| 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 | 34.3 | Very low | 31.8 | Very low | 245 Ų | 245 | 151.7 Ų | 151.7 | 100% | 1.207 | 81% | 0.811 | S | S | * | * | 0 | 138.7 | 0 | -73.4 | 174.1 | 167.8 | 0 | 0 | 107.5 | |||||
| 2 | V | 33.8 | Very low | 31.5 | Very low | 139 Ų | 139 | 155.7 Ų | 155.7 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -79.8 | 135.8 | -167.3 | -179 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | T | 33.5 | Very low | 31 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | trans | -85 | 133.6 | 175.1 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | N | 30.9 | Very low | 31.1 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -124.3 | 82.8 | 170.2 | -87.5 | -20.3 | 0 | 0 | 0 | 109.7 | ||||
| 5 | N | 32.2 | Very low | 31.1 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -105 | -9.6 | 171.7 | -86.5 | -10.6 | 0 | 0 | 0 | 113.1 | A7 | N5-A7 PolarHBondContact O-N 2.84Å; N5-A7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | D | 30.6 | Very low | 31.2 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -74.8 | -1.1 | -170.9 | -52.1 | -53.4 | 0 | 0 | 0 | 114.4 | ||
| 7 | A | 31 | Very low | 31.7 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -78 | -14.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N5 | N5-A7 PolarHBondContact O-N 2.84Å; N5-A7 VanDerWaalsContact O-N 3.08Å |
| 8 | I | 34.3 | Very low | 32.1 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -123.4 | 48.2 | -174.9 | -39.6 | -175.3 | 0 | 0 | 0 | 112.1 | ||
| 9 | Q | 31.6 | Very low | 32.9 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -123.6 | -12.5 | 159.8 | -71.6 | -159.3 | 4.6 | 0 | 0 | 114.5 | L11 | Q9-L11 VanDerWaalsContact C-N 3.35Å; Q9-L11 PolarHBondContact O-N 3.44Å |
| 10 | F | 28.3 | Very low | 33.5 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -1.4 | -173.3 | -94 | -82.2 | 0 | 0 | 0 | 116.5 | ||
| 11 | L | 28.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -8.7 | -174.5 | -67.1 | 176.8 | 0 | 0 | 0 | 115.8 | Q9 | Q9-L11 VanDerWaalsContact C-N 3.35Å; Q9-L11 PolarHBondContact O-N 3.44Å |
| 12 | F | 29.1 | Very low | 37.5 | Very low | 199 Ų | 199 | 134.8 Ų | 134.8 | 87% | 0.873 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -133.7 | 29.6 | -178 | -74.1 | -72.2 | 0 | 0 | 0 | 114.4 | ||
| 13 | S | 24.8 | Very low | 40.2 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -87.9 | 123.2 | 161 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | K15 | S13-K15 PolarHBondContact O-N 3.19Š|
| 14 | P | 31.8 | Very low | 42.9 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | trans | -62.1 | 125.7 | 172.4 | 27.1 | -32.8 | 0 | 0 | 0 | 108 | T16 | P14-T16 VanDerWaalsContact C-N 3.27Å; P14-T16 PolarHBondContact O-N 3.41Å | ||
| 15 | K | 31.2 | Very low | 45.8 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | trans | -67.8 | 86.1 | -178.5 | -71.8 | -178.6 | 179.6 | 175.2 | 0 | 110.3 | S13 Y17 | S13-K15 PolarHBondContact O-N 3.19Å; K15-Y17 PolarHBondContact O-N 2.98Å | ||
| 16 | T | 32.2 | Very low | 48.8 | Very low | 111 Ų | 111 | 125 Ų | 125 | 68% | 0.681 | 62% | 0.623 | S | S | * | * | trans | -54 | 107.7 | 163.3 | 44.7 | 0 | 0 | 0 | 0 | 107.2 | P14 N18 | P14-T16 VanDerWaalsContact C-N 3.27Å; P14-T16 PolarHBondContact O-N 3.41Å; T16-N18 VanDerWaalsContact C-N 3.32Å; T16-N18 PolarHBondContact O-N 3.3Å | ||
| 17 | Y | 41 | Very low | 51.7 | Low | 111 Ų | 111 | 121.3 Ų | 121.3 | 44% | 0.435 | 60% | 0.603 | S | S | . | * | trans | -66.2 | 95.2 | -173.7 | -172.5 | -85.5 | 0 | 0 | 0 | 108.8 | K15 M19 V153 | K15-Y17 PolarHBondContact O-N 2.98Å; Y17-M19 PolarHBondContact O-N 3.03Å; Y17-V153 HydrophobicContact CD1-CG1 4.44Å; Y17-V153 HydrophobicContact CD1-CG2 3.86Å; Y17-V153 HydrophobicContact CE1-CG2 3.53Å; Y17-V153 HydrophobicContact CE2-CG2 4.36Å; Y17-V153 HydrophobicContact CG-CG2 4.43Å | ||
| 18 | N | 38.9 | Very low | 54.8 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | trans | -82 | 109.5 | -165.9 | -141.6 | -50.5 | 0 | 0 | 0 | 108.2 | T16 R20 Q21 | T16-N18 VanDerWaalsContact C-N 3.32Å; T16-N18 PolarHBondContact O-N 3.3Å; N18-R20 PolarHBondContact O-N 2.87Å; N18-R20 WeakPolarHBondContact OD1-CD 3.25Å; N18-R20 VanDerWaalsContact OD1-CG 3.26Å; N18-R20 WeakPolarHBondContact OD1-CG 3.27Å; N18-Q21 PolarHBondContact O-N 3.44Å | ||
| 19 | M | 47 | Very low | 57.7 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -51.8 | -16 | 175.2 | -75.9 | -87.8 | -78.2 | 0 | 0 | 113.2 | Y17 Q21 E22 L27 | Y17-M19 PolarHBondContact O-N 3.03Å; M19-Q21 PolarHBondContact O-N 3.25Å; M19-E22 VanDerWaalsContact O-CB 3.26Å; M19-E22 WeakPolarHBondContact O-CB 3.07Å; M19-E22 PolarHBondContact O-N 3.48Å; M19-E22 VanDerWaalsContact O-N 3.1Å; M19-L27 HydrophobicContact CE-CD1 3.57Å |
