| 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 | 37 | Very low | 44.6 | Very low | 217 Ų | 217 | 125.5 Ų | 125.5 | 100% | 1.069 | 64% | 0.641 | S | S | * | * | 0 | 96.2 | 0 | -162.4 | 170.6 | -171.7 | 0 | 0 | 107.6 | R3 | M1-R3 PolarHBondContact O-N 2.65Å; M1-R3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | V | 39.6 | Very low | 44.1 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | trans | -77.1 | 102.2 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | L4 | V2-L4 HydrophobicContact CG1-CD2 4.22Å; V2-L4 HydrophobicContact CG1-CG 4.08Å; V2-L4 PolarHBondContact O-N 3.1Å | ||
| 3 | R | 37.4 | Very low | 44.1 | Very low | 214 Ų | 214 | 130.5 Ų | 130.5 | 81% | 0.808 | 64% | 0.64 | S | S | * | * | trans | -61.1 | 98.5 | 168.9 | -117.9 | -179.1 | 159.1 | 131.1 | -1.3 | 107.9 | M1 D5 | M1-R3 PolarHBondContact O-N 2.65Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-D5 WeakPolarHBondContact CD-OD2 3.35Å; R3-D5 WeakPolarHBondContact CG-OD2 3.5Å; R3-D5 IonicContact NE-OD2 3.43Å; R3-D5 PolarHBondContact NE-OD2 2.99Å; R3-D5 VanDerWaalsContact NE-OD2 3.13Å; R3-D5 PolarHBondContact O-N 3.27Å | ||
| 4 | L | 43.4 | Very low | 44.3 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 41% | 0.414 | 67% | 0.665 | S | S | . | * | trans | -85.7 | 44.4 | 177.3 | -78 | 166 | 0 | 0 | 0 | 110.2 | V2 W6 W7 | V2-L4 HydrophobicContact CG1-CD2 4.22Å; V2-L4 HydrophobicContact CG1-CG 4.08Å; V2-L4 PolarHBondContact O-N 3.1Å; L4-W6 VanDerWaalsContact O-CD1 3.24Å; L4-W6 PolarHBondContact O-N 3.16Å; L4-W7 HydrophobicContact CB-CH2 3.46Å; L4-W7 VanDerWaalsContact CB-CH2 3.46Å; L4-W7 HydrophobicContact CB-CZ2 4.4Å; L4-W7 HydrophobicContact CB-CZ3 3.62Å; L4-W7 VanDerWaalsContact O-CD2 3.32Å; L4-W7 VanDerWaalsContact O-CE2 3.31Å; L4-W7 WeakPolarHBondContact O-CH2 3.49Å; L4-W7 WeakPolarHBondContact O-CZ2 3.29Å; L4-W7 WeakPolarHBondContact O-CZ3 3.45Å | ||
| 5 | D | 49.5 | Very low | 45.3 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 36% | 0.358 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -74.9 | 17.7 | -174.8 | -68.9 | -22.2 | 0 | 0 | 0 | 114.4 | R3 W7 N8 | R3-D5 WeakPolarHBondContact CD-OD2 3.35Å; R3-D5 WeakPolarHBondContact CG-OD2 3.5Å; R3-D5 IonicContact NE-OD2 3.43Å; R3-D5 PolarHBondContact NE-OD2 2.99Å; R3-D5 VanDerWaalsContact NE-OD2 3.13Å; R3-D5 PolarHBondContact O-N 3.27Å; D5-W7 PolarHBondContact O-N 3.06Å; D5-W7 VanDerWaalsContact O-N 3.08Å; D5-N8 WeakPolarHBondContact O-CB 3.46Å; D5-N8 PolarHBondContact O-N 3.33Å; D5-N8 VanDerWaalsContact O-N 3.08Å |
| 6 | W | 47.7 | Very low | 47.3 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 43% | 0.428 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -69.2 | -6.7 | -177.3 | 68.6 | -81.7 | 0 | 0 | 0 | 114.2 | L4 | L4-W6 VanDerWaalsContact O-CD1 3.24Å; L4-W6 PolarHBondContact O-N 3.16Å |
| 7 | W | 49.6 | Very low | 49.4 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 31% | 0.307 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -91.6 | -7.7 | 172.3 | 52 | 70 | 0 | 0 | 0 | 114 | L4 D5 C9 A32 | L4-W7 HydrophobicContact CB-CH2 3.46Å; L4-W7 VanDerWaalsContact CB-CH2 3.46Å; L4-W7 HydrophobicContact CB-CZ2 4.4Å; L4-W7 HydrophobicContact CB-CZ3 3.62Å; L4-W7 VanDerWaalsContact O-CD2 3.32Å; L4-W7 VanDerWaalsContact O-CE2 3.31Å; L4-W7 WeakPolarHBondContact O-CH2 3.49Å; L4-W7 WeakPolarHBondContact O-CZ2 3.29Å; L4-W7 WeakPolarHBondContact O-CZ3 3.45Å; D5-W7 PolarHBondContact O-N 3.06Å; D5-W7 VanDerWaalsContact O-N 3.08Å; W7-C9 PolarHBondContact O-N 3.2Å; W7-A32 HydrophobicContact CZ2-CB 4.07Å |
| 8 | N | 52.3 | Low | 51.5 | Low | 112 Ų | 112 | 122.4 Ų | 122.4 | 60% | 0.599 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -76 | -11.2 | 179.9 | -73 | -20.5 | 0 | 0 | 0 | 112.8 | D5 | D5-N8 WeakPolarHBondContact O-CB 3.46Å; D5-N8 PolarHBondContact O-N 3.33Å; D5-N8 VanDerWaalsContact O-N 3.08Å |
| 9 | C | 47.4 | Very low | 53.5 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -112.1 | 91 | -177.9 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | W7 | W7-C9 PolarHBondContact O-N 3.2Š|
| 10 | G | 40.9 | Very low | 55.3 | Low | 60 Ų | 60 | 121.6 Ų | 121.6 | 62% | 0.619 | 61% | 0.611 | S | S | * | * | trans | 99.4 | 115.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R12 | G10-R12 PolarHBondContact O-N 3.31Š| ||
| 11 | Q | 45.3 | Very low | 56.9 | Low | 201 Ų | 201 | 116.1 Ų | 116.1 | 94% | 0.939 | 58% | 0.584 | S | S | * | * | trans | -58.7 | 71.4 | 151.3 | -64.4 | 179.3 | -10.2 | 0 | 0 | 109.5 | ||||
| 12 | R | 39.1 | Very low | 59.4 | Low | 220 Ų | 220 | 106.9 Ų | 106.9 | 83% | 0.83 | 54% | 0.539 | S | S | * | . | trans | -80.9 | 135.1 | 156.9 | -76.9 | -174.1 | 179.4 | -176.5 | 0.9 | 106.1 | G10 | G10-R12 PolarHBondContact O-N 3.31Š| ||
| 13 | H | 44.7 | Very low | 61.9 | Low | 95 Ų | 95 | 106.9 Ų | 106.9 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | trans | 97.1 | 75.2 | -171.6 | -62 | -94.8 | 0 | 0 | 0 | 114.4 | S15 | H13-S15 WeakPolarHBondContact CB-O 3.35Å; H13-S15 PolarHBondContact ND1-O 3.39Å; H13-S15 PolarHBondContact O-N 3.06Å | ||
| 14 | T | 46.9 | Very low | 64.5 | Low | 160 Ų | 160 | 97 Ų | 97 | 98% | 0.982 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -60.9 | -3.9 | 149.9 | 43.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 15 | S | 59.4 | Low | 66.7 | Low | 86 Ų | 86 | 98.2 Ų | 98.2 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -143.7 | 115 | 164.4 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | H13 | H13-S15 WeakPolarHBondContact CB-O 3.35Å; H13-S15 PolarHBondContact ND1-O 3.39Å; H13-S15 PolarHBondContact O-N 3.06Å |
| 16 | W | 76.5 | Confident | 68.7 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 31% | 0.311 | 50% | 0.498 | S | S | . | . | trans | -69.8 | 133.6 | 164.6 | -61.2 | 95.8 | 0 | 0 | 0 | 108.6 | K18 M21 L22 W25 | W16-K18 PolarHBondContact O-N 2.84Å; W16-K18 VanDerWaalsContact O-N 3.17Å; W16-M21 HydrophobicContact CB-CB 4.45Å; W16-M21 HydrophobicContact CD2-CB 4.29Å; W16-M21 HydrophobicContact CE3-CB 3.54Å; W16-M21 HydrophobicContact CE3-CE 4.12Å; W16-M21 HydrophobicContact CZ3-CB 4.19Å; W16-L22 HydrophobicContact CD2-CB 4.2Å; W16-L22 HydrophobicContact CG-CB 3.99Å; W16-L22 HydrophobicContact CZ2-CD1 4.25Å; W16-W25 HydrophobicContact CH2-CB 3.5Å; W16-W25 AromaticContact CH2-CD1 3.72Å; W16-W25 HydrophobicContact CH2-CD2 4.2Å; W16-W25 AromaticContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CZ2-CB 3.95Å; W16-W25 AromaticContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CE3 4.35Å; W16-W25 AromaticContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ3-CB 4.16Å | ||
| 17 | A | 82.4 | Confident | 70.9 | Confident | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -60.7 | -30.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M21 M80 | A17-M21 HydrophobicContact CB-SD 3.81Å; A17-M80 WeakPolarHBondContact CB-O 3.24Å |
| 18 | K | 87.3 | Confident | 73 | Confident | 122 Ų | 122 | 98 Ų | 98 | 53% | 0.53 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -144.3 | 147.5 | 175.6 | -61 | -173.1 | 180 | -170.8 | 0 | 110.7 | W16 G20 M21 | W16-K18 PolarHBondContact O-N 2.84Å; W16-K18 VanDerWaalsContact O-N 3.17Å; K18-G20 PolarHBondContact O-N 3.02Å; K18-M21 WeakPolarHBondContact O-CB 3.39Å; K18-M21 PolarHBondContact O-N 3.46Å |
| 19 | W | 89.9 | Confident | 74.9 | Confident | 207 Ų | 207 | 97.9 Ų | 97.9 | 78% | 0.784 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -54 | -25.3 | 168.7 | -63.4 | 115.4 | 0 | 0 | 0 | 114 | M21 L22 R23 | W19-M21 VanDerWaalsContact C-N 3.27Å; W19-M21 PolarHBondContact O-N 2.91Å; W19-L22 HydrophobicContact CE3-CD2 3.83Å; W19-L22 HydrophobicContact CZ3-CD2 3.87Å; W19-L22 PolarHBondContact O-N 3.1Å; W19-R23 PolarHBondContact O-N 3.44Å |
| 20 | G | 89.5 | Confident | 77.1 | Confident | 21 Ų | 21 | 94.4 Ų | 94.4 | 22% | 0.216 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.5 | -33.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K18 D24 | K18-G20 PolarHBondContact O-N 3.02Å; G20-D24 PolarHBondContact O-N 3.37Å |
