| 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 | 64 | Low | 90.4 | Very high | 156 Ų | 156 | 67.5 Ų | 67.5 | 77% | 0.768 | 33% | 0.327 | S | S | * | . | 0 | 155.9 | 0 | -64.8 | -128.4 | -85.4 | 0 | 0 | 110.4 | A3 S4 R5 | M1-A3 PolarHBondContact O-N 2.63Å; M1-S4 PolarHBondContact O-N 2.77Å; M1-R5 PolarHBondContact O-N 3.34Å | |||
| 2 | A | 83.2 | Confident | 90.7 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S4 R5 R6 | A2-S4 PolarHBondContact O-N 3.44Å; A2-R5 PolarHBondContact O-N 3.35Å; A2-R6 PolarHBondContact O-N 3.05Å |
| 3 | A | 88.8 | Confident | 91 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.3 | -52.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 R5 R6 L7 L33 Y61 | M1-A3 PolarHBondContact O-N 2.63Å; A3-R5 PolarHBondContact O-N 3.11Å; A3-R6 PolarHBondContact O-N 2.78Å; A3-R6 VanDerWaalsContact O-N 3.16Å; A3-L7 WeakPolarHBondContact O-CG 3.28Å; A3-L7 PolarHBondContact O-N 2.89Å; A3-L33 HydrophobicContact CB-CD2 4.44Å; A3-Y61 WeakPolarHBondContact CA-O 3.41Å; A3-Y61 WeakPolarHBondContact CB-O 3.31Å |
| 4 | S | 91.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 65.7 Ų | 65.7 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.8 | -45.9 | -178.3 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | M1 A2 R6 L7 H8 | M1-S4 PolarHBondContact O-N 2.77Å; A2-S4 PolarHBondContact O-N 3.44Å; S4-R6 VanDerWaalsContact C-N 3.3Å; S4-R6 PolarHBondContact O-N 3.24Å; S4-L7 PolarHBondContact O-N 3.25Å; S4-H8 PolarHBondContact O-N 2.81Å; S4-H8 PolarHBondContact O-ND1 3.22Å |
| 5 | R | 92.9 | Very high | 91.3 | Very high | 170 Ų | 170 | 70 Ų | 70 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.1 | -38.1 | -179.1 | -73.8 | -168.8 | -64.5 | -100.6 | 1.4 | 112.5 | M1 A2 A3 K9 | M1-R5 PolarHBondContact O-N 3.34Å; A2-R5 PolarHBondContact O-N 3.35Å; A3-R5 PolarHBondContact O-N 3.11Å; R5-K9 PolarHBondContact O-N 3.04Å |
| 6 | R | 95.3 | Very high | 91.3 | Very high | 61 Ų | 61 | 76.7 Ų | 76.7 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.1 | -46.9 | 176.4 | 176.1 | 173.1 | 170.6 | 161.4 | -8.9 | 111.2 | A2 A3 S4 H8 K9 E10 Y61 P62 P97 T99 | A2-R6 PolarHBondContact O-N 3.05Å; A3-R6 PolarHBondContact O-N 2.78Å; A3-R6 VanDerWaalsContact O-N 3.16Å; S4-R6 VanDerWaalsContact C-N 3.3Å; S4-R6 PolarHBondContact O-N 3.24Å; R6-H8 VanDerWaalsContact C-N 3.35Å; R6-H8 PolarHBondContact O-N 2.88Å; R6-K9 WeakPolarHBondContact O-CB 3.36Å; R6-K9 PolarHBondContact O-N 3.39Å; R6-K9 VanDerWaalsContact O-N 3.13Å; R6-E10 HydrophobicContact CG-CG 4.44Å; R6-E10 WeakPolarHBondContact CG-OE1 3.19Å; R6-E10 IonicContact CZ-OE1 3.38Å; R6-E10 IonicContact NE-OE1 2.73Å; R6-E10 PolarHBondContact NE-OE1 3.42Å; R6-E10 IonicContact NH2-OE1 2.69Å; R6-E10 PolarHBondContact NH2-OE1 3.49Å; R6-E10 PolarHBondContact O-N 2.85Å; R6-Y61 HydrophobicContact CG-CE1 4.17Å; R6-Y61 PolarHBondContact NH2-OH 2.81Å; R6-P62 VanDerWaalsContact NH1-CG 3.26Å; R6-P97 PolarHBondContact NH1-O 2.97Å; R6-P97 PolarHBondContact NH2-O 2.84Å; R6-T99 PolarHBondContact NH2-O 3.43Å |
| 7 | L | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -38.6 | -179.5 | -70.4 | 170.5 | 0 | 0 | 0 | 112.9 | A3 S4 K9 E10 L11 I32 L33 W35 F57 Y61 | A3-L7 WeakPolarHBondContact O-CG 3.28Å; A3-L7 PolarHBondContact O-N 2.89Å; S4-L7 PolarHBondContact O-N 3.25Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.86Å; L7-E10 PolarHBondContact O-N 2.98Å; L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 2.86Å; L7-I32 HydrophobicContact CB-CG1 3.73Å; L7-I32 HydrophobicContact CD1-CG2 4.5Å; L7-L33 HydrophobicContact CD1-CD2 3.57Å; L7-W35 HydrophobicContact CB-CZ2 4.04Å; L7-W35 HydrophobicContact CD2-CZ2 3.95Å; L7-W35 WeakPolarHBondContact O-CZ2 2.97Å; L7-F57 HydrophobicContact CD1-CB 3.99Å; L7-F57 HydrophobicContact CD1-CD1 4.37Å; L7-F57 HydrophobicContact CD1-CD2 4.19Å; L7-F57 HydrophobicContact CD1-CG 3.92Å; L7-F57 HydrophobicContact CD2-CD1 3.5Å; L7-F57 HydrophobicContact CD2-CD2 4.03Å; L7-F57 HydrophobicContact CD2-CE1 3.46Å; L7-F57 VanDerWaalsContact CD2-CE1 3.46Å; L7-F57 HydrophobicContact CD2-CE2 4.02Å; L7-F57 HydrophobicContact CD2-CG 3.79Å; L7-F57 HydrophobicContact CD2-CZ 3.73Å; L7-Y61 HydrophobicContact CD1-CD1 4.3Å; L7-Y61 HydrophobicContact CD2-CD1 3.9Å; L7-Y61 HydrophobicContact CD2-CE1 3.62Å; L7-Y61 HydrophobicContact CG-CD1 3.98Å; L7-Y61 HydrophobicContact CG-CE1 4.04Å |
| 8 | H | 95 | Very high | 90.5 | Very high | 91 Ų | 91 | 74.5 Ų | 74.5 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 173.1 | -75.3 | 88.1 | 0 | 0 | 0 | 111.8 | S4 R6 L11 D12 | S4-H8 PolarHBondContact O-N 2.81Å; S4-H8 PolarHBondContact O-ND1 3.22Å; R6-H8 VanDerWaalsContact C-N 3.35Å; R6-H8 PolarHBondContact O-N 2.88Å; H8-L11 PolarHBondContact O-N 3.38Å; H8-D12 PolarHBondContact O-N 2.74Å |
| 9 | K | 95.5 | Very high | 90 | Very high | 145 Ų | 145 | 72.1 Ų | 72.1 | 63% | 0.63 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 177.1 | -70.3 | -176.6 | 176.7 | -170.2 | 0 | 112.1 | R5 R6 L7 L11 D12 E13 | R5-K9 PolarHBondContact O-N 3.04Å; R6-K9 WeakPolarHBondContact O-CB 3.36Å; R6-K9 PolarHBondContact O-N 3.39Å; R6-K9 VanDerWaalsContact O-N 3.13Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.86Å; K9-L11 VanDerWaalsContact C-N 3.35Å; K9-D12 PolarHBondContact O-N 2.84Å; K9-E13 WeakPolarHBondContact O-CB 3.38Å; K9-E13 WeakPolarHBondContact O-CG 3.47Å; K9-E13 PolarHBondContact O-N 3.25Å |
| 10 | E | 95.9 | Very high | 89.8 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.2 | -71.5 | -172.8 | -146 | 0 | 0 | 112.1 | R6 L7 E13 I14 W35 Y61 T101 | R6-E10 HydrophobicContact CG-CG 4.44Å; R6-E10 WeakPolarHBondContact CG-OE1 3.19Å; R6-E10 IonicContact CZ-OE1 3.38Å; R6-E10 IonicContact NE-OE1 2.73Å; R6-E10 PolarHBondContact NE-OE1 3.42Å; R6-E10 IonicContact NH2-OE1 2.69Å; R6-E10 PolarHBondContact NH2-OE1 3.49Å; R6-E10 PolarHBondContact O-N 2.85Å; L7-E10 PolarHBondContact O-N 2.98Å; E10-E13 PolarHBondContact O-N 3.11Å; E10-I14 WeakPolarHBondContact O-CB 3.39Å; E10-I14 WeakPolarHBondContact O-CD1 3.28Å; E10-I14 VanDerWaalsContact O-CG1 3.25Å; E10-I14 WeakPolarHBondContact O-CG1 3.28Å; E10-I14 PolarHBondContact O-N 2.72Å; E10-W35 HydrophobicContact CB-CH2 4.26Å; E10-Y61 PolarHBondContact OE1-OH 3.44Å; E10-Y61 VanDerWaalsContact OE1-OH 3.11Å; E10-Y61 PolarHBondContact OE2-OH 2.97Å; E10-T101 WeakPolarHBondContact OE2-CB 3.2Å; E10-T101 PolarHBondContact OE2-N 2.8Å; E10-T101 PolarHBondContact OE2-OG1 3.23Å |
| 11 | L | 95.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 75.1 Ų | 75.1 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.9 | -177.4 | 61 | 0 | 0 | 0 | 111.4 | L7 H8 K9 I14 R15 I25 V27 I32 W35 | L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 2.86Å; H8-L11 PolarHBondContact O-N 3.38Å; K9-L11 VanDerWaalsContact C-N 3.35Å; L11-I14 PolarHBondContact O-N 3.49Å; L11-R15 WeakPolarHBondContact O-CB 3.45Å; L11-R15 WeakPolarHBondContact O-CG 3.48Å; L11-R15 PolarHBondContact O-N 3.36Å; L11-I25 HydrophobicContact CD1-CG2 3.77Å; L11-V27 HydrophobicContact CD1-CG2 3.83Å; L11-V27 HydrophobicContact CD2-CB 4.05Å; L11-V27 HydrophobicContact CD2-CG1 4.38Å; L11-V27 HydrophobicContact CD2-CG2 3.76Å; L11-V27 HydrophobicContact CG-CG2 4.47Å; L11-I32 HydrophobicContact CD2-CD1 3.94Å; L11-W35 HydrophobicContact CB-CH2 3.7Å; L11-W35 HydrophobicContact CB-CZ2 3.74Å; L11-W35 HydrophobicContact CB-CZ3 4.44Å; L11-W35 HydrophobicContact CD1-CD2 4.39Å; L11-W35 HydrophobicContact CD1-CE3 4.2Å; L11-W35 HydrophobicContact CD1-CH2 4.13Å; L11-W35 HydrophobicContact CD1-CZ2 4.3Å; L11-W35 HydrophobicContact CD1-CZ3 4.06Å; L11-W35 HydrophobicContact CG-CH2 4.49Å; L11-W35 HydrophobicContact CG-CZ2 4.46Å |
| 12 | D | 94.6 | Very high | 91.2 | Very high | 78 Ų | 78 | 67.9 Ų | 67.9 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177 | -73.3 | -16.4 | 0 | 0 | 0 | 111.7 | H8 K9 R15 K16 | H8-D12 PolarHBondContact O-N 2.74Å; K9-D12 PolarHBondContact O-N 2.84Å; D12-R15 PolarHBondContact O-N 3.13Å; D12-K16 WeakPolarHBondContact O-CB 3.28Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 2.92Å |
| 13 | E | 94.3 | Very high | 91.7 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 174.8 | -75.9 | 175.5 | -165.6 | 0 | 0 | 111.2 | K9 E10 K16 S17 K100 | K9-E13 WeakPolarHBondContact O-CB 3.38Å; K9-E13 WeakPolarHBondContact O-CG 3.47Å; K9-E13 PolarHBondContact O-N 3.25Å; E10-E13 PolarHBondContact O-N 3.11Å; E13-K16 PolarHBondContact O-N 3.39Å; E13-S17 WeakPolarHBondContact O-CB 3.42Å; E13-S17 PolarHBondContact O-N 3.19Å; E13-K100 IonicContact OE2-NZ 3.45Å; E13-K100 PolarHBondContact OE2-NZ 2.85Å |
| 14 | I | 93.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 178.3 | -74.7 | 165 | 0 | 0 | 0 | 111.8 | E10 L11 K16 S17 M19 I25 W35 T101 D102 I105 | E10-I14 WeakPolarHBondContact O-CB 3.39Å; E10-I14 WeakPolarHBondContact O-CD1 3.28Å; E10-I14 VanDerWaalsContact O-CG1 3.25Å; E10-I14 WeakPolarHBondContact O-CG1 3.28Å; E10-I14 PolarHBondContact O-N 2.72Å; L11-I14 PolarHBondContact O-N 3.49Å; I14-K16 VanDerWaalsContact C-N 3.33Å; I14-S17 PolarHBondContact O-N 3.05Å; I14-S17 PolarHBondContact O-OG 3.5Å; I14-M19 HydrophobicContact CB-CE 4.42Å; I14-M19 HydrophobicContact CG1-CE 4.23Å; I14-M19 HydrophobicContact CG2-CE 3.49Å; I14-M19 VanDerWaalsContact CG2-CE 3.49Å; I14-I25 HydrophobicContact CG2-CD1 3.43Å; I14-I25 VanDerWaalsContact CG2-CD1 3.43Å; I14-W35 HydrophobicContact CD1-CH2 4.3Å; I14-W35 HydrophobicContact CD1-CZ3 3.76Å; I14-T101 HydrophobicContact CD1-CG2 4.19Å; I14-D102 HydrophobicContact CD1-CB 4.27Å; I14-D102 HydrophobicContact CG1-CB 3.98Å; I14-I105 HydrophobicContact CD1-CD1 4.22Å |
| 15 | R | 92.1 | Very high | 92.1 | Very high | 130 Ų | 130 | 72.4 Ų | 72.4 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 176.8 | -76.4 | 174 | 170.3 | 170.8 | -3.7 | 111.4 | L11 D12 | L11-R15 WeakPolarHBondContact O-CB 3.45Å; L11-R15 WeakPolarHBondContact O-CG 3.48Å; L11-R15 PolarHBondContact O-N 3.36Å; D12-R15 PolarHBondContact O-N 3.13Å |
| 16 | K | 91.6 | Very high | 92.2 | Very high | 177 Ų | 177 | 69.5 Ų | 69.5 | 77% | 0.77 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.9 | -33.2 | 178.7 | -73.9 | 172.8 | -176.5 | 174.7 | 0 | 113.4 | D12 E13 I14 G18 | D12-K16 WeakPolarHBondContact O-CB 3.28Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 2.92Å; E13-K16 PolarHBondContact O-N 3.39Å; I14-K16 VanDerWaalsContact C-N 3.33Å; K16-G18 PolarHBondContact O-N 3.32Å |
| 17 | S | 88.2 | Confident | 92.2 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.4 | -20.4 | 179 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | E13 I14 M19 | E13-S17 WeakPolarHBondContact O-CB 3.42Å; E13-S17 PolarHBondContact O-N 3.19Å; I14-S17 PolarHBondContact O-N 3.05Å; I14-S17 PolarHBondContact O-OG 3.5Å; S17-M19 PolarHBondContact O-N 3.44Å; S17-M19 WeakPolarHBondContact OG-CG 3.49Å |
| 18 | G | 79.6 | Confident | 91.9 | Very high | 39 Ų | 39 | 72.2 Ų | 72.2 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K16 K20 | K16-G18 PolarHBondContact O-N 3.32Å; G18-K20 PolarHBondContact O-N 2.94Å |
| 19 | M | 82.3 | Confident | 91.2 | Very high | 29 Ų | 29 | 77.2 Ų | 77.2 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | trans | -49.5 | 113 | 177.6 | -69.8 | -158.6 | -66 | 0 | 0 | 110.7 | I14 S17 N21 F22 I105 | I14-M19 HydrophobicContact CB-CE 4.42Å; I14-M19 HydrophobicContact CG1-CE 4.23Å; I14-M19 HydrophobicContact CG2-CE 3.49Å; I14-M19 VanDerWaalsContact CG2-CE 3.49Å; S17-M19 PolarHBondContact O-N 3.44Å; S17-M19 WeakPolarHBondContact OG-CG 3.49Å; M19-N21 PolarHBondContact O-N 3.43Å; M19-F22 HydrophobicContact CB-CB 4.36Å; M19-F22 HydrophobicContact CE-CB 3.86Å; M19-F22 HydrophobicContact CE-CD1 3.71Å; M19-F22 HydrophobicContact CE-CG 4.19Å; M19-F22 VanDerWaalsContact O-O 3.06Å; M19-I105 HydrophobicContact CE-CB 4.45Å; M19-I105 HydrophobicContact CE-CD1 4.03Å; M19-I105 HydrophobicContact CE-CG2 4.04Å | ||
| 20 | K | 84.8 | Confident | 90.9 | Very high | 166 Ų | 166 | 75.3 Ų | 75.3 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -32.4 | -178.6 | -64.7 | -173.5 | 179.6 | -174.3 | 0 | 112 | G18 R23 | G18-K20 PolarHBondContact O-N 2.94Å; K20-R23 WeakPolarHBondContact O-CD 3.45Å; K20-R23 VanDerWaalsContact O-CG 3.28Å; K20-R23 WeakPolarHBondContact O-CG 3.27Å |
| 21 | N | 90.1 | Very high | 90.7 | Very high | 41 Ų | 41 | 77.7 Ų | 77.7 | 22% | 0.219 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -0.4 | -169.2 | -56.1 | 22.8 | 0 | 0 | 0 | 112 | M19 I39 V40 D42 I109 | M19-N21 PolarHBondContact O-N 3.43Å; N21-I39 WeakPolarHBondContact O-CA 3.38Å; N21-V40 PolarHBondContact O-N 3.18Å; N21-D42 PolarHBondContact ND2-OD2 2.84Å; N21-D42 PolarHBondContact OD1-OD2 2.8Å; N21-I109 HydrophobicContact CB-CD1 3.84Å; N21-I109 HydrophobicContact CB-CG2 4.26Å |