| 20 | R | 45.6 | Very low | 60.8 | Low | 228 Ų | 228 | 107.9 Ų | 107.9 | 86% | 0.86 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -59.7 | -11.4 | 170.2 | -66.4 | -177.6 | 176.9 | -155.2 | -1.8 | 115.8 | N18 | N18-R20 PolarHBondContact O-N 2.87Å; N18-R20 WeakPolarHBondContact OD1-CD 3.25Å; N18-R20 VanDerWaalsContact OD1-CG 3.26Å; N18-R20 WeakPolarHBondContact OD1-CG 3.27Å |
| 21 | Q | 66.9 | Low | 63.9 | Low | 184 Ų | 184 | 99.8 Ų | 99.8 | 86% | 0.86 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -101.6 | 1.7 | 172.5 | -71 | -171 | -22 | 0 | 0 | 114 | N18 M19 | N18-Q21 PolarHBondContact O-N 3.44Å; M19-Q21 PolarHBondContact O-N 3.25Å |
| 22 | E | 84.6 | Confident | 67.1 | Low | 23 Ų | 23 | 95.8 Ų | 95.8 | 11% | 0.107 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -72.1 | 136.9 | 178.1 | -166.6 | 61.5 | -104.6 | 0 | 0 | 111.5 | M19 H26 L27 L30 R150 | M19-E22 VanDerWaalsContact O-CB 3.26Å; M19-E22 WeakPolarHBondContact O-CB 3.07Å; M19-E22 PolarHBondContact O-N 3.48Å; M19-E22 VanDerWaalsContact O-N 3.1Å; E22-H26 HydrophobicContact CG-CB 4.19Å; E22-H26 VanDerWaalsContact OE1-CB 3.3Å; E22-H26 WeakPolarHBondContact OE1-CB 3.17Å; E22-H26 IonicContact OE1-CG 2.83Å; E22-H26 IonicContact OE1-ND1 3.54Å; E22-L27 HydrophobicContact CB-CB 4.45Å; E22-L27 HydrophobicContact CG-CB 3.95Å; E22-L27 HydrophobicContact CG-CD1 4.32Å; E22-L30 HydrophobicContact CG-CD1 4.15Å; E22-R150 WeakPolarHBondContact OE1-CD 3.35Å; E22-R150 IonicContact OE1-CZ 2.85Å; E22-R150 IonicContact OE1-NE 3.61Å; E22-R150 PolarHBondContact OE1-NE 3.49Å; E22-R150 IonicContact OE2-CZ 2.8Å; E22-R150 VanDerWaalsContact OE2-CZ 3.25Å; E22-R150 IonicContact OE2-NE 3.61Å; E22-R150 PolarHBondContact OE2-NE 2.81Å; E22-R150 IonicContact OE2-NH2 3.16Å; E22-R150 PolarHBondContact OE2-NH2 3.23Å |
| 23 | K | 89.6 | Confident | 70.3 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | trans | -68.4 | 138.6 | 179 | -64.6 | -169.9 | 175.3 | -173.5 | 0 | 109.5 | R25 H26 L27 D147 | K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.87Å; K23-R25 VanDerWaalsContact O-N 3.13Å; K23-H26 HydrophobicContact CB-CB 4.45Å; K23-H26 WeakPolarHBondContact O-CA 3.47Å; K23-H26 WeakPolarHBondContact O-CB 3.48Å; K23-H26 PolarHBondContact O-N 2.83Å; K23-L27 PolarHBondContact O-N 3.4Å; K23-D147 WeakPolarHBondContact CE-O 3.5Å; K23-D147 PolarHBondContact NZ-O 3.03Å; K23-D147 IonicContact NZ-OD1 2.7Å; K23-D147 PolarHBondContact NZ-OD1 2.88Å; K23-D147 VanDerWaalsContact NZ-OD1 3.16Å | ||
| 24 | P | 91.4 | Very high | 73.7 | Confident | 111 Ų | 111 | 83.3 Ų | 83.3 | 72% | 0.721 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -54.6 | -38.7 | -174.3 | -30.1 | 35.7 | 0 | 0 | 0 | 114.9 | L27 K28 | P24-L27 PolarHBondContact O-N 3.49Å; P24-K28 PolarHBondContact O-N 2.97Å |
| 25 | R | 90.4 | Very high | 76.7 | Confident | 114 Ų | 114 | 79.8 Ų | 79.8 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.8 | -177.2 | 177.5 | 174.6 | -175 | -2.8 | 111.8 | K23 Y29 | K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.87Å; K23-R25 VanDerWaalsContact O-N 3.13Å; R25-Y29 HydrophobicContact CG-CD2 4.49Å; R25-Y29 HydrophobicContact CG-CE2 4.49Å; R25-Y29 WeakPolarHBondContact O-CD2 3.49Å; R25-Y29 PolarHBondContact O-N 3.11Å |
| 26 | H | 94.6 | Very high | 79.8 | Confident | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 177.9 | -64 | 157.3 | 0 | 0 | 0 | 111.4 | E22 K23 K28 Y29 L30 F118 D148 | E22-H26 HydrophobicContact CG-CB 4.19Å; E22-H26 VanDerWaalsContact OE1-CB 3.3Å; E22-H26 WeakPolarHBondContact OE1-CB 3.17Å; E22-H26 IonicContact OE1-CG 2.83Å; E22-H26 IonicContact OE1-ND1 3.54Å; K23-H26 HydrophobicContact CB-CB 4.45Å; K23-H26 WeakPolarHBondContact O-CA 3.47Å; K23-H26 WeakPolarHBondContact O-CB 3.48Å; K23-H26 PolarHBondContact O-N 2.83Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 2.93Å; H26-Y29 PolarHBondContact O-N 2.74Å; H26-L30 WeakPolarHBondContact O-CG 3.27Å; H26-L30 PolarHBondContact O-N 2.98Å; H26-F118 HydrophobicContact CB-CE1 3.93Å; H26-F118 AromaticContact CD2-CE1 3.87Å; H26-D148 IonicContact CD2-OD1 2.63Å; H26-D148 PolarHBondContact CE1-O 2.99Å; H26-D148 IonicContact CE1-OD1 2.75Å; H26-D148 PolarHBondContact NE2-O 3.34Å; H26-D148 IonicContact NE2-OD1 2.73Å; H26-D148 PolarHBondContact NE2-OD1 2.85Å |
| 27 | L | 93.5 | Very high | 82.8 | Confident | 54 Ų | 54 | 75 Ų | 75 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57 | -40.4 | 176.9 | -173.2 | 62 | 0 | 0 | 0 | 112.1 | M19 E22 K23 P24 L30 N31 | M19-L27 HydrophobicContact CE-CD1 3.57Å; E22-L27 HydrophobicContact CB-CB 4.45Å; E22-L27 HydrophobicContact CG-CB 3.95Å; E22-L27 HydrophobicContact CG-CD1 4.32Å; K23-L27 PolarHBondContact O-N 3.4Å; P24-L27 PolarHBondContact O-N 3.49Å; L27-L30 PolarHBondContact O-N 3.49Å; L27-N31 VanDerWaalsContact CD1-ND2 3.31Å; L27-N31 WeakPolarHBondContact CD1-ND2 3Å; L27-N31 WeakPolarHBondContact CG-ND2 3.47Å; L27-N31 WeakPolarHBondContact O-CB 3.37Å; L27-N31 PolarHBondContact O-N 2.79Å; L27-N31 PolarHBondContact O-ND2 3.08Å |
