| 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 | 33.6 | Very low | 57.3 | Low | 244 Ų | 244 | 134.4 Ų | 134.4 | 100% | 1.202 | 63% | 0.625 | S | S | * | * | 0 | 79.9 | 0 | -159.8 | 168.6 | 138.2 | 0 | 0 | 107.8 | T3 | M1-T3 PolarHBondContact O-N 3.3Š| |||
| 2 | Q | 40.4 | Very low | 57.9 | Low | 189 Ų | 189 | 124.3 Ų | 124.3 | 88% | 0.883 | 58% | 0.579 | S | S | * | * | trans | -70.1 | 120.7 | 174.2 | -82.3 | 177.3 | -5.2 | 0 | 0 | 107.1 | R4 | Q2-R4 PolarHBondContact O-N 3.06Š| ||
| 3 | T | 43 | Very low | 58.1 | Low | 130 Ų | 130 | 124.5 Ų | 124.5 | 80% | 0.798 | 58% | 0.58 | S | S | * | * | trans | -50.6 | 128.6 | 173.7 | 41.7 | 0 | 0 | 0 | 0 | 108 | M1 K5 | M1-T3 PolarHBondContact O-N 3.3Å; T3-K5 VanDerWaalsContact C-N 3.34Å; T3-K5 PolarHBondContact O-N 3.36Å | ||
| 4 | R | 50 | Low | 57.8 | Low | 239 Ų | 239 | 127 Ų | 127 | 90% | 0.902 | 59% | 0.588 | S | S | * | * | trans | -53.4 | 105.2 | 169.6 | -76.2 | -178.7 | 177.9 | -174.7 | 0.3 | 106 | Q2 H6 | Q2-R4 PolarHBondContact O-N 3.06Å; R4-H6 VanDerWaalsContact C-N 3.31Å; R4-H6 PolarHBondContact O-N 2.96Å | ||
| 5 | K | 58.1 | Low | 57.6 | Low | 99 Ų | 99 | 121.3 Ų | 121.3 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | trans | -59.5 | 102.2 | 172.8 | -171.1 | 173.1 | -179.3 | 174.1 | 0 | 105.3 | T3 W7 E118 | T3-K5 VanDerWaalsContact C-N 3.34Å; T3-K5 PolarHBondContact O-N 3.36Å; K5-W7 HydrophobicContact CD-CH2 4.23Å; K5-W7 HydrophobicContact CD-CZ2 4.44Å; K5-W7 HydrophobicContact CD-CZ3 4.39Å; K5-W7 PolarHBondContact O-N 2.83Å; K5-W7 VanDerWaalsContact O-N 3.12Å; K5-E118 IonicContact NZ-OE1 3.6Å; K5-E118 PolarHBondContact NZ-OE1 3.18Å; K5-E118 IonicContact NZ-OE2 3.45Å; K5-E118 PolarHBondContact NZ-OE2 3.49Å | ||
| 6 | H | 62.3 | Low | 57.6 | Low | 168 Ų | 168 | 119.9 Ų | 119.9 | 78% | 0.778 | 56% | 0.563 | S | S | * | * | trans | -74.4 | 106 | -179.2 | -164.6 | -72.2 | 0 | 0 | 0 | 106.4 | R4 N8 | R4-H6 VanDerWaalsContact C-N 3.31Å; R4-H6 PolarHBondContact O-N 2.96Å; H6-N8 PolarHBondContact O-N 3.21Å; H6-N8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | W | 67.8 | Low | 57.8 | Low | 25 Ų | 25 | 122.8 Ų | 122.8 | 10% | 0.095 | 57% | 0.568 | C | S | . | * | trans | -65.7 | 113.3 | 175.1 | -58.4 | 101.8 | 0 | 0 | 0 | 107.6 | K5 F9 F114 V115 R221 F246 | K5-W7 HydrophobicContact CD-CH2 4.23Å; K5-W7 HydrophobicContact CD-CZ2 4.44Å; K5-W7 HydrophobicContact CD-CZ3 4.39Å; K5-W7 PolarHBondContact O-N 2.83Å; K5-W7 VanDerWaalsContact O-N 3.12Å; W7-F9 HydrophobicContact CB-CE2 3.88Å; W7-F9 HydrophobicContact CB-CZ 4.12Å; W7-F9 VanDerWaalsContact O-CD2 3.29Å; W7-F9 WeakPolarHBondContact O-CD2 3.46Å; W7-F9 WeakPolarHBondContact O-CE2 3.39Å; W7-F9 PolarHBondContact O-N 3.28Å; W7-F114 HydrophobicContact CB-CD1 4.41Å; W7-F114 HydrophobicContact CB-CE1 3.94Å; W7-F114 HydrophobicContact CB-CE2 4.44Å; W7-F114 HydrophobicContact CB-CZ 3.95Å; W7-F114 HydrophobicContact CD2-CD1 4.46Å; W7-F114 HydrophobicContact CD2-CD2 4.49Å; W7-F114 HydrophobicContact CD2-CG 4.3Å; W7-F114 HydrophobicContact CE3-CB 3.4Å; W7-F114 VanDerWaalsContact CE3-CB 3.4Å; W7-F114 AromaticContact CE3-CD1 3.57Å; W7-F114 HydrophobicContact CE3-CD1 3.57Å; W7-F114 AromaticContact CE3-CD2 3.94Å; W7-F114 HydrophobicContact CE3-CD2 3.94Å; W7-F114 HydrophobicContact CE3-CE1 4.26Å; W7-F114 AromaticContact CE3-CG 3.37Å; W7-F114 HydrophobicContact CE3-CG 3.37Å; W7-F114 HydrophobicContact CH2-CB 4.3Å; W7-F114 HydrophobicContact CZ3-CB 3.23Å; W7-F114 HydrophobicContact CZ3-CD1 4.28Å; W7-F114 HydrophobicContact CZ3-CD2 4.44Å; W7-F114 AromaticContact CZ3-CG 3.79Å; W7-F114 HydrophobicContact CZ3-CG 3.79Å; W7-V115 HydrophobicContact CH2-CG2 4.1Å; W7-R221 HydrophobicContact CZ2-CB 4.02Å; W7-R221 HydrophobicContact CZ2-CG 4.08Å; W7-F246 AromaticContact CD1-CD1 3.85Å; W7-F246 AromaticContact CD1-CE1 3.93Å; W7-F246 HydrophobicContact CD2-CD1 4.36Å; W7-F246 AromaticContact CD2-CE1 3.71Å; W7-F246 HydrophobicContact CD2-CE1 3.71Å; W7-F246 AromaticContact CE2-CE1 3.72Å; W7-F246 HydrophobicContact CE3-CE1 4.29Å; W7-F246 AromaticContact CG-CD1 4Å; W7-F246 HydrophobicContact CG-CD1 4Å; W7-F246 AromaticContact CG-CE1 3.83Å; W7-F246 HydrophobicContact CG-CE1 3.83Å; W7-F246 HydrophobicContact CZ2-CE1 4.26Å; W7-F246 AromaticContact NE1-CE1 3.86Å | ||
| 8 | N | 75.3 | Confident | 58.5 | Low | 79 Ų | 79 | 120.3 Ų | 120.3 | 42% | 0.422 | 56% | 0.56 | S | S | . | * | trans | -91 | 91.2 | 179.8 | -172.2 | -18.5 | 0 | 0 | 0 | 108.6 | H6 E10 K11 L12 | H6-N8 PolarHBondContact O-N 3.21Å; H6-N8 VanDerWaalsContact O-N 3.12Å; N8-E10 VanDerWaalsContact C-N 3.28Å; N8-E10 PolarHBondContact O-N 3.29Å; N8-E10 WeakPolarHBondContact OD1-CB 3.44Å; N8-E10 PolarHBondContact OD1-N 3.28Å; N8-K11 HydrophobicContact CB-CB 3.73Å; N8-K11 VanDerWaalsContact CG-CB 3.42Å; N8-K11 WeakPolarHBondContact O-CB 3.35Å; N8-K11 PolarHBondContact O-N 3.43Å; N8-K11 VanDerWaalsContact O-N 3.13Å; N8-K11 PolarHBondContact OD1-N 2.8Å; N8-L12 PolarHBondContact O-N 2.89Å | ||
| 9 | F | 73.2 | Confident | 60.1 | Low | 48 Ų | 48 | 114.3 Ų | 114.3 | 21% | 0.211 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 178.5 | -64.2 | -93 | 0 | 0 | 0 | 111.5 | W7 K11 L12 E13 L45 F114 F246 D249 | W7-F9 HydrophobicContact CB-CE2 3.88Å; W7-F9 HydrophobicContact CB-CZ 4.12Å; W7-F9 VanDerWaalsContact O-CD2 3.29Å; W7-F9 WeakPolarHBondContact O-CD2 3.46Å; W7-F9 WeakPolarHBondContact O-CE2 3.39Å; W7-F9 PolarHBondContact O-N 3.28Å; F9-K11 VanDerWaalsContact C-N 3.34Å; F9-K11 PolarHBondContact O-N 2.81Å; F9-L12 PolarHBondContact O-N 3.03Å; F9-E13 PolarHBondContact O-N 2.85Å; F9-L45 HydrophobicContact CD1-CD2 3.71Å; F9-L45 HydrophobicContact CE1-CD2 4.16Å; F9-F114 HydrophobicContact CD1-CE2 4.13Å; F9-F114 AromaticContact CD1-CZ 3.54Å; F9-F114 HydrophobicContact CD1-CZ 3.54Å; F9-F114 HydrophobicContact CD2-CZ 4.43Å; F9-F114 AromaticContact CE1-CE2 3.75Å; F9-F114 HydrophobicContact CE1-CE2 3.75Å; F9-F114 AromaticContact CE1-CZ 3.55Å; F9-F114 HydrophobicContact CE1-CZ 3.55Å; F9-F114 HydrophobicContact CE2-CZ 4.44Å; F9-F114 AromaticContact CG-CZ 3.97Å; F9-F114 HydrophobicContact CG-CZ 3.97Å; F9-F114 HydrophobicContact CZ-CE2 4.26Å; F9-F114 AromaticContact CZ-CZ 4Å; F9-F114 HydrophobicContact CZ-CZ 4Å; F9-F246 HydrophobicContact CE1-CB 4.35Å; F9-F246 HydrophobicContact CE1-CG 4.36Å; F9-F246 HydrophobicContact CZ-CB 3.92Å; F9-F246 HydrophobicContact CZ-CD1 4.07Å; F9-F246 HydrophobicContact CZ-CG 4.09Å; F9-D249 HydrophobicContact CE1-CB 4.06Å; F9-D249 WeakPolarHBondContact CE1-OD2 2.91Å; F9-D249 HydrophobicContact CZ-CB 4.03Å |
| 10 | E | 64.4 | Low | 61.9 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -35.6 | 175 | -60.3 | -177 | -169.4 | 0 | 0 | 112.6 | N8 L12 E13 K14 | N8-E10 VanDerWaalsContact C-N 3.28Å; N8-E10 PolarHBondContact O-N 3.29Å; N8-E10 WeakPolarHBondContact OD1-CB 3.44Å; N8-E10 PolarHBondContact OD1-N 3.28Å; E10-L12 VanDerWaalsContact C-N 3.35Å; E10-E13 PolarHBondContact O-N 3.09Å; E10-K14 WeakPolarHBondContact O-CB 3.02Å; E10-K14 VanDerWaalsContact O-CG 3.31Å; E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.4Å; E10-K14 IonicContact OE2-NZ 3.84Å |
| 11 | K | 61.9 | Low | 63.6 | Low | 136 Ų | 136 | 103.5 Ų | 103.5 | 59% | 0.591 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.6 | -40.2 | 176.9 | -174.2 | -177.1 | 179.7 | -171.7 | 0 | 110.6 | N8 F9 E13 K14 T15 | N8-K11 HydrophobicContact CB-CB 3.73Å; N8-K11 VanDerWaalsContact CG-CB 3.42Å; N8-K11 WeakPolarHBondContact O-CB 3.35Å; N8-K11 PolarHBondContact O-N 3.43Å; N8-K11 VanDerWaalsContact O-N 3.13Å; N8-K11 PolarHBondContact OD1-N 2.8Å; F9-K11 VanDerWaalsContact C-N 3.34Å; F9-K11 PolarHBondContact O-N 2.81Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 PolarHBondContact O-N 2.73Å; K11-K14 PolarHBondContact O-N 3.4Å; K11-T15 HydrophobicContact CG-CG2 4.44Å; K11-T15 PolarHBondContact O-N 3.14Å; K11-T15 PolarHBondContact O-OG1 2.99Å |
| 12 | L | 65.2 | Low | 66.7 | Low | 13 Ų | 13 | 91.9 Ų | 91.9 | 7% | 0.068 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 174.1 | -85.5 | -170.1 | 0 | 0 | 0 | 111.4 | N8 F9 E10 K14 T15 L45 L113 F114 R117 | N8-L12 PolarHBondContact O-N 2.89Å; F9-L12 PolarHBondContact O-N 3.03Å; E10-L12 VanDerWaalsContact C-N 3.35Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 2.82Å; L12-T15 PolarHBondContact O-OG1 2.67Å; L12-L45 HydrophobicContact CD1-CB 4.42Å; L12-L113 HydrophobicContact CD1-CB 4.31Å; L12-F114 HydrophobicContact CB-CE1 4.35Å; L12-F114 HydrophobicContact CD1-CB 4.46Å; L12-F114 HydrophobicContact CD1-CD1 3.24Å; L12-F114 HydrophobicContact CD1-CD2 3.68Å; L12-F114 HydrophobicContact CD1-CE1 3.14Å; L12-F114 HydrophobicContact CD1-CE2 3.58Å; L12-F114 HydrophobicContact CD1-CG 3.51Å; L12-F114 HydrophobicContact CD1-CZ 3.31Å; L12-F114 HydrophobicContact CD2-CD1 4.02Å; L12-F114 HydrophobicContact CD2-CE1 4.44Å; L12-F114 HydrophobicContact CG-CD1 3.43Å; L12-F114 VanDerWaalsContact CG-CD1 3.43Å; L12-F114 HydrophobicContact CG-CE1 3.38Å; L12-F114 HydrophobicContact CG-CG 4.14Å; L12-F114 HydrophobicContact CG-CZ 4.04Å; L12-R117 PolarHBondContact O-NH1 3.45Å |
| 13 | E | 59.6 | Low | 69.5 | Low | 127 Ų | 127 | 82.9 Ų | 82.9 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63 | -34.4 | 176.4 | -69.1 | 177.6 | 175.1 | 0 | 0 | 112.5 | F9 E10 K11 | F9-E13 PolarHBondContact O-N 2.85Å; E10-E13 PolarHBondContact O-N 3.09Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 PolarHBondContact O-N 2.73Å |
| 14 | K | 54.4 | Low | 72.1 | Confident | 160 Ų | 160 | 76.7 Ų | 76.7 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -91.1 | -19.2 | -175.6 | -70.5 | 175.9 | -175.4 | 168 | 0 | 115.8 | E10 K11 L12 | E10-K14 WeakPolarHBondContact O-CB 3.02Å; E10-K14 VanDerWaalsContact O-CG 3.31Å; E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.4Å; E10-K14 IonicContact OE2-NZ 3.84Å; K11-K14 PolarHBondContact O-N 3.4Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 2.82Å |
| 15 | T | 55.2 | Low | 74.4 | Confident | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -59 | 146.1 | 176.6 | 17.8 | 0 | 0 | 0 | 0 | 111 | K11 L12 R17 R117 | K11-T15 HydrophobicContact CG-CG2 4.44Å; K11-T15 PolarHBondContact O-N 3.14Å; K11-T15 PolarHBondContact O-OG1 2.99Å; L12-T15 PolarHBondContact O-OG1 2.67Å; T15-R17 PolarHBondContact O-N 3.07Å; T15-R117 PolarHBondContact OG1-NH1 2.96Å |
| 16 | D | 57.4 | Low | 76.2 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | trans | -37.8 | 120.4 | -168.3 | -173.7 | -0 | 0 | 0 | 0 | 112.9 | N18 D19 | D16-N18 PolarHBondContact O-N 2.82Å; D16-N18 PolarHBondContact OD1-N 2.92Å; D16-N18 VanDerWaalsContact OD1-N 3.09Å; D16-D19 PolarHBondContact O-N 2.97Å; D16-D19 VanDerWaalsContact O-N 3.09Å | ||
| 17 | R | 60.8 | Low | 77.8 | Confident | 170 Ų | 170 | 53.7 Ų | 53.7 | 64% | 0.642 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.6 | -179.7 | -63.9 | -170.7 | -157.3 | -129 | 10.1 | 112 | T15 D48 N49 Y99 | T15-R17 PolarHBondContact O-N 3.07Å; R17-D48 IonicContact NH1-OD2 3.68Å; R17-D48 PolarHBondContact NH1-OD2 3.33Å; R17-N49 PolarHBondContact O-ND2 3.48Å; R17-Y99 WeakPolarHBondContact O-CE1 3.37Å; R17-Y99 PolarHBondContact O-OH 3.12Å |
| 18 | N | 70.9 | Confident | 79.1 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 23.1 | -177.9 | -65.6 | -31.6 | 0 | 0 | 0 | 114.9 | D16 Y99 R100 | D16-N18 PolarHBondContact O-N 2.82Å; D16-N18 PolarHBondContact OD1-N 2.92Å; D16-N18 VanDerWaalsContact OD1-N 3.09Å; N18-Y99 WeakPolarHBondContact O-CA 3.49Å; N18-R100 PolarHBondContact O-N 2.67Å |
| 19 | D | 88.3 | Confident | 80 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -76 | -61.1 | -178.7 | -173.9 | 27.8 | 0 | 0 | 0 | 113.8 | D16 R100 W101 | D16-D19 PolarHBondContact O-N 2.97Å; D16-D19 VanDerWaalsContact O-N 3.09Å; D19-R100 WeakPolarHBondContact O-CB 3.43Å; D19-R100 PolarHBondContact O-N 3.16Å; D19-R100 VanDerWaalsContact O-N 3.09Å; D19-R100 IonicContact OD1-CZ 3.66Å; D19-R100 VanDerWaalsContact OD1-CZ 3.24Å; D19-R100 IonicContact OD1-NE 3.26Å; D19-R100 PolarHBondContact OD1-NE 3.05Å; D19-R100 IonicContact OD1-NH2 2.61Å; D19-R100 PolarHBondContact OD1-NH2 3.24Å; D19-R100 IonicContact OD2-NH2 3.81Å; D19-W101 PolarHBondContact O-N 3.39Å |
| 20 | V | 96.5 | Very high | 81 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.1 | -174.6 | 61.9 | 0 | 0 | 0 | 0 | 112 | I22 N49 Y99 W101 C103 L120 | V20-I22 HydrophobicContact CG1-CD1 4.09Å; V20-I22 HydrophobicContact CG1-CG1 4.14Å; V20-I22 HydrophobicContact CG2-CD1 4.48Å; V20-I22 HydrophobicContact CG2-CG1 3.81Å; V20-N49 WeakPolarHBondContact O-CB 3.34Å; V20-N49 PolarHBondContact O-ND2 3.18Å; V20-Y99 WeakPolarHBondContact O-CD1 3.49Å; V20-Y99 WeakPolarHBondContact O-CE1 3.43Å; V20-W101 WeakPolarHBondContact CA-O 3.49Å; V20-W101 HydrophobicContact CB-CB 4.09Å; V20-W101 HydrophobicContact CG2-CB 3.89Å; V20-C103 HydrophobicContact CG2-CB 4.28Å; V20-L120 HydrophobicContact CB-CD1 4.12Å; V20-L120 HydrophobicContact CG2-CD1 3.86Å |
| 21 | F | 97.7 | Very high | 82.5 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.4 | 168.5 | -172.6 | -98.1 | 0 | 0 | 0 | 108.6 | T23 Y51 A93 Y94 T97 Y99 W101 F102 C103 | F21-T23 HydrophobicContact CD1-CG2 3.8Å; F21-T23 HydrophobicContact CE1-CG2 3.31Å; F21-T23 HydrophobicContact CZ-CG2 4.25Å; F21-Y51 AromaticContact CD2-CD2 3.67Å; F21-Y51 HydrophobicContact CD2-CD2 3.67Å; F21-Y51 AromaticContact CD2-CE2 3.55Å; F21-Y51 HydrophobicContact CD2-CE2 3.55Å; F21-Y51 HydrophobicContact CE1-CD2 4.48Å; F21-Y51 HydrophobicContact CE2-CD1 4.08Å; F21-Y51 AromaticContact CE2-CD2 3.23Å; F21-Y51 HydrophobicContact CE2-CD2 3.23Å; F21-Y51 HydrophobicContact CE2-CE1 4.1Å; F21-Y51 AromaticContact CE2-CE2 3.26Å; F21-Y51 HydrophobicContact CE2-CE2 3.26Å; F21-Y51 AromaticContact CE2-CG 3.68Å; F21-Y51 HydrophobicContact CE2-CG 3.68Å; F21-Y51 AromaticContact CE2-CZ 3.72Å; F21-Y51 HydrophobicContact CG-CD2 4.46Å; F21-Y51 HydrophobicContact CZ-CD1 4.24Å; F21-Y51 AromaticContact CZ-CD2 3.7Å; F21-Y51 HydrophobicContact CZ-CD2 3.7Å; F21-Y51 HydrophobicContact CZ-CE2 4.18Å; F21-Y51 AromaticContact CZ-CG 3.75Å; F21-Y51 HydrophobicContact CZ-CG 3.75Å; F21-A93 HydrophobicContact CE1-CB 4.28Å; F21-A93 HydrophobicContact CZ-CB 3.96Å; F21-Y94 HydrophobicContact CB-CD2 3.55Å; F21-Y94 HydrophobicContact CB-CE2 3.93Å; F21-Y94 AromaticContact CD1-CD2 3.95Å; F21-Y94 HydrophobicContact CD1-CD2 3.95Å; F21-Y94 HydrophobicContact CD1-CG 4.39Å; F21-Y94 AromaticContact CG-CD2 3.88Å; F21-Y94 HydrophobicContact CG-CD2 3.88Å; F21-T97 HydrophobicContact CD2-CG2 4.03Å; F21-T97 HydrophobicContact CE2-CG2 3.96Å; F21-Y99 HydrophobicContact CB-CD1 4.31Å; F21-Y99 HydrophobicContact CB-CD2 3.62Å; F21-Y99 HydrophobicContact CB-CE2 4.26Å; F21-Y99 HydrophobicContact CB-CG 3.69Å; F21-Y99 AromaticContact CD2-CD2 3.61Å; F21-Y99 HydrophobicContact CD2-CD2 3.61Å; F21-Y99 AromaticContact CD2-CE2 3.6Å; F21-Y99 HydrophobicContact CD2-CE2 3.6Å; F21-Y99 HydrophobicContact CE2-CE2 4.5Å; F21-Y99 HydrophobicContact CG-CD2 4.06Å; F21-Y99 HydrophobicContact CG-CE2 4.42Å; F21-W101 PolarHBondContact N-O 3.05Å; F21-F102 AromaticContact CD1-CD2 3.96Å; F21-F102 HydrophobicContact CD1-CD2 3.96Å; F21-F102 HydrophobicContact CD1-CE2 4.34Å; F21-F102 CarbonylContact O-C 3.58Å; F21-F102 WeakPolarHBondContact O-CA 3.38Å; F21-C103 PolarHBondContact O-N 3.3Å |
| 22 | I | 98.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.2 | -177.7 | -59.9 | 174.5 | 0 | 0 | 0 | 108.4 | V20 W42 N49 I50 Y51 C103 F105 L113 L116 | V20-I22 HydrophobicContact CG1-CD1 4.09Å; V20-I22 HydrophobicContact CG1-CG1 4.14Å; V20-I22 HydrophobicContact CG2-CD1 4.48Å; V20-I22 HydrophobicContact CG2-CG1 3.81Å; I22-W42 HydrophobicContact CG2-CH2 4.34Å; I22-W42 HydrophobicContact CG2-CZ3 4.34Å; I22-N49 WeakPolarHBondContact CB-O 3.27Å; I22-N49 PolarHBondContact N-O 2.64Å; I22-I50 HydrophobicContact CB-CG1 4.14Å; I22-I50 HydrophobicContact CD1-CG1 4.3Å; I22-I50 HydrophobicContact CG2-CG1 4.32Å; I22-I50 WeakPolarHBondContact O-CA 3.4Å; I22-Y51 PolarHBondContact O-N 3.22Å; I22-C103 WeakPolarHBondContact CA-O 3.45Å; I22-C103 HydrophobicContact CG1-CB 4.42Å; I22-F105 HydrophobicContact CG2-CD2 3.77Å; I22-F105 HydrophobicContact CG2-CE2 4.06Å; I22-L113 HydrophobicContact CD1-CD2 3.46Å; I22-L113 VanDerWaalsContact CD1-CD2 3.46Å; I22-L116 HydrophobicContact CD1-CD2 4.13Å |
| 23 | T | 98.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.7 | 171.5 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | F21 Y51 V53 E90 F102 C103 F105 | F21-T23 HydrophobicContact CD1-CG2 3.8Å; F21-T23 HydrophobicContact CE1-CG2 3.31Å; F21-T23 HydrophobicContact CZ-CG2 4.25Å; T23-Y51 CarbonylContact C-O 3.44Å; T23-Y51 VanDerWaalsContact CA-O 3.29Å; T23-Y51 WeakPolarHBondContact CA-O 3.27Å; T23-V53 HydrophobicContact CG2-CG2 4.27Å; T23-E90 HydrophobicContact CG2-CB 4Å; T23-E90 HydrophobicContact CG2-CG 3.98Å; T23-E90 PolarHBondContact OG1-OE2 3.23Å; T23-F102 HydrophobicContact CG2-CE2 3.82Å; T23-C103 PolarHBondContact N-O 3.14Å; T23-C103 PolarHBondContact OG1-O 3.23Å; T23-F105 PolarHBondContact O-N 3.27Å |
| 24 | V | 98.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 110.3 | 170 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | I38 W42 I50 Y51 F52 V53 F105 D107 | V24-I38 HydrophobicContact CG1-CD1 3.7Å; V24-W42 HydrophobicContact CG2-CH2 3.48Å; V24-W42 VanDerWaalsContact CG2-CH2 3.48Å; V24-W42 HydrophobicContact CG2-CZ2 3.81Å; V24-I50 HydrophobicContact CG2-CG2 4.02Å; V24-Y51 PolarHBondContact N-O 3.14Å; V24-F52 HydrophobicContact CB-CD1 3.68Å; V24-F52 HydrophobicContact CB-CE1 3.88Å; V24-F52 HydrophobicContact CB-CG 4.5Å; V24-F52 HydrophobicContact CG1-CD1 3.82Å; V24-F52 HydrophobicContact CG1-CE1 3.89Å; V24-F52 HydrophobicContact CG2-CD1 4.39Å; V24-F52 HydrophobicContact CG2-CE1 4.14Å; V24-F52 WeakPolarHBondContact O-CA 3.4Å; V24-V53 PolarHBondContact O-N 3.29Å; V24-F105 CarbonylContact C-O 3.56Å; V24-F105 VanDerWaalsContact CA-O 3.32Å; V24-F105 WeakPolarHBondContact CA-O 3.45Å; V24-D107 HydrophobicContact CG1-CB 4.08Å |
| 25 | K | 97.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 44 Ų | 44 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.6 | 177.2 | -169.7 | 174.9 | 66.7 | -142.1 | 0 | 110 | L83 K86 E90 H104 F105 D106 D107 D183 | K25-L83 HydrophobicContact CD-CD2 4.47Å; K25-K86 HydrophobicContact CD-CB 3.89Å; K25-K86 HydrophobicContact CD-CD 4.34Å; K25-K86 HydrophobicContact CG-CB 4.03Å; K25-K86 HydrophobicContact CG-CD 3.97Å; K25-E90 WeakPolarHBondContact CB-OE1 3.22Å; K25-H104 PolarHBondContact NZ-CE1 3.47Å; K25-H104 PolarHBondContact NZ-NE2 2.94Å; K25-H104 VanDerWaalsContact NZ-NE2 3.14Å; K25-F105 PolarHBondContact N-O 2.87Å; K25-D106 WeakPolarHBondContact CE-OD1 3.49Å; K25-D106 IonicContact NZ-OD1 3.95Å; K25-D106 PolarHBondContact NZ-OD1 3.32Å; K25-D107 WeakPolarHBondContact O-CB 3.45Å; K25-D107 PolarHBondContact O-N 3.48Å; K25-D183 IonicContact NZ-OD2 2.82Å; K25-D183 PolarHBondContact NZ-OD2 3.11Å |
| 26 | T | 96.3 | Very high | 91 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | -143.8 | -173.7 | -177 | -165.7 | 0 | 0 | 0 | 0 | 112.4 | V35 V53 K86 D107 | T26-V35 HydrophobicContact CG2-CG2 3.81Å; T26-V35 VanDerWaalsContact OG1-CG2 3.25Å; T26-V35 WeakPolarHBondContact OG1-CG2 3.32Å; T26-V53 PolarHBondContact N-O 3.1Å; T26-K86 PolarHBondContact O-NZ 3.27Å; T26-D107 WeakPolarHBondContact CA-OD2 3.15Å; T26-D107 VanDerWaalsContact CB-OD2 3.3Å; T26-D107 WeakPolarHBondContact CB-OD2 3.43Å; T26-D107 PolarHBondContact OG1-OD2 2.93Å | ||
| 27 | S | 95.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | trans | -142.6 | 158.5 | 172.2 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | I29 F30 H31 D55 | S27-I29 PolarHBondContact O-N 2.63Å; S27-I29 VanDerWaalsContact O-N 3.1Å; S27-F30 PolarHBondContact O-N 2.93Å; S27-H31 PolarHBondContact O-CD2 2.92Å; S27-H31 VanDerWaalsContact O-CD2 3.24Å; S27-D55 WeakPolarHBondContact CA-OD2 3.49Å; S27-D55 WeakPolarHBondContact CB-OD2 3.34Å; S27-D55 PolarHBondContact OG-OD1 2.74Å; S27-D55 PolarHBondContact OG-OD2 3.45Å | ||
| 28 | W | 95.2 | Very high | 94.6 | Very high | 153 Ų | 153 | 34.6 Ų | 34.6 | 58% | 0.58 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -53.2 | -36.2 | -175.2 | 77.8 | -93.9 | 0 | 0 | 0 | 113.7 | F30 H31 T56 | W28-F30 PolarHBondContact O-N 3.45Å; W28-F30 VanDerWaalsContact O-N 3.12Å; W28-H31 WeakPolarHBondContact CA-NE2 3.37Å; W28-H31 WeakPolarHBondContact O-CB 3.33Å; W28-H31 PolarHBondContact O-N 3.34Å; W28-T56 HydrophobicContact CB-CG2 4.28Å; W28-T56 WeakPolarHBondContact CB-OG1 3.29Å |
| 29 | I | 93.9 | Very high | 95.9 | Very high | 86 Ų | 86 | 32.1 Ų | 32.1 | 44% | 0.441 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -61.8 | -20.4 | 177.8 | 59.9 | 172.6 | 0 | 0 | 0 | 113.1 | S27 | S27-I29 PolarHBondContact O-N 2.63Å; S27-I29 VanDerWaalsContact O-N 3.1Å |
| 30 | F | 94.6 | Very high | 96.2 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 13% | 0.132 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -104.4 | -3.5 | -177.4 | -58.8 | -53.2 | 0 | 0 | 0 | 114.2 | S27 W28 N32 T33 R34 V35 H78 D107 | S27-F30 PolarHBondContact O-N 2.93Å; W28-F30 PolarHBondContact O-N 3.45Å; W28-F30 VanDerWaalsContact O-N 3.12Å; F30-N32 VanDerWaalsContact C-N 3.29Å; F30-N32 PolarHBondContact O-N 3.35Å; F30-T33 WeakPolarHBondContact CA-OG1 3.12Å; F30-T33 PolarHBondContact O-N 3.23Å; F30-T33 VanDerWaalsContact O-N 3.09Å; F30-T33 PolarHBondContact O-OG1 3.08Å; F30-R34 HydrophobicContact CB-CB 4.13Å; F30-R34 HydrophobicContact CB-CG 4.14Å; F30-R34 HydrophobicContact CD1-CG 3.95Å; F30-R34 HydrophobicContact CG-CG 4.19Å; F30-R34 PolarHBondContact O-N 3.26Å; F30-V35 PolarHBondContact O-N 3.19Å; F30-V35 VanDerWaalsContact O-N 3.08Å; F30-H78 AromaticContact CE2-NE2 3.99Å; F30-D107 WeakPolarHBondContact CB-OD2 3.19Å; F30-D107 WeakPolarHBondContact CD2-OD2 3.44Å |
| 31 | H | 96.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 5% | 0.046 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -54.7 | -44.9 | 179.8 | -71.3 | -168.5 | 0 | 0 | 0 | 112 | S27 W28 R36 T54 D58 L61 | S27-H31 PolarHBondContact O-CD2 2.92Å; S27-H31 VanDerWaalsContact O-CD2 3.24Å; W28-H31 WeakPolarHBondContact CA-NE2 3.37Å; W28-H31 WeakPolarHBondContact O-CB 3.33Å; W28-H31 PolarHBondContact O-N 3.34Å; H31-R36 PolarHBondContact O-N 2.92Å; H31-T54 PolarHBondContact NE2-OG1 2.75Å; H31-D58 IonicContact CE1-OD2 3.9Å; H31-D58 IonicContact CG-OD2 3.02Å; H31-D58 IonicContact ND1-OD2 2.66Å; H31-D58 PolarHBondContact ND1-OD2 3.26Å; H31-L61 HydrophobicContact CB-CD2 4.34Å |
| 32 | N | 94.2 | Very high | 96.1 | Very high | 118 Ų | 118 | 35.7 Ų | 35.7 | 63% | 0.631 | 17% | 0.165 | S | C | * | . | I | π-helix | trans | -90 | 3.2 | -178 | -69.6 | -48.5 | 0 | 0 | 0 | 114.5 | F30 R36 | F30-N32 VanDerWaalsContact C-N 3.29Å; F30-N32 PolarHBondContact O-N 3.35Å; N32-R36 PolarHBondContact O-NE 2.78Å |
| 33 | T | 93.8 | Very high | 96 | Very high | 70 Ų | 70 | 36.4 Ų | 36.4 | 43% | 0.429 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -123.1 | -81.1 | -179 | 56 | 0 | 0 | 0 | 0 | 111.4 | F30 C37 | F30-T33 WeakPolarHBondContact CA-OG1 3.12Å; F30-T33 PolarHBondContact O-N 3.23Å; F30-T33 VanDerWaalsContact O-N 3.09Å; F30-T33 PolarHBondContact O-OG1 3.08Å; T33-C37 WeakPolarHBondContact O-CB 3.42Å; T33-C37 PolarHBondContact O-N 3.34Å; T33-C37 VanDerWaalsContact O-N 3.11Å |
| 34 | R | 95 | Very high | 95.7 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -71.7 | -46.5 | -175 | -53.7 | -177.5 | -179.5 | -178.5 | -1.5 | 111.9 | F30 R36 C37 I38 D107 Y230 | F30-R34 HydrophobicContact CB-CB 4.13Å; F30-R34 HydrophobicContact CB-CG 4.14Å; F30-R34 HydrophobicContact CD1-CG 3.95Å; F30-R34 HydrophobicContact CG-CG 4.19Å; F30-R34 PolarHBondContact O-N 3.26Å; R34-R36 PolarHBondContact O-N 3.48Å; R34-C37 WeakPolarHBondContact O-CA 3.49Å; R34-C37 VanDerWaalsContact O-CB 3.25Å; R34-C37 WeakPolarHBondContact O-CB 3.31Å; R34-C37 PolarHBondContact O-N 3.25Å; R34-I38 PolarHBondContact O-N 3.27Å; R34-D107 HydrophobicContact CB-CB 4.16Å; R34-D107 WeakPolarHBondContact CB-O 3.12Å; R34-D107 WeakPolarHBondContact CD-OD1 3.49Å; R34-D107 IonicContact CZ-OD1 3.04Å; R34-D107 IonicContact NE-OD1 3.8Å; R34-D107 IonicContact NH1-OD1 2.79Å; R34-D107 PolarHBondContact NH1-OD1 3.46Å; R34-Y230 HydrophobicContact CG-CD1 4.18Å; R34-Y230 HydrophobicContact CG-CD2 4.1Å; R34-Y230 HydrophobicContact CG-CE1 3.97Å; R34-Y230 HydrophobicContact CG-CE2 3.92Å; R34-Y230 HydrophobicContact CG-CG 4.23Å |
