77.6 | 173 | 163.2 | 176.7 | -3.5 | 111.7 | S202 T203 S208 L209 | S202-R206 WeakPolarHBondContact O-CG 3.48Å; S202-R206 PolarHBondContact O-N 3.28Å; S202-R206 VanDerWaalsContact O-N 3.12Å; T203-R206 WeakPolarHBondContact O-CB 3.49Å; T203-R206 PolarHBondContact O-N 3.45Å; R206-S208 PolarHBondContact O-N 3.48Å; R206-L209 PolarHBondContact O-N 2.9Å |
| 207 | M | 46.7 | Very low | 53.5 | Low | 127 Ų | 127 | 116.5 Ų | 116.5 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.6 | -34.5 | 176.4 | -65.1 | 178.1 | 70.7 | 0 | 0 | 112.9 | T203 E204 L209 E210 G211 | T203-M207 HydrophobicContact CG2-SD 4.34Å; T203-M207 WeakPolarHBondContact O-CG 3.18Å; T203-M207 PolarHBondContact O-N 3.34Å; E204-M207 PolarHBondContact O-N 3.11Å; M207-L209 VanDerWaalsContact C-N 3.27Å; M207-L209 PolarHBondContact O-N 2.97Å; M207-E210 PolarHBondContact O-N 3.02Å; M207-G211 PolarHBondContact O-N 2.84Å |
| 208 | S | 52.1 | Low | 51.1 | Low | 93 Ų | 93 | 117.7 Ų | 117.7 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.5 | -28.4 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | E204 R205 R206 | E204-S208 WeakPolarHBondContact O-CB 3.35Å; E204-S208 PolarHBondContact O-N 3.4Å; E204-S208 PolarHBondContact O-OG 3.28Å; R205-S208 PolarHBondContact O-N 3.33Å; R206-S208 PolarHBondContact O-N 3.48Å |
| 209 | L | 45.5 | Very low | 48.4 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 80% | 0.796 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -78.8 | -19.2 | 176.9 | -70.6 | 165.8 | 0 | 0 | 0 | 113.1 | R205 R206 M207 | R205-L209 PolarHBondContact O-N 3.37Å; R206-L209 PolarHBondContact O-N 2.9Å; M207-L209 VanDerWaalsContact C-N 3.27Å; M207-L209 PolarHBondContact O-N 2.97Å |
| 210 | E | 42 | Very low | 45.9 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -93 | -9.2 | 177.3 | -64.2 | -177.7 | 152 | 0 | 0 | 112.5 | M207 R212 | M207-E210 PolarHBondContact O-N 3.02Å; E210-R212 PolarHBondContact O-N 3.03Å; E210-R212 VanDerWaalsContact O-N 3.1Å |
| 211 | G | 35.4 | Very low | 43.6 | Very low | 57 Ų | 57 | 130.9 Ų | 130.9 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | trans | -84.2 | 59.8 | -173 | 0 | 0 | 0 | 0 | 0 | 116.6 | M207 | M207-G211 PolarHBondContact O-N 2.84Š| ||
| 212 | R | 34.9 | Very low | 41.5 | Very low | 238 Ų | 238 | 137.4 Ų | 137.4 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | -140.8 | 61.8 | 165.1 | -79.8 | -161 | -179.2 | -172.2 | 4.3 | 114.2 | E210 | E210-R212 PolarHBondContact O-N 3.03Å; E210-R212 VanDerWaalsContact O-N 3.1Å | ||
| 213 | E | 33.6 | Very low | 39.5 | Very low | 202 Ų | 202 | 145 Ų | 145 | 94% | 0.944 | 75% | 0.75 | S | S | * | * | trans | -166.6 | 99.2 | 147.9 | -112.6 | 170.2 | -151.1 | 0 | 0 | 110 | ||||
| 214 | E | 31.1 | Very low | 37.6 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | trans | -106.8 | 135.9 | 168.7 | -81.1 | -164.2 | 157.4 | 0 | 0 | 111 | ||||
| 215 | L | 28.1 | Very low | 36.1 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -136.2 | 152.4 | 155.9 | -83.2 | 172.5 | 0 | 0 | 0 | 108.7 | ||||
| 216 | P | 29.8 | Very low | 34.5 | Very low | 100 Ų | 100 | 153.3 Ų | 153.3 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | trans | -97 | 160.2 | -142.9 | 2.3 | 16.7 | 0 | 0 | 0 | 115.3 | S218 | P216-S218 PolarHBondContact O-N 3.32Š| ||
| 217 | P | 33.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -81.5 | 103.8 | -178.1 | 32.2 | -33.8 | 0 | 0 | 0 | 112.3 | ||||
| 218 | S | 31.5 | Very low | 32.2 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -156.7 | 44.1 | 172.8 | 59.2 | 0 | 0 | 0 | 0 | 117 | P216 | P216-S218 PolarHBondContact O-N 3.32Š| ||
| 219 | V | 27.7 | Very low | 31 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -152.1 | 85.7 | 151.2 | -112.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 220 | L | 29.7 | Very low | 30.1 | Very low | 186 Ų | 186 | 156 Ų | 156 | 97% | 0.974 | 83% | 0.827 | S | S | * | * | trans | -121.5 | 65.6 | 159.9 | -90.7 | 172.7 | 0 | 0 | 0 | 108.4 | ||||
| 221 | D | 31.8 | Very low | 29.2 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 78% | 0.781 | 83% | 0.831 | S | S | * | * | trans | -149.2 | 158.1 | 151.6 | -150.1 | -7 | 0 | 0 | 0 | 108.7 | ||||
| 222 | E | 30.2 | Very low | 28.7 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 84% | 0.836 | 84% | 0.843 | S | S | * | * | trans | 62.6 | 71.5 | -178.8 | -57.7 | -160.7 | 127.9 | 0 | 0 | 118.6 | ||||
| 223 | M | 25 | Very low | 28.4 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 94% | 0.941 | 83% | 0.83 | S | S | * | * | -157.2 | 85.7 | 119.4 | -121.4 | -177.5 | 177.5 | 0 | 0 | 114.8 | |||||
| 224 | S | 25.8 | Very low | 28.9 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | 11.3 | 121 | 145.1 | -53.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 225 | L | 30.1 | Very low | 28.8 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | 41.3 | 78.1 | 77.9 | -73.5 | 168.6 | 0 | 0 | 0 | 114.4 | |||||
| 226 | K | 25.9 | Very low | 28.9 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 175 | 132.4 | 158.1 | -99.9 | 158.1 | -172.7 | 177.1 | 0 | 106.7 | ||||
| 227 | M | 25.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 84% | 0.837 | 82% | 0.818 | S | S | * | * | cis | -142.1 | 145.7 | 2.3 | -79.4 | -83.1 | -160.5 | 0 | 0 | 107.8 | ||||
| 228 | A | 27 | Very low | 29.3 | Very low | 94 Ų | 94 | 153.2 Ų | 153.2 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -113.3 | 117.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 229 | E | 26.9 | Very low | 29.8 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | 172 | 157.1 | 147.7 | -100.2 | 175 | -166.8 | 0 | 0 | 111.8 | ||||
| 230 | L | 26.5 | Very low | 30.2 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | 72.3 | 106.8 | 177.3 | -49.1 | 169.2 | 0 | 0 | 0 | 114.4 | ||||
| 231 | C | 24.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | cis | -157 | 147.7 | 49.8 | -79.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 232 | D | 25.1 | Very low | 31.1 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -93.9 | 164.1 | 155.9 | -160 | 26.4 | 0 | 0 | 0 | 107.5 | ||||
| 233 | S | 28 | Very low | 31.6 | Very low | 89 Ų | 89 | 148 Ų | 148 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | cis | -165.1 | -174.4 | 18.7 | 69.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 234 | P | 42.8 | Very low | 33.1 | Very low | 95 Ų | 95 | 144 Ų | 144 | 62% | 0.617 | 78% | 0.778 | S | S | * | * | cis | -133.1 | -172.2 | -43.1 | 31 | -10.4 | 0 | 0 | 0 | 112.3 | ||||
| 235 | R | 29.2 | Very low | 35.4 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | 77.3 | 141.6 | 168.5 | -53.6 | 178.2 | -174 | 178.7 | 1 | 115.5 | ||||
| 236 | E | 31.8 | Very low | 38.3 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | cis | -133.6 | 147.4 | 4.7 | -125.4 | 144.6 | -132.8 | 0 | 0 | 109.5 | D238 | E236-D238 PolarHBondContact O-N 3.29Š| ||
| 237 | Q | 38 | Very low | 41.7 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | trans | -72.9 | 122.9 | 168.4 | -74 | 176.6 | -51.2 | 0 | 0 | 108.1 | ||||
| 238 | D | 31.8 | Very low | 45.1 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | trans | -132 | 116 | 149.6 | -141.1 | -8.7 | 0 | 0 | 0 | 109.6 | E236 E240 | E236-D238 PolarHBondContact O-N 3.29Å; D238-E240 PolarHBondContact O-N 3.09Å | ||
| 239 | S | 42.8 | Very low | 48.3 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | trans | -93 | 87 | -172.3 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 240 | E | 35 | Very low | 51.6 | Low | 114 Ų | 114 | 123.4 Ų | 123.4 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | trans | -121.3 | 90.6 | 162.3 | -74.3 | -157.4 | 150 | 0 | 0 | 110.5 | D238 R242 | D238-E240 PolarHBondContact O-N 3.09Å; E240-R242 HydrophobicContact CB-CG 4.3Å; E240-R242 PolarHBondContact O-N 2.76Å; E240-R242 IonicContact OE1-CZ 3.9Å; E240-R242 IonicContact OE1-NE 2.95Å; E240-R242 PolarHBondContact OE1-NE 3.08Å; E240-R242 IonicContact OE1-NH1 3.42Å; E240-R242 PolarHBondContact OE1-NH1 2.86Å; E240-R242 IonicContact OE1-NH2 3.86Å; E240-R242 PolarHBondContact OE1-NH2 2.95Å; E240-R242 WeakPolarHBondContact OE2-CD 3.15Å; E240-R242 IonicContact OE2-CZ 2.79Å; E240-R242 IonicContact OE2-NE 3.52Å; E240-R242 PolarHBondContact OE2-NE 2.93Å; E240-R242 IonicContact OE2-NH1 3.43Å; E240-R242 PolarHBondContact OE2-NH1 3.35Å; E240-R242 IonicContact OE2-NH2 2.67Å | ||
| 241 | S | 39 | Very low | 54.9 | Low | 126 Ų | 126 | 123.5 Ų | 123.5 | 88% | 0.881 | 65% | 0.65 | S | S | * | * | trans | -73.4 | 54 | 159.9 | 66 | 0 | 0 | 0 | 0 | 110.5 | T243 | S241-T243 PolarHBondContact O-N 3.18Š| ||
| 242 | R | 41.8 | Very low | 58.2 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 67% | 0.672 | 62% | 0.621 | S | S | * | * | trans | -69.9 | 112.2 | 161.7 | -75.3 | -177.6 | 176.9 | 149.6 | 4.5 | 106.4 | E240 S244 | E240-R242 HydrophobicContact CB-CG 4.3Å; E240-R242 PolarHBondContact O-N 2.76Å; E240-R242 IonicContact OE1-CZ 3.9Å; E240-R242 IonicContact OE1-NE 2.95Å; E240-R242 PolarHBondContact OE1-NE 3.08Å; E240-R242 IonicContact OE1-NH1 3.42Å; E240-R242 PolarHBondContact OE1-NH1 2.86Å; E240-R242 IonicContact OE1-NH2 3.86Å; E240-R242 PolarHBondContact OE1-NH2 2.95Å; E240-R242 WeakPolarHBondContact OE2-CD 3.15Å; E240-R242 IonicContact OE2-CZ 2.79Å; E240-R242 IonicContact OE2-NE 3.52Å; E240-R242 PolarHBondContact OE2-NE 2.93Å; E240-R242 IonicContact OE2-NH1 3.43Å; E240-R242 PolarHBondContact OE2-NH1 3.35Å; E240-R242 IonicContact OE2-NH2 2.67Å; R242-S244 PolarHBondContact O-N 3.3Å | ||
| 243 | T | 40.9 | Very low | 61.5 | Low | 117 Ų | 117 | 118.7 Ų | 118.7 | 72% | 0.718 | 61% | 0.609 | S | S | * | * | trans | -61.7 | 89.6 | 160.9 | 48.1 | 0 | 0 | 0 | 0 | 107.4 | S241 D245 | S241-T243 PolarHBondContact O-N 3.18Å; T243-D245 PolarHBondContact O-N 3.49Å; T243-D245 VanDerWaalsContact O-N 3.16Å | ||
| 244 | S | 57.1 | Low | 64.7 | Low | 105 Ų | 105 | 116.9 Ų | 116.9 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 121.2 | 179 | 58.2 | 0 | 0 | 0 | 0 | 108.3 | R242 K246 | R242-S244 PolarHBondContact O-N 3.3Å; S244-K246 PolarHBondContact O-N 3.02Å |
| 245 | D | 74.1 | Confident | 67.3 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 128.5 | 177.8 | -76.4 | -55.4 | 0 | 0 | 0 | 109.1 | T243 V247 K495 | T243-D245 PolarHBondContact O-N 3.49Å; T243-D245 VanDerWaalsContact O-N 3.16Å; D245-V247 WeakPolarHBondContact O-CG2 3.43Å; D245-V247 PolarHBondContact O-N 3.28Å; D245-K495 HydrophobicContact CB-CD 3.88Å; D245-K495 HydrophobicContact CB-CG 4.37Å; D245-K495 VanDerWaalsContact CG-CE 3.45Å; D245-K495 VanDerWaalsContact CG-NZ 3.32Å; D245-K495 IonicContact OD1-NZ 2.91Å; D245-K495 VanDerWaalsContact OD2-CE 3.31Å; D245-K495 WeakPolarHBondContact OD2-CE 3.46Å; D245-K495 IonicContact OD2-NZ 2.73Å; D245-K495 PolarHBondContact OD2-NZ 2.8Å |
| 246 | K | 91 | Very high | 70.6 | Confident | 164 Ų | 164 | 102.5 Ų | 102.5 | 71% | 0.713 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 122 | 176 | -66.2 | 177.6 | -178.3 | 170.7 | 0 | 107.6 | S244 K494 K495 | S244-K246 PolarHBondContact O-N 3.02Å; K246-K494 HydrophobicContact CB-CB 4.49Å; K246-K494 HydrophobicContact CB-CD 4.34Å; K246-K494 HydrophobicContact CB-CG 3.92Å; K246-K494 CarbonylContact O-C 3.52Å; K246-K494 WeakPolarHBondContact O-CA 3.48Å; K246-K494 WeakPolarHBondContact O-CB 3.37Å; K246-K495 PolarHBondContact O-N 3.38Å |
| 247 | V | 96.2 | Very high | 73.8 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -111.1 | 143.5 | -178.2 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | D245 K494 K495 F497 | D245-V247 WeakPolarHBondContact O-CG2 3.43Å; D245-V247 PolarHBondContact O-N 3.28Å; V247-K494 WeakPolarHBondContact O-CD 3.38Å; V247-K495 WeakPolarHBondContact CA-O 3.49Å; V247-F497 HydrophobicContact CG1-CD2 3.59Å; V247-F497 HydrophobicContact CG1-CE2 3.93Å; V247-F497 HydrophobicContact CG2-CD2 4.39Å; V247-F497 HydrophobicContact CG2-CE2 3.88Å |
| 248 | Y | 96.6 | Very high | 76.7 | Confident | 9 Ų | 9 | 87.3 Ų | 87.3 | 4% | 0.035 | 46% | 0.456 | C | S | . | . | trans | -68.3 | 142.3 | 169.3 | -71.7 | -72.9 | 0 | 0 | 0 | 111.5 | M250 P374 D420 L492 R493 K494 K495 L496 | Y248-M250 PolarHBondContact O-N 3.31Å; Y248-P374 HydrophobicContact CD1-CG 4.4Å; Y248-P374 HydrophobicContact CD2-CB 4.44Å; Y248-P374 HydrophobicContact CD2-CG 4.48Å; Y248-P374 HydrophobicContact CE2-CB 4.46Å; Y248-P374 HydrophobicContact CG-CG 4.2Å; Y248-D420 HydrophobicContact CE1-CB 4.18Å; Y248-D420 WeakPolarHBondContact OH-CB 3.35Å; Y248-D420 VanDerWaalsContact OH-CG 3.31Å; Y248-D420 PolarHBondContact OH-OD1 2.96Å; Y248-L492 HydrophobicContact CE2-CB 4.22Å; Y248-L492 HydrophobicContact CE2-CD2 3.84Å; Y248-L492 HydrophobicContact CE2-CG 4.46Å; Y248-L492 WeakPolarHBondContact OH-CA 3.47Å; Y248-R493 PolarHBondContact OH-N 3.35Å; Y248-K494 HydrophobicContact CD1-CB 4.16Å; Y248-K494 HydrophobicContact CD1-CD 3.95Å; Y248-K494 HydrophobicContact CD1-CG 4.43Å; Y248-K494 HydrophobicContact CD2-CB 3.65Å; Y248-K494 HydrophobicContact CE1-CB 4.12Å; Y248-K494 HydrophobicContact CE1-CD 4.16Å; Y248-K494 HydrophobicContact CE1-CG 4.28Å; Y248-K494 HydrophobicContact CE2-CB 3.63Å; Y248-K494 WeakPolarHBondContact CE2-O 3.3Å; Y248-K494 HydrophobicContact CG-CB 3.93Å; Y248-K494 HydrophobicContact CG-CD 4.31Å; Y248-K495 PolarHBondContact N-O 3.27Å; Y248-L496 HydrophobicContact CD2-CB 3.88Å; Y248-L496 HydrophobicContact CD2-CD1 3.99Å; Y248-L496 HydrophobicContact CD2-CG 4.42Å; Y248-L496 HydrophobicContact CE2-CB 4.37Å; Y248-L496 HydrophobicContact CG-CD1 4.39Å | ||
| 249 | Q | 95.6 | Very high | 79.9 | Confident | 115 Ų | 115 | 79.9 Ų | 79.9 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | trans | -62.3 | 136.2 | 169.4 | -177 | 174.5 | -68.5 | 0 | 0 | 109.7 | K251 D330 | Q249-K251 HydrophobicContact CG-CB 4.26Å; Q249-K251 HydrophobicContact CG-CD 4.38Å; Q249-K251 HydrophobicContact CG-CG 4.2Å; Q249-D330 PolarHBondContact NE2-OD1 2.97Å; Q249-D330 WeakPolarHBondContact O-CB 3.48Å | ||
| 250 | M | 96.4 | Very high | 82.5 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | trans | -149 | 59.8 | 179 | -158.5 | 62 | 61.8 | 0 | 0 | 109.7 | Y248 R255 D330 C331 P374 L496 F497 F498 P499 | Y248-M250 PolarHBondContact O-N 3.31Å; M250-R255 PolarHBondContact O-NE 2.64Å; M250-R255 PolarHBondContact O-NH1 2.9Å; M250-R255 PolarHBondContact O-NH2 3.5Å; M250-R255 HydrophobicContact SD-CB 4.3Å; M250-R255 HydrophobicContact SD-CG 4.45Å; M250-D330 WeakPolarHBondContact CA-OD2 3.29Å; M250-D330 HydrophobicContact SD-CB 4.13Å; M250-C331 HydrophobicContact CE-CB 3.88Å; M250-C331 HydrophobicContact SD-CB 4.01Å; M250-P374 HydrophobicContact CE-CG 4.09Å; M250-L496 HydrophobicContact CE-CD1 3.37Å; M250-F497 WeakPolarHBondContact CG-O 3.44Å; M250-F498 HydrophobicContact CE-CD1 4.11Å; M250-F498 HydrophobicContact CE-CE1 3.82Å; M250-F498 HydrophobicContact CG-CD1 4.22Å; M250-F498 HydrophobicContact SD-CD1 4.04Å; M250-F498 HydrophobicContact SD-CE1 4.17Å; M250-P499 HydrophobicContact CB-CG 4.36Å; M250-P499 HydrophobicContact CG-CG 4.48Å | ||
| 251 | K | 94.8 | Very high | 85.6 | Confident | 166 Ų | 166 | 69 Ų | 69 | 72% | 0.722 | 35% | 0.353 | S | S | * | . | trans | -117.6 | -29.2 | -169.8 | -67.4 | -175.8 | 178.6 | 179.5 | 0 | 114.1 | Q249 R255 D330 | Q249-K251 HydrophobicContact CG-CB 4.26Å; Q249-K251 HydrophobicContact CG-CD 4.38Å; Q249-K251 HydrophobicContact CG-CG 4.2Å; K251-R255 PolarHBondContact O-NH1 3.12Å; K251-D330 PolarHBondContact N-OD2 3.17Å | ||
| 252 | N | 95.1 | Very high | 88.4 | Confident | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | trans | -63.8 | 146.4 | 178.2 | -77 | -47.5 | 0 | 0 | 0 | 112.1 | P254 R255 N328 D330 | N252-P254 CarbonylContact C-O 3.49Å; N252-P254 CarbonylContact O-C 3.54Å; N252-R255 WeakPolarHBondContact O-CA 3.35Å; N252-R255 VanDerWaalsContact O-CD 3.24Å; N252-R255 WeakPolarHBondContact O-CD 3.47Å; N252-R255 PolarHBondContact O-N 3.22Å; N252-R255 PolarHBondContact O-NH1 2.99Å; N252-N328 WeakPolarHBondContact CB-O 3.48Å; N252-N328 VanDerWaalsContact CG-O 3.26Å; N252-N328 PolarHBondContact ND2-O 3Å; N252-D330 WeakPolarHBondContact CB-OD2 3.34Å; N252-D330 PolarHBondContact N-OD2 2.91Å; N252-D330 VanDerWaalsContact ND2-CG 3.32Å; N252-D330 PolarHBondContact ND2-OD1 3.44Å; N252-D330 PolarHBondContact ND2-OD2 2.79Å | ||
| 253 | K | 93.6 | Very high | 91.1 | Very high | 132 Ų | 132 | 54.6 Ų | 54.6 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -132.3 | 114.3 | 172.9 | -63.9 | -164.9 | -173.8 | -163.3 | 0 | 108.2 | H300 | K253-H300 WeakPolarHBondContact CE-CD2 3.35Å; K253-H300 PolarHBondContact NZ-CD2 3.37Å; K253-H300 PolarHBondContact NZ-NE2 3.1Å |
| 254 | P | 95.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 33% | 0.331 | 26% | 0.256 | S | S | . | . | S | Bend | cis | -65 | 146.9 | -0.4 | 29 | -36 | 0 | 0 | 0 | 113.1 | N252 G256 H300 E302 K329 | N252-P254 CarbonylContact C-O 3.49Å; N252-P254 CarbonylContact O-C 3.54Å; P254-G256 VanDerWaalsContact C-N 3.27Å; P254-G256 PolarHBondContact O-N 3.22Å; P254-H300 CarbonylContact C-O 3.56Å; P254-H300 WeakPolarHBondContact CA-O 3.31Å; P254-E302 HydrophobicContact CB-CB 3.9Å; P254-E302 HydrophobicContact CG-CB 4.29Å; P254-K329 HydrophobicContact CG-CD 4.22Å |
| 255 | R | 97.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -63.3 | -34.6 | 179.7 | -65.7 | -79 | -170.9 | -118.1 | 9 | 112.5 | M250 K251 N252 L299 H300 F301 D330 C331 P499 | M250-R255 PolarHBondContact O-NE 2.64Å; M250-R255 PolarHBondContact O-NH1 2.9Å; M250-R255 PolarHBondContact O-NH2 3.5Å; M250-R255 HydrophobicContact SD-CB 4.3Å; M250-R255 HydrophobicContact SD-CG 4.45Å; K251-R255 PolarHBondContact O-NH1 3.12Å; N252-R255 WeakPolarHBondContact O-CA 3.35Å; N252-R255 VanDerWaalsContact O-CD 3.24Å; N252-R255 WeakPolarHBondContact O-CD 3.47Å; N252-R255 PolarHBondContact O-N 3.22Å; N252-R255 PolarHBondContact O-NH1 2.99Å; R255-L299 WeakPolarHBondContact CG-O 3.43Å; R255-H300 HydrophobicContact CG-CB 3.88Å; R255-H300 PolarHBondContact N-O 2.86Å; R255-F301 HydrophobicContact CB-CD1 4.19Å; R255-F301 HydrophobicContact CB-CD2 4.15Å; R255-F301 HydrophobicContact CB-CE1 3.97Å; R255-F301 HydrophobicContact CB-CE2 3.92Å; R255-F301 HydrophobicContact CB-CG 4.27Å; R255-F301 HydrophobicContact CB-CZ 3.82Å; R255-F301 HydrophobicContact CG-CE2 4.32Å; R255-D330 PolarHBondContact O-N 3.46Å; R255-C331 PolarHBondContact O-N 2.89Å; R255-C331 VanDerWaalsContact O-N 3.08Å; R255-P499 PolarHBondContact NH2-O 3.04Å | ||
| 256 | G | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 173.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P254 E302 C331 | P254-G256 VanDerWaalsContact C-N 3.27Å; P254-G256 PolarHBondContact O-N 3.22Å; G256-E302 WeakPolarHBondContact O-CB 3.46Å; G256-E302 PolarHBondContact O-N 3.12Å; G256-C331 WeakPolarHBondContact CA-O 3.5Å |
| 257 | Y | 98.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 18% | 0.18 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 141.6 | 156.4 | -67.9 | -76.6 | 0 | 0 | 0 | 109 | E302 V304 Y321 H326 K329 I333 | Y257-E302 HydrophobicContact CD1-CB 4.25Å; Y257-E302 HydrophobicContact CD1-CG 4.18Å; Y257-E302 HydrophobicContact CE1-CG 4.17Å; Y257-E302 VanDerWaalsContact CE1-OE1 3.3Å; Y257-E302 WeakPolarHBondContact CE1-OE1 3.46Å; Y257-E302 WeakPolarHBondContact CE1-OE2 3.2Å; Y257-V304 HydrophobicContact CD1-CG2 4.22Å; Y257-Y321 AromaticContact CD1-CE1 3.71Å; Y257-Y321 HydrophobicContact CD1-CE1 3.71Å; Y257-Y321 HydrophobicContact CD2-CD1 4.14Å; Y257-Y321 HydrophobicContact CD2-CE1 4.08Å; Y257-Y321 AromaticContact CE1-CE1 3.9Å; Y257-Y321 HydrophobicContact CE1-CE1 3.9Å; Y257-Y321 HydrophobicContact CE2-CD1 4.46Å; Y257-Y321 HydrophobicContact CE2-CE1 4.26Å; Y257-Y321 HydrophobicContact CG-CD1 4.16Å; Y257-Y321 AromaticContact CG-CE1 3.8Å; Y257-Y321 HydrophobicContact CG-CE1 3.8Å; Y257-H326 AromaticContact CD2-CE1 3.66Å; Y257-H326 AromaticContact CD2-ND1 3.7Å; Y257-K329 VanDerWaalsContact CE2-NZ 3.26Å; Y257-K329 VanDerWaalsContact CZ-NZ 3.29Å; Y257-I333 PolarHBondContact O-N 2.94Å |
| 258 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 98.9 | 164.8 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | F296 F301 E302 I303 V304 I333 | C258-F296 HydrophobicContact CB-CB 4.2Å; C258-F301 HydrophobicContact CB-CB 3.8Å; C258-F301 HydrophobicContact CB-CD1 4.31Å; C258-F301 HydrophobicContact CB-CG 4.29Å; C258-E302 PolarHBondContact N-O 3.47Å; C258-I303 HydrophobicContact CB-CD1 3.72Å; C258-V304 PolarHBondContact O-N 3.41Å; C258-I333 CarbonylContact C-O 3.59Å; C258-I333 WeakPolarHBondContact CA-O 3.48Å; C258-I333 HydrophobicContact CB-CB 4.2Å |
| 259 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.3 | 176.4 | -49.8 | -172.2 | 0 | 0 | 0 | 109.1 | V304 I317 L318 Y321 F332 I333 C334 C335 | L259-V304 CarbonylContact C-O 3.59Å; L259-V304 VanDerWaalsContact CA-O 3.3Å; L259-V304 WeakPolarHBondContact CA-O 3.5Å; L259-V304 HydrophobicContact CD2-CB 4.08Å; L259-I317 HydrophobicContact CD1-CG2 4.4Å; L259-L318 HydrophobicContact CD1-CD2 3.9Å; L259-Y321 HydrophobicContact CD1-CD2 3.45Å; L259-Y321 VanDerWaalsContact CD1-CD2 3.45Å; L259-Y321 HydrophobicContact CD1-CE2 4.01Å; L259-Y321 HydrophobicContact CD1-CG 3.79Å; L259-Y321 HydrophobicContact CD2-CD1 4.12Å; L259-Y321 HydrophobicContact CD2-CD2 3.7Å; L259-Y321 HydrophobicContact CD2-CE1 3.87Å; L259-Y321 HydrophobicContact CD2-CE2 3.42Å; L259-Y321 VanDerWaalsContact CD2-CE2 3.42Å; L259-Y321 HydrophobicContact CD2-CG 4.06Å; L259-Y321 HydrophobicContact CG-CD2 4.23Å; L259-Y321 HydrophobicContact CG-CE2 4.38Å; L259-Y321 HydrophobicContact CG-CG 4.5Å; L259-F332 HydrophobicContact CD1-CE2 3.86Å; L259-F332 HydrophobicContact CD1-CZ 3.65Å; L259-F332 HydrophobicContact CG-CE2 3.95Å; L259-F332 HydrophobicContact CG-CZ 4.03Å; L259-I333 PolarHBondContact N-O 2.9Å; L259-C334 HydrophobicContact CB-CB 4.46Å; L259-C335 PolarHBondContact O-N 2.86Å |
| 260 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 105.2 | 174.8 | -55.2 | 173.5 | 0 | 0 | 0 | 108.4 | K289 L292 S293 I303 V304 S305 Y306 C335 L337 | I260-K289 HydrophobicContact CG2-CB 4.35Å; I260-K289 HydrophobicContact CG2-CG 4.17Å; I260-L292 HydrophobicContact CD1-CB 3.78Å; I260-L292 HydrophobicContact CG2-CD1 4.42Å; I260-S293 WeakPolarHBondContact CD1-OG 3.42Å; I260-I303 HydrophobicContact CD1-CG2 3.77Å; I260-V304 PolarHBondContact N-O 3.25Å; I260-S305 CarbonylContact O-C 3.47Å; I260-S305 VanDerWaalsContact O-CA 3.25Å; I260-S305 WeakPolarHBondContact O-CA 3.27Å; I260-Y306 PolarHBondContact O-N 2.96Å; I260-C335 WeakPolarHBondContact CA-O 3.31Å; I260-C335 HydrophobicContact CG1-CB 4.25Å; I260-L337 HydrophobicContact CG2-CD1 4.31Å |
| 261 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.7 | 174.9 | -58.9 | -179.2 | 0 | 0 | 0 | 107.5 | C309 I314 C335 I336 L337 | I261-C309 HydrophobicContact CG2-CB 4.24Å; I261-I314 HydrophobicContact CD1-CB 4.44Å; I261-I314 HydrophobicContact CD1-CG1 4.24Å; I261-I314 HydrophobicContact CD1-CG2 3.87Å; I261-I314 HydrophobicContact CG2-CD1 4.14Å; I261-I314 HydrophobicContact CG2-CG1 3.99Å; I261-C335 PolarHBondContact N-O 3.38Å; I261-I336 HydrophobicContact CD1-CG1 4.44Å; I261-L337 PolarHBondContact O-N 3.44Å |