| 28 | K | 95.2 | Very high | 85.4 | Confident | 102 Ų | 102 | 70 Ų | 70 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 174.9 | -158.8 | -171.1 | -179.1 | 176.9 | 0 | 112.1 | P24 H26 L30 N31 E32 F55 | P24-K28 PolarHBondContact O-N 2.97Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 2.93Å; K28-L30 PolarHBondContact O-N 2.79Å; K28-N31 PolarHBondContact O-N 2.73Å; K28-E32 WeakPolarHBondContact CE-OE2 3.37Å; K28-E32 WeakPolarHBondContact CG-OE2 3.38Å; K28-E32 WeakPolarHBondContact O-CB 3.42Å; K28-E32 PolarHBondContact O-N 3.32Å; K28-F55 HydrophobicContact CD-CE1 4.49Å; K28-F55 HydrophobicContact CD-CZ 4.07Å; K28-F55 HydrophobicContact CG-CE1 4.49Å; K28-F55 HydrophobicContact CG-CZ 3.97Å |
| 29 | Y | 96 | Very high | 88.1 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 178.4 | -87.2 | -81 | 0 | 0 | 0 | 112.6 | R25 H26 N31 F33 F55 R64 Y113 F118 L138 H139 | R25-Y29 HydrophobicContact CG-CD2 4.49Å; R25-Y29 HydrophobicContact CG-CE2 4.49Å; R25-Y29 WeakPolarHBondContact O-CD2 3.49Å; R25-Y29 PolarHBondContact O-N 3.11Å; H26-Y29 PolarHBondContact O-N 2.74Å; Y29-N31 PolarHBondContact O-N 3.25Å; Y29-F33 HydrophobicContact CD1-CB 3.74Å; Y29-F33 AromaticContact CD1-CD2 3.91Å; Y29-F33 HydrophobicContact CD1-CD2 3.91Å; Y29-F33 AromaticContact CD1-CG 3.8Å; Y29-F33 HydrophobicContact CD1-CG 3.8Å; Y29-F33 HydrophobicContact CE1-CB 4.42Å; Y29-F33 AromaticContact CE1-CD2 3.75Å; Y29-F33 HydrophobicContact CE1-CD2 3.75Å; Y29-F33 HydrophobicContact CE1-CE2 4.22Å; Y29-F33 HydrophobicContact CE1-CG 4.12Å; Y29-F33 WeakPolarHBondContact O-CB 3.13Å; Y29-F55 AromaticContact CD1-CE2 3.84Å; Y29-F55 HydrophobicContact CD1-CE2 3.84Å; Y29-F55 HydrophobicContact CD2-CE2 4.42Å; Y29-F55 HydrophobicContact CE1-CD2 4.12Å; Y29-F55 AromaticContact CE1-CE2 3.65Å; Y29-F55 HydrophobicContact CE1-CE2 3.65Å; Y29-F55 HydrophobicContact CE2-CE2 4.24Å; Y29-F55 HydrophobicContact CG-CE2 4.23Å; Y29-F55 AromaticContact CZ-CE2 3.85Å; Y29-R64 PolarHBondContact O-NH1 3.34Å; Y29-Y113 HydrophobicContact CD1-CD1 4.15Å; Y29-Y113 AromaticContact CD1-CE1 3.48Å; Y29-Y113 HydrophobicContact CD1-CE1 3.48Å; Y29-Y113 VanDerWaalsContact CD1-CE1 3.48Å; Y29-Y113 HydrophobicContact CE1-CE1 4.19Å; Y29-Y113 HydrophobicContact CG-CE1 4.22Å; Y29-F118 VanDerWaalsContact CB-CZ 3.47Å; Y29-F118 HydrophobicContact CD2-CZ 4.35Å; Y29-F118 HydrophobicContact CG-CE2 4.34Å; Y29-F118 AromaticContact CG-CZ 3.95Å; Y29-F118 HydrophobicContact CG-CZ 3.95Å; Y29-L138 PolarHBondContact OH-O 2.81Å; Y29-L138 VanDerWaalsContact OH-O 3.09Å; Y29-H139 AromaticContact CE1-CE1 2.71Å; Y29-H139 WeakPolarHBondContact CE1-CE1 3.19Å; Y29-H139 AromaticContact CE1-ND1 3.62Å; Y29-H139 AromaticContact CZ-CE1 2.68Å; Y29-H139 AromaticContact CZ-ND1 3.69Å; Y29-H139 PolarHBondContact OH-CE1 3.37Å; Y29-H139 PolarHBondContact OH-ND1 3.05Å |
| 30 | L | 95.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 176.4 | -70.7 | 173.1 | 0 | 0 | 0 | 112.3 | E22 H26 L27 K28 R64 Y113 P115 F118 | E22-L30 HydrophobicContact CG-CD1 4.15Å; H26-L30 WeakPolarHBondContact O-CG 3.27Å; H26-L30 PolarHBondContact O-N 2.98Å; L27-L30 PolarHBondContact O-N 3.49Å; K28-L30 PolarHBondContact O-N 2.79Å; L30-R64 PolarHBondContact O-NH1 3.28Å; L30-R64 PolarHBondContact O-NH2 2.71Å; L30-Y113 WeakPolarHBondContact CD2-O 2.79Å; L30-P115 HydrophobicContact CD2-CG 4.1Å; L30-F118 HydrophobicContact CD1-CD1 4.46Å; L30-F118 HydrophobicContact CD2-CB 3.69Å; L30-F118 HydrophobicContact CD2-CD1 3.71Å; L30-F118 HydrophobicContact CD2-CG 3.9Å; L30-F118 HydrophobicContact CG-CD1 3.85Å; L30-F118 HydrophobicContact CG-CE1 4.43Å; L30-F118 HydrophobicContact CG-CG 4.49Å |
| 31 | N | 94.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -89.8 | -38.7 | -174.5 | -69.7 | -35.1 | 0 | 0 | 0 | 115.2 | L27 K28 Y29 T35 R66 | L27-N31 VanDerWaalsContact CD1-ND2 3.31Å; L27-N31 WeakPolarHBondContact CD1-ND2 3Å; L27-N31 WeakPolarHBondContact CG-ND2 3.47Å; L27-N31 WeakPolarHBondContact O-CB 3.37Å; L27-N31 PolarHBondContact O-N 2.79Å; L27-N31 PolarHBondContact O-ND2 3.08Å; K28-N31 PolarHBondContact O-N 2.73Å; Y29-N31 PolarHBondContact O-N 3.25Å; N31-T35 VanDerWaalsContact O-CG2 3.3Å; N31-T35 WeakPolarHBondContact O-CG2 3.39Å; N31-T35 PolarHBondContact O-OG1 3.03Å; N31-R66 VanDerWaalsContact OD1-CZ 3.3Å; N31-R66 PolarHBondContact OD1-NE 3.34Å; N31-R66 PolarHBondContact OD1-NH2 3.04Å |
| 32 | E | 95.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 59.1 Ų | 59.1 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -120 | -24.1 | -159.3 | -62.6 | 153.9 | -129.2 | 0 | 0 | 113.8 | K28 R34 T35 F55 | K28-E32 WeakPolarHBondContact CE-OE2 3.37Å; K28-E32 WeakPolarHBondContact CG-OE2 3.38Å; K28-E32 WeakPolarHBondContact O-CB 3.42Å; K28-E32 PolarHBondContact O-N 3.32Å; E32-R34 PolarHBondContact O-N 2.65Å; E32-T35 WeakPolarHBondContact CA-OG1 3.46Å; E32-T35 PolarHBondContact O-N 3.41Å; E32-T35 VanDerWaalsContact O-N 3.1Å; E32-T35 PolarHBondContact O-OG1 3.15Å; E32-F55 HydrophobicContact CB-CE1 3.61Å; E32-F55 HydrophobicContact CB-CZ 4.12Å |