| 35 | V | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -61.6 | -46.4 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | T26 F30 C37 I38 L39 F52 L61 | T26-V35 HydrophobicContact CG2-CG2 3.81Å; T26-V35 VanDerWaalsContact OG1-CG2 3.25Å; T26-V35 WeakPolarHBondContact OG1-CG2 3.32Å; F30-V35 PolarHBondContact O-N 3.19Å; F30-V35 VanDerWaalsContact O-N 3.08Å; V35-C37 PolarHBondContact O-N 2.92Å; V35-I38 WeakPolarHBondContact O-CA 3.42Å; V35-I38 WeakPolarHBondContact O-CB 3.47Å; V35-I38 PolarHBondContact O-N 3.32Å; V35-L39 HydrophobicContact CG1-CD1 4.3Å; V35-L39 HydrophobicContact CG1-CG 4.31Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.3Å; V35-F52 HydrophobicContact CG1-CD1 3.93Å; V35-F52 HydrophobicContact CG1-CE1 3.8Å; V35-F52 HydrophobicContact CG1-CZ 4.27Å; V35-F52 HydrophobicContact CG2-CD1 4.34Å; V35-L61 HydrophobicContact CG1-CD1 3.69Å; V35-L61 HydrophobicContact CG1-CD2 3.93Å; V35-L61 HydrophobicContact CG1-CG 4.48Å |
| 36 | R | 95.6 | Very high | 95.2 | Very high | 113 Ų | 113 | 41.2 Ų | 41.2 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -52.4 | -42.9 | 172.6 | -174.9 | -178.3 | 70.1 | -175.1 | -0.9 | 112.2 | H31 N32 R34 I38 L39 E40 | H31-R36 PolarHBondContact O-N 2.92Å; N32-R36 PolarHBondContact O-NE 2.78Å; R34-R36 PolarHBondContact O-N 3.48Å; R36-I38 VanDerWaalsContact C-N 3.32Å; R36-I38 PolarHBondContact O-N 3.34Å; R36-L39 PolarHBondContact O-N 3.12Å; R36-E40 HydrophobicContact CG-CG 4.49Å; R36-E40 VanDerWaalsContact CG-OE1 3.31Å; R36-E40 WeakPolarHBondContact CG-OE1 3.03Å; R36-E40 IonicContact NE-OE1 2.83Å; R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 3.07Å |
| 37 | C | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 178.4 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | T33 R34 V35 T41 C236 F238 | T33-C37 WeakPolarHBondContact O-CB 3.42Å; T33-C37 PolarHBondContact O-N 3.34Å; T33-C37 VanDerWaalsContact O-N 3.11Å; R34-C37 WeakPolarHBondContact O-CA 3.49Å; R34-C37 VanDerWaalsContact O-CB 3.25Å; R34-C37 WeakPolarHBondContact O-CB 3.31Å; R34-C37 PolarHBondContact O-N 3.25Å; V35-C37 PolarHBondContact O-N 2.92Å; C37-T41 WeakPolarHBondContact O-CG2 3.41Å; C37-T41 PolarHBondContact O-N 3.07Å; C37-T41 PolarHBondContact O-OG1 3.23Å; C37-C236 WeakPolarHBondContact CA-SG 3.3Å; C37-C236 HydrophobicContact CB-CB 3.64Å; C37-C236 WeakPolarHBondContact CB-SG 3Å; C37-C236 WeakPolarHBondContact SG-CA 3.2Å; C37-C236 WeakPolarHBondContact SG-CB 3.46Å; C37-C236 CovalentContact SG-SG 2.03Å; C37-C236 PolarHBondContact SG-SG 3.29Å; C37-F238 HydrophobicContact CB-CD2 4.15Å; C37-F238 VanDerWaalsContact SG-CB 3.53Å; C37-F238 WeakPolarHBondContact SG-CD2 3.05Å; C37-F238 VanDerWaalsContact SG-CG 3.54Å |
| 38 | I | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -48.8 | 173.4 | -65 | 174.3 | 0 | 0 | 0 | 110.9 | V24 R34 V35 R36 E40 T41 W42 F43 F52 D107 F238 | V24-I38 HydrophobicContact CG1-CD1 3.7Å; R34-I38 PolarHBondContact O-N 3.27Å; V35-I38 WeakPolarHBondContact O-CA 3.42Å; V35-I38 WeakPolarHBondContact O-CB 3.47Å; V35-I38 PolarHBondContact O-N 3.32Å; R36-I38 VanDerWaalsContact C-N 3.32Å; R36-I38 PolarHBondContact O-N 3.34Å; I38-E40 PolarHBondContact O-N 2.78Å; I38-T41 CarbonylContact O-C 3.5Å; I38-T41 PolarHBondContact O-N 2.96Å; I38-T41 PolarHBondContact O-OG1 3.05Å; I38-W42 HydrophobicContact CD1-CZ2 4.08Å; I38-W42 HydrophobicContact CG1-CZ2 4.25Å; I38-W42 HydrophobicContact CG2-CD2 4.1Å; I38-W42 VanDerWaalsContact CG2-CE2 3.46Å; I38-W42 HydrophobicContact CG2-CH2 4.31Å; I38-W42 HydrophobicContact CG2-CZ2 3.58Å; I38-W42 PolarHBondContact O-N 3.14Å; I38-F43 HydrophobicContact CG2-CB 4.06Å; I38-F43 VanDerWaalsContact O-CB 3.25Å; I38-F43 WeakPolarHBondContact O-CB 3.29Å; I38-F43 PolarHBondContact O-N 2.87Å; I38-F52 HydrophobicContact CB-CE1 4.36Å; I38-F52 HydrophobicContact CB-CZ 4.47Å; I38-F52 HydrophobicContact CD1-CE1 4.36Å; I38-F52 HydrophobicContact CG2-CE1 3.98Å; I38-F52 HydrophobicContact CG2-CZ 3.81Å; I38-D107 HydrophobicContact CD1-CB 4.47Å; I38-D107 WeakPolarHBondContact CD1-O 3.29Å; I38-F238 HydrophobicContact CD1-CE2 4.44Å; I38-F238 HydrophobicContact CG1-CD2 4.06Å; I38-F238 HydrophobicContact CG1-CE2 3.7Å |
| 39 | L | 97.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57 | -35.4 | 178.6 | -65.9 | 178.8 | 0 | 0 | 0 | 113 | V35 R36 T41 F43 K44 F52 L61 K64 T65 | V35-L39 HydrophobicContact CG1-CD1 4.3Å; V35-L39 HydrophobicContact CG1-CG 4.31Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.3Å; R36-L39 PolarHBondContact O-N 3.12Å; L39-T41 VanDerWaalsContact C-N 3.3Å; L39-F43 HydrophobicContact CD2-CB 4.36Å; L39-F43 HydrophobicContact CD2-CD1 3.7Å; L39-F43 HydrophobicContact CD2-CD2 4.07Å; L39-F43 HydrophobicContact CD2-CE1 3.96Å; L39-F43 HydrophobicContact CD2-CE2 4.31Å; L39-F43 HydrophobicContact CD2-CG 3.77Å; L39-F43 HydrophobicContact CD2-CZ 4.27Å; L39-K44 WeakPolarHBondContact O-CE 3.39Å; L39-F52 HydrophobicContact CD2-CE2 3.81Å; L39-F52 HydrophobicContact CD2-CZ 3.84Å; L39-L61 HydrophobicContact CD1-CD1 3.65Å; L39-K64 HydrophobicContact CD1-CD 4.45Å; L39-T65 HydrophobicContact CD2-CG2 3.63Å |
| 40 | E | 94.8 | Very high | 95.2 | Very high | 81 Ų | 81 | 34.3 Ų | 34.3 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -13.5 | -179.6 | -72.8 | 171.4 | -175.4 | 0 | 0 | 113.5 | R36 I38 K44 L251 | R36-E40 HydrophobicContact CG-CG 4.49Å; R36-E40 VanDerWaalsContact CG-OE1 3.31Å; R36-E40 WeakPolarHBondContact CG-OE1 3.03Å; R36-E40 IonicContact NE-OE1 2.83Å; R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 3.07Å; I38-E40 PolarHBondContact O-N 2.78Å; E40-K44 PolarHBondContact O-NZ 3.33Å; E40-L251 WeakPolarHBondContact O-CD1 3.48Å; E40-L251 WeakPolarHBondContact O-CD2 3.24Å |
| 41 | T | 95.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -108.9 | -172.4 | 60 | 0 | 0 | 0 | 0 | 112.2 | C37 I38 L39 F43 K44 F238 R239 L251 | C37-T41 WeakPolarHBondContact O-CG2 3.41Å; C37-T41 PolarHBondContact O-N 3.07Å; C37-T41 PolarHBondContact O-OG1 3.23Å; I38-T41 CarbonylContact O-C 3.5Å; I38-T41 PolarHBondContact O-N 2.96Å; I38-T41 PolarHBondContact O-OG1 3.05Å; L39-T41 VanDerWaalsContact C-N 3.3Å; T41-F43 VanDerWaalsContact C-N 3.29Å; T41-F43 PolarHBondContact O-N 2.61Å; T41-K44 WeakPolarHBondContact O-CB 3.27Å; T41-K44 PolarHBondContact O-N 3.44Å; T41-F238 HydrophobicContact CG2-CB 3.98Å; T41-R239 HydrophobicContact CG2-CB 4.14Å; T41-L251 HydrophobicContact CG2-CD2 4.29Å |
| 42 | W | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -72.5 | -18.1 | -167.3 | 65.9 | -89.7 | 0 | 0 | 0 | 114.1 | I22 V24 I38 K44 L45 I50 N109 Y110 V111 L113 | I22-W42 HydrophobicContact CG2-CH2 4.34Å; I22-W42 HydrophobicContact CG2-CZ3 4.34Å; V24-W42 HydrophobicContact CG2-CH2 3.48Å; V24-W42 VanDerWaalsContact CG2-CH2 3.48Å; V24-W42 HydrophobicContact CG2-CZ2 3.81Å; I38-W42 HydrophobicContact CD1-CZ2 4.08Å; I38-W42 HydrophobicContact CG1-CZ2 4.25Å; I38-W42 HydrophobicContact CG2-CD2 4.1Å; I38-W42 VanDerWaalsContact CG2-CE2 3.46Å; I38-W42 HydrophobicContact CG2-CH2 4.31Å; I38-W42 HydrophobicContact CG2-CZ2 3.58Å; I38-W42 PolarHBondContact O-N 3.14Å; W42-K44 PolarHBondContact O-N 3.44Å; W42-L45 WeakPolarHBondContact O-CB 3.4Å; W42-L45 PolarHBondContact O-N 2.93Å; W42-L45 VanDerWaalsContact O-N 3.15Å; W42-I50 HydrophobicContact CE3-CD1 3.63Å; W42-I50 HydrophobicContact CH2-CD1 4.39Å; W42-I50 HydrophobicContact CH2-CG2 4.27Å; W42-I50 HydrophobicContact CZ3-CD1 3.38Å; W42-I50 HydrophobicContact CZ3-CG1 3.86Å; W42-I50 HydrophobicContact CZ3-CG2 4.25Å; W42-N109 PolarHBondContact NE1-O 3.25Å; W42-N109 VanDerWaalsContact NE1-O 3.09Å; W42-Y110 HydrophobicContact CB-CD2 4.12Å; W42-Y110 HydrophobicContact CB-CE2 3.76Å; W42-Y110 AromaticContact CD1-CD2 3.49Å; W42-Y110 VanDerWaalsContact CD1-CD2 3.49Å; W42-Y110 HydrophobicContact CG-CD2 4.1Å; W42-Y110 HydrophobicContact CG-CE2 4.24Å; W42-V111 HydrophobicContact CD2-CB 4.08Å; W42-V111 HydrophobicContact CD2-CG2 4.39Å; W42-V111 HydrophobicContact CE3-CB 3.95Å; W42-V111 HydrophobicContact CE3-CG2 4.37Å; W42-V111 HydrophobicContact CH2-CB 4.3Å; W42-V111 HydrophobicContact CH2-CG2 3.83Å; W42-V111 HydrophobicContact CZ2-CB 4.42Å; W42-V111 HydrophobicContact CZ2-CG2 3.85Å; W42-V111 HydrophobicContact CZ3-CB 4.06Å; W42-V111 HydrophobicContact CZ3-CG2 4.09Å; W42-L113 HydrophobicContact CE3-CD1 4.13Å; W42-L113 HydrophobicContact CE3-CD2 4.33Å; W42-L113 HydrophobicContact CE3-CG 4.29Å; W42-L113 HydrophobicContact CZ3-CD2 4.41Å |
| 43 | F | 96.5 | Very high | 95.7 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 7% | 0.066 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -54.6 | -39 | 170.9 | 177.2 | -102.8 | 0 | 0 | 0 | 112.3 | I38 L39 T41 L45 A46 P47 I50 F52 T65 | I38-F43 HydrophobicContact CG2-CB 4.06Å; I38-F43 VanDerWaalsContact O-CB 3.25Å; I38-F43 WeakPolarHBondContact O-CB 3.29Å; I38-F43 PolarHBondContact O-N 2.87Å; L39-F43 HydrophobicContact CD2-CB 4.36Å; L39-F43 HydrophobicContact CD2-CD1 3.7Å; L39-F43 HydrophobicContact CD2-CD2 4.07Å; L39-F43 HydrophobicContact CD2-CE1 3.96Å; L39-F43 HydrophobicContact CD2-CE2 4.31Å; L39-F43 HydrophobicContact CD2-CG 3.77Å; L39-F43 HydrophobicContact CD2-CZ 4.27Å; T41-F43 VanDerWaalsContact C-N 3.29Å; T41-F43 PolarHBondContact O-N 2.61Å; F43-L45 PolarHBondContact O-N 3.27Å; F43-L45 VanDerWaalsContact O-N 3.11Å; F43-A46 CarbonylContact O-C 3.52Å; F43-A46 PolarHBondContact O-N 3.33Å; F43-A46 VanDerWaalsContact O-N 3.16Å; F43-P47 HydrophobicContact CD1-CB 4.47Å; F43-P47 HydrophobicContact CE1-CB 3.83Å; F43-P47 HydrophobicContact CE2-CB 4.35Å; F43-P47 HydrophobicContact CZ-CB 3.75Å; F43-P47 WeakPolarHBondContact O-CD 3.45Å; F43-P47 VanDerWaalsContact O-N 3.16Å; F43-I50 HydrophobicContact CD2-CB 3.91Å; F43-I50 HydrophobicContact CD2-CD1 4.09Å; F43-I50 HydrophobicContact CD2-CG2 3.9Å; F43-I50 HydrophobicContact CE2-CB 4.1Å; F43-I50 HydrophobicContact CE2-CG2 4.32Å; F43-F52 AromaticContact CD2-CE2 3.76Å; F43-F52 HydrophobicContact CD2-CE2 3.76Å; F43-F52 HydrophobicContact CD2-CZ 4.01Å; F43-F52 AromaticContact CE2-CE2 3.8Å; F43-F52 HydrophobicContact CE2-CE2 3.8Å; F43-T65 HydrophobicContact CE2-CG2 4.29Å; F43-T65 HydrophobicContact CZ-CG2 4.11Å |
| 44 | K | 93.9 | Very high | 95.9 | Very high | 102 Ų | 102 | 25.3 Ų | 25.3 | 44% | 0.443 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -62.6 | -21 | -177.6 | -63.9 | 178 | 175 | 170.6 | 0 | 113.6 | L39 E40 T41 W42 | L39-K44 WeakPolarHBondContact O-CE 3.39Å; E40-K44 PolarHBondContact O-NZ 3.33Å; T41-K44 WeakPolarHBondContact O-CB 3.27Å; T41-K44 PolarHBondContact O-N 3.44Å; W42-K44 PolarHBondContact O-N 3.44Å |
| 45 | L | 92.4 | Very high | 96 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -79.7 | -20.5 | -178.5 | -57.5 | 177.7 | 0 | 0 | 0 | 112.9 | F9 L12 W42 F43 L113 F114 | F9-L45 HydrophobicContact CD1-CD2 3.71Å; F9-L45 HydrophobicContact CE1-CD2 4.16Å; L12-L45 HydrophobicContact CD1-CB 4.42Å; W42-L45 WeakPolarHBondContact O-CB 3.4Å; W42-L45 PolarHBondContact O-N 2.93Å; W42-L45 VanDerWaalsContact O-N 3.15Å; F43-L45 PolarHBondContact O-N 3.27Å; F43-L45 VanDerWaalsContact O-N 3.11Å; L45-L113 HydrophobicContact CB-CD1 3.74Å; L45-F114 HydrophobicContact CD1-CE2 4.23Å |
| 46 | A | 93.5 | Very high | 96 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | trans | -156.8 | 58.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | F43 D48 N49 I50 L113 | F43-A46 CarbonylContact O-C 3.52Å; F43-A46 PolarHBondContact O-N 3.33Å; F43-A46 VanDerWaalsContact O-N 3.16Å; A46-D48 PolarHBondContact O-N 3.09Å; A46-N49 HydrophobicContact CB-CB 4.1Å; A46-N49 PolarHBondContact O-N 2.94Å; A46-I50 HydrophobicContact CB-CD1 4.29Å; A46-I50 WeakPolarHBondContact O-CD1 3.29Å; A46-I50 WeakPolarHBondContact O-CG1 3.49Å; A46-I50 PolarHBondContact O-N 3.48Å; A46-L113 HydrophobicContact CB-CD1 3.64Å | ||
| 47 | P | 94 | Very high | 96 | Very high | 39 Ų | 39 | 25.1 Ų | 25.1 | 25% | 0.253 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -59.5 | -32.7 | -175.1 | 25.3 | -35 | 0 | 0 | 0 | 112.6 | F43 N49 H68 | F43-P47 HydrophobicContact CD1-CB 4.47Å; F43-P47 HydrophobicContact CE1-CB 3.83Å; F43-P47 HydrophobicContact CE2-CB 4.35Å; F43-P47 HydrophobicContact CZ-CB 3.75Å; F43-P47 WeakPolarHBondContact O-CD 3.45Å; F43-P47 VanDerWaalsContact O-N 3.16Å; P47-N49 PolarHBondContact O-N 3.5Å; P47-H68 PolarHBondContact O-ND1 3.37Å |
| 48 | D | 93.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 26.8 Ų | 26.8 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -71.5 | -16 | 179.8 | -71.6 | 1.6 | 0 | 0 | 0 | 113.3 | R17 A46 H68 Y99 | R17-D48 IonicContact NH1-OD2 3.68Å; R17-D48 PolarHBondContact NH1-OD2 3.33Å; A46-D48 PolarHBondContact O-N 3.09Å; D48-H68 PolarHBondContact O-CE1 2.77Å; D48-Y99 PolarHBondContact O-OH 3.12Å; D48-Y99 VanDerWaalsContact O-OH 3.1Å |
| 49 | N | 95.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -106.6 | -11.5 | -174.9 | -65.5 | 97.9 | 0 | 0 | 0 | 113.7 | R17 V20 I22 A46 P47 Y99 R117 | R17-N49 PolarHBondContact O-ND2 3.48Å; V20-N49 WeakPolarHBondContact O-CB 3.34Å; V20-N49 PolarHBondContact O-ND2 3.18Å; I22-N49 WeakPolarHBondContact CB-O 3.27Å; I22-N49 PolarHBondContact N-O 2.64Å; A46-N49 HydrophobicContact CB-CB 4.1Å; A46-N49 PolarHBondContact O-N 2.94Å; P47-N49 PolarHBondContact O-N 3.5Å; N49-Y99 WeakPolarHBondContact ND2-CE1 3.4Å; N49-R117 PolarHBondContact OD1-NH2 3.34Å |
| 50 | I | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.7 | -169.1 | -60.5 | 162.5 | 0 | 0 | 0 | 110.2 | I22 V24 W42 F43 A46 F52 H68 L113 | I22-I50 HydrophobicContact CB-CG1 4.14Å; I22-I50 HydrophobicContact CD1-CG1 4.3Å; I22-I50 HydrophobicContact CG2-CG1 4.32Å; I22-I50 WeakPolarHBondContact O-CA 3.4Å; V24-I50 HydrophobicContact CG2-CG2 4.02Å; W42-I50 HydrophobicContact CE3-CD1 3.63Å; W42-I50 HydrophobicContact CH2-CD1 4.39Å; W42-I50 HydrophobicContact CH2-CG2 4.27Å; W42-I50 HydrophobicContact CZ3-CD1 3.38Å; W42-I50 HydrophobicContact CZ3-CG1 3.86Å; W42-I50 HydrophobicContact CZ3-CG2 4.25Å; F43-I50 HydrophobicContact CD2-CB 3.91Å; F43-I50 HydrophobicContact CD2-CD1 4.09Å; F43-I50 HydrophobicContact CD2-CG2 3.9Å; F43-I50 HydrophobicContact CE2-CB 4.1Å; F43-I50 HydrophobicContact CE2-CG2 4.32Å; A46-I50 HydrophobicContact CB-CD1 4.29Å; A46-I50 WeakPolarHBondContact O-CD1 3.29Å; A46-I50 WeakPolarHBondContact O-CG1 3.49Å; A46-I50 PolarHBondContact O-N 3.48Å; I50-F52 HydrophobicContact CG2-CE2 4.18Å; I50-F52 HydrophobicContact CG2-CZ 4.23Å; I50-H68 WeakPolarHBondContact O-CB 3.41Å; I50-H68 PolarHBondContact O-ND1 3.19Å; I50-L113 HydrophobicContact CD1-CD1 4.23Å |
| 51 | Y | 98.5 | Very high | 96.3 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.7 | 179.6 | -64.6 | -101.7 | 0 | 0 | 0 | 110.4 | F21 I22 T23 V24 H68 I70 | F21-Y51 AromaticContact CD2-CD2 3.67Å; F21-Y51 HydrophobicContact CD2-CD2 3.67Å; F21-Y51 AromaticContact CD2-CE2 3.55Å; F21-Y51 HydrophobicContact CD2-CE2 3.55Å; F21-Y51 HydrophobicContact CE1-CD2 4.48Å; F21-Y51 HydrophobicContact CE2-CD1 4.08Å; F21-Y51 AromaticContact CE2-CD2 3.23Å; F21-Y51 HydrophobicContact CE2-CD2 3.23Å; F21-Y51 HydrophobicContact CE2-CE1 4.1Å; F21-Y51 AromaticContact CE2-CE2 3.26Å; F21-Y51 HydrophobicContact CE2-CE2 3.26Å; F21-Y51 AromaticContact CE2-CG 3.68Å; F21-Y51 HydrophobicContact CE2-CG 3.68Å; F21-Y51 AromaticContact CE2-CZ 3.72Å; F21-Y51 HydrophobicContact CG-CD2 4.46Å; F21-Y51 HydrophobicContact CZ-CD1 4.24Å; F21-Y51 AromaticContact CZ-CD2 3.7Å; F21-Y51 HydrophobicContact CZ-CD2 3.7Å; F21-Y51 HydrophobicContact CZ-CE2 4.18Å; F21-Y51 AromaticContact CZ-CG 3.75Å; F21-Y51 HydrophobicContact CZ-CG 3.75Å; I22-Y51 PolarHBondContact O-N 3.22Å; T23-Y51 CarbonylContact C-O 3.44Å; T23-Y51 VanDerWaalsContact CA-O 3.29Å; T23-Y51 WeakPolarHBondContact CA-O 3.27Å; V24-Y51 PolarHBondContact N-O 3.14Å; Y51-H68 CarbonylContact C-O 3.56Å; Y51-H68 VanDerWaalsContact CA-O 3.31Å; Y51-H68 WeakPolarHBondContact CA-O 3.38Å; Y51-H68 HydrophobicContact CD1-CB 3.59Å; Y51-H68 AromaticContact CD1-CG 3.74Å; Y51-H68 HydrophobicContact CE1-CB 3.88Å; Y51-H68 AromaticContact CE1-CD2 3.33Å; Y51-H68 WeakPolarHBondContact CE1-CD2 3.39Å; Y51-H68 AromaticContact CE1-CE1 3.95Å; Y51-H68 AromaticContact CE1-CG 3.48Å; Y51-H68 VanDerWaalsContact CE1-CG 3.48Å; Y51-H68 AromaticContact CE1-ND1 3.89Å; Y51-H68 AromaticContact CE1-NE2 3.64Å; Y51-H68 HydrophobicContact CG-CB 4.05Å; Y51-H68 AromaticContact CZ-CD2 3.72Å; Y51-H68 AromaticContact CZ-CE1 3.54Å; Y51-H68 AromaticContact CZ-CG 3.83Å; Y51-H68 AromaticContact CZ-ND1 3.74Å; Y51-H68 AromaticContact CZ-NE2 3.52Å; Y51-H68 PolarHBondContact OH-CE1 2.72Å; Y51-H68 PolarHBondContact OH-NE2 3.36Å; Y51-I70 HydrophobicContact CD1-CD1 4.28Å |
| 52 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.4 | 177.3 | -65.5 | -88.3 | 0 | 0 | 0 | 109.7 | V24 V35 I38 L39 F43 I50 T65 H68 L69 I70 | V24-F52 HydrophobicContact CB-CD1 3.68Å; V24-F52 HydrophobicContact CB-CE1 3.88Å; V24-F52 HydrophobicContact CB-CG 4.5Å; V24-F52 HydrophobicContact CG1-CD1 3.82Å; V24-F52 HydrophobicContact CG1-CE1 3.89Å; V24-F52 HydrophobicContact CG2-CD1 4.39Å; V24-F52 HydrophobicContact CG2-CE1 4.14Å; V24-F52 WeakPolarHBondContact O-CA 3.4Å; V35-F52 HydrophobicContact CG1-CD1 3.93Å; V35-F52 HydrophobicContact CG1-CE1 3.8Å; V35-F52 HydrophobicContact CG1-CZ 4.27Å; V35-F52 HydrophobicContact CG2-CD1 4.34Å; I38-F52 HydrophobicContact CB-CE1 4.36Å; I38-F52 HydrophobicContact CB-CZ 4.47Å; I38-F52 HydrophobicContact CD1-CE1 4.36Å; I38-F52 HydrophobicContact CG2-CE1 3.98Å; I38-F52 HydrophobicContact CG2-CZ 3.81Å; L39-F52 HydrophobicContact CD2-CE2 3.81Å; L39-F52 HydrophobicContact CD2-CZ 3.84Å; F43-F52 AromaticContact CD2-CE2 3.76Å; F43-F52 HydrophobicContact CD2-CE2 3.76Å; F43-F52 HydrophobicContact CD2-CZ 4.01Å; F43-F52 AromaticContact CE2-CE2 3.8Å; F43-F52 HydrophobicContact CE2-CE2 3.8Å; I50-F52 HydrophobicContact CG2-CE2 4.18Å; I50-F52 HydrophobicContact CG2-CZ 4.23Å; F52-T65 HydrophobicContact CD2-CG2 3.7Å; F52-T65 HydrophobicContact CE2-CG2 3.61Å; F52-H68 PolarHBondContact N-O 3.42Å; F52-L69 HydrophobicContact CB-CD1 3.71Å; F52-I70 PolarHBondContact O-N 2.95Å |
| 53 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.9 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | T23 V24 T26 I70 T72 K86 V89 E90 | T23-V53 HydrophobicContact CG2-CG2 4.27Å; V24-V53 PolarHBondContact O-N 3.29Å; T26-V53 PolarHBondContact N-O 3.1Å; V53-I70 HydrophobicContact CG2-CB 4.26Å; V53-I70 HydrophobicContact CG2-CD1 4.35Å; V53-T72 HydrophobicContact CG1-CG2 3.4Å; V53-T72 VanDerWaalsContact CG1-CG2 3.4Å; V53-K86 HydrophobicContact CG1-CB 4.42Å; V53-V89 HydrophobicContact CG1-CB 4.35Å; V53-V89 HydrophobicContact CG1-CG1 4.22Å; V53-E90 HydrophobicContact CB-CG 3.96Å; V53-E90 HydrophobicContact CG1-CG 4.13Å; V53-E90 HydrophobicContact CG2-CB 4.5Å; V53-E90 HydrophobicContact CG2-CG 3.55Å |
| 54 | T | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 164.4 | -170.8 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | H31 T56 L69 I70 T72 | H31-T54 PolarHBondContact NE2-OG1 2.75Å; T54-T56 WeakPolarHBondContact CG2-O 3.19Å; T54-L69 HydrophobicContact CG2-CD1 3.58Å; T54-L69 HydrophobicContact CG2-CD2 4.4Å; T54-L69 HydrophobicContact CG2-CG 4.04Å; T54-I70 PolarHBondContact N-O 3.17Å; T54-T72 WeakPolarHBondContact O-CB 3.26Å; T54-T72 VanDerWaalsContact O-CG2 3.3Å; T54-T72 WeakPolarHBondContact O-CG2 3.16Å; T54-T72 PolarHBondContact O-N 2.99Å; T54-T72 PolarHBondContact O-OG1 2.58Å |
| 55 | D | 96.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -92.1 | 6.5 | 176.8 | 54.5 | 104.7 | 0 | 0 | 0 | 114.3 | S27 C74 G76 K86 | S27-D55 WeakPolarHBondContact CA-OD2 3.49Å; S27-D55 WeakPolarHBondContact CB-OD2 3.34Å; S27-D55 PolarHBondContact OG-OD1 2.74Å; S27-D55 PolarHBondContact OG-OD2 3.45Å; D55-C74 VanDerWaalsContact CB-O 3.23Å; D55-C74 WeakPolarHBondContact CB-O 3.26Å; D55-G76 WeakPolarHBondContact OD1-CA 3.17Å; D55-G76 WeakPolarHBondContact OD2-CA 3.23Å; D55-K86 IonicContact OD2-NZ 2.69Å; D55-K86 PolarHBondContact OD2-NZ 3.19Å |
| 56 | T | 96.7 | Very high | 96.9 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -147.8 | 133.4 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | W28 T54 | W28-T56 HydrophobicContact CB-CG2 4.28Å; W28-T56 WeakPolarHBondContact CB-OG1 3.29Å; T54-T56 WeakPolarHBondContact CG2-O 3.19Å |
| 57 | A | 96.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 55% | 0.554 | 28% | 0.279 | S | S | * | . | trans | -64 | 134.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S71 | A57-S71 PolarHBondContact N-OG 3.14Š| ||
| 58 | D | 97.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | trans | -138.2 | 97.7 | 179.5 | -177.5 | -25.6 | 0 | 0 | 0 | 108.4 | H31 I60 L61 S62 L69 | H31-D58 IonicContact CE1-OD2 3.9Å; H31-D58 IonicContact CG-OD2 3.02Å; H31-D58 IonicContact ND1-OD2 2.66Å; H31-D58 PolarHBondContact ND1-OD2 3.26Å; D58-I60 PolarHBondContact O-N 3.29Å; D58-I60 PolarHBondContact OD1-N 3.07Å; D58-I60 VanDerWaalsContact OD1-N 3.11Å; D58-L61 HydrophobicContact CB-CB 3.86Å; D58-L61 VanDerWaalsContact CG-CB 3.47Å; D58-L61 PolarHBondContact O-N 2.98Å; D58-L61 PolarHBondContact OD1-N 3.48Å; D58-S62 WeakPolarHBondContact O-CB 3.43Å; D58-S62 PolarHBondContact O-N 2.58Å; D58-L69 HydrophobicContact CB-CD2 3.78Å; D58-L69 VanDerWaalsContact O-CD2 3.3Å; D58-L69 WeakPolarHBondContact O-CD2 3.35Å | ||
| 59 | P | 97.8 | Very high | 97.5 | Very high | 106 Ų | 106 | 47.7 Ų | 47.7 | 69% | 0.688 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.8 | -30.9 | -177.2 | -26.1 | 35.3 | 0 | 0 | 0 | 113.6 | N63 | P59-N63 WeakPolarHBondContact O-CB 3.45Å; P59-N63 PolarHBondContact O-N 3.01Å |
| 60 | I | 97.7 | Very high | 97.6 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.5 | -45.3 | 179.2 | -61.6 | 173.4 | 0 | 0 | 0 | 109.4 | D58 K64 | D58-I60 PolarHBondContact O-N 3.29Å; D58-I60 PolarHBondContact OD1-N 3.07Å; D58-I60 VanDerWaalsContact OD1-N 3.11Å; I60-K64 HydrophobicContact CG2-CD 4.43Å; I60-K64 WeakPolarHBondContact O-CG 3.26Å; I60-K64 PolarHBondContact O-N 3.07Å; I60-K64 VanDerWaalsContact O-N 3.13Å |
| 61 | L | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.1 | 179 | 58.1 | 0 | 0 | 0 | 111.2 | H31 V35 L39 D58 N63 K64 T65 L69 | H31-L61 HydrophobicContact CB-CD2 4.34Å; V35-L61 HydrophobicContact CG1-CD1 3.69Å; V35-L61 HydrophobicContact CG1-CD2 3.93Å; V35-L61 HydrophobicContact CG1-CG 4.48Å; L39-L61 HydrophobicContact CD1-CD1 3.65Å; D58-L61 HydrophobicContact CB-CB 3.86Å; D58-L61 VanDerWaalsContact CG-CB 3.47Å; D58-L61 PolarHBondContact O-N 2.98Å; D58-L61 PolarHBondContact OD1-N 3.48Å; L61-N63 VanDerWaalsContact C-N 3.33Å; L61-N63 PolarHBondContact O-N 3.17Å; L61-K64 WeakPolarHBondContact O-CB 3.48Å; L61-K64 PolarHBondContact O-N 3.2Å; L61-T65 HydrophobicContact CD1-CG2 3.92Å; L61-T65 WeakPolarHBondContact O-CG2 3.49Å; L61-T65 PolarHBondContact O-N 3.06Å; L61-T65 PolarHBondContact O-OG1 2.94Å; L61-L69 HydrophobicContact CB-CD2 4.13Å; L61-L69 HydrophobicContact CD2-CD1 3.51Å; L61-L69 HydrophobicContact CD2-CD2 4.17Å; L61-L69 HydrophobicContact CD2-CG 4.43Å; L61-L69 HydrophobicContact CG-CD1 3.94Å; L61-L69 HydrophobicContact CG-CD2 4.16Å |