| 262 | N | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 90.6 | -168.9 | 178.5 | 54.7 | 0 | 0 | 0 | 110.8 | T285 D286 K289 Y306 D307 D308 | N262-T285 WeakPolarHBondContact OD1-CB 3.3Å; N262-T285 WeakPolarHBondContact OD1-CG2 3.4Å; N262-T285 PolarHBondContact OD1-O 3.18Å; N262-T285 PolarHBondContact OD1-OG1 3.09Å; N262-D286 PolarHBondContact ND2-OD1 3.35Å; N262-K289 HydrophobicContact CB-CB 4.38Å; N262-K289 HydrophobicContact CB-CD 3.9Å; N262-K289 WeakPolarHBondContact ND2-CD 3.36Å; N262-Y306 PolarHBondContact N-O 2.95Å; N262-D307 WeakPolarHBondContact CB-OD1 3.5Å; N262-D307 PolarHBondContact ND2-OD1 3.24Å; N262-D307 WeakPolarHBondContact O-CA 3.45Å; N262-D308 PolarHBondContact O-N 3.07Å |
| 263 | N | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -91.2 | 110.2 | -179.5 | -70.5 | 4.2 | 0 | 0 | 0 | 109.9 | F266 R282 C309 L337 Y346 T348 | N263-F266 HydrophobicContact CB-CE2 4.03Å; N263-F266 HydrophobicContact CB-CZ 3.63Å; N263-R282 WeakPolarHBondContact O-CB 3.45Å; N263-R282 VanDerWaalsContact O-CD 3.31Å; N263-R282 WeakPolarHBondContact O-CD 3.45Å; N263-R282 PolarHBondContact O-NH1 2.79Å; N263-C309 PolarHBondContact ND2-O 3.28Å; N263-C309 PolarHBondContact OD1-N 2.93Å; N263-L337 PolarHBondContact N-O 3.3Å; N263-Y346 PolarHBondContact ND2-O 3.18Å; N263-T348 HydrophobicContact CB-CG2 3.94Å | ||
| 264 | H | 97.2 | Very high | 95.2 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 23% | 0.227 | 20% | 0.198 | C | C | . | . | trans | -98.8 | -57.3 | 176.3 | 172.2 | -88.6 | 0 | 0 | 0 | 112.1 | F266 D281 R282 T285 D308 | H264-F266 WeakPolarHBondContact O-CD2 3.49Å; H264-D281 CarbonylContact O-C 3.52Å; H264-D281 VanDerWaalsContact O-CA 3.24Å; H264-D281 WeakPolarHBondContact O-CA 3.41Å; H264-D281 WeakPolarHBondContact O-CB 3.47Å; H264-R282 PolarHBondContact O-N 3.04Å; H264-T285 HydrophobicContact CB-CG2 3.82Å; H264-D308 WeakPolarHBondContact CA-OD1 3.22Å; H264-D308 PolarHBondContact N-OD1 3.31Å | ||
| 265 | D | 97.1 | Very high | 94.6 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | trans | -90.4 | 129.2 | -173 | -175.1 | 22.2 | 0 | 0 | 0 | 112.5 | S267 R270 D308 T348 | D265-S267 VanDerWaalsContact CG-OG 3.23Å; D265-S267 VanDerWaalsContact OD1-CB 3.29Å; D265-S267 WeakPolarHBondContact OD1-CB 3.48Å; D265-S267 PolarHBondContact OD1-N 3.13Å; D265-S267 PolarHBondContact OD1-OG 2.96Å; D265-S267 WeakPolarHBondContact OD2-CB 3.32Å; D265-S267 PolarHBondContact OD2-OG 3.38Å; D265-R270 IonicContact OD1-NH2 3.55Å; D265-R270 PolarHBondContact OD1-NH2 3.42Å; D265-D308 PolarHBondContact N-OD1 3.19Å; D265-T348 VanDerWaalsContact O-CB 3.3Å; D265-T348 WeakPolarHBondContact O-CB 3.26Å; D265-T348 WeakPolarHBondContact O-CG2 3.43Å | ||
| 266 | F | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -120.8 | 31 | 176.3 | -68.2 | -96.9 | 0 | 0 | 0 | 111 | N263 H264 A269 R270 M279 D281 R282 S338 H339 G347 | N263-F266 HydrophobicContact CB-CE2 4.03Å; N263-F266 HydrophobicContact CB-CZ 3.63Å; H264-F266 WeakPolarHBondContact O-CD2 3.49Å; F266-A269 HydrophobicContact CB-CB 4.13Å; F266-A269 HydrophobicContact CD1-CB 4.32Å; F266-A269 PolarHBondContact O-N 2.83Å; F266-R270 WeakPolarHBondContact O-CG 3.4Å; F266-R270 PolarHBondContact O-N 2.67Å; F266-R270 VanDerWaalsContact O-N 3.07Å; F266-M279 HydrophobicContact CB-CG 4.06Å; F266-M279 HydrophobicContact CB-SD 3.88Å; F266-M279 HydrophobicContact CD1-CG 4.42Å; F266-M279 HydrophobicContact CD1-SD 3.35Å; F266-M279 WeakPolarHBondContact CD1-SD 3.23Å; F266-M279 HydrophobicContact CE1-SD 4.06Å; F266-M279 HydrophobicContact CG-CG 4.21Å; F266-M279 HydrophobicContact CG-SD 3.72Å; F266-D281 PolarHBondContact N-OD1 3.48Å; F266-D281 VanDerWaalsContact N-OD1 3.15Å; F266-R282 HydrophobicContact CD2-CG 4.4Å; F266-R282 HydrophobicContact CE2-CG 3.78Å; F266-S338 WeakPolarHBondContact CZ-OG 3.46Å; F266-H339 AromaticContact CD1-CD2 3.99Å; F266-H339 AromaticContact CD2-CD2 3.68Å; F266-H339 AromaticContact CD2-NE2 3.97Å; F266-H339 HydrophobicContact CE1-CB 4.5Å; F266-H339 AromaticContact CE1-CD2 3.81Å; F266-H339 AromaticContact CE2-CD2 3.53Å; F266-H339 AromaticContact CG-CD2 3.92Å; F266-H339 HydrophobicContact CZ-CB 4.48Å; F266-H339 AromaticContact CZ-CD2 3.58Å; F266-G347 WeakPolarHBondContact CE1-O 3.44Å | ||
| 267 | S | 94.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -51.7 | -56.7 | 173.2 | 52.3 | 0 | 0 | 0 | 0 | 112 | D265 A269 R270 E271 | D265-S267 VanDerWaalsContact CG-OG 3.23Å; D265-S267 VanDerWaalsContact OD1-CB 3.29Å; D265-S267 WeakPolarHBondContact OD1-CB 3.48Å; D265-S267 PolarHBondContact OD1-N 3.13Å; D265-S267 PolarHBondContact OD1-OG 2.96Å; D265-S267 WeakPolarHBondContact OD2-CB 3.32Å; D265-S267 PolarHBondContact OD2-OG 3.38Å; S267-A269 PolarHBondContact O-N 3.02Å; S267-R270 VanDerWaalsContact CA-NH2 3.34Å; S267-R270 WeakPolarHBondContact O-CB 3.17Å; S267-R270 PolarHBondContact O-N 3.31Å; S267-E271 WeakPolarHBondContact O-CG 3.35Å; S267-E271 PolarHBondContact O-N 3.09Å |
| 268 | K | 93.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.5 | -50.7 | 176.5 | -62.4 | 176.5 | -177.1 | 170.7 | 0 | 111.8 | R270 E271 D272 | K268-R270 VanDerWaalsContact C-N 3.27Å; K268-R270 PolarHBondContact O-N 3.13Å; K268-E271 PolarHBondContact O-N 3.03Å; K268-D272 WeakPolarHBondContact O-CB 3.41Å; K268-D272 PolarHBondContact O-N 3.27Å |
| 269 | A | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.4 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F266 S267 I273 L276 M279 T348 G350 | F266-A269 HydrophobicContact CB-CB 4.13Å; F266-A269 HydrophobicContact CD1-CB 4.32Å; F266-A269 PolarHBondContact O-N 2.83Å; S267-A269 PolarHBondContact O-N 3.02Å; A269-I273 WeakPolarHBondContact O-CB 3.23Å; A269-I273 PolarHBondContact O-N 2.83Å; A269-I273 VanDerWaalsContact O-N 3.16Å; A269-L276 HydrophobicContact CB-CD1 4.38Å; A269-M279 HydrophobicContact CB-SD 4.28Å; A269-T348 PolarHBondContact N-O 3.17Å; A269-T348 VanDerWaalsContact N-O 3.15Å; A269-G350 VanDerWaalsContact CB-CA 3.46Å |
| 270 | R | 94.1 | Very high | 91.6 | Very high | 60 Ų | 60 | 69.8 Ų | 69.8 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.9 | -33.6 | 176.8 | -72.4 | -176.9 | -71.7 | -90.9 | 4.8 | 113.1 | D265 F266 S267 K268 R277 M279 D281 | D265-R270 IonicContact OD1-NH2 3.55Å; D265-R270 PolarHBondContact OD1-NH2 3.42Å; F266-R270 WeakPolarHBondContact O-CG 3.4Å; F266-R270 PolarHBondContact O-N 2.67Å; F266-R270 VanDerWaalsContact O-N 3.07Å; S267-R270 VanDerWaalsContact CA-NH2 3.34Å; S267-R270 WeakPolarHBondContact O-CB 3.17Å; S267-R270 PolarHBondContact O-N 3.31Å; K268-R270 VanDerWaalsContact C-N 3.27Å; K268-R270 PolarHBondContact O-N 3.13Å; R270-R277 VanDerWaalsContact O-CG 3.24Å; R270-R277 WeakPolarHBondContact O-CG 3.32Å; R270-M279 VanDerWaalsContact CD-O 3.3Å; R270-M279 WeakPolarHBondContact CD-O 3.32Å; R270-M279 WeakPolarHBondContact CG-O 3.41Å; R270-M279 PolarHBondContact NH1-O 3.43Å; R270-D281 IonicContact CZ-OD1 2.7Å; R270-D281 IonicContact NH1-OD1 3.43Å; R270-D281 PolarHBondContact NH1-OD1 3.03Å; R270-D281 IonicContact NH1-OD2 3.81Å; R270-D281 IonicContact NH2-OD1 3.31Å; R270-D281 PolarHBondContact NH2-OD1 3.36Å; R270-D281 IonicContact NH2-OD2 3.53Å; R270-D281 PolarHBondContact NH2-OD2 2.78Å |
| 271 | E | 92.1 | Very high | 91.2 | Very high | 147 Ų | 147 | 72 Ų | 72 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -76.5 | -52.2 | -178.9 | -72.3 | 173.7 | -164.3 | 0 | 0 | 110.8 | S267 K268 | S267-E271 WeakPolarHBondContact O-CG 3.35Å; S267-E271 PolarHBondContact O-N 3.09Å; K268-E271 PolarHBondContact O-N 3.03Å |
| 272 | D | 88.6 | Confident | 90.9 | Very high | 119 Ų | 119 | 72.1 Ų | 72.1 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -80 | -34.9 | -172.2 | -65.2 | -29.2 | 0 | 0 | 0 | 113.3 | K268 | K268-D272 WeakPolarHBondContact O-CB 3.41Å; K268-D272 PolarHBondContact O-N 3.27Å |
| 273 | I | 87 | Confident | 90.4 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | trans | -113.7 | 104.7 | -172.2 | -55.3 | 177.6 | 0 | 0 | 0 | 110.7 | A269 Q275 L276 R277 D349 G350 | A269-I273 WeakPolarHBondContact O-CB 3.23Å; A269-I273 PolarHBondContact O-N 2.83Å; A269-I273 VanDerWaalsContact O-N 3.16Å; I273-Q275 HydrophobicContact CG2-CB 4.43Å; I273-Q275 PolarHBondContact O-N 3.29Å; I273-Q275 VanDerWaalsContact O-N 3.12Å; I273-L276 HydrophobicContact CB-CB 4.2Å; I273-L276 HydrophobicContact CB-CD1 4.19Å; I273-L276 HydrophobicContact CB-CG 4.19Å; I273-L276 HydrophobicContact CD1-CD1 4.07Å; I273-L276 HydrophobicContact CG2-CB 4.18Å; I273-L276 HydrophobicContact CG2-CD1 4.04Å; I273-L276 HydrophobicContact CG2-CG 3.76Å; I273-L276 PolarHBondContact O-N 2.94Å; I273-R277 PolarHBondContact O-N 3.15Å; I273-D349 WeakPolarHBondContact CD1-O 3.46Å; I273-G350 VanDerWaalsContact CD1-O 3.27Å; I273-G350 WeakPolarHBondContact CD1-O 3.43Å | ||
| 274 | T | 83.8 | Confident | 90 | Very high | 98 Ų | 98 | 78.7 Ų | 78.7 | 60% | 0.601 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -54.8 | -34.9 | -176.7 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | L276 R277 | T274-L276 VanDerWaalsContact C-N 3.33Å; T274-R277 WeakPolarHBondContact O-CG 3.45Å |
| 275 | Q | 84.1 | Confident | 89.7 | Confident | 177 Ų | 177 | 76.4 Ų | 76.4 | 83% | 0.827 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -70.1 | -29.1 | 177.7 | -55 | -167.6 | 31.7 | 0 | 0 | 112.5 | I273 | I273-Q275 HydrophobicContact CG2-CB 4.43Å; I273-Q275 PolarHBondContact O-N 3.29Å; I273-Q275 VanDerWaalsContact O-N 3.12Å |
| 276 | L | 84.7 | Confident | 89.6 | Confident | 26 Ų | 26 | 77.7 Ų | 77.7 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -94.3 | 5.2 | -177.3 | -59.1 | -175.5 | 0 | 0 | 0 | 113.8 | A269 I273 T274 K278 M279 Y346 G350 | A269-L276 HydrophobicContact CB-CD1 4.38Å; I273-L276 HydrophobicContact CB-CB 4.2Å; I273-L276 HydrophobicContact CB-CD1 4.19Å; I273-L276 HydrophobicContact CB-CG 4.19Å; I273-L276 HydrophobicContact CD1-CD1 4.07Å; I273-L276 HydrophobicContact CG2-CB 4.18Å; I273-L276 HydrophobicContact CG2-CD1 4.04Å; I273-L276 HydrophobicContact CG2-CG 3.76Å; I273-L276 PolarHBondContact O-N 2.94Å; T274-L276 VanDerWaalsContact C-N 3.33Å; L276-K278 PolarHBondContact O-N 3.35Å; L276-M279 HydrophobicContact CB-CB 4.39Å; L276-M279 HydrophobicContact CD1-CE 4.26Å; L276-M279 HydrophobicContact CD2-CE 4.06Å; L276-M279 WeakPolarHBondContact O-CB 3.19Å; L276-M279 PolarHBondContact O-N 3Å; L276-Y346 HydrophobicContact CD1-CD1 4.29Å; L276-Y346 HydrophobicContact CD1-CE1 3.99Å; L276-G350 VanDerWaalsContact CD1-O 3.32Å; L276-G350 WeakPolarHBondContact CD1-O 3.37Å |
| 277 | R | 86 | Confident | 89.6 | Confident | 163 Ų | 163 | 79.9 Ų | 79.9 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -22 | 175.8 | -80.7 | 177.6 | 173.1 | -167.7 | -0.6 | 115.8 | R270 I273 T274 | R270-R277 VanDerWaalsContact O-CG 3.24Å; R270-R277 WeakPolarHBondContact O-CG 3.32Å; I273-R277 PolarHBondContact O-N 3.15Å; T274-R277 WeakPolarHBondContact O-CG 3.45Å |
| 278 | K | 81.8 | Confident | 89.6 | Confident | 195 Ų | 195 | 78.4 Ų | 78.4 | 85% | 0.848 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.2 | 177.1 | -64.5 | -178.5 | -178.1 | 174.5 | 0 | 114 | L276 K280 | L276-K278 PolarHBondContact O-N 3.35Å; K278-K280 PolarHBondContact O-N 2.98Å |
| 279 | M | 87 | Confident | 89.8 | Confident | 27 Ų | 27 | 75.2 Ų | 75.2 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 125.1 | 177 | -175.2 | 174.4 | -88.7 | 0 | 0 | 110 | F266 A269 R270 L276 H339 Y346 | F266-M279 HydrophobicContact CB-CG 4.06Å; F266-M279 HydrophobicContact CB-SD 3.88Å; F266-M279 HydrophobicContact CD1-CG 4.42Å; F266-M279 HydrophobicContact CD1-SD 3.35Å; F266-M279 WeakPolarHBondContact CD1-SD 3.23Å; F266-M279 HydrophobicContact CE1-SD 4.06Å; F266-M279 HydrophobicContact CG-CG 4.21Å; F266-M279 HydrophobicContact CG-SD 3.72Å; A269-M279 HydrophobicContact CB-SD 4.28Å; R270-M279 VanDerWaalsContact CD-O 3.3Å; R270-M279 WeakPolarHBondContact CD-O 3.32Å; R270-M279 WeakPolarHBondContact CG-O 3.41Å; R270-M279 PolarHBondContact NH1-O 3.43Å; L276-M279 HydrophobicContact CB-CB 4.39Å; L276-M279 HydrophobicContact CD1-CE 4.26Å; L276-M279 HydrophobicContact CD2-CE 4.06Å; L276-M279 WeakPolarHBondContact O-CB 3.19Å; L276-M279 PolarHBondContact O-N 3Å; M279-H339 HydrophobicContact CE-CB 3.76Å; M279-H339 VanDerWaalsContact CG-CD2 3.5Å; M279-H339 WeakPolarHBondContact CG-CD2 3.46Å; M279-H339 HydrophobicContact SD-CB 4.43Å; M279-H339 VanDerWaalsContact SD-CD2 3.58Å; M279-Y346 HydrophobicContact CE-CD2 3.85Å; M279-Y346 HydrophobicContact CE-CE2 4.19Å; M279-Y346 HydrophobicContact CE-CG 4.05Å |
| 280 | K | 87.9 | Confident | 90 | Very high | 165 Ų | 165 | 82 Ų | 82 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -98.6 | 149.2 | -176.1 | -60.8 | 179.8 | -178 | 176.5 | 0 | 110.9 | K278 H339 | K278-K280 PolarHBondContact O-N 2.98Å; K280-H339 PolarHBondContact O-CE1 3.32Å; K280-H339 PolarHBondContact O-NE2 2.94Å |
| 281 | D | 91.8 | Very high | 90.2 | Very high | 45 Ų | 45 | 79.7 Ų | 79.7 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 150.3 | 173.5 | -48.1 | -42.3 | 0 | 0 | 0 | 111.7 | H264 F266 R270 K283 | H264-D281 CarbonylContact O-C 3.52Å; H264-D281 VanDerWaalsContact O-CA 3.24Å; H264-D281 WeakPolarHBondContact O-CA 3.41Å; H264-D281 WeakPolarHBondContact O-CB 3.47Å; F266-D281 PolarHBondContact N-OD1 3.48Å; F266-D281 VanDerWaalsContact N-OD1 3.15Å; R270-D281 IonicContact CZ-OD1 2.7Å; R270-D281 IonicContact NH1-OD1 3.43Å; R270-D281 PolarHBondContact NH1-OD1 3.03Å; R270-D281 IonicContact NH1-OD2 3.81Å; R270-D281 IonicContact NH2-OD1 3.31Å; R270-D281 PolarHBondContact NH2-OD1 3.36Å; R270-D281 IonicContact NH2-OD2 3.53Å; R270-D281 PolarHBondContact NH2-OD2 2.78Å; D281-K283 VanDerWaalsContact C-N 3.26Å; D281-K283 PolarHBondContact O-N 3.16Å; D281-K283 VanDerWaalsContact O-N 3.09Å |
| 282 | R | 92.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | trans | -88.9 | 45.1 | -170.3 | -64.6 | -178.4 | 60 | -86.9 | 0.4 | 114 | N263 H264 F266 G284 T285 L337 S338 H339 R435 | N263-R282 WeakPolarHBondContact O-CB 3.45Å; N263-R282 VanDerWaalsContact O-CD 3.31Å; N263-R282 WeakPolarHBondContact O-CD 3.45Å; N263-R282 PolarHBondContact O-NH1 2.79Å; H264-R282 PolarHBondContact O-N 3.04Å; F266-R282 HydrophobicContact CD2-CG 4.4Å; F266-R282 HydrophobicContact CE2-CG 3.78Å; R282-G284 PolarHBondContact O-N 2.87Å; R282-T285 HydrophobicContact CB-CG2 4.22Å; R282-T285 PolarHBondContact NH1-OG1 2.89Å; R282-T285 WeakPolarHBondContact O-CB 3.33Å; R282-T285 VanDerWaalsContact O-CG2 3.24Å; R282-T285 WeakPolarHBondContact O-CG2 3.33Å; R282-T285 PolarHBondContact O-N 2.94Å; R282-L337 PolarHBondContact NH1-O 2.89Å; R282-S338 PolarHBondContact NE-O 3.22Å; R282-H339 WeakPolarHBondContact CG-NE2 3.5Å; R282-R435 VanDerWaalsContact C-NH1 3.34Å; R282-R435 VanDerWaalsContact CA-CZ 3.45Å | ||
| 283 | K | 88.4 | Confident | 91 | Very high | 131 Ų | 131 | 68.3 Ų | 68.3 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.2 | 128.8 | 174.8 | -61.3 | -168.5 | 176.8 | -168.2 | 0 | 112.7 | D281 R435 P437 | D281-K283 VanDerWaalsContact C-N 3.26Å; D281-K283 PolarHBondContact O-N 3.16Å; D281-K283 VanDerWaalsContact O-N 3.09Å; K283-R435 WeakPolarHBondContact O-CD 3.44Å; K283-R435 PolarHBondContact O-NH1 2.84Å; K283-P437 HydrophobicContact CB-CB 4.31Å |
| 284 | G | 88.8 | Confident | 91.5 | Very high | 8 Ų | 8 | 71.1 Ų | 71.1 | 8% | 0.082 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -6.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R282 D286 C287 | R282-G284 PolarHBondContact O-N 2.87Å; G284-D286 PolarHBondContact O-N 2.99Å; G284-C287 WeakPolarHBondContact O-CB 3.42Å; G284-C287 PolarHBondContact O-N 3.09Å |
| 285 | T | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -28.1 | 174.3 | -167.3 | 0 | 0 | 0 | 0 | 113.1 | N262 H264 R282 C287 D288 K289 | N262-T285 WeakPolarHBondContact OD1-CB 3.3Å; N262-T285 WeakPolarHBondContact OD1-CG2 3.4Å; N262-T285 PolarHBondContact OD1-O 3.18Å; N262-T285 PolarHBondContact OD1-OG1 3.09Å; H264-T285 HydrophobicContact CB-CG2 3.82Å; R282-T285 HydrophobicContact CB-CG2 4.22Å; R282-T285 PolarHBondContact NH1-OG1 2.89Å; R282-T285 WeakPolarHBondContact O-CB 3.33Å; R282-T285 VanDerWaalsContact O-CG2 3.24Å; R282-T285 WeakPolarHBondContact O-CG2 3.33Å; R282-T285 PolarHBondContact O-N 2.94Å; T285-C287 VanDerWaalsContact C-N 3.25Å; T285-C287 PolarHBondContact O-N 3.13Å; T285-D288 WeakPolarHBondContact O-CA 3.37Å; T285-D288 WeakPolarHBondContact O-CB 3.24Å; T285-D288 PolarHBondContact O-N 3.26Å; T285-K289 PolarHBondContact O-N 3.21Å |
| 286 | D | 95.3 | Very high | 92.9 | Very high | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.9 | -29.3 | 177.7 | -52.1 | -50.2 | 0 | 0 | 0 | 111.9 | N262 G284 D288 K289 E290 | N262-D286 PolarHBondContact ND2-OD1 3.35Å; G284-D286 PolarHBondContact O-N 2.99Å; D286-D288 VanDerWaalsContact C-N 3.32Å; D286-K289 PolarHBondContact O-N 3.16Å; D286-E290 WeakPolarHBondContact O-CB 3.44Å; D286-E290 PolarHBondContact O-N 3.29Å |
| 287 | C | 94.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 64 Ų | 64 | 31% | 0.311 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 171.4 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | G284 T285 A291 V438 Q445 | G284-C287 WeakPolarHBondContact O-CB 3.42Å; G284-C287 PolarHBondContact O-N 3.09Å; T285-C287 VanDerWaalsContact C-N 3.25Å; T285-C287 PolarHBondContact O-N 3.13Å; C287-A291 VanDerWaalsContact O-CB 3.24Å; C287-A291 WeakPolarHBondContact O-CB 3.48Å; C287-A291 PolarHBondContact O-N 3.43Å; C287-V438 PolarHBondContact SG-O 2.76Å; C287-Q445 PolarHBondContact O-NE2 3.42Å |
| 288 | D | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.2 | -44.2 | 173.8 | -72.5 | -18 | 0 | 0 | 0 | 111.3 | T285 D286 E290 A291 L292 L337 G440 T441 I444 Q445 | T285-D288 WeakPolarHBondContact O-CA 3.37Å; T285-D288 WeakPolarHBondContact O-CB 3.24Å; T285-D288 PolarHBondContact O-N 3.26Å; D286-D288 VanDerWaalsContact C-N 3.32Å; D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.31Å; D288-A291 PolarHBondContact O-N 2.84Å; D288-L292 WeakPolarHBondContact O-CB 3.37Å; D288-L292 VanDerWaalsContact O-CG 3.27Å; D288-L292 WeakPolarHBondContact O-CG 3.33Å; D288-L292 PolarHBondContact O-N 3.09Å; D288-L337 HydrophobicContact CB-CD1 3.84Å; D288-G440 VanDerWaalsContact OD1-CA 3.27Å; D288-G440 WeakPolarHBondContact OD1-CA 3.29Å; D288-T441 VanDerWaalsContact CG-N 3.28Å; D288-T441 VanDerWaalsContact CG-OG1 3.3Å; D288-T441 PolarHBondContact OD1-N 2.89Å; D288-T441 WeakPolarHBondContact OD2-CB 3.43Å; D288-T441 WeakPolarHBondContact OD2-CG2 3.34Å; D288-T441 PolarHBondContact OD2-N 3.31Å; D288-T441 PolarHBondContact OD2-OG1 2.96Å; D288-I444 HydrophobicContact CB-CB 4.09Å; D288-I444 HydrophobicContact CB-CG1 4.42Å; D288-I444 HydrophobicContact CB-CG2 3.73Å; D288-Q445 PolarHBondContact OD1-NE2 3.43Å |
| 289 | K | 98.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.9 | -45.8 | 173.1 | 170.6 | 178.8 | 171 | 176.6 | 0 | 111.3 | I260 N262 T285 D286 S293 S305 D307 L337 | I260-K289 HydrophobicContact CG2-CB 4.35Å; I260-K289 HydrophobicContact CG2-CG 4.17Å; N262-K289 HydrophobicContact CB-CB 4.38Å; N262-K289 HydrophobicContact CB-CD 3.9Å; N262-K289 WeakPolarHBondContact ND2-CD 3.36Å; T285-K289 PolarHBondContact O-N 3.21Å; D286-K289 PolarHBondContact O-N 3.16Å; K289-S293 WeakPolarHBondContact O-CB 3.31Å; K289-S293 PolarHBondContact O-N 2.93Å; K289-S293 PolarHBondContact O-OG 3.29Å; K289-S305 WeakPolarHBondContact CE-OG 3.32Å; K289-S305 PolarHBondContact NZ-OG 3.45Å; K289-D307 IonicContact NZ-OD1 2.8Å; K289-D307 PolarHBondContact NZ-OD1 3.44Å; K289-D307 IonicContact NZ-OD2 3.21Å; K289-D307 PolarHBondContact NZ-OD2 2.92Å; K289-L337 HydrophobicContact CB-CD1 4.27Å |
| 290 | E | 98.1 | Very high | 95.2 | Very high | 142 Ų | 142 | 53 Ų | 53 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 177.7 | -172.3 | 179 | -178.6 | 0 | 0 | 111.5 | D286 D288 L292 S293 K294 | D286-E290 WeakPolarHBondContact O-CB 3.44Å; D286-E290 PolarHBondContact O-N 3.29Å; D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.31Å; E290-L292 PolarHBondContact O-N 2.95Å; E290-S293 PolarHBondContact O-N 3.08Å; E290-K294 WeakPolarHBondContact O-CB 3.48Å; E290-K294 PolarHBondContact O-N 2.9Å |
| 291 | A | 98.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C287 D288 T295 C448 | C287-A291 VanDerWaalsContact O-CB 3.24Å; C287-A291 WeakPolarHBondContact O-CB 3.48Å; C287-A291 PolarHBondContact O-N 3.43Å; D288-A291 PolarHBondContact O-N 2.84Å; A291-T295 VanDerWaalsContact O-CB 3.27Å; A291-T295 WeakPolarHBondContact O-CB 3.24Å; A291-T295 PolarHBondContact O-N 2.77Å; A291-T295 PolarHBondContact O-OG1 2.75Å; A291-C448 VanDerWaalsContact C-SG 3.52Å; A291-C448 HydrophobicContact CB-CB 4.12Å |
| 292 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -48.1 | 174.8 | -72.5 | 166.2 | 0 | 0 | 0 | 111.5 | I260 D288 E290 K294 T295 F296 C335 L337 I444 | I260-L292 HydrophobicContact CD1-CB 3.78Å; I260-L292 HydrophobicContact CG2-CD1 4.42Å; D288-L292 WeakPolarHBondContact O-CB 3.37Å; D288-L292 VanDerWaalsContact O-CG 3.27Å; D288-L292 WeakPolarHBondContact O-CG 3.33Å; D288-L292 PolarHBondContact O-N 3.09Å; E290-L292 PolarHBondContact O-N 2.95Å; L292-K294 VanDerWaalsContact C-N 3.32Å; L292-K294 PolarHBondContact O-N 3.41Å; L292-T295 PolarHBondContact O-N 2.83Å; L292-F296 HydrophobicContact CB-CD2 4.49Å; L292-F296 HydrophobicContact CD2-CD2 4.17Å; L292-F296 HydrophobicContact CD2-CE2 3.69Å; L292-F296 WeakPolarHBondContact O-CD2 3.49Å; L292-F296 PolarHBondContact O-N 3.02Å; L292-C335 HydrophobicContact CD1-CB 3.93Å; L292-L337 HydrophobicContact CD1-CD1 4.14Å; L292-L337 HydrophobicContact CD1-CD2 3.95Å; L292-L337 HydrophobicContact CD1-CG 4.4Å; L292-I444 HydrophobicContact CD1-CD1 4.26Å; L292-I444 HydrophobicContact CD1-CG2 3.85Å; L292-I444 HydrophobicContact CD2-CD1 4.37Å; L292-I444 HydrophobicContact CD2-CG2 3.94Å; L292-I444 HydrophobicContact CG-CG2 3.59Å |
| 293 | S | 98.4 | Very high | 96.3 | Very high | 28 Ų | 28 | 49 Ų | 49 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 179.6 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | I260 K289 E290 K297 | I260-S293 WeakPolarHBondContact CD1-OG 3.42Å; K289-S293 WeakPolarHBondContact O-CB 3.31Å; K289-S293 PolarHBondContact O-N 2.93Å; K289-S293 PolarHBondContact O-OG 3.29Å; E290-S293 PolarHBondContact O-N 3.08Å; S293-K297 WeakPolarHBondContact O-CB 3.41Å; S293-K297 PolarHBondContact O-N 2.99Å; S293-K297 VanDerWaalsContact O-N 3.15Å |
| 294 | K | 98.1 | Very high | 96.8 | Very high | 111 Ų | 111 | 44.3 Ų | 44.3 | 48% | 0.483 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.9 | -52.4 | 176.4 | -179.7 | 171.9 | 177.3 | 178.3 | 0 | 111.2 | E290 L292 K297 E298 | E290-K294 WeakPolarHBondContact O-CB 3.48Å; E290-K294 PolarHBondContact O-N 2.9Å; L292-K294 VanDerWaalsContact C-N 3.32Å; L292-K294 PolarHBondContact O-N 3.41Å; K294-K297 PolarHBondContact O-N 2.99Å; K294-E298 WeakPolarHBondContact CE-OE1 3.44Å; K294-E298 VanDerWaalsContact CG-OE1 3.3Å; K294-E298 WeakPolarHBondContact CG-OE1 3.43Å; K294-E298 WeakPolarHBondContact O-CG 3.37Å; K294-E298 PolarHBondContact O-N 3.36Å |