| 33 | F | 96 | Very high | 94.3 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 117.2 | -176.5 | -178.9 | -106.6 | 0 | 0 | 0 | 111 | Y29 T35 F55 R64 T109 Y113 H139 | Y29-F33 HydrophobicContact CD1-CB 3.74Å; Y29-F33 AromaticContact CD1-CD2 3.91Å; Y29-F33 HydrophobicContact CD1-CD2 3.91Å; Y29-F33 AromaticContact CD1-CG 3.8Å; Y29-F33 HydrophobicContact CD1-CG 3.8Å; Y29-F33 HydrophobicContact CE1-CB 4.42Å; Y29-F33 AromaticContact CE1-CD2 3.75Å; Y29-F33 HydrophobicContact CE1-CD2 3.75Å; Y29-F33 HydrophobicContact CE1-CE2 4.22Å; Y29-F33 HydrophobicContact CE1-CG 4.12Å; Y29-F33 WeakPolarHBondContact O-CB 3.13Å; F33-T35 PolarHBondContact O-N 3.31Å; F33-F55 HydrophobicContact CB-CE1 4.44Å; F33-F55 HydrophobicContact CB-CE2 4Å; F33-F55 HydrophobicContact CB-CZ 3.91Å; F33-F55 AromaticContact CD2-CD2 3.63Å; F33-F55 HydrophobicContact CD2-CD2 3.63Å; F33-F55 AromaticContact CD2-CE2 3.8Å; F33-F55 HydrophobicContact CD2-CE2 3.8Å; F33-F55 HydrophobicContact CD2-CG 4.12Å; F33-F55 HydrophobicContact CD2-CZ 4.44Å; F33-F55 HydrophobicContact CE2-CD2 4.38Å; F33-F55 HydrophobicContact CG-CE2 4.39Å; F33-R64 WeakPolarHBondContact O-CD 3.49Å; F33-R64 PolarHBondContact O-NH1 3.16Å; F33-T109 HydrophobicContact CE1-CG2 4.05Å; F33-Y113 HydrophobicContact CD1-CD1 4.04Å; F33-Y113 AromaticContact CD1-CD2 3.86Å; F33-Y113 HydrophobicContact CD1-CD2 3.86Å; F33-Y113 AromaticContact CD1-CE1 3.78Å; F33-Y113 HydrophobicContact CD1-CE1 3.78Å; F33-Y113 AromaticContact CD1-CE2 3.6Å; F33-Y113 HydrophobicContact CD1-CE2 3.6Å; F33-Y113 HydrophobicContact CD1-CG 4.06Å; F33-Y113 AromaticContact CD1-CZ 3.53Å; F33-Y113 HydrophobicContact CE1-CD2 4.01Å; F33-Y113 HydrophobicContact CE1-CE1 4.16Å; F33-Y113 AromaticContact CE1-CE2 3.36Å; F33-Y113 HydrophobicContact CE1-CE2 3.36Å; F33-Y113 AromaticContact CE1-CZ 3.43Å; F33-Y113 VanDerWaalsContact CE1-CZ 3.43Å; F33-Y113 HydrophobicContact CG-CE1 4.25Å; F33-Y113 HydrophobicContact CZ-CE2 4.34Å; F33-H139 HydrophobicContact CE2-CB 4.5Å; F33-H139 AromaticContact CE2-ND1 3.9Å; F33-H139 HydrophobicContact CZ-CB 4.48Å |
| 34 | R | 95.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 66.9 Ų | 66.9 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 28.3 | -175.2 | -64.3 | -171.9 | 175.3 | -174.5 | -2.6 | 115 | E32 Y52 F55 W57 R64 A106 | E32-R34 PolarHBondContact O-N 2.65Å; R34-Y52 PolarHBondContact NH2-O 2.92Å; R34-F55 PolarHBondContact N-O 3.3Å; R34-W57 HydrophobicContact CB-CB 4.43Å; R34-R64 HydrophobicContact CB-CB 4.23Å; R34-R64 WeakPolarHBondContact O-CB 3.48Å; R34-R64 PolarHBondContact O-N 2.8Å; R34-A106 PolarHBondContact NH1-O 2.77Å; R34-A106 VanDerWaalsContact NH1-O 3.07Å |
| 35 | T | 95.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 67.7 Ų | 67.7 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -31.4 | 173.7 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | N31 E32 F33 W57 R64 R66 | N31-T35 VanDerWaalsContact O-CG2 3.3Å; N31-T35 WeakPolarHBondContact O-CG2 3.39Å; N31-T35 PolarHBondContact O-OG1 3.03Å; E32-T35 WeakPolarHBondContact CA-OG1 3.46Å; E32-T35 PolarHBondContact O-N 3.41Å; E32-T35 VanDerWaalsContact O-N 3.1Å; E32-T35 PolarHBondContact O-OG1 3.15Å; F33-T35 PolarHBondContact O-N 3.31Å; T35-W57 PolarHBondContact O-NE1 2.75Å; T35-W57 VanDerWaalsContact O-NE1 3.07Å; T35-R64 WeakPolarHBondContact CA-O 3.46Å; T35-R64 WeakPolarHBondContact CG2-O 3.37Å; T35-R66 HydrophobicContact CG2-CB 4.25Å |
| 36 | Q | 95.5 | Very high | 94.5 | Very high | 121 Ų | 121 | 62.4 Ų | 62.4 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -107.9 | 150.6 | 176.7 | -68.2 | 175.7 | -21.2 | 0 | 0 | 112.5 | H56 W57 | Q36-H56 WeakPolarHBondContact O-CA 3.47Å; Q36-H56 VanDerWaalsContact O-CB 3.29Å; Q36-H56 WeakPolarHBondContact O-CB 3.17Å; Q36-W57 PolarHBondContact O-N 3.4Å |
| 37 | Q | 95.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 148.4 | 175.3 | -163 | 167 | 16.5 | 0 | 0 | 110.9 | L39 W57 | Q37-L39 PolarHBondContact O-N 3.23Å; Q37-W57 CarbonylContact C-O 3.14Å; Q37-W57 VanDerWaalsContact CA-O 3.31Å; Q37-W57 WeakPolarHBondContact CA-O 3.46Å; Q37-W57 HydrophobicContact CB-CD2 4Å; Q37-W57 HydrophobicContact CB-CE3 4.1Å; Q37-W57 HydrophobicContact CB-CH2 3.78Å; Q37-W57 HydrophobicContact CB-CZ2 3.67Å; Q37-W57 HydrophobicContact CB-CZ3 4Å; Q37-W57 VanDerWaalsContact CD-CH2 3.49Å; Q37-W57 HydrophobicContact CG-CD2 4.15Å; Q37-W57 HydrophobicContact CG-CE3 3.76Å; Q37-W57 HydrophobicContact CG-CH2 3.81Å; Q37-W57 HydrophobicContact CG-CZ2 4.2Å; Q37-W57 HydrophobicContact CG-CZ3 3.57Å |
| 38 | C | 96.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | trans | -80.8 | 108.4 | 174.3 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | L40 F41 L42 C46 C54 H56 W57 H58 | C38-L40 VanDerWaalsContact C-N 3.32Å; C38-L40 PolarHBondContact O-N 3.34Å; C38-F41 HydrophobicContact CB-CB 3.76Å; C38-F41 WeakPolarHBondContact O-CB 3.43Å; C38-F41 PolarHBondContact O-N 3.18Å; C38-L42 PolarHBondContact O-N 3.01Å; C38-C46 VanDerWaalsContact SG-SG 3.6Å; C38-C54 VanDerWaalsContact SG-SG 3.66Å; C38-H56 HydrophobicContact CB-CB 3.72Å; C38-W57 PolarHBondContact N-O 2.71Å; C38-H58 WeakPolarHBondContact CB-CD2 3.26Å; C38-H58 WeakPolarHBondContact CB-NE2 3.34Å | ||