| 62 | S | 97.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -51.4 | -51.8 | 175.5 | -163.2 | 0 | 0 | 0 | 0 | 111.3 | D58 K64 T65 N66 D67 | D58-S62 WeakPolarHBondContact O-CB 3.43Å; D58-S62 PolarHBondContact O-N 2.58Å; S62-K64 PolarHBondContact O-N 2.89Å; S62-T65 CarbonylContact O-C 3.42Å; S62-T65 PolarHBondContact O-N 2.97Å; S62-T65 PolarHBondContact O-OG1 3.4Å; S62-T65 VanDerWaalsContact O-OG1 3.06Å; S62-N66 PolarHBondContact O-N 2.7Å; S62-N66 VanDerWaalsContact O-N 3.16Å; S62-D67 PolarHBondContact O-N 3.36Å; S62-D67 PolarHBondContact OG-OD1 2.79Å |
| 63 | N | 97.9 | Very high | 96.9 | Very high | 124 Ų | 124 | 56.6 Ų | 56.6 | 66% | 0.663 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 178.2 | -176.5 | 53.1 | 0 | 0 | 0 | 112.8 | P59 L61 T65 N66 | P59-N63 WeakPolarHBondContact O-CB 3.45Å; P59-N63 PolarHBondContact O-N 3.01Å; L61-N63 VanDerWaalsContact C-N 3.33Å; L61-N63 PolarHBondContact O-N 3.17Å; N63-T65 PolarHBondContact O-N 2.98Å; N63-N66 PolarHBondContact O-N 3.4Å |
| 64 | K | 97.4 | Very high | 96.5 | Very high | 129 Ų | 129 | 57 Ų | 57 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.7 | -22.2 | 176 | -75.1 | 176.5 | -179.1 | 179.1 | 0 | 113.5 | L39 I60 L61 S62 | L39-K64 HydrophobicContact CD1-CD 4.45Å; I60-K64 HydrophobicContact CG2-CD 4.43Å; I60-K64 WeakPolarHBondContact O-CG 3.26Å; I60-K64 PolarHBondContact O-N 3.07Å; I60-K64 VanDerWaalsContact O-N 3.13Å; L61-K64 WeakPolarHBondContact O-CB 3.48Å; L61-K64 PolarHBondContact O-N 3.2Å; S62-K64 PolarHBondContact O-N 2.89Å |
| 65 | T | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 15.4 | -177.5 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | L39 F43 F52 L61 S62 N63 D67 H68 | L39-T65 HydrophobicContact CD2-CG2 3.63Å; F43-T65 HydrophobicContact CE2-CG2 4.29Å; F43-T65 HydrophobicContact CZ-CG2 4.11Å; F52-T65 HydrophobicContact CD2-CG2 3.7Å; F52-T65 HydrophobicContact CE2-CG2 3.61Å; L61-T65 HydrophobicContact CD1-CG2 3.92Å; L61-T65 WeakPolarHBondContact O-CG2 3.49Å; L61-T65 PolarHBondContact O-N 3.06Å; L61-T65 PolarHBondContact O-OG1 2.94Å; S62-T65 CarbonylContact O-C 3.42Å; S62-T65 PolarHBondContact O-N 2.97Å; S62-T65 PolarHBondContact O-OG1 3.4Å; S62-T65 VanDerWaalsContact O-OG1 3.06Å; N63-T65 PolarHBondContact O-N 2.98Å; T65-D67 VanDerWaalsContact C-N 3.28Å; T65-D67 PolarHBondContact O-N 3.07Å; T65-H68 WeakPolarHBondContact O-CB 3.46Å; T65-H68 PolarHBondContact O-N 3.25Å |
| 66 | N | 96 | Very high | 95.1 | Very high | 100 Ų | 100 | 67.1 Ų | 67.1 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 46.5 | -176 | -56.5 | -35.3 | 0 | 0 | 0 | 112.6 | S62 N63 H68 | S62-N66 PolarHBondContact O-N 2.7Å; S62-N66 VanDerWaalsContact O-N 3.16Å; N63-N66 PolarHBondContact O-N 3.4Å; N66-H68 PolarHBondContact O-CD2 2.87Å; N66-H68 PolarHBondContact O-N 2.86Å |
| 67 | D | 97.2 | Very high | 94.5 | Very high | 123 Ų | 123 | 67.3 Ų | 67.3 | 66% | 0.658 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 19.8 | -177 | -58.6 | -44.6 | 0 | 0 | 0 | 115.3 | S62 T65 L69 | S62-D67 PolarHBondContact O-N 3.36Å; S62-D67 PolarHBondContact OG-OD1 2.79Å; T65-D67 VanDerWaalsContact C-N 3.28Å; T65-D67 PolarHBondContact O-N 3.07Å; D67-L69 PolarHBondContact O-N 3.07Å; D67-L69 VanDerWaalsContact O-N 3.16Å |
| 68 | H | 97.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 11% | 0.111 | 38% | 0.38 | C | S | . | . | trans | -83 | 27.4 | 171.6 | -61.3 | -172.9 | 0 | 0 | 0 | 113.3 | P47 D48 I50 Y51 F52 T65 N66 | P47-H68 PolarHBondContact O-ND1 3.37Å; D48-H68 PolarHBondContact O-CE1 2.77Å; I50-H68 WeakPolarHBondContact O-CB 3.41Å; I50-H68 PolarHBondContact O-ND1 3.19Å; Y51-H68 CarbonylContact C-O 3.56Å; Y51-H68 VanDerWaalsContact CA-O 3.31Å; Y51-H68 WeakPolarHBondContact CA-O 3.38Å; Y51-H68 HydrophobicContact CD1-CB 3.59Å; Y51-H68 AromaticContact CD1-CG 3.74Å; Y51-H68 HydrophobicContact CE1-CB 3.88Å; Y51-H68 AromaticContact CE1-CD2 3.33Å; Y51-H68 WeakPolarHBondContact CE1-CD2 3.39Å; Y51-H68 AromaticContact CE1-CE1 3.95Å; Y51-H68 AromaticContact CE1-CG 3.48Å; Y51-H68 VanDerWaalsContact CE1-CG 3.48Å; Y51-H68 AromaticContact CE1-ND1 3.89Å; Y51-H68 AromaticContact CE1-NE2 3.64Å; Y51-H68 HydrophobicContact CG-CB 4.05Å; Y51-H68 AromaticContact CZ-CD2 3.72Å; Y51-H68 AromaticContact CZ-CE1 3.54Å; Y51-H68 AromaticContact CZ-CG 3.83Å; Y51-H68 AromaticContact CZ-ND1 3.74Å; Y51-H68 AromaticContact CZ-NE2 3.52Å; Y51-H68 PolarHBondContact OH-CE1 2.72Å; Y51-H68 PolarHBondContact OH-NE2 3.36Å; F52-H68 PolarHBondContact N-O 3.42Å; T65-H68 WeakPolarHBondContact O-CB 3.46Å; T65-H68 PolarHBondContact O-N 3.25Å; N66-H68 PolarHBondContact O-CD2 2.87Å; N66-H68 PolarHBondContact O-N 2.86Å | ||
| 69 | L | 98.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 70.5 Ų | 70.5 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.4 | 171 | -175.5 | 73 | 0 | 0 | 0 | 109.9 | F52 T54 D58 L61 D67 | F52-L69 HydrophobicContact CB-CD1 3.71Å; T54-L69 HydrophobicContact CG2-CD1 3.58Å; T54-L69 HydrophobicContact CG2-CD2 4.4Å; T54-L69 HydrophobicContact CG2-CG 4.04Å; D58-L69 HydrophobicContact CB-CD2 3.78Å; D58-L69 VanDerWaalsContact O-CD2 3.3Å; D58-L69 WeakPolarHBondContact O-CD2 3.35Å; L61-L69 HydrophobicContact CB-CD2 4.13Å; L61-L69 HydrophobicContact CD2-CD1 3.51Å; L61-L69 HydrophobicContact CD2-CD2 4.17Å; L61-L69 HydrophobicContact CD2-CG 4.43Å; L61-L69 HydrophobicContact CG-CD1 3.94Å; L61-L69 HydrophobicContact CG-CD2 4.16Å; D67-L69 PolarHBondContact O-N 3.07Å; D67-L69 VanDerWaalsContact O-N 3.16Å |
| 70 | I | 98.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 67.2 Ų | 67.2 | 21% | 0.21 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 101.8 | 178.8 | -53.3 | 178.1 | 0 | 0 | 0 | 108.5 | Y51 F52 V53 T54 V89 A93 | Y51-I70 HydrophobicContact CD1-CD1 4.28Å; F52-I70 PolarHBondContact O-N 2.95Å; V53-I70 HydrophobicContact CG2-CB 4.26Å; V53-I70 HydrophobicContact CG2-CD1 4.35Å; T54-I70 PolarHBondContact N-O 3.17Å; I70-V89 HydrophobicContact CG2-CG1 3.67Å; I70-A93 HydrophobicContact CD1-CB 3.49Å; I70-A93 VanDerWaalsContact CD1-CB 3.49Å |
| 71 | S | 96.2 | Very high | 91.9 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 128 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | A57 | A57-S71 PolarHBondContact N-OG 3.14Å |
| 72 | T | 94.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 72.1 Ų | 72.1 | 6% | 0.055 | 38% | 0.377 | C | S | . | . | trans | -107.7 | 155.7 | -177.4 | 72.6 | 0 | 0 | 0 | 0 | 111.5 | V53 T54 C74 V89 | V53-T72 HydrophobicContact CG1-CG2 3.4Å; V53-T72 VanDerWaalsContact CG1-CG2 3.4Å; T54-T72 WeakPolarHBondContact O-CB 3.26Å; T54-T72 VanDerWaalsContact O-CG2 3.3Å; T54-T72 WeakPolarHBondContact O-CG2 3.16Å; T54-T72 PolarHBondContact O-N 2.99Å; T54-T72 PolarHBondContact O-OG1 2.58Å; T72-C74 VanDerWaalsContact CB-SG 3.57Å; T72-C74 PolarHBondContact O-N 3.01Å; T72-C74 VanDerWaalsContact OG1-CB 3.28Å; T72-C74 WeakPolarHBondContact OG1-CB 3.17Å; T72-C74 PolarHBondContact OG1-N 3.08Å; T72-C74 PolarHBondContact OG1-SG 3.14Å; T72-C74 VanDerWaalsContact OG1-SG 3.38Å; T72-V89 HydrophobicContact CG2-CB 3.79Å; T72-V89 HydrophobicContact CG2-CG1 3.6Å; T72-V89 HydrophobicContact CG2-CG2 3.83Å | ||
| 73 | P | 89.5 | Confident | 90.8 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 83% | 0.831 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -77.8 | 6.6 | 168.1 | 34.3 | -36.4 | 0 | 0 | 0 | 112.7 | ||
| 74 | C | 90.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -70.7 | 151 | -177.1 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | D55 T72 C85 K86 | D55-C74 VanDerWaalsContact CB-O 3.23Å; D55-C74 WeakPolarHBondContact CB-O 3.26Å; T72-C74 VanDerWaalsContact CB-SG 3.57Å; T72-C74 PolarHBondContact O-N 3.01Å; T72-C74 VanDerWaalsContact OG1-CB 3.28Å; T72-C74 WeakPolarHBondContact OG1-CB 3.17Å; T72-C74 PolarHBondContact OG1-N 3.08Å; T72-C74 PolarHBondContact OG1-SG 3.14Å; T72-C74 VanDerWaalsContact OG1-SG 3.38Å; C74-C85 WeakPolarHBondContact CA-SG 3.49Å; C74-C85 HydrophobicContact CB-CB 3.68Å; C74-C85 WeakPolarHBondContact CB-SG 3.47Å; C74-C85 WeakPolarHBondContact SG-CB 3.41Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 2.86Å; C74-K86 HydrophobicContact CB-CG 3.87Å; C74-K86 PolarHBondContact SG-N 2.85Å; C74-K86 VanDerWaalsContact SG-N 3.4Å |
| 75 | R | 85.8 | Confident | 90 | Very high | 205 Ų | 205 | 66.2 Ų | 66.2 | 77% | 0.774 | 35% | 0.347 | S | S | * | . | trans | -66.9 | 147.8 | 173.6 | -63.7 | -175.5 | 178.4 | -165.1 | -3.6 | 110.6 | S77 A82 | R75-S77 PolarHBondContact O-N 2.8Å; R75-A82 HydrophobicContact CB-CB 4.22Å; R75-A82 WeakPolarHBondContact O-CB 3.48Å | ||
| 76 | G | 79.2 | Confident | 89.9 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -72.2 | -3.7 | 173 | 0 | 0 | 0 | 0 | 0 | 116.1 | D55 | D55-G76 WeakPolarHBondContact OD1-CA 3.17Å; D55-G76 WeakPolarHBondContact OD2-CA 3.23Å |
| 77 | S | 83.1 | Confident | 89.8 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -69.5 | 152.5 | 178 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | R75 G79 A82 | R75-S77 PolarHBondContact O-N 2.8Å; S77-G79 PolarHBondContact O-N 3.26Å; S77-G79 VanDerWaalsContact O-N 3.15Å; S77-A82 WeakPolarHBondContact O-CB 3.35Å; S77-A82 WeakPolarHBondContact OG-CB 3.19Å |
| 78 | H | 80.6 | Confident | 89.5 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 63% | 0.625 | 31% | 0.311 | S | S | * | . | trans | -77.3 | 16.1 | 168 | -72.8 | -82.8 | 0 | 0 | 0 | 114.3 | F30 L83 | F30-H78 AromaticContact CE2-NE2 3.99Å; H78-L83 WeakPolarHBondContact O-CD1 3.47Å | ||
| 79 | G | 83.9 | Confident | 89.4 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -70.9 | 150.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S77 R81 A82 L83 | S77-G79 PolarHBondContact O-N 3.26Å; S77-G79 VanDerWaalsContact O-N 3.15Å; G79-R81 PolarHBondContact O-N 2.98Å; G79-R81 VanDerWaalsContact O-N 3.07Å; G79-A82 WeakPolarHBondContact O-CB 3.35Å; G79-A82 PolarHBondContact O-N 3.11Å; G79-L83 PolarHBondContact O-N 3.5Å |
| 80 | V | 84.7 | Confident | 89.3 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -47 | -42.7 | -179.1 | 171.7 | 0 | 0 | 0 | 0 | 113.5 | R84 F181 | V80-R84 WeakPolarHBondContact O-CB 3.3Å; V80-R84 VanDerWaalsContact O-CG 3.31Å; V80-R84 WeakPolarHBondContact O-CG 3.28Å; V80-R84 PolarHBondContact O-N 2.7Å; V80-F181 WeakPolarHBondContact CG1-O 3.33Å |
| 81 | R | 86.2 | Confident | 89.2 | Confident | 221 Ų | 221 | 56 Ų | 56 | 83% | 0.834 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 179.1 | -67.6 | -176.6 | -177 | 172.9 | 1.3 | 112.8 | G79 C85 | G79-R81 PolarHBondContact O-N 2.98Å; G79-R81 VanDerWaalsContact O-N 3.07Å; R81-C85 VanDerWaalsContact O-CB 3.29Å; R81-C85 WeakPolarHBondContact O-CB 3.37Å; R81-C85 PolarHBondContact O-N 2.88Å |
| 82 | A | 86.4 | Confident | 89.1 | Confident | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.1 | -44.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R75 S77 G79 R84 C85 K86 | R75-A82 HydrophobicContact CB-CB 4.22Å; R75-A82 WeakPolarHBondContact O-CB 3.48Å; S77-A82 WeakPolarHBondContact O-CB 3.35Å; S77-A82 WeakPolarHBondContact OG-CB 3.19Å; G79-A82 WeakPolarHBondContact O-CB 3.35Å; G79-A82 PolarHBondContact O-N 3.11Å; A82-R84 PolarHBondContact O-N 3.07Å; A82-C85 WeakPolarHBondContact O-CB 3.36Å; A82-C85 PolarHBondContact O-N 2.79Å; A82-K86 PolarHBondContact O-N 3.2Å |
| 83 | L | 86.1 | Confident | 89.2 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 177.2 | -63.7 | 177.1 | 0 | 0 | 0 | 111.7 | K25 H78 G79 C85 K86 L87 D183 | K25-L83 HydrophobicContact CD-CD2 4.47Å; H78-L83 WeakPolarHBondContact O-CD1 3.47Å; G79-L83 PolarHBondContact O-N 3.5Å; L83-C85 VanDerWaalsContact C-N 3.32Å; L83-C85 PolarHBondContact O-N 2.93Å; L83-K86 PolarHBondContact O-N 3.12Å; L83-L87 PolarHBondContact O-N 2.77Å; L83-D183 HydrophobicContact CB-CB 4.18Å |
| 84 | R | 88.1 | Confident | 89.6 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 174.2 | -76.4 | 171.5 | 60.8 | 162.5 | -1.7 | 113.3 | V80 A82 A88 Q179 F181 D183 M186 | V80-R84 WeakPolarHBondContact O-CB 3.3Å; V80-R84 VanDerWaalsContact O-CG 3.31Å; V80-R84 WeakPolarHBondContact O-CG 3.28Å; V80-R84 PolarHBondContact O-N 2.7Å; A82-R84 PolarHBondContact O-N 3.07Å; R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 3.01Å; R84-Q179 PolarHBondContact NH1-O 3.2Å; R84-F181 VanDerWaalsContact CD-O 3.3Å; R84-F181 WeakPolarHBondContact CD-O 3.49Å; R84-D183 HydrophobicContact CG-CB 4.27Å; R84-M186 VanDerWaalsContact NH2-CE 3.31Å |
| 85 | C | 91.7 | Very high | 89.9 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | C74 R81 A82 L83 A88 V89 | C74-C85 WeakPolarHBondContact CA-SG 3.49Å; C74-C85 HydrophobicContact CB-CB 3.68Å; C74-C85 WeakPolarHBondContact CB-SG 3.47Å; C74-C85 WeakPolarHBondContact SG-CB 3.41Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 2.86Å; R81-C85 VanDerWaalsContact O-CB 3.29Å; R81-C85 WeakPolarHBondContact O-CB 3.37Å; R81-C85 PolarHBondContact O-N 2.88Å; A82-C85 WeakPolarHBondContact O-CB 3.36Å; A82-C85 PolarHBondContact O-N 2.79Å; L83-C85 VanDerWaalsContact C-N 3.32Å; L83-C85 PolarHBondContact O-N 2.93Å; C85-A88 WeakPolarHBondContact O-CB 3.47Å; C85-A88 PolarHBondContact O-N 3.27Å; C85-V89 WeakPolarHBondContact O-CG2 3.43Å; C85-V89 PolarHBondContact O-N 3.24Å |
| 86 | K | 94.2 | Very high | 90.3 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.1 | -70.3 | 179.2 | 179.9 | -177.7 | 0 | 111.6 | K25 T26 V53 D55 C74 A82 L83 A88 V89 E90 | K25-K86 HydrophobicContact CD-CB 3.89Å; K25-K86 HydrophobicContact CD-CD 4.34Å; K25-K86 HydrophobicContact CG-CB 4.03Å; K25-K86 HydrophobicContact CG-CD 3.97Å; T26-K86 PolarHBondContact O-NZ 3.27Å; V53-K86 HydrophobicContact CG1-CB 4.42Å; D55-K86 IonicContact OD2-NZ 2.69Å; D55-K86 PolarHBondContact OD2-NZ 3.19Å; C74-K86 HydrophobicContact CB-CG 3.87Å; C74-K86 PolarHBondContact SG-N 2.85Å; C74-K86 VanDerWaalsContact SG-N 3.4Å; A82-K86 PolarHBondContact O-N 3.2Å; L83-K86 PolarHBondContact O-N 3.12Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.41Å; K86-V89 WeakPolarHBondContact O-CB 3.49Å; K86-V89 PolarHBondContact O-N 3.27Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 3.47Å |
| 87 | L | 93.6 | Very high | 91.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 174.1 | 175.3 | 64.2 | 0 | 0 | 0 | 112.6 | L83 V89 E90 L91 F157 D183 M187 | L83-L87 PolarHBondContact O-N 2.77Å; L87-V89 VanDerWaalsContact C-N 3.29Å; L87-V89 PolarHBondContact O-N 2.77Å; L87-E90 WeakPolarHBondContact CD1-OE2 3.24Å; L87-E90 WeakPolarHBondContact O-CB 3.01Å; L87-E90 PolarHBondContact O-N 2.74Å; L87-L91 HydrophobicContact CD1-CD1 4Å; L87-L91 HydrophobicContact CD1-CG 4.15Å; L87-L91 HydrophobicContact CG-CD1 3.98Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 3.13Å; L87-F157 HydrophobicContact CD1-CZ 3.99Å; L87-D183 HydrophobicContact CB-CB 4.22Å; L87-D183 HydrophobicContact CD2-CB 3.74Å; L87-D183 WeakPolarHBondContact CD2-O 3.4Å; L87-M187 HydrophobicContact CD1-CG 4.46Å; L87-M187 HydrophobicContact CD1-SD 4.3Å; L87-M187 HydrophobicContact CD2-CG 3.55Å; L87-M187 HydrophobicContact CD2-SD 3.76Å; L87-M187 HydrophobicContact CG-SD 4.37Å |
| 88 | A | 92.3 | Very high | 91.6 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R84 C85 K86 T92 | R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 3.01Å; C85-A88 WeakPolarHBondContact O-CB 3.47Å; C85-A88 PolarHBondContact O-N 3.27Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.41Å; A88-T92 WeakPolarHBondContact O-CB 3.14Å; A88-T92 PolarHBondContact O-N 3.36Å; A88-T92 PolarHBondContact O-OG1 2.04Å |
| 89 | V | 94.5 | Very high | 92.4 | Very high | 32 Ų | 32 | 49 Ų | 49 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | V53 I70 T72 C85 K86 L87 L91 T92 A93 | V53-V89 HydrophobicContact CG1-CB 4.35Å; V53-V89 HydrophobicContact CG1-CG1 4.22Å; I70-V89 HydrophobicContact CG2-CG1 3.67Å; T72-V89 HydrophobicContact CG2-CB 3.79Å; T72-V89 HydrophobicContact CG2-CG1 3.6Å; T72-V89 HydrophobicContact CG2-CG2 3.83Å; C85-V89 WeakPolarHBondContact O-CG2 3.43Å; C85-V89 PolarHBondContact O-N 3.24Å; K86-V89 WeakPolarHBondContact O-CB 3.49Å; K86-V89 PolarHBondContact O-N 3.27Å; L87-V89 VanDerWaalsContact C-N 3.29Å; L87-V89 PolarHBondContact O-N 2.77Å; V89-L91 VanDerWaalsContact C-N 3.31Å; V89-L91 PolarHBondContact O-N 2.9Å; V89-T92 PolarHBondContact O-N 3.33Å; V89-A93 WeakPolarHBondContact O-CB 3.48Å; V89-A93 PolarHBondContact O-N 3.47Å |
| 90 | E | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.4 | -47.2 | 174 | -68.5 | 165.1 | -157.8 | 0 | 0 | 111.7 | T23 K25 V53 K86 L87 A93 Y94 F102 H104 | T23-E90 HydrophobicContact CG2-CB 4Å; T23-E90 HydrophobicContact CG2-CG 3.98Å; T23-E90 PolarHBondContact OG1-OE2 3.23Å; K25-E90 WeakPolarHBondContact CB-OE1 3.22Å; V53-E90 HydrophobicContact CB-CG 3.96Å; V53-E90 HydrophobicContact CG1-CG 4.13Å; V53-E90 HydrophobicContact CG2-CB 4.5Å; V53-E90 HydrophobicContact CG2-CG 3.55Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 3.47Å; L87-E90 WeakPolarHBondContact CD1-OE2 3.24Å; L87-E90 WeakPolarHBondContact O-CB 3.01Å; L87-E90 PolarHBondContact O-N 2.74Å; E90-A93 PolarHBondContact O-N 3.43Å; E90-Y94 PolarHBondContact O-N 2.76Å; E90-F102 HydrophobicContact CB-CE2 4.01Å; E90-F102 HydrophobicContact CB-CZ 3.97Å; E90-H104 VanDerWaalsContact CD-ND1 3.33Å; E90-H104 IonicContact OE1-CE1 3.14Å; E90-H104 PolarHBondContact OE1-CE1 2.64Å; E90-H104 IonicContact OE1-ND1 3.88Å; E90-H104 PolarHBondContact OE1-ND1 3.41Å; E90-H104 IonicContact OE2-CE1 3.54Å; E90-H104 PolarHBondContact OE2-CE1 2.69Å; E90-H104 IonicContact OE2-CG 2.64Å; E90-H104 IonicContact OE2-ND1 2.76Å; E90-H104 PolarHBondContact OE2-ND1 3.27Å |
| 91 | L | 96.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.2 | -37.2 | -179.4 | -68.3 | 170.2 | 0 | 0 | 0 | 112.3 | L87 V89 Y94 S95 F102 L159 F164 L171 M187 | L87-L91 HydrophobicContact CD1-CD1 4Å; L87-L91 HydrophobicContact CD1-CG 4.15Å; L87-L91 HydrophobicContact CG-CD1 3.98Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 3.13Å; V89-L91 VanDerWaalsContact C-N 3.31Å; V89-L91 PolarHBondContact O-N 2.9Å; L91-Y94 PolarHBondContact O-N 2.81Å; L91-S95 PolarHBondContact O-N 3.43Å; L91-F102 HydrophobicContact CD2-CD1 4.05Å; L91-F102 HydrophobicContact CD2-CE1 3.79Å; L91-F102 HydrophobicContact CD2-CE2 4.46Å; L91-F102 HydrophobicContact CD2-CG 4.49Å; L91-F102 HydrophobicContact CD2-CZ 4.02Å; L91-L159 HydrophobicContact CD2-CD1 4.06Å; L91-F164 HydrophobicContact CB-CE2 4.05Å; L91-F164 HydrophobicContact CD2-CD2 4.05Å; L91-F164 HydrophobicContact CD2-CE2 3.88Å; L91-F164 VanDerWaalsContact O-CZ 3.27Å; L91-F164 WeakPolarHBondContact O-CZ 3.29Å; L91-L171 HydrophobicContact CB-CD1 3.93Å; L91-L171 HydrophobicContact CD1-CD1 3.69Å; L91-L171 HydrophobicContact CD1-CD2 3.67Å; L91-L171 HydrophobicContact CD1-CG 4.36Å; L91-L171 HydrophobicContact CG-CD1 4.31Å; L91-M187 HydrophobicContact CD1-SD 3.8Å |
| 92 | T | 94.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 40.2 Ų | 40.2 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.2 | -44 | 172.2 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | A88 V89 Y94 S95 | A88-T92 WeakPolarHBondContact O-CB 3.14Å; A88-T92 PolarHBondContact O-N 3.36Å; A88-T92 PolarHBondContact O-OG1 2.04Å; V89-T92 PolarHBondContact O-N 3.33Å; T92-Y94 VanDerWaalsContact C-N 3.27Å; T92-Y94 PolarHBondContact O-N 3.48Å; T92-S95 PolarHBondContact O-N 3.19Å; T92-S95 VanDerWaalsContact O-N 3.07Å; T92-S95 PolarHBondContact O-OG 3.39Å |
| 93 | A | 96.2 | Very high | 94.8 | Very high | 22 Ų | 22 | 40 Ų | 40 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F21 I70 V89 E90 S95 E96 T97 | F21-A93 HydrophobicContact CE1-CB 4.28Å; F21-A93 HydrophobicContact CZ-CB 3.96Å; I70-A93 HydrophobicContact CD1-CB 3.49Å; I70-A93 VanDerWaalsContact CD1-CB 3.49Å; V89-A93 WeakPolarHBondContact O-CB 3.48Å; V89-A93 PolarHBondContact O-N 3.47Å; E90-A93 PolarHBondContact O-N 3.43Å; A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 3.08Å; A93-E96 PolarHBondContact O-N 3.01Å; A93-T97 WeakPolarHBondContact O-CG2 2.98Å |
| 94 | Y | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -30.6 | 174.9 | 178 | -117.3 | 0 | 0 | 0 | 113.5 | F21 E90 L91 T92 E96 T97 Y99 W101 F102 R161 F164 | F21-Y94 HydrophobicContact CB-CD2 3.55Å; F21-Y94 HydrophobicContact CB-CE2 3.93Å; F21-Y94 AromaticContact CD1-CD2 3.95Å; F21-Y94 HydrophobicContact CD1-CD2 3.95Å; F21-Y94 HydrophobicContact CD1-CG 4.39Å; F21-Y94 AromaticContact CG-CD2 3.88Å; F21-Y94 HydrophobicContact CG-CD2 3.88Å; E90-Y94 PolarHBondContact O-N 2.76Å; L91-Y94 PolarHBondContact O-N 2.81Å; T92-Y94 VanDerWaalsContact C-N 3.27Å; T92-Y94 PolarHBondContact O-N 3.48Å; Y94-E96 PolarHBondContact O-N 3.28Å; Y94-T97 PolarHBondContact O-N 3.37Å; Y94-T97 PolarHBondContact O-OG1 2.86Å; Y94-Y99 PolarHBondContact OH-O 2.91Å; Y94-W101 WeakPolarHBondContact CE2-O 3.21Å; Y94-F102 HydrophobicContact CD1-CB 3.72Å; Y94-F102 HydrophobicContact CD1-CD2 4.32Å; Y94-F102 HydrophobicContact CD1-CG 4.25Å; Y94-F102 HydrophobicContact CD2-CB 3.88Å; Y94-F102 HydrophobicContact CD2-CD2 4.22Å; Y94-F102 HydrophobicContact CE1-CB 3.64Å; Y94-F102 HydrophobicContact CE2-CB 3.77Å; Y94-F102 HydrophobicContact CG-CB 3.84Å; Y94-F102 AromaticContact CG-CD2 3.88Å; Y94-F102 HydrophobicContact CG-CD2 3.88Å; Y94-F102 HydrophobicContact CG-CG 4.22Å; Y94-R161 VanDerWaalsContact CE2-CZ 3.5Å; Y94-R161 VanDerWaalsContact CZ-NH2 3.27Å; Y94-R161 PolarHBondContact O-NH1 3.11Å; Y94-R161 PolarHBondContact O-NH2 2.89Å; Y94-R161 WeakPolarHBondContact OH-CA 3.48Å; Y94-R161 WeakPolarHBondContact OH-CB 3.5Å; Y94-R161 PolarHBondContact OH-NE 3.2Å; Y94-R161 VanDerWaalsContact OH-NE 3.11Å; Y94-F164 HydrophobicContact CD1-CB 4.43Å; Y94-F164 AromaticContact CD1-CD1 3.7Å; Y94-F164 HydrophobicContact CD1-CD1 3.7Å; Y94-F164 AromaticContact CD1-CD2 3.68Å; Y94-F164 HydrophobicContact CD1-CD2 3.68Å; Y94-F164 AromaticContact CD1-CE1 3.71Å; Y94-F164 HydrophobicContact CD1-CE1 3.71Å; Y94-F164 AromaticContact CD1-CE2 3.7Å; Y94-F164 HydrophobicContact CD1-CE2 3.7Å; Y94-F164 AromaticContact CD1-CG 3.66Å; Y94-F164 HydrophobicContact CD1-CG 3.66Å; Y94-F164 AromaticContact CD1-CZ 3.68Å; Y94-F164 HydrophobicContact CD1-CZ 3.68Å; Y94-F164 HydrophobicContact CE1-CB 3.78Å; Y94-F164 AromaticContact CE1-CD1 3.53Å; Y94-F164 HydrophobicContact CE1-CD1 3.53Å; Y94-F164 AromaticContact CE1-CD2 3.91Å; Y94-F164 HydrophobicContact CE1-CD2 3.91Å; Y94-F164 HydrophobicContact CE1-CE1 4.01Å; Y94-F164 HydrophobicContact CE1-CE2 4.35Å; Y94-F164 AromaticContact CE1-CG 3.44Å; Y94-F164 HydrophobicContact CE1-CG 3.44Å; Y94-F164 VanDerWaalsContact CE1-CG 3.44Å; Y94-F164 HydrophobicContact CE1-CZ 4.37Å |
| 95 | S | 95.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 26% | 0.259 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -29.5 | 178 | 67 | 0 | 0 | 0 | 0 | 113.9 | L91 T92 A93 T97 | L91-S95 PolarHBondContact O-N 3.43Å; T92-S95 PolarHBondContact O-N 3.19Å; T92-S95 VanDerWaalsContact O-N 3.07Å; T92-S95 PolarHBondContact O-OG 3.39Å; A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 3.08Å; S95-T97 PolarHBondContact O-N 2.86Å |
| 96 | E | 95.5 | Very high | 96.1 | Very high | 157 Ų | 157 | 34.1 Ų | 34.1 | 73% | 0.734 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 9.3 | 179.2 | -54.2 | -47.5 | 119.4 | 0 | 0 | 113.1 | A93 Y94 | A93-E96 PolarHBondContact O-N 3.01Å; Y94-E96 PolarHBondContact O-N 3.28Å |
| 97 | T | 95.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 34.1 Ų | 34.1 | 17% | 0.172 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -124 | 167.4 | -176.7 | 72.9 | 0 | 0 | 0 | 0 | 112.1 | F21 A93 Y94 S95 Y99 R161 | F21-T97 HydrophobicContact CD2-CG2 4.03Å; F21-T97 HydrophobicContact CE2-CG2 3.96Å; A93-T97 WeakPolarHBondContact O-CG2 2.98Å; Y94-T97 PolarHBondContact O-N 3.37Å; Y94-T97 PolarHBondContact O-OG1 2.86Å; S95-T97 PolarHBondContact O-N 2.86Å; T97-Y99 VanDerWaalsContact CB-CD2 3.5Å; T97-Y99 HydrophobicContact CG2-CD2 3.93Å; T97-Y99 HydrophobicContact CG2-CE2 4.18Å; T97-Y99 WeakPolarHBondContact OG1-CD2 3.43Å; T97-R161 VanDerWaalsContact O-CZ 3.29Å; T97-R161 PolarHBondContact O-NH1 2.95Å; T97-R161 PolarHBondContact O-NH2 3.23Å; T97-R161 PolarHBondContact OG1-NH2 3.09Å |