| 22 | F | 94 | Very high | 90.7 | Very high | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 103.8 | 174 | -172.6 | -119.3 | 0 | 0 | 0 | 110.3 | M19 I25 L38 I39 I53 I55 I105 I109 | M19-F22 HydrophobicContact CB-CB 4.36Å; M19-F22 HydrophobicContact CE-CB 3.86Å; M19-F22 HydrophobicContact CE-CD1 3.71Å; M19-F22 HydrophobicContact CE-CG 4.19Å; M19-F22 VanDerWaalsContact O-O 3.06Å; F22-I25 HydrophobicContact CD1-CD1 3.54Å; F22-I25 HydrophobicContact CD1-CG1 3.75Å; F22-I25 HydrophobicContact CE1-CD1 3.58Å; F22-I25 HydrophobicContact CE1-CG1 3.56Å; F22-I25 HydrophobicContact CE1-CG2 4.34Å; F22-I25 HydrophobicContact CZ-CG1 4.31Å; F22-L38 CarbonylContact C-O 3.54Å; F22-L38 WeakPolarHBondContact CA-O 3.49Å; F22-I39 HydrophobicContact CD2-CG1 4.19Å; F22-I53 HydrophobicContact CE2-CD1 3.74Å; F22-I53 HydrophobicContact CE2-CG1 3.82Å; F22-I53 HydrophobicContact CZ-CD1 4.34Å; F22-I55 HydrophobicContact CZ-CD1 4.49Å; F22-I105 HydrophobicContact CB-CG2 3.91Å; F22-I105 HydrophobicContact CD1-CD1 3.8Å; F22-I105 HydrophobicContact CD1-CG2 4.22Å; F22-I105 HydrophobicContact CD2-CG2 4.16Å; F22-I105 HydrophobicContact CE1-CD1 3.61Å; F22-I105 HydrophobicContact CG-CD1 4.46Å; F22-I105 HydrophobicContact CG-CG2 3.84Å; F22-I105 HydrophobicContact CZ-CD1 4.16Å; F22-I109 HydrophobicContact CB-CD1 4.44Å |
| 23 | R | 93.6 | Very high | 90.8 | Very high | 86 Ų | 86 | 76 Ų | 76 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 173.6 | -168.9 | -56.9 | -68 | -82.8 | 174.3 | -7.5 | 111.2 | K20 I25 L38 V40 P152 D154 | K20-R23 WeakPolarHBondContact O-CD 3.45Å; K20-R23 VanDerWaalsContact O-CG 3.28Å; K20-R23 WeakPolarHBondContact O-CG 3.27Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 2.78Å; R23-L38 PolarHBondContact N-O 3.34Å; R23-L38 WeakPolarHBondContact O-CB 3.45Å; R23-L38 PolarHBondContact O-N 3.27Å; R23-V40 HydrophobicContact CB-CG2 4.28Å; R23-V40 HydrophobicContact CG-CG2 3.94Å; R23-P152 HydrophobicContact CB-CG 3.94Å; R23-P152 HydrophobicContact CG-CG 4.3Å; R23-D154 IonicContact CZ-OD1 2.69Å; R23-D154 IonicContact NE-OD1 2.7Å; R23-D154 IonicContact NH2-OD1 3.43Å; R23-D154 PolarHBondContact NH2-OD1 2.73Å |
| 24 | N | 93 | Very high | 91 | Very high | 84 Ų | 84 | 73.2 Ų | 73.2 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 45 | 174.1 | -60.2 | 0.8 | 0 | 0 | 0 | 113.2 | Q26 L38 | N24-Q26 PolarHBondContact O-N 2.83Å; N24-L38 HydrophobicContact CB-CB 4.24Å |
| 25 | I | 94.6 | Very high | 91.1 | Very high | 30 Ų | 30 | 73 Ų | 73 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 112.1 | -177.3 | -50.7 | 176.9 | 0 | 0 | 0 | 109.6 | L11 I14 F22 R23 V27 Q36 | L11-I25 HydrophobicContact CD1-CG2 3.77Å; I14-I25 HydrophobicContact CG2-CD1 3.43Å; I14-I25 VanDerWaalsContact CG2-CD1 3.43Å; F22-I25 HydrophobicContact CD1-CD1 3.54Å; F22-I25 HydrophobicContact CD1-CG1 3.75Å; F22-I25 HydrophobicContact CE1-CD1 3.58Å; F22-I25 HydrophobicContact CE1-CG1 3.56Å; F22-I25 HydrophobicContact CE1-CG2 4.34Å; F22-I25 HydrophobicContact CZ-CG1 4.31Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 2.78Å; I25-V27 HydrophobicContact CG2-CG2 4.15Å; I25-Q36 CarbonylContact C-O 3.34Å; I25-Q36 WeakPolarHBondContact CA-O 3.42Å |
| 26 | Q | 94.9 | Very high | 91.4 | Very high | 109 Ų | 109 | 69.5 Ų | 69.5 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.8 | 178.3 | -68.5 | 175.1 | -9 | 0 | 0 | 109 | N24 Q36 | N24-Q26 PolarHBondContact O-N 2.83Å; Q26-Q36 HydrophobicContact CB-CB 4.46Å; Q26-Q36 PolarHBondContact N-O 3.24Å; Q26-Q36 PolarHBondContact O-N 3.41Å |
| 27 | V | 95.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 61 Ų | 61 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130 | 176 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | L11 I25 I32 W35 | L11-V27 HydrophobicContact CD1-CG2 3.83Å; L11-V27 HydrophobicContact CD2-CB 4.05Å; L11-V27 HydrophobicContact CD2-CG1 4.38Å; L11-V27 HydrophobicContact CD2-CG2 3.76Å; L11-V27 HydrophobicContact CG-CG2 4.47Å; I25-V27 HydrophobicContact CG2-CG2 4.15Å; V27-I32 HydrophobicContact CG1-CD1 3.8Å; V27-W35 HydrophobicContact CG1-CG 4.37Å; V27-W35 HydrophobicContact CG2-CB 4Å; V27-W35 HydrophobicContact CG2-CD2 4.02Å; V27-W35 HydrophobicContact CG2-CG 3.58Å |
| 28 | D | 90.3 | Very high | 92 | Very high | 90 Ų | 90 | 57.5 Ų | 57.5 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 128.7 | 176.6 | -174.2 | -18.8 | 0 | 0 | 0 | 109.6 | S30 N31 I32 | D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 WeakPolarHBondContact OD1-CB 3.19Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 2.99Å; D28-S30 PolarHBondContact OD2-OG 3.43Å; D28-S30 VanDerWaalsContact OD2-OG 3.09Å; D28-N31 HydrophobicContact CB-CB 4.34Å; D28-N31 CarbonylContact O-C 3.56Å; D28-N31 PolarHBondContact O-N 2.94Å; D28-I32 PolarHBondContact O-N 2.69Å |
| 29 | E | 81.9 | Confident | 92.8 | Very high | 196 Ų | 196 | 55.7 Ų | 55.7 | 92% | 0.916 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.3 | 178.3 | -62.9 | -176.5 | 170.3 | 0 | 0 | 112 | ||
| 30 | S | 89.3 | Confident | 93.4 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.5 | 176.6 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | D28 | D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 WeakPolarHBondContact OD1-CB 3.19Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 2.99Å; D28-S30 PolarHBondContact OD2-OG 3.43Å; D28-S30 VanDerWaalsContact OD2-OG 3.09Å |
| 31 | N | 91.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 47 Ų | 47 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 82.3 | -177.4 | -175.9 | 18.5 | 0 | 0 | 0 | 113 | D28 L33 T34 | D28-N31 HydrophobicContact CB-CB 4.34Å; D28-N31 CarbonylContact O-C 3.56Å; D28-N31 PolarHBondContact O-N 2.94Å; N31-L33 PolarHBondContact O-N 2.87Å; N31-L33 VanDerWaalsContact OD1-CB 3.26Å; N31-L33 WeakPolarHBondContact OD1-CB 3.28Å; N31-L33 PolarHBondContact OD1-N 3.29Å; N31-L33 VanDerWaalsContact OD1-N 3.09Å; N31-T34 PolarHBondContact ND2-OG1 3.11Å; N31-T34 PolarHBondContact O-N 3.11Å |
| 32 | I | 95.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | -10.6 | 172.2 | -165.3 | 64.6 | 0 | 0 | 0 | 113.9 | L7 L11 V27 D28 T34 W35 | L7-I32 HydrophobicContact CB-CG1 3.73Å; L7-I32 HydrophobicContact CD1-CG2 4.5Å; L11-I32 HydrophobicContact CD2-CD1 3.94Å; V27-I32 HydrophobicContact CG1-CD1 3.8Å; D28-I32 PolarHBondContact O-N 2.69Å; I32-T34 VanDerWaalsContact C-N 3.32Å; I32-W35 VanDerWaalsContact O-CD1 3.27Å; I32-W35 PolarHBondContact O-NE1 3.39Å |
| 33 | L | 96.7 | Very high | 93.7 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -4.9 | -178.1 | -56.7 | 177.3 | 0 | 0 | 0 | 113.4 | A3 L7 N31 F57 | A3-L33 HydrophobicContact CB-CD2 4.44Å; L7-L33 HydrophobicContact CD1-CD2 3.57Å; N31-L33 PolarHBondContact O-N 2.87Å; N31-L33 VanDerWaalsContact OD1-CB 3.26Å; N31-L33 WeakPolarHBondContact OD1-CB 3.28Å; N31-L33 PolarHBondContact OD1-N 3.29Å; N31-L33 VanDerWaalsContact OD1-N 3.09Å; L33-F57 HydrophobicContact CB-CB 4.33Å; L33-F57 HydrophobicContact CD2-CB 4.14Å; L33-F57 WeakPolarHBondContact O-CD2 3.12Å; L33-F57 PolarHBondContact O-N 3.44Å |
| 34 | T | 97.1 | Very high | 93.7 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.4 | 176.5 | -57 | 0 | 0 | 0 | 0 | 109.7 | N31 I32 E54 I55 | N31-T34 PolarHBondContact ND2-OG1 3.11Å; N31-T34 PolarHBondContact O-N 3.11Å; I32-T34 VanDerWaalsContact C-N 3.32Å; T34-E54 HydrophobicContact CG2-CG 3.92Å; T34-I55 WeakPolarHBondContact CA-O 3.37Å |
| 35 | W | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.9 | 177.3 | -60.4 | 8.8 | 0 | 0 | 0 | 109.3 | L7 E10 L11 I14 V27 I32 E54 I55 F57 T101 | L7-W35 HydrophobicContact CB-CZ2 4.04Å; L7-W35 HydrophobicContact CD2-CZ2 3.95Å; L7-W35 WeakPolarHBondContact O-CZ2 2.97Å; E10-W35 HydrophobicContact CB-CH2 4.26Å; L11-W35 HydrophobicContact CB-CH2 3.7Å; L11-W35 HydrophobicContact CB-CZ2 3.74Å; L11-W35 HydrophobicContact CB-CZ3 4.44Å; L11-W35 HydrophobicContact CD1-CD2 4.39Å; L11-W35 HydrophobicContact CD1-CE3 4.2Å; L11-W35 HydrophobicContact CD1-CH2 4.13Å; L11-W35 HydrophobicContact CD1-CZ2 4.3Å; L11-W35 HydrophobicContact CD1-CZ3 4.06Å; L11-W35 HydrophobicContact CG-CH2 4.49Å; L11-W35 HydrophobicContact CG-CZ2 4.46Å; I14-W35 HydrophobicContact CD1-CH2 4.3Å; I14-W35 HydrophobicContact CD1-CZ3 3.76Å; V27-W35 HydrophobicContact CG1-CG 4.37Å; V27-W35 HydrophobicContact CG2-CB 4Å; V27-W35 HydrophobicContact CG2-CD2 4.02Å; V27-W35 HydrophobicContact CG2-CG 3.58Å; I32-W35 VanDerWaalsContact O-CD1 3.27Å; I32-W35 PolarHBondContact O-NE1 3.39Å; W35-E54 CarbonylContact O-C 3.58Å; W35-E54 VanDerWaalsContact O-CA 3.3Å; W35-E54 WeakPolarHBondContact O-CA 3.34Å; W35-I55 HydrophobicContact CB-CB 4.33Å; W35-I55 PolarHBondContact N-O 3.5Å; W35-I55 PolarHBondContact O-N 2.97Å; W35-F57 HydrophobicContact CB-CE2 4.36Å; W35-F57 AromaticContact CD1-CE2 3.76Å; W35-F57 AromaticContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CZ 4.06Å; W35-F57 AromaticContact CE2-CE2 3.65Å; W35-F57 HydrophobicContact CE3-CE2 4.2Å; W35-F57 HydrophobicContact CE3-CZ 4.22Å; W35-F57 AromaticContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CH2-CZ 4.5Å; W35-F57 HydrophobicContact CZ2-CE2 4.27Å; W35-F57 HydrophobicContact CZ2-CZ 4.34Å; W35-F57 HydrophobicContact CZ3-CZ 4.44Å; W35-F57 AromaticContact NE1-CE2 3.71Å; W35-T101 HydrophobicContact CE3-CG2 4.17Å; W35-T101 HydrophobicContact CH2-CG2 4.34Å; W35-T101 HydrophobicContact CZ3-CG2 3.7Å |
| 36 | Q | 97.2 | Very high | 94 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.3 | 165.8 | -67 | -173.4 | -0.8 | 0 | 0 | 109.3 | I25 Q26 I53 E54 | I25-Q36 CarbonylContact C-O 3.34Å; I25-Q36 WeakPolarHBondContact CA-O 3.42Å; Q26-Q36 HydrophobicContact CB-CB 4.46Å; Q26-Q36 PolarHBondContact N-O 3.24Å; Q26-Q36 PolarHBondContact O-N 3.41Å; Q36-I53 WeakPolarHBondContact CA-O 3.22Å; Q36-E54 HydrophobicContact CG-CB 4.24Å; Q36-E54 HydrophobicContact CG-CG 4.16Å; Q36-E54 PolarHBondContact NE2-OE2 2.78Å |
| 37 | G | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 170.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | R52 I53 | G37-R52 WeakPolarHBondContact O-CA 3.25Å; G37-I53 PolarHBondContact N-O 2.82Å; G37-I53 VanDerWaalsContact N-O 3.1Å; G37-I53 PolarHBondContact O-N 2.91Å |
| 38 | L | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113.5 | -171.8 | -164.7 | 75.5 | 0 | 0 | 0 | 109.3 | F22 R23 N24 V40 A50 R52 E149 P152 | F22-L38 CarbonylContact C-O 3.54Å; F22-L38 WeakPolarHBondContact CA-O 3.49Å; R23-L38 PolarHBondContact N-O 3.34Å; R23-L38 WeakPolarHBondContact O-CB 3.45Å; R23-L38 PolarHBondContact O-N 3.27Å; N24-L38 HydrophobicContact CB-CB 4.24Å; L38-V40 HydrophobicContact CD2-CG2 4.46Å; L38-A50 HydrophobicContact CD1-CB 3.94Å; L38-A50 HydrophobicContact CD2-CB 3.54Å; L38-A50 HydrophobicContact CG-CB 3.61Å; L38-R52 HydrophobicContact CD1-CB 4.08Å; L38-E149 HydrophobicContact CD1-CB 3.97Å; L38-E149 HydrophobicContact CD1-CG 4.31Å; L38-P152 HydrophobicContact CD2-CG 3.8Å |
| 39 | I | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.6 | 169.3 | -65.3 | 178 | 0 | 0 | 0 | 108.2 | N21 F22 P41 A50 F51 I53 F70 L108 I109 | N21-I39 WeakPolarHBondContact O-CA 3.38Å; F22-I39 HydrophobicContact CD2-CG1 4.19Å; I39-P41 HydrophobicContact CG2-CG 4.05Å; I39-P41 WeakPolarHBondContact O-CD 3.15Å; I39-A50 CarbonylContact O-C 3.52Å; I39-A50 VanDerWaalsContact O-CA 3.28Å; I39-A50 WeakPolarHBondContact O-CA 3.27Å; I39-A50 WeakPolarHBondContact O-CB 3.46Å; I39-F51 HydrophobicContact CB-CB 4.49Å; I39-F51 PolarHBondContact N-O 2.91Å; I39-F51 PolarHBondContact O-N 3.42Å; I39-I53 HydrophobicContact CD1-CD1 4.06Å; I39-I53 HydrophobicContact CD1-CG1 4.4Å; I39-I53 HydrophobicContact CD1-CG2 3.66Å; I39-I53 HydrophobicContact CG1-CD1 4.21Å; I39-I53 HydrophobicContact CG1-CG1 4.31Å; I39-I53 HydrophobicContact CG1-CG2 4.16Å; I39-F70 HydrophobicContact CD1-CE1 4.23Å; I39-F70 HydrophobicContact CD1-CZ 4.03Å; I39-L108 HydrophobicContact CD1-CD2 3.6Å; I39-L108 HydrophobicContact CD1-CG 3.8Å; I39-I109 HydrophobicContact CG1-CG1 4.47Å; I39-I109 HydrophobicContact CG2-CG1 4.05Å |
| 40 | V | 95.5 | Very high | 95 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | trans | -118.9 | 92.3 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | N21 R23 L38 A50 R151 P152 | N21-V40 PolarHBondContact O-N 3.18Å; R23-V40 HydrophobicContact CB-CG2 4.28Å; R23-V40 HydrophobicContact CG-CG2 3.94Å; L38-V40 HydrophobicContact CD2-CG2 4.46Å; V40-A50 HydrophobicContact CG2-CB 4.21Å; V40-R151 VanDerWaalsContact CG1-NH2 3.33Å; V40-P152 HydrophobicContact CG2-CG 4.18Å | ||
| 41 | P | 94.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -68.4 | 147.5 | 179.5 | -20.3 | 34.8 | 0 | 0 | 0 | 111.2 | I39 F51 V112 R151 | I39-P41 HydrophobicContact CG2-CG 4.05Å; I39-P41 WeakPolarHBondContact O-CD 3.15Å; P41-F51 HydrophobicContact CG-CD2 3.84Å; P41-F51 HydrophobicContact CG-CE2 3.87Å; P41-V112 HydrophobicContact CB-CG1 4.33Å; P41-V112 HydrophobicContact CG-CG1 3.84Å; P41-R151 PolarHBondContact O-NH1 3.16Å; P41-R151 PolarHBondContact O-NH2 3.2Å | ||
| 42 | D | 89.9 | Confident | 95.7 | Very high | 83 Ų | 83 | 26.5 Ų | 26.5 | 44% | 0.444 | 14% | 0.137 | S | C | . | . | trans | -97.4 | -20.7 | 177.4 | -62.6 | -43.8 | 0 | 0 | 0 | 112.1 | N21 | N21-D42 PolarHBondContact ND2-OD2 2.84Å; N21-D42 PolarHBondContact OD1-OD2 2.8Å | ||