| 295 | T | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -51.6 | -176.3 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | A291 L292 K297 E298 L299 C448 L451 R452 | A291-T295 VanDerWaalsContact O-CB 3.27Å; A291-T295 WeakPolarHBondContact O-CB 3.24Å; A291-T295 PolarHBondContact O-N 2.77Å; A291-T295 PolarHBondContact O-OG1 2.75Å; L292-T295 PolarHBondContact O-N 2.83Å; T295-K297 VanDerWaalsContact C-N 3.33Å; T295-K297 PolarHBondContact O-N 3.01Å; T295-E298 WeakPolarHBondContact O-CB 3.37Å; T295-E298 PolarHBondContact O-N 2.94Å; T295-L299 HydrophobicContact CG2-CD1 4.35Å; T295-L299 WeakPolarHBondContact O-CG 3.25Å; T295-L299 PolarHBondContact O-N 3.42Å; T295-C448 WeakPolarHBondContact OG1-CB 3.34Å; T295-L451 HydrophobicContact CG2-CB 3.8Å; T295-L451 HydrophobicContact CG2-CD1 3.97Å; T295-R452 HydrophobicContact CG2-CG 3.85Å |
| 296 | F | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.6 | -24.6 | -177.8 | -73.3 | -63.6 | 0 | 0 | 0 | 113 | C258 L292 L299 H300 F301 I303 I333 F378 L451 | C258-F296 HydrophobicContact CB-CB 4.2Å; L292-F296 HydrophobicContact CB-CD2 4.49Å; L292-F296 HydrophobicContact CD2-CD2 4.17Å; L292-F296 HydrophobicContact CD2-CE2 3.69Å; L292-F296 WeakPolarHBondContact O-CD2 3.49Å; L292-F296 PolarHBondContact O-N 3.02Å; F296-L299 HydrophobicContact CD1-CD1 4.14Å; F296-L299 HydrophobicContact CE1-CD1 4.26Å; F296-L299 CarbonylContact O-C 3.6Å; F296-L299 VanDerWaalsContact O-C 3.31Å; F296-L299 PolarHBondContact O-N 3.45Å; F296-H300 PolarHBondContact O-N 3.34Å; F296-F301 HydrophobicContact CB-CB 4.17Å; F296-F301 HydrophobicContact CB-CD2 4.42Å; F296-F301 HydrophobicContact CB-CG 4.49Å; F296-F301 HydrophobicContact CD1-CD2 4.08Å; F296-F301 HydrophobicContact CD1-CE2 4.38Å; F296-F301 WeakPolarHBondContact O-CB 3.38Å; F296-F301 PolarHBondContact O-N 3.43Å; F296-I303 HydrophobicContact CB-CD1 3.58Å; F296-I333 HydrophobicContact CD1-CD1 3.65Å; F296-I333 HydrophobicContact CE1-CD1 3.46Å; F296-I333 VanDerWaalsContact CE1-CD1 3.46Å; F296-I333 HydrophobicContact CZ-CD1 4.16Å; F296-I333 HydrophobicContact CZ-CG2 4.46Å; F296-F378 HydrophobicContact CE1-CE2 4.46Å; F296-F378 HydrophobicContact CE2-CD2 4.4Å; F296-F378 HydrophobicContact CE2-CE2 4.31Å; F296-F378 HydrophobicContact CZ-CD2 4.15Å; F296-F378 AromaticContact CZ-CE2 3.62Å; F296-F378 HydrophobicContact CZ-CE2 3.62Å; F296-F378 HydrophobicContact CZ-CZ 4.49Å; F296-L451 HydrophobicContact CE1-CD1 4.05Å; F296-L451 HydrophobicContact CE2-CD1 4.39Å; F296-L451 HydrophobicContact CZ-CD1 3.66Å |
| 297 | K | 97.8 | Very high | 97.7 | Very high | 151 Ų | 151 | 49.9 Ų | 49.9 | 66% | 0.657 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -71 | -39.5 | 171.4 | -175.2 | 175.2 | -177.6 | 176.3 | 0 | 111.9 | S293 K294 T295 L299 H300 I303 | S293-K297 WeakPolarHBondContact O-CB 3.41Å; S293-K297 PolarHBondContact O-N 2.99Å; S293-K297 VanDerWaalsContact O-N 3.15Å; K294-K297 PolarHBondContact O-N 2.99Å; T295-K297 VanDerWaalsContact C-N 3.33Å; T295-K297 PolarHBondContact O-N 3.01Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 3.26Å; K297-H300 PolarHBondContact O-N 2.81Å; K297-I303 HydrophobicContact CB-CD1 4.44Å; K297-I303 HydrophobicContact CB-CG1 3.97Å |
| 298 | E | 96.7 | Very high | 97.9 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 169.7 | -73.7 | 165.5 | -179.9 | 0 | 0 | 110.2 | K294 T295 H300 R452 | K294-E298 WeakPolarHBondContact CE-OE1 3.44Å; K294-E298 VanDerWaalsContact CG-OE1 3.3Å; K294-E298 WeakPolarHBondContact CG-OE1 3.43Å; K294-E298 WeakPolarHBondContact O-CG 3.37Å; K294-E298 PolarHBondContact O-N 3.36Å; T295-E298 WeakPolarHBondContact O-CB 3.37Å; T295-E298 PolarHBondContact O-N 2.94Å; E298-H300 PolarHBondContact O-N 2.77Å; E298-H300 PolarHBondContact O-ND1 3.45Å; E298-R452 WeakPolarHBondContact OE2-CD 3.47Å |
| 299 | L | 96.7 | Very high | 98.1 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 15.6 | 171.8 | -58.5 | 176.2 | 0 | 0 | 0 | 115 | R255 T295 F296 K297 F301 L451 C455 F498 | R255-L299 WeakPolarHBondContact CG-O 3.43Å; T295-L299 HydrophobicContact CG2-CD1 4.35Å; T295-L299 WeakPolarHBondContact O-CG 3.25Å; T295-L299 PolarHBondContact O-N 3.42Å; F296-L299 HydrophobicContact CD1-CD1 4.14Å; F296-L299 HydrophobicContact CE1-CD1 4.26Å; F296-L299 CarbonylContact O-C 3.6Å; F296-L299 VanDerWaalsContact O-C 3.31Å; F296-L299 PolarHBondContact O-N 3.45Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 3.26Å; L299-F301 HydrophobicContact CB-CD2 4.11Å; L299-F301 HydrophobicContact CB-CE2 4.27Å; L299-F301 WeakPolarHBondContact O-CD2 3.48Å; L299-F301 PolarHBondContact O-N 3.05Å; L299-L451 HydrophobicContact CD1-CD2 4.44Å; L299-C455 HydrophobicContact CD2-CB 3.86Å; L299-F498 HydrophobicContact CD1-CB 4.08Å; L299-F498 HydrophobicContact CD1-CD2 4.36Å; L299-F498 HydrophobicContact CD1-CG 4.34Å; L299-F498 HydrophobicContact CD2-CB 3.98Å; L299-F498 HydrophobicContact CG-CB 4.43Å |
| 300 | H | 97.6 | Very high | 98.1 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 25% | 0.25 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 28.4 | 173.6 | -53.3 | -28.4 | 0 | 0 | 0 | 117.2 | K253 P254 R255 F296 K297 E298 P500 | K253-H300 WeakPolarHBondContact CE-CD2 3.35Å; K253-H300 PolarHBondContact NZ-CD2 3.37Å; K253-H300 PolarHBondContact NZ-NE2 3.1Å; P254-H300 CarbonylContact C-O 3.56Å; P254-H300 WeakPolarHBondContact CA-O 3.31Å; R255-H300 HydrophobicContact CG-CB 3.88Å; R255-H300 PolarHBondContact N-O 2.86Å; F296-H300 PolarHBondContact O-N 3.34Å; K297-H300 PolarHBondContact O-N 2.81Å; E298-H300 PolarHBondContact O-N 2.77Å; E298-H300 PolarHBondContact O-ND1 3.45Å; H300-P500 PolarHBondContact NE2-OXT 2.98Å; H300-P500 VanDerWaalsContact NE2-OXT 3.09Å |
| 301 | F | 98.2 | Very high | 98 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | trans | -83.7 | 151.9 | 167.6 | -71.8 | -98.9 | 0 | 0 | 0 | 112 | R255 C258 F296 L299 I303 C331 I333 F498 | R255-F301 HydrophobicContact CB-CD1 4.19Å; R255-F301 HydrophobicContact CB-CD2 4.15Å; R255-F301 HydrophobicContact CB-CE1 3.97Å; R255-F301 HydrophobicContact CB-CE2 3.92Å; R255-F301 HydrophobicContact CB-CG 4.27Å; R255-F301 HydrophobicContact CB-CZ 3.82Å; R255-F301 HydrophobicContact CG-CE2 4.32Å; C258-F301 HydrophobicContact CB-CB 3.8Å; C258-F301 HydrophobicContact CB-CD1 4.31Å; C258-F301 HydrophobicContact CB-CG 4.29Å; F296-F301 HydrophobicContact CB-CB 4.17Å; F296-F301 HydrophobicContact CB-CD2 4.42Å; F296-F301 HydrophobicContact CB-CG 4.49Å; F296-F301 HydrophobicContact CD1-CD2 4.08Å; F296-F301 HydrophobicContact CD1-CE2 4.38Å; F296-F301 WeakPolarHBondContact O-CB 3.38Å; F296-F301 PolarHBondContact O-N 3.43Å; L299-F301 HydrophobicContact CB-CD2 4.11Å; L299-F301 HydrophobicContact CB-CE2 4.27Å; L299-F301 WeakPolarHBondContact O-CD2 3.48Å; L299-F301 PolarHBondContact O-N 3.05Å; F301-I303 HydrophobicContact CB-CD1 4.15Å; F301-I303 PolarHBondContact O-N 3.43Å; F301-C331 HydrophobicContact CE1-CB 3.82Å; F301-C331 HydrophobicContact CZ-CB 3.98Å; F301-I333 HydrophobicContact CD1-CD1 3.94Å; F301-I333 HydrophobicContact CD1-CG1 4.13Å; F301-I333 HydrophobicContact CD2-CD1 4.35Å; F301-I333 HydrophobicContact CE1-CD1 3.49Å; F301-I333 VanDerWaalsContact CE1-CD1 3.49Å; F301-I333 HydrophobicContact CE1-CG1 3.66Å; F301-I333 HydrophobicContact CE2-CD1 3.95Å; F301-I333 HydrophobicContact CG-CD1 4.36Å; F301-I333 HydrophobicContact CZ-CD1 3.5Å; F301-I333 HydrophobicContact CZ-CG1 4.12Å; F301-F498 AromaticContact CE2-CD1 3.94Å; F301-F498 HydrophobicContact CE2-CD1 3.94Å; F301-F498 HydrophobicContact CE2-CE1 4.1Å; F301-F498 HydrophobicContact CZ-CD1 4.02Å; F301-F498 AromaticContact CZ-CE1 3.76Å; F301-F498 HydrophobicContact CZ-CE1 3.76Å | ||
| 302 | E | 98.1 | Very high | 98 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 105 | 169.5 | -171.9 | 178.1 | 165.3 | 0 | 0 | 108.4 | P254 G256 Y257 C258 K329 | P254-E302 HydrophobicContact CB-CB 3.9Å; P254-E302 HydrophobicContact CG-CB 4.29Å; G256-E302 WeakPolarHBondContact O-CB 3.46Å; G256-E302 PolarHBondContact O-N 3.12Å; Y257-E302 HydrophobicContact CD1-CB 4.25Å; Y257-E302 HydrophobicContact CD1-CG 4.18Å; Y257-E302 HydrophobicContact CE1-CG 4.17Å; Y257-E302 VanDerWaalsContact CE1-OE1 3.3Å; Y257-E302 WeakPolarHBondContact CE1-OE1 3.46Å; Y257-E302 WeakPolarHBondContact CE1-OE2 3.2Å; C258-E302 PolarHBondContact N-O 3.47Å; E302-K329 IonicContact OE2-NZ 2.68Å; E302-K329 PolarHBondContact OE2-NZ 3.38Å |
| 303 | I | 98.4 | Very high | 98 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.2 | -176.8 | -48.9 | -51.6 | 0 | 0 | 0 | 110 | C258 I260 F296 K297 F301 | C258-I303 HydrophobicContact CB-CD1 3.72Å; I260-I303 HydrophobicContact CD1-CG2 3.77Å; F296-I303 HydrophobicContact CB-CD1 3.58Å; K297-I303 HydrophobicContact CB-CD1 4.44Å; K297-I303 HydrophobicContact CB-CG1 3.97Å; F301-I303 HydrophobicContact CB-CD1 4.15Å; F301-I303 PolarHBondContact O-N 3.43Å |
| 304 | V | 98.5 | Very high | 98 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.7 | 170.9 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | Y257 C258 L259 I260 Y306 | Y257-V304 HydrophobicContact CD1-CG2 4.22Å; C258-V304 PolarHBondContact O-N 3.41Å; L259-V304 CarbonylContact C-O 3.59Å; L259-V304 VanDerWaalsContact CA-O 3.3Å; L259-V304 WeakPolarHBondContact CA-O 3.5Å; L259-V304 HydrophobicContact CD2-CB 4.08Å; I260-V304 PolarHBondContact N-O 3.25Å; V304-Y306 HydrophobicContact CB-CE2 4.45Å; V304-Y306 HydrophobicContact CG1-CD2 4.43Å; V304-Y306 HydrophobicContact CG1-CE2 3.59Å |
| 305 | S | 98.2 | Very high | 97.9 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.7 | -177.7 | 67 | 0 | 0 | 0 | 0 | 112.1 | I260 K289 | I260-S305 CarbonylContact O-C 3.47Å; I260-S305 VanDerWaalsContact O-CA 3.25Å; I260-S305 WeakPolarHBondContact O-CA 3.27Å; K289-S305 WeakPolarHBondContact CE-OG 3.32Å; K289-S305 PolarHBondContact NZ-OG 3.45Å |
| 306 | Y | 98.7 | Very high | 97.9 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 29% | 0.286 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.3 | 173.3 | -58.9 | -92.8 | 0 | 0 | 0 | 108.5 | I260 N262 V304 C309 I317 Y321 | I260-Y306 PolarHBondContact O-N 2.96Å; N262-Y306 PolarHBondContact N-O 2.95Å; V304-Y306 HydrophobicContact CB-CE2 4.45Å; V304-Y306 HydrophobicContact CG1-CD2 4.43Å; V304-Y306 HydrophobicContact CG1-CE2 3.59Å; Y306-C309 VanDerWaalsContact CB-SG 3.5Å; Y306-I317 HydrophobicContact CD1-CD1 3.57Å; Y306-I317 HydrophobicContact CD1-CG1 4.05Å; Y306-I317 HydrophobicContact CD2-CD1 3.99Å; Y306-I317 HydrophobicContact CD2-CG1 4.47Å; Y306-I317 HydrophobicContact CD2-CG2 3.97Å; Y306-I317 HydrophobicContact CE1-CD1 4.04Å; Y306-I317 HydrophobicContact CE1-CG1 3.98Å; Y306-I317 HydrophobicContact CE2-CD1 4.43Å; Y306-I317 HydrophobicContact CE2-CG1 4.42Å; Y306-I317 HydrophobicContact CE2-CG2 3.64Å; Y306-I317 HydrophobicContact CG-CD1 3.54Å; Y306-I317 HydrophobicContact CG-CG1 4.3Å; Y306-Y321 HydrophobicContact CE2-CE2 4.23Å; Y306-Y321 WeakPolarHBondContact OH-CE2 3.04Å |
| 307 | D | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.6 | 179.9 | -61.7 | -57.2 | 0 | 0 | 0 | 110.5 | N262 K289 C309 | N262-D307 WeakPolarHBondContact CB-OD1 3.5Å; N262-D307 PolarHBondContact ND2-OD1 3.24Å; N262-D307 WeakPolarHBondContact O-CA 3.45Å; K289-D307 IonicContact NZ-OD1 2.8Å; K289-D307 PolarHBondContact NZ-OD1 3.44Å; K289-D307 IonicContact NZ-OD2 3.21Å; K289-D307 PolarHBondContact NZ-OD2 2.92Å; D307-C309 PolarHBondContact O-N 3.5Å |
| 308 | D | 98.2 | Very high | 97.9 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 54.2 | 37.9 | 169.7 | -68.7 | -32.5 | 0 | 0 | 0 | 117 | N262 H264 D265 T348 | N262-D308 PolarHBondContact O-N 3.07Å; H264-D308 WeakPolarHBondContact CA-OD1 3.22Å; H264-D308 PolarHBondContact N-OD1 3.31Å; D265-D308 PolarHBondContact N-OD1 3.19Å; D308-T348 VanDerWaalsContact CA-CG2 3.49Å; D308-T348 HydrophobicContact CB-CG2 3.94Å; D308-T348 VanDerWaalsContact O-CG2 3.27Å; D308-T348 WeakPolarHBondContact O-CG2 3.46Å; D308-T348 PolarHBondContact O-OG1 3.44Å |
| 309 | C | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -72.4 | 132.7 | -178.3 | -50.5 | 0 | 0 | 0 | 0 | 113.7 | I261 N263 Y306 D307 E313 I314 G347 T348 | I261-C309 HydrophobicContact CG2-CB 4.24Å; N263-C309 PolarHBondContact ND2-O 3.28Å; N263-C309 PolarHBondContact OD1-N 2.93Å; Y306-C309 VanDerWaalsContact CB-SG 3.5Å; D307-C309 PolarHBondContact O-N 3.5Å; C309-E313 HydrophobicContact CB-CB 4.18Å; C309-I314 HydrophobicContact CB-CD1 4.37Å; C309-I314 HydrophobicContact CB-CG1 3.66Å; C309-G347 WeakPolarHBondContact O-CA 3.47Å; C309-T348 PolarHBondContact O-N 2.67Å; C309-T348 PolarHBondContact O-OG1 2.85Å | ||
| 310 | T | 98.2 | Very high | 98 | Very high | 20 Ų | 20 | 48 Ų | 48 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | trans | -66.4 | 164.3 | 164.2 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | N312 E313 I314 T348 D349 | T310-N312 PolarHBondContact O-N 3.43Å; T310-E313 VanDerWaalsContact CB-OE2 3.27Å; T310-E313 WeakPolarHBondContact CB-OE2 3.32Å; T310-E313 VanDerWaalsContact CG2-OE2 3.3Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.47Å; T310-E313 PolarHBondContact N-OE2 2.74Å; T310-E313 PolarHBondContact O-N 2.79Å; T310-E313 VanDerWaalsContact OG1-CD 3.23Å; T310-E313 WeakPolarHBondContact OG1-CG 3.34Å; T310-E313 PolarHBondContact OG1-N 2.79Å; T310-E313 PolarHBondContact OG1-OE2 3.04Å; T310-I314 WeakPolarHBondContact O-CG1 3.49Å; T310-I314 PolarHBondContact O-N 3.07Å; T310-I314 VanDerWaalsContact O-N 3.08Å; T310-T348 PolarHBondContact N-OG1 2.86Å; T310-D349 WeakPolarHBondContact CA-OD1 3.36Å; T310-D349 WeakPolarHBondContact CB-OD1 3.42Å; T310-D349 HydrophobicContact CG2-CB 3.82Å | ||
| 311 | A | 96.6 | Very high | 98 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I314 H315 D349 K351 A353 | A311-I314 WeakPolarHBondContact O-CB 3.24Å; A311-I314 PolarHBondContact O-N 2.86Å; A311-H315 PolarHBondContact O-CD2 3.33Å; A311-H315 VanDerWaalsContact O-CD2 3.24Å; A311-H315 PolarHBondContact O-N 3.38Å; A311-D349 PolarHBondContact N-OD1 2.64Å; A311-K351 HydrophobicContact CB-CB 3.78Å; A311-A353 HydrophobicContact CB-CB 4.43Å |
| 312 | N | 97.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 48.6 Ų | 48.6 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 178.8 | -172.3 | 82.2 | 0 | 0 | 0 | 112.6 | T310 I314 H315 E316 | T310-N312 PolarHBondContact O-N 3.43Å; N312-I314 VanDerWaalsContact C-N 3.25Å; N312-I314 PolarHBondContact O-N 2.79Å; N312-H315 WeakPolarHBondContact O-CB 3.35Å; N312-H315 PolarHBondContact O-N 3.18Å; N312-H315 VanDerWaalsContact O-N 3.07Å; N312-E316 PolarHBondContact ND2-OE1 2.93Å; N312-E316 WeakPolarHBondContact O-CG 3.3Å; N312-E316 PolarHBondContact O-N 3.17Å |
| 313 | E | 98.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 176.7 | -71.5 | 160.2 | 143.8 | 0 | 0 | 111.6 | C309 T310 E316 I317 | C309-E313 HydrophobicContact CB-CB 4.18Å; T310-E313 VanDerWaalsContact CB-OE2 3.27Å; T310-E313 WeakPolarHBondContact CB-OE2 3.32Å; T310-E313 VanDerWaalsContact CG2-OE2 3.3Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.47Å; T310-E313 PolarHBondContact N-OE2 2.74Å; T310-E313 PolarHBondContact O-N 2.79Å; T310-E313 VanDerWaalsContact OG1-CD 3.23Å; T310-E313 WeakPolarHBondContact OG1-CG 3.34Å; T310-E313 PolarHBondContact OG1-N 2.79Å; T310-E313 PolarHBondContact OG1-OE2 3.04Å; E313-E316 PolarHBondContact O-N 2.95Å; E313-I317 WeakPolarHBondContact O-CB 3.29Å; E313-I317 VanDerWaalsContact O-CD1 3.3Å; E313-I317 WeakPolarHBondContact O-CD1 3.2Å; E313-I317 WeakPolarHBondContact O-CG1 3.15Å; E313-I317 PolarHBondContact O-N 3.48Å |
| 314 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 172.9 | -65.4 | 171.8 | 0 | 0 | 0 | 110.6 | I261 C309 T310 A311 N312 I317 L318 L358 | I261-I314 HydrophobicContact CD1-CB 4.44Å; I261-I314 HydrophobicContact CD1-CG1 4.24Å; I261-I314 HydrophobicContact CD1-CG2 3.87Å; I261-I314 HydrophobicContact CG2-CD1 4.14Å; I261-I314 HydrophobicContact CG2-CG1 3.99Å; C309-I314 HydrophobicContact CB-CD1 4.37Å; C309-I314 HydrophobicContact CB-CG1 3.66Å; T310-I314 WeakPolarHBondContact O-CG1 3.49Å; T310-I314 PolarHBondContact O-N 3.07Å; T310-I314 VanDerWaalsContact O-N 3.08Å; A311-I314 WeakPolarHBondContact O-CB 3.24Å; A311-I314 PolarHBondContact O-N 2.86Å; N312-I314 VanDerWaalsContact C-N 3.25Å; N312-I314 PolarHBondContact O-N 2.79Å; I314-I317 PolarHBondContact O-N 3.44Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 2.98Å; I314-L318 VanDerWaalsContact O-N 3.12Å; I314-L358 HydrophobicContact CG2-CD1 4.02Å; I314-L358 HydrophobicContact CG2-CD2 3.69Å |
| 315 | H | 97.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 176.6 | -81.1 | -86 | 0 | 0 | 0 | 112 | A311 N312 I317 L318 E319 Y361 | A311-H315 PolarHBondContact O-CD2 3.33Å; A311-H315 VanDerWaalsContact O-CD2 3.24Å; A311-H315 PolarHBondContact O-N 3.38Å; N312-H315 WeakPolarHBondContact O-CB 3.35Å; N312-H315 PolarHBondContact O-N 3.18Å; N312-H315 VanDerWaalsContact O-N 3.07Å; H315-I317 PolarHBondContact O-N 3.42Å; H315-L318 PolarHBondContact O-N 3.44Å; H315-E319 WeakPolarHBondContact O-CB 3.46Å; H315-E319 PolarHBondContact O-N 3.24Å; H315-Y361 AromaticContact ND1-CE2 3.45Å; H315-Y361 WeakPolarHBondContact ND1-CE2 3.46Å; H315-Y361 AromaticContact ND1-CZ 3.59Å; H315-Y361 PolarHBondContact ND1-OH 2.76Å |
| 316 | E | 98.1 | Very high | 96.6 | Very high | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 178.1 | -70.4 | 173.8 | 172.9 | 0 | 0 | 112.5 | N312 E313 G320 | N312-E316 PolarHBondContact ND2-OE1 2.93Å; N312-E316 WeakPolarHBondContact O-CG 3.3Å; N312-E316 PolarHBondContact O-N 3.17Å; E313-E316 PolarHBondContact O-N 2.95Å; E316-G320 PolarHBondContact O-N 2.85Å |
| 317 | I | 98.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.4 | -70.7 | 159.9 | 0 | 0 | 0 | 110.3 | L259 Y306 E313 I314 H315 G320 Y321 | L259-I317 HydrophobicContact CD1-CG2 4.4Å; Y306-I317 HydrophobicContact CD1-CD1 3.57Å; Y306-I317 HydrophobicContact CD1-CG1 4.05Å; Y306-I317 HydrophobicContact CD2-CD1 3.99Å; Y306-I317 HydrophobicContact CD2-CG1 4.47Å; Y306-I317 HydrophobicContact CD2-CG2 3.97Å; Y306-I317 HydrophobicContact CE1-CD1 4.04Å; Y306-I317 HydrophobicContact CE1-CG1 3.98Å; Y306-I317 HydrophobicContact CE2-CD1 4.43Å; Y306-I317 HydrophobicContact CE2-CG1 4.42Å; Y306-I317 HydrophobicContact CE2-CG2 3.64Å; Y306-I317 HydrophobicContact CG-CD1 3.54Å; Y306-I317 HydrophobicContact CG-CG1 4.3Å; E313-I317 WeakPolarHBondContact O-CB 3.29Å; E313-I317 VanDerWaalsContact O-CD1 3.3Å; E313-I317 WeakPolarHBondContact O-CD1 3.2Å; E313-I317 WeakPolarHBondContact O-CG1 3.15Å; E313-I317 PolarHBondContact O-N 3.48Å; I314-I317 PolarHBondContact O-N 3.44Å; H315-I317 PolarHBondContact O-N 3.42Å; I317-G320 PolarHBondContact O-N 2.77Å; I317-Y321 HydrophobicContact CG2-CD2 4.15Å; I317-Y321 HydrophobicContact CG2-CE2 4.34Å; I317-Y321 VanDerWaalsContact O-CD2 3.31Å; I317-Y321 WeakPolarHBondContact O-CD2 3.47Å; I317-Y321 PolarHBondContact O-N 2.86Å; I317-Y321 VanDerWaalsContact O-N 3.1Å |
| 318 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -36.9 | -178.1 | -64.4 | -169.1 | 0 | 0 | 0 | 112.7 | L259 I314 H315 Y321 Q322 L358 Y361 F362 | L259-L318 HydrophobicContact CD1-CD2 3.9Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 2.98Å; I314-L318 VanDerWaalsContact O-N 3.12Å; H315-L318 PolarHBondContact O-N 3.44Å; L318-Y321 CarbonylContact O-C 3.57Å; L318-Y321 PolarHBondContact O-N 3.15Å; L318-Q322 PolarHBondContact O-N 3.33Å; L318-L358 HydrophobicContact CD1-CB 3.74Å; L318-L358 HydrophobicContact CD1-CD2 3.73Å; L318-L358 HydrophobicContact CD1-CG 4.24Å; L318-L358 WeakPolarHBondContact CD1-O 3.38Å; L318-Y361 HydrophobicContact CB-CD2 4.13Å; L318-Y361 HydrophobicContact CB-CG 4.22Å; L318-Y361 HydrophobicContact CD1-CD2 4.47Å; L318-F362 HydrophobicContact CB-CE2 4.02Å; L318-F362 HydrophobicContact CB-CZ 4.21Å; L318-F362 HydrophobicContact CD1-CE2 4.31Å; L318-F362 HydrophobicContact CD2-CE2 4.02Å; L318-F362 HydrophobicContact CD2-CZ 4.13Å; L318-F362 HydrophobicContact CG-CE2 4.33Å; L318-F362 WeakPolarHBondContact O-CZ 3.16Å |
| 319 | E | 96.9 | Very high | 96 | Very high | 103 Ų | 103 | 52.6 Ų | 52.6 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 173.9 | -174 | 170.8 | -138.6 | 0 | 0 | 112.3 | H315 Y321 Q322 S323 Y361 | H315-E319 WeakPolarHBondContact O-CB 3.46Å; H315-E319 PolarHBondContact O-N 3.24Å; E319-Y321 VanDerWaalsContact C-N 3.32Å; E319-Y321 PolarHBondContact O-N 3.22Å; E319-Q322 WeakPolarHBondContact O-CB 3.3Å; E319-Q322 PolarHBondContact O-N 3.34Å; E319-S323 PolarHBondContact O-N 3.08Å; E319-S323 VanDerWaalsContact O-N 3.14Å; E319-S323 PolarHBondContact O-OG 3.49Å; E319-Y361 HydrophobicContact CB-CD1 4.17Å; E319-Y361 HydrophobicContact CB-CE1 3.78Å; E319-Y361 HydrophobicContact CG-CE1 4.28Å |
| 320 | G | 97.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E316 I317 S323 A324 | E316-G320 PolarHBondContact O-N 2.85Å; I317-G320 PolarHBondContact O-N 2.77Å; G320-S323 PolarHBondContact O-N 2.95Å; G320-A324 PolarHBondContact O-N 2.9Å |
| 321 | Y | 97.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 13% | 0.125 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79.4 | -25.8 | 176.6 | -80.9 | -74.2 | 0 | 0 | 0 | 114.6 | Y257 L259 Y306 I317 L318 E319 S323 A324 H326 | Y257-Y321 AromaticContact CD1-CE1 3.71Å; Y257-Y321 HydrophobicContact CD1-CE1 3.71Å; Y257-Y321 HydrophobicContact CD2-CD1 4.14Å; Y257-Y321 HydrophobicContact CD2-CE1 4.08Å; Y257-Y321 AromaticContact CE1-CE1 3.9Å; Y257-Y321 HydrophobicContact CE1-CE1 3.9Å; Y257-Y321 HydrophobicContact CE2-CD1 4.46Å; Y257-Y321 HydrophobicContact CE2-CE1 4.26Å; Y257-Y321 HydrophobicContact CG-CD1 4.16Å; Y257-Y321 AromaticContact CG-CE1 3.8Å; Y257-Y321 HydrophobicContact CG-CE1 3.8Å; L259-Y321 HydrophobicContact CD1-CD2 3.45Å; L259-Y321 VanDerWaalsContact CD1-CD2 3.45Å; L259-Y321 HydrophobicContact CD1-CE2 4.01Å; L259-Y321 HydrophobicContact CD1-CG 3.79Å; L259-Y321 HydrophobicContact CD2-CD1 4.12Å; L259-Y321 HydrophobicContact CD2-CD2 3.7Å; L259-Y321 HydrophobicContact CD2-CE1 3.87Å; L259-Y321 HydrophobicContact CD2-CE2 3.42Å; L259-Y321 VanDerWaalsContact CD2-CE2 3.42Å; L259-Y321 HydrophobicContact CD2-CG 4.06Å; L259-Y321 HydrophobicContact CG-CD2 4.23Å; L259-Y321 HydrophobicContact CG-CE2 4.38Å; L259-Y321 HydrophobicContact CG-CG 4.5Å; Y306-Y321 HydrophobicContact CE2-CE2 4.23Å; Y306-Y321 WeakPolarHBondContact OH-CE2 3.04Å; I317-Y321 HydrophobicContact CG2-CD2 4.15Å; I317-Y321 HydrophobicContact CG2-CE2 4.34Å; I317-Y321 VanDerWaalsContact O-CD2 3.31Å; I317-Y321 WeakPolarHBondContact O-CD2 3.47Å; I317-Y321 PolarHBondContact O-N 2.86Å; I317-Y321 VanDerWaalsContact O-N 3.1Å; L318-Y321 CarbonylContact O-C 3.57Å; L318-Y321 PolarHBondContact O-N 3.15Å; E319-Y321 VanDerWaalsContact C-N 3.32Å; E319-Y321 PolarHBondContact O-N 3.22Å; Y321-S323 PolarHBondContact O-N 3.32Å; Y321-A324 PolarHBondContact O-N 2.89Å; Y321-H326 PolarHBondContact O-NE2 3.43Å |
| 322 | Q | 94.9 | Very high | 96 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 166 | 169.9 | -165.2 | -15.9 | 0 | 0 | 109.7 | L318 E319 A324 Y361 K366 C367 | L318-Q322 PolarHBondContact O-N 3.33Å; E319-Q322 WeakPolarHBondContact O-CB 3.3Å; E319-Q322 PolarHBondContact O-N 3.34Å; Q322-A324 PolarHBondContact O-N 2.89Å; Q322-Y361 VanDerWaalsContact CG-O 3.25Å; Q322-Y361 WeakPolarHBondContact CG-O 3.3Å; Q322-K366 HydrophobicContact CG-CB 4.41Å; Q322-K366 WeakPolarHBondContact CG-O 2.85Å; Q322-K366 PolarHBondContact NE2-O 3.4Å; Q322-C367 HydrophobicContact CG-CB 4.23Å; Q322-C367 PolarHBondContact O-SG 2.9Å |