| 21 | M | 89.4 | Confident | 79.7 | Confident | 7 Ų | 7 | 92.5 Ų | 92.5 | 3% | 0.034 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.2 | -44.8 | 177.7 | -63.5 | 171.8 | 70 | 0 | 0 | 111 | W16 A17 K18 W19 R23 D24 W25 Q79 G82 | W16-M21 HydrophobicContact CB-CB 4.45Å; W16-M21 HydrophobicContact CD2-CB 4.29Å; W16-M21 HydrophobicContact CE3-CB 3.54Å; W16-M21 HydrophobicContact CE3-CE 4.12Å; W16-M21 HydrophobicContact CZ3-CB 4.19Å; A17-M21 HydrophobicContact CB-SD 3.81Å; K18-M21 WeakPolarHBondContact O-CB 3.39Å; K18-M21 PolarHBondContact O-N 3.46Å; W19-M21 VanDerWaalsContact C-N 3.27Å; W19-M21 PolarHBondContact O-N 2.91Å; M21-R23 VanDerWaalsContact C-N 3.26Å; M21-R23 PolarHBondContact O-N 3.32Å; M21-D24 PolarHBondContact O-N 3.46Å; M21-D24 VanDerWaalsContact O-N 3.09Å; M21-W25 WeakPolarHBondContact O-CB 3.34Å; M21-W25 PolarHBondContact O-N 2.95Å; M21-Q79 WeakPolarHBondContact CE-O 3.43Å; M21-G82 WeakPolarHBondContact SD-CA 3.13Å |
| 22 | L | 88.8 | Confident | 82.1 | Confident | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.3 | -42.6 | 173.8 | 177.2 | 62.6 | 0 | 0 | 0 | 111.3 | W16 W19 W25 R26 | W16-L22 HydrophobicContact CD2-CB 4.2Å; W16-L22 HydrophobicContact CG-CB 3.99Å; W16-L22 HydrophobicContact CZ2-CD1 4.25Å; W19-L22 HydrophobicContact CE3-CD2 3.83Å; W19-L22 HydrophobicContact CZ3-CD2 3.87Å; W19-L22 PolarHBondContact O-N 3.1Å; L22-W25 HydrophobicContact CD1-CE3 3.86Å; L22-W25 HydrophobicContact CD1-CZ3 4.19Å; L22-W25 PolarHBondContact O-N 3.3Å; L22-R26 WeakPolarHBondContact O-CG 3.19Å; L22-R26 PolarHBondContact O-N 3.02Å |
| 23 | R | 91.6 | Very high | 84.7 | Confident | 125 Ų | 125 | 80.4 Ų | 80.4 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 174.5 | -75.3 | -170.8 | -70.9 | -174.6 | -7.5 | 112.5 | W19 M21 R26 R27 | W19-R23 PolarHBondContact O-N 3.44Å; M21-R23 VanDerWaalsContact C-N 3.26Å; M21-R23 PolarHBondContact O-N 3.32Å; R23-R26 PolarHBondContact O-N 3.03Å; R23-R27 WeakPolarHBondContact O-CG 3.42Å; R23-R27 PolarHBondContact O-N 3.19Å; R23-R27 VanDerWaalsContact O-N 3.15Å |
| 24 | D | 92.1 | Very high | 87.2 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 3% | 0.032 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 178.5 | -164.6 | 70.3 | 0 | 0 | 0 | 111.6 | G20 M21 R27 R28 K75 | G20-D24 PolarHBondContact O-N 3.37Å; M21-D24 PolarHBondContact O-N 3.46Å; M21-D24 VanDerWaalsContact O-N 3.09Å; D24-R27 WeakPolarHBondContact O-CB 3.44Å; D24-R27 PolarHBondContact O-N 3.18Å; D24-R28 WeakPolarHBondContact O-CG 3.37Å; D24-R28 PolarHBondContact O-N 3.47Å; D24-R28 IonicContact OD2-CZ 2.76Å; D24-R28 VanDerWaalsContact OD2-CZ 3.32Å; D24-R28 IonicContact OD2-NE 3.22Å; D24-R28 PolarHBondContact OD2-NE 3.04Å; D24-R28 IonicContact OD2-NH2 3.13Å; D24-R28 PolarHBondContact OD2-NH2 3.44Å; D24-K75 PolarHBondContact OD1-N 3.29Å |
| 25 | W | 89.9 | Confident | 89.4 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 39% | 0.394 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 174.7 | 170.7 | 83.1 | 0 | 0 | 0 | 112.3 | W16 M21 L22 R27 R28 K29 | W16-W25 HydrophobicContact CH2-CB 3.5Å; W16-W25 AromaticContact CH2-CD1 3.72Å; W16-W25 HydrophobicContact CH2-CD2 4.2Å; W16-W25 AromaticContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CZ2-CB 3.95Å; W16-W25 AromaticContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CE3 4.35Å; W16-W25 AromaticContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ3-CB 4.16Å; M21-W25 WeakPolarHBondContact O-CB 3.34Å; M21-W25 PolarHBondContact O-N 2.95Å; L22-W25 HydrophobicContact CD1-CE3 3.86Å; L22-W25 HydrophobicContact CD1-CZ3 4.19Å; L22-W25 PolarHBondContact O-N 3.3Å; W25-R27 VanDerWaalsContact C-N 3.26Å; W25-R27 PolarHBondContact O-N 3.49Å; W25-R28 PolarHBondContact O-N 3.43Å; W25-R28 VanDerWaalsContact O-N 3.15Å; W25-K29 HydrophobicContact CZ2-CD 4.48Å; W25-K29 PolarHBondContact O-N 3.32Å |
| 26 | R | 91.3 | Very high | 91.2 | Very high | 154 Ų | 154 | 73.3 Ų | 73.3 | 58% | 0.581 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.3 | -40.8 | 175.3 | -71.5 | 179.4 | -173.7 | 174.1 | -0.4 | 111.6 | L22 R23 K29 L30 | L22-R26 WeakPolarHBondContact O-CG 3.19Å; L22-R26 PolarHBondContact O-N 3.02Å; R23-R26 PolarHBondContact O-N 3.03Å; R26-K29 PolarHBondContact O-N 3.03Å; R26-L30 PolarHBondContact O-N 3.07Å; R26-L30 VanDerWaalsContact O-N 3.07Å |
| 27 | R | 93.9 | Very high | 92.1 | Very high | 56 Ų | 56 | 72.8 Ų | 72.8 | 21% | 0.211 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 176.4 | -66 | 175.9 | -170.6 | 146.5 | 3 | 112.1 | R23 D24 W25 K29 L30 V31 H68 L74 | R23-R27 WeakPolarHBondContact O-CG 3.42Å; R23-R27 PolarHBondContact O-N 3.19Å; R23-R27 VanDerWaalsContact O-N 3.15Å; D24-R27 WeakPolarHBondContact O-CB 3.44Å; D24-R27 PolarHBondContact O-N 3.18Å; W25-R27 VanDerWaalsContact C-N 3.26Å; W25-R27 PolarHBondContact O-N 3.49Å; R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.46Å; R27-L30 PolarHBondContact O-N 3.32Å; R27-V31 VanDerWaalsContact O-CG2 3.25Å; R27-V31 WeakPolarHBondContact O-CG2 3.15Å; R27-V31 PolarHBondContact O-N 2.6Å; R27-H68 HydrophobicContact CG-CB 4.12Å; R27-L74 HydrophobicContact CB-CD2 3.79Å |
| 28 | R | 93.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 71 Ų | 71 | 18% | 0.177 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 176.7 | -70.2 | 174.4 | -172.3 | -108.1 | -3.5 | 111.7 | D24 W25 L30 V31 A32 L74 K75 | D24-R28 WeakPolarHBondContact O-CG 3.37Å; D24-R28 PolarHBondContact O-N 3.47Å; D24-R28 IonicContact OD2-CZ 2.76Å; D24-R28 VanDerWaalsContact OD2-CZ 3.32Å; D24-R28 IonicContact OD2-NE 3.22Å; D24-R28 PolarHBondContact OD2-NE 3.04Å; D24-R28 IonicContact OD2-NH2 3.13Å; D24-R28 PolarHBondContact OD2-NH2 3.44Å; W25-R28 PolarHBondContact O-N 3.43Å; W25-R28 VanDerWaalsContact O-N 3.15Å; R28-L30 PolarHBondContact O-N 3.46Å; R28-V31 PolarHBondContact O-N 2.86Å; R28-A32 WeakPolarHBondContact O-CB 3Å; R28-A32 PolarHBondContact O-N 2.94Å; R28-L74 HydrophobicContact CB-CD2 4.39Å; R28-L74 HydrophobicContact CG-CD1 4.33Å; R28-L74 HydrophobicContact CG-CD2 3.61Å; R28-K75 PolarHBondContact NH2-O 3.39Å; R28-K75 VanDerWaalsContact NH2-O 3.14Å |
| 29 | K | 92.9 | Very high | 93.1 | Very high | 110 Ų | 110 | 69.6 Ų | 69.6 | 48% | 0.478 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 174.6 | -172.2 | 177 | -179.4 | 179.4 | 0 | 111.4 | W25 R26 R27 A32 Q33 | W25-K29 HydrophobicContact CZ2-CD 4.48Å; W25-K29 PolarHBondContact O-N 3.32Å; R26-K29 PolarHBondContact O-N 3.03Å; R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.46Å; K29-A32 PolarHBondContact O-N 3.35Å; K29-Q33 WeakPolarHBondContact O-CG 3.17Å; K29-Q33 PolarHBondContact O-N 2.73Å |
| 30 | L | 94.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.6 | -170.6 | 67.3 | 0 | 0 | 0 | 112.1 | R26 R27 R28 A32 Q33 Y34 P66 H68 | R26-L30 PolarHBondContact O-N 3.07Å; R26-L30 VanDerWaalsContact O-N 3.07Å; R27-L30 PolarHBondContact O-N 3.32Å; R28-L30 PolarHBondContact O-N 3.46Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 3.44Å; L30-Q33 PolarHBondContact O-N 3.15Å; L30-Y34 HydrophobicContact CD1-CD2 3.68Å; L30-Y34 HydrophobicContact CD1-CE2 3.45Å; L30-Y34 VanDerWaalsContact CD1-CE2 3.45Å; L30-Y34 HydrophobicContact CG-CD2 4.12Å; L30-Y34 HydrophobicContact CG-CE2 4.35Å; L30-Y34 WeakPolarHBondContact O-CD2 3.31Å; L30-Y34 PolarHBondContact O-N 3.19Å; L30-Y34 VanDerWaalsContact O-N 3.09Å; L30-P66 HydrophobicContact CD2-CB 4.1Å; L30-H68 HydrophobicContact CD2-CB 3.82Å |
| 31 | V | 95.5 | Very high | 93.7 | Very high | 20 Ų | 20 | 68 Ų | 68 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 176 | 172 | 0 | 0 | 0 | 0 | 110.8 | R27 R28 Q33 Y34 S35 S69 P71 L74 | R27-V31 VanDerWaalsContact O-CG2 3.25Å; R27-V31 WeakPolarHBondContact O-CG2 3.15Å; R27-V31 PolarHBondContact O-N 2.6Å; R28-V31 PolarHBondContact O-N 2.86Å; V31-Q33 VanDerWaalsContact C-N 3.34Å; V31-Y34 PolarHBondContact O-N 3.31Å; V31-S35 WeakPolarHBondContact O-CA 3.14Å; V31-S35 VanDerWaalsContact O-CB 3.32Å; V31-S35 WeakPolarHBondContact O-CB 3.37Å; V31-S35 PolarHBondContact O-N 3.02Å; V31-S69 WeakPolarHBondContact CG2-O 3.48Å; V31-P71 HydrophobicContact CG1-CB 4.35Å; V31-L74 HydrophobicContact CB-CD1 4.38Å; V31-L74 HydrophobicContact CG1-CD1 4.2Å; V31-L74 HydrophobicContact CG2-CD1 4.15Å; V31-L74 HydrophobicContact CG2-CD2 4Å; V31-L74 HydrophobicContact CG2-CG 4.09Å |