| 98 | N | 94.1 | Very high | 96.3 | Very high | 147 Ų | 147 | 34.3 Ų | 34.3 | 79% | 0.786 | 19% | 0.186 | S | C | * | . | trans | -105.9 | 12.3 | 175.5 | -67.1 | -50 | 0 | 0 | 0 | 113.9 | ||||
| 99 | Y | 96.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 32.2 Ų | 32.2 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | trans | -57.2 | 138.4 | 179.5 | -76.3 | -79.3 | 0 | 0 | 0 | 113.1 | R17 N18 V20 F21 D48 N49 Y94 T97 W101 R161 | R17-Y99 WeakPolarHBondContact O-CE1 3.37Å; R17-Y99 PolarHBondContact O-OH 3.12Å; N18-Y99 WeakPolarHBondContact O-CA 3.49Å; V20-Y99 WeakPolarHBondContact O-CD1 3.49Å; V20-Y99 WeakPolarHBondContact O-CE1 3.43Å; F21-Y99 HydrophobicContact CB-CD1 4.31Å; F21-Y99 HydrophobicContact CB-CD2 3.62Å; F21-Y99 HydrophobicContact CB-CE2 4.26Å; F21-Y99 HydrophobicContact CB-CG 3.69Å; F21-Y99 AromaticContact CD2-CD2 3.61Å; F21-Y99 HydrophobicContact CD2-CD2 3.61Å; F21-Y99 AromaticContact CD2-CE2 3.6Å; F21-Y99 HydrophobicContact CD2-CE2 3.6Å; F21-Y99 HydrophobicContact CE2-CE2 4.5Å; F21-Y99 HydrophobicContact CG-CD2 4.06Å; F21-Y99 HydrophobicContact CG-CE2 4.42Å; D48-Y99 PolarHBondContact O-OH 3.12Å; D48-Y99 VanDerWaalsContact O-OH 3.1Å; N49-Y99 WeakPolarHBondContact ND2-CE1 3.4Å; Y94-Y99 PolarHBondContact OH-O 2.91Å; T97-Y99 VanDerWaalsContact CB-CD2 3.5Å; T97-Y99 HydrophobicContact CG2-CD2 3.93Å; T97-Y99 HydrophobicContact CG2-CE2 4.18Å; T97-Y99 WeakPolarHBondContact OG1-CD2 3.43Å; Y99-W101 VanDerWaalsContact C-N 3.3Å; Y99-W101 PolarHBondContact O-N 2.65Å; Y99-R161 VanDerWaalsContact O-CZ 3.26Å; Y99-R161 PolarHBondContact O-NE 2.8Å; Y99-R161 PolarHBondContact O-NH2 3.46Å | ||
| 100 | R | 96.7 | Very high | 96.6 | Very high | 106 Ų | 106 | 30.7 Ų | 30.7 | 40% | 0.4 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -68.8 | -30.2 | 179 | -58.4 | -169.9 | -60.4 | 173.7 | 0.3 | 113 | N18 D19 D121 A125 R161 | N18-R100 PolarHBondContact O-N 2.67Å; D19-R100 WeakPolarHBondContact O-CB 3.43Å; D19-R100 PolarHBondContact O-N 3.16Å; D19-R100 VanDerWaalsContact O-N 3.09Å; D19-R100 IonicContact OD1-CZ 3.66Å; D19-R100 VanDerWaalsContact OD1-CZ 3.24Å; D19-R100 IonicContact OD1-NE 3.26Å; D19-R100 PolarHBondContact OD1-NE 3.05Å; D19-R100 IonicContact OD1-NH2 2.61Å; D19-R100 PolarHBondContact OD1-NH2 3.24Å; D19-R100 IonicContact OD2-NH2 3.81Å; R100-D121 IonicContact NH2-OD1 3.49Å; R100-D121 PolarHBondContact NH2-OD1 3.02Å; R100-D121 VanDerWaalsContact NH2-OD1 3.14Å; R100-A125 HydrophobicContact CB-CB 3.9Å; R100-R161 WeakPolarHBondContact O-CB 3.48Å; R100-R161 PolarHBondContact O-N 3.33Å |
| 101 | W | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.1 | -175.9 | -64.6 | 100.3 | 0 | 0 | 0 | 112 | D19 V20 F21 Y94 Y99 L120 M123 A125 H129 I131 L159 S160 | D19-W101 PolarHBondContact O-N 3.39Å; V20-W101 WeakPolarHBondContact CA-O 3.49Å; V20-W101 HydrophobicContact CB-CB 4.09Å; V20-W101 HydrophobicContact CG2-CB 3.89Å; F21-W101 PolarHBondContact N-O 3.05Å; Y94-W101 WeakPolarHBondContact CE2-O 3.21Å; Y99-W101 VanDerWaalsContact C-N 3.3Å; Y99-W101 PolarHBondContact O-N 2.65Å; W101-L120 HydrophobicContact CB-CD1 3.98Å; W101-L120 HydrophobicContact CD2-CB 4.39Å; W101-L120 HydrophobicContact CD2-CD1 4.35Å; W101-L120 HydrophobicContact CD2-CD2 3.72Å; W101-L120 HydrophobicContact CD2-CG 4.35Å; W101-L120 HydrophobicContact CE3-CD2 3.69Å; W101-L120 HydrophobicContact CG-CB 4.4Å; W101-L120 HydrophobicContact CG-CD1 3.91Å; W101-L120 HydrophobicContact CG-CD2 4.17Å; W101-L120 HydrophobicContact CG-CG 4.37Å; W101-L120 HydrophobicContact CH2-CD2 4.34Å; W101-L120 HydrophobicContact CZ2-CD2 4.36Å; W101-L120 HydrophobicContact CZ3-CD2 4.01Å; W101-M123 HydrophobicContact CH2-CB 4.04Å; W101-M123 HydrophobicContact CH2-CE 3.91Å; W101-M123 HydrophobicContact CZ2-CB 3.97Å; W101-M123 HydrophobicContact CZ2-CE 4.33Å; W101-A125 HydrophobicContact CD2-CB 4.5Å; W101-A125 HydrophobicContact CZ2-CB 3.94Å; W101-H129 HydrophobicContact CH2-CB 3.7Å; W101-H129 AromaticContact CH2-CD2 3.6Å; W101-H129 AromaticContact CH2-CG 3.85Å; W101-H129 HydrophobicContact CZ3-CB 3.63Å; W101-I131 HydrophobicContact CH2-CD1 4.03Å; W101-I131 HydrophobicContact CZ3-CD1 3.63Å; W101-L159 WeakPolarHBondContact CA-O 3.49Å; W101-S160 VanDerWaalsContact CE3-CA 3.47Å |
| 102 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.9 | 164 | 167.8 | -100.2 | 0 | 0 | 0 | 108.5 | F21 T23 E90 L91 Y94 H104 F157 C158 L159 | F21-F102 AromaticContact CD1-CD2 3.96Å; F21-F102 HydrophobicContact CD1-CD2 3.96Å; F21-F102 HydrophobicContact CD1-CE2 4.34Å; F21-F102 CarbonylContact O-C 3.58Å; F21-F102 WeakPolarHBondContact O-CA 3.38Å; T23-F102 HydrophobicContact CG2-CE2 3.82Å; E90-F102 HydrophobicContact CB-CE2 4.01Å; E90-F102 HydrophobicContact CB-CZ 3.97Å; L91-F102 HydrophobicContact CD2-CD1 4.05Å; L91-F102 HydrophobicContact CD2-CE1 3.79Å; L91-F102 HydrophobicContact CD2-CE2 4.46Å; L91-F102 HydrophobicContact CD2-CG 4.49Å; L91-F102 HydrophobicContact CD2-CZ 4.02Å; Y94-F102 HydrophobicContact CD1-CB 3.72Å; Y94-F102 HydrophobicContact CD1-CD2 4.32Å; Y94-F102 HydrophobicContact CD1-CG 4.25Å; Y94-F102 HydrophobicContact CD2-CB 3.88Å; Y94-F102 HydrophobicContact CD2-CD2 4.22Å; Y94-F102 HydrophobicContact CE1-CB 3.64Å; Y94-F102 HydrophobicContact CE2-CB 3.77Å; Y94-F102 HydrophobicContact CG-CB 3.84Å; Y94-F102 AromaticContact CG-CD2 3.88Å; Y94-F102 HydrophobicContact CG-CD2 3.88Å; Y94-F102 HydrophobicContact CG-CG 4.22Å; F102-H104 HydrophobicContact CE1-CB 3.96Å; F102-H104 HydrophobicContact CZ-CB 4.02Å; F102-F157 HydrophobicContact CD1-CE2 4.35Å; F102-F157 AromaticContact CE1-CE2 3.81Å; F102-F157 HydrophobicContact CE1-CE2 3.81Å; F102-F157 HydrophobicContact CE1-CZ 4.21Å; F102-C158 CarbonylContact O-C 3.49Å; F102-C158 WeakPolarHBondContact O-CA 3.3Å; F102-C158 WeakPolarHBondContact O-CB 3.42Å; F102-L159 HydrophobicContact CB-CB 4.38Å; F102-L159 HydrophobicContact CD1-CB 4.36Å; F102-L159 HydrophobicContact CD1-CD1 3.86Å; F102-L159 HydrophobicContact CD1-CG 4.17Å; F102-L159 HydrophobicContact CE1-CD1 4.43Å; F102-L159 PolarHBondContact N-O 2.94Å; F102-L159 PolarHBondContact O-N 3.37Å |
| 103 | C | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.2 | 168.1 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | V20 F21 I22 T23 F105 F157 C158 | V20-C103 HydrophobicContact CG2-CB 4.28Å; F21-C103 PolarHBondContact O-N 3.3Å; I22-C103 WeakPolarHBondContact CA-O 3.45Å; I22-C103 HydrophobicContact CG1-CB 4.42Å; T23-C103 PolarHBondContact N-O 3.14Å; T23-C103 PolarHBondContact OG1-O 3.23Å; C103-F105 HydrophobicContact CB-CD2 4.49Å; C103-F105 HydrophobicContact CB-CE2 3.75Å; C103-F105 HydrophobicContact CB-CZ 4.37Å; C103-F157 CarbonylContact C-O 3.48Å; C103-F157 VanDerWaalsContact CA-O 3.27Å; C103-F157 WeakPolarHBondContact CA-O 3.48Å; C103-C158 HydrophobicContact CB-CB 4.15Å; C103-C158 WeakPolarHBondContact CB-SG 3.37Å; C103-C158 WeakPolarHBondContact SG-CB 3.45Å; C103-C158 CovalentContact SG-SG 2.05Å; C103-C158 PolarHBondContact SG-SG 3.07Å |
| 104 | H | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137.5 | 175.6 | 171.6 | 77.6 | 0 | 0 | 0 | 110.2 | K25 E90 F102 D106 G156 F157 | K25-H104 PolarHBondContact NZ-CE1 3.47Å; K25-H104 PolarHBondContact NZ-NE2 2.94Å; K25-H104 VanDerWaalsContact NZ-NE2 3.14Å; E90-H104 VanDerWaalsContact CD-ND1 3.33Å; E90-H104 IonicContact OE1-CE1 3.14Å; E90-H104 PolarHBondContact OE1-CE1 2.64Å; E90-H104 IonicContact OE1-ND1 3.88Å; E90-H104 PolarHBondContact OE1-ND1 3.41Å; E90-H104 IonicContact OE2-CE1 3.54Å; E90-H104 PolarHBondContact OE2-CE1 2.69Å; E90-H104 IonicContact OE2-CG 2.64Å; E90-H104 IonicContact OE2-ND1 2.76Å; E90-H104 PolarHBondContact OE2-ND1 3.27Å; F102-H104 HydrophobicContact CE1-CB 3.96Å; F102-H104 HydrophobicContact CZ-CB 4.02Å; H104-D106 IonicContact CE1-OD1 3.85Å; H104-D106 IonicContact NE2-OD1 3.75Å; H104-G156 CarbonylContact O-C 3.42Å; H104-G156 WeakPolarHBondContact O-CA 3.11Å; H104-F157 HydrophobicContact CB-CD1 4.01Å; H104-F157 HydrophobicContact CB-CD2 4.42Å; H104-F157 HydrophobicContact CB-CE1 3.59Å; H104-F157 HydrophobicContact CB-CE2 4.05Å; H104-F157 HydrophobicContact CB-CG 4.4Å; H104-F157 HydrophobicContact CB-CZ 3.6Å; H104-F157 AromaticContact CD2-CD1 3.94Å; H104-F157 AromaticContact CD2-CE1 3.51Å; H104-F157 AromaticContact CG-CE1 3.67Å; H104-F157 PolarHBondContact N-O 3.22Å; H104-F157 PolarHBondContact O-N 3.08Å; H104-F157 VanDerWaalsContact O-N 3.11Å |
| 105 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.3 | 167.9 | -61.4 | -80 | 0 | 0 | 0 | 110.7 | I22 T23 V24 K25 C103 N109 V111 L116 F204 | I22-F105 HydrophobicContact CG2-CD2 3.77Å; I22-F105 HydrophobicContact CG2-CE2 4.06Å; T23-F105 PolarHBondContact O-N 3.27Å; V24-F105 CarbonylContact C-O 3.56Å; V24-F105 VanDerWaalsContact CA-O 3.32Å; V24-F105 WeakPolarHBondContact CA-O 3.45Å; K25-F105 PolarHBondContact N-O 2.87Å; C103-F105 HydrophobicContact CB-CD2 4.49Å; C103-F105 HydrophobicContact CB-CE2 3.75Å; C103-F105 HydrophobicContact CB-CZ 4.37Å; F105-N109 HydrophobicContact CB-CB 4.25Å; F105-N109 HydrophobicContact CD1-CB 4.47Å; F105-V111 HydrophobicContact CB-CG2 4.37Å; F105-V111 HydrophobicContact CD1-CG2 3.71Å; F105-V111 HydrophobicContact CD2-CG2 3.83Å; F105-V111 HydrophobicContact CE1-CG1 4.28Å; F105-V111 HydrophobicContact CE1-CG2 3.88Å; F105-V111 HydrophobicContact CE2-CG1 4.08Å; F105-V111 HydrophobicContact CE2-CG2 3.98Å; F105-V111 HydrophobicContact CG-CG2 3.68Å; F105-V111 HydrophobicContact CZ-CG1 3.84Å; F105-V111 HydrophobicContact CZ-CG2 4.01Å; F105-L116 HydrophobicContact CE2-CD2 4.1Å; F105-L116 HydrophobicContact CZ-CD2 4.07Å; F105-F204 HydrophobicContact CE1-CD1 4.11Å; F105-F204 HydrophobicContact CE1-CE1 4.03Å; F105-F204 HydrophobicContact CZ-CE1 4.17Å |
| 106 | D | 96.2 | Very high | 96.6 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 16% | 0.16 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 159.3 | 171.1 | -79.2 | -15.8 | 0 | 0 | 0 | 110.7 | K25 H104 D108 N109 G154 | K25-D106 WeakPolarHBondContact CE-OD1 3.49Å; K25-D106 IonicContact NZ-OD1 3.95Å; K25-D106 PolarHBondContact NZ-OD1 3.32Å; H104-D106 IonicContact CE1-OD1 3.85Å; H104-D106 IonicContact NE2-OD1 3.75Å; D106-D108 PolarHBondContact O-N 2.96Å; D106-D108 VanDerWaalsContact O-N 3.08Å; D106-N109 PolarHBondContact N-OD1 2.96Å; D106-N109 WeakPolarHBondContact O-CB 3.42Å; D106-N109 PolarHBondContact O-N 3.32Å; D106-G154 WeakPolarHBondContact OD2-CA 3.45Å |
| 107 | D | 96.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 4% | 0.043 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -10.5 | 177.7 | 65.8 | 17.2 | 0 | 0 | 0 | 115.3 | V24 K25 T26 F30 R34 I38 | V24-D107 HydrophobicContact CG1-CB 4.08Å; K25-D107 WeakPolarHBondContact O-CB 3.45Å; K25-D107 PolarHBondContact O-N 3.48Å; T26-D107 WeakPolarHBondContact CA-OD2 3.15Å; T26-D107 VanDerWaalsContact CB-OD2 3.3Å; T26-D107 WeakPolarHBondContact CB-OD2 3.43Å; T26-D107 PolarHBondContact OG1-OD2 2.93Å; F30-D107 WeakPolarHBondContact CB-OD2 3.19Å; F30-D107 WeakPolarHBondContact CD2-OD2 3.44Å; R34-D107 HydrophobicContact CB-CB 4.16Å; R34-D107 WeakPolarHBondContact CB-O 3.12Å; R34-D107 WeakPolarHBondContact CD-OD1 3.49Å; R34-D107 IonicContact CZ-OD1 3.04Å; R34-D107 IonicContact NE-OD1 3.8Å; R34-D107 IonicContact NH1-OD1 2.79Å; R34-D107 PolarHBondContact NH1-OD1 3.46Å; I38-D107 HydrophobicContact CD1-CB 4.47Å; I38-D107 WeakPolarHBondContact CD1-O 3.29Å |
| 108 | D | 94.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.059 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 7.5 | 173.2 | 75.5 | 20.2 | 0 | 0 | 0 | 113.8 | D106 H207 S227 H228 Y230 F238 | D106-D108 PolarHBondContact O-N 2.96Å; D106-D108 VanDerWaalsContact O-N 3.08Å; D108-H207 IonicContact OD2-CE1 3.84Å; D108-H207 IonicContact OD2-ND1 2.7Å; D108-H207 PolarHBondContact OD2-ND1 3.34Å; D108-S227 VanDerWaalsContact CG-OG 3.25Å; D108-S227 CarbonylContact O-C 3.55Å; D108-S227 VanDerWaalsContact O-CA 3.3Å; D108-S227 WeakPolarHBondContact O-CA 3.41Å; D108-S227 PolarHBondContact OD1-OG 3.24Å; D108-S227 PolarHBondContact OD2-OG 3.34Å; D108-H228 PolarHBondContact O-N 3.49Å; D108-Y230 HydrophobicContact CB-CD2 3.92Å; D108-Y230 HydrophobicContact CB-CE2 3.84Å; D108-F238 VanDerWaalsContact C-CZ 3.48Å; D108-F238 VanDerWaalsContact O-CZ 3.3Å; D108-F238 WeakPolarHBondContact O-CZ 3.01Å |
| 109 | N | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.6 | 176.8 | -60 | 148.6 | 0 | 0 | 0 | 113.7 | W42 F105 D106 G154 F226 S227 F238 | W42-N109 PolarHBondContact NE1-O 3.25Å; W42-N109 VanDerWaalsContact NE1-O 3.09Å; F105-N109 HydrophobicContact CB-CB 4.25Å; F105-N109 HydrophobicContact CD1-CB 4.47Å; D106-N109 PolarHBondContact N-OD1 2.96Å; D106-N109 WeakPolarHBondContact O-CB 3.42Å; D106-N109 PolarHBondContact O-N 3.32Å; N109-G154 PolarHBondContact ND2-O 2.85Å; N109-F226 WeakPolarHBondContact CA-O 3.42Å; N109-S227 WeakPolarHBondContact ND2-CA 3.25Å; N109-S227 WeakPolarHBondContact ND2-CB 3.33Å; N109-F238 VanDerWaalsContact C-CZ 3.45Å |
| 110 | Y | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.7 | 154.8 | 178.8 | -88.4 | 0 | 0 | 0 | 109.7 | W42 S225 F226 F238 L241 H242 L245 F246 | W42-Y110 HydrophobicContact CB-CD2 4.12Å; W42-Y110 HydrophobicContact CB-CE2 3.76Å; W42-Y110 AromaticContact CD1-CD2 3.49Å; W42-Y110 VanDerWaalsContact CD1-CD2 3.49Å; W42-Y110 HydrophobicContact CG-CD2 4.1Å; W42-Y110 HydrophobicContact CG-CE2 4.24Å; Y110-S225 CarbonylContact O-C 3.56Å; Y110-S225 VanDerWaalsContact O-CA 3.28Å; Y110-S225 WeakPolarHBondContact O-CA 3.31Å; Y110-F226 HydrophobicContact CD1-CD2 4.04Å; Y110-F226 PolarHBondContact N-O 3.12Å; Y110-F226 PolarHBondContact O-N 2.85Å; Y110-F238 HydrophobicContact CD2-CB 3.82Å; Y110-F238 HydrophobicContact CD2-CG 4.14Å; Y110-L241 HydrophobicContact CD1-CD2 3.73Å; Y110-L241 HydrophobicContact CD1-CG 4.21Å; Y110-L241 HydrophobicContact CG-CD2 3.74Å; Y110-L241 HydrophobicContact CG-CG 4.39Å; Y110-H242 HydrophobicContact CE2-CB 3.75Å; Y110-H242 AromaticContact CE2-ND1 3.48Å; Y110-H242 WeakPolarHBondContact CE2-ND1 3.44Å; Y110-H242 AromaticContact CZ-ND1 3.54Å; Y110-H242 PolarHBondContact OH-ND1 2.83Å; Y110-L245 HydrophobicContact CD1-CD1 4.24Å; Y110-L245 HydrophobicContact CE1-CD1 3.53Å; Y110-F246 WeakPolarHBondContact OH-CE2 3.48Å |
| 111 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.3 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 111 | W42 F105 L113 L116 I224 | W42-V111 HydrophobicContact CD2-CB 4.08Å; W42-V111 HydrophobicContact CD2-CG2 4.39Å; W42-V111 HydrophobicContact CE3-CB 3.95Å; W42-V111 HydrophobicContact CE3-CG2 4.37Å; W42-V111 HydrophobicContact CH2-CB 4.3Å; W42-V111 HydrophobicContact CH2-CG2 3.83Å; W42-V111 HydrophobicContact CZ2-CB 4.42Å; W42-V111 HydrophobicContact CZ2-CG2 3.85Å; W42-V111 HydrophobicContact CZ3-CB 4.06Å; W42-V111 HydrophobicContact CZ3-CG2 4.09Å; F105-V111 HydrophobicContact CB-CG2 4.37Å; F105-V111 HydrophobicContact CD1-CG2 3.71Å; F105-V111 HydrophobicContact CD2-CG2 3.83Å; F105-V111 HydrophobicContact CE1-CG1 4.28Å; F105-V111 HydrophobicContact CE1-CG2 3.88Å; F105-V111 HydrophobicContact CE2-CG1 4.08Å; F105-V111 HydrophobicContact CE2-CG2 3.98Å; F105-V111 HydrophobicContact CG-CG2 3.68Å; F105-V111 HydrophobicContact CZ-CG1 3.84Å; F105-V111 HydrophobicContact CZ-CG2 4.01Å; V111-L113 HydrophobicContact CB-CD2 4.31Å; V111-L113 HydrophobicContact CG1-CD2 3.78Å; V111-L113 HydrophobicContact CG1-CG 4.46Å; V111-L113 PolarHBondContact O-N 3.04Å; V111-L113 VanDerWaalsContact O-N 3.12Å; V111-L116 HydrophobicContact CG1-CD2 3.97Å; V111-I224 CarbonylContact C-O 3.55Å; V111-I224 WeakPolarHBondContact CA-O 3.44Å |
| 112 | N | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -79.3 | 87.7 | 169 | -179.6 | -4.9 | 0 | 0 | 0 | 109.6 | F114 V115 L116 R221 Q223 I224 F246 | N112-F114 PolarHBondContact O-N 3.41Å; N112-F114 PolarHBondContact OD1-N 3.22Å; N112-V115 VanDerWaalsContact ND2-CG2 3.27Å; N112-V115 WeakPolarHBondContact ND2-CG2 3.47Å; N112-V115 PolarHBondContact O-N 3.34Å; N112-L116 PolarHBondContact O-N 3.11Å; N112-L116 VanDerWaalsContact O-N 3.07Å; N112-R221 PolarHBondContact ND2-O 3.2Å; N112-R221 VanDerWaalsContact ND2-O 3.14Å; N112-Q223 VanDerWaalsContact CB-O 3.24Å; N112-Q223 WeakPolarHBondContact CB-O 3.1Å; N112-Q223 PolarHBondContact ND2-O 3.22Å; N112-I224 PolarHBondContact N-O 3.44Å; N112-F246 WeakPolarHBondContact OD1-CZ 3.28Å | ||
| 113 | L | 95.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -26.4 | -174.7 | -66.9 | 177.4 | 0 | 0 | 0 | 113.9 | L12 I22 W42 L45 A46 I50 V111 L116 R117 | L12-L113 HydrophobicContact CD1-CB 4.31Å; I22-L113 HydrophobicContact CD1-CD2 3.46Å; I22-L113 VanDerWaalsContact CD1-CD2 3.46Å; W42-L113 HydrophobicContact CE3-CD1 4.13Å; W42-L113 HydrophobicContact CE3-CD2 4.33Å; W42-L113 HydrophobicContact CE3-CG 4.29Å; W42-L113 HydrophobicContact CZ3-CD2 4.41Å; L45-L113 HydrophobicContact CB-CD1 3.74Å; A46-L113 HydrophobicContact CB-CD1 3.64Å; I50-L113 HydrophobicContact CD1-CD1 4.23Å; V111-L113 HydrophobicContact CB-CD2 4.31Å; V111-L113 HydrophobicContact CG1-CD2 3.78Å; V111-L113 HydrophobicContact CG1-CG 4.46Å; V111-L113 PolarHBondContact O-N 3.04Å; V111-L113 VanDerWaalsContact O-N 3.12Å; L113-L116 HydrophobicContact CD2-CD2 4.09Å; L113-R117 WeakPolarHBondContact O-CB 3.45Å; L113-R117 WeakPolarHBondContact O-CG 3.35Å; L113-R117 PolarHBondContact O-N 3.36Å |
| 114 | F | 93.9 | Very high | 96 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 177 | -61.7 | -87.8 | 0 | 0 | 0 | 112.1 | W7 F9 L12 L45 N112 E118 F246 | W7-F114 HydrophobicContact CB-CD1 4.41Å; W7-F114 HydrophobicContact CB-CE1 3.94Å; W7-F114 HydrophobicContact CB-CE2 4.44Å; W7-F114 HydrophobicContact CB-CZ 3.95Å; W7-F114 HydrophobicContact CD2-CD1 4.46Å; W7-F114 HydrophobicContact CD2-CD2 4.49Å; W7-F114 HydrophobicContact CD2-CG 4.3Å; W7-F114 HydrophobicContact CE3-CB 3.4Å; W7-F114 VanDerWaalsContact CE3-CB 3.4Å; W7-F114 AromaticContact CE3-CD1 3.57Å; W7-F114 HydrophobicContact CE3-CD1 3.57Å; W7-F114 AromaticContact CE3-CD2 3.94Å; W7-F114 HydrophobicContact CE3-CD2 3.94Å; W7-F114 HydrophobicContact CE3-CE1 4.26Å; W7-F114 AromaticContact CE3-CG 3.37Å; W7-F114 HydrophobicContact CE3-CG 3.37Å; W7-F114 HydrophobicContact CH2-CB 4.3Å; W7-F114 HydrophobicContact CZ3-CB 3.23Å; W7-F114 HydrophobicContact CZ3-CD1 4.28Å; W7-F114 HydrophobicContact CZ3-CD2 4.44Å; W7-F114 AromaticContact CZ3-CG 3.79Å; W7-F114 HydrophobicContact CZ3-CG 3.79Å; F9-F114 HydrophobicContact CD1-CE2 4.13Å; F9-F114 AromaticContact CD1-CZ 3.54Å; F9-F114 HydrophobicContact CD1-CZ 3.54Å; F9-F114 HydrophobicContact CD2-CZ 4.43Å; F9-F114 AromaticContact CE1-CE2 3.75Å; F9-F114 HydrophobicContact CE1-CE2 3.75Å; F9-F114 AromaticContact CE1-CZ 3.55Å; F9-F114 HydrophobicContact CE1-CZ 3.55Å; F9-F114 HydrophobicContact CE2-CZ 4.44Å; F9-F114 AromaticContact CG-CZ 3.97Å; F9-F114 HydrophobicContact CG-CZ 3.97Å; F9-F114 HydrophobicContact CZ-CE2 4.26Å; F9-F114 AromaticContact CZ-CZ 4Å; F9-F114 HydrophobicContact CZ-CZ 4Å; L12-F114 HydrophobicContact CB-CE1 4.35Å; L12-F114 HydrophobicContact CD1-CB 4.46Å; L12-F114 HydrophobicContact CD1-CD1 3.24Å; L12-F114 HydrophobicContact CD1-CD2 3.68Å; L12-F114 HydrophobicContact CD1-CE1 3.14Å; L12-F114 HydrophobicContact CD1-CE2 3.58Å; L12-F114 HydrophobicContact CD1-CG 3.51Å; L12-F114 HydrophobicContact CD1-CZ 3.31Å; L12-F114 HydrophobicContact CD2-CD1 4.02Å; L12-F114 HydrophobicContact CD2-CE1 4.44Å; L12-F114 HydrophobicContact CG-CD1 3.43Å; L12-F114 VanDerWaalsContact CG-CD1 3.43Å; L12-F114 HydrophobicContact CG-CE1 3.38Å; L12-F114 HydrophobicContact CG-CG 4.14Å; L12-F114 HydrophobicContact CG-CZ 4.04Å; L45-F114 HydrophobicContact CD1-CE2 4.23Å; N112-F114 PolarHBondContact O-N 3.41Å; N112-F114 PolarHBondContact OD1-N 3.22Å; F114-E118 WeakPolarHBondContact O-CB 3.08Å; F114-E118 PolarHBondContact O-N 3.46Å; F114-F246 AromaticContact CD2-CE1 3.78Å; F114-F246 HydrophobicContact CD2-CE1 3.78Å; F114-F246 HydrophobicContact CD2-CE2 4.25Å; F114-F246 AromaticContact CD2-CZ 3.56Å; F114-F246 HydrophobicContact CD2-CZ 3.56Å; F114-F246 HydrophobicContact CE2-CD1 4.32Å; F114-F246 AromaticContact CE2-CE1 3.88Å; F114-F246 HydrophobicContact CE2-CE1 3.88Å; F114-F246 HydrophobicContact CE2-CE2 4.29Å; F114-F246 AromaticContact CE2-CZ 3.87Å; F114-F246 HydrophobicContact CE2-CZ 3.87Å |
| 115 | V | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -75 | -35.7 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | W7 N112 E118 L119 R221 Q222 I224 | W7-V115 HydrophobicContact CH2-CG2 4.1Å; N112-V115 VanDerWaalsContact ND2-CG2 3.27Å; N112-V115 WeakPolarHBondContact ND2-CG2 3.47Å; N112-V115 PolarHBondContact O-N 3.34Å; V115-E118 PolarHBondContact O-N 2.94Å; V115-L119 WeakPolarHBondContact O-CB 3.1Å; V115-L119 PolarHBondContact O-N 3.27Å; V115-R221 WeakPolarHBondContact CG2-O 3.41Å; V115-Q222 WeakPolarHBondContact CG1-O 3.11Å; V115-I224 HydrophobicContact CB-CG1 4.29Å; V115-I224 HydrophobicContact CG1-CD1 4.44Å; V115-I224 HydrophobicContact CG1-CG1 3.69Å |
| 116 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -52.6 | 173.6 | 179.1 | 60 | 0 | 0 | 0 | 110.3 | I22 F105 V111 N112 L113 L119 L120 F204 I224 | I22-L116 HydrophobicContact CD1-CD2 4.13Å; F105-L116 HydrophobicContact CE2-CD2 4.1Å; F105-L116 HydrophobicContact CZ-CD2 4.07Å; V111-L116 HydrophobicContact CG1-CD2 3.97Å; N112-L116 PolarHBondContact O-N 3.11Å; N112-L116 VanDerWaalsContact O-N 3.07Å; L113-L116 HydrophobicContact CD2-CD2 4.09Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 2.87Å; L116-L120 HydrophobicContact CD1-CD1 4.21Å; L116-L120 HydrophobicContact CD1-CG 4.3Å; L116-L120 HydrophobicContact CG-CD1 4.21Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 2.79Å; L116-F204 HydrophobicContact CD1-CZ 4.42Å; L116-I224 HydrophobicContact CB-CG2 4.14Å; L116-I224 HydrophobicContact CD1-CG2 3.92Å |
| 117 | R | 94.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 179.5 | -72.9 | -170.4 | -179.5 | 176.8 | -1 | 112.7 | L12 T15 N49 L113 L119 L120 D121 | L12-R117 PolarHBondContact O-NH1 3.45Å; T15-R117 PolarHBondContact OG1-NH1 2.96Å; N49-R117 PolarHBondContact OD1-NH2 3.34Å; L113-R117 WeakPolarHBondContact O-CB 3.45Å; L113-R117 WeakPolarHBondContact O-CG 3.35Å; L113-R117 PolarHBondContact O-N 3.36Å; R117-L119 VanDerWaalsContact C-N 3.26Å; R117-L119 PolarHBondContact O-N 2.92Å; R117-L120 PolarHBondContact O-N 2.9Å; R117-L120 VanDerWaalsContact O-N 3.08Å; R117-D121 WeakPolarHBondContact O-CB 3.32Å; R117-D121 PolarHBondContact O-N 3.45Å |
| 118 | E | 94 | Very high | 96 | Very high | 88 Ų | 88 | 34 Ų | 34 | 41% | 0.411 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.6 | -40.3 | 174.8 | 177.3 | 176.7 | -171.7 | 0 | 0 | 112.5 | K5 F114 V115 A122 | K5-E118 IonicContact NZ-OE1 3.6Å; K5-E118 PolarHBondContact NZ-OE1 3.18Å; K5-E118 IonicContact NZ-OE2 3.45Å; K5-E118 PolarHBondContact NZ-OE2 3.49Å; F114-E118 WeakPolarHBondContact O-CB 3.08Å; F114-E118 PolarHBondContact O-N 3.46Å; V115-E118 PolarHBondContact O-N 2.94Å; E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 2.89Å |
| 119 | L | 96.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -50.3 | 173.8 | 170 | 63.2 | 0 | 0 | 0 | 111 | V115 L116 R117 A122 M123 I131 I201 F204 I224 | V115-L119 WeakPolarHBondContact O-CB 3.1Å; V115-L119 PolarHBondContact O-N 3.27Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 2.87Å; R117-L119 VanDerWaalsContact C-N 3.26Å; R117-L119 PolarHBondContact O-N 2.92Å; L119-A122 PolarHBondContact O-N 3.13Å; L119-M123 HydrophobicContact CD1-CE 3.95Å; L119-M123 HydrophobicContact CD1-SD 4.41Å; L119-M123 HydrophobicContact CG-CE 3.91Å; L119-M123 VanDerWaalsContact O-CE 3.23Å; L119-M123 WeakPolarHBondContact O-CE 3.27Å; L119-I131 HydrophobicContact CD2-CG2 4.07Å; L119-I201 HydrophobicContact CD1-CD1 4.29Å; L119-I201 HydrophobicContact CD2-CG1 4.29Å; L119-I201 HydrophobicContact CD2-CG2 4.2Å; L119-F204 HydrophobicContact CD2-CE2 4.27Å; L119-I224 HydrophobicContact CB-CD1 4.38Å; L119-I224 HydrophobicContact CD2-CD1 3.41Å; L119-I224 VanDerWaalsContact CD2-CD1 3.41Å |