| 39 | L | 95.7 | Very high | 93.6 | Very high | 119 Ų | 119 | 70.9 Ų | 70.9 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 175.8 | -57.8 | 179.8 | 0 | 0 | 0 | 111.4 | Q37 F41 L42 E43 | Q37-L39 PolarHBondContact O-N 3.23Å; L39-F41 PolarHBondContact O-N 3.39Å; L39-L42 HydrophobicContact CD2-CD1 4.4Å; L39-L42 WeakPolarHBondContact O-CB 3.44Å; L39-L42 PolarHBondContact O-N 3.28Å; L39-E43 PolarHBondContact O-N 2.85Å |
| 40 | L | 94.2 | Very high | 92.9 | Very high | 83 Ų | 83 | 78.3 Ų | 78.3 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -22.6 | 173.9 | -59.9 | 175.5 | 0 | 0 | 0 | 113.2 | C38 Q44 Q45 C46 | C38-L40 VanDerWaalsContact C-N 3.32Å; C38-L40 PolarHBondContact O-N 3.34Å; L40-Q44 CarbonylContact O-C 3.57Å; L40-Q44 PolarHBondContact O-N 3.04Å; L40-Q45 HydrophobicContact CD2-CB 4.4Å; L40-Q45 CarbonylContact O-C 3.47Å; L40-Q45 WeakPolarHBondContact O-CA 2.85Å; L40-Q45 PolarHBondContact O-N 3.2Å; L40-C46 HydrophobicContact CB-CB 3.91Å; L40-C46 PolarHBondContact O-N 2.7Å |
| 41 | F | 93.9 | Very high | 91.8 | Very high | 50 Ų | 50 | 80.8 Ų | 80.8 | 22% | 0.219 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -80.9 | -35.8 | 175.9 | -177.9 | -100.2 | 0 | 0 | 0 | 112 | C38 L39 E43 Q44 C46 H49 H58 F59 | C38-F41 HydrophobicContact CB-CB 3.76Å; C38-F41 WeakPolarHBondContact O-CB 3.43Å; C38-F41 PolarHBondContact O-N 3.18Å; L39-F41 PolarHBondContact O-N 3.39Å; F41-E43 PolarHBondContact O-N 3.12Å; F41-Q44 PolarHBondContact O-N 3.27Å; F41-Q44 VanDerWaalsContact O-N 3.07Å; F41-C46 HydrophobicContact CB-CB 3.91Å; F41-C46 HydrophobicContact CD2-CB 4.42Å; F41-H49 HydrophobicContact CD2-CB 3.89Å; F41-H49 HydrophobicContact CE2-CB 4.05Å; F41-H58 HydrophobicContact CD1-CB 3.6Å; F41-H58 AromaticContact CD1-CG 3.81Å; F41-H58 HydrophobicContact CD2-CB 4.21Å; F41-H58 AromaticContact CD2-CE1 3.75Å; F41-H58 AromaticContact CD2-CG 3.7Å; F41-H58 AromaticContact CD2-ND1 3.45Å; F41-H58 WeakPolarHBondContact CD2-ND1 3.01Å; F41-H58 HydrophobicContact CE1-CB 3.7Å; F41-H58 HydrophobicContact CE2-CB 4.29Å; F41-H58 AromaticContact CE2-ND1 3.81Å; F41-H58 HydrophobicContact CG-CB 3.87Å; F41-H58 AromaticContact CG-CD2 3.67Å; F41-H58 AromaticContact CG-CG 3.52Å; F41-H58 AromaticContact CG-ND1 3.78Å; F41-H58 HydrophobicContact CZ-CB 4.05Å; F41-F59 HydrophobicContact CE1-CE1 4.23Å; F41-F59 HydrophobicContact CE1-CZ 4.07Å; F41-F59 HydrophobicContact CZ-CE1 4.29Å; F41-F59 HydrophobicContact CZ-CE2 4.15Å; F41-F59 AromaticContact CZ-CZ 3.71Å; F41-F59 HydrophobicContact CZ-CZ 3.71Å |
| 42 | L | 91.5 | Very high | 91.1 | Very high | 104 Ų | 104 | 84 Ų | 84 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 169.8 | -62.8 | 171.9 | 0 | 0 | 0 | 110.9 | C38 L39 Q44 | C38-L42 PolarHBondContact O-N 3.01Å; L39-L42 HydrophobicContact CD2-CD1 4.4Å; L39-L42 WeakPolarHBondContact O-CB 3.44Å; L39-L42 PolarHBondContact O-N 3.28Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.46Å |
| 43 | E | 93.1 | Very high | 90.8 | Very high | 105 Ų | 105 | 81.9 Ų | 81.9 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.6 | 174.5 | -63.8 | 164.5 | -172.7 | 0 | 0 | 113.8 | L39 F41 Q45 | L39-E43 PolarHBondContact O-N 2.85Å; F41-E43 PolarHBondContact O-N 3.12Å; E43-Q45 HydrophobicContact CB-CG 4.32Å; E43-Q45 PolarHBondContact O-N 2.78Å; E43-Q45 VanDerWaalsContact O-N 3.07Å |
| 44 | Q | 89.6 | Confident | 90.7 | Very high | 178 Ų | 178 | 82 Ų | 82 | 83% | 0.832 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 5.3 | -174.6 | -50.9 | -176 | 9.8 | 0 | 0 | 116.1 | L40 F41 L42 | L40-Q44 CarbonylContact O-C 3.57Å; L40-Q44 PolarHBondContact O-N 3.04Å; F41-Q44 PolarHBondContact O-N 3.27Å; F41-Q44 VanDerWaalsContact O-N 3.07Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.46Å |
| 45 | Q | 93.4 | Very high | 90.6 | Very high | 127 Ų | 127 | 82.2 Ų | 82.2 | 59% | 0.593 | 39% | 0.39 | S | S | * | . | trans | -85.3 | -6.3 | 179.9 | -66.3 | 175.8 | 48.4 | 0 | 0 | 114.8 | L40 E43 Q47 | L40-Q45 HydrophobicContact CD2-CB 4.4Å; L40-Q45 CarbonylContact O-C 3.47Å; L40-Q45 WeakPolarHBondContact O-CA 2.85Å; L40-Q45 PolarHBondContact O-N 3.2Å; E43-Q45 HydrophobicContact CB-CG 4.32Å; E43-Q45 PolarHBondContact O-N 2.78Å; E43-Q45 VanDerWaalsContact O-N 3.07Å; Q45-Q47 PolarHBondContact O-N 2.87Å | ||
| 46 | C | 94.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.02 | 39% | 0.393 | C | S | . | . | trans | -66.8 | 100.9 | -175.6 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | C38 L40 F41 F48 H49 H58 | C38-C46 VanDerWaalsContact SG-SG 3.6Å; L40-C46 HydrophobicContact CB-CB 3.91Å; L40-C46 PolarHBondContact O-N 2.7Å; F41-C46 HydrophobicContact CB-CB 3.91Å; F41-C46 HydrophobicContact CD2-CB 4.42Å; C46-F48 PolarHBondContact O-N 2.98Å; C46-H49 PolarHBondContact O-N 3.02Å; C46-H49 PolarHBondContact O-ND1 3.37Å; C46-H58 VanDerWaalsContact SG-CE1 3.57Å; C46-H58 PolarHBondContact SG-NE2 2.95Å | ||