| 32 | A | 94.3 | Very high | 94.1 | Very high | 43 Ų | 43 | 70.8 Ų | 70.8 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W7 R28 K29 L30 S35 | W7-A32 HydrophobicContact CZ2-CB 4.07Å; R28-A32 WeakPolarHBondContact O-CB 3Å; R28-A32 PolarHBondContact O-N 2.94Å; K29-A32 PolarHBondContact O-N 3.35Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 3.44Å; A32-S35 PolarHBondContact O-OG 3.42Å |
| 33 | Q | 94.9 | Very high | 94.4 | Very high | 123 Ų | 123 | 72.1 Ų | 72.1 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.6 | -39.3 | 175.9 | -73 | 172.8 | -10.4 | 0 | 0 | 112.6 | K29 L30 V31 | K29-Q33 WeakPolarHBondContact O-CG 3.17Å; K29-Q33 PolarHBondContact O-N 2.73Å; L30-Q33 PolarHBondContact O-N 3.15Å; V31-Q33 VanDerWaalsContact C-N 3.34Å |
| 34 | Y | 95.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -101.9 | 2.9 | -173.5 | -73.8 | -87.4 | 0 | 0 | 0 | 114 | L30 V31 D36 L37 R38 L65 P66 | L30-Y34 HydrophobicContact CD1-CD2 3.68Å; L30-Y34 HydrophobicContact CD1-CE2 3.45Å; L30-Y34 VanDerWaalsContact CD1-CE2 3.45Å; L30-Y34 HydrophobicContact CG-CD2 4.12Å; L30-Y34 HydrophobicContact CG-CE2 4.35Å; L30-Y34 WeakPolarHBondContact O-CD2 3.31Å; L30-Y34 PolarHBondContact O-N 3.19Å; L30-Y34 VanDerWaalsContact O-N 3.09Å; V31-Y34 PolarHBondContact O-N 3.31Å; Y34-D36 VanDerWaalsContact C-N 3.34Å; Y34-D36 PolarHBondContact O-N 2.92Å; Y34-L37 HydrophobicContact CD1-CD2 4.1Å; Y34-L37 HydrophobicContact CE1-CD2 4.47Å; Y34-R38 WeakPolarHBondContact O-CB 3.32Å; Y34-R38 VanDerWaalsContact O-CG 3.31Å; Y34-R38 WeakPolarHBondContact O-CG 3.37Å; Y34-R38 PolarHBondContact O-N 3.4Å; Y34-L65 HydrophobicContact CD1-CD2 4Å; Y34-L65 HydrophobicContact CE1-CD2 3.99Å; Y34-P66 HydrophobicContact CE2-CG 4.18Å |
| 35 | S | 94.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 69 Ų | 69 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | -172.7 | 56 | 0 | 0 | 0 | 0 | 112.3 | V31 A32 T39 | V31-S35 WeakPolarHBondContact O-CA 3.14Å; V31-S35 VanDerWaalsContact O-CB 3.32Å; V31-S35 WeakPolarHBondContact O-CB 3.37Å; V31-S35 PolarHBondContact O-N 3.02Å; A32-S35 PolarHBondContact O-OG 3.42Å; S35-T39 WeakPolarHBondContact O-CB 3.38Å; S35-T39 PolarHBondContact O-N 3.46Å; S35-T39 PolarHBondContact O-OG1 3.5Å |
| 36 | D | 95.8 | Very high | 95.1 | Very high | 80 Ų | 80 | 71.8 Ų | 71.8 | 43% | 0.428 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.3 | -44.6 | -172.9 | -64 | -6 | 0 | 0 | 0 | 110.5 | Y34 R38 T39 R40 | Y34-D36 VanDerWaalsContact C-N 3.34Å; Y34-D36 PolarHBondContact O-N 2.92Å; D36-R38 PolarHBondContact O-N 2.92Å; D36-T39 PolarHBondContact O-N 3.32Å; D36-R40 WeakPolarHBondContact O-CG 3.36Å; D36-R40 PolarHBondContact O-N 3.43Å |
| 37 | L | 95.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 175.6 | -174.7 | 66.5 | 0 | 0 | 0 | 111.2 | Y34 T39 R40 M41 L65 | Y34-L37 HydrophobicContact CD1-CD2 4.1Å; Y34-L37 HydrophobicContact CE1-CD2 4.47Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.1Å; L37-R40 PolarHBondContact O-N 3.17Å; L37-M41 HydrophobicContact CD1-CE 3.79Å; L37-M41 HydrophobicContact CD1-SD 4.36Å; L37-M41 HydrophobicContact CD2-CE 4.12Å; L37-M41 HydrophobicContact CD2-SD 4.49Å; L37-M41 HydrophobicContact CG-CE 3.85Å; L37-M41 HydrophobicContact CG-SD 3.95Å; L37-M41 WeakPolarHBondContact O-CG 3.26Å; L37-M41 PolarHBondContact O-N 3.28Å; L37-L65 HydrophobicContact CD2-CD1 4.45Å; L37-L65 HydrophobicContact CD2-CD2 3.88Å |
| 38 | R | 96 | Very high | 95.3 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 8% | 0.083 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 178.1 | -73.3 | -175.1 | 75.9 | 71.3 | 3.1 | 112.1 | Y34 D36 K42 L62 L65 S69 D70 | Y34-R38 WeakPolarHBondContact O-CB 3.32Å; Y34-R38 VanDerWaalsContact O-CG 3.31Å; Y34-R38 WeakPolarHBondContact O-CG 3.37Å; Y34-R38 PolarHBondContact O-N 3.4Å; D36-R38 PolarHBondContact O-N 2.92Å; R38-K42 VanDerWaalsContact O-CB 3.24Å; R38-K42 WeakPolarHBondContact O-CB 3.45Å; R38-K42 VanDerWaalsContact O-CG 3.26Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-N 3.15Å; R38-L62 HydrophobicContact CB-CD1 4.43Å; R38-L62 HydrophobicContact CG-CD1 4.25Å; R38-L62 PolarHBondContact NH1-O 2.88Å; R38-L65 HydrophobicContact CG-CD1 3.49Å; R38-L65 VanDerWaalsContact CG-CD1 3.49Å; R38-S69 WeakPolarHBondContact CD-O 2.89Å; R38-S69 PolarHBondContact NH1-OG 2.91Å; R38-D70 IonicContact CZ-OD2 3.32Å; R38-D70 IonicContact NE-OD2 2.98Å; R38-D70 IonicContact NH2-OD2 2.73Å; R38-D70 PolarHBondContact NH2-OD2 3.5Å |
| 39 | T | 96 | Very high | 95.4 | Very high | 92 Ų | 92 | 76.8 Ų | 76.8 | 56% | 0.564 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | S35 D36 L37 A43 | S35-T39 WeakPolarHBondContact O-CB 3.38Å; S35-T39 PolarHBondContact O-N 3.46Å; S35-T39 PolarHBondContact O-OG1 3.5Å; D36-T39 PolarHBondContact O-N 3.32Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.1Å; T39-A43 WeakPolarHBondContact O-CB 3.25Å; T39-A43 PolarHBondContact O-N 3.18Å |
| 40 | R | 96 | Very high | 95.5 | Very high | 172 Ų | 172 | 74.3 Ų | 74.3 | 65% | 0.649 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.3 | -51.3 | 176 | -66.2 | 172 | -169.9 | 175.4 | 3.3 | 111.7 | D36 L37 K42 A43 I44 | D36-R40 WeakPolarHBondContact O-CG 3.36Å; D36-R40 PolarHBondContact O-N 3.43Å; L37-R40 PolarHBondContact O-N 3.17Å; R40-K42 PolarHBondContact O-N 3.5Å; R40-A43 WeakPolarHBondContact O-CB 3.31Å; R40-A43 PolarHBondContact O-N 3.07Å; R40-A43 VanDerWaalsContact O-N 3.14Å; R40-I44 WeakPolarHBondContact O-CG1 3.49Å; R40-I44 PolarHBondContact O-N 3.42Å; R40-I44 VanDerWaalsContact O-N 3.1Å |
| 41 | M | 96.2 | Very high | 95.7 | Very high | 21 Ų | 21 | 76.1 Ų | 76.1 | 10% | 0.103 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 178.5 | -71.7 | 170.2 | 166.2 | 0 | 0 | 112.1 | L37 A43 I44 A45 E61 L62 L65 | L37-M41 HydrophobicContact CD1-CE 3.79Å; L37-M41 HydrophobicContact CD1-SD 4.36Å; L37-M41 HydrophobicContact CD2-CE 4.12Å; L37-M41 HydrophobicContact CD2-SD 4.49Å; L37-M41 HydrophobicContact CG-CE 3.85Å; L37-M41 HydrophobicContact CG-SD 3.95Å; L37-M41 WeakPolarHBondContact O-CG 3.26Å; L37-M41 PolarHBondContact O-N 3.28Å; M41-A43 VanDerWaalsContact C-N 3.32Å; M41-A43 PolarHBondContact O-N 3.01Å; M41-I44 PolarHBondContact O-N 3.46Å; M41-A45 WeakPolarHBondContact O-CB 3.49Å; M41-A45 PolarHBondContact O-N 3.36Å; M41-E61 HydrophobicContact CE-CB 4.08Å; M41-E61 WeakPolarHBondContact CE-OE2 3.47Å; M41-L62 HydrophobicContact CB-CD1 4.26Å; M41-L65 HydrophobicContact SD-CD1 3.83Å; M41-L65 HydrophobicContact SD-CG 4.46Å |
| 42 | K | 96 | Very high | 95.7 | Very high | 66 Ų | 66 | 80.1 Ų | 80.1 | 29% | 0.287 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 176.9 | -78.3 | -178.2 | 176.7 | -175.5 | 0 | 112.6 | R38 R40 K46 L62 D70 | R38-K42 VanDerWaalsContact O-CB 3.24Å; R38-K42 WeakPolarHBondContact O-CB 3.45Å; R38-K42 VanDerWaalsContact O-CG 3.26Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-N 3.15Å; R40-K42 PolarHBondContact O-N 3.5Å; K42-K46 WeakPolarHBondContact O-CB 3.43Å; K42-K46 VanDerWaalsContact O-CG 3.31Å; K42-K46 WeakPolarHBondContact O-CG 3.32Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-K46 VanDerWaalsContact O-N 3.12Å; K42-L62 HydrophobicContact CG-CD1 4.02Å; K42-L62 HydrophobicContact CG-CD2 3.73Å; K42-D70 IonicContact NZ-OD2 3.93Å; K42-D70 PolarHBondContact NZ-OD2 3.4Å |
| 43 | A | 96.6 | Very high | 95.8 | Very high | 50 Ų | 50 | 81.3 Ų | 81.3 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T39 R40 M41 A45 K46 N47 | T39-A43 WeakPolarHBondContact O-CB 3.25Å; T39-A43 PolarHBondContact O-N 3.18Å; R40-A43 WeakPolarHBondContact O-CB 3.31Å; R40-A43 PolarHBondContact O-N 3.07Å; R40-A43 VanDerWaalsContact O-N 3.14Å; M41-A43 VanDerWaalsContact C-N 3.32Å; M41-A43 PolarHBondContact O-N 3.01Å; A43-A45 PolarHBondContact O-N 2.81Å; A43-K46 PolarHBondContact O-N 3.09Å; A43-N47 PolarHBondContact O-N 3.06Å; A43-N47 PolarHBondContact O-ND2 3.42Å; A43-N47 VanDerWaalsContact O-ND2 3.17Å; A43-N47 PolarHBondContact O-OD1 3.34Å |