| 43 | N | 90.7 | Very high | 95.8 | Very high | 70 Ų | 70 | 25.9 Ų | 25.9 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -100.7 | 138.9 | -171.8 | -67.6 | -8.8 | 0 | 0 | 0 | 112.1 | Y46 D47 N113 | N43-Y46 PolarHBondContact O-N 2.86Å; N43-Y46 VanDerWaalsContact O-N 3.11Å; N43-D47 PolarHBondContact O-N 2.8Å; N43-D47 VanDerWaalsContact O-N 3.13Å; N43-N113 HydrophobicContact CB-CB 4.46Å |
| 44 | P | 93.9 | Very high | 95.9 | Very high | 67 Ų | 67 | 25.5 Ų | 25.5 | 44% | 0.435 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 146 | 163 | -22.2 | 32.9 | 0 | 0 | 0 | 110.6 | D47 F137 | P44-D47 WeakPolarHBondContact CA-OD1 3.45Å; P44-F137 HydrophobicContact CB-CD1 4.46Å; P44-F137 HydrophobicContact CB-CE1 4.29Å; P44-F137 WeakPolarHBondContact O-CE1 3.32Å |
| 45 | P | 96.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.8 | 6.2 | 9.6 | 35.3 | -36 | 0 | 0 | 0 | 115 | F136 F137 A140 E141 | P45-F136 HydrophobicContact CG-CE1 4.19Å; P45-F137 HydrophobicContact CB-CB 4.44Å; P45-F137 HydrophobicContact CB-CD1 4.15Å; P45-F137 HydrophobicContact CB-CG 4.29Å; P45-F137 WeakPolarHBondContact CB-O 3.23Å; P45-F137 HydrophobicContact CG-CD1 4.43Å; P45-F137 HydrophobicContact CG-CG 4.43Å; P45-A140 HydrophobicContact CB-CB 3.63Å; P45-A140 HydrophobicContact CG-CB 3.38Å; P45-E141 HydrophobicContact CB-CB 4.34Å |
| 46 | Y | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -5.7 | -170.1 | -51.7 | -63.1 | 0 | 0 | 0 | 114.1 | N43 K48 G49 F51 I74 Y75 H76 V112 F136 A140 | N43-Y46 PolarHBondContact O-N 2.86Å; N43-Y46 VanDerWaalsContact O-N 3.11Å; Y46-K48 PolarHBondContact O-N 3.11Å; Y46-K48 VanDerWaalsContact O-N 3.11Å; Y46-G49 PolarHBondContact O-N 3.1Å; Y46-F51 HydrophobicContact CD1-CE2 4.45Å; Y46-F51 HydrophobicContact CD1-CZ 4.07Å; Y46-F51 HydrophobicContact CG-CE2 4.48Å; Y46-I74 HydrophobicContact CD1-CD1 4.18Å; Y46-I74 HydrophobicContact CD1-CG1 4.21Å; Y46-I74 HydrophobicContact CE1-CD1 4.19Å; Y46-I74 HydrophobicContact CE1-CG1 4.01Å; Y46-Y75 WeakPolarHBondContact CE1-O 3.14Å; Y46-Y75 PolarHBondContact OH-O 3.49Å; Y46-H76 AromaticContact CE2-CD2 3.65Å; Y46-H76 AromaticContact CZ-CD2 3.49Å; Y46-H76 VanDerWaalsContact CZ-CD2 3.49Å; Y46-H76 PolarHBondContact OH-CD2 3.38Å; Y46-V112 HydrophobicContact CD2-CG1 4.13Å; Y46-V112 VanDerWaalsContact CD2-O 3.22Å; Y46-V112 WeakPolarHBondContact CD2-O 3.45Å; Y46-V112 WeakPolarHBondContact CE2-O 3.33Å; Y46-V112 HydrophobicContact CG-CG1 4.48Å; Y46-F136 WeakPolarHBondContact OH-CZ 3.35Å; Y46-A140 HydrophobicContact CE1-CB 4.12Å |
| 47 | D | 95.2 | Very high | 96 | Very high | 28 Ų | 28 | 24.7 Ų | 24.7 | 15% | 0.15 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.6 | -178.2 | 70.9 | -38.4 | 0 | 0 | 0 | 114.8 | N43 P44 R151 | N43-D47 PolarHBondContact O-N 2.8Å; N43-D47 VanDerWaalsContact O-N 3.13Å; P44-D47 WeakPolarHBondContact CA-OD1 3.45Å; D47-R151 VanDerWaalsContact O-CD 3.28Å; D47-R151 WeakPolarHBondContact O-CD 3.32Å; D47-R151 PolarHBondContact O-NE 3.31Å; D47-R151 PolarHBondContact O-NH1 3.47Å |
| 48 | K | 93.9 | Very high | 96 | Very high | 109 Ų | 109 | 26.1 Ų | 26.1 | 47% | 0.474 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -8.5 | 178.6 | -54.8 | -48 | -179.6 | -149.4 | 0 | 114.4 | Y46 E141 T144 K145 | Y46-K48 PolarHBondContact O-N 3.11Å; Y46-K48 VanDerWaalsContact O-N 3.11Å; K48-E141 HydrophobicContact CG-CG 4.14Å; K48-T144 HydrophobicContact CB-CG2 4.46Å; K48-K145 HydrophobicContact CB-CG 4.26Å |
| 49 | G | 95.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -138.4 | -173.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y46 R151 | Y46-G49 PolarHBondContact O-N 3.1Å; G49-R151 WeakPolarHBondContact O-CG 3.45Å; G49-R151 PolarHBondContact O-NH1 3.15Å |
| 50 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -138 | 156.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L38 I39 V40 E149 R151 | L38-A50 HydrophobicContact CD1-CB 3.94Å; L38-A50 HydrophobicContact CD2-CB 3.54Å; L38-A50 HydrophobicContact CG-CB 3.61Å; I39-A50 CarbonylContact O-C 3.52Å; I39-A50 VanDerWaalsContact O-CA 3.28Å; I39-A50 WeakPolarHBondContact O-CA 3.27Å; I39-A50 WeakPolarHBondContact O-CB 3.46Å; V40-A50 HydrophobicContact CG2-CB 4.21Å; A50-E149 PolarHBondContact N-O 3.31Å; A50-E149 PolarHBondContact O-N 2.77Å; A50-R151 HydrophobicContact CB-CG 4.3Å |
| 51 | F | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 115.8 | -169.7 | -58.6 | -86.6 | 0 | 0 | 0 | 110.9 | I39 P41 Y46 I53 F70 T72 I74 T144 | I39-F51 HydrophobicContact CB-CB 4.49Å; I39-F51 PolarHBondContact N-O 2.91Å; I39-F51 PolarHBondContact O-N 3.42Å; P41-F51 HydrophobicContact CG-CD2 3.84Å; P41-F51 HydrophobicContact CG-CE2 3.87Å; Y46-F51 HydrophobicContact CD1-CE2 4.45Å; Y46-F51 HydrophobicContact CD1-CZ 4.07Å; Y46-F51 HydrophobicContact CG-CE2 4.48Å; F51-I53 PolarHBondContact O-N 2.95Å; F51-F70 HydrophobicContact CB-CD1 4Å; F51-F70 HydrophobicContact CB-CE1 3.91Å; F51-T72 HydrophobicContact CD1-CG2 3.98Å; F51-I74 HydrophobicContact CD1-CB 3.79Å; F51-I74 HydrophobicContact CD1-CD1 3.82Å; F51-I74 HydrophobicContact CD1-CG1 3.88Å; F51-I74 HydrophobicContact CD2-CD1 4.24Å; F51-I74 HydrophobicContact CE1-CB 3.71Å; F51-I74 HydrophobicContact CE1-CD1 3.72Å; F51-I74 HydrophobicContact CE1-CG1 3.46Å; F51-I74 VanDerWaalsContact CE1-CG1 3.46Å; F51-I74 HydrophobicContact CE2-CD1 4.18Å; F51-I74 HydrophobicContact CG-CD1 4.07Å; F51-I74 HydrophobicContact CZ-CD1 3.9Å; F51-I74 HydrophobicContact CZ-CG1 3.91Å; F51-T144 HydrophobicContact CE2-CG2 4.37Å; F51-T144 HydrophobicContact CZ-CG2 3.78Å |
| 52 | R | 98.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128.4 | 176.3 | -173.7 | 172.8 | -58.9 | -84.2 | -11.5 | 109.6 | G37 L38 K71 T72 E149 | G37-R52 WeakPolarHBondContact O-CA 3.25Å; L38-R52 HydrophobicContact CD1-CB 4.08Å; R52-K71 HydrophobicContact CB-CB 4.27Å; R52-K71 HydrophobicContact CG-CB 4.17Å; R52-K71 PolarHBondContact O-N 2.96Å; R52-T72 WeakPolarHBondContact CB-OG1 3.22Å; R52-T72 PolarHBondContact N-OG1 2.74Å; R52-T72 PolarHBondContact O-N 2.99Å; R52-E149 VanDerWaalsContact CB-OE1 3.28Å; R52-E149 WeakPolarHBondContact CB-OE1 3.39Å; R52-E149 IonicContact CZ-OE1 3.59Å; R52-E149 IonicContact CZ-OE2 3.86Å; R52-E149 IonicContact NE-OE1 3.81Å; R52-E149 PolarHBondContact NE-OE1 3.09Å; R52-E149 IonicContact NE-OE2 3.73Å; R52-E149 IonicContact NH2-OE1 2.77Å; R52-E149 IonicContact NH2-OE2 2.97Å; R52-E149 PolarHBondContact NH2-OE2 2.87Å |
| 53 | I | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 155.7 | 172.2 | 64.2 | 160.5 | 0 | 0 | 0 | 109.8 | F22 Q36 G37 I39 F51 I55 I68 T69 F70 L108 | F22-I53 HydrophobicContact CE2-CD1 3.74Å; F22-I53 HydrophobicContact CE2-CG1 3.82Å; F22-I53 HydrophobicContact CZ-CD1 4.34Å; Q36-I53 WeakPolarHBondContact CA-O 3.22Å; G37-I53 PolarHBondContact N-O 2.82Å; G37-I53 VanDerWaalsContact N-O 3.1Å; G37-I53 PolarHBondContact O-N 2.91Å; I39-I53 HydrophobicContact CD1-CD1 4.06Å; I39-I53 HydrophobicContact CD1-CG1 4.4Å; I39-I53 HydrophobicContact CD1-CG2 3.66Å; I39-I53 HydrophobicContact CG1-CD1 4.21Å; I39-I53 HydrophobicContact CG1-CG1 4.31Å; I39-I53 HydrophobicContact CG1-CG2 4.16Å; F51-I53 PolarHBondContact O-N 2.95Å; I53-I55 HydrophobicContact CD1-CD1 4.08Å; I53-I55 HydrophobicContact CD1-CG1 3.99Å; I53-I68 HydrophobicContact CB-CG2 4.21Å; I53-I68 HydrophobicContact CD1-CG2 4.13Å; I53-T69 CarbonylContact C-O 3.59Å; I53-T69 WeakPolarHBondContact CA-O 3.35Å; I53-F70 HydrophobicContact CG2-CD1 3.76Å; I53-F70 HydrophobicContact CG2-CD2 4.14Å; I53-F70 HydrophobicContact CG2-CE1 3.71Å; I53-F70 HydrophobicContact CG2-CE2 4.08Å; I53-F70 HydrophobicContact CG2-CG 3.96Å; I53-F70 HydrophobicContact CG2-CZ 3.87Å; I53-L108 HydrophobicContact CD1-CD2 3.89Å; I53-L108 HydrophobicContact CG2-CD2 4.4Å |
| 54 | E | 97.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.3 | 167.8 | -176.7 | 173.8 | 78.6 | 0 | 0 | 108.8 | T34 W35 Q36 I56 I68 T69 K71 | T34-E54 HydrophobicContact CG2-CG 3.92Å; W35-E54 CarbonylContact O-C 3.58Å; W35-E54 VanDerWaalsContact O-CA 3.3Å; W35-E54 WeakPolarHBondContact O-CA 3.34Å; Q36-E54 HydrophobicContact CG-CB 4.24Å; Q36-E54 HydrophobicContact CG-CG 4.16Å; Q36-E54 PolarHBondContact NE2-OE2 2.78Å; E54-I56 HydrophobicContact CG-CG1 4.01Å; E54-I68 CarbonylContact O-C 3.11Å; E54-I68 WeakPolarHBondContact O-CA 3.42Å; E54-T69 PolarHBondContact N-O 3.43Å; E54-T69 PolarHBondContact O-N 2.83Å; E54-K71 HydrophobicContact CB-CD 4.42Å; E54-K71 HydrophobicContact CB-CG 4.21Å; E54-K71 VanDerWaalsContact CD-NZ 3.3Å; E54-K71 WeakPolarHBondContact OE1-CE 3.09Å; E54-K71 IonicContact OE1-NZ 3.58Å; E54-K71 PolarHBondContact OE1-NZ 3.5Å; E54-K71 VanDerWaalsContact OE2-CE 3.26Å; E54-K71 WeakPolarHBondContact OE2-CE 3.37Å; E54-K71 IonicContact OE2-NZ 2.63Å; E54-K71 PolarHBondContact OE2-NZ 2.79Å |
| 55 | I | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.8 | 176.1 | -48.2 | 178.2 | 0 | 0 | 0 | 106.9 | F22 T34 W35 I53 F57 P66 K67 I68 T101 I105 | F22-I55 HydrophobicContact CZ-CD1 4.49Å; T34-I55 WeakPolarHBondContact CA-O 3.37Å; W35-I55 HydrophobicContact CB-CB 4.33Å; W35-I55 PolarHBondContact N-O 3.5Å; W35-I55 PolarHBondContact O-N 2.97Å; I53-I55 HydrophobicContact CD1-CD1 4.08Å; I53-I55 HydrophobicContact CD1-CG1 3.99Å; I55-F57 HydrophobicContact CB-CE2 4.16Å; I55-F57 HydrophobicContact CB-CZ 4.4Å; I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE1 4.12Å; I55-F57 HydrophobicContact CG2-CE2 3.67Å; I55-F57 HydrophobicContact CG2-CZ 3.56Å; I55-P66 HydrophobicContact CG2-CB 3.86Å; I55-K67 CarbonylContact C-O 3.55Å; I55-K67 WeakPolarHBondContact CA-O 3.41Å; I55-I68 HydrophobicContact CG1-CG1 4.33Å; I55-I68 HydrophobicContact CG2-CG1 4.33Å; I55-T101 HydrophobicContact CD1-CG2 4.36Å; I55-I105 HydrophobicContact CD1-CD1 4.08Å; I55-I105 HydrophobicContact CD1-CG1 3.95Å |
| 56 | I | 97.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 37 Ų | 37 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 116.6 | 179.1 | -56.1 | 176.6 | 0 | 0 | 0 | 108.3 | E54 P66 K67 | E54-I56 HydrophobicContact CG-CG1 4.01Å; I56-P66 CarbonylContact O-C 3.52Å; I56-P66 WeakPolarHBondContact O-CA 3.34Å; I56-K67 PolarHBondContact N-O 2.87Å; I56-K67 PolarHBondContact O-N 2.96Å |
| 57 | F | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | trans | -90.5 | 128.9 | 176.1 | -59.9 | -88.1 | 0 | 0 | 0 | 109.8 | L7 L33 W35 I55 Y61 P66 T101 | L7-F57 HydrophobicContact CD1-CB 3.99Å; L7-F57 HydrophobicContact CD1-CD1 4.37Å; L7-F57 HydrophobicContact CD1-CD2 4.19Å; L7-F57 HydrophobicContact CD1-CG 3.92Å; L7-F57 HydrophobicContact CD2-CD1 3.5Å; L7-F57 HydrophobicContact CD2-CD2 4.03Å; L7-F57 HydrophobicContact CD2-CE1 3.46Å; L7-F57 VanDerWaalsContact CD2-CE1 3.46Å; L7-F57 HydrophobicContact CD2-CE2 4.02Å; L7-F57 HydrophobicContact CD2-CG 3.79Å; L7-F57 HydrophobicContact CD2-CZ 3.73Å; L33-F57 HydrophobicContact CB-CB 4.33Å; L33-F57 HydrophobicContact CD2-CB 4.14Å; L33-F57 WeakPolarHBondContact O-CD2 3.12Å; L33-F57 PolarHBondContact O-N 3.44Å; W35-F57 HydrophobicContact CB-CE2 4.36Å; W35-F57 AromaticContact CD1-CE2 3.76Å; W35-F57 AromaticContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CZ 4.06Å; W35-F57 AromaticContact CE2-CE2 3.65Å; W35-F57 HydrophobicContact CE3-CE2 4.2Å; W35-F57 HydrophobicContact CE3-CZ 4.22Å; W35-F57 AromaticContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CH2-CZ 4.5Å; W35-F57 HydrophobicContact CZ2-CE2 4.27Å; W35-F57 HydrophobicContact CZ2-CZ 4.34Å; W35-F57 HydrophobicContact CZ3-CZ 4.44Å; W35-F57 AromaticContact NE1-CE2 3.71Å; I55-F57 HydrophobicContact CB-CE2 4.16Å; I55-F57 HydrophobicContact CB-CZ 4.4Å; I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE1 4.12Å; I55-F57 HydrophobicContact CG2-CE2 3.67Å; I55-F57 HydrophobicContact CG2-CZ 3.56Å; F57-Y61 HydrophobicContact CB-CG 4.49Å; F57-Y61 HydrophobicContact CD1-CD1 4.4Å; F57-Y61 AromaticContact CD1-CD2 3.76Å; F57-Y61 HydrophobicContact CD1-CD2 3.76Å; F57-Y61 AromaticContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CG 4.04Å; F57-Y61 HydrophobicContact CE1-CD2 4.49Å; F57-Y61 HydrophobicContact CE1-CE2 4.14Å; F57-P66 HydrophobicContact CD1-CB 3.7Å; F57-P66 HydrophobicContact CD1-CG 4.4Å; F57-P66 HydrophobicContact CE1-CB 3.85Å; F57-P66 HydrophobicContact CE1-CG 4.23Å; F57-P66 HydrophobicContact CG-CB 4.38Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å | ||
| 58 | P | 96.3 | Very high | 96.8 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 20% | 0.195 | 21% | 0.212 | C | C | . | . | trans | -66.8 | 156.6 | 171.5 | 28.9 | -34.2 | 0 | 0 | 0 | 110.7 | E60 Y61 K64 P65 | P58-E60 PolarHBondContact O-N 3.49Å; P58-E60 VanDerWaalsContact O-N 3.16Å; P58-Y61 WeakPolarHBondContact O-CB 3.47Å; P58-Y61 PolarHBondContact O-N 2.84Å; P58-K64 HydrophobicContact CB-CB 4.21Å; P58-K64 HydrophobicContact CG-CB 3.57Å; P58-P65 VanDerWaalsContact CD-O 3.3Å; P58-P65 WeakPolarHBondContact CD-O 3.36Å; P58-P65 WeakPolarHBondContact CG-O 3.22Å | ||