| 323 | S | 91.9 | Very high | 96 | Very high | 94 Ų | 94 | 47 Ų | 47 | 66% | 0.657 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -5.9 | -173.5 | -56.7 | 0 | 0 | 0 | 0 | 114.2 | E319 G320 Y321 | E319-S323 PolarHBondContact O-N 3.08Å; E319-S323 VanDerWaalsContact O-N 3.14Å; E319-S323 PolarHBondContact O-OG 3.49Å; G320-S323 PolarHBondContact O-N 2.95Å; Y321-S323 PolarHBondContact O-N 3.32Å |
| 324 | A | 92.6 | Very high | 96 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -77.8 | 152.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | G320 Y321 Q322 H326 S369 | G320-A324 PolarHBondContact O-N 2.9Å; Y321-A324 PolarHBondContact O-N 2.89Å; Q322-A324 PolarHBondContact O-N 2.89Å; A324-H326 PolarHBondContact O-CD2 2.92Å; A324-H326 PolarHBondContact O-N 3.29Å; A324-S369 PolarHBondContact O-OG 3.45Å |
| 325 | D | 87.8 | Confident | 96.1 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | trans | -83 | 101.5 | 174.9 | -164.1 | -11.1 | 0 | 0 | 0 | 111.8 | K327 | D325-K327 WeakPolarHBondContact OD1-CB 3.35Å; D325-K327 WeakPolarHBondContact OD1-CD 3.38Å; D325-K327 WeakPolarHBondContact OD1-CG 3.33Å; D325-K327 PolarHBondContact OD1-N 2.94Å; D325-K327 IonicContact OD1-NZ 3.26Å; D325-K327 WeakPolarHBondContact OD2-CD 3.27Å; D325-K327 WeakPolarHBondContact OD2-CE 3.45Å; D325-K327 IonicContact OD2-NZ 3.6Å; D325-K327 PolarHBondContact OD2-NZ 2.94Å | ||
| 326 | H | 94.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -88.7 | 8.1 | 175 | -58.2 | -85.5 | 0 | 0 | 0 | 114.1 | Y257 Y321 A324 N328 K329 F332 S369 L370 K373 | Y257-H326 AromaticContact CD2-CE1 3.66Å; Y257-H326 AromaticContact CD2-ND1 3.7Å; Y321-H326 PolarHBondContact O-NE2 3.43Å; A324-H326 PolarHBondContact O-CD2 2.92Å; A324-H326 PolarHBondContact O-N 3.29Å; H326-N328 VanDerWaalsContact C-N 3.28Å; H326-N328 PolarHBondContact O-N 3.39Å; H326-K329 HydrophobicContact CB-CB 4.31Å; H326-K329 WeakPolarHBondContact O-CA 3.27Å; H326-K329 WeakPolarHBondContact O-CB 3.34Å; H326-K329 PolarHBondContact O-N 3.16Å; H326-F332 AromaticContact CE1-CD2 3.98Å; H326-S369 PolarHBondContact CD2-OG 2.72Å; H326-S369 PolarHBondContact N-OG 2.97Å; H326-L370 HydrophobicContact CB-CD2 3.48Å; H326-L370 VanDerWaalsContact CB-CD2 3.48Å; H326-L370 HydrophobicContact CB-CG 3.7Å; H326-K373 PolarHBondContact O-NZ 3.44Å | ||
| 327 | K | 90.8 | Very high | 96.1 | Very high | 139 Ų | 139 | 36 Ų | 36 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -45 | -177.2 | -79.3 | 167.2 | -153.7 | 140.8 | 0 | 113.2 | D325 K329 K373 | D325-K327 WeakPolarHBondContact OD1-CB 3.35Å; D325-K327 WeakPolarHBondContact OD1-CD 3.38Å; D325-K327 WeakPolarHBondContact OD1-CG 3.33Å; D325-K327 PolarHBondContact OD1-N 2.94Å; D325-K327 IonicContact OD1-NZ 3.26Å; D325-K327 WeakPolarHBondContact OD2-CD 3.27Å; D325-K327 WeakPolarHBondContact OD2-CE 3.45Å; D325-K327 IonicContact OD2-NZ 3.6Å; D325-K327 PolarHBondContact OD2-NZ 2.94Å; K327-K329 VanDerWaalsContact C-N 3.28Å; K327-K329 PolarHBondContact O-N 2.77Å; K327-K373 PolarHBondContact O-NZ 3.44Å |
| 328 | N | 93.8 | Very high | 95.9 | Very high | 134 Ų | 134 | 35 Ų | 35 | 72% | 0.717 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 8.4 | 179.5 | -61.3 | -25.9 | 0 | 0 | 0 | 113.7 | N252 H326 | N252-N328 WeakPolarHBondContact CB-O 3.48Å; N252-N328 VanDerWaalsContact CG-O 3.26Å; N252-N328 PolarHBondContact ND2-O 3Å; H326-N328 VanDerWaalsContact C-N 3.28Å; H326-N328 PolarHBondContact O-N 3.39Å |
| 329 | K | 96.9 | Very high | 95.5 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | trans | -105.1 | 148.3 | 169.4 | -55.3 | -54.9 | -178.3 | 90.1 | 0 | 108.8 | P254 Y257 E302 H326 K327 K373 | P254-K329 HydrophobicContact CG-CD 4.22Å; Y257-K329 VanDerWaalsContact CE2-NZ 3.26Å; Y257-K329 VanDerWaalsContact CZ-NZ 3.29Å; E302-K329 IonicContact OE2-NZ 2.68Å; E302-K329 PolarHBondContact OE2-NZ 3.38Å; H326-K329 HydrophobicContact CB-CB 4.31Å; H326-K329 WeakPolarHBondContact O-CA 3.27Å; H326-K329 WeakPolarHBondContact O-CB 3.34Å; H326-K329 PolarHBondContact O-N 3.16Å; K327-K329 VanDerWaalsContact C-N 3.28Å; K327-K329 PolarHBondContact O-N 2.77Å; K329-K373 WeakPolarHBondContact O-CD 3.45Å; K329-K373 WeakPolarHBondContact O-CE 3.11Å; K329-K373 PolarHBondContact O-NZ 3.14Å | ||
| 330 | D | 97 | Very high | 94.8 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -98.7 | -21.3 | 176.2 | -75.3 | -27.7 | 0 | 0 | 0 | 113.2 | Q249 M250 K251 N252 R255 P374 | Q249-D330 PolarHBondContact NE2-OD1 2.97Å; Q249-D330 WeakPolarHBondContact O-CB 3.48Å; M250-D330 WeakPolarHBondContact CA-OD2 3.29Å; M250-D330 HydrophobicContact SD-CB 4.13Å; K251-D330 PolarHBondContact N-OD2 3.17Å; N252-D330 WeakPolarHBondContact CB-OD2 3.34Å; N252-D330 PolarHBondContact N-OD2 2.91Å; N252-D330 VanDerWaalsContact ND2-CG 3.32Å; N252-D330 PolarHBondContact ND2-OD1 3.44Å; N252-D330 PolarHBondContact ND2-OD2 2.79Å; R255-D330 PolarHBondContact O-N 3.46Å; D330-P374 WeakPolarHBondContact O-CD 3.24Å |
| 331 | C | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 157.6 | -173.7 | -176.5 | 0 | 0 | 0 | 0 | 111 | M250 R255 G256 F301 P374 | M250-C331 HydrophobicContact CE-CB 3.88Å; M250-C331 HydrophobicContact SD-CB 4.01Å; R255-C331 PolarHBondContact O-N 2.89Å; R255-C331 VanDerWaalsContact O-N 3.08Å; G256-C331 WeakPolarHBondContact CA-O 3.5Å; F301-C331 HydrophobicContact CE1-CB 3.82Å; F301-C331 HydrophobicContact CZ-CB 3.98Å; C331-P374 WeakPolarHBondContact CA-O 3.49Å; C331-P374 HydrophobicContact CB-CG 3.92Å; C331-P374 PolarHBondContact SG-O 2.87Å; C331-P374 VanDerWaalsContact SG-O 3.41Å |
| 332 | F | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.4 | 167.6 | 174.8 | -98.5 | 0 | 0 | 0 | 109.8 | L259 H326 C334 F362 L370 P374 I376 F377 | L259-F332 HydrophobicContact CD1-CE2 3.86Å; L259-F332 HydrophobicContact CD1-CZ 3.65Å; L259-F332 HydrophobicContact CG-CE2 3.95Å; L259-F332 HydrophobicContact CG-CZ 4.03Å; H326-F332 AromaticContact CE1-CD2 3.98Å; F332-C334 HydrophobicContact CE1-CB 3.84Å; F332-C334 HydrophobicContact CZ-CB 4.08Å; F332-F362 HydrophobicContact CD1-CD1 4.13Å; F332-F362 HydrophobicContact CD1-CE1 4.28Å; F332-F362 HydrophobicContact CD1-CG 4.36Å; F332-F362 HydrophobicContact CD2-CE1 4.39Å; F332-F362 AromaticContact CE1-CD1 3.92Å; F332-F362 HydrophobicContact CE1-CD1 3.92Å; F332-F362 HydrophobicContact CE1-CD2 4.08Å; F332-F362 AromaticContact CE1-CE1 3.73Å; F332-F362 HydrophobicContact CE1-CE1 3.73Å; F332-F362 AromaticContact CE1-CE2 3.89Å; F332-F362 HydrophobicContact CE1-CE2 3.89Å; F332-F362 HydrophobicContact CE1-CG 4.09Å; F332-F362 AromaticContact CE1-CZ 3.71Å; F332-F362 HydrophobicContact CE1-CZ 3.71Å; F332-F362 AromaticContact CE2-CE1 3.86Å; F332-F362 HydrophobicContact CE2-CE1 3.86Å; F332-F362 HydrophobicContact CE2-CZ 4.14Å; F332-F362 HydrophobicContact CZ-CD1 4.14Å; F332-F362 AromaticContact CZ-CE1 3.48Å; F332-F362 HydrophobicContact CZ-CE1 3.48Å; F332-F362 VanDerWaalsContact CZ-CE1 3.48Å; F332-F362 AromaticContact CZ-CE2 3.99Å; F332-F362 HydrophobicContact CZ-CE2 3.99Å; F332-F362 AromaticContact CZ-CZ 3.39Å; F332-F362 HydrophobicContact CZ-CZ 3.39Å; F332-L370 HydrophobicContact CB-CD1 3.66Å; F332-L370 HydrophobicContact CB-CD2 3.91Å; F332-L370 HydrophobicContact CB-CG 4.47Å; F332-L370 HydrophobicContact CD2-CD1 4.42Å; F332-L370 HydrophobicContact CG-CD1 3.96Å; F332-P374 PolarHBondContact N-O 3.37Å; F332-I376 PolarHBondContact O-N 3.44Å; F332-F377 HydrophobicContact CE1-CE2 4.42Å; F332-F377 AromaticContact CE1-CZ 3.95Å; F332-F377 HydrophobicContact CE1-CZ 3.95Å |
| 333 | I | 98.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.3 | 177 | -54.3 | -172.5 | 0 | 0 | 0 | 109.4 | Y257 C258 L259 F296 F301 I376 F378 | Y257-I333 PolarHBondContact O-N 2.94Å; C258-I333 CarbonylContact C-O 3.59Å; C258-I333 WeakPolarHBondContact CA-O 3.48Å; C258-I333 HydrophobicContact CB-CB 4.2Å; L259-I333 PolarHBondContact N-O 2.9Å; F296-I333 HydrophobicContact CD1-CD1 3.65Å; F296-I333 HydrophobicContact CE1-CD1 3.46Å; F296-I333 VanDerWaalsContact CE1-CD1 3.46Å; F296-I333 HydrophobicContact CZ-CD1 4.16Å; F296-I333 HydrophobicContact CZ-CG2 4.46Å; F301-I333 HydrophobicContact CD1-CD1 3.94Å; F301-I333 HydrophobicContact CD1-CG1 4.13Å; F301-I333 HydrophobicContact CD2-CD1 4.35Å; F301-I333 HydrophobicContact CE1-CD1 3.49Å; F301-I333 VanDerWaalsContact CE1-CD1 3.49Å; F301-I333 HydrophobicContact CE1-CG1 3.66Å; F301-I333 HydrophobicContact CE2-CD1 3.95Å; F301-I333 HydrophobicContact CG-CD1 4.36Å; F301-I333 HydrophobicContact CZ-CD1 3.5Å; F301-I333 HydrophobicContact CZ-CG1 4.12Å; I333-I376 CarbonylContact C-O 3.57Å; I333-I376 WeakPolarHBondContact CA-O 3.23Å; I333-I376 HydrophobicContact CD1-CD1 4.23Å; I333-I376 HydrophobicContact CG1-CB 4.18Å; I333-I376 HydrophobicContact CG1-CD1 4.12Å; I333-I376 HydrophobicContact CG1-CG1 4.43Å; I333-F378 HydrophobicContact CG2-CD2 4.02Å; I333-F378 HydrophobicContact CG2-CE2 4.13Å |
| 334 | C | 98.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.6 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 110 | L259 F332 I376 F377 F378 | L259-C334 HydrophobicContact CB-CB 4.46Å; F332-C334 HydrophobicContact CE1-CB 3.84Å; F332-C334 HydrophobicContact CZ-CB 4.08Å; C334-I376 PolarHBondContact N-O 3.19Å; C334-F377 HydrophobicContact CB-CD1 3.72Å; C334-F377 HydrophobicContact CB-CE1 3.62Å; C334-F377 HydrophobicContact CB-CG 4.46Å; C334-F377 HydrophobicContact CB-CZ 4.28Å; C334-F377 CarbonylContact O-C 3.57Å; C334-F377 VanDerWaalsContact O-CA 3.27Å; C334-F377 WeakPolarHBondContact O-CA 3.31Å; C334-F378 PolarHBondContact O-N 3.12Å |
| 335 | C | 98.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.9 | 177 | -60.4 | 0 | 0 | 0 | 0 | 108.6 | L259 I260 I261 L292 F378 | L259-C335 PolarHBondContact O-N 2.86Å; I260-C335 WeakPolarHBondContact CA-O 3.31Å; I260-C335 HydrophobicContact CG1-CB 4.25Å; I261-C335 PolarHBondContact N-O 3.38Å; L292-C335 HydrophobicContact CD1-CB 3.93Å; C335-F378 WeakPolarHBondContact CA-O 3.41Å |
| 336 | I | 98.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114.2 | 178.3 | -54.8 | -176.3 | 0 | 0 | 0 | 109.2 | I261 V345 L358 F378 I379 Q380 | I261-I336 HydrophobicContact CD1-CG1 4.44Å; I336-V345 HydrophobicContact CG2-CB 4.37Å; I336-V345 HydrophobicContact CG2-CG1 4.22Å; I336-V345 HydrophobicContact CG2-CG2 4.25Å; I336-L358 HydrophobicContact CD1-CD1 3.8Å; I336-F378 PolarHBondContact N-O 3.13Å; I336-I379 HydrophobicContact CB-CD1 3.89Å; I336-I379 HydrophobicContact CD1-CD1 3.91Å; I336-I379 HydrophobicContact CG1-CD1 3.96Å; I336-Q380 PolarHBondContact O-N 3.27Å |
| 337 | L | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 94.6 | 179 | -47.8 | -178.9 | 0 | 0 | 0 | 108.3 | I260 I261 N263 R282 D288 K289 L292 Q380 I444 | I260-L337 HydrophobicContact CG2-CD1 4.31Å; I261-L337 PolarHBondContact O-N 3.44Å; N263-L337 PolarHBondContact N-O 3.3Å; R282-L337 PolarHBondContact NH1-O 2.89Å; D288-L337 HydrophobicContact CB-CD1 3.84Å; K289-L337 HydrophobicContact CB-CD1 4.27Å; L292-L337 HydrophobicContact CD1-CD1 4.14Å; L292-L337 HydrophobicContact CD1-CD2 3.95Å; L292-L337 HydrophobicContact CD1-CG 4.4Å; L337-Q380 HydrophobicContact CD2-CB 3.74Å; L337-Q380 HydrophobicContact CD2-CG 4.21Å; L337-I444 HydrophobicContact CD2-CD1 4.07Å; L337-I444 HydrophobicContact CD2-CG1 3.93Å |
| 338 | S | 94.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -145.3 | -176.5 | -178.1 | -161.8 | 0 | 0 | 0 | 0 | 112.9 | F266 R282 Y346 Q380 | F266-S338 WeakPolarHBondContact CZ-OG 3.46Å; R282-S338 PolarHBondContact NE-O 3.22Å; S338-Y346 PolarHBondContact OG-O 3.27Å; S338-Q380 PolarHBondContact N-O 3.35Å; S338-Q380 VanDerWaalsContact O-O 3.05Å |
| 339 | H | 88.5 | Confident | 91.9 | Very high | 35 Ų | 35 | 16.9 Ų | 16.9 | 16% | 0.162 | 9% | 0.092 | C | C | . | . | trans | -76.7 | 165.4 | 155.5 | -69.5 | -65 | 0 | 0 | 0 | 108.9 | F266 M279 K280 R282 V345 Y346 | F266-H339 AromaticContact CD1-CD2 3.99Å; F266-H339 AromaticContact CD2-CD2 3.68Å; F266-H339 AromaticContact CD2-NE2 3.97Å; F266-H339 HydrophobicContact CE1-CB 4.5Å; F266-H339 AromaticContact CE1-CD2 3.81Å; F266-H339 AromaticContact CE2-CD2 3.53Å; F266-H339 AromaticContact CG-CD2 3.92Å; F266-H339 HydrophobicContact CZ-CB 4.48Å; F266-H339 AromaticContact CZ-CD2 3.58Å; M279-H339 HydrophobicContact CE-CB 3.76Å; M279-H339 VanDerWaalsContact CG-CD2 3.5Å; M279-H339 WeakPolarHBondContact CG-CD2 3.46Å; M279-H339 HydrophobicContact SD-CB 4.43Å; M279-H339 VanDerWaalsContact SD-CD2 3.58Å; K280-H339 PolarHBondContact O-CE1 3.32Å; K280-H339 PolarHBondContact O-NE2 2.94Å; R282-H339 WeakPolarHBondContact CG-NE2 3.5Å; H339-V345 WeakPolarHBondContact O-CA 3.46Å; H339-Y346 HydrophobicContact CB-CD2 4Å; H339-Y346 PolarHBondContact O-N 3.44Å | ||
| 340 | G | 84 | Confident | 91.6 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 11% | 0.113 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 170.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | V344 C382 | G340-V344 VanDerWaalsContact CA-O 3.23Å; G340-V344 WeakPolarHBondContact CA-O 3.31Å; G340-C382 CarbonylContact C-O 3.51Å; G340-C382 WeakPolarHBondContact CA-O 3.31Å |
| 341 | D | 74.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 22 Ų | 22 | 36% | 0.358 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | -174.8 | 166.9 | -150.7 | -33.6 | 0 | 0 | 0 | 107.7 | G343 V344 Y346 C382 Q383 G384 | D341-G343 PolarHBondContact O-N 3.36Å; D341-V344 HydrophobicContact CB-CG2 3.91Å; D341-V344 PolarHBondContact N-O 3.47Å; D341-V344 PolarHBondContact O-N 2.76Å; D341-Y346 HydrophobicContact CB-CE2 4.31Å; D341-C382 PolarHBondContact N-O 2.92Å; D341-Q383 PolarHBondContact O-NE2 2.91Å; D341-G384 WeakPolarHBondContact OD1-CA 3.37Å |
| 342 | K | 73.5 | Confident | 91 | Very high | 121 Ų | 121 | 27.5 Ų | 27.5 | 53% | 0.526 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 103.7 | -173.7 | -176.1 | -166.6 | 167.4 | -144.9 | 0 | 112.9 | Q383 | K342-Q383 WeakPolarHBondContact CA-O 3.47Å; K342-Q383 WeakPolarHBondContact CB-O 3.15Å; K342-Q383 PolarHBondContact N-O 3.03Å |
| 343 | G | 73.9 | Confident | 90.5 | Very high | 33 Ų | 33 | 27.5 Ų | 27.5 | 34% | 0.34 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -1.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D341 I355 | D341-G343 PolarHBondContact O-N 3.36Å; G343-I355 WeakPolarHBondContact O-CG1 3.42Å; G343-I355 PolarHBondContact O-N 2.91Å |
| 344 | V | 84.4 | Confident | 90 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 12% | 0.115 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 154.1 | -173.2 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | G340 D341 E352 A353 | G340-V344 VanDerWaalsContact CA-O 3.23Å; G340-V344 WeakPolarHBondContact CA-O 3.31Å; D341-V344 HydrophobicContact CB-CG2 3.91Å; D341-V344 PolarHBondContact N-O 3.47Å; D341-V344 PolarHBondContact O-N 2.76Å; V344-E352 HydrophobicContact CB-CB 4.07Å; V344-E352 HydrophobicContact CB-CG 4.33Å; V344-E352 HydrophobicContact CG1-CB 4.17Å; V344-E352 HydrophobicContact CG2-CB 4.27Å; V344-E352 HydrophobicContact CG2-CG 3.96Å; V344-A353 WeakPolarHBondContact CA-O 3.32Å |
| 345 | V | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 150.1 | 164.2 | -64.4 | 0 | 0 | 0 | 0 | 109.2 | I336 H339 A353 I355 L358 I379 A381 | I336-V345 HydrophobicContact CG2-CB 4.37Å; I336-V345 HydrophobicContact CG2-CG1 4.22Å; I336-V345 HydrophobicContact CG2-CG2 4.25Å; H339-V345 WeakPolarHBondContact O-CA 3.46Å; V345-A353 HydrophobicContact CG2-CB 4.12Å; V345-A353 PolarHBondContact N-O 3.16Å; V345-A353 PolarHBondContact O-N 2.94Å; V345-I355 HydrophobicContact CG1-CD1 4.25Å; V345-I355 HydrophobicContact CG1-CG1 4.07Å; V345-L358 HydrophobicContact CG2-CD1 3.67Å; V345-I379 HydrophobicContact CG1-CG2 3.79Å; V345-A381 HydrophobicContact CG1-CB 3.94Å |
| 346 | Y | 92.1 | Very high | 88.5 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139 | 177.8 | -75.9 | -77.7 | 0 | 0 | 0 | 111.8 | N263 L276 M279 S338 H339 D341 G350 K351 E352 | N263-Y346 PolarHBondContact ND2-O 3.18Å; L276-Y346 HydrophobicContact CD1-CD1 4.29Å; L276-Y346 HydrophobicContact CD1-CE1 3.99Å; M279-Y346 HydrophobicContact CE-CD2 3.85Å; M279-Y346 HydrophobicContact CE-CE2 4.19Å; M279-Y346 HydrophobicContact CE-CG 4.05Å; S338-Y346 PolarHBondContact OG-O 3.27Å; H339-Y346 HydrophobicContact CB-CD2 4Å; H339-Y346 PolarHBondContact O-N 3.44Å; D341-Y346 HydrophobicContact CB-CE2 4.31Å; Y346-G350 VanDerWaalsContact CD1-O 3.25Å; Y346-G350 WeakPolarHBondContact CD1-O 3.38Å; Y346-G350 WeakPolarHBondContact CE1-O 3.23Å; Y346-K351 WeakPolarHBondContact CA-O 3.43Å; Y346-E352 HydrophobicContact CD1-CG 4.08Å; Y346-E352 HydrophobicContact CE1-CG 3.55Å; Y346-E352 PolarHBondContact OH-OE1 3.09Å |
| 347 | G | 97 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -71.9 | 167 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F266 C309 D349 G350 K351 | F266-G347 WeakPolarHBondContact CE1-O 3.44Å; C309-G347 WeakPolarHBondContact O-CA 3.47Å; G347-D349 PolarHBondContact O-N 3.09Å; G347-G350 WeakPolarHBondContact O-CA 3.42Å; G347-G350 PolarHBondContact O-N 3.45Å; G347-K351 PolarHBondContact N-O 2.87Å | ||
| 348 | T | 97.3 | Very high | 87.5 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20 | 173.2 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | N263 D265 A269 D308 C309 T310 G350 | N263-T348 HydrophobicContact CB-CG2 3.94Å; D265-T348 VanDerWaalsContact O-CB 3.3Å; D265-T348 WeakPolarHBondContact O-CB 3.26Å; D265-T348 WeakPolarHBondContact O-CG2 3.43Å; A269-T348 PolarHBondContact N-O 3.17Å; A269-T348 VanDerWaalsContact N-O 3.15Å; D308-T348 VanDerWaalsContact CA-CG2 3.49Å; D308-T348 HydrophobicContact CB-CG2 3.94Å; D308-T348 VanDerWaalsContact O-CG2 3.27Å; D308-T348 WeakPolarHBondContact O-CG2 3.46Å; D308-T348 PolarHBondContact O-OG1 3.44Å; C309-T348 PolarHBondContact O-N 2.67Å; C309-T348 PolarHBondContact O-OG1 2.85Å; T310-T348 PolarHBondContact N-OG1 2.86Å; T348-G350 PolarHBondContact O-N 3.46Å |
| 349 | D | 96 | Very high | 87.1 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -2.2 | 166.7 | 64.9 | -28 | 0 | 0 | 0 | 113.6 | I273 T310 A311 G347 K351 | I273-D349 WeakPolarHBondContact CD1-O 3.46Å; T310-D349 WeakPolarHBondContact CA-OD1 3.36Å; T310-D349 WeakPolarHBondContact CB-OD1 3.42Å; T310-D349 HydrophobicContact CG2-CB 3.82Å; A311-D349 PolarHBondContact N-OD1 2.64Å; G347-D349 PolarHBondContact O-N 3.09Å; D349-K351 PolarHBondContact O-N 2.76Å; D349-K351 VanDerWaalsContact OD2-CD 3.23Å; D349-K351 WeakPolarHBondContact OD2-CD 3.47Å; D349-K351 VanDerWaalsContact OD2-CE 3.29Å; D349-K351 WeakPolarHBondContact OD2-CE 3.43Å; D349-K351 WeakPolarHBondContact OD2-CG 3.49Å; D349-K351 IonicContact OD2-NZ 3.63Å; D349-K351 PolarHBondContact OD2-NZ 2.8Å |
| 350 | G | 91.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 73.5 | 10.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | A269 I273 L276 Y346 G347 T348 | A269-G350 VanDerWaalsContact CB-CA 3.46Å; I273-G350 VanDerWaalsContact CD1-O 3.27Å; I273-G350 WeakPolarHBondContact CD1-O 3.43Å; L276-G350 VanDerWaalsContact CD1-O 3.32Å; L276-G350 WeakPolarHBondContact CD1-O 3.37Å; Y346-G350 VanDerWaalsContact CD1-O 3.25Å; Y346-G350 WeakPolarHBondContact CD1-O 3.38Å; Y346-G350 WeakPolarHBondContact CE1-O 3.23Å; G347-G350 WeakPolarHBondContact O-CA 3.42Å; G347-G350 PolarHBondContact O-N 3.45Å; T348-G350 PolarHBondContact O-N 3.46Å |
| 351 | K | 93.1 | Very high | 87.5 | Confident | 125 Ų | 125 | 41 Ų | 41 | 54% | 0.543 | 20% | 0.204 | S | C | . | . | trans | -79.9 | 149.7 | 168.9 | -64.4 | -174 | -159.2 | 122.6 | 0 | 110.5 | A311 Y346 G347 D349 | A311-K351 HydrophobicContact CB-CB 3.78Å; Y346-K351 WeakPolarHBondContact CA-O 3.43Å; G347-K351 PolarHBondContact N-O 2.87Å; D349-K351 PolarHBondContact O-N 2.76Å; D349-K351 VanDerWaalsContact OD2-CD 3.23Å; D349-K351 WeakPolarHBondContact OD2-CD 3.47Å; D349-K351 VanDerWaalsContact OD2-CE 3.29Å; D349-K351 WeakPolarHBondContact OD2-CE 3.43Å; D349-K351 WeakPolarHBondContact OD2-CG 3.49Å; D349-K351 IonicContact OD2-NZ 3.63Å; D349-K351 PolarHBondContact OD2-NZ 2.8Å | ||
| 352 | E | 89.5 | Confident | 88.4 | Confident | 116 Ų | 116 | 37.8 Ų | 37.8 | 54% | 0.542 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.2 | 177.1 | -64.6 | 179.6 | -179.6 | 0 | 0 | 110.8 | V344 Y346 | V344-E352 HydrophobicContact CB-CB 4.07Å; V344-E352 HydrophobicContact CB-CG 4.33Å; V344-E352 HydrophobicContact CG1-CB 4.17Å; V344-E352 HydrophobicContact CG2-CB 4.27Å; V344-E352 HydrophobicContact CG2-CG 3.96Å; Y346-E352 HydrophobicContact CD1-CG 4.08Å; Y346-E352 HydrophobicContact CE1-CG 3.55Å; Y346-E352 PolarHBondContact OH-OE1 3.09Å |
| 353 | A | 88.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | A311 V344 V345 I355 L358 | A311-A353 HydrophobicContact CB-CB 4.43Å; V344-A353 WeakPolarHBondContact CA-O 3.32Å; V345-A353 HydrophobicContact CG2-CB 4.12Å; V345-A353 PolarHBondContact N-O 3.16Å; V345-A353 PolarHBondContact O-N 2.94Å; A353-I355 PolarHBondContact O-N 2.77Å; A353-L358 HydrophobicContact CB-CD1 4Å; A353-L358 HydrophobicContact CB-CD2 4.28Å; A353-L358 HydrophobicContact CB-CG 4.29Å |
| 354 | S | 87.7 | Confident | 89.1 | Confident | 33 Ų | 33 | 31.6 Ų | 31.6 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.6 | 179.9 | 161.1 | 0 | 0 | 0 | 0 | 110.5 | Y356 D357 L358 | S354-Y356 PolarHBondContact O-N 3.44Å; S354-Y356 PolarHBondContact OG-N 3.2Å; S354-D357 VanDerWaalsContact CB-OD1 3.23Å; S354-D357 WeakPolarHBondContact CB-OD1 3.34Å; S354-D357 WeakPolarHBondContact CB-OD2 3.39Å; S354-D357 PolarHBondContact O-N 2.9Å; S354-D357 VanDerWaalsContact O-N 3.13Å; S354-D357 VanDerWaalsContact OG-CG 3.24Å; S354-D357 PolarHBondContact OG-N 3.1Å; S354-D357 PolarHBondContact OG-OD1 2.98Å; S354-L358 WeakPolarHBondContact O-CG 3.45Å; S354-L358 PolarHBondContact O-N 3Å |
| 355 | I | 85.7 | Confident | 88.9 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -35.7 | 179 | -64.4 | 168.7 | 0 | 0 | 0 | 110.4 | G343 V345 A353 T359 I379 L423 M425 | G343-I355 WeakPolarHBondContact O-CG1 3.42Å; G343-I355 PolarHBondContact O-N 2.91Å; V345-I355 HydrophobicContact CG1-CD1 4.25Å; V345-I355 HydrophobicContact CG1-CG1 4.07Å; A353-I355 PolarHBondContact O-N 2.77Å; I355-T359 HydrophobicContact CG2-CG2 4.49Å; I355-T359 WeakPolarHBondContact O-CG2 3.08Å; I355-T359 PolarHBondContact O-N 3.24Å; I355-T359 PolarHBondContact O-OG1 3.08Å; I355-T359 VanDerWaalsContact O-OG1 3.09Å; I355-I379 HydrophobicContact CD1-CG2 4.05Å; I355-I379 HydrophobicContact CG2-CG1 4.44Å; I355-L423 HydrophobicContact CG2-CD1 4.21Å; I355-L423 HydrophobicContact CG2-CD2 4.31Å; I355-M425 HydrophobicContact CD1-CE 3.78Å; I355-M425 HydrophobicContact CD1-SD 4.4Å |