| 44 | I | 96.7 | Very high | 95.8 | Very high | 56 Ų | 56 | 78.8 Ų | 78.8 | 29% | 0.287 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 179.1 | -57.7 | 169 | 0 | 0 | 0 | 111.1 | R40 M41 K46 N47 L50 I54 M58 | R40-I44 WeakPolarHBondContact O-CG1 3.49Å; R40-I44 PolarHBondContact O-N 3.42Å; R40-I44 VanDerWaalsContact O-N 3.1Å; M41-I44 PolarHBondContact O-N 3.46Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.2Å; I44-N47 WeakPolarHBondContact CA-ND2 3.24Å; I44-N47 PolarHBondContact O-N 2.92Å; I44-L50 HydrophobicContact CB-CD1 4.47Å; I44-L50 HydrophobicContact CG2-CD1 3.56Å; I44-I54 HydrophobicContact CG2-CG2 4.02Å; I44-M58 HydrophobicContact CB-CG 3.96Å; I44-M58 HydrophobicContact CD1-SD 4.05Å; I44-M58 HydrophobicContact CG2-CB 4.44Å; I44-M58 HydrophobicContact CG2-CG 3.56Å; I44-M58 HydrophobicContact CG2-SD 4.4Å |
| 45 | A | 95.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 77.5 Ų | 77.5 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.8 | -32.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M41 A43 K55 M58 E59 | M41-A45 WeakPolarHBondContact O-CB 3.49Å; M41-A45 PolarHBondContact O-N 3.36Å; A43-A45 PolarHBondContact O-N 2.81Å; A45-K55 WeakPolarHBondContact O-CE 3.37Å; A45-M58 HydrophobicContact CB-CB 4.35Å; A45-E59 HydrophobicContact CB-CG 3.87Å |
| 46 | K | 95.3 | Very high | 96 | Very high | 164 Ų | 164 | 82.2 Ų | 82.2 | 71% | 0.713 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -91.1 | -3.1 | -178.5 | -71.8 | -173 | 173.5 | -162.6 | 0 | 115 | K42 A43 I44 | K42-K46 WeakPolarHBondContact O-CB 3.43Å; K42-K46 VanDerWaalsContact O-CG 3.31Å; K42-K46 WeakPolarHBondContact O-CG 3.32Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-K46 VanDerWaalsContact O-N 3.12Å; A43-K46 PolarHBondContact O-N 3.09Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.2Å |
| 47 | N | 95.5 | Very high | 96 | Very high | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 44% | 0.441 | S | S | . | . | trans | -71 | 140.7 | -179.4 | -74.5 | -32.6 | 0 | 0 | 0 | 111.6 | A43 I44 L50 K55 | A43-N47 PolarHBondContact O-N 3.06Å; A43-N47 PolarHBondContact O-ND2 3.42Å; A43-N47 VanDerWaalsContact O-ND2 3.17Å; A43-N47 PolarHBondContact O-OD1 3.34Å; I44-N47 WeakPolarHBondContact CA-ND2 3.24Å; I44-N47 PolarHBondContact O-N 2.92Å; N47-L50 HydrophobicContact CB-CB 4.46Å; N47-L50 HydrophobicContact CB-CD1 3.88Å; N47-L50 HydrophobicContact CB-CG 3.99Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.39Å; N47-K55 VanDerWaalsContact O-CD 3.31Å; N47-K55 WeakPolarHBondContact O-CD 3.45Å; N47-K55 WeakPolarHBondContact O-CE 3.43Å; N47-K55 PolarHBondContact O-NZ 3Å | ||
| 48 | D | 94.6 | Very high | 96.1 | Very high | 150 Ų | 150 | 81.5 Ų | 81.5 | 80% | 0.802 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -88.5 | -23.4 | 178.6 | -64.5 | -36.5 | 0 | 0 | 0 | 113.4 | ||
| 49 | V | 96.2 | Very high | 96.1 | Very high | 142 Ų | 142 | 84.9 Ų | 84.9 | 86% | 0.861 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -80.5 | -27.2 | -175.7 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 50 | L | 94.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 88.3 Ų | 88.3 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -77.8 | 147.9 | -171.8 | -65.3 | 178.9 | 0 | 0 | 0 | 112.4 | I44 N47 T52 K55 | I44-L50 HydrophobicContact CB-CD1 4.47Å; I44-L50 HydrophobicContact CG2-CD1 3.56Å; N47-L50 HydrophobicContact CB-CB 4.46Å; N47-L50 HydrophobicContact CB-CD1 3.88Å; N47-L50 HydrophobicContact CB-CG 3.99Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.39Å; L50-T52 PolarHBondContact O-N 2.9Å; L50-K55 HydrophobicContact CB-CG 4.34Å |
| 51 | P | 96.8 | Very high | 96.1 | Very high | 78 Ų | 78 | 83.7 Ų | 83.7 | 51% | 0.506 | 44% | 0.439 | S | S | . | . | trans | -51.7 | 139.4 | 171.4 | -27.3 | 34 | 0 | 0 | 0 | 112.7 | A53 I54 K55 | P51-A53 PolarHBondContact O-N 2.96Å; P51-I54 HydrophobicContact CB-CD1 4.46Å; P51-I54 HydrophobicContact CG-CD1 4.26Å; P51-I54 PolarHBondContact O-N 3.49Å; P51-K55 PolarHBondContact O-N 3.35Å | ||
| 52 | T | 96 | Very high | 96.1 | Very high | 103 Ų | 103 | 83.8 Ų | 83.8 | 63% | 0.632 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.6 | -29 | -177.9 | 55 | 0 | 0 | 0 | 0 | 113.3 | L50 K55 K56 | L50-T52 PolarHBondContact O-N 2.9Å; T52-K55 PolarHBondContact O-N 2.7Å; T52-K56 WeakPolarHBondContact O-CG 3.16Å; T52-K56 PolarHBondContact O-N 3.31Å |
| 53 | A | 96.4 | Very high | 96.1 | Very high | 69 Ų | 69 | 87 Ų | 87 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.4 | -49.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | P51 K55 K56 E57 | P51-A53 PolarHBondContact O-N 2.96Å; A53-K55 VanDerWaalsContact C-N 3.33Å; A53-K55 PolarHBondContact O-N 3Å; A53-K56 PolarHBondContact O-N 3.04Å; A53-E57 PolarHBondContact O-N 3.22Å |
| 54 | I | 96.4 | Very high | 96 | Very high | 69 Ų | 69 | 89.1 Ų | 89.1 | 35% | 0.354 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 179 | -63.3 | 172.8 | 0 | 0 | 0 | 110.3 | I44 P51 K56 E57 M58 | I44-I54 HydrophobicContact CG2-CG2 4.02Å; P51-I54 HydrophobicContact CB-CD1 4.46Å; P51-I54 HydrophobicContact CG-CD1 4.26Å; P51-I54 PolarHBondContact O-N 3.49Å; I54-K56 PolarHBondContact O-N 3.37Å; I54-E57 PolarHBondContact O-N 3.17Å; I54-M58 WeakPolarHBondContact O-CG 3.39Å; I54-M58 PolarHBondContact O-N 3.02Å |
| 55 | K | 96.7 | Very high | 95.9 | Very high | 43 Ų | 43 | 87.6 Ų | 87.6 | 19% | 0.187 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 177.3 | -64.8 | 175.4 | 63.3 | 164.4 | 0 | 111.4 | A45 N47 L50 P51 T52 A53 E57 M58 E59 | A45-K55 WeakPolarHBondContact O-CE 3.37Å; N47-K55 VanDerWaalsContact O-CD 3.31Å; N47-K55 WeakPolarHBondContact O-CD 3.45Å; N47-K55 WeakPolarHBondContact O-CE 3.43Å; N47-K55 PolarHBondContact O-NZ 3Å; L50-K55 HydrophobicContact CB-CG 4.34Å; P51-K55 PolarHBondContact O-N 3.35Å; T52-K55 PolarHBondContact O-N 2.7Å; A53-K55 VanDerWaalsContact C-N 3.33Å; A53-K55 PolarHBondContact O-N 3Å; K55-E57 VanDerWaalsContact C-N 3.33Å; K55-E57 PolarHBondContact O-N 3.31Å; K55-M58 PolarHBondContact O-N 3.18Å; K55-E59 WeakPolarHBondContact O-CG 3.37Å; K55-E59 PolarHBondContact O-N 3.13Å |
| 56 | K | 96.2 | Very high | 96 | Very high | 142 Ų | 142 | 89.7 Ų | 89.7 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.3 | -37.5 | 178.9 | -74 | 178.2 | 179.3 | -178.1 | 0 | 112.5 | T52 A53 I54 E59 K60 | T52-K56 WeakPolarHBondContact O-CG 3.16Å; T52-K56 PolarHBondContact O-N 3.31Å; A53-K56 PolarHBondContact O-N 3.04Å; I54-K56 PolarHBondContact O-N 3.37Å; K56-E59 PolarHBondContact O-N 2.82Å; K56-K60 WeakPolarHBondContact O-CB 3.31Å; K56-K60 PolarHBondContact O-N 3.29Å |
| 57 | E | 97.1 | Very high | 95.9 | Very high | 109 Ų | 109 | 90.6 Ų | 90.6 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 174.9 | -175.5 | 173.6 | -158.7 | 0 | 0 | 111.3 | A53 I54 K55 E59 K60 E61 | A53-E57 PolarHBondContact O-N 3.22Å; I54-E57 PolarHBondContact O-N 3.17Å; K55-E57 VanDerWaalsContact C-N 3.33Å; K55-E57 PolarHBondContact O-N 3.31Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.12Å; E57-K60 WeakPolarHBondContact O-CB 3.4Å; E57-K60 PolarHBondContact O-N 3.38Å; E57-K60 VanDerWaalsContact O-N 3.1Å; E57-E61 PolarHBondContact O-N 3.28Å |
| 58 | M | 96.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 91 Ų | 91 | 13% | 0.128 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 177.2 | -65.9 | -66.3 | 103.9 | 0 | 0 | 113 | I44 A45 I54 K55 E61 L62 | I44-M58 HydrophobicContact CB-CG 3.96Å; I44-M58 HydrophobicContact CD1-SD 4.05Å; I44-M58 HydrophobicContact CG2-CB 4.44Å; I44-M58 HydrophobicContact CG2-CG 3.56Å; I44-M58 HydrophobicContact CG2-SD 4.4Å; A45-M58 HydrophobicContact CB-CB 4.35Å; I54-M58 WeakPolarHBondContact O-CG 3.39Å; I54-M58 PolarHBondContact O-N 3.02Å; K55-M58 PolarHBondContact O-N 3.18Å; M58-E61 VanDerWaalsContact CE-OE2 3.29Å; M58-E61 WeakPolarHBondContact CE-OE2 3.4Å; M58-E61 PolarHBondContact O-N 3.12Å; M58-L62 VanDerWaalsContact O-CB 3.24Å; M58-L62 WeakPolarHBondContact O-CB 3.49Å; M58-L62 PolarHBondContact O-N 3.29Å |