| 59 | A | 93.5 | Very high | 97 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 47% | 0.471 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y61 | A59-Y61 VanDerWaalsContact C-N 3.27Å; A59-Y61 PolarHBondContact O-N 3.49Å |
| 60 | E | 95.3 | Very high | 97.1 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 41% | 0.407 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 4.3 | 177 | -51.1 | 95.4 | 133.1 | 0 | 0 | 113.4 | P58 F63 K64 | P58-E60 PolarHBondContact O-N 3.49Å; P58-E60 VanDerWaalsContact O-N 3.16Å; E60-F63 WeakPolarHBondContact O-CA 3.45Å; E60-F63 WeakPolarHBondContact O-CB 3.41Å; E60-F63 WeakPolarHBondContact O-CD2 3.26Å; E60-F63 PolarHBondContact O-N 2.7Å; E60-K64 HydrophobicContact CB-CB 4.46Å; E60-K64 HydrophobicContact CB-CD 4.12Å; E60-K64 HydrophobicContact CB-CG 4.18Å; E60-K64 HydrophobicContact CG-CD 4.37Å; E60-K64 PolarHBondContact O-N 2.97Å; E60-K64 IonicContact OE1-NZ 2.78Å; E60-K64 PolarHBondContact OE1-NZ 3.35Å |
| 61 | Y | 96.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 133.2 | 172.8 | -177.1 | -92.8 | 0 | 0 | 0 | 110.3 | A3 R6 L7 E10 F57 P58 A59 W95 | A3-Y61 WeakPolarHBondContact CA-O 3.41Å; A3-Y61 WeakPolarHBondContact CB-O 3.31Å; R6-Y61 HydrophobicContact CG-CE1 4.17Å; R6-Y61 PolarHBondContact NH2-OH 2.81Å; L7-Y61 HydrophobicContact CD1-CD1 4.3Å; L7-Y61 HydrophobicContact CD2-CD1 3.9Å; L7-Y61 HydrophobicContact CD2-CE1 3.62Å; L7-Y61 HydrophobicContact CG-CD1 3.98Å; L7-Y61 HydrophobicContact CG-CE1 4.04Å; E10-Y61 PolarHBondContact OE1-OH 3.44Å; E10-Y61 VanDerWaalsContact OE1-OH 3.11Å; E10-Y61 PolarHBondContact OE2-OH 2.97Å; F57-Y61 HydrophobicContact CB-CG 4.49Å; F57-Y61 HydrophobicContact CD1-CD1 4.4Å; F57-Y61 AromaticContact CD1-CD2 3.76Å; F57-Y61 HydrophobicContact CD1-CD2 3.76Å; F57-Y61 AromaticContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CG 4.04Å; F57-Y61 HydrophobicContact CE1-CD2 4.49Å; F57-Y61 HydrophobicContact CE1-CE2 4.14Å; P58-Y61 WeakPolarHBondContact O-CB 3.47Å; P58-Y61 PolarHBondContact O-N 2.84Å; A59-Y61 VanDerWaalsContact C-N 3.27Å; A59-Y61 PolarHBondContact O-N 3.49Å; Y61-W95 HydrophobicContact CD2-CZ2 4.22Å; Y61-W95 AromaticContact CE2-CH2 3.87Å; Y61-W95 HydrophobicContact CE2-CH2 3.87Å; Y61-W95 AromaticContact CE2-CZ2 3.66Å; Y61-W95 HydrophobicContact CE2-CZ2 3.66Å |
| 62 | P | 96.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 46 Ų | 46 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.9 | 11 | 11.9 | 39.4 | -39.2 | 0 | 0 | 0 | 115.2 | R6 K64 W95 P97 | R6-P62 VanDerWaalsContact NH1-CG 3.26Å; P62-K64 VanDerWaalsContact C-N 3.34Å; P62-W95 PolarHBondContact O-NE1 3.29Å; P62-P97 HydrophobicContact CB-CB 4.21Å; P62-P97 HydrophobicContact CG-CB 4.25Å; P62-P97 VanDerWaalsContact O-CA 3.28Å; P62-P97 WeakPolarHBondContact O-CA 3.35Å; P62-P97 WeakPolarHBondContact O-CB 3.22Å |
| 63 | F | 96.1 | Very high | 97.1 | Very high | 162 Ų | 162 | 50.5 Ų | 50.5 | 71% | 0.711 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -74.7 | -25.1 | -179.6 | -57.5 | -71.4 | 0 | 0 | 0 | 113.1 | E60 P97 | E60-F63 WeakPolarHBondContact O-CA 3.45Å; E60-F63 WeakPolarHBondContact O-CB 3.41Å; E60-F63 WeakPolarHBondContact O-CD2 3.26Å; E60-F63 PolarHBondContact O-N 2.7Å; F63-P97 HydrophobicContact CD1-CG 4.34Å |
| 64 | K | 96.4 | Very high | 97.1 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 45% | 0.452 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -113 | 145.3 | 168.9 | -69.6 | -177.5 | -177.8 | 169.4 | 0 | 110.5 | P58 E60 P62 | P58-K64 HydrophobicContact CB-CB 4.21Å; P58-K64 HydrophobicContact CG-CB 3.57Å; E60-K64 HydrophobicContact CB-CB 4.46Å; E60-K64 HydrophobicContact CB-CD 4.12Å; E60-K64 HydrophobicContact CB-CG 4.18Å; E60-K64 HydrophobicContact CG-CD 4.37Å; E60-K64 PolarHBondContact O-N 2.97Å; E60-K64 IonicContact OE1-NZ 2.78Å; E60-K64 PolarHBondContact OE1-NZ 3.35Å; P62-K64 VanDerWaalsContact C-N 3.34Å |
| 65 | P | 97.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 20% | 0.195 | 25% | 0.25 | C | S | . | . | trans | -68.7 | 154.4 | 179.5 | 26.6 | -33.1 | 0 | 0 | 0 | 112.2 | P58 I90 W95 | P58-P65 VanDerWaalsContact CD-O 3.3Å; P58-P65 WeakPolarHBondContact CD-O 3.36Å; P58-P65 WeakPolarHBondContact CG-O 3.22Å; P65-I90 HydrophobicContact CB-CB 4.04Å; P65-I90 VanDerWaalsContact CB-O 3.29Å; P65-I90 WeakPolarHBondContact CB-O 3.4Å; P65-I90 WeakPolarHBondContact CG-O 3.3Å; P65-W95 HydrophobicContact CB-CB 4.01Å; P65-W95 HydrophobicContact CB-CD2 3.52Å; P65-W95 HydrophobicContact CB-CE3 3.71Å; P65-W95 HydrophobicContact CB-CG 3.64Å; P65-W95 HydrophobicContact CB-CZ3 4.42Å; P65-W95 HydrophobicContact CG-CB 4.15Å; P65-W95 HydrophobicContact CG-CD2 4.46Å; P65-W95 HydrophobicContact CG-CG 4.08Å | ||
| 66 | P | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | trans | -69.8 | 160 | 166.8 | 31.6 | -33.4 | 0 | 0 | 0 | 111.3 | I55 I56 F57 I90 | I55-P66 HydrophobicContact CG2-CB 3.86Å; I56-P66 CarbonylContact O-C 3.52Å; I56-P66 WeakPolarHBondContact O-CA 3.34Å; F57-P66 HydrophobicContact CD1-CB 3.7Å; F57-P66 HydrophobicContact CD1-CG 4.4Å; F57-P66 HydrophobicContact CE1-CB 3.85Å; F57-P66 HydrophobicContact CE1-CG 4.23Å; F57-P66 HydrophobicContact CG-CB 4.38Å; P66-I90 HydrophobicContact CG-CG2 3.99Å | ||
| 67 | K | 97.2 | Very high | 97.2 | Very high | 156 Ų | 156 | 47.9 Ų | 47.9 | 68% | 0.678 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141 | 168.7 | -67.1 | -177.4 | 178.5 | -179.1 | 0 | 109.6 | I55 I56 | I55-K67 CarbonylContact C-O 3.55Å; I55-K67 WeakPolarHBondContact CA-O 3.41Å; I56-K67 PolarHBondContact N-O 2.87Å; I56-K67 PolarHBondContact O-N 2.96Å |
| 68 | I | 98.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.9 | 176.8 | -52.4 | 175.1 | 0 | 0 | 0 | 109.4 | I53 E54 I55 V85 L87 I90 V104 L108 | I53-I68 HydrophobicContact CB-CG2 4.21Å; I53-I68 HydrophobicContact CD1-CG2 4.13Å; E54-I68 CarbonylContact O-C 3.11Å; E54-I68 WeakPolarHBondContact O-CA 3.42Å; I55-I68 HydrophobicContact CG1-CG1 4.33Å; I55-I68 HydrophobicContact CG2-CG1 4.33Å; I68-V85 HydrophobicContact CB-CG1 4.21Å; I68-V85 HydrophobicContact CG2-CG1 4.49Å; I68-L87 HydrophobicContact CD1-CD1 3.89Å; I68-I90 HydrophobicContact CD1-CD1 4.11Å; I68-I90 HydrophobicContact CG1-CD1 4.09Å; I68-V104 HydrophobicContact CD1-CG1 3.54Å; I68-L108 HydrophobicContact CD1-CD2 4.01Å; I68-L108 HydrophobicContact CG2-CD2 3.78Å |
| 69 | T | 98.1 | Very high | 97.3 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 131.6 | 174.9 | -57 | 0 | 0 | 0 | 0 | 110.2 | I53 E54 G83 | I53-T69 CarbonylContact C-O 3.59Å; I53-T69 WeakPolarHBondContact CA-O 3.35Å; E54-T69 PolarHBondContact N-O 3.43Å; E54-T69 PolarHBondContact O-N 2.83Å; T69-G83 CarbonylContact C-O 3.59Å; T69-G83 WeakPolarHBondContact CA-O 3.39Å |
| 70 | F | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125 | 171.1 | -76.8 | -105.2 | 0 | 0 | 0 | 109.7 | I39 F51 I53 I74 I79 G83 V85 L108 V112 | I39-F70 HydrophobicContact CD1-CE1 4.23Å; I39-F70 HydrophobicContact CD1-CZ 4.03Å; F51-F70 HydrophobicContact CB-CD1 4Å; F51-F70 HydrophobicContact CB-CE1 3.91Å; I53-F70 HydrophobicContact CG2-CD1 3.76Å; I53-F70 HydrophobicContact CG2-CD2 4.14Å; I53-F70 HydrophobicContact CG2-CE1 3.71Å; I53-F70 HydrophobicContact CG2-CE2 4.08Å; I53-F70 HydrophobicContact CG2-CG 3.96Å; I53-F70 HydrophobicContact CG2-CZ 3.87Å; F70-I74 HydrophobicContact CD1-CG2 4.22Å; F70-I74 HydrophobicContact CE1-CD1 4.38Å; F70-I79 HydrophobicContact CB-CG2 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.37Å; F70-I79 HydrophobicContact CD2-CD1 3.95Å; F70-I79 HydrophobicContact CD2-CG1 4.39Å; F70-I79 HydrophobicContact CD2-CG2 3.91Å; F70-I79 HydrophobicContact CE1-CD1 3.93Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CE2-CG1 4.11Å; F70-I79 HydrophobicContact CE2-CG2 4.46Å; F70-I79 HydrophobicContact CG-CD1 4.39Å; F70-I79 HydrophobicContact CG-CG2 4.21Å; F70-I79 HydrophobicContact CZ-CD1 3.47Å; F70-I79 VanDerWaalsContact CZ-CD1 3.47Å; F70-G83 PolarHBondContact N-O 3.44Å; F70-V85 HydrophobicContact CE2-CB 4.47Å; F70-V85 HydrophobicContact CE2-CG1 4.43Å; F70-L108 HydrophobicContact CE2-CD1 3.77Å; F70-L108 HydrophobicContact CE2-CD2 4.22Å; F70-L108 HydrophobicContact CE2-CG 4.46Å; F70-L108 HydrophobicContact CZ-CD1 3.88Å; F70-L108 HydrophobicContact CZ-CD2 4.24Å; F70-L108 HydrophobicContact CZ-CG 4.29Å; F70-V112 HydrophobicContact CE1-CG2 4.38Å; F70-V112 HydrophobicContact CZ-CG2 3.86Å |
| 71 | K | 98.1 | Very high | 97.4 | Very high | 105 Ų | 105 | 49 Ų | 49 | 46% | 0.457 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -88.2 | -31.6 | 171.2 | -60.4 | -61.8 | -178.3 | 177.6 | 0 | 111.1 | R52 E54 | R52-K71 HydrophobicContact CB-CB 4.27Å; R52-K71 HydrophobicContact CG-CB 4.17Å; R52-K71 PolarHBondContact O-N 2.96Å; E54-K71 HydrophobicContact CB-CD 4.42Å; E54-K71 HydrophobicContact CB-CG 4.21Å; E54-K71 VanDerWaalsContact CD-NZ 3.3Å; E54-K71 WeakPolarHBondContact OE1-CE 3.09Å; E54-K71 IonicContact OE1-NZ 3.58Å; E54-K71 PolarHBondContact OE1-NZ 3.5Å; E54-K71 VanDerWaalsContact OE2-CE 3.26Å; E54-K71 WeakPolarHBondContact OE2-CE 3.37Å; E54-K71 IonicContact OE2-NZ 2.63Å; E54-K71 PolarHBondContact OE2-NZ 2.79Å |
| 72 | T | 97.9 | Very high | 97.4 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -85 | 130.7 | 171.8 | -50.4 | 0 | 0 | 0 | 0 | 109.7 | F51 R52 H147 E149 | F51-T72 HydrophobicContact CD1-CG2 3.98Å; R52-T72 WeakPolarHBondContact CB-OG1 3.22Å; R52-T72 PolarHBondContact N-OG1 2.74Å; R52-T72 PolarHBondContact O-N 2.99Å; T72-H147 WeakPolarHBondContact CG2-O 3.44Å; T72-E149 HydrophobicContact CG2-CG 4.38Å |
| 73 | K | 97.6 | Very high | 97.4 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 59% | 0.591 | 26% | 0.258 | S | S | * | . | trans | -61.9 | 139.1 | 174.6 | -63.2 | -174.4 | 177.4 | -172.5 | 0 | 109.9 | F143 H147 | K73-F143 HydrophobicContact CB-CE1 3.74Å; K73-F143 HydrophobicContact CB-CZ 3.95Å; K73-H147 HydrophobicContact CB-CB 4.26Å | ||
| 74 | I | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | trans | -136.2 | 144.6 | 178.3 | -169.5 | 171.9 | 0 | 0 | 0 | 110.4 | Y46 F51 F70 H76 I79 V112 | Y46-I74 HydrophobicContact CD1-CD1 4.18Å; Y46-I74 HydrophobicContact CD1-CG1 4.21Å; Y46-I74 HydrophobicContact CE1-CD1 4.19Å; Y46-I74 HydrophobicContact CE1-CG1 4.01Å; F51-I74 HydrophobicContact CD1-CB 3.79Å; F51-I74 HydrophobicContact CD1-CD1 3.82Å; F51-I74 HydrophobicContact CD1-CG1 3.88Å; F51-I74 HydrophobicContact CD2-CD1 4.24Å; F51-I74 HydrophobicContact CE1-CB 3.71Å; F51-I74 HydrophobicContact CE1-CD1 3.72Å; F51-I74 HydrophobicContact CE1-CG1 3.46Å; F51-I74 VanDerWaalsContact CE1-CG1 3.46Å; F51-I74 HydrophobicContact CE2-CD1 4.18Å; F51-I74 HydrophobicContact CG-CD1 4.07Å; F51-I74 HydrophobicContact CZ-CD1 3.9Å; F51-I74 HydrophobicContact CZ-CG1 3.91Å; F70-I74 HydrophobicContact CD1-CG2 4.22Å; F70-I74 HydrophobicContact CE1-CD1 4.38Å; I74-H76 HydrophobicContact CD1-CB 4.21Å; I74-H76 HydrophobicContact CG1-CB 4.06Å; I74-H76 HydrophobicContact CG2-CB 4.2Å; I74-H76 PolarHBondContact O-N 2.9Å; I74-I79 HydrophobicContact CD1-CD1 4.11Å; I74-I79 HydrophobicContact CG2-CB 3.89Å; I74-I79 HydrophobicContact CG2-CD1 3.61Å; I74-I79 HydrophobicContact CG2-CG1 4.35Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; I74-V112 HydrophobicContact CD1-CG1 4.31Å | ||
| 75 | Y | 98.2 | Very high | 97.4 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 14% | 0.137 | 23% | 0.232 | C | C | . | . | trans | -94.9 | 82.6 | 175.8 | -166.5 | -89.7 | 0 | 0 | 0 | 109.3 | Y46 L125 E128 F136 N139 A140 F143 | Y46-Y75 WeakPolarHBondContact CE1-O 3.14Å; Y46-Y75 PolarHBondContact OH-O 3.49Å; Y75-L125 HydrophobicContact CD1-CD1 3.99Å; Y75-L125 HydrophobicContact CD1-CD2 4.34Å; Y75-L125 HydrophobicContact CD2-CD1 4.23Å; Y75-L125 HydrophobicContact CD2-CD2 4.39Å; Y75-L125 HydrophobicContact CE1-CD1 4.05Å; Y75-L125 HydrophobicContact CE1-CD2 3.58Å; Y75-L125 HydrophobicContact CE1-CG 4.38Å; Y75-L125 HydrophobicContact CE2-CD1 4.27Å; Y75-L125 HydrophobicContact CE2-CD2 3.62Å; Y75-L125 HydrophobicContact CG-CD1 4.1Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.33Å; Y75-E128 PolarHBondContact OH-OE2 3.35Å; Y75-F136 HydrophobicContact CD1-CD2 4.31Å; Y75-F136 AromaticContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CZ 4.19Å; Y75-F136 AromaticContact CE1-CD2 3.81Å; Y75-F136 HydrophobicContact CE1-CD2 3.81Å; Y75-F136 AromaticContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CZ 4.49Å; Y75-N139 HydrophobicContact CE1-CB 3.94Å; Y75-A140 HydrophobicContact CD1-CB 3.82Å; Y75-A140 HydrophobicContact CG-CB 4.46Å; Y75-F143 HydrophobicContact CD2-CB 4.48Å; Y75-F143 HydrophobicContact CD2-CD2 4.09Å; Y75-F143 HydrophobicContact CD2-CG 4.26Å; Y75-F143 HydrophobicContact CG-CB 4.39Å; Y75-F143 HydrophobicContact CG-CG 4.42Å | ||