| 47 | Q | 91.6 | Very high | 90.6 | Very high | 162 Ų | 162 | 79.1 Ų | 79.1 | 76% | 0.757 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.6 | -21.5 | 177.2 | -63.6 | 179.7 | -2.1 | 0 | 0 | 113.1 | Q45 | Q45-Q47 PolarHBondContact O-N 2.87Š|
| 48 | F | 89 | Confident | 90.5 | Very high | 120 Ų | 120 | 76.2 Ų | 76.2 | 53% | 0.526 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -91.5 | 10.8 | -178.5 | -53.5 | -65.5 | 0 | 0 | 0 | 114.1 | C46 Y52 T53 C54 | C46-F48 PolarHBondContact O-N 2.98Å; F48-Y52 CarbonylContact O-C 3.59Å; F48-T53 PolarHBondContact O-N 2.89Å; F48-T53 PolarHBondContact O-OG1 2.72Å; F48-C54 HydrophobicContact CB-CB 4.03Å; F48-C54 PolarHBondContact O-N 3.02Å |
| 49 | H | 82.4 | Confident | 90.4 | Very high | 61 Ų | 61 | 80.6 Ų | 80.6 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -76.5 | -23.4 | 175.3 | 87.1 | -88.4 | 0 | 0 | 0 | 113.2 | F41 C46 Y52 H58 | F41-H49 HydrophobicContact CD2-CB 3.89Å; F41-H49 HydrophobicContact CE2-CB 4.05Å; C46-H49 PolarHBondContact O-N 3.02Å; C46-H49 PolarHBondContact O-ND1 3.37Å; H49-Y52 WeakPolarHBondContact O-CA 3.37Å; H49-Y52 VanDerWaalsContact O-CD1 3.3Å; H49-Y52 WeakPolarHBondContact O-CD1 3.29Å; H49-Y52 PolarHBondContact O-N 3.02Å; H49-Y52 VanDerWaalsContact O-N 3.08Å; H49-H58 WeakPolarHBondContact CB-CE1 3.26Å |
| 50 | R | 81.5 | Confident | 90.3 | Very high | 174 Ų | 174 | 78.2 Ų | 78.2 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | 124.4 | 167.4 | -72.1 | 171.8 | -169.5 | -125.2 | 0.4 | 107.4 | Y52 | R50-Y52 VanDerWaalsContact CA-N 3.33Š|
| 51 | P | 72.5 | Confident | 90.2 | Very high | 56 Ų | 56 | 76.2 Ų | 76.2 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.8 | 65.9 | 1.3 | 36.8 | -34.6 | 0 | 0 | 0 | 112.3 | T53 M810 | P51-T53 HydrophobicContact CG-CG2 4.2Å; P51-T53 PolarHBondContact O-N 2.92Å; P51-M810 HydrophobicContact CB-CG 4.25Å; P51-M810 HydrophobicContact CG-CE 4.46Å; P51-M810 HydrophobicContact CG-CG 4.37Å |
| 52 | Y | 80 | Confident | 90.2 | Very high | 90 Ų | 90 | 74.4 Ų | 74.4 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 53.8 | 26.4 | 173.8 | -59.7 | -86.7 | 0 | 0 | 0 | 116.6 | R34 F48 H49 R50 C54 L808 | R34-Y52 PolarHBondContact NH2-O 2.92Å; F48-Y52 CarbonylContact O-C 3.59Å; H49-Y52 WeakPolarHBondContact O-CA 3.37Å; H49-Y52 VanDerWaalsContact O-CD1 3.3Å; H49-Y52 WeakPolarHBondContact O-CD1 3.29Å; H49-Y52 PolarHBondContact O-N 3.02Å; H49-Y52 VanDerWaalsContact O-N 3.08Å; R50-Y52 VanDerWaalsContact CA-N 3.33Å; Y52-C54 PolarHBondContact O-N 3.28Å; Y52-L808 HydrophobicContact CD1-CD1 4.07Å; Y52-L808 HydrophobicContact CD2-CB 4.44Å; Y52-L808 HydrophobicContact CD2-CD1 4.15Å; Y52-L808 HydrophobicContact CD2-CD2 3.92Å; Y52-L808 HydrophobicContact CD2-CG 4.39Å; Y52-L808 HydrophobicContact CE2-CD2 4.06Å; Y52-L808 HydrophobicContact CG-CD1 3.73Å; Y52-L808 HydrophobicContact CG-CD2 4.33Å; Y52-L808 HydrophobicContact CG-CG 4.44Å |
| 53 | T | 88.6 | Confident | 90.4 | Very high | 31 Ų | 31 | 72.5 Ų | 72.5 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | trans | -74.4 | 2.9 | 177.5 | 41.8 | 0 | 0 | 0 | 0 | 114.6 | F48 P51 F55 M810 | F48-T53 PolarHBondContact O-N 2.89Å; F48-T53 PolarHBondContact O-OG1 2.72Å; P51-T53 HydrophobicContact CG-CG2 4.2Å; P51-T53 PolarHBondContact O-N 2.92Å; T53-F55 PolarHBondContact O-N 3.29Å; T53-M810 HydrophobicContact CG2-CE 3.25Å; T53-M810 HydrophobicContact CG2-SD 3.61Å | ||
| 54 | C | 93.7 | Very high | 90.6 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.054 | 31% | 0.314 | C | S | . | . | trans | -63.1 | 131 | -178.8 | -163.2 | 0 | 0 | 0 | 0 | 111.8 | C38 F48 Y52 H56 H58 | C38-C54 VanDerWaalsContact SG-SG 3.66Å; F48-C54 HydrophobicContact CB-CB 4.03Å; F48-C54 PolarHBondContact O-N 3.02Å; Y52-C54 PolarHBondContact O-N 3.28Å; C54-H56 PolarHBondContact O-N 2.97Å; C54-H56 PolarHBondContact SG-N 2.66Å; C54-H58 VanDerWaalsContact CB-CE1 3.46Å; C54-H58 WeakPolarHBondContact CB-CE1 3.47Å; C54-H58 VanDerWaalsContact CB-NE2 3.26Å; C54-H58 WeakPolarHBondContact CB-NE2 3.21Å; C54-H58 PolarHBondContact SG-NE2 3.1Å | ||