| 356 | Y | 80.1 | Confident | 88.7 | Confident | 139 Ų | 139 | 38.8 Ų | 38.8 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.2 | -51.7 | 175 | 178.4 | -104.4 | 0 | 0 | 0 | 110.9 | S354 L358 T359 S360 E418 | S354-Y356 PolarHBondContact O-N 3.44Å; S354-Y356 PolarHBondContact OG-N 3.2Å; Y356-L358 VanDerWaalsContact C-N 3.34Å; Y356-L358 PolarHBondContact O-N 3.36Å; Y356-T359 PolarHBondContact O-N 2.73Å; Y356-T359 VanDerWaalsContact O-N 3.13Å; Y356-T359 PolarHBondContact O-OG1 2.86Å; Y356-S360 WeakPolarHBondContact O-CB 3.34Å; Y356-S360 PolarHBondContact O-N 2.96Å; Y356-E418 PolarHBondContact OH-OE1 2.71Å |
| 357 | D | 83.3 | Confident | 88.6 | Confident | 70 Ų | 70 | 37.6 Ų | 37.6 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.3 | -45.6 | -177.7 | -55.5 | 16.7 | 0 | 0 | 0 | 110.5 | S354 T359 S360 Y361 | S354-D357 VanDerWaalsContact CB-OD1 3.23Å; S354-D357 WeakPolarHBondContact CB-OD1 3.34Å; S354-D357 WeakPolarHBondContact CB-OD2 3.39Å; S354-D357 PolarHBondContact O-N 2.9Å; S354-D357 VanDerWaalsContact O-N 3.13Å; S354-D357 VanDerWaalsContact OG-CG 3.24Å; S354-D357 PolarHBondContact OG-N 3.1Å; S354-D357 PolarHBondContact OG-OD1 2.98Å; D357-T359 PolarHBondContact O-N 3.17Å; D357-S360 WeakPolarHBondContact O-CB 3.5Å; D357-S360 PolarHBondContact O-N 3.39Å; D357-S360 VanDerWaalsContact O-N 3.1Å; D357-S360 PolarHBondContact O-OG 3.25Å; D357-Y361 WeakPolarHBondContact O-CD2 3.25Å; D357-Y361 WeakPolarHBondContact O-CE2 3.29Å |
| 358 | L | 91.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 176 | -63.9 | -176.9 | 0 | 0 | 0 | 112.6 | I314 L318 I336 V345 A353 S354 Y356 S360 | I314-L358 HydrophobicContact CG2-CD1 4.02Å; I314-L358 HydrophobicContact CG2-CD2 3.69Å; L318-L358 HydrophobicContact CD1-CB 3.74Å; L318-L358 HydrophobicContact CD1-CD2 3.73Å; L318-L358 HydrophobicContact CD1-CG 4.24Å; L318-L358 WeakPolarHBondContact CD1-O 3.38Å; I336-L358 HydrophobicContact CD1-CD1 3.8Å; V345-L358 HydrophobicContact CG2-CD1 3.67Å; A353-L358 HydrophobicContact CB-CD1 4Å; A353-L358 HydrophobicContact CB-CD2 4.28Å; A353-L358 HydrophobicContact CB-CG 4.29Å; S354-L358 WeakPolarHBondContact O-CG 3.45Å; S354-L358 PolarHBondContact O-N 3Å; Y356-L358 VanDerWaalsContact C-N 3.34Å; Y356-L358 PolarHBondContact O-N 3.36Å; L358-S360 VanDerWaalsContact C-N 3.34Å |
| 359 | T | 87.4 | Confident | 88 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.6 | -31.1 | 173.4 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | I355 Y356 D357 Y361 F362 F377 F421 | I355-T359 HydrophobicContact CG2-CG2 4.49Å; I355-T359 WeakPolarHBondContact O-CG2 3.08Å; I355-T359 PolarHBondContact O-N 3.24Å; I355-T359 PolarHBondContact O-OG1 3.08Å; I355-T359 VanDerWaalsContact O-OG1 3.09Å; Y356-T359 PolarHBondContact O-N 2.73Å; Y356-T359 VanDerWaalsContact O-N 3.13Å; Y356-T359 PolarHBondContact O-OG1 2.86Å; D357-T359 PolarHBondContact O-N 3.17Å; T359-Y361 PolarHBondContact O-N 2.64Å; T359-F362 PolarHBondContact O-N 2.88Å; T359-F377 HydrophobicContact CG2-CB 4.4Å; T359-F377 HydrophobicContact CG2-CD1 3.9Å; T359-F377 HydrophobicContact CG2-CD2 3.86Å; T359-F377 HydrophobicContact CG2-CE1 4.1Å; T359-F377 HydrophobicContact CG2-CE2 4.09Å; T359-F377 HydrophobicContact CG2-CG 3.77Å; T359-F377 HydrophobicContact CG2-CZ 4.2Å; T359-F421 WeakPolarHBondContact O-CE1 3.27Å |
| 360 | S | 88.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 12% | 0.119 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -27.9 | -173.3 | 85.4 | 0 | 0 | 0 | 0 | 113.1 | Y356 D357 L358 F362 T363 K366 | Y356-S360 WeakPolarHBondContact O-CB 3.34Å; Y356-S360 PolarHBondContact O-N 2.96Å; D357-S360 WeakPolarHBondContact O-CB 3.5Å; D357-S360 PolarHBondContact O-N 3.39Å; D357-S360 VanDerWaalsContact O-N 3.1Å; D357-S360 PolarHBondContact O-OG 3.25Å; L358-S360 VanDerWaalsContact C-N 3.34Å; S360-F362 PolarHBondContact O-N 3.39Å; S360-T363 WeakPolarHBondContact O-CG2 3.27Å; S360-T363 PolarHBondContact O-N 2.78Å; S360-T363 PolarHBondContact O-OG1 3.27Å; S360-K366 WeakPolarHBondContact O-CD 3.3Å; S360-K366 PolarHBondContact OG-NZ 3.31Å |
| 361 | Y | 91.9 | Very high | 87.8 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -23.4 | 176.1 | -75.8 | -84 | 0 | 0 | 0 | 113.4 | H315 L318 E319 Q322 D357 T359 K366 | H315-Y361 AromaticContact ND1-CE2 3.45Å; H315-Y361 WeakPolarHBondContact ND1-CE2 3.46Å; H315-Y361 AromaticContact ND1-CZ 3.59Å; H315-Y361 PolarHBondContact ND1-OH 2.76Å; L318-Y361 HydrophobicContact CB-CD2 4.13Å; L318-Y361 HydrophobicContact CB-CG 4.22Å; L318-Y361 HydrophobicContact CD1-CD2 4.47Å; E319-Y361 HydrophobicContact CB-CD1 4.17Å; E319-Y361 HydrophobicContact CB-CE1 3.78Å; E319-Y361 HydrophobicContact CG-CE1 4.28Å; Q322-Y361 VanDerWaalsContact CG-O 3.25Å; Q322-Y361 WeakPolarHBondContact CG-O 3.3Å; D357-Y361 WeakPolarHBondContact O-CD2 3.25Å; D357-Y361 WeakPolarHBondContact O-CE2 3.29Å; T359-Y361 PolarHBondContact O-N 2.64Å; Y361-K366 WeakPolarHBondContact O-CB 3.35Å |
| 362 | F | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 16.9 | -173.2 | -56 | -87 | 0 | 0 | 0 | 113.9 | L318 F332 T359 S360 C367 L370 K375 F377 F421 | L318-F362 HydrophobicContact CB-CE2 4.02Å; L318-F362 HydrophobicContact CB-CZ 4.21Å; L318-F362 HydrophobicContact CD1-CE2 4.31Å; L318-F362 HydrophobicContact CD2-CE2 4.02Å; L318-F362 HydrophobicContact CD2-CZ 4.13Å; L318-F362 HydrophobicContact CG-CE2 4.33Å; L318-F362 WeakPolarHBondContact O-CZ 3.16Å; F332-F362 HydrophobicContact CD1-CD1 4.13Å; F332-F362 HydrophobicContact CD1-CE1 4.28Å; F332-F362 HydrophobicContact CD1-CG 4.36Å; F332-F362 HydrophobicContact CD2-CE1 4.39Å; F332-F362 AromaticContact CE1-CD1 3.92Å; F332-F362 HydrophobicContact CE1-CD1 3.92Å; F332-F362 HydrophobicContact CE1-CD2 4.08Å; F332-F362 AromaticContact CE1-CE1 3.73Å; F332-F362 HydrophobicContact CE1-CE1 3.73Å; F332-F362 AromaticContact CE1-CE2 3.89Å; F332-F362 HydrophobicContact CE1-CE2 3.89Å; F332-F362 HydrophobicContact CE1-CG 4.09Å; F332-F362 AromaticContact CE1-CZ 3.71Å; F332-F362 HydrophobicContact CE1-CZ 3.71Å; F332-F362 AromaticContact CE2-CE1 3.86Å; F332-F362 HydrophobicContact CE2-CE1 3.86Å; F332-F362 HydrophobicContact CE2-CZ 4.14Å; F332-F362 HydrophobicContact CZ-CD1 4.14Å; F332-F362 AromaticContact CZ-CE1 3.48Å; F332-F362 HydrophobicContact CZ-CE1 3.48Å; F332-F362 VanDerWaalsContact CZ-CE1 3.48Å; F332-F362 AromaticContact CZ-CE2 3.99Å; F332-F362 HydrophobicContact CZ-CE2 3.99Å; F332-F362 AromaticContact CZ-CZ 3.39Å; F332-F362 HydrophobicContact CZ-CZ 3.39Å; T359-F362 PolarHBondContact O-N 2.88Å; S360-F362 PolarHBondContact O-N 3.39Å; F362-C367 HydrophobicContact CD1-CB 4.49Å; F362-L370 HydrophobicContact CD1-CD1 3.81Å; F362-K375 HydrophobicContact CB-CD 3.98Å; F362-K375 WeakPolarHBondContact O-CD 3.23Å; F362-K375 WeakPolarHBondContact O-CE 3.37Å; F362-F377 HydrophobicContact CD2-CE2 4.48Å; F362-F377 AromaticContact CD2-CZ 3.63Å; F362-F377 HydrophobicContact CD2-CZ 3.63Å; F362-F377 HydrophobicContact CE2-CZ 4.07Å; F362-F377 HydrophobicContact CG-CZ 4.39Å; F362-F421 HydrophobicContact CB-CE1 4.34Å; F362-F421 HydrophobicContact CB-CZ 4.21Å; F362-F421 WeakPolarHBondContact O-CZ 3.44Å |
| 363 | T | 84 | Confident | 87.9 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -59.8 | 161.1 | 170.3 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | S360 S365 K366 C367 D417 E418 | S360-T363 WeakPolarHBondContact O-CG2 3.27Å; S360-T363 PolarHBondContact O-N 2.78Å; S360-T363 PolarHBondContact O-OG1 3.27Å; T363-S365 PolarHBondContact O-N 2.97Å; T363-S365 PolarHBondContact OG1-OG 2.84Å; T363-K366 PolarHBondContact O-N 2.9Å; T363-K366 PolarHBondContact OG1-N 2.86Å; T363-C367 PolarHBondContact O-N 3.46Å; T363-D417 WeakPolarHBondContact CB-O 3.35Å; T363-D417 WeakPolarHBondContact CB-OD2 3.44Å; T363-D417 PolarHBondContact OG1-OD2 2.96Å; T363-E418 HydrophobicContact CG2-CG 4.18Å |
| 364 | G | 76.8 | Confident | 88.3 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P368 D417 | G364-P368 VanDerWaalsContact O-CA 3.27Å; G364-P368 WeakPolarHBondContact O-CA 3.38Å; G364-D417 VanDerWaalsContact C-OD1 3.32Å; G364-D417 VanDerWaalsContact CA-OD1 3.26Å; G364-D417 WeakPolarHBondContact CA-OD1 3.35Å; G364-D417 PolarHBondContact N-O 3.32Å; G364-D417 PolarHBondContact N-OD1 3.42Å |
| 365 | S | 81.2 | Confident | 88.8 | Confident | 76 Ų | 76 | 34.7 Ų | 34.7 | 53% | 0.531 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -46 | 178 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | T363 D417 | T363-S365 PolarHBondContact O-N 2.97Å; T363-S365 PolarHBondContact OG1-OG 2.84Å; S365-D417 WeakPolarHBondContact CB-OD1 3.21Å; S365-D417 WeakPolarHBondContact CB-OD2 3.36Å; S365-D417 PolarHBondContact N-OD1 2.88Å; S365-D417 VanDerWaalsContact OG-CG 3.26Å; S365-D417 PolarHBondContact OG-OD1 2.86Å; S365-D417 PolarHBondContact OG-OD2 2.66Å |
| 366 | K | 86 | Confident | 89.4 | Confident | 93 Ų | 93 | 34.1 Ų | 34.1 | 40% | 0.404 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -34.2 | -179.8 | -69.4 | -167.8 | -163.6 | 168.5 | 0 | 113.1 | Q322 S360 Y361 T363 | Q322-K366 HydrophobicContact CG-CB 4.41Å; Q322-K366 WeakPolarHBondContact CG-O 2.85Å; Q322-K366 PolarHBondContact NE2-O 3.4Å; S360-K366 WeakPolarHBondContact O-CD 3.3Å; S360-K366 PolarHBondContact OG-NZ 3.31Å; Y361-K366 WeakPolarHBondContact O-CB 3.35Å; T363-K366 PolarHBondContact O-N 2.9Å; T363-K366 PolarHBondContact OG1-N 2.86Å |
| 367 | C | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | trans | -128.3 | 73.1 | 176.8 | -164.9 | 0 | 0 | 0 | 0 | 112.4 | Q322 F362 T363 S369 L370 | Q322-C367 HydrophobicContact CG-CB 4.23Å; Q322-C367 PolarHBondContact O-SG 2.9Å; F362-C367 HydrophobicContact CD1-CB 4.49Å; T363-C367 PolarHBondContact O-N 3.46Å; C367-S369 PolarHBondContact O-N 3.32Å; C367-L370 PolarHBondContact O-N 2.81Å | ||
| 368 | P | 89 | Confident | 91 | Very high | 89 Ų | 89 | 24.3 Ų | 24.3 | 58% | 0.578 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | -59 | -24.4 | -176.3 | -26.2 | 35.3 | 0 | 0 | 0 | 115.2 | G364 L370 S371 | G364-P368 VanDerWaalsContact O-CA 3.27Å; G364-P368 WeakPolarHBondContact O-CA 3.38Å; P368-L370 PolarHBondContact O-N 2.89Å; P368-S371 VanDerWaalsContact O-CB 3.28Å; P368-S371 WeakPolarHBondContact O-CB 3.27Å; P368-S371 PolarHBondContact O-N 2.83Å; P368-S371 VanDerWaalsContact O-N 3.12Å |
| 369 | S | 92.4 | Very high | 91.1 | Very high | 24 Ų | 24 | 24.3 Ų | 24.3 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -69.8 | -13.8 | 176.9 | 61 | 0 | 0 | 0 | 0 | 113.8 | A324 H326 C367 K373 | A324-S369 PolarHBondContact O-OG 3.45Å; H326-S369 PolarHBondContact CD2-OG 2.72Å; H326-S369 PolarHBondContact N-OG 2.97Å; C367-S369 PolarHBondContact O-N 3.32Å; S369-K373 PolarHBondContact O-NZ 2.9Å |
| 370 | L | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -107.1 | 6.3 | 170.8 | -68.6 | 174.8 | 0 | 0 | 0 | 114.1 | H326 F332 F362 C367 P368 G372 K373 K375 | H326-L370 HydrophobicContact CB-CD2 3.48Å; H326-L370 VanDerWaalsContact CB-CD2 3.48Å; H326-L370 HydrophobicContact CB-CG 3.7Å; F332-L370 HydrophobicContact CB-CD1 3.66Å; F332-L370 HydrophobicContact CB-CD2 3.91Å; F332-L370 HydrophobicContact CB-CG 4.47Å; F332-L370 HydrophobicContact CD2-CD1 4.42Å; F332-L370 HydrophobicContact CG-CD1 3.96Å; F362-L370 HydrophobicContact CD1-CD1 3.81Å; C367-L370 PolarHBondContact O-N 2.81Å; P368-L370 PolarHBondContact O-N 2.89Å; L370-G372 PolarHBondContact O-N 3.21Å; L370-K373 HydrophobicContact CD2-CB 4.44Å; L370-K373 HydrophobicContact CD2-CD 4.26Å; L370-K373 PolarHBondContact O-N 3.01Å; L370-K375 HydrophobicContact CB-CD 4.13Å; L370-K375 HydrophobicContact CB-CG 4.3Å; L370-K375 HydrophobicContact CD1-CG 4.37Å; L370-K375 PolarHBondContact O-NZ 2.98Å |
| 371 | S | 89.6 | Confident | 90.8 | Very high | 55 Ų | 55 | 22.7 Ų | 22.7 | 39% | 0.385 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 131.3 | 171.7 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | P368 K373 I415 | P368-S371 VanDerWaalsContact O-CB 3.28Å; P368-S371 WeakPolarHBondContact O-CB 3.27Å; P368-S371 PolarHBondContact O-N 2.83Å; P368-S371 VanDerWaalsContact O-N 3.12Å; S371-K373 VanDerWaalsContact C-N 3.27Å; S371-K373 PolarHBondContact O-N 3.37Å; S371-I415 WeakPolarHBondContact OG-CD1 3.38Å |
| 372 | G | 87.1 | Confident | 90 | Very high | 26 Ų | 26 | 22.2 Ų | 22.2 | 27% | 0.268 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 0.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L370 D420 | L370-G372 PolarHBondContact O-N 3.21Å; G372-D420 WeakPolarHBondContact CA-OD2 3.4Å |
| 373 | K | 97 | Very high | 88.9 | Confident | 38 Ų | 38 | 22.5 Ų | 22.5 | 17% | 0.165 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -113.5 | 145.9 | -175.8 | -62.3 | 179.7 | -173.9 | 169.6 | 0 | 111.8 | H326 K327 K329 S369 L370 S371 K375 D420 | H326-K373 PolarHBondContact O-NZ 3.44Å; K327-K373 PolarHBondContact O-NZ 3.44Å; K329-K373 WeakPolarHBondContact O-CD 3.45Å; K329-K373 WeakPolarHBondContact O-CE 3.11Å; K329-K373 PolarHBondContact O-NZ 3.14Å; S369-K373 PolarHBondContact O-NZ 2.9Å; L370-K373 HydrophobicContact CD2-CB 4.44Å; L370-K373 HydrophobicContact CD2-CD 4.26Å; L370-K373 PolarHBondContact O-N 3.01Å; S371-K373 VanDerWaalsContact C-N 3.27Å; S371-K373 PolarHBondContact O-N 3.37Å; K373-K375 PolarHBondContact O-N 2.9Å; K373-K375 PolarHBondContact O-NZ 2.95Å; K373-D420 VanDerWaalsContact O-CB 3.31Å; K373-D420 WeakPolarHBondContact O-CB 3.47Å |
| 374 | P | 98 | Very high | 87.4 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | trans | -64.2 | 128.9 | 177.6 | 26.5 | -36.3 | 0 | 0 | 0 | 112.4 | Y248 M250 D330 C331 F332 D420 L492 L496 | Y248-P374 HydrophobicContact CD1-CG 4.4Å; Y248-P374 HydrophobicContact CD2-CB 4.44Å; Y248-P374 HydrophobicContact CD2-CG 4.48Å; Y248-P374 HydrophobicContact CE2-CB 4.46Å; Y248-P374 HydrophobicContact CG-CG 4.2Å; M250-P374 HydrophobicContact CE-CG 4.09Å; D330-P374 WeakPolarHBondContact O-CD 3.24Å; C331-P374 WeakPolarHBondContact CA-O 3.49Å; C331-P374 HydrophobicContact CB-CG 3.92Å; C331-P374 PolarHBondContact SG-O 2.87Å; C331-P374 VanDerWaalsContact SG-O 3.41Å; F332-P374 PolarHBondContact N-O 3.37Å; P374-D420 CarbonylContact C-O 3.27Å; P374-D420 WeakPolarHBondContact CA-O 3.36Å; P374-L492 HydrophobicContact CB-CD2 4.28Å; P374-L496 HydrophobicContact CB-CD1 4.04Å; P374-L496 HydrophobicContact CB-CD2 3.57Å; P374-L496 HydrophobicContact CB-CG 4.46Å; P374-L496 HydrophobicContact CG-CD1 3.77Å; P374-L496 HydrophobicContact CG-CD2 4.22Å | ||
| 375 | K | 98.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 111.7 | 179.5 | -66.3 | 168 | -71 | -69.5 | 0 | 108.8 | F362 L370 K373 A419 D420 F421 L422 | F362-K375 HydrophobicContact CB-CD 3.98Å; F362-K375 WeakPolarHBondContact O-CD 3.23Å; F362-K375 WeakPolarHBondContact O-CE 3.37Å; L370-K375 HydrophobicContact CB-CD 4.13Å; L370-K375 HydrophobicContact CB-CG 4.3Å; L370-K375 HydrophobicContact CD1-CG 4.37Å; L370-K375 PolarHBondContact O-NZ 2.98Å; K373-K375 PolarHBondContact O-N 2.9Å; K373-K375 PolarHBondContact O-NZ 2.95Å; K375-A419 WeakPolarHBondContact CE-O 3.34Å; K375-A419 PolarHBondContact NZ-O 3.42Å; K375-D420 PolarHBondContact N-O 3.36Å; K375-F421 HydrophobicContact CB-CD1 3.89Å; K375-F421 HydrophobicContact CB-CE1 4.01Å; K375-F421 HydrophobicContact CB-CG 4.24Å; K375-F421 HydrophobicContact CB-CZ 4.46Å; K375-F421 HydrophobicContact CD-CD2 4.44Å; K375-F421 HydrophobicContact CD-CE1 4.2Å; K375-F421 HydrophobicContact CD-CE2 3.94Å; K375-F421 HydrophobicContact CD-CZ 3.82Å; K375-F421 VanDerWaalsContact CE-CD2 3.48Å; K375-F421 CarbonylContact O-C 3.58Å; K375-F421 VanDerWaalsContact O-CA 3.3Å; K375-F421 WeakPolarHBondContact O-CA 3.39Å; K375-L422 PolarHBondContact O-N 3.48Å |
| 376 | I | 98.5 | Very high | 84 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.5 | -164.3 | -45.2 | 178.1 | 0 | 0 | 0 | 110.4 | F332 I333 C334 F378 L422 L496 F498 | F332-I376 PolarHBondContact O-N 3.44Å; I333-I376 CarbonylContact C-O 3.57Å; I333-I376 WeakPolarHBondContact CA-O 3.23Å; I333-I376 HydrophobicContact CD1-CD1 4.23Å; I333-I376 HydrophobicContact CG1-CB 4.18Å; I333-I376 HydrophobicContact CG1-CD1 4.12Å; I333-I376 HydrophobicContact CG1-CG1 4.43Å; C334-I376 PolarHBondContact N-O 3.19Å; I376-F378 HydrophobicContact CG2-CD2 4.12Å; I376-F378 HydrophobicContact CG2-CE1 4.08Å; I376-F378 HydrophobicContact CG2-CE2 3.5Å; I376-F378 VanDerWaalsContact CG2-CE2 3.5Å; I376-F378 HydrophobicContact CG2-CZ 3.48Å; I376-F378 VanDerWaalsContact CG2-CZ 3.48Å; I376-L422 CarbonylContact C-O 3.55Å; I376-L422 VanDerWaalsContact CA-O 3.32Å; I376-L422 WeakPolarHBondContact CA-O 3.31Å; I376-L422 HydrophobicContact CG1-CB 4.43Å; I376-L422 HydrophobicContact CG2-CB 4.22Å; I376-L422 HydrophobicContact CG2-CD2 3.95Å; I376-L422 HydrophobicContact CG2-CG 4.08Å; I376-L496 HydrophobicContact CD1-CD2 3.69Å; I376-L496 HydrophobicContact CG1-CD2 4.38Å; I376-F498 HydrophobicContact CD1-CE1 4.4Å; I376-F498 HydrophobicContact CD1-CE2 4.43Å; I376-F498 HydrophobicContact CD1-CZ 3.56Å |
| 377 | F | 98.1 | Very high | 81.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.1 | 178.8 | -73 | -98.1 | 0 | 0 | 0 | 109.7 | F332 C334 T359 F362 I379 F421 L422 L423 G424 | F332-F377 HydrophobicContact CE1-CE2 4.42Å; F332-F377 AromaticContact CE1-CZ 3.95Å; F332-F377 HydrophobicContact CE1-CZ 3.95Å; C334-F377 HydrophobicContact CB-CD1 3.72Å; C334-F377 HydrophobicContact CB-CE1 3.62Å; C334-F377 HydrophobicContact CB-CG 4.46Å; C334-F377 HydrophobicContact CB-CZ 4.28Å; C334-F377 CarbonylContact O-C 3.57Å; C334-F377 VanDerWaalsContact O-CA 3.27Å; C334-F377 WeakPolarHBondContact O-CA 3.31Å; T359-F377 HydrophobicContact CG2-CB 4.4Å; T359-F377 HydrophobicContact CG2-CD1 3.9Å; T359-F377 HydrophobicContact CG2-CD2 3.86Å; T359-F377 HydrophobicContact CG2-CE1 4.1Å; T359-F377 HydrophobicContact CG2-CE2 4.09Å; T359-F377 HydrophobicContact CG2-CG 3.77Å; T359-F377 HydrophobicContact CG2-CZ 4.2Å; F362-F377 HydrophobicContact CD2-CE2 4.48Å; F362-F377 AromaticContact CD2-CZ 3.63Å; F362-F377 HydrophobicContact CD2-CZ 3.63Å; F362-F377 HydrophobicContact CE2-CZ 4.07Å; F362-F377 HydrophobicContact CG-CZ 4.39Å; F377-I379 HydrophobicContact CB-CD1 4.37Å; F377-F421 HydrophobicContact CD2-CD1 4.24Å; F377-F421 HydrophobicContact CD2-CE1 4.46Å; F377-F421 HydrophobicContact CE2-CD1 4.06Å; F377-F421 AromaticContact CE2-CE1 3.85Å; F377-F421 HydrophobicContact CE2-CE1 3.85Å; F377-L422 PolarHBondContact N-O 2.87Å; F377-L423 HydrophobicContact CB-CD1 3.61Å; F377-L423 CarbonylContact O-C 3.58Å; F377-L423 WeakPolarHBondContact O-CA 3.37Å; F377-G424 PolarHBondContact O-N 3.48Å |
| 378 | F | 97.8 | Very high | 79 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 108.6 | 173.7 | -66.3 | -62.3 | 0 | 0 | 0 | 109.4 | F296 I333 C334 C335 I336 I376 L447 L465 | F296-F378 HydrophobicContact CE1-CE2 4.46Å; F296-F378 HydrophobicContact CE2-CD2 4.4Å; F296-F378 HydrophobicContact CE2-CE2 4.31Å; F296-F378 HydrophobicContact CZ-CD2 4.15Å; F296-F378 AromaticContact CZ-CE2 3.62Å; F296-F378 HydrophobicContact CZ-CE2 3.62Å; F296-F378 HydrophobicContact CZ-CZ 4.49Å; I333-F378 HydrophobicContact CG2-CD2 4.02Å; I333-F378 HydrophobicContact CG2-CE2 4.13Å; C334-F378 PolarHBondContact O-N 3.12Å; C335-F378 WeakPolarHBondContact CA-O 3.41Å; I336-F378 PolarHBondContact N-O 3.13Å; I376-F378 HydrophobicContact CG2-CD2 4.12Å; I376-F378 HydrophobicContact CG2-CE1 4.08Å; I376-F378 HydrophobicContact CG2-CE2 3.5Å; I376-F378 VanDerWaalsContact CG2-CE2 3.5Å; I376-F378 HydrophobicContact CG2-CZ 3.48Å; I376-F378 VanDerWaalsContact CG2-CZ 3.48Å; F378-L447 HydrophobicContact CB-CD2 4.38Å; F378-L447 HydrophobicContact CD1-CD2 3.6Å; F378-L447 HydrophobicContact CD2-CD2 4.22Å; F378-L447 HydrophobicContact CE1-CD1 4.08Å; F378-L447 HydrophobicContact CE1-CD2 3.83Å; F378-L447 HydrophobicContact CE2-CD2 4.42Å; F378-L447 HydrophobicContact CG-CD2 3.8Å; F378-L447 HydrophobicContact CZ-CD1 4.34Å; F378-L447 HydrophobicContact CZ-CD2 4.23Å; F378-L465 HydrophobicContact CE1-CD2 4.21Å |
| 379 | I | 93.1 | Very high | 76.3 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 105.7 | -172.6 | -50.8 | -58.9 | 0 | 0 | 0 | 109.9 | I336 V345 I355 F377 A381 L423 G424 M425 A426 | I336-I379 HydrophobicContact CB-CD1 3.89Å; I336-I379 HydrophobicContact CD1-CD1 3.91Å; I336-I379 HydrophobicContact CG1-CD1 3.96Å; V345-I379 HydrophobicContact CG1-CG2 3.79Å; I355-I379 HydrophobicContact CD1-CG2 4.05Å; I355-I379 HydrophobicContact CG2-CG1 4.44Å; F377-I379 HydrophobicContact CB-CD1 4.37Å; I379-A381 HydrophobicContact CG2-CB 4.17Å; I379-L423 HydrophobicContact CG1-CD1 3.63Å; I379-G424 PolarHBondContact N-O 3.43Å; I379-M425 HydrophobicContact CB-CE 4.19Å; I379-M425 HydrophobicContact CB-SD 3.74Å; I379-M425 HydrophobicContact CG1-SD 3.94Å; I379-M425 HydrophobicContact CG2-CE 4.09Å; I379-M425 HydrophobicContact CG2-SD 4.25Å; I379-A426 WeakPolarHBondContact O-CB 3.2Å; I379-A426 PolarHBondContact O-N 2.92Å |
| 380 | Q | 90.8 | Very high | 73.3 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 77.4 | 174.5 | 174 | 40.3 | 80.9 | 0 | 0 | 110 | I336 L337 S338 A426 S433 T441 I444 | I336-Q380 PolarHBondContact O-N 3.27Å; L337-Q380 HydrophobicContact CD2-CB 3.74Å; L337-Q380 HydrophobicContact CD2-CG 4.21Å; S338-Q380 PolarHBondContact N-O 3.35Å; S338-Q380 VanDerWaalsContact O-O 3.05Å; Q380-A426 HydrophobicContact CB-CB 4.45Å; Q380-A426 VanDerWaalsContact OE1-CB 3.25Å; Q380-S433 PolarHBondContact NE2-OG 3.29Å; Q380-T441 HydrophobicContact CG-CG2 3.7Å; Q380-T441 WeakPolarHBondContact CG-OG1 3.18Å; Q380-T441 PolarHBondContact OE1-OG1 3.33Å; Q380-I444 HydrophobicContact CB-CD1 3.97Å; Q380-I444 HydrophobicContact CB-CG1 3.8Å; Q380-I444 HydrophobicContact CG-CG1 3.83Å |
| 381 | A | 79.4 | Confident | 70.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -138.1 | 160.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V345 I379 S433 | V345-A381 HydrophobicContact CG1-CB 3.94Å; I379-A381 HydrophobicContact CG2-CB 4.17Å; A381-S433 PolarHBondContact O-OG 2.98Å |
| 382 | C | 75.5 | Confident | 67.3 | Low | 29 Ų | 29 | 46.6 Ų | 46.6 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | trans | -67.7 | 156.3 | 166.4 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | G340 D341 S433 | G340-C382 CarbonylContact C-O 3.51Å; G340-C382 WeakPolarHBondContact CA-O 3.31Å; D341-C382 PolarHBondContact N-O 2.92Å; C382-S433 PolarHBondContact SG-N 2.66Å | ||
| 383 | Q | 70.1 | Confident | 64.5 | Low | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | trans | -124.3 | 19.5 | 176.3 | -71.3 | -64.4 | -70.8 | 0 | 0 | 112.1 | D341 K342 M425 T427 N430 C431 | D341-Q383 PolarHBondContact O-NE2 2.91Å; K342-Q383 WeakPolarHBondContact CA-O 3.47Å; K342-Q383 WeakPolarHBondContact CB-O 3.15Å; K342-Q383 PolarHBondContact N-O 3.03Å; Q383-M425 VanDerWaalsContact CD-CE 3.45Å; Q383-M425 HydrophobicContact CG-CE 3.6Å; Q383-T427 HydrophobicContact CB-CG2 4.17Å; Q383-T427 HydrophobicContact CG-CG2 4.26Å; Q383-N430 CarbonylContact O-C 3.47Å; Q383-N430 WeakPolarHBondContact O-CA 3.29Å; Q383-N430 PolarHBondContact O-N 2.81Å; Q383-C431 PolarHBondContact N-O 3.46Å | ||
| 384 | G | 52.9 | Low | 61.3 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 151.9 | -176.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D341 N430 C431 | D341-G384 WeakPolarHBondContact OD1-CA 3.37Å; G384-N430 CarbonylContact C-O 3.58Å; G384-N430 WeakPolarHBondContact CA-O 3.43Å; G384-C431 PolarHBondContact N-O 3.49Å; G384-C431 CarbonylContact O-C 3.31Å |