| 76 | H | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -139.5 | 136.2 | -171.3 | -165.5 | -79.1 | 0 | 0 | 0 | 111 | Y46 I74 N78 I79 L111 V112 P115 | Y46-H76 AromaticContact CE2-CD2 3.65Å; Y46-H76 AromaticContact CZ-CD2 3.49Å; Y46-H76 VanDerWaalsContact CZ-CD2 3.49Å; Y46-H76 PolarHBondContact OH-CD2 3.38Å; I74-H76 HydrophobicContact CD1-CB 4.21Å; I74-H76 HydrophobicContact CG1-CB 4.06Å; I74-H76 HydrophobicContact CG2-CB 4.2Å; I74-H76 PolarHBondContact O-N 2.9Å; H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 2.89Å; H76-N78 PolarHBondContact ND1-N 3.18Å; H76-N78 PolarHBondContact O-N 2.93Å; H76-I79 HydrophobicContact CB-CB 4.16Å; H76-I79 HydrophobicContact CB-CD1 3.95Å; H76-I79 HydrophobicContact CB-CG1 4.18Å; H76-I79 PolarHBondContact O-N 3.49Å; H76-L111 PolarHBondContact CE1-O 3.07Å; H76-L111 VanDerWaalsContact CE1-O 3.3Å; H76-L111 PolarHBondContact NE2-O 2.91Å; H76-V112 PolarHBondContact NE2-O 3.32Å; H76-P115 WeakPolarHBondContact NE2-CG 3.42Å | ||
| 77 | P | 98 | Very high | 97 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -29.3 | -176.6 | 26.4 | -35.1 | 0 | 0 | 0 | 113.5 | P115 P120 L121 R122 L125 A126 | P77-P115 HydrophobicContact CG-CB 3.51Å; P77-P115 HydrophobicContact CG-CG 4.5Å; P77-P120 HydrophobicContact CB-CB 4.37Å; P77-L121 PolarHBondContact O-N 3.37Å; P77-R122 PolarHBondContact O-N 2.94Å; P77-L125 HydrophobicContact CB-CB 4.06Å; P77-A126 HydrophobicContact CB-CB 3.97Å |
| 78 | N | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6.1 | 179.6 | -49.3 | 99.3 | 0 | 0 | 0 | 114.8 | H76 L111 Q116 H119 L121 | H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 2.89Å; H76-N78 PolarHBondContact ND1-N 3.18Å; H76-N78 PolarHBondContact O-N 2.93Å; N78-L111 HydrophobicContact CB-CD1 4.01Å; N78-L111 HydrophobicContact CB-CD2 4.04Å; N78-L111 HydrophobicContact CB-CG 4.19Å; N78-Q116 PolarHBondContact ND2-O 3.13Å; N78-Q116 PolarHBondContact OD1-N 3.46Å; N78-H119 PolarHBondContact ND2-O 3.36Å; N78-L121 WeakPolarHBondContact O-CD1 3.46Å |
| 79 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -127.7 | 126.5 | 179.6 | -55.4 | 167.2 | 0 | 0 | 0 | 108.2 | F70 I74 H76 Q84 V85 V112 R122 | F70-I79 HydrophobicContact CB-CG2 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.37Å; F70-I79 HydrophobicContact CD2-CD1 3.95Å; F70-I79 HydrophobicContact CD2-CG1 4.39Å; F70-I79 HydrophobicContact CD2-CG2 3.91Å; F70-I79 HydrophobicContact CE1-CD1 3.93Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CE2-CG1 4.11Å; F70-I79 HydrophobicContact CE2-CG2 4.46Å; F70-I79 HydrophobicContact CG-CD1 4.39Å; F70-I79 HydrophobicContact CG-CG2 4.21Å; F70-I79 HydrophobicContact CZ-CD1 3.47Å; F70-I79 VanDerWaalsContact CZ-CD1 3.47Å; I74-I79 HydrophobicContact CD1-CD1 4.11Å; I74-I79 HydrophobicContact CG2-CB 3.89Å; I74-I79 HydrophobicContact CG2-CD1 3.61Å; I74-I79 HydrophobicContact CG2-CG1 4.35Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; H76-I79 HydrophobicContact CB-CB 4.16Å; H76-I79 HydrophobicContact CB-CD1 3.95Å; H76-I79 HydrophobicContact CB-CG1 4.18Å; H76-I79 PolarHBondContact O-N 3.49Å; I79-Q84 WeakPolarHBondContact CA-O 3.25Å; I79-V85 HydrophobicContact CG1-CB 4.31Å; I79-V85 HydrophobicContact CG1-CG2 4.19Å; I79-V112 HydrophobicContact CD1-CG2 4.33Å; I79-R122 VanDerWaalsContact O-CD 3.31Å; I79-R122 WeakPolarHBondContact O-CD 3.49Å |
| 80 | D | 96.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | trans | -78 | 173.4 | -179.8 | 84.8 | -3.7 | 0 | 0 | 0 | 112.4 | K82 G83 Q84 L121 | D80-K82 PolarHBondContact O-N 2.92Å; D80-K82 VanDerWaalsContact OD1-C 3.25Å; D80-K82 VanDerWaalsContact OD1-CA 3.28Å; D80-K82 WeakPolarHBondContact OD1-CA 3.37Å; D80-K82 WeakPolarHBondContact OD1-CB 3.27Å; D80-K82 PolarHBondContact OD1-N 2.92Å; D80-G83 PolarHBondContact O-N 3.49Å; D80-G83 PolarHBondContact OD1-N 3.3Å; D80-Q84 PolarHBondContact N-O 2.95Å; D80-Q84 WeakPolarHBondContact OD1-CB 3.34Å; D80-Q84 PolarHBondContact OD1-N 3.26Å; D80-L121 HydrophobicContact CB-CB 4.35Å; D80-L121 HydrophobicContact CB-CD1 4.36Å | ||
| 81 | E | 94.6 | Very high | 96.4 | Very high | 162 Ų | 162 | 50.4 Ų | 50.4 | 76% | 0.757 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.7 | -179.8 | -60.4 | -167.4 | 154.2 | 0 | 0 | 114.2 | G83 | E81-G83 VanDerWaalsContact C-N 3.32Š|
| 82 | K | 95.6 | Very high | 96.1 | Very high | 166 Ų | 166 | 49.7 Ų | 49.7 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -1.2 | 174.6 | -61.8 | 178.1 | -178.3 | 174.4 | 0 | 111.9 | D80 Q84 | D80-K82 PolarHBondContact O-N 2.92Å; D80-K82 VanDerWaalsContact OD1-C 3.25Å; D80-K82 VanDerWaalsContact OD1-CA 3.28Å; D80-K82 WeakPolarHBondContact OD1-CA 3.37Å; D80-K82 WeakPolarHBondContact OD1-CB 3.27Å; D80-K82 PolarHBondContact OD1-N 2.92Å; K82-Q84 HydrophobicContact CB-CG 4.35Å |
| 83 | G | 96.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 58 Ų | 58 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | trans | 81.4 | 12.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T69 F70 D80 E81 | T69-G83 CarbonylContact C-O 3.59Å; T69-G83 WeakPolarHBondContact CA-O 3.39Å; F70-G83 PolarHBondContact N-O 3.44Å; D80-G83 PolarHBondContact O-N 3.49Å; D80-G83 PolarHBondContact OD1-N 3.3Å; E81-G83 VanDerWaalsContact C-N 3.32Å | ||
| 84 | Q | 96.8 | Very high | 95.7 | Very high | 110 Ų | 110 | 56 Ų | 56 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 143.9 | 174.4 | -55.2 | -169.1 | -24.1 | 0 | 0 | 110.3 | I79 D80 K82 L121 | I79-Q84 WeakPolarHBondContact CA-O 3.25Å; D80-Q84 PolarHBondContact N-O 2.95Å; D80-Q84 WeakPolarHBondContact OD1-CB 3.34Å; D80-Q84 PolarHBondContact OD1-N 3.26Å; K82-Q84 HydrophobicContact CB-CG 4.35Å; Q84-L121 WeakPolarHBondContact O-CD1 3.46Å |
| 85 | V | 96 | Very high | 95.7 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -134.3 | 136.2 | 179.6 | 62 | 0 | 0 | 0 | 0 | 109.6 | I68 F70 I79 L87 L108 L111 | I68-V85 HydrophobicContact CB-CG1 4.21Å; I68-V85 HydrophobicContact CG2-CG1 4.49Å; F70-V85 HydrophobicContact CE2-CB 4.47Å; F70-V85 HydrophobicContact CE2-CG1 4.43Å; I79-V85 HydrophobicContact CG1-CB 4.31Å; I79-V85 HydrophobicContact CG1-CG2 4.19Å; V85-L87 HydrophobicContact CG1-CD1 4.23Å; V85-L87 HydrophobicContact CG2-CG 4.1Å; V85-L108 HydrophobicContact CG1-CD1 4.29Å; V85-L108 HydrophobicContact CG2-CD1 4.08Å; V85-L111 HydrophobicContact CG2-CD2 3.66Å |
| 86 | C | 91.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 58% | 0.581 | 33% | 0.328 | S | S | * | . | trans | -93.6 | 103.3 | 170.9 | -75.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 87 | L | 94.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | trans | -108.4 | 118.7 | 175.6 | -88.8 | 167.1 | 0 | 0 | 0 | 109.9 | I68 V85 V89 I90 S91 L108 L111 | I68-L87 HydrophobicContact CD1-CD1 3.89Å; V85-L87 HydrophobicContact CG1-CD1 4.23Å; V85-L87 HydrophobicContact CG2-CG 4.1Å; L87-V89 HydrophobicContact CB-CG1 4.39Å; L87-V89 PolarHBondContact O-N 3.43Å; L87-V89 VanDerWaalsContact O-N 3.16Å; L87-I90 HydrophobicContact CB-CD1 3.96Å; L87-I90 HydrophobicContact CB-CG1 3.59Å; L87-I90 HydrophobicContact CD1-CD1 4.28Å; L87-I90 WeakPolarHBondContact O-CG1 3.48Å; L87-I90 PolarHBondContact O-N 2.86Å; L87-I90 VanDerWaalsContact O-N 3.09Å; L87-S91 PolarHBondContact O-N 3.48Å; L87-L108 HydrophobicContact CD1-CB 3.79Å; L87-L108 HydrophobicContact CD1-CD1 3.78Å; L87-L108 HydrophobicContact CD1-CG 4.22Å; L87-L108 HydrophobicContact CG-CD1 4.43Å; L87-L111 HydrophobicContact CD2-CB 4.4Å; L87-L111 HydrophobicContact CD2-CD2 3.9Å; L87-L111 HydrophobicContact CG-CD2 4.32Å | ||
| 88 | P | 93.3 | Very high | 95.4 | Very high | 75 Ų | 75 | 68.4 Ų | 68.4 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -55.1 | -35.6 | -179.6 | -28.7 | 35.5 | 0 | 0 | 0 | 113.5 | I90 S91 N94 | P88-I90 PolarHBondContact O-N 3.26Å; P88-S91 PolarHBondContact O-N 3.08Å; P88-S91 PolarHBondContact O-OG 3.23Å; P88-N94 VanDerWaalsContact O-CB 3.29Å; P88-N94 WeakPolarHBondContact O-CB 3.3Å |
| 89 | V | 95.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 69 Ų | 69 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -65.4 | -21.7 | -178.1 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | L87 T99 V104 | L87-V89 HydrophobicContact CB-CG1 4.39Å; L87-V89 PolarHBondContact O-N 3.43Å; L87-V89 VanDerWaalsContact O-N 3.16Å; V89-T99 HydrophobicContact CG2-CG2 3.75Å; V89-V104 HydrophobicContact CG1-CG2 4.3Å; V89-V104 HydrophobicContact CG2-CG2 4.42Å |
| 90 | I | 95.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 72.6 Ų | 72.6 | 10% | 0.097 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -114.3 | 10.5 | 177.1 | 58.9 | 169.9 | 0 | 0 | 0 | 112.8 | P65 P66 I68 L87 P88 W95 V104 | P65-I90 HydrophobicContact CB-CB 4.04Å; P65-I90 VanDerWaalsContact CB-O 3.29Å; P65-I90 WeakPolarHBondContact CB-O 3.4Å; P65-I90 WeakPolarHBondContact CG-O 3.3Å; P66-I90 HydrophobicContact CG-CG2 3.99Å; I68-I90 HydrophobicContact CD1-CD1 4.11Å; I68-I90 HydrophobicContact CG1-CD1 4.09Å; L87-I90 HydrophobicContact CB-CD1 3.96Å; L87-I90 HydrophobicContact CB-CG1 3.59Å; L87-I90 HydrophobicContact CD1-CD1 4.28Å; L87-I90 WeakPolarHBondContact O-CG1 3.48Å; L87-I90 PolarHBondContact O-N 2.86Å; L87-I90 VanDerWaalsContact O-N 3.09Å; P88-I90 PolarHBondContact O-N 3.26Å; I90-W95 HydrophobicContact CG2-CE3 4.22Å; I90-W95 HydrophobicContact CG2-CZ3 4.03Å; I90-V104 HydrophobicContact CG2-CB 4.35Å; I90-V104 HydrophobicContact CG2-CG1 3.64Å; I90-V104 HydrophobicContact CG2-CG2 3.69Å |
| 91 | S | 94.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 71 Ų | 71 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -67.3 | 145.3 | 171.7 | 79.6 | 0 | 0 | 0 | 0 | 109.6 | L87 P88 E93 N94 W95 | L87-S91 PolarHBondContact O-N 3.48Å; P88-S91 PolarHBondContact O-N 3.08Å; P88-S91 PolarHBondContact O-OG 3.23Å; S91-E93 PolarHBondContact O-N 2.81Å; S91-E93 VanDerWaalsContact O-N 3.15Å; S91-N94 PolarHBondContact O-N 2.83Å; S91-N94 VanDerWaalsContact O-N 3.16Å; S91-N94 WeakPolarHBondContact OG-CB 3.36Å; S91-N94 PolarHBondContact OG-N 3.31Å; S91-N94 PolarHBondContact OG-ND2 3.43Å; S91-W95 VanDerWaalsContact O-CB 3.29Å; S91-W95 WeakPolarHBondContact O-CB 3.5Å; S91-W95 PolarHBondContact O-N 3.05Å |
| 92 | A | 92.4 | Very high | 95.2 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 75% | 0.752 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 93 | E | 93.4 | Very high | 95.2 | Very high | 184 Ų | 184 | 61.9 Ų | 61.9 | 86% | 0.86 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -32.7 | -179.2 | -59.9 | 178.9 | -177.9 | 0 | 0 | 113 | S91 | S91-E93 PolarHBondContact O-N 2.81Å; S91-E93 VanDerWaalsContact O-N 3.15Å |
| 94 | N | 94.9 | Very high | 95.3 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -9.5 | -175.7 | -64.6 | -36 | 0 | 0 | 0 | 113.5 | P88 S91 K96 | P88-N94 VanDerWaalsContact O-CB 3.29Å; P88-N94 WeakPolarHBondContact O-CB 3.3Å; S91-N94 PolarHBondContact O-N 2.83Å; S91-N94 VanDerWaalsContact O-N 3.16Å; S91-N94 WeakPolarHBondContact OG-CB 3.36Å; S91-N94 PolarHBondContact OG-N 3.31Å; S91-N94 PolarHBondContact OG-ND2 3.43Å; N94-K96 PolarHBondContact O-N 2.77Å |
| 95 | W | 97.3 | Very high | 95.2 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 10% | 0.095 | 32% | 0.323 | C | S | . | . | trans | -62.1 | 127 | -176.9 | 177 | -108.9 | 0 | 0 | 0 | 111 | Y61 P62 P65 I90 S91 T99 V104 | Y61-W95 HydrophobicContact CD2-CZ2 4.22Å; Y61-W95 AromaticContact CE2-CH2 3.87Å; Y61-W95 HydrophobicContact CE2-CH2 3.87Å; Y61-W95 AromaticContact CE2-CZ2 3.66Å; Y61-W95 HydrophobicContact CE2-CZ2 3.66Å; P62-W95 PolarHBondContact O-NE1 3.29Å; P65-W95 HydrophobicContact CB-CB 4.01Å; P65-W95 HydrophobicContact CB-CD2 3.52Å; P65-W95 HydrophobicContact CB-CE3 3.71Å; P65-W95 HydrophobicContact CB-CG 3.64Å; P65-W95 HydrophobicContact CB-CZ3 4.42Å; P65-W95 HydrophobicContact CG-CB 4.15Å; P65-W95 HydrophobicContact CG-CD2 4.46Å; P65-W95 HydrophobicContact CG-CG 4.08Å; I90-W95 HydrophobicContact CG2-CE3 4.22Å; I90-W95 HydrophobicContact CG2-CZ3 4.03Å; S91-W95 VanDerWaalsContact O-CB 3.29Å; S91-W95 WeakPolarHBondContact O-CB 3.5Å; S91-W95 PolarHBondContact O-N 3.05Å; W95-T99 HydrophobicContact CE3-CG2 4.47Å; W95-T99 HydrophobicContact CH2-CG2 4.23Å; W95-T99 HydrophobicContact CZ3-CG2 3.73Å; W95-V104 HydrophobicContact CZ3-CG2 4.13Å | ||
| 96 | K | 96.5 | Very high | 95.2 | Very high | 143 Ų | 143 | 60.8 Ų | 60.8 | 62% | 0.622 | 34% | 0.342 | S | S | * | . | trans | -114 | 129.4 | 172.8 | -64.7 | 177.6 | -175.9 | 177 | 0 | 107.8 | N94 A98 T99 | N94-K96 PolarHBondContact O-N 2.77Å; K96-A98 PolarHBondContact O-N 2.79Å; K96-T99 VanDerWaalsContact O-CB 3.24Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 3.05Å; K96-T99 PolarHBondContact O-OG1 2.87Å; K96-T99 VanDerWaalsContact O-OG1 3.12Å | ||
| 97 | P | 96.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.5 | 175.9 | -27.8 | 35.8 | 0 | 0 | 0 | 113.8 | R6 P62 F63 T99 | R6-P97 PolarHBondContact NH1-O 2.97Å; R6-P97 PolarHBondContact NH2-O 2.84Å; P62-P97 HydrophobicContact CB-CB 4.21Å; P62-P97 HydrophobicContact CG-CB 4.25Å; P62-P97 VanDerWaalsContact O-CA 3.28Å; P62-P97 WeakPolarHBondContact O-CA 3.35Å; P62-P97 WeakPolarHBondContact O-CB 3.22Å; F63-P97 HydrophobicContact CD1-CG 4.34Å; P97-T99 VanDerWaalsContact C-N 3.31Å |