| 120 | L | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | -176.4 | -65.8 | -177.5 | 0 | 0 | 0 | 112.6 | V20 W101 L116 R117 A122 M123 I131 C158 | V20-L120 HydrophobicContact CB-CD1 4.12Å; V20-L120 HydrophobicContact CG2-CD1 3.86Å; W101-L120 HydrophobicContact CB-CD1 3.98Å; W101-L120 HydrophobicContact CD2-CB 4.39Å; W101-L120 HydrophobicContact CD2-CD1 4.35Å; W101-L120 HydrophobicContact CD2-CD2 3.72Å; W101-L120 HydrophobicContact CD2-CG 4.35Å; W101-L120 HydrophobicContact CE3-CD2 3.69Å; W101-L120 HydrophobicContact CG-CB 4.4Å; W101-L120 HydrophobicContact CG-CD1 3.91Å; W101-L120 HydrophobicContact CG-CD2 4.17Å; W101-L120 HydrophobicContact CG-CG 4.37Å; W101-L120 HydrophobicContact CH2-CD2 4.34Å; W101-L120 HydrophobicContact CZ2-CD2 4.36Å; W101-L120 HydrophobicContact CZ3-CD2 4.01Å; L116-L120 HydrophobicContact CD1-CD1 4.21Å; L116-L120 HydrophobicContact CD1-CG 4.3Å; L116-L120 HydrophobicContact CG-CD1 4.21Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 2.79Å; R117-L120 PolarHBondContact O-N 2.9Å; R117-L120 VanDerWaalsContact O-N 3.08Å; L120-A122 PolarHBondContact O-N 2.86Å; L120-M123 HydrophobicContact CD2-CE 4.02Å; L120-M123 PolarHBondContact O-N 3.11Å; L120-M123 VanDerWaalsContact O-N 3.08Å; L120-I131 HydrophobicContact CD2-CD1 4.17Å; L120-C158 HydrophobicContact CD2-CB 4.29Å |
| 121 | D | 93.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 35.3 Ų | 35.3 | 48% | 0.481 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65 | -27.2 | 177.5 | -81.2 | -28.5 | 0 | 0 | 0 | 113 | R100 R117 M123 | R100-D121 IonicContact NH2-OD1 3.49Å; R100-D121 PolarHBondContact NH2-OD1 3.02Å; R100-D121 VanDerWaalsContact NH2-OD1 3.14Å; R117-D121 WeakPolarHBondContact O-CB 3.32Å; R117-D121 PolarHBondContact O-N 3.45Å; D121-M123 PolarHBondContact O-N 2.92Å |
| 122 | A | 95.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 70% | 0.702 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -0.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E118 L119 L120 | E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 2.89Å; L119-A122 PolarHBondContact O-N 3.13Å; L120-A122 PolarHBondContact O-N 2.86Å |
| 123 | M | 95.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -125.8 | 146 | -178.4 | -64.5 | 177.8 | -62.9 | 0 | 0 | 111.7 | W101 L119 L120 D121 A125 I131 K199 | W101-M123 HydrophobicContact CH2-CB 4.04Å; W101-M123 HydrophobicContact CH2-CE 3.91Å; W101-M123 HydrophobicContact CZ2-CB 3.97Å; W101-M123 HydrophobicContact CZ2-CE 4.33Å; L119-M123 HydrophobicContact CD1-CE 3.95Å; L119-M123 HydrophobicContact CD1-SD 4.41Å; L119-M123 HydrophobicContact CG-CE 3.91Å; L119-M123 VanDerWaalsContact O-CE 3.23Å; L119-M123 WeakPolarHBondContact O-CE 3.27Å; L120-M123 HydrophobicContact CD2-CE 4.02Å; L120-M123 PolarHBondContact O-N 3.11Å; L120-M123 VanDerWaalsContact O-N 3.08Å; D121-M123 PolarHBondContact O-N 2.92Å; M123-A125 PolarHBondContact O-N 2.66Å; M123-I131 HydrophobicContact CE-CD1 3.2Å; M123-I131 HydrophobicContact CE-CG1 4.31Å; M123-I131 HydrophobicContact SD-CD1 3.81Å; M123-I131 HydrophobicContact SD-CG1 4.44Å; M123-K199 HydrophobicContact SD-CD 4.14Å; M123-K199 PolarHBondContact SD-NZ 3.3Å |
| 124 | D | 95.6 | Very high | 96.3 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | trans | -80.6 | 110.4 | 174.4 | -173.8 | -9.4 | 0 | 0 | 0 | 110.4 | R126 G127 H129 | D124-R126 PolarHBondContact O-N 2.05Å; D124-R126 VanDerWaalsContact OD1-CB 3.26Å; D124-R126 WeakPolarHBondContact OD1-CB 2.97Å; D124-R126 WeakPolarHBondContact OD1-CG 3.11Å; D124-R126 IonicContact OD1-CZ 3.17Å; D124-R126 PolarHBondContact OD1-N 2.85Å; D124-R126 IonicContact OD1-NE 3.82Å; D124-R126 PolarHBondContact OD1-NE 3.02Å; D124-R126 IonicContact OD1-NH2 2.78Å; D124-R126 IonicContact OD2-CZ 2.63Å; D124-R126 VanDerWaalsContact OD2-CZ 3.26Å; D124-R126 IonicContact OD2-NE 3.27Å; D124-R126 PolarHBondContact OD2-NE 3.27Å; D124-R126 IonicContact OD2-NH2 2.92Å; D124-R126 PolarHBondContact OD2-NH2 2.95Å; D124-G127 PolarHBondContact O-N 3.08Å; D124-H129 PolarHBondContact O-CD2 3.09Å; D124-H129 PolarHBondContact O-NE2 3.15Å; D124-H129 VanDerWaalsContact O-NE2 3.07Å | ||
| 125 | A | 95.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 42 Ų | 42 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -9.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R100 W101 M123 G127 S160 A162 | R100-A125 HydrophobicContact CB-CB 3.9Å; W101-A125 HydrophobicContact CD2-CB 4.5Å; W101-A125 HydrophobicContact CZ2-CB 3.94Å; M123-A125 PolarHBondContact O-N 2.66Å; A125-G127 VanDerWaalsContact C-N 3.3Å; A125-S160 WeakPolarHBondContact O-CB 3.42Å; A125-A162 WeakPolarHBondContact O-CB 3.43Å |
| 126 | R | 96.3 | Very high | 95.9 | Very high | 202 Ų | 202 | 44.2 Ų | 44.2 | 76% | 0.762 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.8 | 170.8 | -59.5 | 173.8 | -64.8 | 179.9 | 3.9 | 112.9 | D124 A162 | D124-R126 PolarHBondContact O-N 2.05Å; D124-R126 VanDerWaalsContact OD1-CB 3.26Å; D124-R126 WeakPolarHBondContact OD1-CB 2.97Å; D124-R126 WeakPolarHBondContact OD1-CG 3.11Å; D124-R126 IonicContact OD1-CZ 3.17Å; D124-R126 PolarHBondContact OD1-N 2.85Å; D124-R126 IonicContact OD1-NE 3.82Å; D124-R126 PolarHBondContact OD1-NE 3.02Å; D124-R126 IonicContact OD1-NH2 2.78Å; D124-R126 IonicContact OD2-CZ 2.63Å; D124-R126 VanDerWaalsContact OD2-CZ 3.26Å; D124-R126 IonicContact OD2-NE 3.27Å; D124-R126 PolarHBondContact OD2-NE 3.27Å; D124-R126 IonicContact OD2-NH2 2.92Å; D124-R126 PolarHBondContact OD2-NH2 2.95Å; R126-A162 WeakPolarHBondContact O-CB 3.48Å |
| 127 | G | 97.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 25% | 0.247 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -82.2 | 162.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | D124 A125 H129 S160 | D124-G127 PolarHBondContact O-N 3.08Å; A125-G127 VanDerWaalsContact C-N 3.3Å; G127-H129 PolarHBondContact O-CD2 3.26Å; G127-H129 PolarHBondContact O-N 3.06Å; G127-S160 WeakPolarHBondContact O-CB 3.38Å; G127-S160 PolarHBondContact O-OG 3Å |
| 128 | D | 98.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 57.9 Ų | 57.9 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | trans | -82 | 95.5 | 177.7 | -68.3 | -15.2 | 0 | 0 | 0 | 110.7 | L163 K166 A196 | D128-L163 HydrophobicContact CB-CB 4.41Å; D128-L163 HydrophobicContact CB-CD1 4.25Å; D128-K166 WeakPolarHBondContact OD1-CD 3.44Å; D128-K166 WeakPolarHBondContact OD1-CE 3.34Å; D128-K166 IonicContact OD1-NZ 2.87Å; D128-K166 PolarHBondContact OD1-NZ 2.84Å; D128-K166 IonicContact OD2-NZ 3.85Å; D128-K166 PolarHBondContact OD2-NZ 2.82Å; D128-A196 HydrophobicContact CB-CB 4.18Å | ||
| 129 | H | 98.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | trans | -117.7 | 114.3 | -175.6 | -63.6 | -55.6 | 0 | 0 | 0 | 111 | W101 D124 G127 I131 L159 S160 L163 | W101-H129 HydrophobicContact CH2-CB 3.7Å; W101-H129 AromaticContact CH2-CD2 3.6Å; W101-H129 AromaticContact CH2-CG 3.85Å; W101-H129 HydrophobicContact CZ3-CB 3.63Å; D124-H129 PolarHBondContact O-CD2 3.09Å; D124-H129 PolarHBondContact O-NE2 3.15Å; D124-H129 VanDerWaalsContact O-NE2 3.07Å; G127-H129 PolarHBondContact O-CD2 3.26Å; G127-H129 PolarHBondContact O-N 3.06Å; H129-I131 HydrophobicContact CB-CD1 4.02Å; H129-I131 HydrophobicContact CB-CG1 4.27Å; H129-L159 CarbonylContact O-C 3.41Å; H129-L159 VanDerWaalsContact O-CA 3.28Å; H129-L159 WeakPolarHBondContact O-CA 3.41Å; H129-S160 PolarHBondContact N-OG 3.26Å; H129-S160 PolarHBondContact O-N 3.05Å; H129-L163 VanDerWaalsContact C-CD2 3.45Å; H129-L163 WeakPolarHBondContact O-CD2 3.32Å | ||
| 130 | Y | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.2 | 162.6 | 173.8 | -144.2 | 0 | 0 | 0 | 107.9 | A151 F157 C158 L159 V191 L198 K199 | Y130-A151 HydrophobicContact CE2-CB 4.09Å; Y130-A151 WeakPolarHBondContact OH-CB 3.3Å; Y130-A151 PolarHBondContact OH-N 3.25Å; Y130-F157 HydrophobicContact CD2-CD2 4.27Å; Y130-F157 HydrophobicContact CE2-CB 3.92Å; Y130-F157 AromaticContact CE2-CD2 3.67Å; Y130-F157 HydrophobicContact CE2-CD2 3.67Å; Y130-F157 HydrophobicContact CE2-CE2 4.39Å; Y130-F157 AromaticContact CE2-CG 3.87Å; Y130-F157 HydrophobicContact CE2-CG 3.87Å; Y130-C158 WeakPolarHBondContact CA-O 3.27Å; Y130-L159 HydrophobicContact CD2-CD2 3.51Å; Y130-L159 HydrophobicContact CE2-CD2 4.29Å; Y130-L159 HydrophobicContact CG-CD2 4.07Å; Y130-V191 HydrophobicContact CD1-CB 4.13Å; Y130-V191 HydrophobicContact CD1-CG1 3.83Å; Y130-V191 HydrophobicContact CD1-CG2 3.9Å; Y130-V191 HydrophobicContact CE1-CG2 4.39Å; Y130-V191 HydrophobicContact CG-CG1 4.27Å; Y130-V191 HydrophobicContact CG-CG2 4Å; Y130-L198 HydrophobicContact CD1-CB 3.92Å; Y130-L198 HydrophobicContact CD1-CD1 3.81Å; Y130-L198 HydrophobicContact CD2-CD1 4.44Å; Y130-L198 HydrophobicContact CE1-CB 4.13Å; Y130-L198 HydrophobicContact CE1-CD1 3.82Å; Y130-L198 HydrophobicContact CE2-CD1 4.44Å; Y130-L198 HydrophobicContact CG-CD1 4.15Å; Y130-K199 WeakPolarHBondContact O-CB 3.31Å; Y130-K199 PolarHBondContact O-N 3.02Å |
| 131 | I | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.6 | -165.8 | -58.9 | 153.3 | 0 | 0 | 0 | 110 | W101 L119 L120 M123 H129 F157 C158 K199 I201 F204 | W101-I131 HydrophobicContact CH2-CD1 4.03Å; W101-I131 HydrophobicContact CZ3-CD1 3.63Å; L119-I131 HydrophobicContact CD2-CG2 4.07Å; L120-I131 HydrophobicContact CD2-CD1 4.17Å; M123-I131 HydrophobicContact CE-CD1 3.2Å; M123-I131 HydrophobicContact CE-CG1 4.31Å; M123-I131 HydrophobicContact SD-CD1 3.81Å; M123-I131 HydrophobicContact SD-CG1 4.44Å; H129-I131 HydrophobicContact CB-CD1 4.02Å; H129-I131 HydrophobicContact CB-CG1 4.27Å; I131-F157 CarbonylContact O-C 3.59Å; I131-F157 WeakPolarHBondContact O-CA 3.31Å; I131-F157 VanDerWaalsContact O-CB 3.26Å; I131-F157 WeakPolarHBondContact O-CB 3.41Å; I131-C158 HydrophobicContact CB-CB 4.48Å; I131-C158 PolarHBondContact N-O 3.16Å; I131-C158 PolarHBondContact O-N 2.72Å; I131-K199 WeakPolarHBondContact CA-O 3.37Å; I131-K199 HydrophobicContact CG1-CB 4.37Å; I131-I201 HydrophobicContact CG2-CB 4.24Å; I131-I201 HydrophobicContact CG2-CG1 3.54Å; I131-F204 HydrophobicContact CG2-CE2 4.06Å; I131-F204 HydrophobicContact CG2-CZ 4.37Å |
| 132 | G | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -179.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K199 E200 I201 | G132-K199 PolarHBondContact N-O 3.4Å; G132-E200 WeakPolarHBondContact O-CA 3.31Å; G132-I201 PolarHBondContact O-N 3.43Å |
| 133 | K | 96.9 | Very high | 93.5 | Very high | 41 Ų | 41 | 72.3 Ų | 72.3 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | trans | -84.1 | 133.9 | 171.6 | -176 | 170 | -178.1 | 159.7 | 0 | 109.9 | A151 T152 D202 F204 E209 | K133-A151 CarbonylContact O-C 3.57Å; K133-A151 WeakPolarHBondContact O-CA 3.46Å; K133-T152 PolarHBondContact O-N 2.7Å; K133-T152 PolarHBondContact O-OG1 2.87Å; K133-D202 WeakPolarHBondContact CD-OD1 3.38Å; K133-D202 WeakPolarHBondContact CE-OD1 3.31Å; K133-D202 IonicContact NZ-OD1 3.27Å; K133-D202 PolarHBondContact NZ-OD1 3.04Å; K133-F204 HydrophobicContact CB-CB 3.99Å; K133-F204 WeakPolarHBondContact CB-O 3.45Å; K133-F204 WeakPolarHBondContact CD-O 3.41Å; K133-E209 WeakPolarHBondContact CD-OE1 3.48Å; K133-E209 VanDerWaalsContact CE-OE1 3.3Å; K133-E209 WeakPolarHBondContact CE-OE1 3.03Å; K133-E209 IonicContact NZ-OE1 3.8Å; K133-E209 PolarHBondContact NZ-OE1 2.97Å; K133-E209 IonicContact NZ-OE2 3.92Å; K133-E209 PolarHBondContact NZ-OE2 2.69Å | ||
| 134 | R | 95.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 76.6 Ų | 76.6 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 134.6 | 178.7 | 172.9 | -170.8 | -77.8 | -111.4 | 8.2 | 110.9 | S136 S149 L198 E200 | R134-S136 WeakPolarHBondContact CD-O 3.34Å; R134-S136 WeakPolarHBondContact CG-O 3.2Å; R134-S149 PolarHBondContact NH1-OG 3.11Å; R134-S149 PolarHBondContact NH2-OG 3.21Å; R134-S149 VanDerWaalsContact NH2-OG 3.14Å; R134-L198 HydrophobicContact CB-CD2 4.01Å; R134-E200 HydrophobicContact CB-CG 4.11Å; R134-E200 WeakPolarHBondContact CB-OE2 3.11Å; R134-E200 WeakPolarHBondContact CD-OE2 3.25Å; R134-E200 IonicContact CZ-OE1 2.73Å; R134-E200 IonicContact CZ-OE2 3.24Å; R134-E200 IonicContact NE-OE1 3.03Å; R134-E200 PolarHBondContact NE-OE1 3.02Å; R134-E200 IonicContact NE-OE2 3.66Å; R134-E200 PolarHBondContact NE-OE2 2.91Å; R134-E200 IonicContact NH2-OE1 2.81Å; R134-E200 PolarHBondContact NH2-OE1 2.84Å; R134-E200 IonicContact NH2-OE2 3.77Å |
| 135 | S | 93.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 73.8 Ų | 73.8 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -75.5 | -35 | 179.5 | 179.8 | 0 | 0 | 0 | 0 | 114.6 | F150 T152 | S135-F150 PolarHBondContact N-O 3.33Å; S135-F150 WeakPolarHBondContact OG-CE2 3.2Å; S135-T152 WeakPolarHBondContact CA-OG1 3.39Å; S135-T152 PolarHBondContact N-OG1 3.38Å |
| 136 | S | 89 | Confident | 91.8 | Very high | 47 Ų | 47 | 76.2 Ų | 76.2 | 33% | 0.329 | 38% | 0.376 | S | S | . | . | trans | -145.8 | 145.5 | -178.9 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | R134 H138 | R134-S136 WeakPolarHBondContact CD-O 3.34Å; R134-S136 WeakPolarHBondContact CG-O 3.2Å; S136-H138 PolarHBondContact O-N 3.49Å; S136-H138 PolarHBondContact OG-N 2.84Å | ||
| 137 | N | 87.6 | Confident | 91.7 | Very high | 146 Ų | 146 | 69.3 Ų | 69.3 | 78% | 0.781 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -60.8 | -25.7 | 173.1 | -69.9 | -19.3 | 0 | 0 | 0 | 112.2 | ||
| 138 | H | 90.1 | Very high | 91.5 | Very high | 149 Ų | 149 | 68.6 Ų | 68.6 | 69% | 0.69 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -89.5 | 132.1 | 178 | -56.4 | -64.3 | 0 | 0 | 0 | 111.3 | S136 | S136-H138 PolarHBondContact O-N 3.49Å; S136-H138 PolarHBondContact OG-N 2.84Å |
| 139 | R | 92.4 | Very high | 91.5 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 140.3 | 169.6 | -65.5 | 175.1 | 80.2 | 164.6 | 4.7 | 109.1 | N141 P147 F148 | R139-N141 PolarHBondContact O-N 2.03Å; R139-P147 HydrophobicContact CB-CB 3.94Å; R139-P147 PolarHBondContact NE-O 3.2Å; R139-P147 PolarHBondContact NH2-O 2.96Å; R139-F148 CarbonylContact C-O 3.57Å; R139-F148 WeakPolarHBondContact CA-O 3.02Å |
| 140 | K | 90.5 | Very high | 91.4 | Very high | 83 Ų | 83 | 65.9 Ų | 65.9 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 123.4 | 171 | -172.6 | 64 | 174.6 | -178.6 | 0 | 108.7 | P147 F148 F150 F181 V185 | K140-P147 CarbonylContact O-C 3.49Å; K140-P147 VanDerWaalsContact O-CA 3.26Å; K140-P147 WeakPolarHBondContact O-CA 3.34Å; K140-F148 HydrophobicContact CB-CD1 4.35Å; K140-F148 HydrophobicContact CB-CD2 4.24Å; K140-F148 HydrophobicContact CB-CE1 3.95Å; K140-F148 HydrophobicContact CB-CE2 3.83Å; K140-F148 HydrophobicContact CB-CG 4.49Å; K140-F148 HydrophobicContact CB-CZ 3.67Å; K140-F148 HydrophobicContact CG-CE1 3.93Å; K140-F148 HydrophobicContact CG-CE2 4.15Å; K140-F148 HydrophobicContact CG-CZ 3.57Å; K140-F148 PolarHBondContact N-O 3.06Å; K140-F148 PolarHBondContact O-N 3.47Å; K140-F150 HydrophobicContact CB-CD1 4.48Å; K140-F150 HydrophobicContact CB-CE1 4.28Å; K140-F181 HydrophobicContact CG-CZ 4.23Å; K140-V185 HydrophobicContact CG-CG1 4.16Å |
| 141 | N | 88.3 | Confident | 91.3 | Very high | 121 Ų | 121 | 65.9 Ų | 65.9 | 65% | 0.647 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 138.4 | 170.6 | -66.7 | -32 | 0 | 0 | 0 | 109.6 | R139 P147 | R139-N141 PolarHBondContact O-N 2.03Å; N141-P147 WeakPolarHBondContact OD1-CB 3.46Å; N141-P147 WeakPolarHBondContact OD1-CG 3.46Å |
| 142 | D | 84.8 | Confident | 91.2 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.8 | 171.2 | -172.7 | -111.2 | 0 | 0 | 0 | 111 | H144 A145 F148 Q179 F189 | D142-H144 PolarHBondContact O-N 2.74Å; D142-H144 WeakPolarHBondContact OD1-CA 3.41Å; D142-H144 WeakPolarHBondContact OD1-CB 3.4Å; D142-H144 IonicContact OD1-CD2 3.01Å; D142-H144 IonicContact OD1-CG 2.98Å; D142-H144 PolarHBondContact OD1-N 3.44Å; D142-A145 HydrophobicContact CB-CB 4.41Å; D142-F148 HydrophobicContact CB-CE1 4.32Å; D142-Q179 PolarHBondContact OD1-NE2 3.4Å; D142-Q179 VanDerWaalsContact OD1-NE2 3.16Å; D142-Q179 VanDerWaalsContact OD2-CD 3.25Å; D142-Q179 PolarHBondContact OD2-NE2 3.45Å; D142-Q179 PolarHBondContact OD2-OE1 3.01Å; D142-F189 HydrophobicContact CB-CD2 4.5Å; D142-F189 HydrophobicContact CB-CE2 4.33Å; D142-F189 WeakPolarHBondContact OD1-CE2 3.31Å |
| 143 | K | 82.3 | Confident | 90.9 | Very high | 199 Ų | 199 | 66.6 Ų | 66.6 | 87% | 0.865 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -21.5 | 179.4 | -66.7 | -175.5 | 179.3 | -176.9 | 0 | 113.1 | ||
| 144 | H | 81.4 | Confident | 90.7 | Very high | 113 Ų | 113 | 65.3 Ų | 65.3 | 52% | 0.523 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 5 | -172.4 | -54.9 | -63.3 | 0 | 0 | 0 | 113.5 | D142 F189 R193 | D142-H144 PolarHBondContact O-N 2.74Å; D142-H144 WeakPolarHBondContact OD1-CA 3.41Å; D142-H144 WeakPolarHBondContact OD1-CB 3.4Å; D142-H144 IonicContact OD1-CD2 3.01Å; D142-H144 IonicContact OD1-CG 2.98Å; D142-H144 PolarHBondContact OD1-N 3.44Å; H144-F189 HydrophobicContact CB-CZ 4.48Å; H144-R193 WeakPolarHBondContact O-CD 3.41Å; H144-R193 PolarHBondContact O-NH1 3.26Å |
| 145 | A | 82.6 | Confident | 90.7 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D142 F148 F189 S192 | D142-A145 HydrophobicContact CB-CB 4.41Å; A145-F148 HydrophobicContact CB-CD1 4.38Å; A145-F189 HydrophobicContact CB-CD2 3.82Å; A145-F189 HydrophobicContact CB-CE2 3.57Å; A145-S192 WeakPolarHBondContact CB-OG 3.5Å |
| 146 | A | 87.7 | Confident | 91 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 151 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F148 | A146-F148 WeakPolarHBondContact O-CD1 3.45Å; A146-F148 PolarHBondContact O-N 3.3Å |
| 147 | P | 93.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49 | 133.9 | 175 | -28.1 | 35 | 0 | 0 | 0 | 110.8 | R139 K140 N141 | R139-P147 HydrophobicContact CB-CB 3.94Å; R139-P147 PolarHBondContact NE-O 3.2Å; R139-P147 PolarHBondContact NH2-O 2.96Å; K140-P147 CarbonylContact O-C 3.49Å; K140-P147 VanDerWaalsContact O-CA 3.26Å; K140-P147 WeakPolarHBondContact O-CA 3.34Å; N141-P147 WeakPolarHBondContact OD1-CB 3.46Å; N141-P147 WeakPolarHBondContact OD1-CG 3.46Å |
| 148 | F | 94.4 | Very high | 92 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156 | -172.8 | 64.2 | -89.8 | 0 | 0 | 0 | 112.7 | R139 K140 D142 A145 A146 F150 F181 V185 G188 F189 | R139-F148 CarbonylContact C-O 3.57Å; R139-F148 WeakPolarHBondContact CA-O 3.02Å; K140-F148 HydrophobicContact CB-CD1 4.35Å; K140-F148 HydrophobicContact CB-CD2 4.24Å; K140-F148 HydrophobicContact CB-CE1 3.95Å; K140-F148 HydrophobicContact CB-CE2 3.83Å; K140-F148 HydrophobicContact CB-CG 4.49Å; K140-F148 HydrophobicContact CB-CZ 3.67Å; K140-F148 HydrophobicContact CG-CE1 3.93Å; K140-F148 HydrophobicContact CG-CE2 4.15Å; K140-F148 HydrophobicContact CG-CZ 3.57Å; K140-F148 PolarHBondContact N-O 3.06Å; K140-F148 PolarHBondContact O-N 3.47Å; D142-F148 HydrophobicContact CB-CE1 4.32Å; A145-F148 HydrophobicContact CB-CD1 4.38Å; A146-F148 WeakPolarHBondContact O-CD1 3.45Å; A146-F148 PolarHBondContact O-N 3.3Å; F148-F150 HydrophobicContact CE2-CD1 4.27Å; F148-F181 HydrophobicContact CZ-CE2 4.13Å; F148-V185 HydrophobicContact CE2-CG1 4.23Å; F148-V185 HydrophobicContact CZ-CG1 4.19Å; F148-G188 WeakPolarHBondContact CD2-O 3.43Å; F148-G188 VanDerWaalsContact CE2-C 3.47Å; F148-F189 HydrophobicContact CE1-CB 4.13Å; F148-F189 AromaticContact CE1-CD2 3.86Å; F148-F189 HydrophobicContact CE1-CD2 3.86Å; F148-F189 HydrophobicContact CE2-CB 4.1Å; F148-F189 HydrophobicContact CZ-CB 3.65Å; F148-F189 HydrophobicContact CZ-CD2 4.17Å; F148-F189 HydrophobicContact CZ-CG 4.43Å |
| 149 | S | 96.8 | Very high | 92.4 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 12% | 0.119 | 22% | 0.224 | C | C | . | . | trans | -106 | 149.9 | 171.7 | -57.9 | 0 | 0 | 0 | 0 | 109 | R134 | R134-S149 PolarHBondContact NH1-OG 3.11Å; R134-S149 PolarHBondContact NH2-OG 3.21Å; R134-S149 VanDerWaalsContact NH2-OG 3.14Å | ||
| 150 | F | 96 | Very high | 92.6 | Very high | 23 Ų | 23 | 36.6 Ų | 36.6 | 10% | 0.101 | 20% | 0.197 | C | C | . | . | trans | -133 | 148.7 | -179.9 | 57.9 | -82.9 | 0 | 0 | 0 | 109.7 | S135 K140 F148 D184 V185 | S135-F150 PolarHBondContact N-O 3.33Å; S135-F150 WeakPolarHBondContact OG-CE2 3.2Å; K140-F150 HydrophobicContact CB-CD1 4.48Å; K140-F150 HydrophobicContact CB-CE1 4.28Å; F148-F150 HydrophobicContact CE2-CD1 4.27Å; F150-D184 HydrophobicContact CD2-CB 4.31Å; F150-V185 HydrophobicContact CD1-CG2 4.41Å; F150-V185 HydrophobicContact CD2-CG2 3.98Å; F150-V185 HydrophobicContact CE1-CG2 4.05Å; F150-V185 HydrophobicContact CE2-CG2 3.55Å; F150-V185 HydrophobicContact CG-CG2 4.4Å; F150-V185 HydrophobicContact CZ-CG2 3.62Å | ||
| 151 | A | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 150.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y130 K133 G153 F157 D184 L198 | Y130-A151 HydrophobicContact CE2-CB 4.09Å; Y130-A151 WeakPolarHBondContact OH-CB 3.3Å; Y130-A151 PolarHBondContact OH-N 3.25Å; K133-A151 CarbonylContact O-C 3.57Å; K133-A151 WeakPolarHBondContact O-CA 3.46Å; A151-G153 PolarHBondContact O-N 3.18Å; A151-F157 HydrophobicContact CB-CB 3.68Å; A151-F157 HydrophobicContact CB-CG 4.45Å; A151-D184 WeakPolarHBondContact O-CB 3.46Å; A151-L198 HydrophobicContact CB-CD1 3.88Å |
| 152 | T | 95.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | trans | -66.8 | 113.5 | 170.2 | -52.4 | 0 | 0 | 0 | 0 | 109.6 | K133 S135 G154 A155 G156 | K133-T152 PolarHBondContact O-N 2.7Å; K133-T152 PolarHBondContact O-OG1 2.87Å; S135-T152 WeakPolarHBondContact CA-OG1 3.39Å; S135-T152 PolarHBondContact N-OG1 3.38Å; T152-G154 PolarHBondContact O-N 3.48Å; T152-A155 HydrophobicContact CG2-CB 4.19Å; T152-A155 PolarHBondContact O-N 3.05Å; T152-A155 VanDerWaalsContact O-N 3.07Å; T152-G156 PolarHBondContact O-N 2.65Å | ||
| 153 | G | 92.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -52.2 | -52.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A151 A155 G156 D184 | A151-G153 PolarHBondContact O-N 3.18Å; G153-A155 PolarHBondContact O-N 2.9Å; G153-A155 VanDerWaalsContact O-N 3.14Å; G153-G156 WeakPolarHBondContact O-CA 3.47Å; G153-G156 PolarHBondContact O-N 3.11Å; G153-D184 PolarHBondContact N-OD2 3.46Å; G153-D184 VanDerWaalsContact N-OD2 3.13Å |
| 154 | G | 93.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 18.8 Ų | 18.8 | 14% | 0.144 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -74 | 3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D106 N109 T152 | D106-G154 WeakPolarHBondContact OD2-CA 3.45Å; N109-G154 PolarHBondContact ND2-O 2.85Å; T152-G154 PolarHBondContact O-N 3.48Å |
| 155 | A | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -95.3 | -19.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T152 G153 F204 S225 | T152-A155 HydrophobicContact CG2-CB 4.19Å; T152-A155 PolarHBondContact O-N 3.05Å; T152-A155 VanDerWaalsContact O-N 3.07Å; G153-A155 PolarHBondContact O-N 2.9Å; G153-A155 VanDerWaalsContact O-N 3.14Å; A155-F204 HydrophobicContact CB-CB 3.93Å; A155-S225 WeakPolarHBondContact O-CB 3.5Å; A155-S225 PolarHBondContact O-OG 3.4Å |
| 156 | G | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | 88.8 | 160.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H104 T152 G153 F204 | H104-G156 CarbonylContact O-C 3.42Å; H104-G156 WeakPolarHBondContact O-CA 3.11Å; T152-G156 PolarHBondContact O-N 2.65Å; G153-G156 WeakPolarHBondContact O-CA 3.47Å; G153-G156 PolarHBondContact O-N 3.11Å; G156-F204 WeakPolarHBondContact O-CD1 3.44Å | ||