| 385 | S | 49.8 | Very low | 58.1 | Low | 95 Ų | 95 | 65.5 Ų | 65.5 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -100 | -2.2 | -174.4 | 57.2 | 0 | 0 | 0 | 0 | 115 | ||
| 386 | N | 36.8 | Very low | 54.6 | Low | 93 Ų | 93 | 69.2 Ų | 69.2 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 144.2 | -176.3 | -61 | -41.3 | 0 | 0 | 0 | 112 | N430 C431 V432 | N386-N430 VanDerWaalsContact CB-O 3.28Å; N386-N430 WeakPolarHBondContact CB-O 3.46Å; N386-N430 PolarHBondContact N-O 3.12Å; N386-N430 VanDerWaalsContact N-O 3.08Å; N386-N430 PolarHBondContact ND2-O 3.45Å; N386-C431 VanDerWaalsContact O-CA 3.27Å; N386-C431 WeakPolarHBondContact O-CA 3.32Å; N386-V432 PolarHBondContact O-N 3.47Å |
| 387 | F | 40.8 | Very low | 51.2 | Low | 109 Ų | 109 | 78.9 Ų | 78.9 | 48% | 0.478 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 128.4 | 167.7 | -59.3 | -75.6 | 0 | 0 | 0 | 109.6 | K389 V432 Y434 | F387-K389 PolarHBondContact O-N 2.93Å; F387-V432 HydrophobicContact CD1-CG2 3.73Å; F387-V432 HydrophobicContact CE1-CG2 4.05Å; F387-Y434 WeakPolarHBondContact CD1-OH 3.21Å |
| 388 | Q | 30.1 | Very low | 47.8 | Very low | 74 Ų | 74 | 88.3 Ų | 88.3 | 35% | 0.346 | 50% | 0.503 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 123.5 | 175.8 | -174.7 | 64.4 | 9.6 | 0 | 0 | 109.4 | C431 K483 | Q388-C431 PolarHBondContact OE1-SG 3.35Å; Q388-C431 VanDerWaalsContact OE1-SG 3.38Å; Q388-K483 HydrophobicContact CB-CB 4.44Å; Q388-K483 WeakPolarHBondContact CB-O 3.32Å; Q388-K483 PolarHBondContact O-N 3.22Å |
| 389 | K | 33.3 | Very low | 44.4 | Very low | 179 Ų | 179 | 96.6 Ų | 96.6 | 78% | 0.778 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -78 | 132.3 | 176.1 | -64.2 | 179.8 | -178.3 | 176.5 | 0 | 109.5 | F387 | F387-K389 PolarHBondContact O-N 2.93Š|
| 390 | G | 28.8 | Very low | 41.1 | Very low | 56 Ų | 56 | 104.2 Ų | 104.2 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -79 | 145.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 391 | V | 30.3 | Very low | 37.9 | Very low | 125 Ų | 125 | 110.5 Ų | 110.5 | 76% | 0.758 | 61% | 0.611 | S | S | * | * | trans | -124.6 | 146.5 | 172.8 | -174.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 392 | P | 26.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 118 Ų | 118 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | trans | -66.2 | 135.4 | 172.8 | -17.9 | 32.1 | 0 | 0 | 0 | 111.3 | ||||
| 393 | D | 28.8 | Very low | 32.7 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 86% | 0.856 | 68% | 0.675 | S | S | * | * | trans | -94.8 | 133.7 | 177 | -98.9 | -30.8 | 0 | 0 | 0 | 111.6 | ||||
| 394 | E | 30.1 | Very low | 30.5 | Very low | 198 Ų | 198 | 128.6 Ų | 128.6 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | trans | -118 | 119 | 159.7 | -69.5 | -172.2 | -176.4 | 0 | 0 | 107.8 | ||||
| 395 | A | 29.6 | Very low | 29 | Very low | 104 Ų | 104 | 137 Ų | 137 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -97.2 | 147 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 396 | G | 26.1 | Very low | 27.7 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 75% | 0.746 | S | S | * | * | trans | -167.8 | 119.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 397 | F | 27.3 | Very low | 27 | Very low | 203 Ų | 203 | 142.2 Ų | 142.2 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -98.7 | 147.3 | 171.5 | -74.5 | -103.3 | 0 | 0 | 0 | 110.3 | ||||
| 398 | E | 25.1 | Very low | 26.2 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -145.4 | 164.7 | 145.7 | -71.2 | -156.3 | 155.3 | 0 | 0 | 111.1 | ||||
| 399 | Q | 26.1 | Very low | 25.9 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -128.1 | 177.5 | -168.4 | -77 | -175.6 | -30.9 | 0 | 0 | 113 | ||||
| 400 | Q | 24.7 | Very low | 25.9 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 94.7 | 144.5 | 160.2 | -58.7 | -172.8 | 37.8 | 0 | 0 | 116.4 | ||||
| 401 | N | 24 | Very low | 25.9 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | -155.6 | 172.3 | -3.6 | -105.7 | -17 | 0 | 0 | 0 | 112.7 | ||||
| 402 | H | 23.6 | Very low | 25.8 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -48.7 | 159 | -177.2 | -75.1 | -85.6 | 0 | 0 | 0 | 120.4 | ||||
| 403 | T | 21 | Very low | 26.2 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | -153.6 | 150.6 | 116.3 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 404 | L | 23.7 | Very low | 26.7 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | -133.2 | 142.7 | 175.6 | -77.2 | 170.3 | 0 | 0 | 0 | 109.8 | ||||
| 405 | E | 22.1 | Very low | 27.2 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -129.5 | 152.1 | 159.2 | -68.5 | -166.7 | 158.8 | 0 | 0 | 110 | ||||
| 406 | V | 23.1 | Very low | 28 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -138.8 | 130.7 | -170.2 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 407 | D | 20.8 | Very low | 29.4 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 93% | 0.925 | 73% | 0.73 | S | S | * | * | trans | -124.1 | 144.3 | 158.2 | -100.1 | -39.7 | 0 | 0 | 0 | 110.9 | ||||
| 408 | S | 24.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | -122.5 | 127 | -170.3 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 409 | S | 25.2 | Very low | 33.6 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | trans | -142.1 | 142.1 | 162 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | H411 | S409-H411 PolarHBondContact O-N 3.46Å; S409-H411 PolarHBondContact O-ND1 2.82Å; S409-H411 PolarHBondContact OG-CE1 3.45Å; S409-H411 PolarHBondContact OG-ND1 2.94Å | ||
| 410 | S | 33.3 | Very low | 36.8 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 90% | 0.902 | 63% | 0.628 | S | S | * | * | trans | -74 | 81.4 | -166.7 | 53 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 411 | H | 28 | Very low | 40 | Very low | 131 Ų | 131 | 112.1 Ų | 112.1 | 61% | 0.606 | 60% | 0.596 | S | S | * | * | trans | -82.7 | 147 | 173.8 | -70.3 | 73.1 | 0 | 0 | 0 | 111.2 | S409 N413 | S409-H411 PolarHBondContact O-N 3.46Å; S409-H411 PolarHBondContact O-ND1 2.82Å; S409-H411 PolarHBondContact OG-CE1 3.45Å; S409-H411 PolarHBondContact OG-ND1 2.94Å; H411-N413 PolarHBondContact O-N 2.8Å; H411-N413 VanDerWaalsContact O-N 3.1Å | ||
| 412 | K | 28.7 | Very low | 43.5 | Very low | 175 Ų | 175 | 105.6 Ų | 105.6 | 76% | 0.761 | 56% | 0.562 | S | S | * | * | trans | -63.4 | 111.6 | 157.9 | -72.1 | 177.1 | -177.8 | 171.4 | 0 | 106.1 | Y414 | K412-Y414 VanDerWaalsContact C-N 3.33Å; K412-Y414 HydrophobicContact CB-CD2 4.49Å; K412-Y414 HydrophobicContact CB-CE2 3.92Å; K412-Y414 WeakPolarHBondContact O-CD2 3.32Å; K412-Y414 PolarHBondContact O-N 2.82Å | ||
| 413 | N | 35.1 | Very low | 46.8 | Very low | 148 Ų | 148 | 100 Ų | 100 | 79% | 0.791 | 54% | 0.537 | S | S | * | . | trans | -72.9 | 83.1 | -169.6 | -71.5 | -43.9 | 0 | 0 | 0 | 112 | H411 | H411-N413 PolarHBondContact O-N 2.8Å; H411-N413 VanDerWaalsContact O-N 3.1Å | ||
| 414 | Y | 39.3 | Very low | 50.2 | Low | 204 Ų | 204 | 93.7 Ų | 93.7 | 80% | 0.8 | 50% | 0.498 | S | S | * | . | trans | -66.2 | 145.1 | 161.6 | -61.9 | -83.9 | 0 | 0 | 0 | 109.3 | K412 | K412-Y414 VanDerWaalsContact C-N 3.33Å; K412-Y414 HydrophobicContact CB-CD2 4.49Å; K412-Y414 HydrophobicContact CB-CE2 3.92Å; K412-Y414 WeakPolarHBondContact O-CD2 3.32Å; K412-Y414 PolarHBondContact O-N 2.82Å | ||
| 415 | I | 39.8 | Very low | 53.2 | Low | 47 Ų | 47 | 88.5 Ų | 88.5 | 24% | 0.241 | 47% | 0.471 | C | S | . | . | trans | -124 | 149.1 | -179.7 | 72.7 | 169.2 | 0 | 0 | 0 | 107.8 | S371 R493 | S371-I415 WeakPolarHBondContact OG-CD1 3.38Å; I415-R493 VanDerWaalsContact CD1-NH2 3.35Å | ||
| 416 | P | 46.3 | Very low | 55.8 | Low | 90 Ų | 90 | 79.6 Ų | 79.6 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | trans | -57.7 | 145.1 | 177.1 | -23.4 | 32.9 | 0 | 0 | 0 | 111.8 | E418 A419 | P416-E418 VanDerWaalsContact C-N 3.3Å; P416-E418 PolarHBondContact O-N 2.85Å; P416-A419 HydrophobicContact CB-CB 4.16Å; P416-A419 HydrophobicContact CG-CB 4.47Å; P416-A419 WeakPolarHBondContact O-CB 3.35Å; P416-A419 PolarHBondContact O-N 3.22Å | ||
| 417 | D | 56.6 | Low | 57.7 | Low | 70 Ų | 70 | 73.8 Ų | 73.8 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -35.7 | -171.7 | -163.6 | 30.9 | 0 | 0 | 0 | 113.2 | T363 G364 S365 A419 | T363-D417 WeakPolarHBondContact CB-O 3.35Å; T363-D417 WeakPolarHBondContact CB-OD2 3.44Å; T363-D417 PolarHBondContact OG1-OD2 2.96Å; G364-D417 VanDerWaalsContact C-OD1 3.32Å; G364-D417 VanDerWaalsContact CA-OD1 3.26Å; G364-D417 WeakPolarHBondContact CA-OD1 3.35Å; G364-D417 PolarHBondContact N-O 3.32Å; G364-D417 PolarHBondContact N-OD1 3.42Å; S365-D417 WeakPolarHBondContact CB-OD1 3.21Å; S365-D417 WeakPolarHBondContact CB-OD2 3.36Å; S365-D417 PolarHBondContact N-OD1 2.88Å; S365-D417 VanDerWaalsContact OG-CG 3.26Å; S365-D417 PolarHBondContact OG-OD1 2.86Å; S365-D417 PolarHBondContact OG-OD2 2.66Å; D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 2.93Å |
| 418 | E | 72.4 | Confident | 59.3 | Low | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 19.2 | 175.5 | -57.2 | -170.1 | 171.9 | 0 | 0 | 112.9 | Y356 T363 P416 F421 T491 | Y356-E418 PolarHBondContact OH-OE1 2.71Å; T363-E418 HydrophobicContact CG2-CG 4.18Å; P416-E418 VanDerWaalsContact C-N 3.3Å; P416-E418 PolarHBondContact O-N 2.85Å; E418-F421 WeakPolarHBondContact O-CD2 3.37Å; E418-T491 WeakPolarHBondContact O-CB 3.24Å; E418-T491 PolarHBondContact O-OG1 2.72Å |
| 419 | A | 68.4 | Low | 61.3 | Low | 5 Ų | 5 | 68.5 Ų | 68.5 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 157.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K375 P416 D417 F421 | K375-A419 WeakPolarHBondContact CE-O 3.34Å; K375-A419 PolarHBondContact NZ-O 3.42Å; P416-A419 HydrophobicContact CB-CB 4.16Å; P416-A419 HydrophobicContact CG-CB 4.47Å; P416-A419 WeakPolarHBondContact O-CB 3.35Å; P416-A419 PolarHBondContact O-N 3.22Å; D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 2.93Å; A419-F421 VanDerWaalsContact C-N 3.35Å |
| 420 | D | 91.6 | Very high | 62.9 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 29.9 | 176.7 | -44.9 | -53.5 | 0 | 0 | 0 | 114.2 | Y248 G372 K373 P374 K375 T491 R493 | Y248-D420 HydrophobicContact CE1-CB 4.18Å; Y248-D420 WeakPolarHBondContact OH-CB 3.35Å; Y248-D420 VanDerWaalsContact OH-CG 3.31Å; Y248-D420 PolarHBondContact OH-OD1 2.96Å; G372-D420 WeakPolarHBondContact CA-OD2 3.4Å; K373-D420 VanDerWaalsContact O-CB 3.31Å; K373-D420 WeakPolarHBondContact O-CB 3.47Å; P374-D420 CarbonylContact C-O 3.27Å; P374-D420 WeakPolarHBondContact CA-O 3.36Å; K375-D420 PolarHBondContact N-O 3.36Å; D420-T491 PolarHBondContact N-O 2.87Å; D420-T491 PolarHBondContact N-OG1 2.94Å; D420-R493 IonicContact OD1-CZ 2.89Å; D420-R493 IonicContact OD1-NE 3.43Å; D420-R493 PolarHBondContact OD1-NE 3.48Å; D420-R493 IonicContact OD1-NH2 2.69Å; D420-R493 PolarHBondContact OD1-NH2 3.27Å; D420-R493 IonicContact OD2-CZ 3.37Å; D420-R493 IonicContact OD2-NE 3.38Å; D420-R493 IonicContact OD2-NH2 2.92Å; D420-R493 PolarHBondContact OD2-NH2 3.21Å |
| 421 | F | 92.7 | Very high | 63.9 | Low | 24 Ų | 24 | 61.7 Ų | 61.7 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 151.2 | 171 | -78.1 | -99.8 | 0 | 0 | 0 | 113 | T359 F362 K375 F377 E418 A419 F490 T491 L492 | T359-F421 WeakPolarHBondContact O-CE1 3.27Å; F362-F421 HydrophobicContact CB-CE1 4.34Å; F362-F421 HydrophobicContact CB-CZ 4.21Å; F362-F421 WeakPolarHBondContact O-CZ 3.44Å; K375-F421 HydrophobicContact CB-CD1 3.89Å; K375-F421 HydrophobicContact CB-CE1 4.01Å; K375-F421 HydrophobicContact CB-CG 4.24Å; K375-F421 HydrophobicContact CB-CZ 4.46Å; K375-F421 HydrophobicContact CD-CD2 4.44Å; K375-F421 HydrophobicContact CD-CE1 4.2Å; K375-F421 HydrophobicContact CD-CE2 3.94Å; K375-F421 HydrophobicContact CD-CZ 3.82Å; K375-F421 VanDerWaalsContact CE-CD2 3.48Å; K375-F421 CarbonylContact O-C 3.58Å; K375-F421 VanDerWaalsContact O-CA 3.3Å; K375-F421 WeakPolarHBondContact O-CA 3.39Å; F377-F421 HydrophobicContact CD2-CD1 4.24Å; F377-F421 HydrophobicContact CD2-CE1 4.46Å; F377-F421 HydrophobicContact CE2-CD1 4.06Å; F377-F421 AromaticContact CE2-CE1 3.85Å; F377-F421 HydrophobicContact CE2-CE1 3.85Å; E418-F421 WeakPolarHBondContact O-CD2 3.37Å; A419-F421 VanDerWaalsContact C-N 3.35Å; F421-F490 CarbonylContact O-C 3.43Å; F421-F490 WeakPolarHBondContact O-CA 3.29Å; F421-T491 PolarHBondContact N-OG1 3.37Å; F421-T491 PolarHBondContact O-N 3.37Å; F421-L492 PolarHBondContact O-N 2.91Å |
| 422 | L | 96.6 | Very high | 65.6 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 116.7 | 167.2 | 170.6 | 62.9 | 0 | 0 | 0 | 109.2 | K375 I376 F377 I461 L462 L465 P488 F490 L492 | K375-L422 PolarHBondContact O-N 3.48Å; I376-L422 CarbonylContact C-O 3.55Å; I376-L422 VanDerWaalsContact CA-O 3.32Å; I376-L422 WeakPolarHBondContact CA-O 3.31Å; I376-L422 HydrophobicContact CG1-CB 4.43Å; I376-L422 HydrophobicContact CG2-CB 4.22Å; I376-L422 HydrophobicContact CG2-CD2 3.95Å; I376-L422 HydrophobicContact CG2-CG 4.08Å; F377-L422 PolarHBondContact N-O 2.87Å; L422-I461 HydrophobicContact CD2-CB 4.31Å; L422-I461 HydrophobicContact CD2-CG1 3.59Å; L422-I461 HydrophobicContact CD2-CG2 3.69Å; L422-L462 HydrophobicContact CD1-CD2 3.97Å; L422-L465 HydrophobicContact CD1-CD1 3.97Å; L422-L465 HydrophobicContact CD2-CD1 3.94Å; L422-L465 HydrophobicContact CG-CD1 4.36Å; L422-P488 HydrophobicContact CD1-CB 4.45Å; L422-F490 HydrophobicContact CD1-CB 3.88Å; L422-L492 HydrophobicContact CB-CD1 4.14Å; L422-L492 HydrophobicContact CB-CD2 4.3Å; L422-L492 HydrophobicContact CB-CG 4.22Å; L422-L492 HydrophobicContact CD2-CD1 4.27Å |
| 423 | L | 93 | Very high | 67.5 | Low | 40 Ų | 40 | 49.1 Ų | 49.1 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 103.7 | 177.4 | -180 | 64.2 | 0 | 0 | 0 | 109.4 | I355 F377 I379 M425 P488 T489 | I355-L423 HydrophobicContact CG2-CD1 4.21Å; I355-L423 HydrophobicContact CG2-CD2 4.31Å; F377-L423 HydrophobicContact CB-CD1 3.61Å; F377-L423 CarbonylContact O-C 3.58Å; F377-L423 WeakPolarHBondContact O-CA 3.37Å; I379-L423 HydrophobicContact CG1-CD1 3.63Å; L423-M425 HydrophobicContact CD1-SD 3.91Å; L423-M425 HydrophobicContact CD2-CG 4.32Å; L423-M425 HydrophobicContact CD2-SD 3.97Å; L423-M425 HydrophobicContact CG-CG 4.11Å; L423-M425 HydrophobicContact CG-SD 3.84Å; L423-P488 CarbonylContact O-C 3.58Å; L423-P488 WeakPolarHBondContact O-CA 3.13Å; L423-T489 PolarHBondContact N-O 2.79Å; L423-T489 PolarHBondContact O-N 3.11Å |
| 424 | G | 92.9 | Very high | 69.3 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 100.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F377 I379 Y443 | F377-G424 PolarHBondContact O-N 3.48Å; I379-G424 PolarHBondContact N-O 3.43Å; G424-Y443 WeakPolarHBondContact CA-OH 3.4Å; G424-Y443 PolarHBondContact O-OH 2.88Å |
| 425 | M | 87.4 | Confident | 71.3 | Confident | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.5 | 174.9 | -60 | -62.7 | -64.4 | 0 | 0 | 110.8 | I355 I379 Q383 L423 T427 P486 Q487 | I355-M425 HydrophobicContact CD1-CE 3.78Å; I355-M425 HydrophobicContact CD1-SD 4.4Å; I379-M425 HydrophobicContact CB-CE 4.19Å; I379-M425 HydrophobicContact CB-SD 3.74Å; I379-M425 HydrophobicContact CG1-SD 3.94Å; I379-M425 HydrophobicContact CG2-CE 4.09Å; I379-M425 HydrophobicContact CG2-SD 4.25Å; Q383-M425 VanDerWaalsContact CD-CE 3.45Å; Q383-M425 HydrophobicContact CG-CE 3.6Å; L423-M425 HydrophobicContact CD1-SD 3.91Å; L423-M425 HydrophobicContact CD2-CG 4.32Å; L423-M425 HydrophobicContact CD2-SD 3.97Å; L423-M425 HydrophobicContact CG-CG 4.11Å; L423-M425 HydrophobicContact CG-SD 3.84Å; M425-T427 PolarHBondContact O-N 3.01Å; M425-P486 WeakPolarHBondContact O-CA 3.04Å; M425-P486 WeakPolarHBondContact O-CB 3.25Å; M425-Q487 VanDerWaalsContact CB-O 3.31Å; M425-Q487 WeakPolarHBondContact CB-O 3.48Å; M425-Q487 PolarHBondContact N-O 3.03Å; M425-Q487 VanDerWaalsContact N-O 3.17Å; M425-Q487 PolarHBondContact O-N 3.22Å |
| 426 | A | 76.3 | Confident | 73 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -63.8 | -22.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I379 Q380 Y443 Q484 P486 | I379-A426 WeakPolarHBondContact O-CB 3.2Å; I379-A426 PolarHBondContact O-N 2.92Å; Q380-A426 HydrophobicContact CB-CB 4.45Å; Q380-A426 VanDerWaalsContact OE1-CB 3.25Å; A426-Y443 HydrophobicContact CB-CD1 3.48Å; A426-Y443 VanDerWaalsContact CB-CD1 3.48Å; A426-Y443 HydrophobicContact CB-CE1 4.22Å; A426-Y443 HydrophobicContact CB-CG 3.65Å; A426-Q484 PolarHBondContact O-NE2 2.93Å; A426-P486 WeakPolarHBondContact O-CA 3.43Å |
| 427 | T | 62 | Low | 74.3 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -152.5 | 151.3 | -178.5 | -162.8 | 0 | 0 | 0 | 0 | 111.5 | Q383 M425 C431 V432 M485 | Q383-T427 HydrophobicContact CB-CG2 4.17Å; Q383-T427 HydrophobicContact CG-CG2 4.26Å; M425-T427 PolarHBondContact O-N 3.01Å; T427-C431 VanDerWaalsContact CG2-O 3.25Å; T427-C431 WeakPolarHBondContact CG2-O 3.47Å; T427-V432 WeakPolarHBondContact CB-O 3.27Å; T427-V432 PolarHBondContact OG1-O 2.74Å; T427-M485 CarbonylContact C-O 3.48Å; T427-M485 VanDerWaalsContact CA-O 3.27Å; T427-M485 WeakPolarHBondContact CA-O 3.33Å |
| 428 | V | 56.4 | Low | 75.2 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | trans | -59.9 | 156.8 | 172.7 | -69 | 0 | 0 | 0 | 0 | 112.4 | C431 M485 Q487 | V428-C431 HydrophobicContact CG2-CB 3.96Å; V428-C431 PolarHBondContact O-N 2.93Å; V428-M485 HydrophobicContact CG1-CB 4.21Å; V428-M485 HydrophobicContact CG1-CG 4.23Å; V428-M485 PolarHBondContact N-O 3.08Å; V428-Q487 HydrophobicContact CG1-CB 4.11Å | ||
| 429 | K | 65.8 | Low | 75.5 | Confident | 143 Ų | 143 | 38.9 Ų | 38.9 | 62% | 0.622 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 141.9 | 179 | -68 | 178.6 | 179.9 | 174.8 | 0 | 111.9 | C431 | K429-C431 VanDerWaalsContact C-N 3.26Å; K429-C431 PolarHBondContact O-N 3.31Å |
| 430 | N | 57.4 | Low | 76.3 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 34% | 0.337 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -1.2 | -177.3 | -34.1 | -81.4 | 0 | 0 | 0 | 115.7 | Q383 G384 N386 | Q383-N430 CarbonylContact O-C 3.47Å; Q383-N430 WeakPolarHBondContact O-CA 3.29Å; Q383-N430 PolarHBondContact O-N 2.81Å; G384-N430 CarbonylContact C-O 3.58Å; G384-N430 WeakPolarHBondContact CA-O 3.43Å; N386-N430 VanDerWaalsContact CB-O 3.28Å; N386-N430 WeakPolarHBondContact CB-O 3.46Å; N386-N430 PolarHBondContact N-O 3.12Å; N386-N430 VanDerWaalsContact N-O 3.08Å; N386-N430 PolarHBondContact ND2-O 3.45Å |
| 431 | C | 55.9 | Low | 76.1 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.054 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -107.2 | 159.8 | -175.5 | -70.1 | 0 | 0 | 0 | 0 | 114.7 | Q383 G384 N386 Q388 T427 V428 K429 | Q383-C431 PolarHBondContact N-O 3.46Å; G384-C431 PolarHBondContact N-O 3.49Å; G384-C431 CarbonylContact O-C 3.31Å; N386-C431 VanDerWaalsContact O-CA 3.27Å; N386-C431 WeakPolarHBondContact O-CA 3.32Å; Q388-C431 PolarHBondContact OE1-SG 3.35Å; Q388-C431 VanDerWaalsContact OE1-SG 3.38Å; T427-C431 VanDerWaalsContact CG2-O 3.25Å; T427-C431 WeakPolarHBondContact CG2-O 3.47Å; V428-C431 HydrophobicContact CG2-CB 3.96Å; V428-C431 PolarHBondContact O-N 2.93Å; K429-C431 VanDerWaalsContact C-N 3.26Å; K429-C431 PolarHBondContact O-N 3.31Å |
| 432 | V | 63.6 | Low | 76 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | trans | -76.9 | 163.9 | 173 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | N386 F387 T427 Y434 | N386-V432 PolarHBondContact O-N 3.47Å; F387-V432 HydrophobicContact CD1-CG2 3.73Å; F387-V432 HydrophobicContact CE1-CG2 4.05Å; T427-V432 WeakPolarHBondContact CB-O 3.27Å; T427-V432 PolarHBondContact OG1-O 2.74Å; V432-Y434 HydrophobicContact CG2-CE2 3.99Å | ||
| 433 | S | 67.9 | Low | 76 | Confident | 19 Ų | 19 | 40 Ų | 40 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | trans | -125.9 | 147.4 | 168.5 | 64 | 0 | 0 | 0 | 0 | 109.9 | Q380 A381 C382 | Q380-S433 PolarHBondContact NE2-OG 3.29Å; A381-S433 PolarHBondContact O-OG 2.98Å; C382-S433 PolarHBondContact SG-N 2.66Å | ||
| 434 | Y | 73.3 | Confident | 76.1 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 11% | 0.106 | 20% | 0.198 | C | C | . | . | trans | -100.9 | 138.4 | -171.7 | -68.6 | -91.9 | 0 | 0 | 0 | 113.2 | F387 V432 T441 W442 D477 G482 Q484 | F387-Y434 WeakPolarHBondContact CD1-OH 3.21Å; V432-Y434 HydrophobicContact CG2-CE2 3.99Å; Y434-T441 WeakPolarHBondContact O-CA 3.38Å; Y434-T441 WeakPolarHBondContact O-CB 3.48Å; Y434-W442 HydrophobicContact CD1-CH2 4.02Å; Y434-W442 HydrophobicContact CD1-CZ2 4.34Å; Y434-W442 HydrophobicContact CD1-CZ3 4.4Å; Y434-W442 AromaticContact CD2-CE3 3.86Å; Y434-W442 HydrophobicContact CD2-CE3 3.86Å; Y434-W442 AromaticContact CD2-CH2 3.92Å; Y434-W442 HydrophobicContact CD2-CH2 3.92Å; Y434-W442 AromaticContact CD2-CZ3 3.46Å; Y434-W442 HydrophobicContact CD2-CZ3 3.46Å; Y434-W442 VanDerWaalsContact CD2-CZ3 3.46Å; Y434-W442 HydrophobicContact CE2-CH2 4.43Å; Y434-W442 HydrophobicContact CE2-CZ3 4.07Å; Y434-W442 HydrophobicContact CG-CD2 4.31Å; Y434-W442 AromaticContact CG-CE3 3.97Å; Y434-W442 HydrophobicContact CG-CE3 3.97Å; Y434-W442 AromaticContact CG-CH2 3.69Å; Y434-W442 HydrophobicContact CG-CH2 3.69Å; Y434-W442 HydrophobicContact CG-CZ2 4.09Å; Y434-W442 AromaticContact CG-CZ3 3.65Å; Y434-W442 HydrophobicContact CG-CZ3 3.65Å; Y434-W442 PolarHBondContact O-N 2.69Å; Y434-D477 HydrophobicContact CD1-CB 4.12Å; Y434-D477 HydrophobicContact CE1-CB 3.49Å; Y434-D477 VanDerWaalsContact CE1-CB 3.49Å; Y434-D477 WeakPolarHBondContact CE1-OD2 3.4Å; Y434-G482 WeakPolarHBondContact OH-CA 3.48Å; Y434-Q484 HydrophobicContact CD2-CB 3.95Å; Y434-Q484 HydrophobicContact CE2-CB 4.32Å | ||
| 435 | R | 80.8 | Confident | 76.3 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123 | 176.8 | -177.4 | 162.9 | 42.6 | 73.8 | 2.9 | 110.2 | R282 K283 T441 | R282-R435 VanDerWaalsContact C-NH1 3.34Å; R282-R435 VanDerWaalsContact CA-CZ 3.45Å; K283-R435 WeakPolarHBondContact O-CD 3.44Å; K283-R435 PolarHBondContact O-NH1 2.84Å; R435-T441 HydrophobicContact CB-CG2 3.65Å; R435-T441 HydrophobicContact CG-CG2 3.78Å |
| 436 | D | 75.8 | Confident | 76.7 | Confident | 53 Ų | 53 | 40 Ų | 40 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.3 | 164.5 | -173.2 | -50 | 0 | 0 | 0 | 108.7 | V438 N439 G440 | D436-V438 PolarHBondContact O-N 2.78Å; D436-V438 VanDerWaalsContact O-N 3.17Å; D436-V438 WeakPolarHBondContact OD1-CA 3.27Å; D436-V438 WeakPolarHBondContact OD1-CB 3.18Å; D436-V438 PolarHBondContact OD1-N 3.26Å; D436-N439 HydrophobicContact CB-CB 3.96Å; D436-N439 VanDerWaalsContact CG-ND2 3.26Å; D436-N439 PolarHBondContact OD1-N 2.66Å; D436-N439 PolarHBondContact OD1-ND2 2.98Å; D436-N439 PolarHBondContact OD2-ND2 2.7Å; D436-G440 WeakPolarHBondContact CA-O 3.2Å; D436-G440 WeakPolarHBondContact CB-O 3.27Å; D436-G440 PolarHBondContact N-O 3.44Å; D436-G440 PolarHBondContact O-N 2.87Å |
| 437 | P | 73.7 | Confident | 77.7 | Confident | 82 Ų | 82 | 40 Ų | 40 | 53% | 0.532 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.1 | 180 | -23.4 | 34.8 | 0 | 0 | 0 | 115.9 | K283 | K283-P437 HydrophobicContact CB-CB 4.31Š|