| 98 | A | 96.4 | Very high | 95.5 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 69% | 0.686 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -18 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | K96 K100 | K96-A98 PolarHBondContact O-N 2.79Å; A98-K100 PolarHBondContact O-N 2.95Å |
| 99 | T | 96.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | trans | -63.7 | 128.1 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | R6 V89 W95 K96 P97 Q103 V104 | R6-T99 PolarHBondContact NH2-O 3.43Å; V89-T99 HydrophobicContact CG2-CG2 3.75Å; W95-T99 HydrophobicContact CE3-CG2 4.47Å; W95-T99 HydrophobicContact CH2-CG2 4.23Å; W95-T99 HydrophobicContact CZ3-CG2 3.73Å; K96-T99 VanDerWaalsContact O-CB 3.24Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 3.05Å; K96-T99 PolarHBondContact O-OG1 2.87Å; K96-T99 VanDerWaalsContact O-OG1 3.12Å; P97-T99 VanDerWaalsContact C-N 3.31Å; T99-Q103 HydrophobicContact CG2-CB 4.45Å; T99-V104 HydrophobicContact CG2-CG2 3.9Å | ||
| 100 | K | 95.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | trans | -92.6 | 158.6 | 179 | -70.4 | -172.7 | 173.4 | -164 | 0 | 111.8 | E13 A98 D102 Q103 V104 | E13-K100 IonicContact OE2-NZ 3.45Å; E13-K100 PolarHBondContact OE2-NZ 2.85Å; A98-K100 PolarHBondContact O-N 2.95Å; K100-D102 VanDerWaalsContact C-N 3.32Å; K100-D102 WeakPolarHBondContact CB-OD1 3.33Å; K100-D102 PolarHBondContact O-N 3.25Å; K100-Q103 HydrophobicContact CB-CG 4.43Å; K100-Q103 WeakPolarHBondContact O-CB 3.35Å; K100-Q103 PolarHBondContact O-N 2.91Å; K100-V104 PolarHBondContact O-N 3.1Å | ||
| 101 | T | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -34.4 | -178.3 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | E10 I14 W35 I55 F57 Q103 V104 I105 | E10-T101 WeakPolarHBondContact OE2-CB 3.2Å; E10-T101 PolarHBondContact OE2-N 2.8Å; E10-T101 PolarHBondContact OE2-OG1 3.23Å; I14-T101 HydrophobicContact CD1-CG2 4.19Å; W35-T101 HydrophobicContact CE3-CG2 4.17Å; W35-T101 HydrophobicContact CH2-CG2 4.34Å; W35-T101 HydrophobicContact CZ3-CG2 3.7Å; I55-T101 HydrophobicContact CD1-CG2 4.36Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å; T101-Q103 PolarHBondContact O-N 2.81Å; T101-V104 WeakPolarHBondContact O-CB 3.47Å; T101-V104 PolarHBondContact O-N 3.3Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 HydrophobicContact CG2-CG1 4.38Å; T101-I105 WeakPolarHBondContact O-CG1 3.34Å; T101-I105 PolarHBondContact O-N 3.2Å |
| 102 | D | 95 | Very high | 95.7 | Very high | 44 Ų | 44 | 54 Ų | 54 | 24% | 0.235 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.1 | 63.1 | -22 | 0 | 0 | 0 | 112 | I14 K100 V104 I105 Q106 | I14-D102 HydrophobicContact CD1-CB 4.27Å; I14-D102 HydrophobicContact CG1-CB 3.98Å; K100-D102 VanDerWaalsContact C-N 3.32Å; K100-D102 WeakPolarHBondContact CB-OD1 3.33Å; K100-D102 PolarHBondContact O-N 3.25Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.12Å; D102-I105 PolarHBondContact O-N 3.28Å; D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 VanDerWaalsContact O-CG 3.26Å; D102-Q106 WeakPolarHBondContact O-CG 3.38Å; D102-Q106 PolarHBondContact O-N 3.33Å |
| 103 | Q | 95.7 | Very high | 95.7 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 175.4 | -62.3 | 177.6 | -47.3 | 0 | 0 | 111.4 | T99 K100 T101 Q106 S107 | T99-Q103 HydrophobicContact CG2-CB 4.45Å; K100-Q103 HydrophobicContact CB-CG 4.43Å; K100-Q103 WeakPolarHBondContact O-CB 3.35Å; K100-Q103 PolarHBondContact O-N 2.91Å; T101-Q103 PolarHBondContact O-N 2.81Å; Q103-Q106 PolarHBondContact O-N 3.25Å; Q103-S107 WeakPolarHBondContact O-CB 3.35Å; Q103-S107 PolarHBondContact O-N 3.32Å |
| 104 | V | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 175.9 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | I68 V89 I90 W95 T99 K100 T101 D102 S107 L108 | I68-V104 HydrophobicContact CD1-CG1 3.54Å; V89-V104 HydrophobicContact CG1-CG2 4.3Å; V89-V104 HydrophobicContact CG2-CG2 4.42Å; I90-V104 HydrophobicContact CG2-CB 4.35Å; I90-V104 HydrophobicContact CG2-CG1 3.64Å; I90-V104 HydrophobicContact CG2-CG2 3.69Å; W95-V104 HydrophobicContact CZ3-CG2 4.13Å; T99-V104 HydrophobicContact CG2-CG2 3.9Å; K100-V104 PolarHBondContact O-N 3.1Å; T101-V104 WeakPolarHBondContact O-CB 3.47Å; T101-V104 PolarHBondContact O-N 3.3Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.12Å; V104-S107 PolarHBondContact O-N 3.35Å; V104-L108 PolarHBondContact O-N 2.75Å |
| 105 | I | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 178.1 | -67.9 | 161.5 | 0 | 0 | 0 | 110.8 | I14 M19 F22 I55 T101 D102 S107 L108 I109 | I14-I105 HydrophobicContact CD1-CD1 4.22Å; M19-I105 HydrophobicContact CE-CB 4.45Å; M19-I105 HydrophobicContact CE-CD1 4.03Å; M19-I105 HydrophobicContact CE-CG2 4.04Å; F22-I105 HydrophobicContact CB-CG2 3.91Å; F22-I105 HydrophobicContact CD1-CD1 3.8Å; F22-I105 HydrophobicContact CD1-CG2 4.22Å; F22-I105 HydrophobicContact CD2-CG2 4.16Å; F22-I105 HydrophobicContact CE1-CD1 3.61Å; F22-I105 HydrophobicContact CG-CD1 4.46Å; F22-I105 HydrophobicContact CG-CG2 3.84Å; F22-I105 HydrophobicContact CZ-CD1 4.16Å; I55-I105 HydrophobicContact CD1-CD1 4.08Å; I55-I105 HydrophobicContact CD1-CG1 3.95Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 HydrophobicContact CG2-CG1 4.38Å; T101-I105 WeakPolarHBondContact O-CG1 3.34Å; T101-I105 PolarHBondContact O-N 3.2Å; D102-I105 PolarHBondContact O-N 3.28Å; I105-S107 PolarHBondContact O-N 3.01Å; I105-L108 WeakPolarHBondContact O-CB 3.42Å; I105-L108 PolarHBondContact O-N 3.43Å; I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.37Å; I105-I109 VanDerWaalsContact O-CG1 3.3Å; I105-I109 WeakPolarHBondContact O-CG1 3.2Å; I105-I109 PolarHBondContact O-N 2.87Å |
| 106 | Q | 94.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 45.6 Ų | 45.6 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.1 | -74.1 | 172.1 | 4.7 | 0 | 0 | 111.8 | D102 Q103 L108 I109 A110 | D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 VanDerWaalsContact O-CG 3.26Å; D102-Q106 WeakPolarHBondContact O-CG 3.38Å; D102-Q106 PolarHBondContact O-N 3.33Å; Q103-Q106 PolarHBondContact O-N 3.25Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.01Å; Q106-I109 PolarHBondContact O-N 2.86Å; Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 2.86Å |
| 107 | S | 96.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -36.7 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | Q103 V104 I105 L111 | Q103-S107 WeakPolarHBondContact O-CB 3.35Å; Q103-S107 PolarHBondContact O-N 3.32Å; V104-S107 PolarHBondContact O-N 3.35Å; I105-S107 PolarHBondContact O-N 3.01Å; S107-L111 PolarHBondContact O-N 3.39Å; S107-L111 VanDerWaalsContact O-N 3.08Å |
| 108 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 176.3 | -179.6 | 55.5 | 0 | 0 | 0 | 112.1 | I39 I53 I68 F70 V85 L87 V104 I105 Q106 A110 L111 V112 | I39-L108 HydrophobicContact CD1-CD2 3.6Å; I39-L108 HydrophobicContact CD1-CG 3.8Å; I53-L108 HydrophobicContact CD1-CD2 3.89Å; I53-L108 HydrophobicContact CG2-CD2 4.4Å; I68-L108 HydrophobicContact CD1-CD2 4.01Å; I68-L108 HydrophobicContact CG2-CD2 3.78Å; F70-L108 HydrophobicContact CE2-CD1 3.77Å; F70-L108 HydrophobicContact CE2-CD2 4.22Å; F70-L108 HydrophobicContact CE2-CG 4.46Å; F70-L108 HydrophobicContact CZ-CD1 3.88Å; F70-L108 HydrophobicContact CZ-CD2 4.24Å; F70-L108 HydrophobicContact CZ-CG 4.29Å; V85-L108 HydrophobicContact CG1-CD1 4.29Å; V85-L108 HydrophobicContact CG2-CD1 4.08Å; L87-L108 HydrophobicContact CD1-CB 3.79Å; L87-L108 HydrophobicContact CD1-CD1 3.78Å; L87-L108 HydrophobicContact CD1-CG 4.22Å; L87-L108 HydrophobicContact CG-CD1 4.43Å; V104-L108 PolarHBondContact O-N 2.75Å; I105-L108 WeakPolarHBondContact O-CB 3.42Å; I105-L108 PolarHBondContact O-N 3.43Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.01Å; L108-A110 VanDerWaalsContact C-N 3.32Å; L108-A110 PolarHBondContact O-N 3.21Å; L108-L111 PolarHBondContact O-N 2.9Å; L108-V112 HydrophobicContact CD1-CG2 4.38Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 2.75Å |
| 109 | I | 95.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.9 | -67.7 | 163.4 | 0 | 0 | 0 | 110.4 | N21 F22 I39 I105 Q106 L111 V112 N113 | N21-I109 HydrophobicContact CB-CD1 3.84Å; N21-I109 HydrophobicContact CB-CG2 4.26Å; F22-I109 HydrophobicContact CB-CD1 4.44Å; I39-I109 HydrophobicContact CG1-CG1 4.47Å; I39-I109 HydrophobicContact CG2-CG1 4.05Å; I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.37Å; I105-I109 VanDerWaalsContact O-CG1 3.3Å; I105-I109 WeakPolarHBondContact O-CG1 3.2Å; I105-I109 PolarHBondContact O-N 2.87Å; Q106-I109 PolarHBondContact O-N 2.86Å; I109-L111 VanDerWaalsContact C-N 3.34Å; I109-L111 PolarHBondContact O-N 2.83Å; I109-V112 PolarHBondContact O-N 3.01Å; I109-N113 WeakPolarHBondContact O-CB 3.39Å; I109-N113 PolarHBondContact O-N 3.47Å; I109-N113 PolarHBondContact O-ND2 2.79Å |
| 110 | A | 95.2 | Very high | 95.3 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.4 | -46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q106 L108 V112 N113 D114 | Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 2.86Å; L108-A110 VanDerWaalsContact C-N 3.32Å; L108-A110 PolarHBondContact O-N 3.21Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.06Å; A110-N113 PolarHBondContact O-N 2.63Å; A110-D114 PolarHBondContact O-N 3.21Å |
| 111 | L | 95.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 176.8 | -178.2 | 64.1 | 0 | 0 | 0 | 112.8 | H76 N78 V85 L87 S107 L108 I109 D114 Q116 | H76-L111 PolarHBondContact CE1-O 3.07Å; H76-L111 VanDerWaalsContact CE1-O 3.3Å; H76-L111 PolarHBondContact NE2-O 2.91Å; N78-L111 HydrophobicContact CB-CD1 4.01Å; N78-L111 HydrophobicContact CB-CD2 4.04Å; N78-L111 HydrophobicContact CB-CG 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.66Å; L87-L111 HydrophobicContact CD2-CB 4.4Å; L87-L111 HydrophobicContact CD2-CD2 3.9Å; L87-L111 HydrophobicContact CG-CD2 4.32Å; S107-L111 PolarHBondContact O-N 3.39Å; S107-L111 VanDerWaalsContact O-N 3.08Å; L108-L111 PolarHBondContact O-N 2.9Å; I109-L111 VanDerWaalsContact C-N 3.34Å; I109-L111 PolarHBondContact O-N 2.83Å; L111-D114 CarbonylContact O-C 3.11Å; L111-Q116 HydrophobicContact CD1-CB 4.28Å; L111-Q116 HydrophobicContact CD1-CG 3.97Å |
| 112 | V | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 177.1 | 170 | 0 | 0 | 0 | 0 | 111.4 | P41 Y46 F70 I74 H76 I79 L108 I109 A110 | P41-V112 HydrophobicContact CB-CG1 4.33Å; P41-V112 HydrophobicContact CG-CG1 3.84Å; Y46-V112 HydrophobicContact CD2-CG1 4.13Å; Y46-V112 VanDerWaalsContact CD2-O 3.22Å; Y46-V112 WeakPolarHBondContact CD2-O 3.45Å; Y46-V112 WeakPolarHBondContact CE2-O 3.33Å; Y46-V112 HydrophobicContact CG-CG1 4.48Å; F70-V112 HydrophobicContact CE1-CG2 4.38Å; F70-V112 HydrophobicContact CZ-CG2 3.86Å; I74-V112 HydrophobicContact CD1-CG1 4.31Å; H76-V112 PolarHBondContact NE2-O 3.32Å; I79-V112 HydrophobicContact CD1-CG2 4.33Å; L108-V112 HydrophobicContact CD1-CG2 4.38Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 2.75Å; I109-V112 PolarHBondContact O-N 3.01Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.06Å |
| 113 | N | 92.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.8 | -38.6 | 179 | -75.9 | -28.1 | 0 | 0 | 0 | 112.2 | N43 I109 A110 P115 | N43-N113 HydrophobicContact CB-CB 4.46Å; I109-N113 WeakPolarHBondContact O-CB 3.39Å; I109-N113 PolarHBondContact O-N 3.47Å; I109-N113 PolarHBondContact O-ND2 2.79Å; A110-N113 PolarHBondContact O-N 2.63Å; N113-P115 WeakPolarHBondContact O-CD 3.28Å |
| 114 | D | 93.1 | Very high | 95.6 | Very high | 104 Ų | 104 | 49.7 Ų | 49.7 | 56% | 0.556 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -123.7 | 85 | -177.1 | -66.9 | -46.6 | 0 | 0 | 0 | 110.9 | A110 L111 | A110-D114 PolarHBondContact O-N 3.21Å; L111-D114 CarbonylContact O-C 3.11Å |
| 115 | P | 94.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.071 | 27% | 0.274 | C | S | . | . | trans | -59.4 | 141.4 | 178.2 | -17.2 | 22.1 | 0 | 0 | 0 | 113 | H76 P77 N113 P117 Y129 | H76-P115 WeakPolarHBondContact NE2-CG 3.42Å; P77-P115 HydrophobicContact CG-CB 3.51Å; P77-P115 HydrophobicContact CG-CG 4.5Å; N113-P115 WeakPolarHBondContact O-CD 3.28Å; P115-P117 WeakPolarHBondContact O-CD 3.31Å; P115-Y129 HydrophobicContact CB-CE1 4.2Å; P115-Y129 HydrophobicContact CB-CE2 4.04Å; P115-Y129 WeakPolarHBondContact CD-OH 3.39Å; P115-Y129 HydrophobicContact CG-CE2 3.73Å; P115-Y129 PolarHBondContact O-OH 3.44Å | ||
| 116 | Q | 95.4 | Very high | 95.7 | Very high | 77 Ų | 77 | 50 Ų | 50 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | trans | -105.6 | 88.6 | -177.6 | -70.6 | -177.6 | -31.3 | 0 | 0 | 111.2 | N78 L111 E118 H119 | N78-Q116 PolarHBondContact ND2-O 3.13Å; N78-Q116 PolarHBondContact OD1-N 3.46Å; L111-Q116 HydrophobicContact CD1-CB 4.28Å; L111-Q116 HydrophobicContact CD1-CG 3.97Å; Q116-E118 VanDerWaalsContact C-OE2 3.28Å; Q116-E118 WeakPolarHBondContact CB-OE1 3.4Å; Q116-E118 PolarHBondContact O-N 3.39Å; Q116-H119 PolarHBondContact O-N 2.85Å | ||