| 59 | E | 96 | Very high | 95.9 | Very high | 94 Ų | 94 | 83.9 Ų | 83.9 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 172.7 | -74.8 | 177.8 | 173.9 | 0 | 0 | 111.8 | A45 K55 K56 E57 L62 N63 | A45-E59 HydrophobicContact CB-CG 3.87Å; K55-E59 WeakPolarHBondContact O-CG 3.37Å; K55-E59 PolarHBondContact O-N 3.13Å; K56-E59 PolarHBondContact O-N 2.82Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.12Å; E59-L62 PolarHBondContact O-N 2.77Å; E59-N63 WeakPolarHBondContact O-CB 3.35Å; E59-N63 VanDerWaalsContact O-CG 3.24Å; E59-N63 PolarHBondContact O-N 3.17Å; E59-N63 PolarHBondContact O-ND2 3.05Å; E59-N63 VanDerWaalsContact O-ND2 3.1Å |
| 60 | K | 96.8 | Very high | 95.8 | Very high | 164 Ų | 164 | 78.1 Ų | 78.1 | 71% | 0.713 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 175.1 | -172.8 | -176.7 | 177.9 | -174.2 | 0 | 111.1 | K56 E57 N63 S64 | K56-K60 WeakPolarHBondContact O-CB 3.31Å; K56-K60 PolarHBondContact O-N 3.29Å; E57-K60 WeakPolarHBondContact O-CB 3.4Å; E57-K60 PolarHBondContact O-N 3.38Å; E57-K60 VanDerWaalsContact O-N 3.1Å; K60-N63 PolarHBondContact O-N 2.83Å; K60-S64 PolarHBondContact O-N 2.98Å |
| 61 | E | 96.1 | Very high | 95.8 | Very high | 74 Ų | 74 | 78.2 Ų | 78.2 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.3 | -70.4 | -174 | 178.4 | 0 | 0 | 111.8 | M41 E57 M58 N63 S64 L65 | M41-E61 HydrophobicContact CE-CB 4.08Å; M41-E61 WeakPolarHBondContact CE-OE2 3.47Å; E57-E61 PolarHBondContact O-N 3.28Å; M58-E61 VanDerWaalsContact CE-OE2 3.29Å; M58-E61 WeakPolarHBondContact CE-OE2 3.4Å; M58-E61 PolarHBondContact O-N 3.12Å; E61-N63 PolarHBondContact O-N 3.09Å; E61-S64 WeakPolarHBondContact O-CB 3.32Å; E61-S64 PolarHBondContact O-N 2.76Å; E61-S64 PolarHBondContact O-OG 3.02Å; E61-L65 PolarHBondContact O-N 2.9Å |
| 62 | L | 95.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 80.5 Ų | 80.5 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.8 | -35 | 178 | -176.9 | 69.1 | 0 | 0 | 0 | 112.3 | R38 M41 K42 M58 E59 L65 | R38-L62 HydrophobicContact CB-CD1 4.43Å; R38-L62 HydrophobicContact CG-CD1 4.25Å; R38-L62 PolarHBondContact NH1-O 2.88Å; M41-L62 HydrophobicContact CB-CD1 4.26Å; K42-L62 HydrophobicContact CG-CD1 4.02Å; K42-L62 HydrophobicContact CG-CD2 3.73Å; M58-L62 VanDerWaalsContact O-CB 3.24Å; M58-L62 WeakPolarHBondContact O-CB 3.49Å; M58-L62 PolarHBondContact O-N 3.29Å; E59-L62 PolarHBondContact O-N 2.77Å; L62-L65 HydrophobicContact CD1-CD1 4.31Å |
| 63 | N | 94.8 | Very high | 95.5 | Very high | 133 Ų | 133 | 79.3 Ų | 79.3 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -77.4 | -26.5 | 176.9 | -72 | -29.5 | 0 | 0 | 0 | 113.3 | E59 K60 E61 L65 | E59-N63 WeakPolarHBondContact O-CB 3.35Å; E59-N63 VanDerWaalsContact O-CG 3.24Å; E59-N63 PolarHBondContact O-N 3.17Å; E59-N63 PolarHBondContact O-ND2 3.05Å; E59-N63 VanDerWaalsContact O-ND2 3.1Å; K60-N63 PolarHBondContact O-N 2.83Å; E61-N63 PolarHBondContact O-N 3.09Å; N63-L65 VanDerWaalsContact C-N 3.31Å |
| 64 | S | 95.6 | Very high | 95.3 | Very high | 95 Ų | 95 | 78.4 Ų | 78.4 | 66% | 0.664 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -74.5 | -19.5 | 174.4 | 73.2 | 0 | 0 | 0 | 0 | 113.9 | K60 E61 | K60-S64 PolarHBondContact O-N 2.98Å; E61-S64 WeakPolarHBondContact O-CB 3.32Å; E61-S64 PolarHBondContact O-N 2.76Å; E61-S64 PolarHBondContact O-OG 3.02Å |
| 65 | L | 95.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 81 Ų | 81 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -60.7 | 153.6 | 176.8 | -68.7 | -179.7 | 0 | 0 | 0 | 111.6 | Y34 L37 R38 M41 E61 L62 N63 R67 | Y34-L65 HydrophobicContact CD1-CD2 4Å; Y34-L65 HydrophobicContact CE1-CD2 3.99Å; L37-L65 HydrophobicContact CD2-CD1 4.45Å; L37-L65 HydrophobicContact CD2-CD2 3.88Å; R38-L65 HydrophobicContact CG-CD1 3.49Å; R38-L65 VanDerWaalsContact CG-CD1 3.49Å; M41-L65 HydrophobicContact SD-CD1 3.83Å; M41-L65 HydrophobicContact SD-CG 4.46Å; E61-L65 PolarHBondContact O-N 2.9Å; L62-L65 HydrophobicContact CD1-CD1 4.31Å; N63-L65 VanDerWaalsContact C-N 3.31Å; L65-R67 PolarHBondContact O-N 3.19Å; L65-R67 VanDerWaalsContact O-N 3.16Å |
| 66 | P | 96.2 | Very high | 94.7 | Very high | 53 Ų | 53 | 81.6 Ų | 81.6 | 34% | 0.344 | 40% | 0.398 | S | S | . | . | trans | -52.3 | 125.5 | 178.4 | -27.3 | 35 | 0 | 0 | 0 | 111.5 | L30 Y34 H68 S69 | L30-P66 HydrophobicContact CD2-CB 4.1Å; Y34-P66 HydrophobicContact CE2-CG 4.18Å; P66-H68 PolarHBondContact O-N 3.06Å; P66-S69 WeakPolarHBondContact O-CB 3.5Å; P66-S69 PolarHBondContact O-N 3.07Å; P66-S69 PolarHBondContact O-OG 3.17Å | ||
| 67 | R | 94.1 | Very high | 94.5 | Very high | 183 Ų | 183 | 75.3 Ų | 75.3 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -47.8 | -42.2 | -174.4 | -178.8 | 178.1 | 178.1 | 175.7 | 3.4 | 113.7 | L65 S69 D70 Y73 | L65-R67 PolarHBondContact O-N 3.19Å; L65-R67 VanDerWaalsContact O-N 3.16Å; R67-S69 VanDerWaalsContact C-N 3.25Å; R67-S69 PolarHBondContact O-N 3.14Å; R67-D70 PolarHBondContact O-N 3Å; R67-Y73 HydrophobicContact CG-CE1 4.44Å; R67-Y73 HydrophobicContact CG-CE2 3.9Å; R67-Y73 WeakPolarHBondContact CG-OH 3.43Å; R67-Y73 PolarHBondContact NE-OH 3.44Å; R67-Y73 WeakPolarHBondContact O-CD2 2.92Å; R67-Y73 WeakPolarHBondContact O-CE2 3.48Å |
| 68 | H | 95.1 | Very high | 94.3 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -79.7 | 0.7 | -177.5 | -72.9 | -37.9 | 0 | 0 | 0 | 115.1 | R27 L30 P66 Y73 | R27-H68 HydrophobicContact CG-CB 4.12Å; L30-H68 HydrophobicContact CD2-CB 3.82Å; P66-H68 PolarHBondContact O-N 3.06Å; H68-Y73 AromaticContact ND1-CD1 4Å; H68-Y73 AromaticContact ND1-CG 3.9Å |
| 69 | S | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -73.8 | -14 | 169.3 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | V31 R38 P66 R67 | V31-S69 WeakPolarHBondContact CG2-O 3.48Å; R38-S69 WeakPolarHBondContact CD-O 2.89Å; R38-S69 PolarHBondContact NH1-OG 2.91Å; P66-S69 WeakPolarHBondContact O-CB 3.5Å; P66-S69 PolarHBondContact O-N 3.07Å; P66-S69 PolarHBondContact O-OG 3.17Å; R67-S69 VanDerWaalsContact C-N 3.25Å; R67-S69 PolarHBondContact O-N 3.14Å |
| 70 | D | 94.2 | Very high | 93.5 | Very high | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -76.3 | 128.7 | 176.7 | -166.1 | -65.8 | 0 | 0 | 0 | 111.6 | R38 K42 R67 N72 Y73 | R38-D70 IonicContact CZ-OD2 3.32Å; R38-D70 IonicContact NE-OD2 2.98Å; R38-D70 IonicContact NH2-OD2 2.73Å; R38-D70 PolarHBondContact NH2-OD2 3.5Å; K42-D70 IonicContact NZ-OD2 3.93Å; K42-D70 PolarHBondContact NZ-OD2 3.4Å; R67-D70 PolarHBondContact O-N 3Å; D70-N72 PolarHBondContact O-N 3.08Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.13Å; D70-N72 PolarHBondContact OD1-N 3.08Å; D70-N72 PolarHBondContact OD1-ND2 2.74Å; D70-Y73 HydrophobicContact CB-CD2 3.77Å; D70-Y73 HydrophobicContact CB-CE2 3.89Å; D70-Y73 PolarHBondContact O-N 3.19Å; D70-Y73 VanDerWaalsContact O-N 3.13Å |
| 71 | P | 93.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 67 Ų | 67 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -60.1 | -21.5 | -179.7 | 24.6 | -35.5 | 0 | 0 | 0 | 114.1 | V31 Y73 L74 | V31-P71 HydrophobicContact CG1-CB 4.35Å; P71-Y73 PolarHBondContact O-N 3.13Å; P71-L74 WeakPolarHBondContact O-CB 3.42Å; P71-L74 WeakPolarHBondContact O-CG 3.48Å; P71-L74 PolarHBondContact O-N 2.91Å |
| 72 | N | 94.1 | Very high | 93 | Very high | 125 Ų | 125 | 63.8 Ų | 63.8 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.7 | 177.2 | -67.5 | -22.3 | 0 | 0 | 0 | 113.1 | D70 L74 | D70-N72 PolarHBondContact O-N 3.08Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.13Å; D70-N72 PolarHBondContact OD1-N 3.08Å; D70-N72 PolarHBondContact OD1-ND2 2.74Å; N72-L74 VanDerWaalsContact C-N 3.33Å |
| 73 | Y | 92.7 | Very high | 92.9 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -81 | -12.1 | 176.8 | -68.5 | -75.5 | 0 | 0 | 0 | 113.9 | R67 H68 D70 P71 | R67-Y73 HydrophobicContact CG-CE1 4.44Å; R67-Y73 HydrophobicContact CG-CE2 3.9Å; R67-Y73 WeakPolarHBondContact CG-OH 3.43Å; R67-Y73 PolarHBondContact NE-OH 3.44Å; R67-Y73 WeakPolarHBondContact O-CD2 2.92Å; R67-Y73 WeakPolarHBondContact O-CE2 3.48Å; H68-Y73 AromaticContact ND1-CD1 4Å; H68-Y73 AromaticContact ND1-CG 3.9Å; D70-Y73 HydrophobicContact CB-CD2 3.77Å; D70-Y73 HydrophobicContact CB-CE2 3.89Å; D70-Y73 PolarHBondContact O-N 3.19Å; D70-Y73 VanDerWaalsContact O-N 3.13Å; P71-Y73 PolarHBondContact O-N 3.13Å |