| 55 | F | 95 | Very high | 90.9 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 11% | 0.114 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -71.9 | -20.7 | 175.7 | -170.1 | -91.5 | 0 | 0 | 0 | 112.2 | K28 Y29 E32 F33 R34 T53 H139 | K28-F55 HydrophobicContact CD-CE1 4.49Å; K28-F55 HydrophobicContact CD-CZ 4.07Å; K28-F55 HydrophobicContact CG-CE1 4.49Å; K28-F55 HydrophobicContact CG-CZ 3.97Å; Y29-F55 AromaticContact CD1-CE2 3.84Å; Y29-F55 HydrophobicContact CD1-CE2 3.84Å; Y29-F55 HydrophobicContact CD2-CE2 4.42Å; Y29-F55 HydrophobicContact CE1-CD2 4.12Å; Y29-F55 AromaticContact CE1-CE2 3.65Å; Y29-F55 HydrophobicContact CE1-CE2 3.65Å; Y29-F55 HydrophobicContact CE2-CE2 4.24Å; Y29-F55 HydrophobicContact CG-CE2 4.23Å; Y29-F55 AromaticContact CZ-CE2 3.85Å; E32-F55 HydrophobicContact CB-CE1 3.61Å; E32-F55 HydrophobicContact CB-CZ 4.12Å; F33-F55 HydrophobicContact CB-CE1 4.44Å; F33-F55 HydrophobicContact CB-CE2 4Å; F33-F55 HydrophobicContact CB-CZ 3.91Å; F33-F55 AromaticContact CD2-CD2 3.63Å; F33-F55 HydrophobicContact CD2-CD2 3.63Å; F33-F55 AromaticContact CD2-CE2 3.8Å; F33-F55 HydrophobicContact CD2-CE2 3.8Å; F33-F55 HydrophobicContact CD2-CG 4.12Å; F33-F55 HydrophobicContact CD2-CZ 4.44Å; F33-F55 HydrophobicContact CE2-CD2 4.38Å; F33-F55 HydrophobicContact CG-CE2 4.39Å; R34-F55 PolarHBondContact N-O 3.3Å; T53-F55 PolarHBondContact O-N 3.29Å; F55-H139 AromaticContact CD2-NE2 3.86Å |
| 56 | H | 95.6 | Very high | 90.9 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -101.3 | 160.6 | 176.2 | -64.1 | -88.3 | 0 | 0 | 0 | 110.4 | Q36 C38 C54 | Q36-H56 WeakPolarHBondContact O-CA 3.47Å; Q36-H56 VanDerWaalsContact O-CB 3.29Å; Q36-H56 WeakPolarHBondContact O-CB 3.17Å; C38-H56 HydrophobicContact CB-CB 3.72Å; C54-H56 PolarHBondContact O-N 2.97Å; C54-H56 PolarHBondContact SG-N 2.66Å |
| 57 | W | 95.2 | Very high | 90.8 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -86.4 | 147.9 | 178.3 | 61.4 | -96.5 | 0 | 0 | 0 | 112.1 | R34 T35 Q36 Q37 C38 P60 Q62 K63 | R34-W57 HydrophobicContact CB-CB 4.43Å; T35-W57 PolarHBondContact O-NE1 2.75Å; T35-W57 VanDerWaalsContact O-NE1 3.07Å; Q36-W57 PolarHBondContact O-N 3.4Å; Q37-W57 CarbonylContact C-O 3.14Å; Q37-W57 VanDerWaalsContact CA-O 3.31Å; Q37-W57 WeakPolarHBondContact CA-O 3.46Å; Q37-W57 HydrophobicContact CB-CD2 4Å; Q37-W57 HydrophobicContact CB-CE3 4.1Å; Q37-W57 HydrophobicContact CB-CH2 3.78Å; Q37-W57 HydrophobicContact CB-CZ2 3.67Å; Q37-W57 HydrophobicContact CB-CZ3 4Å; Q37-W57 VanDerWaalsContact CD-CH2 3.49Å; Q37-W57 HydrophobicContact CG-CD2 4.15Å; Q37-W57 HydrophobicContact CG-CE3 3.76Å; Q37-W57 HydrophobicContact CG-CH2 3.81Å; Q37-W57 HydrophobicContact CG-CZ2 4.2Å; Q37-W57 HydrophobicContact CG-CZ3 3.57Å; C38-W57 PolarHBondContact N-O 2.71Å; W57-P60 HydrophobicContact CZ3-CG 4.45Å; W57-Q62 HydrophobicContact CB-CB 3.78Å; W57-K63 HydrophobicContact CD2-CB 4.05Å; W57-K63 HydrophobicContact CG-CB 4.15Å; W57-K63 HydrophobicContact CZ2-CD 4.32Å; W57-K63 HydrophobicContact CZ2-CG 4.3Å |
| 58 | H | 94.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -105.3 | -40.7 | -180 | -66.9 | 175.2 | 0 | 0 | 0 | 112 | C38 F41 C46 H49 C54 | C38-H58 WeakPolarHBondContact CB-CD2 3.26Å; C38-H58 WeakPolarHBondContact CB-NE2 3.34Å; F41-H58 HydrophobicContact CD1-CB 3.6Å; F41-H58 AromaticContact CD1-CG 3.81Å; F41-H58 HydrophobicContact CD2-CB 4.21Å; F41-H58 AromaticContact CD2-CE1 3.75Å; F41-H58 AromaticContact CD2-CG 3.7Å; F41-H58 AromaticContact CD2-ND1 3.45Å; F41-H58 WeakPolarHBondContact CD2-ND1 3.01Å; F41-H58 HydrophobicContact CE1-CB 3.7Å; F41-H58 HydrophobicContact CE2-CB 4.29Å; F41-H58 AromaticContact CE2-ND1 3.81Å; F41-H58 HydrophobicContact CG-CB 3.87Å; F41-H58 AromaticContact CG-CD2 3.67Å; F41-H58 AromaticContact CG-CG 3.52Å; F41-H58 AromaticContact CG-ND1 3.78Å; F41-H58 HydrophobicContact CZ-CB 4.05Å; C46-H58 VanDerWaalsContact SG-CE1 3.57Å; C46-H58 PolarHBondContact SG-NE2 2.95Å; H49-H58 WeakPolarHBondContact CB-CE1 3.26Å; C54-H58 VanDerWaalsContact CB-CE1 3.46Å; C54-H58 WeakPolarHBondContact CB-CE1 3.47Å; C54-H58 VanDerWaalsContact CB-NE2 3.26Å; C54-H58 WeakPolarHBondContact CB-NE2 3.21Å; C54-H58 PolarHBondContact SG-NE2 3.1Å |
| 59 | F | 93.4 | Very high | 90.8 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -117 | 152.9 | 177.4 | -56.3 | -76.5 | 0 | 0 | 0 | 110.5 | F41 N61 Q62 | F41-F59 HydrophobicContact CE1-CE1 4.23Å; F41-F59 HydrophobicContact CE1-CZ 4.07Å; F41-F59 HydrophobicContact CZ-CE1 4.29Å; F41-F59 HydrophobicContact CZ-CE2 4.15Å; F41-F59 AromaticContact CZ-CZ 3.71Å; F41-F59 HydrophobicContact CZ-CZ 3.71Å; F59-N61 PolarHBondContact O-N 2.83Å; F59-Q62 WeakPolarHBondContact O-CB 3.46Å; F59-Q62 PolarHBondContact O-N 2.77Å |
| 60 | P | 93.2 | Very high | 91.1 | Very high | 69 Ų | 69 | 57 Ų | 57 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -60.1 | -31.8 | -176.3 | -23.6 | 33.7 | 0 | 0 | 0 | 113.5 | W57 Q62 K63 | W57-P60 HydrophobicContact CZ3-CG 4.45Å; P60-Q62 PolarHBondContact O-N 3.26Å; P60-Q62 VanDerWaalsContact O-N 3.13Å; P60-K63 WeakPolarHBondContact O-CB 3.39Å; P60-K63 PolarHBondContact O-N 3.19Å |
| 61 | N | 93.4 | Very high | 91.4 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.219 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -67.4 | -8.2 | 173.8 | 72.1 | -4.3 | 0 | 0 | 0 | 114.6 | F59 E88 T89 N105 A106 | F59-N61 PolarHBondContact O-N 2.83Å; N61-E88 WeakPolarHBondContact CB-O 3.38Å; N61-E88 PolarHBondContact ND2-O 3.46Å; N61-T89 PolarHBondContact ND2-O 3.38Å; N61-N105 CarbonylContact O-C 3.48Å; N61-N105 WeakPolarHBondContact O-CA 3.43Å; N61-N105 WeakPolarHBondContact O-CB 3.28Å; N61-A106 WeakPolarHBondContact O-CB 3.48Å; N61-A106 PolarHBondContact O-N 3.2Å |