| 438 | V | 76.1 | Confident | 79.4 | Confident | 109 Ų | 109 | 39.8 Ų | 39.8 | 66% | 0.661 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111 | -38.7 | -178.4 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | C287 D436 | C287-V438 PolarHBondContact SG-O 2.76Å; D436-V438 PolarHBondContact O-N 2.78Å; D436-V438 VanDerWaalsContact O-N 3.17Å; D436-V438 WeakPolarHBondContact OD1-CA 3.27Å; D436-V438 WeakPolarHBondContact OD1-CB 3.18Å; D436-V438 PolarHBondContact OD1-N 3.26Å |
| 439 | N | 78.5 | Confident | 81.4 | Confident | 101 Ų | 101 | 42.6 Ų | 42.6 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -7.7 | -171.4 | -57.4 | -63.3 | 0 | 0 | 0 | 114.6 | D436 Q445 | D436-N439 HydrophobicContact CB-CB 3.96Å; D436-N439 VanDerWaalsContact CG-ND2 3.26Å; D436-N439 PolarHBondContact OD1-N 2.66Å; D436-N439 PolarHBondContact OD1-ND2 2.98Å; D436-N439 PolarHBondContact OD2-ND2 2.7Å; N439-Q445 VanDerWaalsContact O-CD 3.27Å; N439-Q445 WeakPolarHBondContact O-CG 3.32Å |
| 440 | G | 85 | Confident | 82.8 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.2 | -169.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | D288 D436 | D288-G440 VanDerWaalsContact OD1-CA 3.27Å; D288-G440 WeakPolarHBondContact OD1-CA 3.29Å; D436-G440 WeakPolarHBondContact CA-O 3.2Å; D436-G440 WeakPolarHBondContact CB-O 3.27Å; D436-G440 PolarHBondContact N-O 3.44Å; D436-G440 PolarHBondContact O-N 2.87Å |
| 441 | T | 88 | Confident | 84.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 145.5 | -178.3 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | D288 Q380 Y434 R435 Y443 I444 Q445 | D288-T441 VanDerWaalsContact CG-N 3.28Å; D288-T441 VanDerWaalsContact CG-OG1 3.3Å; D288-T441 PolarHBondContact OD1-N 2.89Å; D288-T441 WeakPolarHBondContact OD2-CB 3.43Å; D288-T441 WeakPolarHBondContact OD2-CG2 3.34Å; D288-T441 PolarHBondContact OD2-N 3.31Å; D288-T441 PolarHBondContact OD2-OG1 2.96Å; Q380-T441 HydrophobicContact CG-CG2 3.7Å; Q380-T441 WeakPolarHBondContact CG-OG1 3.18Å; Q380-T441 PolarHBondContact OE1-OG1 3.33Å; Y434-T441 WeakPolarHBondContact O-CA 3.38Å; Y434-T441 WeakPolarHBondContact O-CB 3.48Å; R435-T441 HydrophobicContact CB-CG2 3.65Å; R435-T441 HydrophobicContact CG-CG2 3.78Å; T441-Y443 PolarHBondContact O-N 3.32Å; T441-I444 PolarHBondContact O-N 2.84Å; T441-I444 WeakPolarHBondContact OG1-CB 3.43Å; T441-I444 WeakPolarHBondContact OG1-CG1 3.27Å; T441-I444 PolarHBondContact OG1-N 3.45Å; T441-Q445 WeakPolarHBondContact O-CB 3.09Å; T441-Q445 VanDerWaalsContact O-CG 3.26Å; T441-Q445 WeakPolarHBondContact O-CG 3.3Å; T441-Q445 PolarHBondContact O-N 3.05Å |
| 442 | W | 90.5 | Very high | 86.6 | Confident | 47 Ų | 47 | 36.5 Ų | 36.5 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.3 | -39.6 | -178.9 | -70.4 | -2.6 | 0 | 0 | 0 | 112.8 | Y434 S446 V472 K475 D477 Q484 | Y434-W442 HydrophobicContact CD1-CH2 4.02Å; Y434-W442 HydrophobicContact CD1-CZ2 4.34Å; Y434-W442 HydrophobicContact CD1-CZ3 4.4Å; Y434-W442 AromaticContact CD2-CE3 3.86Å; Y434-W442 HydrophobicContact CD2-CE3 3.86Å; Y434-W442 AromaticContact CD2-CH2 3.92Å; Y434-W442 HydrophobicContact CD2-CH2 3.92Å; Y434-W442 AromaticContact CD2-CZ3 3.46Å; Y434-W442 HydrophobicContact CD2-CZ3 3.46Å; Y434-W442 VanDerWaalsContact CD2-CZ3 3.46Å; Y434-W442 HydrophobicContact CE2-CH2 4.43Å; Y434-W442 HydrophobicContact CE2-CZ3 4.07Å; Y434-W442 HydrophobicContact CG-CD2 4.31Å; Y434-W442 AromaticContact CG-CE3 3.97Å; Y434-W442 HydrophobicContact CG-CE3 3.97Å; Y434-W442 AromaticContact CG-CH2 3.69Å; Y434-W442 HydrophobicContact CG-CH2 3.69Å; Y434-W442 HydrophobicContact CG-CZ2 4.09Å; Y434-W442 AromaticContact CG-CZ3 3.65Å; Y434-W442 HydrophobicContact CG-CZ3 3.65Å; Y434-W442 PolarHBondContact O-N 2.69Å; W442-S446 VanDerWaalsContact O-CB 3.31Å; W442-S446 WeakPolarHBondContact O-CB 3.4Å; W442-S446 PolarHBondContact O-N 2.81Å; W442-S446 VanDerWaalsContact O-N 3.16Å; W442-S446 PolarHBondContact O-OG 2.95Å; W442-V472 HydrophobicContact CB-CG1 4.4Å; W442-K475 HydrophobicContact CB-CD 3.68Å; W442-K475 HydrophobicContact CD2-CB 3.85Å; W442-K475 HydrophobicContact CD2-CD 3.79Å; W442-K475 HydrophobicContact CD2-CG 4.42Å; W442-K475 HydrophobicContact CE3-CB 3.65Å; W442-K475 HydrophobicContact CE3-CD 4.21Å; W442-K475 HydrophobicContact CG-CD 3.54Å; W442-K475 HydrophobicContact CH2-CB 4.28Å; W442-K475 HydrophobicContact CZ2-CB 4.42Å; W442-K475 HydrophobicContact CZ3-CB 3.88Å; W442-D477 HydrophobicContact CH2-CB 4.12Å; W442-Q484 HydrophobicContact CE3-CB 4.01Å; W442-Q484 HydrophobicContact CZ3-CB 4.19Å |
| 443 | Y | 94.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.4 | -51.4 | 179.9 | 177.8 | -115.7 | 0 | 0 | 0 | 112.3 | G424 A426 T441 Q445 S446 L447 V468 P486 | G424-Y443 WeakPolarHBondContact CA-OH 3.4Å; G424-Y443 PolarHBondContact O-OH 2.88Å; A426-Y443 HydrophobicContact CB-CD1 3.48Å; A426-Y443 VanDerWaalsContact CB-CD1 3.48Å; A426-Y443 HydrophobicContact CB-CE1 4.22Å; A426-Y443 HydrophobicContact CB-CG 3.65Å; T441-Y443 PolarHBondContact O-N 3.32Å; Y443-Q445 PolarHBondContact O-N 2.77Å; Y443-S446 PolarHBondContact O-N 2.67Å; Y443-L447 HydrophobicContact CE1-CD2 4.27Å; Y443-L447 WeakPolarHBondContact O-CB 3.42Å; Y443-L447 PolarHBondContact O-N 3.41Å; Y443-V468 HydrophobicContact CD2-CG1 3.72Å; Y443-V468 HydrophobicContact CE2-CG1 3.72Å; Y443-P486 HydrophobicContact CD2-CB 3.66Å; Y443-P486 HydrophobicContact CD2-CG 3.68Å; Y443-P486 HydrophobicContact CE2-CB 3.71Å; Y443-P486 HydrophobicContact CE2-CG 4.2Å |
| 444 | I | 96.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69 | -37.5 | -176.1 | -61.6 | -61.5 | 0 | 0 | 0 | 111.6 | D288 L292 L337 Q380 T441 L447 C448 | D288-I444 HydrophobicContact CB-CB 4.09Å; D288-I444 HydrophobicContact CB-CG1 4.42Å; D288-I444 HydrophobicContact CB-CG2 3.73Å; L292-I444 HydrophobicContact CD1-CD1 4.26Å; L292-I444 HydrophobicContact CD1-CG2 3.85Å; L292-I444 HydrophobicContact CD2-CD1 4.37Å; L292-I444 HydrophobicContact CD2-CG2 3.94Å; L292-I444 HydrophobicContact CG-CG2 3.59Å; L337-I444 HydrophobicContact CD2-CD1 4.07Å; L337-I444 HydrophobicContact CD2-CG1 3.93Å; Q380-I444 HydrophobicContact CB-CD1 3.97Å; Q380-I444 HydrophobicContact CB-CG1 3.8Å; Q380-I444 HydrophobicContact CG-CG1 3.83Å; T441-I444 PolarHBondContact O-N 2.84Å; T441-I444 WeakPolarHBondContact OG1-CB 3.43Å; T441-I444 WeakPolarHBondContact OG1-CG1 3.27Å; T441-I444 PolarHBondContact OG1-N 3.45Å; I444-L447 HydrophobicContact CD1-CD2 4.38Å; I444-L447 PolarHBondContact O-N 3.4Å; I444-C448 WeakPolarHBondContact O-CB 3.37Å; I444-C448 PolarHBondContact O-N 2.59Å; I444-C448 PolarHBondContact O-SG 3.27Å |
| 445 | Q | 96.4 | Very high | 90.4 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -45 | 177.1 | -63.1 | -57.9 | -41 | 0 | 0 | 111.7 | C287 D288 N439 T441 Y443 C448 Q449 | C287-Q445 PolarHBondContact O-NE2 3.42Å; D288-Q445 PolarHBondContact OD1-NE2 3.43Å; N439-Q445 VanDerWaalsContact O-CD 3.27Å; N439-Q445 WeakPolarHBondContact O-CG 3.32Å; T441-Q445 WeakPolarHBondContact O-CB 3.09Å; T441-Q445 VanDerWaalsContact O-CG 3.26Å; T441-Q445 WeakPolarHBondContact O-CG 3.3Å; T441-Q445 PolarHBondContact O-N 3.05Å; Y443-Q445 PolarHBondContact O-N 2.77Å; Q445-C448 PolarHBondContact O-N 2.88Å; Q445-Q449 WeakPolarHBondContact O-CB 3.25Å; Q445-Q449 PolarHBondContact O-N 3.4Å |
| 446 | S | 96.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 172.6 | -81.5 | 0 | 0 | 0 | 0 | 111.6 | W442 Y443 C448 Q449 S450 D471 K475 | W442-S446 VanDerWaalsContact O-CB 3.31Å; W442-S446 WeakPolarHBondContact O-CB 3.4Å; W442-S446 PolarHBondContact O-N 2.81Å; W442-S446 VanDerWaalsContact O-N 3.16Å; W442-S446 PolarHBondContact O-OG 2.95Å; Y443-S446 PolarHBondContact O-N 2.67Å; S446-C448 PolarHBondContact O-N 3.05Å; S446-Q449 PolarHBondContact O-N 2.99Å; S446-S450 WeakPolarHBondContact O-CB 3.35Å; S446-S450 PolarHBondContact O-N 2.76Å; S446-S450 PolarHBondContact O-OG 2.6Å; S446-D471 WeakPolarHBondContact OG-CB 3.45Å; S446-K475 VanDerWaalsContact OG-CE 3.22Å; S446-K475 WeakPolarHBondContact OG-CE 3.34Å |
| 447 | L | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56 | -50.5 | 176.1 | 178 | 63.8 | 0 | 0 | 0 | 112.4 | F378 Y443 I444 Q449 L451 L465 V468 | F378-L447 HydrophobicContact CB-CD2 4.38Å; F378-L447 HydrophobicContact CD1-CD2 3.6Å; F378-L447 HydrophobicContact CD2-CD2 4.22Å; F378-L447 HydrophobicContact CE1-CD1 4.08Å; F378-L447 HydrophobicContact CE1-CD2 3.83Å; F378-L447 HydrophobicContact CE2-CD2 4.42Å; F378-L447 HydrophobicContact CG-CD2 3.8Å; F378-L447 HydrophobicContact CZ-CD1 4.34Å; F378-L447 HydrophobicContact CZ-CD2 4.23Å; Y443-L447 HydrophobicContact CE1-CD2 4.27Å; Y443-L447 WeakPolarHBondContact O-CB 3.42Å; Y443-L447 PolarHBondContact O-N 3.41Å; I444-L447 HydrophobicContact CD1-CD2 4.38Å; I444-L447 PolarHBondContact O-N 3.4Å; L447-Q449 VanDerWaalsContact C-N 3.31Å; L447-Q449 PolarHBondContact O-N 2.91Å; L447-L451 HydrophobicContact CD1-CD1 3.83Å; L447-L451 HydrophobicContact CD1-CG 4.11Å; L447-L451 HydrophobicContact CG-CD1 3.88Å; L447-L451 VanDerWaalsContact O-CB 3.29Å; L447-L451 WeakPolarHBondContact O-CB 3.49Å; L447-L451 VanDerWaalsContact O-CG 3.24Å; L447-L451 WeakPolarHBondContact O-CG 3.21Å; L447-L451 PolarHBondContact O-N 3.36Å; L447-L465 HydrophobicContact CD1-CD2 3.82Å; L447-V468 HydrophobicContact CB-CG1 4.47Å; L447-V468 HydrophobicContact CB-CG2 4.35Å; L447-V468 HydrophobicContact CD1-CG2 4.2Å |
| 448 | C | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -32.5 | 179 | -67 | 0 | 0 | 0 | 0 | 112.7 | A291 T295 I444 Q445 S446 R452 | A291-C448 VanDerWaalsContact C-SG 3.52Å; A291-C448 HydrophobicContact CB-CB 4.12Å; T295-C448 WeakPolarHBondContact OG1-CB 3.34Å; I444-C448 WeakPolarHBondContact O-CB 3.37Å; I444-C448 PolarHBondContact O-N 2.59Å; I444-C448 PolarHBondContact O-SG 3.27Å; Q445-C448 PolarHBondContact O-N 2.88Å; S446-C448 PolarHBondContact O-N 3.05Å; C448-R452 WeakPolarHBondContact O-CG 3.24Å; C448-R452 PolarHBondContact O-N 3.49Å; C448-R452 PolarHBondContact O-NE 2.95Å |
| 449 | Q | 96.7 | Very high | 93.8 | Very high | 89 Ų | 89 | 42 Ų | 42 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.8 | -57.9 | 173.4 | -176.2 | 175.8 | -4.1 | 0 | 0 | 110.8 | Q445 S446 L447 L451 R452 E453 | Q445-Q449 WeakPolarHBondContact O-CB 3.25Å; Q445-Q449 PolarHBondContact O-N 3.4Å; S446-Q449 PolarHBondContact O-N 2.99Å; L447-Q449 VanDerWaalsContact C-N 3.31Å; L447-Q449 PolarHBondContact O-N 2.91Å; Q449-L451 VanDerWaalsContact C-N 3.3Å; Q449-L451 PolarHBondContact O-N 3.45Å; Q449-R452 PolarHBondContact O-N 3.24Å; Q449-R452 VanDerWaalsContact O-N 3.16Å; Q449-E453 HydrophobicContact CG-CG 4.41Å; Q449-E453 WeakPolarHBondContact CG-OE1 3.48Å; Q449-E453 PolarHBondContact NE2-OE1 2.94Å; Q449-E453 WeakPolarHBondContact O-CG 3.31Å; Q449-E453 PolarHBondContact O-N 2.85Å |
| 450 | S | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | -177.4 | -46.9 | 0 | 0 | 0 | 0 | 111.9 | S446 R454 V468 D471 | S446-S450 WeakPolarHBondContact O-CB 3.35Å; S446-S450 PolarHBondContact O-N 2.76Å; S446-S450 PolarHBondContact O-OG 2.6Å; S450-R454 WeakPolarHBondContact O-CB 3.44Å; S450-R454 WeakPolarHBondContact O-CG 3.26Å; S450-R454 PolarHBondContact O-N 3.48Å; S450-V468 WeakPolarHBondContact OG-CG2 3.38Å; S450-D471 PolarHBondContact OG-OD2 2.91Å |
| 451 | L | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -52.5 | 174.4 | -78.5 | 168.6 | 0 | 0 | 0 | 112.1 | T295 F296 L299 L447 Q449 E453 R454 C455 I461 I464 F498 | T295-L451 HydrophobicContact CG2-CB 3.8Å; T295-L451 HydrophobicContact CG2-CD1 3.97Å; F296-L451 HydrophobicContact CE1-CD1 4.05Å; F296-L451 HydrophobicContact CE2-CD1 4.39Å; F296-L451 HydrophobicContact CZ-CD1 3.66Å; L299-L451 HydrophobicContact CD1-CD2 4.44Å; L447-L451 HydrophobicContact CD1-CD1 3.83Å; L447-L451 HydrophobicContact CD1-CG 4.11Å; L447-L451 HydrophobicContact CG-CD1 3.88Å; L447-L451 VanDerWaalsContact O-CB 3.29Å; L447-L451 WeakPolarHBondContact O-CB 3.49Å; L447-L451 VanDerWaalsContact O-CG 3.24Å; L447-L451 WeakPolarHBondContact O-CG 3.21Å; L447-L451 PolarHBondContact O-N 3.36Å; Q449-L451 VanDerWaalsContact C-N 3.3Å; Q449-L451 PolarHBondContact O-N 3.45Å; L451-E453 VanDerWaalsContact C-N 3.31Å; L451-E453 PolarHBondContact O-N 2.81Å; L451-R454 PolarHBondContact O-N 2.99Å; L451-C455 WeakPolarHBondContact O-CB 3.27Å; L451-C455 PolarHBondContact O-N 3.16Å; L451-C455 PolarHBondContact O-SG 3.08Å; L451-I461 HydrophobicContact CD2-CD1 3.74Å; L451-I464 HydrophobicContact CD2-CD1 4.21Å; L451-I464 HydrophobicContact CD2-CG2 4.16Å; L451-I464 HydrophobicContact CG-CG2 4.27Å; L451-F498 HydrophobicContact CD2-CD2 4.36Å |
| 452 | R | 95.8 | Very high | 95.7 | Very high | 86 Ų | 86 | 40.3 Ų | 40.3 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.3 | -32.6 | -177.6 | -71.4 | 179.7 | -63.1 | -169.6 | 2.3 | 113.1 | T295 E298 C448 Q449 P456 | T295-R452 HydrophobicContact CG2-CG 3.85Å; E298-R452 WeakPolarHBondContact OE2-CD 3.47Å; C448-R452 WeakPolarHBondContact O-CG 3.24Å; C448-R452 PolarHBondContact O-N 3.49Å; C448-R452 PolarHBondContact O-NE 2.95Å; Q449-R452 PolarHBondContact O-N 3.24Å; Q449-R452 VanDerWaalsContact O-N 3.16Å; R452-P456 VanDerWaalsContact O-CD 3.23Å; R452-P456 WeakPolarHBondContact O-CD 3.22Å; R452-P456 WeakPolarHBondContact O-CG 3.4Å |
| 453 | E | 95.2 | Very high | 96 | Very high | 96 Ų | 96 | 40.7 Ų | 40.7 | 45% | 0.449 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -77.8 | -40.6 | 178.4 | -70.4 | 174.6 | -174 | 0 | 0 | 112.4 | Q449 L451 Q457 | Q449-E453 HydrophobicContact CG-CG 4.41Å; Q449-E453 WeakPolarHBondContact CG-OE1 3.48Å; Q449-E453 PolarHBondContact NE2-OE1 2.94Å; Q449-E453 WeakPolarHBondContact O-CG 3.31Å; Q449-E453 PolarHBondContact O-N 2.85Å; L451-E453 VanDerWaalsContact C-N 3.31Å; L451-E453 PolarHBondContact O-N 2.81Å; E453-Q457 PolarHBondContact O-NE2 3.45Å |
| 454 | R | 95.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 40.6 Ų | 40.6 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -101.5 | -28.4 | -167.6 | -64.1 | 175 | 168.7 | -95.5 | 3.4 | 115.2 | S450 L451 P456 Q457 G458 D459 I464 | S450-R454 WeakPolarHBondContact O-CB 3.44Å; S450-R454 WeakPolarHBondContact O-CG 3.26Å; S450-R454 PolarHBondContact O-N 3.48Å; L451-R454 PolarHBondContact O-N 2.99Å; R454-P456 VanDerWaalsContact C-N 3.34Å; R454-Q457 WeakPolarHBondContact O-CA 3.39Å; R454-Q457 WeakPolarHBondContact O-CB 3.21Å; R454-Q457 PolarHBondContact O-N 2.77Å; R454-G458 PolarHBondContact O-N 3.44Å; R454-D459 HydrophobicContact CB-CB 3.92Å; R454-D459 WeakPolarHBondContact CB-OD2 3.12Å; R454-D459 VanDerWaalsContact CD-OD2 3.31Å; R454-D459 WeakPolarHBondContact CD-OD2 3.37Å; R454-D459 WeakPolarHBondContact CG-OD2 3.38Å; R454-D459 IonicContact CZ-OD2 2.67Å; R454-D459 IonicContact NE-OD2 2.85Å; R454-D459 IonicContact NH1-OD2 3.32Å; R454-D459 PolarHBondContact NH1-OD2 3.43Å; R454-D459 PolarHBondContact O-N 3.06Å; R454-I464 HydrophobicContact CB-CD1 4.04Å; R454-I464 HydrophobicContact CB-CG1 3.82Å |
| 455 | C | 95 | Very high | 96.1 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -58.2 | -40 | 173.6 | -69.3 | 0 | 0 | 0 | 0 | 112.9 | L299 L451 Q457 G458 I464 | L299-C455 HydrophobicContact CD2-CB 3.86Å; L451-C455 WeakPolarHBondContact O-CB 3.27Å; L451-C455 PolarHBondContact O-N 3.16Å; L451-C455 PolarHBondContact O-SG 3.08Å; C455-Q457 VanDerWaalsContact C-N 3.25Å; C455-Q457 PolarHBondContact O-N 3.21Å; C455-G458 PolarHBondContact O-N 3.44Å; C455-G458 VanDerWaalsContact O-N 3.15Å; C455-I464 WeakPolarHBondContact SG-CD1 3.21Å |
| 456 | P | 93.9 | Very high | 96 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 53% | 0.532 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -66.6 | -21.8 | 172.6 | -22.9 | 35.6 | 0 | 0 | 0 | 114.7 | R452 R454 G458 | R452-P456 VanDerWaalsContact O-CD 3.23Å; R452-P456 WeakPolarHBondContact O-CD 3.22Å; R452-P456 WeakPolarHBondContact O-CG 3.4Å; R454-P456 VanDerWaalsContact C-N 3.34Å; P456-G458 VanDerWaalsContact C-N 3.31Å |
| 457 | Q | 94.1 | Very high | 95.9 | Very high | 141 Ų | 141 | 42.8 Ų | 42.8 | 66% | 0.659 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -81.9 | -12.9 | 175.2 | -61.5 | 177.8 | 54.2 | 0 | 0 | 112.3 | E453 R454 C455 | E453-Q457 PolarHBondContact O-NE2 3.45Å; R454-Q457 WeakPolarHBondContact O-CA 3.39Å; R454-Q457 WeakPolarHBondContact O-CB 3.21Å; R454-Q457 PolarHBondContact O-N 2.77Å; C455-Q457 VanDerWaalsContact C-N 3.25Å; C455-Q457 PolarHBondContact O-N 3.21Å |
| 458 | G | 93.1 | Very high | 95.9 | Very high | 44 Ų | 44 | 42.8 Ų | 42.8 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 20.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | R454 C455 P456 F497 | R454-G458 PolarHBondContact O-N 3.44Å; C455-G458 PolarHBondContact O-N 3.44Å; C455-G458 VanDerWaalsContact O-N 3.15Å; P456-G458 VanDerWaalsContact C-N 3.31Å; G458-F497 WeakPolarHBondContact O-CD1 3.35Å; G458-F497 WeakPolarHBondContact O-CE1 3Å |
| 459 | D | 95.8 | Very high | 95.6 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | trans | -68.8 | 143.4 | 172.4 | -74.9 | 2.9 | 0 | 0 | 0 | 111.3 | R454 I464 F497 | R454-D459 HydrophobicContact CB-CB 3.92Å; R454-D459 WeakPolarHBondContact CB-OD2 3.12Å; R454-D459 VanDerWaalsContact CD-OD2 3.31Å; R454-D459 WeakPolarHBondContact CD-OD2 3.37Å; R454-D459 WeakPolarHBondContact CG-OD2 3.38Å; R454-D459 IonicContact CZ-OD2 2.67Å; R454-D459 IonicContact NE-OD2 2.85Å; R454-D459 IonicContact NH1-OD2 3.32Å; R454-D459 PolarHBondContact NH1-OD2 3.43Å; R454-D459 PolarHBondContact O-N 3.06Å; D459-I464 HydrophobicContact CB-CD1 4.1Å; D459-I464 HydrophobicContact CB-CG1 3.69Å; D459-F497 WeakPolarHBondContact O-CD1 3.24Å | ||
| 460 | D | 96.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | trans | -79.5 | 158.2 | 171.1 | 83.8 | 90.9 | 0 | 0 | 0 | 111.6 | L462 S463 I464 L496 F497 | D460-L462 VanDerWaalsContact C-N 3.26Å; D460-L462 PolarHBondContact O-N 2.68Å; D460-L462 VanDerWaalsContact O-N 3.16Å; D460-L462 WeakPolarHBondContact OD1-CA 3.27Å; D460-L462 VanDerWaalsContact OD1-CB 3.31Å; D460-L462 WeakPolarHBondContact OD1-CB 3.38Å; D460-L462 PolarHBondContact OD1-N 2.62Å; D460-S463 WeakPolarHBondContact O-CB 3.5Å; D460-S463 PolarHBondContact O-N 2.76Å; D460-S463 VanDerWaalsContact O-N 3.13Å; D460-S463 PolarHBondContact OD1-N 3.27Å; D460-S463 VanDerWaalsContact OD2-CB 3.31Å; D460-S463 WeakPolarHBondContact OD2-CB 3.47Å; D460-S463 PolarHBondContact OD2-OG 3.42Å; D460-I464 WeakPolarHBondContact O-CG1 2.99Å; D460-I464 PolarHBondContact O-N 3.06Å; D460-L496 CarbonylContact C-O 3.51Å; D460-L496 WeakPolarHBondContact CA-O 3.48Å; D460-F497 HydrophobicContact CB-CD1 3.89Å; D460-F497 HydrophobicContact CB-CE1 3.55Å; D460-F497 HydrophobicContact CB-CZ 3.91Å | ||
| 461 | I | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -30.3 | -174.5 | -164.3 | 51.2 | 0 | 0 | 0 | 114.6 | L422 L451 I464 L465 L492 L496 F498 | L422-I461 HydrophobicContact CD2-CB 4.31Å; L422-I461 HydrophobicContact CD2-CG1 3.59Å; L422-I461 HydrophobicContact CD2-CG2 3.69Å; L451-I461 HydrophobicContact CD2-CD1 3.74Å; I461-I464 HydrophobicContact CD1-CB 4.5Å; I461-L465 HydrophobicContact CD1-CD1 4.45Å; I461-L465 HydrophobicContact CD1-CG 4.39Å; I461-L465 HydrophobicContact CG1-CD1 4.02Å; I461-L465 HydrophobicContact CG1-CG 4.44Å; I461-L465 WeakPolarHBondContact O-CB 3.28Å; I461-L465 VanDerWaalsContact O-CG 3.24Å; I461-L465 WeakPolarHBondContact O-CG 3.5Å; I461-L465 PolarHBondContact O-N 3.38Å; I461-L492 HydrophobicContact CG2-CD1 4.12Å; I461-L496 HydrophobicContact CB-CG 4.49Å; I461-L496 HydrophobicContact CG2-CB 3.79Å; I461-L496 HydrophobicContact CG2-CD2 4.05Å; I461-L496 HydrophobicContact CG2-CG 4.11Å; I461-L496 PolarHBondContact N-O 3.26Å; I461-F498 HydrophobicContact CB-CE2 4.44Å; I461-F498 HydrophobicContact CD1-CE2 3.97Å; I461-F498 HydrophobicContact CG1-CE2 4.24Å |
| 462 | L | 96.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.5 | -38 | 179.8 | -57.3 | 179.4 | 0 | 0 | 0 | 110.4 | L422 D460 L465 T466 F490 L492 | L422-L462 HydrophobicContact CD1-CD2 3.97Å; D460-L462 VanDerWaalsContact C-N 3.26Å; D460-L462 PolarHBondContact O-N 2.68Å; D460-L462 VanDerWaalsContact O-N 3.16Å; D460-L462 WeakPolarHBondContact OD1-CA 3.27Å; D460-L462 VanDerWaalsContact OD1-CB 3.31Å; D460-L462 WeakPolarHBondContact OD1-CB 3.38Å; D460-L462 PolarHBondContact OD1-N 2.62Å; L462-L465 PolarHBondContact O-N 3.32Å; L462-T466 WeakPolarHBondContact O-CB 3.44Å; L462-T466 PolarHBondContact O-N 2.86Å; L462-T466 PolarHBondContact O-OG1 3.15Å; L462-F490 HydrophobicContact CD1-CD1 4.21Å; L462-F490 HydrophobicContact CD1-CD2 4.25Å; L462-F490 HydrophobicContact CD1-CE1 3.91Å; L462-F490 HydrophobicContact CD1-CE2 3.94Å; L462-F490 HydrophobicContact CD1-CG 4.38Å; L462-F490 HydrophobicContact CD1-CZ 3.77Å; L462-F490 HydrophobicContact CD2-CD1 3.71Å; L462-F490 HydrophobicContact CD2-CE1 4.05Å; L462-F490 HydrophobicContact CD2-CG 4.1Å; L462-L492 HydrophobicContact CD2-CD1 4.49Å |
| 463 | S | 96.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 169.1 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | D460 T466 G467 | D460-S463 WeakPolarHBondContact O-CB 3.5Å; D460-S463 PolarHBondContact O-N 2.76Å; D460-S463 VanDerWaalsContact O-N 3.13Å; D460-S463 PolarHBondContact OD1-N 3.27Å; D460-S463 VanDerWaalsContact OD2-CB 3.31Å; D460-S463 WeakPolarHBondContact OD2-CB 3.47Å; D460-S463 PolarHBondContact OD2-OG 3.42Å; S463-T466 WeakPolarHBondContact O-CB 3.49Å; S463-T466 PolarHBondContact O-N 3.22Å; S463-G467 PolarHBondContact O-N 3.07Å; S463-G467 VanDerWaalsContact O-N 3.08Å |
| 464 | I | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 175.5 | -63.7 | 176.1 | 0 | 0 | 0 | 111 | L451 R454 C455 D459 D460 I461 T466 G467 V468 | L451-I464 HydrophobicContact CD2-CD1 4.21Å; L451-I464 HydrophobicContact CD2-CG2 4.16Å; L451-I464 HydrophobicContact CG-CG2 4.27Å; R454-I464 HydrophobicContact CB-CD1 4.04Å; R454-I464 HydrophobicContact CB-CG1 3.82Å; C455-I464 WeakPolarHBondContact SG-CD1 3.21Å; D459-I464 HydrophobicContact CB-CD1 4.1Å; D459-I464 HydrophobicContact CB-CG1 3.69Å; D460-I464 WeakPolarHBondContact O-CG1 2.99Å; D460-I464 PolarHBondContact O-N 3.06Å; I461-I464 HydrophobicContact CD1-CB 4.5Å; I464-T466 VanDerWaalsContact C-N 3.27Å; I464-T466 PolarHBondContact O-N 3.4Å; I464-G467 CarbonylContact O-C 3.43Å; I464-G467 WeakPolarHBondContact O-CA 3.33Å; I464-G467 PolarHBondContact O-N 2.88Å; I464-V468 WeakPolarHBondContact O-CG2 3.24Å; I464-V468 PolarHBondContact O-N 2.82Å |
| 465 | L | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -27.7 | 178.9 | -74.9 | 167.8 | 0 | 0 | 0 | 113 | F378 L422 L447 I461 L462 V468 N469 P488 | F378-L465 HydrophobicContact CE1-CD2 4.21Å; L422-L465 HydrophobicContact CD1-CD1 3.97Å; L422-L465 HydrophobicContact CD2-CD1 3.94Å; L422-L465 HydrophobicContact CG-CD1 4.36Å; L447-L465 HydrophobicContact CD1-CD2 3.82Å; I461-L465 HydrophobicContact CD1-CD1 4.45Å; I461-L465 HydrophobicContact CD1-CG 4.39Å; I461-L465 HydrophobicContact CG1-CD1 4.02Å; I461-L465 HydrophobicContact CG1-CG 4.44Å; I461-L465 WeakPolarHBondContact O-CB 3.28Å; I461-L465 VanDerWaalsContact O-CG 3.24Å; I461-L465 WeakPolarHBondContact O-CG 3.5Å; I461-L465 PolarHBondContact O-N 3.38Å; L462-L465 PolarHBondContact O-N 3.32Å; L465-V468 PolarHBondContact O-N 3.05Å; L465-N469 WeakPolarHBondContact O-CB 3.4Å; L465-N469 PolarHBondContact O-N 3.42Å; L465-N469 PolarHBondContact O-OD1 3.38Å; L465-P488 HydrophobicContact CB-CG 4.43Å; L465-P488 HydrophobicContact CD1-CB 4.12Å |