| 74 | L | 92.6 | Very high | 92.8 | Very high | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | trans | -70.4 | 138.9 | 175.3 | -60.2 | -176.8 | 0 | 0 | 0 | 110.1 | R27 R28 V31 P71 N72 | R27-L74 HydrophobicContact CB-CD2 3.79Å; R28-L74 HydrophobicContact CB-CD2 4.39Å; R28-L74 HydrophobicContact CG-CD1 4.33Å; R28-L74 HydrophobicContact CG-CD2 3.61Å; V31-L74 HydrophobicContact CB-CD1 4.38Å; V31-L74 HydrophobicContact CG1-CD1 4.2Å; V31-L74 HydrophobicContact CG2-CD1 4.15Å; V31-L74 HydrophobicContact CG2-CD2 4Å; V31-L74 HydrophobicContact CG2-CG 4.09Å; P71-L74 WeakPolarHBondContact O-CB 3.42Å; P71-L74 WeakPolarHBondContact O-CG 3.48Å; P71-L74 PolarHBondContact O-N 2.91Å; N72-L74 VanDerWaalsContact C-N 3.33Å | ||
| 75 | K | 91.3 | Very high | 92.7 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | trans | -119.5 | 138 | 176.3 | -61.3 | -61 | 176.5 | -160.7 | 0 | 110.2 | D24 R28 T77 | D24-K75 PolarHBondContact OD1-N 3.29Å; R28-K75 PolarHBondContact NH2-O 3.39Å; R28-K75 VanDerWaalsContact NH2-O 3.14Å; K75-T77 HydrophobicContact CB-CG2 4.3Å; K75-T77 PolarHBondContact O-N 3.32Å | ||
| 76 | N | 90.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | trans | -73.6 | 96 | 171.2 | -173.8 | 10.9 | 0 | 0 | 0 | 108.9 | N87 T89 | N76-N87 PolarHBondContact O-ND2 2.98Å; N76-T89 PolarHBondContact ND2-OG1 3.32Å; N76-T89 VanDerWaalsContact ND2-OG1 3.17Å | ||
| 77 | T | 91.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 73.4 Ų | 73.4 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | trans | -103 | 147.1 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | K75 Q79 R83 N87 | K75-T77 HydrophobicContact CB-CG2 4.3Å; K75-T77 PolarHBondContact O-N 3.32Å; T77-Q79 PolarHBondContact O-N 3.02Å; T77-Q79 PolarHBondContact O-NE2 3Å; T77-R83 WeakPolarHBondContact CA-O 3.25Å; T77-N87 WeakPolarHBondContact CA-ND2 3.43Å | ||
| 78 | C | 91.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -63.7 | 127.3 | 173.1 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | M80 T81 G82 R83 N87 R92 S94 I97 | C78-M80 VanDerWaalsContact C-N 3.25Å; C78-M80 PolarHBondContact O-N 3.14Å; C78-T81 PolarHBondContact SG-OG1 3.24Å; C78-G82 VanDerWaalsContact O-CA 3.25Å; C78-G82 WeakPolarHBondContact O-CA 3.23Å; C78-G82 PolarHBondContact O-N 3.32Å; C78-R83 HydrophobicContact CB-CB 4.05Å; C78-R83 PolarHBondContact N-O 2.84Å; C78-N87 PolarHBondContact N-ND2 3.14Å; C78-R92 WeakPolarHBondContact CA-O 3.48Å; C78-S94 PolarHBondContact SG-N 2.96Å; C78-I97 VanDerWaalsContact SG-CD1 3.57Å | ||
| 79 | Q | 88.7 | Confident | 92.6 | Very high | 54 Ų | 54 | 68 Ų | 68 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.3 | -176.3 | -60.5 | -57.7 | -64.8 | 0 | 0 | 113.6 | M21 T77 R92 | M21-Q79 WeakPolarHBondContact CE-O 3.43Å; T77-Q79 PolarHBondContact O-N 3.02Å; T77-Q79 PolarHBondContact O-NE2 3Å; Q79-R92 HydrophobicContact CG-CB 3.85Å; Q79-R92 PolarHBondContact N-O 2.89Å |
| 80 | M | 88.3 | Confident | 92.4 | Very high | 105 Ų | 105 | 78.1 Ų | 78.1 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -50.7 | 179.6 | -62.1 | -65.6 | -76.3 | 0 | 0 | 112.4 | A17 C78 L93 I97 | A17-M80 WeakPolarHBondContact CB-O 3.24Å; C78-M80 VanDerWaalsContact C-N 3.25Å; C78-M80 PolarHBondContact O-N 3.14Å; M80-L93 HydrophobicContact CB-CD2 4.49Å; M80-L93 HydrophobicContact CG-CD2 3.65Å; M80-I97 HydrophobicContact CB-CD1 3.54Å; M80-I97 HydrophobicContact CG-CD1 4.29Å |
| 81 | T | 91 | Very high | 92.3 | Very high | 59 Ų | 59 | 80.5 Ų | 80.5 | 36% | 0.362 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -13 | -173.1 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | C78 R83 I97 | C78-T81 PolarHBondContact SG-OG1 3.24Å; T81-R83 VanDerWaalsContact C-N 3.26Å; T81-R83 PolarHBondContact O-N 3.14Å; T81-I97 HydrophobicContact CG2-CD1 3.4Å; T81-I97 HydrophobicContact CG2-CG1 4.28Å |
| 82 | G | 90.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 80.9 Ų | 80.9 | 7% | 0.072 | 38% | 0.376 | C | S | . | . | trans | 70.2 | 17.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M21 C78 R84 | M21-G82 WeakPolarHBondContact SD-CA 3.13Å; C78-G82 VanDerWaalsContact O-CA 3.25Å; C78-G82 WeakPolarHBondContact O-CA 3.23Å; C78-G82 PolarHBondContact O-N 3.32Å; G82-R84 PolarHBondContact O-N 2.75Å | ||
| 83 | R | 92.9 | Very high | 92.2 | Very high | 74 Ų | 74 | 75.8 Ų | 75.8 | 28% | 0.279 | 35% | 0.349 | S | S | . | . | trans | -59.9 | 132.6 | 175.5 | -165.3 | -176 | -172.2 | -179.7 | 3 | 110.7 | T77 C78 T81 R85 N87 | T77-R83 WeakPolarHBondContact CA-O 3.25Å; C78-R83 HydrophobicContact CB-CB 4.05Å; C78-R83 PolarHBondContact N-O 2.84Å; T81-R83 VanDerWaalsContact C-N 3.26Å; T81-R83 PolarHBondContact O-N 3.14Å; R83-R85 VanDerWaalsContact CD-O 3.23Å; R83-R85 WeakPolarHBondContact CD-O 3.43Å; R83-R85 WeakPolarHBondContact CG-O 3.35Å; R83-R85 PolarHBondContact NE-O 3.22Å; R83-N87 PolarHBondContact O-ND2 3.17Å | ||
| 84 | R | 93.2 | Very high | 92.3 | Very high | 175 Ų | 175 | 72.1 Ų | 72.1 | 66% | 0.66 | 34% | 0.335 | S | S | * | . | trans | -85.6 | -26 | -175.2 | -66.3 | -172.7 | 178.9 | -165.3 | 3.2 | 115.3 | G82 | G82-R84 PolarHBondContact O-N 2.75Š| ||
| 85 | R | 94.2 | Very high | 92.5 | Very high | 214 Ų | 214 | 76.9 Ų | 76.9 | 81% | 0.808 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -130.1 | 157.5 | -173.2 | -63 | -176.3 | -177.9 | 176 | 0.6 | 110.3 | R83 | R83-R85 VanDerWaalsContact CD-O 3.23Å; R83-R85 WeakPolarHBondContact CD-O 3.43Å; R83-R85 WeakPolarHBondContact CG-O 3.35Å; R83-R85 PolarHBondContact NE-O 3.22Å |
| 86 | G | 95.5 | Very high | 92.7 | Very high | 42 Ų | 42 | 75.9 Ų | 75.9 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 65.5 | 46.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R95 | G86-R95 PolarHBondContact O-N 2.84Š|
| 87 | N | 95.2 | Very high | 93 | Very high | 24 Ų | 24 | 74.5 Ų | 74.5 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.2 | 178.5 | -63.2 | -27.5 | 0 | 0 | 0 | 109.7 | N76 T77 C78 R83 T89 L93 S94 | N76-N87 PolarHBondContact O-ND2 2.98Å; T77-N87 WeakPolarHBondContact CA-ND2 3.43Å; C78-N87 PolarHBondContact N-ND2 3.14Å; R83-N87 PolarHBondContact O-ND2 3.17Å; N87-T89 PolarHBondContact O-N 3.17Å; N87-L93 CarbonylContact C-O 3.52Å; N87-L93 VanDerWaalsContact CA-O 3.25Å; N87-L93 WeakPolarHBondContact CA-O 3.36Å; N87-S94 WeakPolarHBondContact OD1-CA 3.4Å |
| 88 | V | 94.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 76.1 Ų | 76.1 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 107.2 | 174.9 | -170.6 | 0 | 0 | 0 | 0 | 107.7 | R90 Y91 R92 L93 F98 | V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.03Å; V88-Y91 HydrophobicContact CB-CD2 4.32Å; V88-Y91 HydrophobicContact CG1-CD2 3.67Å; V88-Y91 HydrophobicContact CG1-CE2 4.32Å; V88-Y91 PolarHBondContact O-N 3.41Å; V88-Y91 VanDerWaalsContact O-N 3.13Å; V88-R92 PolarHBondContact O-N 3.47Å; V88-L93 PolarHBondContact N-O 3.06Å; V88-F98 HydrophobicContact CG2-CB 4.1Å; V88-F98 HydrophobicContact CG2-CD1 4Å; V88-F98 HydrophobicContact CG2-CD2 4.38Å; V88-F98 HydrophobicContact CG2-CG 3.87Å |
| 89 | T | 92.3 | Very high | 93.4 | Very high | 101 Ų | 101 | 83.3 Ų | 83.3 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -39.8 | -170.3 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | N76 N87 Y91 R92 | N76-T89 PolarHBondContact ND2-OG1 3.32Å; N76-T89 VanDerWaalsContact ND2-OG1 3.17Å; N87-T89 PolarHBondContact O-N 3.17Å; T89-Y91 VanDerWaalsContact C-N 3.33Å; T89-Y91 PolarHBondContact O-N 2.83Å; T89-R92 WeakPolarHBondContact O-CG 3.47Å; T89-R92 PolarHBondContact O-N 3.13Å |
| 90 | R | 92.2 | Very high | 93.8 | Very high | 214 Ų | 214 | 84.4 Ų | 84.4 | 81% | 0.808 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -42.5 | 178.5 | -174.4 | 178.6 | -178.7 | -173.8 | 0.5 | 112.6 | V88 | V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.03Å |