| 117 | P | 94.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17 | -174.6 | 28.2 | -36.3 | 0 | 0 | 0 | 114.6 | P115 H119 P120 A126 Y129 S130 | P115-P117 WeakPolarHBondContact O-CD 3.31Å; P117-H119 VanDerWaalsContact C-N 3.32Å; P117-P120 WeakPolarHBondContact O-CD 3.36Å; P117-A126 HydrophobicContact CB-CB 4.15Å; P117-Y129 HydrophobicContact CB-CD1 3.98Å; P117-Y129 HydrophobicContact CB-CE1 4.42Å; P117-Y129 HydrophobicContact CG-CD1 3.96Å; P117-Y129 HydrophobicContact CG-CE1 3.97Å; P117-S130 WeakPolarHBondContact CB-OG 3.18Å |
| 118 | E | 94.8 | Very high | 95.9 | Very high | 112 Ų | 112 | 48.8 Ų | 48.8 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21.4 | 177.2 | 67.8 | -78.9 | -176.3 | 0 | 0 | 113.6 | Q116 P120 | Q116-E118 VanDerWaalsContact C-OE2 3.28Å; Q116-E118 WeakPolarHBondContact CB-OE1 3.4Å; Q116-E118 PolarHBondContact O-N 3.39Å; E118-P120 VanDerWaalsContact C-CD 3.49Å |
| 119 | H | 93.6 | Very high | 95.9 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 63% | 0.625 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -130.9 | 59.5 | 179.6 | -58.5 | -41.9 | 0 | 0 | 0 | 111.9 | N78 Q116 P117 | N78-H119 PolarHBondContact ND2-O 3.36Å; Q116-H119 PolarHBondContact O-N 2.85Å; P117-H119 VanDerWaalsContact C-N 3.32Å |
| 120 | P | 96.3 | Very high | 96 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | trans | -86.1 | 150.3 | -172.6 | 37.2 | -34 | 0 | 0 | 0 | 112 | P77 P117 E118 A126 | P77-P120 HydrophobicContact CB-CB 4.37Å; P117-P120 WeakPolarHBondContact O-CD 3.36Å; E118-P120 VanDerWaalsContact C-CD 3.49Å; P120-A126 HydrophobicContact CB-CB 3.48Å; P120-A126 VanDerWaalsContact CB-CB 3.48Å; P120-A126 HydrophobicContact CG-CB 3.74Å | ||
| 121 | L | 97 | Very high | 96.1 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 38% | 0.377 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -87 | -23.1 | 161 | -69.7 | -176.8 | 0 | 0 | 0 | 111.5 | P77 N78 D80 Q84 | P77-L121 PolarHBondContact O-N 3.37Å; N78-L121 WeakPolarHBondContact O-CD1 3.46Å; D80-L121 HydrophobicContact CB-CB 4.35Å; D80-L121 HydrophobicContact CB-CD1 4.36Å; Q84-L121 WeakPolarHBondContact O-CD1 3.46Å |
| 122 | R | 97.7 | Very high | 96.1 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | trans | -122.8 | 91.5 | 179 | -69.7 | -168.4 | 60.2 | 179.7 | -2.6 | 110.1 | P77 I79 D124 L125 A126 | P77-R122 PolarHBondContact O-N 2.94Å; I79-R122 VanDerWaalsContact O-CD 3.31Å; I79-R122 WeakPolarHBondContact O-CD 3.49Å; R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 WeakPolarHBondContact CB-OD1 3.35Å; R122-D124 IonicContact CZ-OD2 2.78Å; R122-D124 IonicContact NE-OD1 3.63Å; R122-D124 IonicContact NE-OD2 3.59Å; R122-D124 IonicContact NH2-OD2 3.52Å; R122-D124 PolarHBondContact NH2-OD2 3.26Å; R122-D124 PolarHBondContact O-N 3.31Å; R122-L125 HydrophobicContact CB-CB 4.11Å; R122-L125 HydrophobicContact CB-CD1 4.32Å; R122-L125 HydrophobicContact CB-CG 4.01Å; R122-L125 PolarHBondContact O-N 3.48Å; R122-A126 PolarHBondContact O-N 2.85Å | ||
| 123 | A | 97.4 | Very high | 96.1 | Very high | 69 Ų | 69 | 66 Ų | 66 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.3 | -33.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L125 A126 E127 | A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.44Å; A123-A126 PolarHBondContact O-N 3.41Å; A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 2.99Å |
| 124 | D | 96.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 172.9 | 59.9 | -44.1 | 0 | 0 | 0 | 111.8 | R122 E128 | R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 WeakPolarHBondContact CB-OD1 3.35Å; R122-D124 IonicContact CZ-OD2 2.78Å; R122-D124 IonicContact NE-OD1 3.63Å; R122-D124 IonicContact NE-OD2 3.59Å; R122-D124 IonicContact NH2-OD2 3.52Å; R122-D124 PolarHBondContact NH2-OD2 3.26Å; R122-D124 PolarHBondContact O-N 3.31Å; D124-E128 PolarHBondContact O-N 3.44Å; D124-E128 VanDerWaalsContact O-N 3.07Å |
| 125 | L | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.5 | -35.8 | 179.6 | -64.1 | -159.2 | 0 | 0 | 0 | 112.5 | Y75 P77 R122 A123 E128 Y129 F136 | Y75-L125 HydrophobicContact CD1-CD1 3.99Å; Y75-L125 HydrophobicContact CD1-CD2 4.34Å; Y75-L125 HydrophobicContact CD2-CD1 4.23Å; Y75-L125 HydrophobicContact CD2-CD2 4.39Å; Y75-L125 HydrophobicContact CE1-CD1 4.05Å; Y75-L125 HydrophobicContact CE1-CD2 3.58Å; Y75-L125 HydrophobicContact CE1-CG 4.38Å; Y75-L125 HydrophobicContact CE2-CD1 4.27Å; Y75-L125 HydrophobicContact CE2-CD2 3.62Å; Y75-L125 HydrophobicContact CG-CD1 4.1Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.33Å; P77-L125 HydrophobicContact CB-CB 4.06Å; R122-L125 HydrophobicContact CB-CB 4.11Å; R122-L125 HydrophobicContact CB-CD1 4.32Å; R122-L125 HydrophobicContact CB-CG 4.01Å; R122-L125 PolarHBondContact O-N 3.48Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.44Å; L125-E128 PolarHBondContact O-N 2.74Å; L125-Y129 WeakPolarHBondContact O-CB 3.4Å; L125-Y129 PolarHBondContact O-N 2.91Å; L125-F136 HydrophobicContact CB-CE2 4.26Å |
| 126 | A | 97.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P77 P117 P120 R122 A123 Y129 S130 | P77-A126 HydrophobicContact CB-CB 3.97Å; P117-A126 HydrophobicContact CB-CB 4.15Å; P120-A126 HydrophobicContact CB-CB 3.48Å; P120-A126 VanDerWaalsContact CB-CB 3.48Å; P120-A126 HydrophobicContact CG-CB 3.74Å; R122-A126 PolarHBondContact O-N 2.85Å; A123-A126 PolarHBondContact O-N 3.41Å; A126-Y129 PolarHBondContact O-N 3.22Å; A126-S130 WeakPolarHBondContact O-CB 3.46Å; A126-S130 PolarHBondContact O-N 3Å; A126-S130 PolarHBondContact O-OG 3.29Å |
| 127 | E | 97.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 72.4 Ų | 72.4 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.6 | -176.9 | 174.4 | -172.2 | 0 | 0 | 111 | A123 Y129 S130 K131 | A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 2.99Å; E127-Y129 PolarHBondContact O-N 3.49Å; E127-S130 PolarHBondContact O-N 2.99Å; E127-K131 HydrophobicContact CG-CD 3.78Å; E127-K131 HydrophobicContact CG-CG 4.32Å; E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 3.35Å; E127-K131 WeakPolarHBondContact OE1-CE 2.93Å; E127-K131 IonicContact OE1-NZ 2.79Å; E127-K131 PolarHBondContact OE1-NZ 3.36Å |
| 128 | E | 97.9 | Very high | 97 | Very high | 24 Ų | 24 | 76.6 Ų | 76.6 | 11% | 0.112 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.8 | -171.2 | 176.8 | -118.7 | 0 | 0 | 111.6 | Y75 D124 L125 S130 K131 D132 K135 F136 N139 | Y75-E128 PolarHBondContact OH-OE2 3.35Å; D124-E128 PolarHBondContact O-N 3.44Å; D124-E128 VanDerWaalsContact O-N 3.07Å; L125-E128 PolarHBondContact O-N 2.74Å; E128-S130 PolarHBondContact O-N 2.63Å; E128-K131 PolarHBondContact O-N 2.77Å; E128-D132 CarbonylContact O-C 3.58Å; E128-D132 WeakPolarHBondContact O-CA 3.44Å; E128-D132 PolarHBondContact O-N 3.28Å; E128-D132 VanDerWaalsContact O-O 3.14Å; E128-K135 VanDerWaalsContact OE1-CD 3.23Å; E128-K135 WeakPolarHBondContact OE1-CD 3.26Å; E128-K135 WeakPolarHBondContact OE1-CE 3.42Å; E128-K135 WeakPolarHBondContact OE1-CG 3.35Å; E128-K135 IonicContact OE1-NZ 3.87Å; E128-K135 PolarHBondContact OE1-NZ 3.44Å; E128-F136 HydrophobicContact CG-CB 4.16Å; E128-N139 PolarHBondContact OE1-ND2 3.11Å; E128-N139 VanDerWaalsContact OE1-ND2 3.11Å; E128-N139 PolarHBondContact OE2-ND2 3.36Å; E128-N139 VanDerWaalsContact OE2-ND2 3.11Å |
| 129 | Y | 97.2 | Very high | 97.2 | Very high | 15 Ų | 15 | 73.3 Ų | 73.3 | 6% | 0.059 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.3 | -35.2 | 177.3 | 179.1 | -102.4 | 0 | 0 | 0 | 113 | P115 P117 L125 A126 E127 R133 F136 F137 | P115-Y129 HydrophobicContact CB-CE1 4.2Å; P115-Y129 HydrophobicContact CB-CE2 4.04Å; P115-Y129 WeakPolarHBondContact CD-OH 3.39Å; P115-Y129 HydrophobicContact CG-CE2 3.73Å; P115-Y129 PolarHBondContact O-OH 3.44Å; P117-Y129 HydrophobicContact CB-CD1 3.98Å; P117-Y129 HydrophobicContact CB-CE1 4.42Å; P117-Y129 HydrophobicContact CG-CD1 3.96Å; P117-Y129 HydrophobicContact CG-CE1 3.97Å; L125-Y129 WeakPolarHBondContact O-CB 3.4Å; L125-Y129 PolarHBondContact O-N 2.91Å; A126-Y129 PolarHBondContact O-N 3.22Å; E127-Y129 PolarHBondContact O-N 3.49Å; Y129-R133 VanDerWaalsContact CZ-NH2 3.28Å; Y129-R133 WeakPolarHBondContact O-CD 3.43Å; Y129-R133 PolarHBondContact OH-NH1 2.94Å; Y129-R133 VanDerWaalsContact OH-NH1 3.12Å; Y129-R133 PolarHBondContact OH-NH2 3.4Å; Y129-F136 AromaticContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD2 4.3Å; Y129-F136 AromaticContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE2 4.36Å; Y129-F136 AromaticContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CZ 4.05Å; Y129-F136 HydrophobicContact CE2-CD1 4.33Å; Y129-F136 HydrophobicContact CE2-CE1 4.16Å; Y129-F136 HydrophobicContact CG-CG 4.49Å; Y129-F137 HydrophobicContact CE2-CE2 4.19Å |
| 130 | S | 96.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -83 | -39.1 | -178.4 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | P117 A126 E127 E128 | P117-S130 WeakPolarHBondContact CB-OG 3.18Å; A126-S130 WeakPolarHBondContact O-CB 3.46Å; A126-S130 PolarHBondContact O-N 3Å; A126-S130 PolarHBondContact O-OG 3.29Å; E127-S130 PolarHBondContact O-N 2.99Å; E128-S130 PolarHBondContact O-N 2.63Å |
| 131 | K | 97.1 | Very high | 97.5 | Very high | 157 Ų | 157 | 67.6 Ų | 67.6 | 68% | 0.683 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -91.3 | -36.6 | -175.5 | -67.1 | -174.5 | 178.4 | 178 | 0 | 113.6 | E127 E128 | E127-K131 HydrophobicContact CG-CD 3.78Å; E127-K131 HydrophobicContact CG-CG 4.32Å; E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 3.35Å; E127-K131 WeakPolarHBondContact OE1-CE 2.93Å; E127-K131 IonicContact OE1-NZ 2.79Å; E127-K131 PolarHBondContact OE1-NZ 3.36Å; E128-K131 PolarHBondContact O-N 2.77Å |
| 132 | D | 96.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 69.2 Ų | 69.2 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | trans | -140.7 | 75.3 | -178.2 | -168.8 | -13.1 | 0 | 0 | 0 | 111.3 | E128 K134 K135 F136 | E128-D132 CarbonylContact O-C 3.58Å; E128-D132 WeakPolarHBondContact O-CA 3.44Å; E128-D132 PolarHBondContact O-N 3.28Å; E128-D132 VanDerWaalsContact O-O 3.14Å; D132-K134 PolarHBondContact O-N 3.09Å; D132-K134 PolarHBondContact OD1-N 3.02Å; D132-K135 HydrophobicContact CB-CB 4.04Å; D132-K135 PolarHBondContact O-N 2.88Å; D132-K135 WeakPolarHBondContact OD1-CB 3.44Å; D132-K135 PolarHBondContact OD1-N 2.8Å; D132-K135 VanDerWaalsContact OD2-CB 3.27Å; D132-K135 WeakPolarHBondContact OD2-CB 3.36Å; D132-F136 PolarHBondContact O-N 2.87Å | ||
| 133 | R | 95.6 | Very high | 97.5 | Very high | 116 Ų | 116 | 70.1 Ų | 70.1 | 44% | 0.438 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.2 | -36.9 | 177.9 | -166.8 | 70.2 | 160.5 | -142.6 | 5.5 | 112.9 | Y129 F137 | Y129-R133 VanDerWaalsContact CZ-NH2 3.28Å; Y129-R133 WeakPolarHBondContact O-CD 3.43Å; Y129-R133 PolarHBondContact OH-NH1 2.94Å; Y129-R133 VanDerWaalsContact OH-NH1 3.12Å; Y129-R133 PolarHBondContact OH-NH2 3.4Å; R133-F137 HydrophobicContact CG-CD2 3.95Å; R133-F137 HydrophobicContact CG-CE2 3.94Å; R133-F137 WeakPolarHBondContact O-CB 3.48Å; R133-F137 WeakPolarHBondContact O-CD2 3.35Å; R133-F137 PolarHBondContact O-N 2.93Å |
| 134 | K | 97.5 | Very high | 97.6 | Very high | 181 Ų | 181 | 66.9 Ų | 66.9 | 79% | 0.787 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.9 | -45.7 | -178 | -70.1 | -177.5 | -179.7 | 177.9 | 0 | 110.7 | D132 F137 K138 | D132-K134 PolarHBondContact O-N 3.09Å; D132-K134 PolarHBondContact OD1-N 3.02Å; K134-F137 PolarHBondContact O-N 2.79Å; K134-K138 PolarHBondContact O-N 3.37Å |
| 135 | K | 97.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 68.8 Ų | 68.8 | 47% | 0.47 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.8 | -174.6 | -178.9 | 178.1 | -124.7 | 0 | 111.4 | E128 D132 F137 K138 N139 | E128-K135 VanDerWaalsContact OE1-CD 3.23Å; E128-K135 WeakPolarHBondContact OE1-CD 3.26Å; E128-K135 WeakPolarHBondContact OE1-CE 3.42Å; E128-K135 WeakPolarHBondContact OE1-CG 3.35Å; E128-K135 IonicContact OE1-NZ 3.87Å; E128-K135 PolarHBondContact OE1-NZ 3.44Å; D132-K135 HydrophobicContact CB-CB 4.04Å; D132-K135 PolarHBondContact O-N 2.88Å; D132-K135 WeakPolarHBondContact OD1-CB 3.44Å; D132-K135 PolarHBondContact OD1-N 2.8Å; D132-K135 VanDerWaalsContact OD2-CB 3.27Å; D132-K135 WeakPolarHBondContact OD2-CB 3.36Å; K135-F137 PolarHBondContact O-N 3.29Å; K135-K138 PolarHBondContact O-N 3.33Å; K135-N139 WeakPolarHBondContact O-CB 3.24Å; K135-N139 VanDerWaalsContact O-CG 3.22Å; K135-N139 PolarHBondContact O-N 3.16Å; K135-N139 PolarHBondContact O-ND2 2.83Å |