| 157 | F | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 164.2 | 177.9 | 65.5 | -95.8 | 0 | 0 | 0 | 110.7 | L87 F102 C103 H104 Y130 I131 A151 L159 M187 | L87-F157 HydrophobicContact CD1-CZ 3.99Å; F102-F157 HydrophobicContact CD1-CE2 4.35Å; F102-F157 AromaticContact CE1-CE2 3.81Å; F102-F157 HydrophobicContact CE1-CE2 3.81Å; F102-F157 HydrophobicContact CE1-CZ 4.21Å; C103-F157 CarbonylContact C-O 3.48Å; C103-F157 VanDerWaalsContact CA-O 3.27Å; C103-F157 WeakPolarHBondContact CA-O 3.48Å; H104-F157 HydrophobicContact CB-CD1 4.01Å; H104-F157 HydrophobicContact CB-CD2 4.42Å; H104-F157 HydrophobicContact CB-CE1 3.59Å; H104-F157 HydrophobicContact CB-CE2 4.05Å; H104-F157 HydrophobicContact CB-CG 4.4Å; H104-F157 HydrophobicContact CB-CZ 3.6Å; H104-F157 AromaticContact CD2-CD1 3.94Å; H104-F157 AromaticContact CD2-CE1 3.51Å; H104-F157 AromaticContact CG-CE1 3.67Å; H104-F157 PolarHBondContact N-O 3.22Å; H104-F157 PolarHBondContact O-N 3.08Å; H104-F157 VanDerWaalsContact O-N 3.11Å; Y130-F157 HydrophobicContact CD2-CD2 4.27Å; Y130-F157 HydrophobicContact CE2-CB 3.92Å; Y130-F157 AromaticContact CE2-CD2 3.67Å; Y130-F157 HydrophobicContact CE2-CD2 3.67Å; Y130-F157 HydrophobicContact CE2-CE2 4.39Å; Y130-F157 AromaticContact CE2-CG 3.87Å; Y130-F157 HydrophobicContact CE2-CG 3.87Å; I131-F157 CarbonylContact O-C 3.59Å; I131-F157 WeakPolarHBondContact O-CA 3.31Å; I131-F157 VanDerWaalsContact O-CB 3.26Å; I131-F157 WeakPolarHBondContact O-CB 3.41Å; A151-F157 HydrophobicContact CB-CB 3.68Å; A151-F157 HydrophobicContact CB-CG 4.45Å; F157-L159 HydrophobicContact CD2-CG 4.44Å; F157-L159 HydrophobicContact CE2-CD1 4.41Å; F157-L159 HydrophobicContact CE2-CG 4.33Å; F157-M187 HydrophobicContact CE1-CG 4.38Å; F157-M187 HydrophobicContact CE2-CE 4.25Å; F157-M187 HydrophobicContact CE2-CG 4.23Å; F157-M187 HydrophobicContact CZ-CG 3.77Å; F157-M187 HydrophobicContact CZ-SD 4.48Å |
| 158 | C | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | F102 C103 L120 Y130 I131 | F102-C158 CarbonylContact O-C 3.49Å; F102-C158 WeakPolarHBondContact O-CA 3.3Å; F102-C158 WeakPolarHBondContact O-CB 3.42Å; C103-C158 HydrophobicContact CB-CB 4.15Å; C103-C158 WeakPolarHBondContact CB-SG 3.37Å; C103-C158 WeakPolarHBondContact SG-CB 3.45Å; C103-C158 CovalentContact SG-SG 2.05Å; C103-C158 PolarHBondContact SG-SG 3.07Å; L120-C158 HydrophobicContact CD2-CB 4.29Å; Y130-C158 WeakPolarHBondContact CA-O 3.27Å; I131-C158 HydrophobicContact CB-CB 4.48Å; I131-C158 PolarHBondContact N-O 3.16Å; I131-C158 PolarHBondContact O-N 2.72Å |
| 159 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.4 | 174.6 | -58.9 | 170.3 | 0 | 0 | 0 | 109.9 | L91 W101 F102 H129 Y130 F157 L163 I167 M187 V191 | L91-L159 HydrophobicContact CD2-CD1 4.06Å; W101-L159 WeakPolarHBondContact CA-O 3.49Å; F102-L159 HydrophobicContact CB-CB 4.38Å; F102-L159 HydrophobicContact CD1-CB 4.36Å; F102-L159 HydrophobicContact CD1-CD1 3.86Å; F102-L159 HydrophobicContact CD1-CG 4.17Å; F102-L159 HydrophobicContact CE1-CD1 4.43Å; F102-L159 PolarHBondContact N-O 2.94Å; F102-L159 PolarHBondContact O-N 3.37Å; H129-L159 CarbonylContact O-C 3.41Å; H129-L159 VanDerWaalsContact O-CA 3.28Å; H129-L159 WeakPolarHBondContact O-CA 3.41Å; Y130-L159 HydrophobicContact CD2-CD2 3.51Å; Y130-L159 HydrophobicContact CE2-CD2 4.29Å; Y130-L159 HydrophobicContact CG-CD2 4.07Å; F157-L159 HydrophobicContact CD2-CG 4.44Å; F157-L159 HydrophobicContact CE2-CD1 4.41Å; F157-L159 HydrophobicContact CE2-CG 4.33Å; L159-L163 HydrophobicContact CD2-CD2 3.99Å; L159-I167 HydrophobicContact CD1-CD1 4.02Å; L159-M187 HydrophobicContact CD1-CE 3.52Å; L159-M187 HydrophobicContact CD2-CE 4.13Å; L159-M187 HydrophobicContact CG-CE 4.33Å; L159-V191 HydrophobicContact CD2-CG2 4.41Å |
| 160 | S | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 151.8 | 163.8 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | W101 A125 G127 H129 A162 L163 F164 | W101-S160 VanDerWaalsContact CE3-CA 3.47Å; A125-S160 WeakPolarHBondContact O-CB 3.42Å; G127-S160 WeakPolarHBondContact O-CB 3.38Å; G127-S160 PolarHBondContact O-OG 3Å; H129-S160 PolarHBondContact N-OG 3.26Å; H129-S160 PolarHBondContact O-N 3.05Å; S160-A162 PolarHBondContact O-N 2.82Å; S160-L163 PolarHBondContact O-N 3.14Å; S160-L163 PolarHBondContact OG-N 3.23Å; S160-F164 WeakPolarHBondContact O-CB 3.36Å; S160-F164 PolarHBondContact O-N 3.42Å |
| 161 | R | 97.5 | Very high | 94.8 | Very high | 37 Ų | 37 | 23.2 Ų | 23.2 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54 | -40.9 | 173.3 | -179.6 | 63.6 | 69.2 | 177.9 | 1.2 | 112 | Y94 T97 Y99 R100 L163 F164 N165 | Y94-R161 VanDerWaalsContact CE2-CZ 3.5Å; Y94-R161 VanDerWaalsContact CZ-NH2 3.27Å; Y94-R161 PolarHBondContact O-NH1 3.11Å; Y94-R161 PolarHBondContact O-NH2 2.89Å; Y94-R161 WeakPolarHBondContact OH-CA 3.48Å; Y94-R161 WeakPolarHBondContact OH-CB 3.5Å; Y94-R161 PolarHBondContact OH-NE 3.2Å; Y94-R161 VanDerWaalsContact OH-NE 3.11Å; T97-R161 VanDerWaalsContact O-CZ 3.29Å; T97-R161 PolarHBondContact O-NH1 2.95Å; T97-R161 PolarHBondContact O-NH2 3.23Å; T97-R161 PolarHBondContact OG1-NH2 3.09Å; Y99-R161 VanDerWaalsContact O-CZ 3.26Å; Y99-R161 PolarHBondContact O-NE 2.8Å; Y99-R161 PolarHBondContact O-NH2 3.46Å; R100-R161 WeakPolarHBondContact O-CB 3.48Å; R100-R161 PolarHBondContact O-N 3.33Å; R161-L163 PolarHBondContact O-N 3.45Å; R161-F164 WeakPolarHBondContact O-CB 3.01Å; R161-F164 PolarHBondContact O-N 3.49Å; R161-N165 WeakPolarHBondContact O-CB 3.44Å; R161-N165 PolarHBondContact O-N 3.37Å; R161-N165 PolarHBondContact O-OD1 3.29Å |
| 162 | A | 98 | Very high | 93.7 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 19% | 0.19 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A125 R126 S160 K166 | A125-A162 WeakPolarHBondContact O-CB 3.43Å; R126-A162 WeakPolarHBondContact O-CB 3.48Å; S160-A162 PolarHBondContact O-N 2.82Å; A162-K166 PolarHBondContact O-N 3.06Å |
| 163 | L | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.8 | -43.2 | 175.9 | -179.4 | 55.4 | 0 | 0 | 0 | 111.5 | D128 H129 L159 S160 R161 N165 K166 I167 V191 V194 A196 | D128-L163 HydrophobicContact CB-CB 4.41Å; D128-L163 HydrophobicContact CB-CD1 4.25Å; H129-L163 VanDerWaalsContact C-CD2 3.45Å; H129-L163 WeakPolarHBondContact O-CD2 3.32Å; L159-L163 HydrophobicContact CD2-CD2 3.99Å; S160-L163 PolarHBondContact O-N 3.14Å; S160-L163 PolarHBondContact OG-N 3.23Å; R161-L163 PolarHBondContact O-N 3.45Å; L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.44Å; L163-K166 WeakPolarHBondContact O-CB 3.38Å; L163-K166 PolarHBondContact O-N 2.84Å; L163-K166 VanDerWaalsContact O-N 3.07Å; L163-I167 HydrophobicContact CD1-CG2 4.19Å; L163-I167 PolarHBondContact O-N 3.09Å; L163-I167 VanDerWaalsContact O-N 3.08Å; L163-V191 HydrophobicContact CD2-CG1 4.26Å; L163-V191 HydrophobicContact CD2-CG2 4.14Å; L163-V194 HydrophobicContact CD1-CG2 3.64Å; L163-A196 HydrophobicContact CD1-CB 3.58Å; L163-A196 HydrophobicContact CD2-CB 4.31Å |
| 164 | F | 97.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53.4 | -48.4 | 176.7 | 172 | -102.8 | 0 | 0 | 0 | 111.8 | L91 Y94 S160 R161 K166 I167 M168 L171 | L91-F164 HydrophobicContact CB-CE2 4.05Å; L91-F164 HydrophobicContact CD2-CD2 4.05Å; L91-F164 HydrophobicContact CD2-CE2 3.88Å; L91-F164 VanDerWaalsContact O-CZ 3.27Å; L91-F164 WeakPolarHBondContact O-CZ 3.29Å; Y94-F164 HydrophobicContact CD1-CB 4.43Å; Y94-F164 AromaticContact CD1-CD1 3.7Å; Y94-F164 HydrophobicContact CD1-CD1 3.7Å; Y94-F164 AromaticContact CD1-CD2 3.68Å; Y94-F164 HydrophobicContact CD1-CD2 3.68Å; Y94-F164 AromaticContact CD1-CE1 3.71Å; Y94-F164 HydrophobicContact CD1-CE1 3.71Å; Y94-F164 AromaticContact CD1-CE2 3.7Å; Y94-F164 HydrophobicContact CD1-CE2 3.7Å; Y94-F164 AromaticContact CD1-CG 3.66Å; Y94-F164 HydrophobicContact CD1-CG 3.66Å; Y94-F164 AromaticContact CD1-CZ 3.68Å; Y94-F164 HydrophobicContact CD1-CZ 3.68Å; Y94-F164 HydrophobicContact CE1-CB 3.78Å; Y94-F164 AromaticContact CE1-CD1 3.53Å; Y94-F164 HydrophobicContact CE1-CD1 3.53Å; Y94-F164 AromaticContact CE1-CD2 3.91Å; Y94-F164 HydrophobicContact CE1-CD2 3.91Å; Y94-F164 HydrophobicContact CE1-CE1 4.01Å; Y94-F164 HydrophobicContact CE1-CE2 4.35Å; Y94-F164 AromaticContact CE1-CG 3.44Å; Y94-F164 HydrophobicContact CE1-CG 3.44Å; Y94-F164 VanDerWaalsContact CE1-CG 3.44Å; Y94-F164 HydrophobicContact CE1-CZ 4.37Å; S160-F164 WeakPolarHBondContact O-CB 3.36Å; S160-F164 PolarHBondContact O-N 3.42Å; R161-F164 WeakPolarHBondContact O-CB 3.01Å; R161-F164 PolarHBondContact O-N 3.49Å; F164-K166 PolarHBondContact O-N 2.69Å; F164-I167 WeakPolarHBondContact O-CG1 3.21Å; F164-I167 PolarHBondContact O-N 2.58Å; F164-I167 VanDerWaalsContact O-N 3.11Å; F164-M168 HydrophobicContact CE1-CE 3.84Å; F164-M168 HydrophobicContact CE2-CE 4.18Å; F164-M168 HydrophobicContact CZ-CE 3.31Å; F164-M168 HydrophobicContact CZ-SD 4.12Å; F164-M168 WeakPolarHBondContact O-CB 3.35Å; F164-M168 PolarHBondContact O-N 2.99Å; F164-L171 HydrophobicContact CE2-CD1 4.24Å |
| 165 | N | 96.9 | Very high | 89.2 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -32.9 | 179.2 | -70.1 | -9.1 | 0 | 0 | 0 | 112.6 | R161 L163 P169 | R161-N165 WeakPolarHBondContact O-CB 3.44Å; R161-N165 PolarHBondContact O-N 3.37Å; R161-N165 PolarHBondContact O-OD1 3.29Å; L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.44Å; N165-P169 WeakPolarHBondContact O-CD 2.91Å |
| 166 | K | 96.9 | Very high | 87 | Confident | 100 Ų | 100 | 46.2 Ų | 46.2 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.7 | -36.1 | 176.6 | -69.9 | 173.5 | 175.8 | 167.3 | 0 | 112.9 | D128 A162 L163 F164 P169 V194 | D128-K166 WeakPolarHBondContact OD1-CD 3.44Å; D128-K166 WeakPolarHBondContact OD1-CE 3.34Å; D128-K166 IonicContact OD1-NZ 2.87Å; D128-K166 PolarHBondContact OD1-NZ 2.84Å; D128-K166 IonicContact OD2-NZ 3.85Å; D128-K166 PolarHBondContact OD2-NZ 2.82Å; A162-K166 PolarHBondContact O-N 3.06Å; L163-K166 WeakPolarHBondContact O-CB 3.38Å; L163-K166 PolarHBondContact O-N 2.84Å; L163-K166 VanDerWaalsContact O-N 3.07Å; F164-K166 PolarHBondContact O-N 2.69Å; K166-P169 WeakPolarHBondContact O-CD 3.34Å; K166-V194 HydrophobicContact CB-CB 4.24Å; K166-V194 HydrophobicContact CB-CG1 4.06Å; K166-V194 HydrophobicContact CB-CG2 4.38Å; K166-V194 WeakPolarHBondContact O-CG1 3.5Å |
| 167 | I | 94.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -83.1 | -20.5 | 179.2 | 65.8 | 170.3 | 0 | 0 | 0 | 112.7 | L159 L163 F164 Y170 L171 M187 M190 V191 V194 | L159-I167 HydrophobicContact CD1-CD1 4.02Å; L163-I167 HydrophobicContact CD1-CG2 4.19Å; L163-I167 PolarHBondContact O-N 3.09Å; L163-I167 VanDerWaalsContact O-N 3.08Å; F164-I167 WeakPolarHBondContact O-CG1 3.21Å; F164-I167 PolarHBondContact O-N 2.58Å; F164-I167 VanDerWaalsContact O-N 3.11Å; I167-Y170 VanDerWaalsContact O-CB 3.31Å; I167-Y170 WeakPolarHBondContact O-CB 3.36Å; I167-Y170 PolarHBondContact O-N 2.8Å; I167-L171 PolarHBondContact O-N 2.82Å; I167-M187 HydrophobicContact CD1-CE 3.72Å; I167-M190 HydrophobicContact CB-CB 4.31Å; I167-M190 HydrophobicContact CG2-CB 4.34Å; I167-V191 HydrophobicContact CG2-CG2 4.49Å; I167-V194 HydrophobicContact CG2-CG1 4.16Å; I167-V194 HydrophobicContact CG2-CG2 3.69Å |
| 168 | M | 90.4 | Very high | 82.5 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.3 | -43.1 | -175.6 | -177.3 | 56.9 | 118.3 | 0 | 0 | 114.8 | F164 Y170 L171 V172 | F164-M168 HydrophobicContact CE1-CE 3.84Å; F164-M168 HydrophobicContact CE2-CE 4.18Å; F164-M168 HydrophobicContact CZ-CE 3.31Å; F164-M168 HydrophobicContact CZ-SD 4.12Å; F164-M168 WeakPolarHBondContact O-CB 3.35Å; F164-M168 PolarHBondContact O-N 2.99Å; M168-Y170 PolarHBondContact O-N 2.82Å; M168-Y170 VanDerWaalsContact O-N 3.09Å; M168-L171 WeakPolarHBondContact O-CB 3.07Å; M168-L171 PolarHBondContact O-N 3.44Å; M168-L171 HydrophobicContact SD-CB 4.04Å; M168-L171 HydrophobicContact SD-CD1 3.83Å; M168-V172 HydrophobicContact CG-CG2 4.21Å; M168-V172 PolarHBondContact O-N 2.87Å; M168-V172 HydrophobicContact SD-CG2 3.96Å |
| 169 | P | 88.4 | Confident | 80.8 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.9 | -28.2 | 175.2 | -27.1 | 36.5 | 0 | 0 | 0 | 114 | N165 K166 R173 | N165-P169 WeakPolarHBondContact O-CD 2.91Å; K166-P169 WeakPolarHBondContact O-CD 3.34Å; P169-R173 VanDerWaalsContact O-CB 3.25Å; P169-R173 WeakPolarHBondContact O-CB 3.42Å; P169-R173 WeakPolarHBondContact O-CD 3.48Å; P169-R173 WeakPolarHBondContact O-CG 3.3Å; P169-R173 PolarHBondContact O-N 2.88Å; P169-R173 VanDerWaalsContact O-N 3.07Å |
| 170 | Y | 84.3 | Confident | 79.8 | Confident | 56 Ų | 56 | 68 Ų | 68 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -76.7 | -33.1 | 176.5 | -61.2 | -84.8 | 0 | 0 | 0 | 112.5 | I167 M168 L175 R193 V194 | I167-Y170 VanDerWaalsContact O-CB 3.31Å; I167-Y170 WeakPolarHBondContact O-CB 3.36Å; I167-Y170 PolarHBondContact O-N 2.8Å; M168-Y170 PolarHBondContact O-N 2.82Å; M168-Y170 VanDerWaalsContact O-N 3.09Å; Y170-L175 HydrophobicContact CD1-CD2 4.2Å; Y170-L175 PolarHBondContact O-N 2.94Å; Y170-R193 HydrophobicContact CE1-CB 4.09Å; Y170-R193 HydrophobicContact CE2-CB 4.4Å; Y170-R193 PolarHBondContact OH-O 2.99Å; Y170-V194 HydrophobicContact CD2-CG1 4.26Å; Y170-V194 HydrophobicContact CE2-CG1 3.54Å |
| 171 | L | 80.7 | Confident | 79.2 | Confident | 42 Ų | 42 | 69 Ų | 69 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -50.6 | 172.2 | -65.3 | 169.6 | 0 | 0 | 0 | 110.6 | L91 F164 I167 M168 G174 M190 | L91-L171 HydrophobicContact CB-CD1 3.93Å; L91-L171 HydrophobicContact CD1-CD1 3.69Å; L91-L171 HydrophobicContact CD1-CD2 3.67Å; L91-L171 HydrophobicContact CD1-CG 4.36Å; L91-L171 HydrophobicContact CG-CD1 4.31Å; F164-L171 HydrophobicContact CE2-CD1 4.24Å; I167-L171 PolarHBondContact O-N 2.82Å; M168-L171 WeakPolarHBondContact O-CB 3.07Å; M168-L171 PolarHBondContact O-N 3.44Å; M168-L171 HydrophobicContact SD-CB 4.04Å; M168-L171 HydrophobicContact SD-CD1 3.83Å; L171-G174 WeakPolarHBondContact O-CA 3.32Å; L171-G174 PolarHBondContact O-N 3.33Å; L171-M190 HydrophobicContact CD2-CE 3.61Å; L171-M190 HydrophobicContact CD2-SD 3.43Å; L171-M190 WeakPolarHBondContact CD2-SD 3.06Å; L171-M190 HydrophobicContact CG-CE 4.47Å; L171-M190 HydrophobicContact CG-SD 3.94Å |
| 172 | V | 75 | Confident | 78.8 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 70% | 0.697 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | -177.1 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | M168 G174 | M168-V172 HydrophobicContact CG-CG2 4.21Å; M168-V172 PolarHBondContact O-N 2.87Å; M168-V172 HydrophobicContact SD-CG2 3.96Å; V172-G174 PolarHBondContact O-N 3.03Å |
| 173 | R | 69.9 | Low | 78.4 | Confident | 206 Ų | 206 | 69 Ų | 69 | 78% | 0.777 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -1.2 | 173.2 | -71.1 | 172.8 | 68.5 | 150.8 | 4.1 | 112.7 | P169 L175 | P169-R173 VanDerWaalsContact O-CB 3.25Å; P169-R173 WeakPolarHBondContact O-CB 3.42Å; P169-R173 WeakPolarHBondContact O-CD 3.48Å; P169-R173 WeakPolarHBondContact O-CG 3.3Å; P169-R173 PolarHBondContact O-N 2.88Å; P169-R173 VanDerWaalsContact O-N 3.07Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-L175 PolarHBondContact O-N 3.38Å |
| 174 | G | 64.1 | Low | 78.1 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 49.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L171 V172 S176 | L171-G174 WeakPolarHBondContact O-CA 3.32Å; L171-G174 PolarHBondContact O-N 3.33Å; V172-G174 PolarHBondContact O-N 3.03Å; G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 VanDerWaalsContact O-CA 3.31Å; G174-S176 WeakPolarHBondContact O-CA 3.46Å; G174-S176 PolarHBondContact O-N 3.09Å |
| 175 | L | 53.1 | Low | 77.9 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | trans | -12.7 | 91.1 | -171 | -96 | 171.1 | 0 | 0 | 0 | 110.1 | Y170 R173 T177 M186 F189 M190 | Y170-L175 HydrophobicContact CD1-CD2 4.2Å; Y170-L175 PolarHBondContact O-N 2.94Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-L175 PolarHBondContact O-N 3.38Å; L175-T177 PolarHBondContact O-N 3.33Å; L175-M186 HydrophobicContact CD1-SD 4.01Å; L175-F189 HydrophobicContact CD1-CD1 3.97Å; L175-F189 HydrophobicContact CD1-CE1 3.84Å; L175-F189 HydrophobicContact CD2-CE1 4.23Å; L175-M190 HydrophobicContact CD1-CG 3.62Å; L175-M190 HydrophobicContact CD1-SD 4.15Å | ||
| 176 | S | 48.2 | Very low | 77.6 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | trans | -70.2 | 23.4 | -168 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | G174 | G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 VanDerWaalsContact O-CA 3.31Å; G174-S176 WeakPolarHBondContact O-CA 3.46Å; G174-S176 PolarHBondContact O-N 3.09Å | ||
| 177 | T | 49 | Very low | 77.4 | Confident | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | trans | -119.1 | 87.1 | -161.4 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | L175 Q179 | L175-T177 PolarHBondContact O-N 3.33Å; T177-Q179 PolarHBondContact O-N 3.08Å | ||
| 178 | R | 53.5 | Low | 77.4 | Confident | 257 Ų | 257 | 62 Ų | 62 | 97% | 0.97 | 32% | 0.323 | S | S | * | . | 41.5 | 5 | 127.5 | -62.8 | -173.3 | 178.4 | -167.8 | -0.6 | 121.6 | |||||
| 179 | Q | 63.9 | Low | 77.5 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | trans | -103.7 | 118.3 | 177 | -72.8 | 165.4 | 22.8 | 0 | 0 | 108 | R84 D142 T177 F181 | R84-Q179 PolarHBondContact NH1-O 3.2Å; D142-Q179 PolarHBondContact OD1-NE2 3.4Å; D142-Q179 VanDerWaalsContact OD1-NE2 3.16Å; D142-Q179 VanDerWaalsContact OD2-CD 3.25Å; D142-Q179 PolarHBondContact OD2-NE2 3.45Å; D142-Q179 PolarHBondContact OD2-OE1 3.01Å; T177-Q179 PolarHBondContact O-N 3.08Å; Q179-F181 HydrophobicContact CB-CD1 3.95Å; Q179-F181 HydrophobicContact CB-CD2 3.98Å; Q179-F181 HydrophobicContact CB-CE1 4.07Å; Q179-F181 HydrophobicContact CB-CE2 4.15Å; Q179-F181 HydrophobicContact CB-CG 3.89Å; Q179-F181 HydrophobicContact CB-CZ 4.17Å; Q179-F181 HydrophobicContact CG-CE1 4.29Å; Q179-F181 HydrophobicContact CG-CE2 4.38Å; Q179-F181 HydrophobicContact CG-CZ 4.15Å; Q179-F181 PolarHBondContact O-N 3.05Å | ||
| 180 | N | 77.3 | Confident | 77.7 | Confident | 122 Ų | 122 | 57.6 Ų | 57.6 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | trans | -72.3 | 37.4 | 171.9 | -164.5 | 37.7 | 0 | 0 | 0 | 111 | ||||
| 181 | F | 86.2 | Confident | 78.2 | Confident | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | trans | -65.1 | 133.9 | 178.4 | -77.2 | -5.2 | 0 | 0 | 0 | 109.4 | V80 R84 K140 F148 Q179 V185 F189 | V80-F181 WeakPolarHBondContact CG1-O 3.33Å; R84-F181 VanDerWaalsContact CD-O 3.3Å; R84-F181 WeakPolarHBondContact CD-O 3.49Å; K140-F181 HydrophobicContact CG-CZ 4.23Å; F148-F181 HydrophobicContact CZ-CE2 4.13Å; Q179-F181 HydrophobicContact CB-CD1 3.95Å; Q179-F181 HydrophobicContact CB-CD2 3.98Å; Q179-F181 HydrophobicContact CB-CE1 4.07Å; Q179-F181 HydrophobicContact CB-CE2 4.15Å; Q179-F181 HydrophobicContact CB-CG 3.89Å; Q179-F181 HydrophobicContact CB-CZ 4.17Å; Q179-F181 HydrophobicContact CG-CE1 4.29Å; Q179-F181 HydrophobicContact CG-CE2 4.38Å; Q179-F181 HydrophobicContact CG-CZ 4.15Å; Q179-F181 PolarHBondContact O-N 3.05Å; F181-V185 HydrophobicContact CB-CB 3.98Å; F181-V185 HydrophobicContact CB-CG1 3.98Å; F181-V185 HydrophobicContact CD1-CG1 3.93Å; F181-V185 HydrophobicContact CD2-CB 4.38Å; F181-V185 HydrophobicContact CD2-CG1 3.55Å; F181-V185 HydrophobicContact CE1-CG1 4.32Å; F181-V185 HydrophobicContact CE2-CG1 3.92Å; F181-V185 HydrophobicContact CG-CB 4.12Å; F181-V185 HydrophobicContact CG-CG1 3.54Å; F181-V185 HydrophobicContact CZ-CG1 4.31Å; F181-F189 HydrophobicContact CD2-CB 4.44Å; F181-F189 HydrophobicContact CE2-CB 4.39Å; F181-F189 HydrophobicContact CE2-CD2 4.33Å; F181-F189 HydrophobicContact CE2-CG 4.48Å | ||
| 182 | P | 88.8 | Confident | 78.8 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | trans | -50.9 | 161.9 | 159.6 | -25.3 | 35.6 | 0 | 0 | 0 | 111.8 | D184 V185 M186 | P182-D184 WeakPolarHBondContact CB-OD1 3.41Å; P182-D184 PolarHBondContact O-N 3.23Å; P182-V185 HydrophobicContact CB-CG2 4.28Å; P182-V185 HydrophobicContact CG-CG2 4.25Å; P182-V185 PolarHBondContact O-N 3.05Å; P182-M186 WeakPolarHBondContact O-CB 3.42Å; P182-M186 PolarHBondContact O-N 3.31Å | ||
| 183 | D | 89 | Confident | 79.6 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | -177.7 | 52.6 | -29.9 | 0 | 0 | 0 | 113 | K25 L83 R84 L87 M186 M187 | K25-D183 IonicContact NZ-OD2 2.82Å; K25-D183 PolarHBondContact NZ-OD2 3.11Å; L83-D183 HydrophobicContact CB-CB 4.18Å; R84-D183 HydrophobicContact CG-CB 4.27Å; L87-D183 HydrophobicContact CB-CB 4.22Å; L87-D183 HydrophobicContact CD2-CB 3.74Å; L87-D183 WeakPolarHBondContact CD2-O 3.4Å; D183-M186 WeakPolarHBondContact O-CB 3.39Å; D183-M186 PolarHBondContact O-N 2.93Å; D183-M187 PolarHBondContact O-N 3.44Å |
| 184 | D | 92.7 | Very high | 80.7 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.5 | -40.7 | 177.5 | 63 | -9.4 | 0 | 0 | 0 | 113.6 | F150 A151 G153 P182 M186 M187 G188 | F150-D184 HydrophobicContact CD2-CB 4.31Å; A151-D184 WeakPolarHBondContact O-CB 3.46Å; G153-D184 PolarHBondContact N-OD2 3.46Å; G153-D184 VanDerWaalsContact N-OD2 3.13Å; P182-D184 WeakPolarHBondContact CB-OD1 3.41Å; P182-D184 PolarHBondContact O-N 3.23Å; D184-M186 VanDerWaalsContact C-N 3.31Å; D184-M186 PolarHBondContact O-N 3.17Å; D184-M187 WeakPolarHBondContact O-CB 3.46Å; D184-M187 PolarHBondContact O-N 3.02Å; D184-G188 PolarHBondContact O-N 2.75Å; D184-G188 VanDerWaalsContact O-N 3.11Å |
| 185 | V | 92.5 | Very high | 82.2 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 172.9 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | K140 F148 F150 F181 P182 M187 G188 F189 | K140-V185 HydrophobicContact CG-CG1 4.16Å; F148-V185 HydrophobicContact CE2-CG1 4.23Å; F148-V185 HydrophobicContact CZ-CG1 4.19Å; F150-V185 HydrophobicContact CD1-CG2 4.41Å; F150-V185 HydrophobicContact CD2-CG2 3.98Å; F150-V185 HydrophobicContact CE1-CG2 4.05Å; F150-V185 HydrophobicContact CE2-CG2 3.55Å; F150-V185 HydrophobicContact CG-CG2 4.4Å; F150-V185 HydrophobicContact CZ-CG2 3.62Å; F181-V185 HydrophobicContact CB-CB 3.98Å; F181-V185 HydrophobicContact CB-CG1 3.98Å; F181-V185 HydrophobicContact CD1-CG1 3.93Å; F181-V185 HydrophobicContact CD2-CB 4.38Å; F181-V185 HydrophobicContact CD2-CG1 3.55Å; F181-V185 HydrophobicContact CE1-CG1 4.32Å; F181-V185 HydrophobicContact CE2-CG1 3.92Å; F181-V185 HydrophobicContact CG-CB 4.12Å; F181-V185 HydrophobicContact CG-CG1 3.54Å; F181-V185 HydrophobicContact CZ-CG1 4.31Å; P182-V185 HydrophobicContact CB-CG2 4.28Å; P182-V185 HydrophobicContact CG-CG2 4.25Å; P182-V185 PolarHBondContact O-N 3.05Å; V185-M187 VanDerWaalsContact C-N 3.32Å; V185-M187 PolarHBondContact O-N 3.24Å; V185-G188 PolarHBondContact O-N 3.04Å; V185-F189 WeakPolarHBondContact O-CB 3.25Å; V185-F189 PolarHBondContact O-N 2.78Å |
| 186 | M | 90.8 | Very high | 84.2 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.4 | -178.9 | 60.5 | 74.8 | 0 | 0 | 111.4 | R84 L175 P182 D183 D184 F189 M190 | R84-M186 VanDerWaalsContact NH2-CE 3.31Å; L175-M186 HydrophobicContact CD1-SD 4.01Å; P182-M186 WeakPolarHBondContact O-CB 3.42Å; P182-M186 PolarHBondContact O-N 3.31Å; D183-M186 WeakPolarHBondContact O-CB 3.39Å; D183-M186 PolarHBondContact O-N 2.93Å; D184-M186 VanDerWaalsContact C-N 3.31Å; D184-M186 PolarHBondContact O-N 3.17Å; M186-F189 WeakPolarHBondContact O-CB 3.48Å; M186-F189 PolarHBondContact O-N 3.09Å; M186-F189 HydrophobicContact SD-CD1 4.27Å; M186-M190 HydrophobicContact CG-CE 4.01Å; M186-M190 HydrophobicContact CG-SD 4.43Å; M186-M190 WeakPolarHBondContact O-CG 3.37Å; M186-M190 PolarHBondContact O-N 3Å; M186-M190 HydrophobicContact SD-CG 4.36Å |