| 91 | Y | 91.9 | Very high | 94.2 | Very high | 71 Ų | 71 | 81.5 Ų | 81.5 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -14.2 | -177 | -60.3 | -87.4 | 0 | 0 | 0 | 113.1 | V88 T89 L93 F98 L107 V110 | V88-Y91 HydrophobicContact CB-CD2 4.32Å; V88-Y91 HydrophobicContact CG1-CD2 3.67Å; V88-Y91 HydrophobicContact CG1-CE2 4.32Å; V88-Y91 PolarHBondContact O-N 3.41Å; V88-Y91 VanDerWaalsContact O-N 3.13Å; T89-Y91 VanDerWaalsContact C-N 3.33Å; T89-Y91 PolarHBondContact O-N 2.83Å; Y91-L93 PolarHBondContact O-N 3.4Å; Y91-F98 HydrophobicContact CD1-CD2 4.49Å; Y91-F98 HydrophobicContact CD1-CE2 4.29Å; Y91-F98 AromaticContact CD2-CD2 3.69Å; Y91-F98 HydrophobicContact CD2-CD2 3.69Å; Y91-F98 AromaticContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CZ 4.33Å; Y91-F98 HydrophobicContact CE1-CE2 4.23Å; Y91-F98 HydrophobicContact CE2-CD2 4.12Å; Y91-F98 AromaticContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CZ 4.01Å; Y91-F98 AromaticContact CG-CD2 3.91Å; Y91-F98 HydrophobicContact CG-CD2 3.91Å; Y91-F98 AromaticContact CG-CE2 3.89Å; Y91-F98 HydrophobicContact CG-CE2 3.89Å; Y91-F98 AromaticContact CZ-CE2 3.76Å; Y91-L107 HydrophobicContact CD1-CD1 4.43Å; Y91-L107 HydrophobicContact CD1-CD2 4.11Å; Y91-L107 HydrophobicContact CE1-CD1 4.33Å; Y91-L107 HydrophobicContact CE1-CD2 4.16Å; Y91-V110 WeakPolarHBondContact OH-CG2 3.38Å |
| 92 | R | 92.7 | Very high | 94.4 | Very high | 70 Ų | 70 | 79.6 Ų | 79.6 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 30.1 | -172.7 | -56 | -179.7 | 174.4 | 160.3 | -1.7 | 113.5 | C78 Q79 V88 T89 | C78-R92 WeakPolarHBondContact CA-O 3.48Å; Q79-R92 HydrophobicContact CG-CB 3.85Å; Q79-R92 PolarHBondContact N-O 2.89Å; V88-R92 PolarHBondContact O-N 3.47Å; T89-R92 WeakPolarHBondContact O-CG 3.47Å; T89-R92 PolarHBondContact O-N 3.13Å |
| 93 | L | 92.9 | Very high | 94.7 | Very high | 18 Ų | 18 | 82.9 Ų | 82.9 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 154.2 | 177.3 | -66.4 | 175 | 0 | 0 | 0 | 110.5 | M80 N87 V88 Y91 I97 F98 M101 | M80-L93 HydrophobicContact CB-CD2 4.49Å; M80-L93 HydrophobicContact CG-CD2 3.65Å; N87-L93 CarbonylContact C-O 3.52Å; N87-L93 VanDerWaalsContact CA-O 3.25Å; N87-L93 WeakPolarHBondContact CA-O 3.36Å; V88-L93 PolarHBondContact N-O 3.06Å; Y91-L93 PolarHBondContact O-N 3.4Å; L93-I97 HydrophobicContact CD1-CG2 4.22Å; L93-I97 HydrophobicContact CD2-CG2 4.03Å; L93-F98 HydrophobicContact CB-CB 4.34Å; L93-M101 HydrophobicContact CD1-CE 4.3Å; L93-M101 HydrophobicContact CD1-SD 3.44Å; L93-M101 WeakPolarHBondContact CD1-SD 3.48Å |
| 94 | S | 95.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 85.2 Ų | 85.2 | 1% | 0.014 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 151.8 | 168.6 | 75.6 | 0 | 0 | 0 | 0 | 109.8 | C78 N87 F96 I97 F98 | C78-S94 PolarHBondContact SG-N 2.96Å; N87-S94 WeakPolarHBondContact OD1-CA 3.4Å; S94-F96 PolarHBondContact O-N 3.42Å; S94-I97 PolarHBondContact O-N 3.5Å; S94-I97 VanDerWaalsContact O-N 3.13Å; S94-I97 WeakPolarHBondContact OG-CG1 3.25Å; S94-I97 PolarHBondContact OG-N 3.4Å; S94-F98 WeakPolarHBondContact O-CB 3.37Å; S94-F98 PolarHBondContact O-N 2.89Å |
| 95 | R | 96.1 | Very high | 94.9 | Very high | 148 Ų | 148 | 79.8 Ų | 79.8 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -52.2 | -30.3 | 176.7 | 59.2 | 178.3 | -106.6 | -179.1 | -1.9 | 114.6 | G86 R99 | G86-R95 PolarHBondContact O-N 2.84Å; R95-R99 VanDerWaalsContact O-CB 3.24Å; R95-R99 WeakPolarHBondContact O-CB 3.25Å; R95-R99 PolarHBondContact O-N 2.85Å |
| 96 | F | 96.6 | Very high | 95 | Very high | 102 Ų | 102 | 76.3 Ų | 76.3 | 45% | 0.447 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.1 | -47.7 | 179.5 | -60.2 | -51.8 | 0 | 0 | 0 | 111.5 | S94 R99 D100 | S94-F96 PolarHBondContact O-N 3.42Å; F96-R99 PolarHBondContact O-N 2.86Å; F96-D100 WeakPolarHBondContact O-CB 3.39Å; F96-D100 PolarHBondContact O-N 3.37Å |
| 97 | I | 94.8 | Very high | 94.9 | Very high | 27 Ų | 27 | 75.7 Ų | 75.7 | 14% | 0.138 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 178.2 | -59.3 | 169.3 | 0 | 0 | 0 | 110.5 | C78 M80 T81 L93 S94 R99 D100 M101 | C78-I97 VanDerWaalsContact SG-CD1 3.57Å; M80-I97 HydrophobicContact CB-CD1 3.54Å; M80-I97 HydrophobicContact CG-CD1 4.29Å; T81-I97 HydrophobicContact CG2-CD1 3.4Å; T81-I97 HydrophobicContact CG2-CG1 4.28Å; L93-I97 HydrophobicContact CD1-CG2 4.22Å; L93-I97 HydrophobicContact CD2-CG2 4.03Å; S94-I97 PolarHBondContact O-N 3.5Å; S94-I97 VanDerWaalsContact O-N 3.13Å; S94-I97 WeakPolarHBondContact OG-CG1 3.25Å; S94-I97 PolarHBondContact OG-N 3.4Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.13Å; I97-D100 PolarHBondContact O-N 3.24Å; I97-M101 HydrophobicContact CG2-CE 3.61Å; I97-M101 HydrophobicContact CG2-CG 4.2Å; I97-M101 HydrophobicContact CG2-SD 3.96Å; I97-M101 WeakPolarHBondContact O-CB 3.29Å; I97-M101 VanDerWaalsContact O-CG 3.29Å; I97-M101 WeakPolarHBondContact O-CG 3.44Å; I97-M101 PolarHBondContact O-N 3.01Å |
| 98 | F | 96.3 | Very high | 94.9 | Very high | 45 Ų | 45 | 80.5 Ų | 80.5 | 20% | 0.197 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.7 | 175.1 | -100.5 | 0 | 0 | 0 | 111 | V88 Y91 L93 S94 M101 A102 L107 V110 | V88-F98 HydrophobicContact CG2-CB 4.1Å; V88-F98 HydrophobicContact CG2-CD1 4Å; V88-F98 HydrophobicContact CG2-CD2 4.38Å; V88-F98 HydrophobicContact CG2-CG 3.87Å; Y91-F98 HydrophobicContact CD1-CD2 4.49Å; Y91-F98 HydrophobicContact CD1-CE2 4.29Å; Y91-F98 AromaticContact CD2-CD2 3.69Å; Y91-F98 HydrophobicContact CD2-CD2 3.69Å; Y91-F98 AromaticContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CZ 4.33Å; Y91-F98 HydrophobicContact CE1-CE2 4.23Å; Y91-F98 HydrophobicContact CE2-CD2 4.12Å; Y91-F98 AromaticContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CZ 4.01Å; Y91-F98 AromaticContact CG-CD2 3.91Å; Y91-F98 HydrophobicContact CG-CD2 3.91Å; Y91-F98 AromaticContact CG-CE2 3.89Å; Y91-F98 HydrophobicContact CG-CE2 3.89Å; Y91-F98 AromaticContact CZ-CE2 3.76Å; L93-F98 HydrophobicContact CB-CB 4.34Å; S94-F98 WeakPolarHBondContact O-CB 3.37Å; S94-F98 PolarHBondContact O-N 2.89Å; F98-M101 PolarHBondContact O-N 3.21Å; F98-A102 VanDerWaalsContact O-CB 3.24Å; F98-A102 WeakPolarHBondContact O-CB 3.4Å; F98-A102 PolarHBondContact O-N 2.9Å; F98-L107 HydrophobicContact CD2-CD1 3.6Å; F98-L107 HydrophobicContact CE2-CD1 3.51Å; F98-L107 HydrophobicContact CZ-CD1 4.43Å; F98-V110 HydrophobicContact CZ-CG1 4.01Å |
| 99 | R | 96.6 | Very high | 94.9 | Very high | 152 Ų | 152 | 81.9 Ų | 81.9 | 57% | 0.574 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.5 | -48.4 | 175.9 | -176.6 | -177.6 | 70.1 | 177.7 | 5.3 | 111.5 | R95 F96 I97 M101 A102 D103 | R95-R99 VanDerWaalsContact O-CB 3.24Å; R95-R99 WeakPolarHBondContact O-CB 3.25Å; R95-R99 PolarHBondContact O-N 2.85Å; F96-R99 PolarHBondContact O-N 2.86Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.13Å; R99-M101 VanDerWaalsContact C-N 3.34Å; R99-M101 PolarHBondContact O-N 3.5Å; R99-A102 PolarHBondContact O-N 3.4Å; R99-D103 VanDerWaalsContact CG-OD2 3.25Å; R99-D103 WeakPolarHBondContact CG-OD2 3.24Å; R99-D103 WeakPolarHBondContact O-CB 3.24Å; R99-D103 PolarHBondContact O-N 3.22Å |
| 100 | D | 96.7 | Very high | 95 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.3 | -47.3 | 178 | -178.2 | 70.5 | 0 | 0 | 0 | 111.8 | F96 I97 A102 H104 | F96-D100 WeakPolarHBondContact O-CB 3.39Å; F96-D100 PolarHBondContact O-N 3.37Å; I97-D100 PolarHBondContact O-N 3.24Å; D100-A102 PolarHBondContact O-N 3.43Å; D100-H104 PolarHBondContact O-N 2.73Å; D100-H104 PolarHBondContact O-ND1 2.87Å; D100-H104 IonicContact OD1-CE1 3.38Å; D100-H104 PolarHBondContact OD1-CE1 3.27Å; D100-H104 IonicContact OD1-ND1 3.67Å; D100-H104 PolarHBondContact OD1-ND1 3.39Å |