| 136 | F | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.6 | -51 | 174.8 | 179.2 | -86.6 | 0 | 0 | 0 | 111.6 | P45 Y46 Y75 L125 E128 Y129 D132 K138 N139 A140 | P45-F136 HydrophobicContact CG-CE1 4.19Å; Y46-F136 WeakPolarHBondContact OH-CZ 3.35Å; Y75-F136 HydrophobicContact CD1-CD2 4.31Å; Y75-F136 AromaticContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CZ 4.19Å; Y75-F136 AromaticContact CE1-CD2 3.81Å; Y75-F136 HydrophobicContact CE1-CD2 3.81Å; Y75-F136 AromaticContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CZ 4.49Å; L125-F136 HydrophobicContact CB-CE2 4.26Å; E128-F136 HydrophobicContact CG-CB 4.16Å; Y129-F136 AromaticContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD2 4.3Å; Y129-F136 AromaticContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE2 4.36Å; Y129-F136 AromaticContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CZ 4.05Å; Y129-F136 HydrophobicContact CE2-CD1 4.33Å; Y129-F136 HydrophobicContact CE2-CE1 4.16Å; Y129-F136 HydrophobicContact CG-CG 4.49Å; D132-F136 PolarHBondContact O-N 2.87Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 3.4Å; F136-N139 PolarHBondContact O-N 3.49Å; F136-A140 HydrophobicContact CD1-CB 4.35Å; F136-A140 HydrophobicContact CE1-CB 4.02Å; F136-A140 HydrophobicContact CZ-CB 4.39Å; F136-A140 VanDerWaalsContact O-CB 3.25Å; F136-A140 WeakPolarHBondContact O-CB 3.1Å; F136-A140 PolarHBondContact O-N 3.38Å |
| 137 | F | 97.7 | Very high | 97.5 | Very high | 62 Ų | 62 | 79.5 Ų | 79.5 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | -177.8 | -91.2 | -121.4 | 0 | 0 | 0 | 111.5 | P44 P45 Y129 R133 K134 K135 A140 E141 | P44-F137 HydrophobicContact CB-CD1 4.46Å; P44-F137 HydrophobicContact CB-CE1 4.29Å; P44-F137 WeakPolarHBondContact O-CE1 3.32Å; P45-F137 HydrophobicContact CB-CB 4.44Å; P45-F137 HydrophobicContact CB-CD1 4.15Å; P45-F137 HydrophobicContact CB-CG 4.29Å; P45-F137 WeakPolarHBondContact CB-O 3.23Å; P45-F137 HydrophobicContact CG-CD1 4.43Å; P45-F137 HydrophobicContact CG-CG 4.43Å; Y129-F137 HydrophobicContact CE2-CE2 4.19Å; R133-F137 HydrophobicContact CG-CD2 3.95Å; R133-F137 HydrophobicContact CG-CE2 3.94Å; R133-F137 WeakPolarHBondContact O-CB 3.48Å; R133-F137 WeakPolarHBondContact O-CD2 3.35Å; R133-F137 PolarHBondContact O-N 2.93Å; K134-F137 PolarHBondContact O-N 2.79Å; K135-F137 PolarHBondContact O-N 3.29Å; F137-A140 PolarHBondContact O-N 3.24Å; F137-E141 VanDerWaalsContact O-CB 3.28Å; F137-E141 WeakPolarHBondContact O-CB 3.4Å; F137-E141 PolarHBondContact O-N 2.69Å |
| 138 | K | 98.1 | Very high | 97.5 | Very high | 126 Ų | 126 | 75.6 Ų | 75.6 | 55% | 0.548 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 175.3 | -178.1 | -176.6 | 172.9 | -175.7 | 0 | 111.6 | K134 K135 F136 A140 E141 E142 | K134-K138 PolarHBondContact O-N 3.37Å; K135-K138 PolarHBondContact O-N 3.33Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 3.4Å; K138-A140 PolarHBondContact O-N 3.35Å; K138-E141 PolarHBondContact O-N 2.89Å; K138-E142 WeakPolarHBondContact CE-OE1 3.3Å; K138-E142 WeakPolarHBondContact O-CG 3.34Å; K138-E142 PolarHBondContact O-N 3.09Å |
| 139 | N | 98.1 | Very high | 97.4 | Very high | 44 Ų | 44 | 77.5 Ų | 77.5 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | -179.7 | -68.3 | -16.1 | 0 | 0 | 0 | 111.3 | Y75 E128 K135 F136 E141 E142 F143 | Y75-N139 HydrophobicContact CE1-CB 3.94Å; E128-N139 PolarHBondContact OE1-ND2 3.11Å; E128-N139 VanDerWaalsContact OE1-ND2 3.11Å; E128-N139 PolarHBondContact OE2-ND2 3.36Å; E128-N139 VanDerWaalsContact OE2-ND2 3.11Å; K135-N139 WeakPolarHBondContact O-CB 3.24Å; K135-N139 VanDerWaalsContact O-CG 3.22Å; K135-N139 PolarHBondContact O-N 3.16Å; K135-N139 PolarHBondContact O-ND2 2.83Å; F136-N139 PolarHBondContact O-N 3.49Å; N139-E141 PolarHBondContact O-N 2.9Å; N139-E142 PolarHBondContact O-N 3.16Å; N139-F143 WeakPolarHBondContact O-CB 3.39Å; N139-F143 PolarHBondContact O-N 3.24Å |
| 140 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | P45 Y46 Y75 F136 F137 K138 T144 | P45-A140 HydrophobicContact CB-CB 3.63Å; P45-A140 HydrophobicContact CG-CB 3.38Å; Y46-A140 HydrophobicContact CE1-CB 4.12Å; Y75-A140 HydrophobicContact CD1-CB 3.82Å; Y75-A140 HydrophobicContact CG-CB 4.46Å; F136-A140 HydrophobicContact CD1-CB 4.35Å; F136-A140 HydrophobicContact CE1-CB 4.02Å; F136-A140 HydrophobicContact CZ-CB 4.39Å; F136-A140 VanDerWaalsContact O-CB 3.25Å; F136-A140 WeakPolarHBondContact O-CB 3.1Å; F136-A140 PolarHBondContact O-N 3.38Å; F137-A140 PolarHBondContact O-N 3.24Å; K138-A140 PolarHBondContact O-N 3.35Å; A140-T144 VanDerWaalsContact O-CB 3.27Å; A140-T144 WeakPolarHBondContact O-CB 3.34Å; A140-T144 PolarHBondContact O-N 3.47Å; A140-T144 PolarHBondContact O-OG1 2.96Å |
| 141 | E | 97.8 | Very high | 97.1 | Very high | 60 Ų | 60 | 86.4 Ų | 86.4 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.7 | -47.2 | 176 | -171.6 | -172.6 | 145.2 | 0 | 0 | 111.3 | P45 K48 F137 K138 N139 F143 T144 K145 | P45-E141 HydrophobicContact CB-CB 4.34Å; K48-E141 HydrophobicContact CG-CG 4.14Å; F137-E141 VanDerWaalsContact O-CB 3.28Å; F137-E141 WeakPolarHBondContact O-CB 3.4Å; F137-E141 PolarHBondContact O-N 2.69Å; K138-E141 PolarHBondContact O-N 2.89Å; N139-E141 PolarHBondContact O-N 2.9Å; E141-F143 VanDerWaalsContact C-N 3.3Å; E141-F143 PolarHBondContact O-N 3.38Å; E141-T144 PolarHBondContact O-N 3.48Å; E141-K145 HydrophobicContact CG-CD 4.41Å; E141-K145 WeakPolarHBondContact O-CG 3.32Å; E141-K145 PolarHBondContact O-N 3.23Å; E141-K145 VanDerWaalsContact OE1-CE 3.31Å; E141-K145 WeakPolarHBondContact OE1-CE 3.28Å; E141-K145 IonicContact OE1-NZ 2.63Å; E141-K145 PolarHBondContact OE1-NZ 3.4Å |
| 142 | E | 98.1 | Very high | 96.7 | Very high | 107 Ų | 107 | 80.7 Ų | 80.7 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 175.9 | -73.7 | 179.3 | -170.3 | 0 | 0 | 111.4 | K138 N139 K145 K146 | K138-E142 WeakPolarHBondContact CE-OE1 3.3Å; K138-E142 WeakPolarHBondContact O-CG 3.34Å; K138-E142 PolarHBondContact O-N 3.09Å; N139-E142 PolarHBondContact O-N 3.16Å; E142-K145 PolarHBondContact O-N 3.16Å; E142-K146 WeakPolarHBondContact O-CB 3.2Å; E142-K146 PolarHBondContact O-N 2.66Å |
| 143 | F | 98.3 | Very high | 95.6 | Very high | 53 Ų | 53 | 84 Ų | 84 | 23% | 0.232 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.3 | -162.9 | -84.4 | 0 | 0 | 0 | 111.6 | K73 Y75 N139 E141 K146 H147 | K73-F143 HydrophobicContact CB-CE1 3.74Å; K73-F143 HydrophobicContact CB-CZ 3.95Å; Y75-F143 HydrophobicContact CD2-CB 4.48Å; Y75-F143 HydrophobicContact CD2-CD2 4.09Å; Y75-F143 HydrophobicContact CD2-CG 4.26Å; Y75-F143 HydrophobicContact CG-CB 4.39Å; Y75-F143 HydrophobicContact CG-CG 4.42Å; N139-F143 WeakPolarHBondContact O-CB 3.39Å; N139-F143 PolarHBondContact O-N 3.24Å; E141-F143 VanDerWaalsContact C-N 3.3Å; E141-F143 PolarHBondContact O-N 3.38Å; F143-K146 PolarHBondContact O-N 2.87Å; F143-H147 HydrophobicContact CD1-CB 4.27Å; F143-H147 AromaticContact CD1-CD2 3.82Å; F143-H147 AromaticContact CD2-CD2 3.74Å; F143-H147 HydrophobicContact CE1-CB 4.01Å; F143-H147 AromaticContact CE1-CD2 3.61Å; F143-H147 AromaticContact CE2-CD2 3.54Å; F143-H147 AromaticContact CE2-NE2 3.91Å; F143-H147 AromaticContact CG-CD2 3.89Å; F143-H147 AromaticContact CZ-CD2 3.47Å; F143-H147 VanDerWaalsContact CZ-CD2 3.47Å; F143-H147 WeakPolarHBondContact CZ-CD2 3.29Å; F143-H147 WeakPolarHBondContact O-CB 3.29Å; F143-H147 PolarHBondContact O-N 3.12Å |
| 144 | T | 98 | Very high | 93.9 | Very high | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.006 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | K48 F51 A140 E141 K146 G148 | K48-T144 HydrophobicContact CB-CG2 4.46Å; F51-T144 HydrophobicContact CE2-CG2 4.37Å; F51-T144 HydrophobicContact CZ-CG2 3.78Å; A140-T144 VanDerWaalsContact O-CB 3.27Å; A140-T144 WeakPolarHBondContact O-CB 3.34Å; A140-T144 PolarHBondContact O-N 3.47Å; A140-T144 PolarHBondContact O-OG1 2.96Å; E141-T144 PolarHBondContact O-N 3.48Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 2.98Å; T144-G148 WeakPolarHBondContact O-CA 3.29Å; T144-G148 PolarHBondContact O-N 2.77Å |
| 145 | K | 96.7 | Very high | 93.8 | Very high | 131 Ų | 131 | 82.8 Ų | 82.8 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.9 | -34.8 | 175.7 | -75.1 | 169.4 | 170.9 | 168.7 | 0 | 112.8 | K48 E141 E142 | K48-K145 HydrophobicContact CB-CG 4.26Å; E141-K145 HydrophobicContact CG-CD 4.41Å; E141-K145 WeakPolarHBondContact O-CG 3.32Å; E141-K145 PolarHBondContact O-N 3.23Å; E141-K145 VanDerWaalsContact OE1-CE 3.31Å; E141-K145 WeakPolarHBondContact OE1-CE 3.28Å; E141-K145 IonicContact OE1-NZ 2.63Å; E141-K145 PolarHBondContact OE1-NZ 3.4Å; E142-K145 PolarHBondContact O-N 3.16Å |
| 146 | K | 97.7 | Very high | 93.6 | Very high | 163 Ų | 163 | 81.4 Ų | 81.4 | 71% | 0.709 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -81.7 | -38.2 | -176.8 | -174.5 | 176.7 | 177 | -178.6 | 0 | 113.6 | E142 F143 T144 | E142-K146 WeakPolarHBondContact O-CB 3.2Å; E142-K146 PolarHBondContact O-N 2.66Å; F143-K146 PolarHBondContact O-N 2.87Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 2.98Å |
| 147 | H | 97.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 85.9 Ų | 85.9 | 32% | 0.315 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -119.6 | -20.1 | -169.2 | -64.3 | -63.1 | 0 | 0 | 0 | 114.5 | T72 K73 F143 | T72-H147 WeakPolarHBondContact CG2-O 3.44Å; K73-H147 HydrophobicContact CB-CB 4.26Å; F143-H147 HydrophobicContact CD1-CB 4.27Å; F143-H147 AromaticContact CD1-CD2 3.82Å; F143-H147 AromaticContact CD2-CD2 3.74Å; F143-H147 HydrophobicContact CE1-CB 4.01Å; F143-H147 AromaticContact CE1-CD2 3.61Å; F143-H147 AromaticContact CE2-CD2 3.54Å; F143-H147 AromaticContact CE2-NE2 3.91Å; F143-H147 AromaticContact CG-CD2 3.89Å; F143-H147 AromaticContact CZ-CD2 3.47Å; F143-H147 VanDerWaalsContact CZ-CD2 3.47Å; F143-H147 WeakPolarHBondContact CZ-CD2 3.29Å; F143-H147 WeakPolarHBondContact O-CB 3.29Å; F143-H147 PolarHBondContact O-N 3.12Å |
| 148 | G | 96.6 | Very high | 93 | Very high | 21 Ų | 21 | 87.4 Ų | 87.4 | 22% | 0.216 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -63.1 | 150.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T144 | T144-G148 WeakPolarHBondContact O-CA 3.29Å; T144-G148 PolarHBondContact O-N 2.77Å |
| 149 | E | 96.5 | Very high | 92.7 | Very high | 63 Ų | 63 | 84.9 Ų | 84.9 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 157.9 | 170 | -68.1 | -160.2 | -155.8 | 0 | 0 | 110.9 | L38 A50 R52 T72 R151 | L38-E149 HydrophobicContact CD1-CB 3.97Å; L38-E149 HydrophobicContact CD1-CG 4.31Å; A50-E149 PolarHBondContact N-O 3.31Å; A50-E149 PolarHBondContact O-N 2.77Å; R52-E149 VanDerWaalsContact CB-OE1 3.28Å; R52-E149 WeakPolarHBondContact CB-OE1 3.39Å; R52-E149 IonicContact CZ-OE1 3.59Å; R52-E149 IonicContact CZ-OE2 3.86Å; R52-E149 IonicContact NE-OE1 3.81Å; R52-E149 PolarHBondContact NE-OE1 3.09Å; R52-E149 IonicContact NE-OE2 3.73Å; R52-E149 IonicContact NH2-OE1 2.77Å; R52-E149 IonicContact NH2-OE2 2.97Å; R52-E149 PolarHBondContact NH2-OE2 2.87Å; T72-E149 HydrophobicContact CG2-CG 4.38Å; E149-R151 PolarHBondContact O-N 3.18Å |
| 150 | K | 94.1 | Very high | 92.4 | Very high | 199 Ų | 199 | 87.7 Ų | 87.7 | 87% | 0.865 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 130.7 | 172.7 | -68.2 | -176.4 | 179.6 | -179.9 | 0 | 108.9 | ||
| 151 | R | 93 | Very high | 92 | Very high | 82 Ų | 82 | 93.9 Ų | 93.9 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 138.4 | 171.8 | -64.2 | 177.3 | 72.4 | 91.8 | -13.2 | 108.7 | V40 P41 D47 G49 A50 E149 V153 | V40-R151 VanDerWaalsContact CG1-NH2 3.33Å; P41-R151 PolarHBondContact O-NH1 3.16Å; P41-R151 PolarHBondContact O-NH2 3.2Å; D47-R151 VanDerWaalsContact O-CD 3.28Å; D47-R151 WeakPolarHBondContact O-CD 3.32Å; D47-R151 PolarHBondContact O-NE 3.31Å; D47-R151 PolarHBondContact O-NH1 3.47Å; G49-R151 WeakPolarHBondContact O-CG 3.45Å; G49-R151 PolarHBondContact O-NH1 3.15Å; A50-R151 HydrophobicContact CB-CG 4.3Å; E149-R151 PolarHBondContact O-N 3.18Å; R151-V153 PolarHBondContact O-N 3.48Å |
| 152 | P | 88 | Confident | 91.5 | Very high | 37 Ų | 37 | 96.5 Ų | 96.5 | 24% | 0.24 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 127.2 | 169.7 | -18.6 | 31 | 0 | 0 | 0 | 108.4 | R23 L38 V40 D154 | R23-P152 HydrophobicContact CB-CG 3.94Å; R23-P152 HydrophobicContact CG-CG 4.3Å; L38-P152 HydrophobicContact CD2-CG 3.8Å; V40-P152 HydrophobicContact CG2-CG 4.18Å; P152-D154 PolarHBondContact O-N 3.15Å |
| 153 | V | 73.7 | Confident | 91 | Very high | 141 Ų | 141 | 95.7 Ų | 95.7 | 86% | 0.855 | 47% | 0.469 | S | S | * | . | trans | -74.8 | 114.8 | 160.4 | -81.1 | 0 | 0 | 0 | 0 | 105.1 | R151 | R151-V153 PolarHBondContact O-N 3.48Š| ||
| 154 | D | 61.6 | Low | 90.3 | Very high | 189 Ų | 189 | 99.5 Ų | 99.5 | 100% | 1.011 | 49% | 0.49 | S | S | * | . | trans | -59 | 0 | 168 | -76 | -32.5 | 0 | 0 | 0 | 110.3 | R23 P152 | R23-D154 IonicContact CZ-OD1 2.69Å; R23-D154 IonicContact NE-OD1 2.7Å; R23-D154 IonicContact NH2-OD1 3.43Å; R23-D154 PolarHBondContact NH2-OD1 2.73Å; P152-D154 PolarHBondContact O-N 3.15Å |
Retrieved 154 of 154 residues in 1297.7 ms
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