| 187 | M | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | 174.1 | -74.3 | -54.3 | -51.1 | 0 | 0 | 112.3 | L87 L91 F157 L159 I167 D183 D184 V185 F189 M190 V191 | L87-M187 HydrophobicContact CD1-CG 4.46Å; L87-M187 HydrophobicContact CD1-SD 4.3Å; L87-M187 HydrophobicContact CD2-CG 3.55Å; L87-M187 HydrophobicContact CD2-SD 3.76Å; L87-M187 HydrophobicContact CG-SD 4.37Å; L91-M187 HydrophobicContact CD1-SD 3.8Å; F157-M187 HydrophobicContact CE1-CG 4.38Å; F157-M187 HydrophobicContact CE2-CE 4.25Å; F157-M187 HydrophobicContact CE2-CG 4.23Å; F157-M187 HydrophobicContact CZ-CG 3.77Å; F157-M187 HydrophobicContact CZ-SD 4.48Å; L159-M187 HydrophobicContact CD1-CE 3.52Å; L159-M187 HydrophobicContact CD2-CE 4.13Å; L159-M187 HydrophobicContact CG-CE 4.33Å; I167-M187 HydrophobicContact CD1-CE 3.72Å; D183-M187 PolarHBondContact O-N 3.44Å; D184-M187 WeakPolarHBondContact O-CB 3.46Å; D184-M187 PolarHBondContact O-N 3.02Å; V185-M187 VanDerWaalsContact C-N 3.32Å; V185-M187 PolarHBondContact O-N 3.24Å; M187-F189 VanDerWaalsContact C-N 3.26Å; M187-F189 PolarHBondContact O-N 2.92Å; M187-M190 HydrophobicContact CE-CE 4.2Å; M187-M190 HydrophobicContact CG-CE 4.49Å; M187-M190 PolarHBondContact O-N 3Å; M187-M190 HydrophobicContact SD-CE 3.37Å; M187-M190 WeakPolarHBondContact SD-CE 3.47Å; M187-V191 WeakPolarHBondContact O-CB 3.37Å; M187-V191 VanDerWaalsContact O-CG2 3.29Å; M187-V191 WeakPolarHBondContact O-CG2 3.25Å; M187-V191 PolarHBondContact O-N 3.07Å |
| 188 | G | 94.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | F148 D184 V185 S192 | F148-G188 WeakPolarHBondContact CD2-O 3.43Å; F148-G188 VanDerWaalsContact CE2-C 3.47Å; D184-G188 PolarHBondContact O-N 2.75Å; D184-G188 VanDerWaalsContact O-N 3.11Å; V185-G188 PolarHBondContact O-N 3.04Å; G188-S192 WeakPolarHBondContact O-CB 3.49Å; G188-S192 PolarHBondContact O-N 3.05Å |
| 189 | F | 92.4 | Very high | 91 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -51.4 | 175.4 | 177.3 | -100.7 | 0 | 0 | 0 | 111.2 | D142 H144 A145 F148 L175 F181 V185 M186 M187 V191 S192 R193 | D142-F189 HydrophobicContact CB-CD2 4.5Å; D142-F189 HydrophobicContact CB-CE2 4.33Å; D142-F189 WeakPolarHBondContact OD1-CE2 3.31Å; H144-F189 HydrophobicContact CB-CZ 4.48Å; A145-F189 HydrophobicContact CB-CD2 3.82Å; A145-F189 HydrophobicContact CB-CE2 3.57Å; F148-F189 HydrophobicContact CE1-CB 4.13Å; F148-F189 AromaticContact CE1-CD2 3.86Å; F148-F189 HydrophobicContact CE1-CD2 3.86Å; F148-F189 HydrophobicContact CE2-CB 4.1Å; F148-F189 HydrophobicContact CZ-CB 3.65Å; F148-F189 HydrophobicContact CZ-CD2 4.17Å; F148-F189 HydrophobicContact CZ-CG 4.43Å; L175-F189 HydrophobicContact CD1-CD1 3.97Å; L175-F189 HydrophobicContact CD1-CE1 3.84Å; L175-F189 HydrophobicContact CD2-CE1 4.23Å; F181-F189 HydrophobicContact CD2-CB 4.44Å; F181-F189 HydrophobicContact CE2-CB 4.39Å; F181-F189 HydrophobicContact CE2-CD2 4.33Å; F181-F189 HydrophobicContact CE2-CG 4.48Å; V185-F189 WeakPolarHBondContact O-CB 3.25Å; V185-F189 PolarHBondContact O-N 2.78Å; M186-F189 WeakPolarHBondContact O-CB 3.48Å; M186-F189 PolarHBondContact O-N 3.09Å; M186-F189 HydrophobicContact SD-CD1 4.27Å; M187-F189 VanDerWaalsContact C-N 3.26Å; M187-F189 PolarHBondContact O-N 2.92Å; F189-V191 VanDerWaalsContact C-N 3.34Å; F189-V191 PolarHBondContact O-N 3.07Å; F189-S192 PolarHBondContact O-N 3.26Å; F189-S192 VanDerWaalsContact O-N 3.14Å; F189-S192 PolarHBondContact O-OG 3.5Å; F189-R193 HydrophobicContact CD1-CG 4.34Å; F189-R193 HydrophobicContact CE1-CG 3.96Å; F189-R193 HydrophobicContact CE2-CG 4.46Å; F189-R193 HydrophobicContact CZ-CG 4.04Å; F189-R193 WeakPolarHBondContact O-CG 3.39Å; F189-R193 PolarHBondContact O-N 2.99Å |
| 190 | M | 91.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 179 | -69.5 | -176.6 | -61.9 | 0 | 0 | 112.4 | I167 L171 L175 M186 M187 S192 R193 | I167-M190 HydrophobicContact CB-CB 4.31Å; I167-M190 HydrophobicContact CG2-CB 4.34Å; L171-M190 HydrophobicContact CD2-CE 3.61Å; L171-M190 HydrophobicContact CD2-SD 3.43Å; L171-M190 WeakPolarHBondContact CD2-SD 3.06Å; L171-M190 HydrophobicContact CG-CE 4.47Å; L171-M190 HydrophobicContact CG-SD 3.94Å; L175-M190 HydrophobicContact CD1-CG 3.62Å; L175-M190 HydrophobicContact CD1-SD 4.15Å; M186-M190 HydrophobicContact CG-CE 4.01Å; M186-M190 HydrophobicContact CG-SD 4.43Å; M186-M190 WeakPolarHBondContact O-CG 3.37Å; M186-M190 PolarHBondContact O-N 3Å; M186-M190 HydrophobicContact SD-CG 4.36Å; M187-M190 HydrophobicContact CE-CE 4.2Å; M187-M190 HydrophobicContact CG-CE 4.49Å; M187-M190 PolarHBondContact O-N 3Å; M187-M190 HydrophobicContact SD-CE 3.37Å; M187-M190 WeakPolarHBondContact SD-CE 3.47Å; M190-S192 VanDerWaalsContact C-N 3.32Å; M190-S192 PolarHBondContact O-N 3.06Å; M190-R193 WeakPolarHBondContact O-CB 3.35Å; M190-R193 PolarHBondContact O-N 3.21Å |
| 191 | V | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 175 | 170.9 | 0 | 0 | 0 | 0 | 111 | Y130 L159 L163 I167 M187 F189 R193 V194 A196 | Y130-V191 HydrophobicContact CD1-CB 4.13Å; Y130-V191 HydrophobicContact CD1-CG1 3.83Å; Y130-V191 HydrophobicContact CD1-CG2 3.9Å; Y130-V191 HydrophobicContact CE1-CG2 4.39Å; Y130-V191 HydrophobicContact CG-CG1 4.27Å; Y130-V191 HydrophobicContact CG-CG2 4Å; L159-V191 HydrophobicContact CD2-CG2 4.41Å; L163-V191 HydrophobicContact CD2-CG1 4.26Å; L163-V191 HydrophobicContact CD2-CG2 4.14Å; I167-V191 HydrophobicContact CG2-CG2 4.49Å; M187-V191 WeakPolarHBondContact O-CB 3.37Å; M187-V191 VanDerWaalsContact O-CG2 3.29Å; M187-V191 WeakPolarHBondContact O-CG2 3.25Å; M187-V191 PolarHBondContact O-N 3.07Å; F189-V191 VanDerWaalsContact C-N 3.34Å; F189-V191 PolarHBondContact O-N 3.07Å; V191-R193 VanDerWaalsContact C-N 3.3Å; V191-R193 PolarHBondContact O-N 3.06Å; V191-V194 WeakPolarHBondContact O-CG2 3.4Å; V191-V194 PolarHBondContact O-N 3.27Å; V191-A196 HydrophobicContact CG1-CB 3.65Å; V191-A196 PolarHBondContact O-N 3.4Å |
| 192 | S | 93.7 | Very high | 94 | Very high | 15 Ų | 15 | 46 Ų | 46 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.1 | -31.4 | 177.5 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | A145 G188 F189 M190 V194 H195 | A145-S192 WeakPolarHBondContact CB-OG 3.5Å; G188-S192 WeakPolarHBondContact O-CB 3.49Å; G188-S192 PolarHBondContact O-N 3.05Å; F189-S192 PolarHBondContact O-N 3.26Å; F189-S192 VanDerWaalsContact O-N 3.14Å; F189-S192 PolarHBondContact O-OG 3.5Å; M190-S192 VanDerWaalsContact C-N 3.32Å; M190-S192 PolarHBondContact O-N 3.06Å; S192-V194 PolarHBondContact O-N 2.9Å; S192-H195 PolarHBondContact O-N 3.15Å |
| 193 | R | 91.5 | Very high | 94.3 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.2 | -20.5 | 178.1 | -74.4 | -66.8 | -54.2 | 165.1 | 8.3 | 113.3 | H144 Y170 F189 M190 V191 | H144-R193 WeakPolarHBondContact O-CD 3.41Å; H144-R193 PolarHBondContact O-NH1 3.26Å; Y170-R193 HydrophobicContact CE1-CB 4.09Å; Y170-R193 HydrophobicContact CE2-CB 4.4Å; Y170-R193 PolarHBondContact OH-O 2.99Å; F189-R193 HydrophobicContact CD1-CG 4.34Å; F189-R193 HydrophobicContact CE1-CG 3.96Å; F189-R193 HydrophobicContact CE2-CG 4.46Å; F189-R193 HydrophobicContact CZ-CG 4.04Å; F189-R193 WeakPolarHBondContact O-CG 3.39Å; F189-R193 PolarHBondContact O-N 2.99Å; M190-R193 WeakPolarHBondContact O-CB 3.35Å; M190-R193 PolarHBondContact O-N 3.21Å; V191-R193 VanDerWaalsContact C-N 3.3Å; V191-R193 PolarHBondContact O-N 3.06Å |
| 194 | V | 93.7 | Very high | 94.7 | Very high | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.145 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 17.1 | 174 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | L163 K166 I167 Y170 V191 S192 A196 | L163-V194 HydrophobicContact CD1-CG2 3.64Å; K166-V194 HydrophobicContact CB-CB 4.24Å; K166-V194 HydrophobicContact CB-CG1 4.06Å; K166-V194 HydrophobicContact CB-CG2 4.38Å; K166-V194 WeakPolarHBondContact O-CG1 3.5Å; I167-V194 HydrophobicContact CG2-CG1 4.16Å; I167-V194 HydrophobicContact CG2-CG2 3.69Å; Y170-V194 HydrophobicContact CD2-CG1 4.26Å; Y170-V194 HydrophobicContact CE2-CG1 3.54Å; V191-V194 WeakPolarHBondContact O-CG2 3.4Å; V191-V194 PolarHBondContact O-N 3.27Å; S192-V194 PolarHBondContact O-N 2.9Å; V194-A196 HydrophobicContact CG2-CB 4.12Å; V194-A196 PolarHBondContact O-N 3.41Å; V194-A196 VanDerWaalsContact O-N 3.1Å |
| 195 | H | 94.5 | Very high | 94.8 | Very high | 181 Ų | 181 | 45.7 Ų | 45.7 | 84% | 0.838 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 15.4 | 179.2 | -52 | -72.7 | 0 | 0 | 0 | 115.1 | S192 | S192-H195 PolarHBondContact O-N 3.15Š|
| 196 | A | 96.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 13% | 0.132 | 21% | 0.214 | C | C | . | . | trans | -85 | 165.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D128 L163 V191 V194 | D128-A196 HydrophobicContact CB-CB 4.18Å; L163-A196 HydrophobicContact CD1-CB 3.58Å; L163-A196 HydrophobicContact CD2-CB 4.31Å; V191-A196 HydrophobicContact CG1-CB 3.65Å; V191-A196 PolarHBondContact O-N 3.4Å; V194-A196 HydrophobicContact CG2-CB 4.12Å; V194-A196 PolarHBondContact O-N 3.41Å; V194-A196 VanDerWaalsContact O-N 3.1Å | ||
| 197 | K | 97.1 | Very high | 94.6 | Very high | 175 Ų | 175 | 48.5 Ų | 48.5 | 76% | 0.761 | 23% | 0.227 | S | C | * | . | trans | -138.1 | 156.1 | -178.4 | 63.5 | -176.9 | 178.6 | -177.5 | 0 | 110.9 | K199 | K197-K199 PolarHBondContact O-N 2.92Š| ||
| 198 | L | 98.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 124.3 | 168.6 | 179.5 | 65.9 | 0 | 0 | 0 | 109.8 | Y130 R134 A151 E200 | Y130-L198 HydrophobicContact CD1-CB 3.92Å; Y130-L198 HydrophobicContact CD1-CD1 3.81Å; Y130-L198 HydrophobicContact CD2-CD1 4.44Å; Y130-L198 HydrophobicContact CE1-CB 4.13Å; Y130-L198 HydrophobicContact CE1-CD1 3.82Å; Y130-L198 HydrophobicContact CE2-CD1 4.44Å; Y130-L198 HydrophobicContact CG-CD1 4.15Å; R134-L198 HydrophobicContact CB-CD2 4.01Å; A151-L198 HydrophobicContact CB-CD1 3.88Å; L198-E200 HydrophobicContact CD2-CG 3.85Å; L198-E200 HydrophobicContact CG-CG 3.99Å |
| 199 | K | 98.1 | Very high | 93.6 | Very high | 90 Ų | 90 | 56.4 Ų | 56.4 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 105 | 162.8 | -176.3 | 175.3 | -178.9 | -179.5 | 0 | 107.5 | M123 Y130 I131 G132 K197 I201 | M123-K199 HydrophobicContact SD-CD 4.14Å; M123-K199 PolarHBondContact SD-NZ 3.3Å; Y130-K199 WeakPolarHBondContact O-CB 3.31Å; Y130-K199 PolarHBondContact O-N 3.02Å; I131-K199 WeakPolarHBondContact CA-O 3.37Å; I131-K199 HydrophobicContact CG1-CB 4.37Å; G132-K199 PolarHBondContact N-O 3.4Å; K197-K199 PolarHBondContact O-N 2.92Å; K199-I201 PolarHBondContact O-N 3.06Å |
| 200 | E | 97.5 | Very high | 92.8 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126.2 | -174.2 | -67.6 | 174.5 | -125 | 0 | 0 | 111.2 | G132 R134 L198 | G132-E200 WeakPolarHBondContact O-CA 3.31Å; R134-E200 HydrophobicContact CB-CG 4.11Å; R134-E200 WeakPolarHBondContact CB-OE2 3.11Å; R134-E200 WeakPolarHBondContact CD-OE2 3.25Å; R134-E200 IonicContact CZ-OE1 2.73Å; R134-E200 IonicContact CZ-OE2 3.24Å; R134-E200 IonicContact NE-OE1 3.03Å; R134-E200 PolarHBondContact NE-OE1 3.02Å; R134-E200 IonicContact NE-OE2 3.66Å; R134-E200 PolarHBondContact NE-OE2 2.91Å; R134-E200 IonicContact NH2-OE1 2.81Å; R134-E200 PolarHBondContact NH2-OE1 2.84Å; R134-E200 IonicContact NH2-OE2 3.77Å; L198-E200 HydrophobicContact CD2-CG 3.85Å; L198-E200 HydrophobicContact CG-CG 3.99Å |
| 201 | I | 97.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 74 Ų | 74 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | trans | -129.7 | 111.3 | 174.7 | -59.4 | -65.1 | 0 | 0 | 0 | 107.5 | L119 I131 G132 K199 R203 F204 I224 | L119-I201 HydrophobicContact CD1-CD1 4.29Å; L119-I201 HydrophobicContact CD2-CG1 4.29Å; L119-I201 HydrophobicContact CD2-CG2 4.2Å; I131-I201 HydrophobicContact CG2-CB 4.24Å; I131-I201 HydrophobicContact CG2-CG1 3.54Å; G132-I201 PolarHBondContact O-N 3.43Å; K199-I201 PolarHBondContact O-N 3.06Å; I201-R203 HydrophobicContact CG2-CB 3.86Å; I201-R203 HydrophobicContact CG2-CG 3.99Å; I201-R203 PolarHBondContact O-N 2.95Å; I201-F204 HydrophobicContact CB-CD2 4.15Å; I201-F204 HydrophobicContact CB-CE2 4.04Å; I201-F204 HydrophobicContact CG2-CD2 4.13Å; I201-F204 HydrophobicContact CG2-CE2 4Å; I201-I224 HydrophobicContact CG2-CD1 4.31Å | ||
| 202 | D | 94.2 | Very high | 90.5 | Very high | 110 Ų | 110 | 78.3 Ų | 78.3 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 41.9 | -178.5 | -165.3 | 22.1 | 0 | 0 | 0 | 113 | K133 | K133-D202 WeakPolarHBondContact CD-OD1 3.38Å; K133-D202 WeakPolarHBondContact CE-OD1 3.31Å; K133-D202 IonicContact NZ-OD1 3.27Å; K133-D202 PolarHBondContact NZ-OD1 3.04Å |
| 203 | R | 96.3 | Very high | 89.5 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 0.6 | 179.7 | -59.5 | -170.4 | -84 | 174.1 | 0.5 | 113.3 | I201 Q222 I224 S225 | I201-R203 HydrophobicContact CG2-CB 3.86Å; I201-R203 HydrophobicContact CG2-CG 3.99Å; I201-R203 PolarHBondContact O-N 2.95Å; R203-Q222 WeakPolarHBondContact CD-O 3.38Å; R203-I224 HydrophobicContact CB-CB 4.42Å; R203-I224 HydrophobicContact CB-CD1 4.04Å; R203-I224 HydrophobicContact CB-CG1 4.06Å; R203-I224 WeakPolarHBondContact O-CA 3.4Å; R203-I224 WeakPolarHBondContact O-CB 3.5Å; R203-I224 PolarHBondContact O-N 3.06Å; R203-S225 PolarHBondContact O-N 3.35Å |
| 204 | F | 97.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.9 | 175.5 | -68.5 | -100 | 0 | 0 | 0 | 107.8 | F105 L116 L119 I131 K133 A155 G156 I201 I224 S225 | F105-F204 HydrophobicContact CE1-CD1 4.11Å; F105-F204 HydrophobicContact CE1-CE1 4.03Å; F105-F204 HydrophobicContact CZ-CE1 4.17Å; L116-F204 HydrophobicContact CD1-CZ 4.42Å; L119-F204 HydrophobicContact CD2-CE2 4.27Å; I131-F204 HydrophobicContact CG2-CE2 4.06Å; I131-F204 HydrophobicContact CG2-CZ 4.37Å; K133-F204 HydrophobicContact CB-CB 3.99Å; K133-F204 WeakPolarHBondContact CB-O 3.45Å; K133-F204 WeakPolarHBondContact CD-O 3.41Å; A155-F204 HydrophobicContact CB-CB 3.93Å; G156-F204 WeakPolarHBondContact O-CD1 3.44Å; I201-F204 HydrophobicContact CB-CD2 4.15Å; I201-F204 HydrophobicContact CB-CE2 4.04Å; I201-F204 HydrophobicContact CG2-CD2 4.13Å; I201-F204 HydrophobicContact CG2-CE2 4Å; F204-I224 HydrophobicContact CD1-CB 4.48Å; F204-I224 HydrophobicContact CD1-CG2 3.94Å; F204-I224 HydrophobicContact CD2-CD1 4.19Å; F204-I224 HydrophobicContact CE1-CB 4.41Å; F204-I224 HydrophobicContact CE1-CG2 3.57Å; F204-I224 HydrophobicContact CE2-CD1 3.57Å; F204-I224 HydrophobicContact CE2-CG2 4.39Å; F204-I224 HydrophobicContact CG-CG2 4.5Å; F204-I224 HydrophobicContact CZ-CB 4.43Å; F204-I224 HydrophobicContact CZ-CD1 3.81Å; F204-I224 HydrophobicContact CZ-CG2 3.82Å; F204-S225 WeakPolarHBondContact CA-OG 3.27Å |
| 205 | H | 95.1 | Very high | 88.5 | Confident | 15 Ų | 15 | 87.9 Ų | 87.9 | 7% | 0.069 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.9 | -173.3 | -57.9 | -81.7 | 0 | 0 | 0 | 113.1 | E209 W215 Q223 S225 S227 | H205-E209 VanDerWaalsContact CA-OE1 3.31Å; H205-E209 WeakPolarHBondContact CA-OE1 3.29Å; H205-E209 IonicContact CE1-OE2 3.52Å; H205-E209 IonicContact CG-OE1 2.8Å; H205-E209 IonicContact CG-OE2 3.06Å; H205-E209 IonicContact ND1-OE1 3.95Å; H205-E209 PolarHBondContact ND1-OE1 3.34Å; H205-E209 IonicContact ND1-OE2 3.89Å; H205-E209 PolarHBondContact ND1-OE2 2.87Å; H205-W215 AromaticContact CE1-CZ2 3.7Å; H205-W215 AromaticContact NE2-CZ2 3.78Å; H205-Q223 PolarHBondContact NE2-OE1 3.27Å; H205-Q223 VanDerWaalsContact NE2-OE1 3.14Å; H205-S225 VanDerWaalsContact CB-O 3.29Å; H205-S225 WeakPolarHBondContact CB-O 3.33Å; H205-S225 PolarHBondContact CD2-O 2.98Å; H205-S225 VanDerWaalsContact CD2-O 3.3Å; H205-S225 PolarHBondContact N-O 3.21Å; H205-S225 PolarHBondContact N-OG 3.42Å; H205-S225 VanDerWaalsContact N-OG 3.12Å; H205-S227 WeakPolarHBondContact O-CB 3.13Å; H205-S227 PolarHBondContact O-N 3.1Å |
| 206 | S | 92.5 | Very high | 88.4 | Confident | 10 Ų | 10 | 82.7 Ų | 82.7 | 7% | 0.07 | 41% | 0.406 | C | S | . | . | trans | -102.6 | 160.8 | 173.8 | 70.7 | 0 | 0 | 0 | 0 | 112 | L208 E209 | S206-L208 PolarHBondContact O-N 3.3Å; S206-L208 PolarHBondContact OG-N 3.07Å; S206-E209 PolarHBondContact N-OE1 2.91Å; S206-E209 PolarHBondContact O-N 3.39Å | ||
| 207 | H | 85.4 | Confident | 88.2 | Confident | 75 Ų | 75 | 86.5 Ų | 86.5 | 35% | 0.347 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -3.3 | 174.3 | 62.7 | -98 | 0 | 0 | 0 | 113.4 | D108 E209 S227 H229 | D108-H207 IonicContact OD2-CE1 3.84Å; D108-H207 IonicContact OD2-ND1 2.7Å; D108-H207 PolarHBondContact OD2-ND1 3.34Å; H207-E209 VanDerWaalsContact C-N 3.34Å; H207-S227 WeakPolarHBondContact CB-OG 3.49Å; H207-S227 PolarHBondContact N-OG 3.06Å; H207-S227 PolarHBondContact ND1-OG 3.04Å; H207-S227 VanDerWaalsContact ND1-OG 3.11Å; H207-H229 HydrophobicContact CB-CB 4.35Å |
| 208 | L | 83.3 | Confident | 88 | Confident | 122 Ų | 122 | 83.4 Ų | 83.4 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -6.7 | 177.5 | -58.2 | 175.4 | 0 | 0 | 0 | 112.8 | S206 K210 | S206-L208 PolarHBondContact O-N 3.3Å; S206-L208 PolarHBondContact OG-N 3.07Å; L208-K210 PolarHBondContact O-N 3.41Å |
| 209 | E | 84.7 | Confident | 87.8 | Confident | 45 Ų | 45 | 85.6 Ų | 85.6 | 21% | 0.21 | 42% | 0.418 | C | S | . | . | trans | -69 | 121.4 | 175.4 | -65.9 | -177.5 | -163.8 | 0 | 0 | 109.5 | K133 H205 S206 H207 E211 | K133-E209 WeakPolarHBondContact CD-OE1 3.48Å; K133-E209 VanDerWaalsContact CE-OE1 3.3Å; K133-E209 WeakPolarHBondContact CE-OE1 3.03Å; K133-E209 IonicContact NZ-OE1 3.8Å; K133-E209 PolarHBondContact NZ-OE1 2.97Å; K133-E209 IonicContact NZ-OE2 3.92Å; K133-E209 PolarHBondContact NZ-OE2 2.69Å; H205-E209 VanDerWaalsContact CA-OE1 3.31Å; H205-E209 WeakPolarHBondContact CA-OE1 3.29Å; H205-E209 IonicContact CE1-OE2 3.52Å; H205-E209 IonicContact CG-OE1 2.8Å; H205-E209 IonicContact CG-OE2 3.06Å; H205-E209 IonicContact ND1-OE1 3.95Å; H205-E209 PolarHBondContact ND1-OE1 3.34Å; H205-E209 IonicContact ND1-OE2 3.89Å; H205-E209 PolarHBondContact ND1-OE2 2.87Å; S206-E209 PolarHBondContact N-OE1 2.91Å; S206-E209 PolarHBondContact O-N 3.39Å; H207-E209 VanDerWaalsContact C-N 3.34Å; E209-E211 VanDerWaalsContact C-N 3.27Å; E209-E211 PolarHBondContact O-N 2.71Å | ||
| 210 | K | 75.2 | Confident | 87.6 | Confident | 209 Ų | 209 | 81.4 Ų | 81.4 | 91% | 0.909 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -65.8 | -32.4 | -176.3 | -68 | -175.7 | 178.5 | -178.5 | 0 | 112.7 | L208 | L208-K210 PolarHBondContact O-N 3.41Š|
| 211 | E | 70.4 | Confident | 87.5 | Confident | 169 Ų | 169 | 78.9 Ų | 78.9 | 79% | 0.79 | 39% | 0.387 | S | S | * | . | trans | -136.4 | 118.6 | -178.7 | -65.8 | 177.3 | -170.9 | 0 | 0 | 107.7 | E209 | E209-E211 VanDerWaalsContact C-N 3.27Å; E209-E211 PolarHBondContact O-N 2.71Å | ||
| 212 | S | 67 | Low | 87.4 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | trans | -78.7 | 129.5 | 163.9 | -67.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 213 | P | 73.4 | Confident | 87.5 | Confident | 65 Ų | 65 | 76.7 Ų | 76.7 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | trans | -52 | 147.7 | 169.8 | -25.1 | 34 | 0 | 0 | 0 | 110.6 | W215 | P213-W215 VanDerWaalsContact C-N 3.28Å; P213-W215 HydrophobicContact CB-CD2 4.1Å; P213-W215 HydrophobicContact CB-CE3 4.37Å; P213-W215 HydrophobicContact CB-CH2 4.22Å; P213-W215 HydrophobicContact CB-CZ2 3.93Å; P213-W215 HydrophobicContact CB-CZ3 4.43Å; P213-W215 HydrophobicContact CG-CH2 3.98Å; P213-W215 HydrophobicContact CG-CZ2 3.54Å; P213-W215 PolarHBondContact O-N 3.24Å | ||
| 214 | E | 78.7 | Confident | 87.5 | Confident | 200 Ų | 200 | 73.7 Ų | 73.7 | 94% | 0.935 | 36% | 0.361 | S | S | * | . | trans | -65.4 | 94.3 | 167.5 | -74.4 | -164.4 | 162.6 | 0 | 0 | 108.9 | T216 | E214-T216 PolarHBondContact O-N 3.19Š| ||
| 215 | W | 85.8 | Confident | 87.6 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | trans | -78.9 | 117.2 | -178.5 | -62.1 | 113.9 | 0 | 0 | 0 | 110.8 | H205 P213 A220 Q223 | H205-W215 AromaticContact CE1-CZ2 3.7Å; H205-W215 AromaticContact NE2-CZ2 3.78Å; P213-W215 VanDerWaalsContact C-N 3.28Å; P213-W215 HydrophobicContact CB-CD2 4.1Å; P213-W215 HydrophobicContact CB-CE3 4.37Å; P213-W215 HydrophobicContact CB-CH2 4.22Å; P213-W215 HydrophobicContact CB-CZ2 3.93Å; P213-W215 HydrophobicContact CB-CZ3 4.43Å; P213-W215 HydrophobicContact CG-CH2 3.98Å; P213-W215 HydrophobicContact CG-CZ2 3.54Å; P213-W215 PolarHBondContact O-N 3.24Å; W215-A220 HydrophobicContact CB-CB 3.9Å; W215-A220 HydrophobicContact CG-CB 4.46Å; W215-Q223 HydrophobicContact CD2-CG 4.44Å; W215-Q223 HydrophobicContact CE3-CG 4.41Å; W215-Q223 VanDerWaalsContact CH2-CD 3.4Å; W215-Q223 HydrophobicContact CH2-CG 3.91Å; W215-Q223 VanDerWaalsContact CH2-NE2 3.31Å; W215-Q223 HydrophobicContact CZ2-CG 3.93Å; W215-Q223 HydrophobicContact CZ3-CG 4.16Å | ||
| 216 | T | 92.2 | Very high | 87.6 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | trans | -65.4 | 162.9 | 156.5 | 69.7 | 0 | 0 | 0 | 0 | 109.8 | E214 E218 T219 A220 | E214-T216 PolarHBondContact O-N 3.19Å; T216-E218 PolarHBondContact O-N 3.37Å; T216-E218 PolarHBondContact OG1-OE2 3.4Å; T216-T219 PolarHBondContact N-OG1 3.31Å; T216-T219 PolarHBondContact O-N 3.34Å; T216-T219 PolarHBondContact O-OG1 2.91Å; T216-T219 VanDerWaalsContact O-OG1 3.06Å; T216-T219 WeakPolarHBondContact OG1-CG2 3.38Å; T216-T219 PolarHBondContact OG1-N 2.79Å; T216-T219 PolarHBondContact OG1-OG1 2.89Å; T216-A220 VanDerWaalsContact O-CB 3.27Å; T216-A220 WeakPolarHBondContact O-CB 3.5Å; T216-A220 PolarHBondContact O-N 2.77Å | ||
| 217 | R | 92.7 | Very high | 87.6 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 36% | 0.362 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -40.5 | 175.5 | 178.5 | -177.9 | -70.8 | 155.8 | 0.6 | 111.1 | R221 F244 | R217-R221 VanDerWaalsContact O-CB 3.27Å; R217-R221 WeakPolarHBondContact O-CB 3.41Å; R217-R221 VanDerWaalsContact O-CG 3.22Å; R217-R221 WeakPolarHBondContact O-CG 3.43Å; R217-R221 PolarHBondContact O-N 2.81Å; R217-F244 HydrophobicContact CB-CE1 4.33Å; R217-F244 HydrophobicContact CB-CE2 4.23Å; R217-F244 HydrophobicContact CB-CZ 3.92Å; R217-F244 WeakPolarHBondContact CD-O 3.45Å; R217-F244 WeakPolarHBondContact CG-O 3.29Å; R217-F244 PolarHBondContact NE-O 3.07Å |
| 218 | E | 92.5 | Very high | 87.7 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | -178.5 | -65.8 | 67.3 | -145.3 | 0 | 0 | 111.3 | T216 | T216-E218 PolarHBondContact O-N 3.37Å; T216-E218 PolarHBondContact OG1-OE2 3.4Å |
| 219 | T | 93.4 | Very high | 87.6 | Confident | 56 Ų | 56 | 74 Ų | 74 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -78.5 | -37.7 | -179.2 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | T216 R221 Q222 Q223 | T216-T219 PolarHBondContact N-OG1 3.31Å; T216-T219 PolarHBondContact O-N 3.34Å; T216-T219 PolarHBondContact O-OG1 2.91Å; T216-T219 VanDerWaalsContact O-OG1 3.06Å; T216-T219 WeakPolarHBondContact OG1-CG2 3.38Å; T216-T219 PolarHBondContact OG1-N 2.79Å; T216-T219 PolarHBondContact OG1-OG1 2.89Å; T219-R221 VanDerWaalsContact C-N 3.29Å; T219-R221 PolarHBondContact O-N 2.78Å; T219-Q222 WeakPolarHBondContact O-CB 3.49Å; T219-Q222 PolarHBondContact O-N 2.62Å; T219-Q222 VanDerWaalsContact O-N 3.09Å; T219-Q223 PolarHBondContact O-NE2 3.09Å |
| 220 | A | 94.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.3 | -41 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W215 T216 Q222 Q223 F226 F244 L245 | W215-A220 HydrophobicContact CB-CB 3.9Å; W215-A220 HydrophobicContact CG-CB 4.46Å; T216-A220 VanDerWaalsContact O-CB 3.27Å; T216-A220 WeakPolarHBondContact O-CB 3.5Å; T216-A220 PolarHBondContact O-N 2.77Å; A220-Q222 PolarHBondContact O-N 3.32Å; A220-Q223 PolarHBondContact O-N 3.1Å; A220-F226 HydrophobicContact CB-CZ 4.35Å; A220-F226 WeakPolarHBondContact O-CZ 3.33Å; A220-F244 HydrophobicContact CB-CD1 4.35Å; A220-F244 HydrophobicContact CB-CE1 3.72Å; A220-L245 HydrophobicContact CB-CD2 3.51Å |
| 221 | R | 95.6 | Very high | 86.6 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.1 | 176.6 | -86.6 | 173 | 171.7 | 170.4 | -1.3 | 114.5 | W7 N112 V115 R217 T219 L245 | W7-R221 HydrophobicContact CZ2-CB 4.02Å; W7-R221 HydrophobicContact CZ2-CG 4.08Å; N112-R221 PolarHBondContact ND2-O 3.2Å; N112-R221 VanDerWaalsContact ND2-O 3.14Å; V115-R221 WeakPolarHBondContact CG2-O 3.41Å; R217-R221 VanDerWaalsContact O-CB 3.27Å; R217-R221 WeakPolarHBondContact O-CB 3.41Å; R217-R221 VanDerWaalsContact O-CG 3.22Å; R217-R221 WeakPolarHBondContact O-CG 3.43Å; R217-R221 PolarHBondContact O-N 2.81Å; T219-R221 VanDerWaalsContact C-N 3.29Å; T219-R221 PolarHBondContact O-N 2.78Å; R221-L245 HydrophobicContact CG-CD2 4.14Å; R221-L245 PolarHBondContact NE-O 3.4Å; R221-L245 PolarHBondContact NH2-O 3.06Å |