| 101 | M | 96.2 | Very high | 95.1 | Very high | 44 Ų | 44 | 75.8 Ų | 75.8 | 22% | 0.217 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 177.3 | -69.5 | -178.7 | 175.2 | 0 | 0 | 113 | L93 I97 F98 R99 G105 K106 L107 | L93-M101 HydrophobicContact CD1-CE 4.3Å; L93-M101 HydrophobicContact CD1-SD 3.44Å; L93-M101 WeakPolarHBondContact CD1-SD 3.48Å; I97-M101 HydrophobicContact CG2-CE 3.61Å; I97-M101 HydrophobicContact CG2-CG 4.2Å; I97-M101 HydrophobicContact CG2-SD 3.96Å; I97-M101 WeakPolarHBondContact O-CB 3.29Å; I97-M101 VanDerWaalsContact O-CG 3.29Å; I97-M101 WeakPolarHBondContact O-CG 3.44Å; I97-M101 PolarHBondContact O-N 3.01Å; F98-M101 PolarHBondContact O-N 3.21Å; R99-M101 VanDerWaalsContact C-N 3.34Å; R99-M101 PolarHBondContact O-N 3.5Å; M101-G105 PolarHBondContact O-N 3.17Å; M101-K106 HydrophobicContact CB-CB 4.21Å; M101-K106 HydrophobicContact CG-CD 4.4Å; M101-K106 WeakPolarHBondContact O-CB 3.43Å; M101-K106 PolarHBondContact O-N 3.35Å; M101-L107 HydrophobicContact CB-CD1 3.98Å; M101-L107 HydrophobicContact CB-CD2 4.41Å; M101-L107 HydrophobicContact CB-CG 3.87Å |
| 102 | A | 96.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 81.7 Ų | 81.7 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.7 | -46.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F98 R99 D100 H104 G105 L107 V110 | F98-A102 VanDerWaalsContact O-CB 3.24Å; F98-A102 WeakPolarHBondContact O-CB 3.4Å; F98-A102 PolarHBondContact O-N 2.9Å; R99-A102 PolarHBondContact O-N 3.4Å; D100-A102 PolarHBondContact O-N 3.43Å; A102-H104 VanDerWaalsContact C-N 3.26Å; A102-H104 PolarHBondContact O-N 3.17Å; A102-G105 PolarHBondContact O-N 2.77Å; A102-L107 HydrophobicContact CB-CD1 4.26Å; A102-V110 HydrophobicContact CB-CB 4.42Å; A102-V110 HydrophobicContact CB-CG1 3.66Å |
| 103 | D | 96.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 81.5 Ų | 81.5 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -32.4 | -179.4 | -75.5 | -31.5 | 0 | 0 | 0 | 111.8 | R99 G105 R112 | R99-D103 VanDerWaalsContact CG-OD2 3.25Å; R99-D103 WeakPolarHBondContact CG-OD2 3.24Å; R99-D103 WeakPolarHBondContact O-CB 3.24Å; R99-D103 PolarHBondContact O-N 3.22Å; D103-G105 VanDerWaalsContact C-N 3.32Å; D103-R112 IonicContact OD1-CZ 3.46Å; D103-R112 IonicContact OD1-NE 3.27Å; D103-R112 PolarHBondContact OD1-NE 3.45Å; D103-R112 IonicContact OD1-NH2 2.77Å; D103-R112 PolarHBondContact OD1-NH2 2.82Å; D103-R112 IonicContact OD2-NH2 3.74Å |
| 104 | H | 96.4 | Very high | 95.5 | Very high | 122 Ų | 122 | 89 Ų | 89 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9.7 | 174.7 | -64.7 | 95.8 | 0 | 0 | 0 | 114 | D100 A102 K106 | D100-H104 PolarHBondContact O-N 2.73Å; D100-H104 PolarHBondContact O-ND1 2.87Å; D100-H104 IonicContact OD1-CE1 3.38Å; D100-H104 PolarHBondContact OD1-CE1 3.27Å; D100-H104 IonicContact OD1-ND1 3.67Å; D100-H104 PolarHBondContact OD1-ND1 3.39Å; A102-H104 VanDerWaalsContact C-N 3.26Å; A102-H104 PolarHBondContact O-N 3.17Å; H104-K106 HydrophobicContact CB-CD 4.46Å; H104-K106 HydrophobicContact CB-CG 4.23Å; H104-K106 PolarHBondContact O-N 3.41Å; H104-K106 VanDerWaalsContact O-N 3.17Å |
| 105 | G | 94.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 99.6 Ų | 99.6 | 63% | 0.629 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 17 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M101 A102 D103 L107 | M101-G105 PolarHBondContact O-N 3.17Å; A102-G105 PolarHBondContact O-N 2.77Å; D103-G105 VanDerWaalsContact C-N 3.32Å; G105-L107 VanDerWaalsContact C-N 3.25Å; G105-L107 PolarHBondContact O-N 3.03Å |
| 106 | K | 95.4 | Very high | 94.9 | Very high | 142 Ų | 142 | 100.8 Ų | 100.8 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | trans | -75.5 | -14.1 | 179.6 | -60.8 | 178.4 | -177.8 | 169 | 0 | 112.9 | M101 H104 | M101-K106 HydrophobicContact CB-CB 4.21Å; M101-K106 HydrophobicContact CG-CD 4.4Å; M101-K106 WeakPolarHBondContact O-CB 3.43Å; M101-K106 PolarHBondContact O-N 3.35Å; H104-K106 HydrophobicContact CB-CD 4.46Å; H104-K106 HydrophobicContact CB-CG 4.23Å; H104-K106 PolarHBondContact O-N 3.41Å; H104-K106 VanDerWaalsContact O-N 3.17Å | ||
| 107 | L | 93.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 100.7 Ų | 100.7 | 15% | 0.152 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -107.6 | 117 | 179.1 | -62.2 | 175.9 | 0 | 0 | 0 | 110.2 | Y91 F98 M101 A102 G105 G109 V110 | Y91-L107 HydrophobicContact CD1-CD1 4.43Å; Y91-L107 HydrophobicContact CD1-CD2 4.11Å; Y91-L107 HydrophobicContact CE1-CD1 4.33Å; Y91-L107 HydrophobicContact CE1-CD2 4.16Å; F98-L107 HydrophobicContact CD2-CD1 3.6Å; F98-L107 HydrophobicContact CE2-CD1 3.51Å; F98-L107 HydrophobicContact CZ-CD1 4.43Å; M101-L107 HydrophobicContact CB-CD1 3.98Å; M101-L107 HydrophobicContact CB-CD2 4.41Å; M101-L107 HydrophobicContact CB-CG 3.87Å; A102-L107 HydrophobicContact CB-CD1 4.26Å; G105-L107 VanDerWaalsContact C-N 3.25Å; G105-L107 PolarHBondContact O-N 3.03Å; L107-G109 PolarHBondContact O-N 3.4Å; L107-V110 HydrophobicContact CB-CB 4.02Å; L107-V110 HydrophobicContact CB-CG2 3.61Å; L107-V110 HydrophobicContact CD1-CG2 4.25Å; L107-V110 PolarHBondContact O-N 3.43Å |
| 108 | S | 94.6 | Very high | 94.8 | Very high | 125 Ų | 125 | 104.6 Ų | 104.6 | 87% | 0.874 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 133.7 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | V110 | S108-V110 PolarHBondContact O-N 3.23Š|
| 109 | G | 94 | Very high | 94.8 | Very high | 74 Ų | 74 | 107.9 Ų | 107.9 | 76% | 0.763 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.5 | 1.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L107 I111 | L107-G109 PolarHBondContact O-N 3.4Å; G109-I111 PolarHBondContact O-N 3.46Å |
| 110 | V | 95.4 | Very high | 94.7 | Very high | 36 Ų | 36 | 105.3 Ų | 105.3 | 22% | 0.218 | 58% | 0.582 | C | S | . | * | trans | -87.4 | 106.4 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | Y91 F98 A102 L107 S108 | Y91-V110 WeakPolarHBondContact OH-CG2 3.38Å; F98-V110 HydrophobicContact CZ-CG1 4.01Å; A102-V110 HydrophobicContact CB-CB 4.42Å; A102-V110 HydrophobicContact CB-CG1 3.66Å; L107-V110 HydrophobicContact CB-CB 4.02Å; L107-V110 HydrophobicContact CB-CG2 3.61Å; L107-V110 HydrophobicContact CD1-CG2 4.25Å; L107-V110 PolarHBondContact O-N 3.43Å; S108-V110 PolarHBondContact O-N 3.23Å | ||
| 111 | I | 94.8 | Very high | 94.5 | Very high | 152 Ų | 152 | 107.1 Ų | 107.1 | 78% | 0.779 | 59% | 0.593 | S | S | * | * | trans | -114 | 156.5 | 174.8 | 56 | 165.3 | 0 | 0 | 0 | 110.5 | G109 A113 | G109-I111 PolarHBondContact O-N 3.46Å; I111-A113 PolarHBondContact O-N 3.33Å | ||
| 112 | R | 95.3 | Very high | 94.4 | Very high | 194 Ų | 194 | 111.3 Ų | 111.3 | 73% | 0.732 | 62% | 0.618 | S | S | * | * | trans | -67.4 | 131.5 | 170.7 | -69.5 | -174.8 | 177.1 | -174.5 | 0.8 | 108.9 | D103 K114 | D103-R112 IonicContact OD1-CZ 3.46Å; D103-R112 IonicContact OD1-NE 3.27Å; D103-R112 PolarHBondContact OD1-NE 3.45Å; D103-R112 IonicContact OD1-NH2 2.77Å; D103-R112 PolarHBondContact OD1-NH2 2.82Å; D103-R112 IonicContact OD2-NH2 3.74Å; R112-K114 PolarHBondContact O-N 3.46Å | ||
| 113 | A | 95.1 | Very high | 94.2 | Very high | 67 Ų | 67 | 117.9 Ų | 117.9 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | trans | -66.8 | 127 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I111 W115 | I111-A113 PolarHBondContact O-N 3.33Å; A113-W115 HydrophobicContact CB-CD2 4.43Å; A113-W115 HydrophobicContact CB-CH2 3.5Å; A113-W115 HydrophobicContact CB-CZ2 3.28Å; A113-W115 HydrophobicContact CB-CZ3 4.15Å | ||
| 114 | K | 95.2 | Very high | 94.1 | Very high | 175 Ų | 175 | 121.1 Ų | 121.1 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | trans | -123.8 | 120.7 | 173 | -177.3 | 179.4 | 177.8 | -178 | 0 | 106.3 | R112 | R112-K114 PolarHBondContact O-N 3.46Š| ||
| 115 | W | 93.2 | Very high | 93.9 | Very high | 225 Ų | 225 | 121 Ų | 121 | 85% | 0.852 | 68% | 0.678 | S | S | * | * | trans | -109.9 | 110.7 | 172.3 | -20.4 | 98.7 | 0 | 0 | 0 | 104.2 | A113 | A113-W115 HydrophobicContact CB-CD2 4.43Å; A113-W115 HydrophobicContact CB-CH2 3.5Å; A113-W115 HydrophobicContact CB-CZ2 3.28Å; A113-W115 HydrophobicContact CB-CZ3 4.15Å | ||
| 116 | S | 85.7 | Confident | 93.9 | Very high | 172 Ų | 172 | 126.5 Ų | 126.5 | 100% | 1.203 | 68% | 0.682 | S | S | * | * | trans | -82 | 0 | 169.2 | -62.1 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 116 of 116 residues in 147.9 ms
(Link to these results)