| 466 | T | 94.4 | Very high | 92.7 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 56% | 0.564 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.8 | -37.3 | 170.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | L462 S463 I464 N469 Y470 | L462-T466 WeakPolarHBondContact O-CB 3.44Å; L462-T466 PolarHBondContact O-N 2.86Å; L462-T466 PolarHBondContact O-OG1 3.15Å; S463-T466 WeakPolarHBondContact O-CB 3.49Å; S463-T466 PolarHBondContact O-N 3.22Å; I464-T466 VanDerWaalsContact C-N 3.27Å; I464-T466 PolarHBondContact O-N 3.4Å; T466-N469 WeakPolarHBondContact O-CB 3.45Å; T466-N469 PolarHBondContact O-N 3.16Å; T466-Y470 PolarHBondContact O-N 3.04Å; T466-Y470 VanDerWaalsContact O-N 3.16Å |
| 467 | G | 94.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S463 I464 N469 Y470 D471 | S463-G467 PolarHBondContact O-N 3.07Å; S463-G467 VanDerWaalsContact O-N 3.08Å; I464-G467 CarbonylContact O-C 3.43Å; I464-G467 WeakPolarHBondContact O-CA 3.33Å; I464-G467 PolarHBondContact O-N 2.88Å; G467-N469 VanDerWaalsContact C-N 3.29Å; G467-N469 PolarHBondContact O-N 2.73Å; G467-Y470 WeakPolarHBondContact O-CB 3.47Å; G467-Y470 PolarHBondContact O-N 3.15Å; G467-Y470 VanDerWaalsContact O-N 3.11Å; G467-D471 PolarHBondContact O-N 3.09Å |
| 468 | V | 96.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | Y443 L447 S450 I464 L465 Y470 D471 V472 | Y443-V468 HydrophobicContact CD2-CG1 3.72Å; Y443-V468 HydrophobicContact CE2-CG1 3.72Å; L447-V468 HydrophobicContact CB-CG1 4.47Å; L447-V468 HydrophobicContact CB-CG2 4.35Å; L447-V468 HydrophobicContact CD1-CG2 4.2Å; S450-V468 WeakPolarHBondContact OG-CG2 3.38Å; I464-V468 WeakPolarHBondContact O-CG2 3.24Å; I464-V468 PolarHBondContact O-N 2.82Å; L465-V468 PolarHBondContact O-N 3.05Å; V468-Y470 VanDerWaalsContact C-N 3.34Å; V468-Y470 PolarHBondContact O-N 3.39Å; V468-D471 PolarHBondContact O-N 2.9Å; V468-V472 HydrophobicContact CG1-CG2 4.18Å; V468-V472 WeakPolarHBondContact O-CB 3.44Å; V468-V472 VanDerWaalsContact O-CG2 3.29Å; V468-V472 WeakPolarHBondContact O-CG2 3.4Å; V468-V472 PolarHBondContact O-N 3.12Å |
| 469 | N | 91.8 | Very high | 89.9 | Confident | 31 Ų | 31 | 59 Ų | 59 | 17% | 0.166 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 174.5 | -82.4 | 1.5 | 0 | 0 | 0 | 111.4 | L465 T466 G467 S473 M485 P486 | L465-N469 WeakPolarHBondContact O-CB 3.4Å; L465-N469 PolarHBondContact O-N 3.42Å; L465-N469 PolarHBondContact O-OD1 3.38Å; T466-N469 WeakPolarHBondContact O-CB 3.45Å; T466-N469 PolarHBondContact O-N 3.16Å; G467-N469 VanDerWaalsContact C-N 3.29Å; G467-N469 PolarHBondContact O-N 2.73Å; N469-S473 WeakPolarHBondContact O-CB 3.35Å; N469-S473 PolarHBondContact O-N 3.4Å; N469-S473 PolarHBondContact O-OG 3.17Å; N469-M485 HydrophobicContact CB-CE 3.56Å; N469-P486 WeakPolarHBondContact OD1-CB 3.13Å; N469-P486 PolarHBondContact OD1-O 2.99Å |
| 470 | Y | 91.8 | Very high | 88.7 | Confident | 155 Ų | 155 | 61.7 Ų | 61.7 | 61% | 0.608 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 176.4 | -179.1 | -94.5 | 0 | 0 | 0 | 112.6 | T466 G467 V468 V472 S473 N474 | T466-Y470 PolarHBondContact O-N 3.04Å; T466-Y470 VanDerWaalsContact O-N 3.16Å; G467-Y470 WeakPolarHBondContact O-CB 3.47Å; G467-Y470 PolarHBondContact O-N 3.15Å; G467-Y470 VanDerWaalsContact O-N 3.11Å; V468-Y470 VanDerWaalsContact C-N 3.34Å; V468-Y470 PolarHBondContact O-N 3.39Å; Y470-V472 VanDerWaalsContact C-N 3.34Å; Y470-V472 PolarHBondContact O-N 3.49Å; Y470-S473 PolarHBondContact O-N 2.92Å; Y470-S473 PolarHBondContact O-OG 3.31Å; Y470-S473 VanDerWaalsContact O-OG 3.08Å; Y470-N474 WeakPolarHBondContact CD1-ND2 3.44Å; Y470-N474 VanDerWaalsContact CE1-ND2 3.27Å; Y470-N474 WeakPolarHBondContact CE1-ND2 3.5Å; Y470-N474 VanDerWaalsContact CZ-ND2 3.31Å; Y470-N474 PolarHBondContact O-N 3.34Å; Y470-N474 VanDerWaalsContact O-N 3.12Å; Y470-N474 PolarHBondContact O-ND2 2.73Å |
| 471 | D | 93.1 | Very high | 87.7 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | -179 | -70.2 | -17.6 | 0 | 0 | 0 | 112.1 | S446 S450 G467 V468 K475 | S446-D471 WeakPolarHBondContact OG-CB 3.45Å; S450-D471 PolarHBondContact OG-OD2 2.91Å; G467-D471 PolarHBondContact O-N 3.09Å; V468-D471 PolarHBondContact O-N 2.9Å; D471-K475 WeakPolarHBondContact O-CE 3.5Å; D471-K475 WeakPolarHBondContact O-CG 3.35Å |
| 472 | V | 89.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.1 | -37.9 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | W442 V468 Y470 N474 K475 Q484 P486 | W442-V472 HydrophobicContact CB-CG1 4.4Å; V468-V472 HydrophobicContact CG1-CG2 4.18Å; V468-V472 WeakPolarHBondContact O-CB 3.44Å; V468-V472 VanDerWaalsContact O-CG2 3.29Å; V468-V472 WeakPolarHBondContact O-CG2 3.4Å; V468-V472 PolarHBondContact O-N 3.12Å; Y470-V472 VanDerWaalsContact C-N 3.34Å; Y470-V472 PolarHBondContact O-N 3.49Å; V472-N474 PolarHBondContact O-N 3.26Å; V472-K475 WeakPolarHBondContact O-CB 3.24Å; V472-K475 PolarHBondContact O-N 2.83Å; V472-Q484 HydrophobicContact CG1-CB 3.77Å; V472-Q484 HydrophobicContact CG1-CG 3.7Å; V472-P486 HydrophobicContact CB-CG 3.67Å; V472-P486 HydrophobicContact CG1-CG 3.71Å; V472-P486 HydrophobicContact CG2-CG 3.91Å |
| 473 | S | 86.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.6 | -25.5 | 176.6 | 74.7 | 0 | 0 | 0 | 0 | 112.5 | N469 Y470 K483 | N469-S473 WeakPolarHBondContact O-CB 3.35Å; N469-S473 PolarHBondContact O-N 3.4Å; N469-S473 PolarHBondContact O-OG 3.17Å; Y470-S473 PolarHBondContact O-N 2.92Å; Y470-S473 PolarHBondContact O-OG 3.31Å; Y470-S473 VanDerWaalsContact O-OG 3.08Å; S473-K483 WeakPolarHBondContact O-CE 3.32Å; S473-K483 PolarHBondContact O-NZ 3.05Å |
| 474 | N | 85.2 | Confident | 85.1 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -76.2 | -22.6 | 173 | -80.3 | -62 | 0 | 0 | 0 | 114.2 | Y470 V472 K483 | Y470-N474 WeakPolarHBondContact CD1-ND2 3.44Å; Y470-N474 VanDerWaalsContact CE1-ND2 3.27Å; Y470-N474 WeakPolarHBondContact CE1-ND2 3.5Å; Y470-N474 VanDerWaalsContact CZ-ND2 3.31Å; Y470-N474 PolarHBondContact O-N 3.34Å; Y470-N474 VanDerWaalsContact O-N 3.12Å; Y470-N474 PolarHBondContact O-ND2 2.73Å; V472-N474 PolarHBondContact O-N 3.26Å; N474-K483 PolarHBondContact O-NZ 2.9Å |
| 475 | K | 85.4 | Confident | 84.8 | Confident | 69 Ų | 69 | 70 Ų | 70 | 30% | 0.3 | 32% | 0.324 | S | S | . | . | trans | -71.9 | 148.7 | 177 | -63.2 | 168.5 | -157.7 | -66.5 | 0 | 111.3 | W442 S446 D471 V472 K483 | W442-K475 HydrophobicContact CB-CD 3.68Å; W442-K475 HydrophobicContact CD2-CB 3.85Å; W442-K475 HydrophobicContact CD2-CD 3.79Å; W442-K475 HydrophobicContact CD2-CG 4.42Å; W442-K475 HydrophobicContact CE3-CB 3.65Å; W442-K475 HydrophobicContact CE3-CD 4.21Å; W442-K475 HydrophobicContact CG-CD 3.54Å; W442-K475 HydrophobicContact CH2-CB 4.28Å; W442-K475 HydrophobicContact CZ2-CB 4.42Å; W442-K475 HydrophobicContact CZ3-CB 3.88Å; S446-K475 VanDerWaalsContact OG-CE 3.22Å; S446-K475 WeakPolarHBondContact OG-CE 3.34Å; D471-K475 WeakPolarHBondContact O-CE 3.5Å; D471-K475 WeakPolarHBondContact O-CG 3.35Å; V472-K475 WeakPolarHBondContact O-CB 3.24Å; V472-K475 PolarHBondContact O-N 2.83Å; K475-K483 WeakPolarHBondContact O-CE 3.49Å; K475-K483 PolarHBondContact O-NZ 3.43Å | ||
| 476 | D | 79 | Confident | 84.5 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | trans | -140.4 | 136.4 | -177 | 75.6 | -68.6 | 0 | 0 | 0 | 112.9 | R478 K483 | D476-R478 PolarHBondContact O-N 3.31Å; D476-R478 IonicContact OD1-NE 3.95Å; D476-R478 WeakPolarHBondContact OD2-CG 3.45Å; D476-R478 IonicContact OD2-NE 3.65Å; D476-K483 HydrophobicContact CB-CD 4.23Å | ||
| 477 | D | 74.9 | Confident | 84.3 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -89.1 | 94.3 | 168.4 | 174 | 14.2 | 0 | 0 | 0 | 108.7 | Y434 W442 R479 N480 K481 G482 | Y434-D477 HydrophobicContact CD1-CB 4.12Å; Y434-D477 HydrophobicContact CE1-CB 3.49Å; Y434-D477 VanDerWaalsContact CE1-CB 3.49Å; Y434-D477 WeakPolarHBondContact CE1-OD2 3.4Å; W442-D477 HydrophobicContact CH2-CB 4.12Å; D477-R479 PolarHBondContact O-N 3.43Å; D477-R479 WeakPolarHBondContact OD1-CB 3.41Å; D477-R479 PolarHBondContact OD1-N 3.03Å; D477-N480 PolarHBondContact O-N 2.8Å; D477-N480 WeakPolarHBondContact OD2-CB 3.38Å; D477-N480 PolarHBondContact OD2-ND2 3.31Å; D477-K481 VanDerWaalsContact O-CA 3.24Å; D477-K481 WeakPolarHBondContact O-CA 3.41Å; D477-K481 PolarHBondContact O-N 3.43Å; D477-G482 PolarHBondContact N-O 2.78Å; D477-G482 PolarHBondContact O-N 2.8Å |
| 478 | R | 75.1 | Confident | 84.1 | Confident | 210 Ų | 210 | 70.7 Ų | 70.7 | 79% | 0.792 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22.8 | 178.1 | -66 | -178.7 | -176.7 | -176.6 | 1.8 | 114.4 | D476 | D476-R478 PolarHBondContact O-N 3.31Å; D476-R478 IonicContact OD1-NE 3.95Å; D476-R478 WeakPolarHBondContact OD2-CG 3.45Å; D476-R478 IonicContact OD2-NE 3.65Å |
| 479 | R | 71.9 | Confident | 83.8 | Confident | 230 Ų | 230 | 74.3 Ų | 74.3 | 87% | 0.868 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -45.6 | -178.8 | -61.7 | -178.9 | 177.2 | 176.6 | 1 | 111.7 | D477 | D477-R479 PolarHBondContact O-N 3.43Å; D477-R479 WeakPolarHBondContact OD1-CB 3.41Å; D477-R479 PolarHBondContact OD1-N 3.03Å |
| 480 | N | 71 | Confident | 83.9 | Confident | 97 Ų | 97 | 78 Ų | 78 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 2.7 | -177.7 | -58.1 | -64.8 | 0 | 0 | 0 | 113.5 | D477 G482 | D477-N480 PolarHBondContact O-N 2.8Å; D477-N480 WeakPolarHBondContact OD2-CB 3.38Å; D477-N480 PolarHBondContact OD2-ND2 3.31Å; N480-G482 PolarHBondContact O-N 2.7Å |
| 481 | K | 74.3 | Confident | 83.6 | Confident | 186 Ų | 186 | 73.5 Ų | 73.5 | 81% | 0.809 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 32.7 | -169.1 | -58.8 | -177.2 | 178.1 | -178 | 0 | 112.8 | D477 | D477-K481 VanDerWaalsContact O-CA 3.24Å; D477-K481 WeakPolarHBondContact O-CA 3.41Å; D477-K481 PolarHBondContact O-N 3.43Å |
| 482 | G | 73.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -89.8 | 146.2 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y434 D477 N480 | Y434-G482 WeakPolarHBondContact OH-CA 3.48Å; D477-G482 PolarHBondContact N-O 2.78Å; D477-G482 PolarHBondContact O-N 2.8Å; N480-G482 PolarHBondContact O-N 2.7Å |
| 483 | K | 82.3 | Confident | 83.7 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 23% | 0.226 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -116 | 163.6 | 173 | -58 | -65.4 | -71.6 | 174.6 | 0 | 109.8 | Q388 S473 N474 K475 D476 | Q388-K483 HydrophobicContact CB-CB 4.44Å; Q388-K483 WeakPolarHBondContact CB-O 3.32Å; Q388-K483 PolarHBondContact O-N 3.22Å; S473-K483 WeakPolarHBondContact O-CE 3.32Å; S473-K483 PolarHBondContact O-NZ 3.05Å; N474-K483 PolarHBondContact O-NZ 2.9Å; K475-K483 WeakPolarHBondContact O-CE 3.49Å; K475-K483 PolarHBondContact O-NZ 3.43Å; D476-K483 HydrophobicContact CB-CD 4.23Å |
| 484 | Q | 81.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.009 | 36% | 0.363 | C | S | . | . | trans | -128.8 | 141.1 | 171.5 | -176.6 | 173.4 | -19.9 | 0 | 0 | 108.7 | A426 Y434 W442 V472 | A426-Q484 PolarHBondContact O-NE2 2.93Å; Y434-Q484 HydrophobicContact CD2-CB 3.95Å; Y434-Q484 HydrophobicContact CE2-CB 4.32Å; W442-Q484 HydrophobicContact CE3-CB 4.01Å; W442-Q484 HydrophobicContact CZ3-CB 4.19Å; V472-Q484 HydrophobicContact CG1-CB 3.77Å; V472-Q484 HydrophobicContact CG1-CG 3.7Å | ||
| 485 | M | 92.4 | Very high | 84.6 | Confident | 58 Ų | 58 | 78.9 Ų | 78.9 | 29% | 0.286 | 36% | 0.357 | S | S | . | . | trans | -134.6 | 103.2 | 178.7 | -170.6 | 66.6 | -118.4 | 0 | 0 | 107.9 | T427 V428 N469 | T427-M485 CarbonylContact C-O 3.48Å; T427-M485 VanDerWaalsContact CA-O 3.27Å; T427-M485 WeakPolarHBondContact CA-O 3.33Å; V428-M485 HydrophobicContact CG1-CB 4.21Å; V428-M485 HydrophobicContact CG1-CG 4.23Å; V428-M485 PolarHBondContact N-O 3.08Å; N469-M485 HydrophobicContact CB-CE 3.56Å | ||
| 486 | P | 89.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | trans | -65.5 | 157.7 | 173.9 | -15 | 28.7 | 0 | 0 | 0 | 111.2 | M425 A426 Y443 N469 V472 | M425-P486 WeakPolarHBondContact O-CA 3.04Å; M425-P486 WeakPolarHBondContact O-CB 3.25Å; A426-P486 WeakPolarHBondContact O-CA 3.43Å; Y443-P486 HydrophobicContact CD2-CB 3.66Å; Y443-P486 HydrophobicContact CD2-CG 3.68Å; Y443-P486 HydrophobicContact CE2-CB 3.71Å; Y443-P486 HydrophobicContact CE2-CG 4.2Å; N469-P486 WeakPolarHBondContact OD1-CB 3.13Å; N469-P486 PolarHBondContact OD1-O 2.99Å; V472-P486 HydrophobicContact CB-CG 3.67Å; V472-P486 HydrophobicContact CG1-CG 3.71Å; V472-P486 HydrophobicContact CG2-CG 3.91Å | ||
| 487 | Q | 89.4 | Confident | 86.1 | Confident | 77 Ų | 77 | 74.9 Ų | 74.9 | 36% | 0.36 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 100 | -176.7 | -174 | 179.7 | -9.4 | 0 | 0 | 110.4 | M425 V428 | M425-Q487 VanDerWaalsContact CB-O 3.31Å; M425-Q487 WeakPolarHBondContact CB-O 3.48Å; M425-Q487 PolarHBondContact N-O 3.03Å; M425-Q487 VanDerWaalsContact N-O 3.17Å; M425-Q487 PolarHBondContact O-N 3.22Å; V428-Q487 HydrophobicContact CG1-CB 4.11Å |
| 488 | P | 91.3 | Very high | 87 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 146.1 | 167.5 | 31.6 | -33.4 | 0 | 0 | 0 | 111.3 | L422 L423 L465 | L422-P488 HydrophobicContact CD1-CB 4.45Å; L423-P488 CarbonylContact O-C 3.58Å; L423-P488 WeakPolarHBondContact O-CA 3.13Å; L465-P488 HydrophobicContact CB-CG 4.43Å; L465-P488 HydrophobicContact CD1-CB 4.12Å |
| 489 | T | 88.9 | Confident | 87.7 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.3 | 169.6 | -58.3 | 0 | 0 | 0 | 0 | 108 | L423 | L423-T489 PolarHBondContact N-O 2.79Å; L423-T489 PolarHBondContact O-N 3.11Å |
| 490 | F | 93.9 | Very high | 87.9 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 152.2 | -174.5 | 63.2 | -90.3 | 0 | 0 | 0 | 114.3 | F421 L422 L462 L492 | F421-F490 CarbonylContact O-C 3.43Å; F421-F490 WeakPolarHBondContact O-CA 3.29Å; L422-F490 HydrophobicContact CD1-CB 3.88Å; L462-F490 HydrophobicContact CD1-CD1 4.21Å; L462-F490 HydrophobicContact CD1-CD2 4.25Å; L462-F490 HydrophobicContact CD1-CE1 3.91Å; L462-F490 HydrophobicContact CD1-CE2 3.94Å; L462-F490 HydrophobicContact CD1-CG 4.38Å; L462-F490 HydrophobicContact CD1-CZ 3.77Å; L462-F490 HydrophobicContact CD2-CD1 3.71Å; L462-F490 HydrophobicContact CD2-CE1 4.05Å; L462-F490 HydrophobicContact CD2-CG 4.1Å; F490-L492 HydrophobicContact CB-CG 4.17Å; F490-L492 HydrophobicContact CD2-CB 4.21Å |
| 491 | T | 86.8 | Confident | 88.7 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | trans | -121.3 | 22.7 | 167 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | E418 D420 F421 | E418-T491 WeakPolarHBondContact O-CB 3.24Å; E418-T491 PolarHBondContact O-OG1 2.72Å; D420-T491 PolarHBondContact N-O 2.87Å; D420-T491 PolarHBondContact N-OG1 2.94Å; F421-T491 PolarHBondContact N-OG1 3.37Å; F421-T491 PolarHBondContact O-N 3.37Å | ||
| 492 | L | 92.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | trans | -60.4 | 133 | 174.5 | -63.1 | -178.1 | 0 | 0 | 0 | 111 | Y248 P374 F421 L422 I461 L462 F490 L496 | Y248-L492 HydrophobicContact CE2-CB 4.22Å; Y248-L492 HydrophobicContact CE2-CD2 3.84Å; Y248-L492 HydrophobicContact CE2-CG 4.46Å; Y248-L492 WeakPolarHBondContact OH-CA 3.47Å; P374-L492 HydrophobicContact CB-CD2 4.28Å; F421-L492 PolarHBondContact O-N 2.91Å; L422-L492 HydrophobicContact CB-CD1 4.14Å; L422-L492 HydrophobicContact CB-CD2 4.3Å; L422-L492 HydrophobicContact CB-CG 4.22Å; L422-L492 HydrophobicContact CD2-CD1 4.27Å; I461-L492 HydrophobicContact CG2-CD1 4.12Å; L462-L492 HydrophobicContact CD2-CD1 4.49Å; F490-L492 HydrophobicContact CB-CG 4.17Å; F490-L492 HydrophobicContact CD2-CB 4.21Å; L492-L496 HydrophobicContact CD1-CB 4.29Å; L492-L496 HydrophobicContact CD1-CD2 4.21Å; L492-L496 HydrophobicContact CD2-CD2 4.47Å | ||
| 493 | R | 92.3 | Very high | 90.4 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | trans | -106.8 | 2.5 | -177.8 | -58 | 178.4 | -63.1 | 144.3 | -1.7 | 113.7 | Y248 I415 D420 | Y248-R493 PolarHBondContact OH-N 3.35Å; I415-R493 VanDerWaalsContact CD1-NH2 3.35Å; D420-R493 IonicContact OD1-CZ 2.89Å; D420-R493 IonicContact OD1-NE 3.43Å; D420-R493 PolarHBondContact OD1-NE 3.48Å; D420-R493 IonicContact OD1-NH2 2.69Å; D420-R493 PolarHBondContact OD1-NH2 3.27Å; D420-R493 IonicContact OD2-CZ 3.37Å; D420-R493 IonicContact OD2-NE 3.38Å; D420-R493 IonicContact OD2-NH2 2.92Å; D420-R493 PolarHBondContact OD2-NH2 3.21Å | ||
| 494 | K | 93.9 | Very high | 90.9 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -149.3 | 155 | -175.4 | -62 | -173.3 | -171.5 | 172.4 | 0 | 109.1 | K246 V247 Y248 | K246-K494 HydrophobicContact CB-CB 4.49Å; K246-K494 HydrophobicContact CB-CD 4.34Å; K246-K494 HydrophobicContact CB-CG 3.92Å; K246-K494 CarbonylContact O-C 3.52Å; K246-K494 WeakPolarHBondContact O-CA 3.48Å; K246-K494 WeakPolarHBondContact O-CB 3.37Å; V247-K494 WeakPolarHBondContact O-CD 3.38Å; Y248-K494 HydrophobicContact CD1-CB 4.16Å; Y248-K494 HydrophobicContact CD1-CD 3.95Å; Y248-K494 HydrophobicContact CD1-CG 4.43Å; Y248-K494 HydrophobicContact CD2-CB 3.65Å; Y248-K494 HydrophobicContact CE1-CB 4.12Å; Y248-K494 HydrophobicContact CE1-CD 4.16Å; Y248-K494 HydrophobicContact CE1-CG 4.28Å; Y248-K494 HydrophobicContact CE2-CB 3.63Å; Y248-K494 WeakPolarHBondContact CE2-O 3.3Å; Y248-K494 HydrophobicContact CG-CB 3.93Å; Y248-K494 HydrophobicContact CG-CD 4.31Å |
| 495 | K | 96.9 | Very high | 91.5 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -64.1 | 140.8 | 168.9 | -69.2 | -170.3 | 177 | 176.1 | 0 | 109.8 | D245 K246 V247 Y248 F497 | D245-K495 HydrophobicContact CB-CD 3.88Å; D245-K495 HydrophobicContact CB-CG 4.37Å; D245-K495 VanDerWaalsContact CG-CE 3.45Å; D245-K495 VanDerWaalsContact CG-NZ 3.32Å; D245-K495 IonicContact OD1-NZ 2.91Å; D245-K495 VanDerWaalsContact OD2-CE 3.31Å; D245-K495 WeakPolarHBondContact OD2-CE 3.46Å; D245-K495 IonicContact OD2-NZ 2.73Å; D245-K495 PolarHBondContact OD2-NZ 2.8Å; K246-K495 PolarHBondContact O-N 3.38Å; V247-K495 WeakPolarHBondContact CA-O 3.49Å; Y248-K495 PolarHBondContact N-O 3.27Å; K495-F497 HydrophobicContact CB-CD2 4.3Å; K495-F497 HydrophobicContact CB-CE2 3.49Å; K495-F497 VanDerWaalsContact CB-CE2 3.49Å; K495-F497 HydrophobicContact CB-CZ 3.94Å; K495-F497 HydrophobicContact CD-CE2 4.28Å; K495-F497 HydrophobicContact CD-CZ 3.96Å |
| 496 | L | 97.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | trans | -120.5 | 112.5 | -176.4 | 179.7 | 54.4 | 0 | 0 | 0 | 109.9 | Y248 M250 P374 I376 D460 I461 L492 F498 | Y248-L496 HydrophobicContact CD2-CB 3.88Å; Y248-L496 HydrophobicContact CD2-CD1 3.99Å; Y248-L496 HydrophobicContact CD2-CG 4.42Å; Y248-L496 HydrophobicContact CE2-CB 4.37Å; Y248-L496 HydrophobicContact CG-CD1 4.39Å; M250-L496 HydrophobicContact CE-CD1 3.37Å; P374-L496 HydrophobicContact CB-CD1 4.04Å; P374-L496 HydrophobicContact CB-CD2 3.57Å; P374-L496 HydrophobicContact CB-CG 4.46Å; P374-L496 HydrophobicContact CG-CD1 3.77Å; P374-L496 HydrophobicContact CG-CD2 4.22Å; I376-L496 HydrophobicContact CD1-CD2 3.69Å; I376-L496 HydrophobicContact CG1-CD2 4.38Å; D460-L496 CarbonylContact C-O 3.51Å; D460-L496 WeakPolarHBondContact CA-O 3.48Å; I461-L496 HydrophobicContact CB-CG 4.49Å; I461-L496 HydrophobicContact CG2-CB 3.79Å; I461-L496 HydrophobicContact CG2-CD2 4.05Å; I461-L496 HydrophobicContact CG2-CG 4.11Å; I461-L496 PolarHBondContact N-O 3.26Å; L492-L496 HydrophobicContact CD1-CB 4.29Å; L492-L496 HydrophobicContact CD1-CD2 4.21Å; L492-L496 HydrophobicContact CD2-CD2 4.47Å; L496-F498 HydrophobicContact CD1-CE1 4.13Å; L496-F498 HydrophobicContact CD1-CZ 4.26Å; L496-F498 HydrophobicContact CD2-CZ 4.05Å; L496-F498 HydrophobicContact CG-CE1 4.38Å; L496-F498 HydrophobicContact CG-CZ 4.01Å | ||
| 497 | F | 97.1 | Very high | 91.5 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | trans | -117.3 | 149.9 | 177.1 | -54.4 | -90.9 | 0 | 0 | 0 | 109.7 | V247 M250 G458 D459 D460 K495 P499 | V247-F497 HydrophobicContact CG1-CD2 3.59Å; V247-F497 HydrophobicContact CG1-CE2 3.93Å; V247-F497 HydrophobicContact CG2-CD2 4.39Å; V247-F497 HydrophobicContact CG2-CE2 3.88Å; M250-F497 WeakPolarHBondContact CG-O 3.44Å; G458-F497 WeakPolarHBondContact O-CD1 3.35Å; G458-F497 WeakPolarHBondContact O-CE1 3Å; D459-F497 WeakPolarHBondContact O-CD1 3.24Å; D460-F497 HydrophobicContact CB-CD1 3.89Å; D460-F497 HydrophobicContact CB-CE1 3.55Å; D460-F497 HydrophobicContact CB-CZ 3.91Å; K495-F497 HydrophobicContact CB-CD2 4.3Å; K495-F497 HydrophobicContact CB-CE2 3.49Å; K495-F497 VanDerWaalsContact CB-CE2 3.49Å; K495-F497 HydrophobicContact CB-CZ 3.94Å; K495-F497 HydrophobicContact CD-CE2 4.28Å; K495-F497 HydrophobicContact CD-CZ 3.96Å; F497-P499 VanDerWaalsContact O-CD 3.26Å; F497-P499 WeakPolarHBondContact O-CD 3.38Å | ||
| 498 | F | 95.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | trans | -112.4 | 82.7 | 170.4 | -58.5 | -62.3 | 0 | 0 | 0 | 109.8 | M250 L299 F301 I376 L451 I461 L496 | M250-F498 HydrophobicContact CE-CD1 4.11Å; M250-F498 HydrophobicContact CE-CE1 3.82Å; M250-F498 HydrophobicContact CG-CD1 4.22Å; M250-F498 HydrophobicContact SD-CD1 4.04Å; M250-F498 HydrophobicContact SD-CE1 4.17Å; L299-F498 HydrophobicContact CD1-CB 4.08Å; L299-F498 HydrophobicContact CD1-CD2 4.36Å; L299-F498 HydrophobicContact CD1-CG 4.34Å; L299-F498 HydrophobicContact CD2-CB 3.98Å; L299-F498 HydrophobicContact CG-CB 4.43Å; F301-F498 AromaticContact CE2-CD1 3.94Å; F301-F498 HydrophobicContact CE2-CD1 3.94Å; F301-F498 HydrophobicContact CE2-CE1 4.1Å; F301-F498 HydrophobicContact CZ-CD1 4.02Å; F301-F498 AromaticContact CZ-CE1 3.76Å; F301-F498 HydrophobicContact CZ-CE1 3.76Å; I376-F498 HydrophobicContact CD1-CE1 4.4Å; I376-F498 HydrophobicContact CD1-CE2 4.43Å; I376-F498 HydrophobicContact CD1-CZ 3.56Å; L451-F498 HydrophobicContact CD2-CD2 4.36Å; I461-F498 HydrophobicContact CB-CE2 4.44Å; I461-F498 HydrophobicContact CD1-CE2 3.97Å; I461-F498 HydrophobicContact CG1-CE2 4.24Å; L496-F498 HydrophobicContact CD1-CE1 4.13Å; L496-F498 HydrophobicContact CD1-CZ 4.26Å; L496-F498 HydrophobicContact CD2-CZ 4.05Å; L496-F498 HydrophobicContact CG-CE1 4.38Å; L496-F498 HydrophobicContact CG-CZ 4.01Å | ||
| 499 | P | 89.9 | Confident | 91.7 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | trans | -65 | 136.2 | 175.6 | 27.4 | -33.6 | 0 | 0 | 0 | 110.1 | M250 R255 F497 | M250-P499 HydrophobicContact CB-CG 4.36Å; M250-P499 HydrophobicContact CG-CG 4.48Å; R255-P499 PolarHBondContact NH2-O 3.04Å; F497-P499 VanDerWaalsContact O-CD 3.26Å; F497-P499 WeakPolarHBondContact O-CD 3.38Å | ||
| 500 | P | 75.5 | Confident | 92 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 64% | 0.643 | 31% | 0.306 | S | S | * | . | trans | -71.5 | 0 | -177 | 30.8 | -36.7 | 0 | 0 | 0 | 114.5 | H300 | H300-P500 PolarHBondContact NE2-OXT 2.98Å; H300-P500 VanDerWaalsContact NE2-OXT 3.09Å |
Retrieved 500 of 500 residues in 760 ms
(Link to these results)