| 222 | Q | 95.3 | Very high | 86 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -6.7 | 174.5 | -58.4 | -54.4 | -40.9 | 0 | 0 | 113 | V115 R203 T219 A220 | V115-Q222 WeakPolarHBondContact CG1-O 3.11Å; R203-Q222 WeakPolarHBondContact CD-O 3.38Å; T219-Q222 WeakPolarHBondContact O-CB 3.49Å; T219-Q222 PolarHBondContact O-N 2.62Å; T219-Q222 VanDerWaalsContact O-N 3.09Å; A220-Q222 PolarHBondContact O-N 3.32Å |
| 223 | Q | 96.1 | Very high | 85.9 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | trans | -88.1 | 153.5 | 179.4 | -45.8 | -45.2 | -43.1 | 0 | 0 | 110.9 | N112 H205 W215 T219 A220 F226 | N112-Q223 VanDerWaalsContact CB-O 3.24Å; N112-Q223 WeakPolarHBondContact CB-O 3.1Å; N112-Q223 PolarHBondContact ND2-O 3.22Å; H205-Q223 PolarHBondContact NE2-OE1 3.27Å; H205-Q223 VanDerWaalsContact NE2-OE1 3.14Å; W215-Q223 HydrophobicContact CD2-CG 4.44Å; W215-Q223 HydrophobicContact CE3-CG 4.41Å; W215-Q223 VanDerWaalsContact CH2-CD 3.4Å; W215-Q223 HydrophobicContact CH2-CG 3.91Å; W215-Q223 VanDerWaalsContact CH2-NE2 3.31Å; W215-Q223 HydrophobicContact CZ2-CG 3.93Å; W215-Q223 HydrophobicContact CZ3-CG 4.16Å; T219-Q223 PolarHBondContact O-NE2 3.09Å; A220-Q223 PolarHBondContact O-N 3.1Å; Q223-F226 HydrophobicContact CB-CE1 4.05Å; Q223-F226 HydrophobicContact CB-CE2 3.95Å; Q223-F226 HydrophobicContact CB-CZ 3.53Å; Q223-F226 HydrophobicContact CG-CE1 4.25Å; Q223-F226 HydrophobicContact CG-CZ 4.02Å | ||
| 224 | I | 97.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -96.6 | -49.7 | -173.1 | -69.8 | 169.9 | 0 | 0 | 0 | 111.3 | V111 N112 V115 L116 L119 I201 R203 F204 | V111-I224 CarbonylContact C-O 3.55Å; V111-I224 WeakPolarHBondContact CA-O 3.44Å; N112-I224 PolarHBondContact N-O 3.44Å; V115-I224 HydrophobicContact CB-CG1 4.29Å; V115-I224 HydrophobicContact CG1-CD1 4.44Å; V115-I224 HydrophobicContact CG1-CG1 3.69Å; L116-I224 HydrophobicContact CB-CG2 4.14Å; L116-I224 HydrophobicContact CD1-CG2 3.92Å; L119-I224 HydrophobicContact CB-CD1 4.38Å; L119-I224 HydrophobicContact CD2-CD1 3.41Å; L119-I224 VanDerWaalsContact CD2-CD1 3.41Å; I201-I224 HydrophobicContact CG2-CD1 4.31Å; R203-I224 HydrophobicContact CB-CB 4.42Å; R203-I224 HydrophobicContact CB-CD1 4.04Å; R203-I224 HydrophobicContact CB-CG1 4.06Å; R203-I224 WeakPolarHBondContact O-CA 3.4Å; R203-I224 WeakPolarHBondContact O-CB 3.5Å; R203-I224 PolarHBondContact O-N 3.06Å; F204-I224 HydrophobicContact CD1-CB 4.48Å; F204-I224 HydrophobicContact CD1-CG2 3.94Å; F204-I224 HydrophobicContact CD2-CD1 4.19Å; F204-I224 HydrophobicContact CE1-CB 4.41Å; F204-I224 HydrophobicContact CE1-CG2 3.57Å; F204-I224 HydrophobicContact CE2-CD1 3.57Å; F204-I224 HydrophobicContact CE2-CG2 4.39Å; F204-I224 HydrophobicContact CG-CG2 4.5Å; F204-I224 HydrophobicContact CZ-CB 4.43Å; F204-I224 HydrophobicContact CZ-CD1 3.81Å; F204-I224 HydrophobicContact CZ-CG2 3.82Å |
| 225 | S | 97.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.3 | -178.6 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | Y110 A155 R203 F204 H205 | Y110-S225 CarbonylContact O-C 3.56Å; Y110-S225 VanDerWaalsContact O-CA 3.28Å; Y110-S225 WeakPolarHBondContact O-CA 3.31Å; A155-S225 WeakPolarHBondContact O-CB 3.5Å; A155-S225 PolarHBondContact O-OG 3.4Å; R203-S225 PolarHBondContact O-N 3.35Å; F204-S225 WeakPolarHBondContact CA-OG 3.27Å; H205-S225 VanDerWaalsContact CB-O 3.29Å; H205-S225 WeakPolarHBondContact CB-O 3.33Å; H205-S225 PolarHBondContact CD2-O 2.98Å; H205-S225 VanDerWaalsContact CD2-O 3.3Å; H205-S225 PolarHBondContact N-O 3.21Å; H205-S225 PolarHBondContact N-OG 3.42Å; H205-S225 VanDerWaalsContact N-OG 3.12Å |
| 226 | F | 95.2 | Very high | 85.6 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 108.4 | 175.8 | -58.6 | -98.3 | 0 | 0 | 0 | 108.4 | N109 Y110 A220 Q223 L241 L245 | N109-F226 WeakPolarHBondContact CA-O 3.42Å; Y110-F226 HydrophobicContact CD1-CD2 4.04Å; Y110-F226 PolarHBondContact N-O 3.12Å; Y110-F226 PolarHBondContact O-N 2.85Å; A220-F226 HydrophobicContact CB-CZ 4.35Å; A220-F226 WeakPolarHBondContact O-CZ 3.33Å; Q223-F226 HydrophobicContact CB-CE1 4.05Å; Q223-F226 HydrophobicContact CB-CE2 3.95Å; Q223-F226 HydrophobicContact CB-CZ 3.53Å; Q223-F226 HydrophobicContact CG-CE1 4.25Å; Q223-F226 HydrophobicContact CG-CZ 4.02Å; F226-L241 HydrophobicContact CB-CD2 3.56Å; F226-L241 HydrophobicContact CD1-CD1 4.46Å; F226-L241 HydrophobicContact CD1-CD2 4.27Å; F226-L241 HydrophobicContact CD2-CD2 3.79Å; F226-L241 HydrophobicContact CE1-CD1 4.45Å; F226-L241 HydrophobicContact CE2-CD2 4.49Å; F226-L241 HydrophobicContact CG-CD2 3.64Å; F226-L241 HydrophobicContact CZ-CD1 4.48Å; F226-L245 HydrophobicContact CE2-CD1 4.02Å; F226-L245 HydrophobicContact CZ-CD1 4.5Å; F226-L245 HydrophobicContact CZ-CD2 4.47Å |
| 227 | S | 92.5 | Very high | 85.5 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 142.3 | 169.5 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | D108 N109 H205 H207 | D108-S227 VanDerWaalsContact CG-OG 3.25Å; D108-S227 CarbonylContact O-C 3.55Å; D108-S227 VanDerWaalsContact O-CA 3.3Å; D108-S227 WeakPolarHBondContact O-CA 3.41Å; D108-S227 PolarHBondContact OD1-OG 3.24Å; D108-S227 PolarHBondContact OD2-OG 3.34Å; N109-S227 WeakPolarHBondContact ND2-CA 3.25Å; N109-S227 WeakPolarHBondContact ND2-CB 3.33Å; H205-S227 WeakPolarHBondContact O-CB 3.13Å; H205-S227 PolarHBondContact O-N 3.1Å; H207-S227 WeakPolarHBondContact CB-OG 3.49Å; H207-S227 PolarHBondContact N-OG 3.06Å; H207-S227 PolarHBondContact ND1-OG 3.04Å; H207-S227 VanDerWaalsContact ND1-OG 3.11Å |
| 228 | H | 87.8 | Confident | 85.6 | Confident | 47 Ų | 47 | 60.8 Ų | 60.8 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | trans | -116.4 | 128.5 | 176.7 | -174.8 | 81 | 0 | 0 | 0 | 111 | D108 Y230 Q233 P237 F238 | D108-H228 PolarHBondContact O-N 3.49Å; H228-Y230 HydrophobicContact CB-CD2 4.45Å; H228-Y230 HydrophobicContact CB-CE2 4.1Å; H228-Y230 AromaticContact CD2-CD2 3.9Å; H228-Y230 VanDerWaalsContact O-CD2 3.27Å; H228-Y230 WeakPolarHBondContact O-CD2 3.33Å; H228-Y230 PolarHBondContact O-N 3.31Å; H228-Q233 PolarHBondContact CE1-OE1 2.98Å; H228-Q233 VanDerWaalsContact CE1-OE1 3.27Å; H228-Q233 PolarHBondContact NE2-OE1 2.73Å; H228-P237 HydrophobicContact CB-CB 4.47Å; H228-P237 HydrophobicContact CB-CG 4.02Å; H228-P237 VanDerWaalsContact CD2-CG 3.44Å; H228-P237 WeakPolarHBondContact CD2-CG 3.31Å; H228-F238 HydrophobicContact CB-CE1 3.87Å | ||
| 229 | H | 80.6 | Confident | 85.6 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | trans | -75.3 | 99.7 | 170.9 | -167.2 | 75.3 | 0 | 0 | 0 | 110.3 | H207 G231 | H207-H229 HydrophobicContact CB-CB 4.35Å; H229-G231 VanDerWaalsContact C-N 3.34Å; H229-G231 PolarHBondContact O-N 3.22Å | ||
| 230 | Y | 69.8 | Low | 85.5 | Confident | 36 Ų | 36 | 66.5 Ų | 66.5 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | trans | -70.8 | 89 | 172.1 | -72.5 | -97.4 | 0 | 0 | 0 | 109.7 | R34 D108 H228 P237 F238 | R34-Y230 HydrophobicContact CG-CD1 4.18Å; R34-Y230 HydrophobicContact CG-CD2 4.1Å; R34-Y230 HydrophobicContact CG-CE1 3.97Å; R34-Y230 HydrophobicContact CG-CE2 3.92Å; R34-Y230 HydrophobicContact CG-CG 4.23Å; D108-Y230 HydrophobicContact CB-CD2 3.92Å; D108-Y230 HydrophobicContact CB-CE2 3.84Å; H228-Y230 HydrophobicContact CB-CD2 4.45Å; H228-Y230 HydrophobicContact CB-CE2 4.1Å; H228-Y230 AromaticContact CD2-CD2 3.9Å; H228-Y230 VanDerWaalsContact O-CD2 3.27Å; H228-Y230 WeakPolarHBondContact O-CD2 3.33Å; H228-Y230 PolarHBondContact O-N 3.31Å; Y230-P237 HydrophobicContact CE1-CG 3.95Å; Y230-P237 HydrophobicContact CE2-CG 4.38Å; Y230-F238 HydrophobicContact CE2-CZ 4.2Å; Y230-F238 WeakPolarHBondContact OH-CE2 3.5Å; Y230-F238 VanDerWaalsContact OH-CZ 3.31Å; Y230-F238 WeakPolarHBondContact OH-CZ 3.28Å | ||
| 231 | G | 70.1 | Confident | 85.5 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -73.1 | -138.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | H229 Q233 | H229-G231 VanDerWaalsContact C-N 3.34Å; H229-G231 PolarHBondContact O-N 3.22Å; G231-Q233 PolarHBondContact O-N 2.94Å |
| 232 | H | 57.8 | Low | 85.5 | Confident | 198 Ų | 198 | 66.1 Ų | 66.1 | 92% | 0.917 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -73.6 | 9.8 | 174.5 | -61.1 | -67.2 | 0 | 0 | 0 | 114.8 | K234 | H232-K234 PolarHBondContact O-N 2.73Š|
| 233 | Q | 63.9 | Low | 85.5 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | trans | -68.3 | 119.2 | -177 | -70.8 | -177.8 | -5.4 | 0 | 0 | 110.8 | H228 G231 | H228-Q233 PolarHBondContact CE1-OE1 2.98Å; H228-Q233 VanDerWaalsContact CE1-OE1 3.27Å; H228-Q233 PolarHBondContact NE2-OE1 2.73Å; G231-Q233 PolarHBondContact O-N 2.94Å | ||
| 234 | K | 66.8 | Low | 85.4 | Confident | 198 Ų | 198 | 67.1 Ų | 67.1 | 86% | 0.861 | 33% | 0.331 | S | S | * | . | trans | -84.4 | -14.6 | 177 | -66.6 | -176 | 178.4 | -179.7 | 0 | 113.6 | H232 | H232-K234 PolarHBondContact O-N 2.73Š| ||
| 235 | T | 80.3 | Confident | 85.2 | Confident | 106 Ų | 106 | 67.1 Ų | 67.1 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -97.4 | 151.3 | -174.3 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | P237 | T235-P237 WeakPolarHBondContact O-CD 3.47Š|
| 236 | C | 86.3 | Confident | 85.1 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | trans | -68.7 | 112 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | C37 F238 | C37-C236 WeakPolarHBondContact CA-SG 3.3Å; C37-C236 HydrophobicContact CB-CB 3.64Å; C37-C236 WeakPolarHBondContact CB-SG 3Å; C37-C236 WeakPolarHBondContact SG-CA 3.2Å; C37-C236 WeakPolarHBondContact SG-CB 3.46Å; C37-C236 CovalentContact SG-SG 2.03Å; C37-C236 PolarHBondContact SG-SG 3.29Å; C236-F238 VanDerWaalsContact C-N 3.31Å; C236-F238 PolarHBondContact O-N 2.8Å | ||
| 237 | P | 89 | Confident | 85 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.1 | -29.4 | -179.8 | 30.1 | -38.2 | 0 | 0 | 0 | 112.4 | H228 Y230 T235 R239 K240 L241 | H228-P237 HydrophobicContact CB-CB 4.47Å; H228-P237 HydrophobicContact CB-CG 4.02Å; H228-P237 VanDerWaalsContact CD2-CG 3.44Å; H228-P237 WeakPolarHBondContact CD2-CG 3.31Å; Y230-P237 HydrophobicContact CE1-CG 3.95Å; Y230-P237 HydrophobicContact CE2-CG 4.38Å; T235-P237 WeakPolarHBondContact O-CD 3.47Å; P237-R239 VanDerWaalsContact C-N 3.29Å; P237-R239 PolarHBondContact O-N 2.03Å; P237-K240 PolarHBondContact O-N 3.38Å; P237-L241 PolarHBondContact O-N 2.79Å |
| 238 | F | 94.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 73 Ų | 73 | 1% | 0.013 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67 | -26.7 | -172.4 | -62.2 | -19.6 | 0 | 0 | 0 | 113.8 | C37 I38 T41 D108 N109 Y110 H228 Y230 C236 K240 L241 H242 | C37-F238 HydrophobicContact CB-CD2 4.15Å; C37-F238 VanDerWaalsContact SG-CB 3.53Å; C37-F238 WeakPolarHBondContact SG-CD2 3.05Å; C37-F238 VanDerWaalsContact SG-CG 3.54Å; I38-F238 HydrophobicContact CD1-CE2 4.44Å; I38-F238 HydrophobicContact CG1-CD2 4.06Å; I38-F238 HydrophobicContact CG1-CE2 3.7Å; T41-F238 HydrophobicContact CG2-CB 3.98Å; D108-F238 VanDerWaalsContact C-CZ 3.48Å; D108-F238 VanDerWaalsContact O-CZ 3.3Å; D108-F238 WeakPolarHBondContact O-CZ 3.01Å; N109-F238 VanDerWaalsContact C-CZ 3.45Å; Y110-F238 HydrophobicContact CD2-CB 3.82Å; Y110-F238 HydrophobicContact CD2-CG 4.14Å; H228-F238 HydrophobicContact CB-CE1 3.87Å; Y230-F238 HydrophobicContact CE2-CZ 4.2Å; Y230-F238 WeakPolarHBondContact OH-CE2 3.5Å; Y230-F238 VanDerWaalsContact OH-CZ 3.31Å; Y230-F238 WeakPolarHBondContact OH-CZ 3.28Å; C236-F238 VanDerWaalsContact C-N 3.31Å; C236-F238 PolarHBondContact O-N 2.8Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.26Å; F238-L241 PolarHBondContact O-N 2.78Å; F238-H242 VanDerWaalsContact O-CB 3.24Å; F238-H242 WeakPolarHBondContact O-CB 3.45Å; F238-H242 PolarHBondContact O-N 3.21Å |
| 239 | R | 92.7 | Very high | 85 | Confident | 109 Ų | 109 | 71.5 Ų | 71.5 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177.1 | -173.3 | 179.8 | 176 | 86.3 | 5.4 | 111.4 | T41 P237 H242 C243 L251 | T41-R239 HydrophobicContact CG2-CB 4.14Å; P237-R239 VanDerWaalsContact C-N 3.29Å; P237-R239 PolarHBondContact O-N 2.03Å; R239-H242 PolarHBondContact O-N 2.83Å; R239-C243 PolarHBondContact O-N 2.99Å; R239-C243 PolarHBondContact O-SG 3.23Å; R239-C243 VanDerWaalsContact O-SG 3.33Å; R239-L251 PolarHBondContact NH1-O 3.32Å; R239-L251 PolarHBondContact NH2-O 3.29Å |
| 240 | K | 92.5 | Very high | 85.4 | Confident | 178 Ų | 178 | 70.3 Ų | 70.3 | 77% | 0.774 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 177.3 | -176.2 | -178.5 | 177.6 | -175.8 | 0 | 110.6 | P237 F238 C243 F244 | P237-K240 PolarHBondContact O-N 3.38Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.26Å; K240-C243 PolarHBondContact O-N 2.86Å; K240-F244 WeakPolarHBondContact O-CB 3.49Å; K240-F244 PolarHBondContact O-N 2.85Å |
| 241 | L | 93.7 | Very high | 86.3 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 176.4 | 177.5 | 60 | 0 | 0 | 0 | 111.5 | Y110 F226 P237 F238 C243 F244 L245 | Y110-L241 HydrophobicContact CD1-CD2 3.73Å; Y110-L241 HydrophobicContact CD1-CG 4.21Å; Y110-L241 HydrophobicContact CG-CD2 3.74Å; Y110-L241 HydrophobicContact CG-CG 4.39Å; F226-L241 HydrophobicContact CB-CD2 3.56Å; F226-L241 HydrophobicContact CD1-CD1 4.46Å; F226-L241 HydrophobicContact CD1-CD2 4.27Å; F226-L241 HydrophobicContact CD2-CD2 3.79Å; F226-L241 HydrophobicContact CE1-CD1 4.45Å; F226-L241 HydrophobicContact CE2-CD2 4.49Å; F226-L241 HydrophobicContact CG-CD2 3.64Å; F226-L241 HydrophobicContact CZ-CD1 4.48Å; P237-L241 PolarHBondContact O-N 2.79Å; F238-L241 PolarHBondContact O-N 2.78Å; L241-C243 VanDerWaalsContact C-N 3.31Å; L241-C243 PolarHBondContact O-N 3Å; L241-F244 WeakPolarHBondContact O-CB 3.35Å; L241-F244 PolarHBondContact O-N 3.16Å; L241-F244 VanDerWaalsContact O-N 3.09Å; L241-L245 HydrophobicContact CD1-CD1 4.06Å; L241-L245 HydrophobicContact CD1-CG 4.08Å; L241-L245 HydrophobicContact CG-CD1 4.09Å; L241-L245 HydrophobicContact CG-CG 4.47Å; L241-L245 WeakPolarHBondContact O-CG 3.47Å; L241-L245 PolarHBondContact O-N 2.96Å |
| 242 | H | 95.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.2 | -47.9 | 177.6 | -169.4 | 103.2 | 0 | 0 | 0 | 111.1 | Y110 F238 R239 F244 L245 F246 D249 | Y110-H242 HydrophobicContact CE2-CB 3.75Å; Y110-H242 AromaticContact CE2-ND1 3.48Å; Y110-H242 WeakPolarHBondContact CE2-ND1 3.44Å; Y110-H242 AromaticContact CZ-ND1 3.54Å; Y110-H242 PolarHBondContact OH-ND1 2.83Å; F238-H242 VanDerWaalsContact O-CB 3.24Å; F238-H242 WeakPolarHBondContact O-CB 3.45Å; F238-H242 PolarHBondContact O-N 3.21Å; R239-H242 PolarHBondContact O-N 2.83Å; H242-F244 PolarHBondContact O-N 3.06Å; H242-L245 CarbonylContact O-C 3.53Å; H242-L245 PolarHBondContact O-N 3.16Å; H242-F246 WeakPolarHBondContact O-CA 3.3Å; H242-F246 WeakPolarHBondContact O-CB 3.48Å; H242-F246 PolarHBondContact O-N 3.39Å; H242-D249 IonicContact CD2-OD2 3.37Å; H242-D249 IonicContact CE1-OD2 3.19Å; H242-D249 IonicContact NE2-OD2 2.69Å; H242-D249 PolarHBondContact NE2-OD2 3.43Å |
| 243 | C | 94.6 | Very high | 88.7 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.3 | -23.3 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | R239 K240 L241 P247 C252 | R239-C243 PolarHBondContact O-N 2.99Å; R239-C243 PolarHBondContact O-SG 3.23Å; R239-C243 VanDerWaalsContact O-SG 3.33Å; K240-C243 PolarHBondContact O-N 2.86Å; L241-C243 VanDerWaalsContact C-N 3.31Å; L241-C243 PolarHBondContact O-N 3Å; C243-P247 WeakPolarHBondContact O-CA 3.3Å; C243-C252 WeakPolarHBondContact CA-SG 3.1Å; C243-C252 HydrophobicContact CB-CB 3.72Å; C243-C252 WeakPolarHBondContact CB-SG 3.23Å; C243-C252 WeakPolarHBondContact SG-CA 3.4Å; C243-C252 WeakPolarHBondContact SG-CB 3.13Å; C243-C252 CovalentContact SG-SG 2.04Å; C243-C252 PolarHBondContact SG-SG 3.32Å |
| 244 | F | 94 | Very high | 89.3 | Confident | 81 Ų | 81 | 66 Ų | 66 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 167.8 | 175.8 | -105.6 | 0 | 0 | 0 | 111.2 | R217 A220 K240 L241 H242 | R217-F244 HydrophobicContact CB-CE1 4.33Å; R217-F244 HydrophobicContact CB-CE2 4.23Å; R217-F244 HydrophobicContact CB-CZ 3.92Å; R217-F244 WeakPolarHBondContact CD-O 3.45Å; R217-F244 WeakPolarHBondContact CG-O 3.29Å; R217-F244 PolarHBondContact NE-O 3.07Å; A220-F244 HydrophobicContact CB-CD1 4.35Å; A220-F244 HydrophobicContact CB-CE1 3.72Å; K240-F244 WeakPolarHBondContact O-CB 3.49Å; K240-F244 PolarHBondContact O-N 2.85Å; L241-F244 WeakPolarHBondContact O-CB 3.35Å; L241-F244 PolarHBondContact O-N 3.16Å; L241-F244 VanDerWaalsContact O-N 3.09Å; H242-F244 PolarHBondContact O-N 3.06Å |
| 245 | L | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.2 | -39.9 | 177.8 | -63 | 177 | 0 | 0 | 0 | 112.2 | Y110 A220 R221 F226 L241 H242 | Y110-L245 HydrophobicContact CD1-CD1 4.24Å; Y110-L245 HydrophobicContact CE1-CD1 3.53Å; A220-L245 HydrophobicContact CB-CD2 3.51Å; R221-L245 HydrophobicContact CG-CD2 4.14Å; R221-L245 PolarHBondContact NE-O 3.4Å; R221-L245 PolarHBondContact NH2-O 3.06Å; F226-L245 HydrophobicContact CE2-CD1 4.02Å; F226-L245 HydrophobicContact CZ-CD1 4.5Å; F226-L245 HydrophobicContact CZ-CD2 4.47Å; L241-L245 HydrophobicContact CD1-CD1 4.06Å; L241-L245 HydrophobicContact CD1-CG 4.08Å; L241-L245 HydrophobicContact CG-CD1 4.09Å; L241-L245 HydrophobicContact CG-CG 4.47Å; L241-L245 WeakPolarHBondContact O-CG 3.47Å; L241-L245 PolarHBondContact O-N 2.96Å; H242-L245 CarbonylContact O-C 3.53Å; H242-L245 PolarHBondContact O-N 3.16Å |
| 246 | F | 94.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.009 | 35% | 0.348 | C | S | . | . | trans | -135.5 | 67 | -167.9 | -55.7 | -61.1 | 0 | 0 | 0 | 111 | W7 F9 Y110 N112 F114 H242 D248 D249 C252 | W7-F246 AromaticContact CD1-CD1 3.85Å; W7-F246 AromaticContact CD1-CE1 3.93Å; W7-F246 HydrophobicContact CD2-CD1 4.36Å; W7-F246 AromaticContact CD2-CE1 3.71Å; W7-F246 HydrophobicContact CD2-CE1 3.71Å; W7-F246 AromaticContact CE2-CE1 3.72Å; W7-F246 HydrophobicContact CE3-CE1 4.29Å; W7-F246 AromaticContact CG-CD1 4Å; W7-F246 HydrophobicContact CG-CD1 4Å; W7-F246 AromaticContact CG-CE1 3.83Å; W7-F246 HydrophobicContact CG-CE1 3.83Å; W7-F246 HydrophobicContact CZ2-CE1 4.26Å; W7-F246 AromaticContact NE1-CE1 3.86Å; F9-F246 HydrophobicContact CE1-CB 4.35Å; F9-F246 HydrophobicContact CE1-CG 4.36Å; F9-F246 HydrophobicContact CZ-CB 3.92Å; F9-F246 HydrophobicContact CZ-CD1 4.07Å; F9-F246 HydrophobicContact CZ-CG 4.09Å; Y110-F246 WeakPolarHBondContact OH-CE2 3.48Å; N112-F246 WeakPolarHBondContact OD1-CZ 3.28Å; F114-F246 AromaticContact CD2-CE1 3.78Å; F114-F246 HydrophobicContact CD2-CE1 3.78Å; F114-F246 HydrophobicContact CD2-CE2 4.25Å; F114-F246 AromaticContact CD2-CZ 3.56Å; F114-F246 HydrophobicContact CD2-CZ 3.56Å; F114-F246 HydrophobicContact CE2-CD1 4.32Å; F114-F246 AromaticContact CE2-CE1 3.88Å; F114-F246 HydrophobicContact CE2-CE1 3.88Å; F114-F246 HydrophobicContact CE2-CE2 4.29Å; F114-F246 AromaticContact CE2-CZ 3.87Å; F114-F246 HydrophobicContact CE2-CZ 3.87Å; H242-F246 WeakPolarHBondContact O-CA 3.3Å; H242-F246 WeakPolarHBondContact O-CB 3.48Å; H242-F246 PolarHBondContact O-N 3.39Å; F246-D248 PolarHBondContact O-N 3.36Å; F246-D249 HydrophobicContact CB-CB 4.15Å; F246-D249 VanDerWaalsContact O-CB 3.29Å; F246-D249 WeakPolarHBondContact O-CB 3.35Å; F246-D249 PolarHBondContact O-N 3.01Å; F246-C252 PolarHBondContact O-SG 3.07Å | ||
| 247 | P | 93.3 | Very high | 86.8 | Confident | 42 Ų | 42 | 78.9 Ų | 78.9 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.4 | -177 | 26.9 | -35.5 | 0 | 0 | 0 | 113.5 | C243 D249 | C243-P247 WeakPolarHBondContact O-CA 3.3Å; P247-D249 VanDerWaalsContact C-N 3.34Å |
| 248 | D | 90.7 | Very high | 86.7 | Confident | 125 Ų | 125 | 81.8 Ų | 81.8 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.1 | -178.4 | -55.5 | -48.1 | 0 | 0 | 0 | 113.2 | F246 | F246-D248 PolarHBondContact O-N 3.36Š|
| 249 | D | 90.6 | Very high | 86.3 | Confident | 16 Ų | 16 | 85.9 Ų | 85.9 | 9% | 0.086 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -60.9 | 139.9 | 175.5 | -169.7 | -49.5 | 0 | 0 | 0 | 110.2 | F9 H242 F246 P247 L251 C252 K253 | F9-D249 HydrophobicContact CE1-CB 4.06Å; F9-D249 WeakPolarHBondContact CE1-OD2 2.91Å; F9-D249 HydrophobicContact CZ-CB 4.03Å; H242-D249 IonicContact CD2-OD2 3.37Å; H242-D249 IonicContact CE1-OD2 3.19Å; H242-D249 IonicContact NE2-OD2 2.69Å; H242-D249 PolarHBondContact NE2-OD2 3.43Å; F246-D249 HydrophobicContact CB-CB 4.15Å; F246-D249 VanDerWaalsContact O-CB 3.29Å; F246-D249 WeakPolarHBondContact O-CB 3.35Å; F246-D249 PolarHBondContact O-N 3.01Å; P247-D249 VanDerWaalsContact C-N 3.34Å; D249-L251 PolarHBondContact O-N 2.95Å; D249-L251 WeakPolarHBondContact OD1-CB 3.45Å; D249-L251 PolarHBondContact OD1-N 3.13Å; D249-C252 WeakPolarHBondContact O-CB 3.38Å; D249-C252 PolarHBondContact O-N 3.31Å; D249-K253 PolarHBondContact O-N 3.03Å |
| 250 | T | 89 | Confident | 86 | Confident | 110 Ų | 110 | 84.6 Ų | 84.6 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -59.2 | -29.4 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | C252 K253 | T250-C252 PolarHBondContact O-N 3.06Å; T250-K253 PolarHBondContact O-N 3.27Å |
| 251 | L | 88.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -57.3 | -29.6 | 172.8 | -173.6 | 67.6 | 0 | 0 | 0 | 112.5 | E40 T41 R239 D249 | E40-L251 WeakPolarHBondContact O-CD1 3.48Å; E40-L251 WeakPolarHBondContact O-CD2 3.24Å; T41-L251 HydrophobicContact CG2-CD2 4.29Å; R239-L251 PolarHBondContact NH1-O 3.32Å; R239-L251 PolarHBondContact NH2-O 3.29Å; D249-L251 PolarHBondContact O-N 2.95Å; D249-L251 WeakPolarHBondContact OD1-CB 3.45Å; D249-L251 PolarHBondContact OD1-N 3.13Å |
| 252 | C | 91.4 | Very high | 85.1 | Confident | 26 Ų | 26 | 81.8 Ų | 81.8 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -97.4 | -7.6 | -173.3 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | C243 F246 D249 T250 | C243-C252 WeakPolarHBondContact CA-SG 3.1Å; C243-C252 HydrophobicContact CB-CB 3.72Å; C243-C252 WeakPolarHBondContact CB-SG 3.23Å; C243-C252 WeakPolarHBondContact SG-CA 3.4Å; C243-C252 WeakPolarHBondContact SG-CB 3.13Å; C243-C252 CovalentContact SG-SG 2.04Å; C243-C252 PolarHBondContact SG-SG 3.32Å; F246-C252 PolarHBondContact O-SG 3.07Å; D249-C252 WeakPolarHBondContact O-CB 3.38Å; D249-C252 PolarHBondContact O-N 3.31Å; T250-C252 PolarHBondContact O-N 3.06Å |
| 253 | K | 86.2 | Confident | 84.4 | Confident | 123 Ų | 123 | 87.1 Ų | 87.1 | 54% | 0.535 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -68.5 | 139.6 | 174.3 | -65.3 | -178.7 | -177.1 | 177 | 0 | 109.6 | D249 T250 V255 | D249-K253 PolarHBondContact O-N 3.03Å; T250-K253 PolarHBondContact O-N 3.27Å; K253-V255 PolarHBondContact O-N 3.23Å |
| 254 | P | 76.3 | Confident | 83.7 | Confident | 120 Ų | 120 | 91.1 Ų | 91.1 | 78% | 0.779 | 47% | 0.467 | S | S | * | . | trans | -56.9 | 135.3 | 171.3 | -18.7 | 29.7 | 0 | 0 | 0 | 109.5 | K256 | P254-K256 PolarHBondContact O-N 2.81Å; P254-K256 VanDerWaalsContact O-N 3.08Å | ||
| 255 | V | 70.3 | Confident | 82.9 | Confident | 130 Ų | 130 | 91.9 Ų | 91.9 | 79% | 0.788 | 48% | 0.476 | S | S | * | . | trans | -61.5 | 115.8 | 168 | -176.6 | 0 | 0 | 0 | 0 | 106.2 | K253 K257 | K253-V255 PolarHBondContact O-N 3.23Å; V255-K257 PolarHBondContact O-N 3.11Å | ||
| 256 | K | 64.1 | Low | 81.9 | Confident | 201 Ų | 201 | 99.6 Ų | 99.6 | 87% | 0.874 | 52% | 0.516 | S | S | * | . | trans | -60.1 | 114 | 168.9 | -73.1 | -173.3 | 177.3 | -177 | 0 | 106.2 | P254 | P254-K256 PolarHBondContact O-N 2.81Å; P254-K256 VanDerWaalsContact O-N 3.08Å | ||
| 257 | K | 47.8 | Very low | 80.8 | Confident | 276 Ų | 276 | 108.5 Ų | 108.5 | 100% | 1.2 | 56% | 0.562 | S | S | * | * | trans | -64.9 | 0 | 170.9 | -78.3 | -174.2 | 175.5 | -178.2 | 0 | 110 | V255 | V255-K257 PolarHBondContact O-N 3.11Š|
Retrieved 257 of 257 residues in 229.9 ms
(Link to these results)