| 62 | Q | 93.9 | Very high | 92.1 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -94.7 | -10.6 | 169.5 | -63.3 | 172.9 | -1.5 | 0 | 0 | 112.9 | W57 F59 P60 R64 A106 | W57-Q62 HydrophobicContact CB-CB 3.78Å; F59-Q62 WeakPolarHBondContact O-CB 3.46Å; F59-Q62 PolarHBondContact O-N 2.77Å; P60-Q62 PolarHBondContact O-N 3.26Å; P60-Q62 VanDerWaalsContact O-N 3.13Å; Q62-R64 PolarHBondContact O-N 3.46Å; Q62-A106 HydrophobicContact CG-CB 3.88Å |
| 63 | K | 95.5 | Very high | 92.2 | Very high | 63 Ų | 63 | 54 Ų | 54 | 27% | 0.274 | 27% | 0.266 | S | S | . | . | trans | -63.9 | 129.8 | -178.5 | -177.8 | -170 | 178.5 | -160.1 | 0 | 110.6 | W57 P60 D97 N105 | W57-K63 HydrophobicContact CD2-CB 4.05Å; W57-K63 HydrophobicContact CG-CB 4.15Å; W57-K63 HydrophobicContact CZ2-CD 4.32Å; W57-K63 HydrophobicContact CZ2-CG 4.3Å; P60-K63 WeakPolarHBondContact O-CB 3.39Å; P60-K63 PolarHBondContact O-N 3.19Å; K63-D97 IonicContact NZ-OD1 3.17Å; K63-D97 PolarHBondContact NZ-OD1 2.7Å; K63-D97 IonicContact NZ-OD2 3.49Å; K63-D97 PolarHBondContact NZ-OD2 3.27Å; K63-N105 PolarHBondContact O-ND2 3.18Å | ||
| 64 | R | 96 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -110.6 | 128 | 174.4 | 177.1 | 176.8 | 158.7 | -111.1 | -1.6 | 109.7 | Y29 L30 F33 R34 T35 Q62 P67 N105 T109 E110 Y113 | Y29-R64 PolarHBondContact O-NH1 3.34Å; L30-R64 PolarHBondContact O-NH1 3.28Å; L30-R64 PolarHBondContact O-NH2 2.71Å; F33-R64 WeakPolarHBondContact O-CD 3.49Å; F33-R64 PolarHBondContact O-NH1 3.16Å; R34-R64 HydrophobicContact CB-CB 4.23Å; R34-R64 WeakPolarHBondContact O-CB 3.48Å; R34-R64 PolarHBondContact O-N 2.8Å; T35-R64 WeakPolarHBondContact CA-O 3.46Å; T35-R64 WeakPolarHBondContact CG2-O 3.37Å; Q62-R64 PolarHBondContact O-N 3.46Å; R64-P67 VanDerWaalsContact NH2-CD 3.29Å; R64-N105 VanDerWaalsContact CA-ND2 3.29Å; R64-N105 WeakPolarHBondContact CA-ND2 3.41Å; R64-N105 WeakPolarHBondContact CB-ND2 3.46Å; R64-T109 WeakPolarHBondContact CD-O 3.34Å; R64-T109 PolarHBondContact NE-O 3.49Å; R64-E110 HydrophobicContact CB-CG 4.4Å; R64-E110 HydrophobicContact CG-CG 3.76Å; R64-Y113 VanDerWaalsContact CZ-CB 3.43Å; R64-Y113 PolarHBondContact NH2-O 3.33Å | ||
| 65 | R | 96.2 | Very high | 92.3 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 134.8 | 170.1 | -60.9 | 171.6 | -59 | 148.3 | 0 | 109.7 | P67 Y77 D97 C99 Y101 H103 E110 | R65-P67 WeakPolarHBondContact O-CD 3.38Å; R65-Y77 HydrophobicContact CB-CD1 4.41Å; R65-Y77 HydrophobicContact CB-CE1 3.92Å; R65-Y77 WeakPolarHBondContact O-CE1 3.46Å; R65-Y77 PolarHBondContact O-OH 3.4Å; R65-D97 WeakPolarHBondContact CD-O 3.39Å; R65-D97 WeakPolarHBondContact CD-OD1 3.49Å; R65-D97 HydrophobicContact CG-CB 4.47Å; R65-D97 WeakPolarHBondContact CG-OD1 3.45Å; R65-D97 PolarHBondContact NH1-O 2.86Å; R65-C99 PolarHBondContact NH1-O 2.77Å; R65-Y101 PolarHBondContact NH2-O 2.89Å; R65-H103 PolarHBondContact NE-ND1 3.12Å; R65-E110 VanDerWaalsContact CB-OE1 3.28Å; R65-E110 WeakPolarHBondContact CB-OE1 3.32Å; R65-E110 VanDerWaalsContact CG-OE1 3.25Å; R65-E110 WeakPolarHBondContact CG-OE1 2.97Å; R65-E110 IonicContact CZ-OE1 3.5Å; R65-E110 IonicContact CZ-OE2 2.71Å; R65-E110 PolarHBondContact N-OE1 3.37Å; R65-E110 IonicContact NE-OE1 3.78Å; R65-E110 PolarHBondContact NE-OE1 3.03Å; R65-E110 IonicContact NE-OE2 3.39Å; R65-E110 PolarHBondContact NE-OE2 3.08Å; R65-E110 IonicContact NH2-OE1 3.44Å; R65-E110 IonicContact NH2-OE2 3.38Å; R65-E110 PolarHBondContact NH2-OE2 3.43Å |
| 66 | R | 95 | Very high | 92.2 | Very high | 130 Ų | 130 | 52.9 Ų | 52.9 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 124.5 | 178.7 | -176.6 | 176 | 176.3 | -162.3 | -0 | 109.2 | N31 T35 F68 N76 | N31-R66 VanDerWaalsContact OD1-CZ 3.3Å; N31-R66 PolarHBondContact OD1-NE 3.34Å; N31-R66 PolarHBondContact OD1-NH2 3.04Å; T35-R66 HydrophobicContact CG2-CB 4.25Å; R66-F68 PolarHBondContact O-N 3.35Å; R66-N76 PolarHBondContact O-ND2 3.23Å |
| 67 | P | 91.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 124.8 | 172.8 | 29.2 | -31.5 | 0 | 0 | 0 | 109.3 | R64 R65 N76 Y77 P115 | R64-P67 VanDerWaalsContact NH2-CD 3.29Å; R65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-N76 WeakPolarHBondContact CA-OD1 3.38Å; P67-Y77 HydrophobicContact CB-CE1 4.37Å; P67-P115 HydrophobicContact CB-CG 4.43Å; P67-P115 HydrophobicContact CG-CG 4.32Å |
| 68 | F | 90.7 | Very high | 92.1 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 40% | 0.404 | 25% | 0.251 | S | S | . | . | trans | -133.3 | 145 | 173.9 | 65.1 | -94.1 | 0 | 0 | 0 | 111 | R66 R70 F75 N76 | R66-F68 PolarHBondContact O-N 3.35Å; F68-R70 HydrophobicContact CD2-CG 4.22Å; F68-R70 HydrophobicContact CE2-CG 3.83Å; F68-F75 WeakPolarHBondContact O-CD1 3.42Å; F68-N76 HydrophobicContact CD1-CB 3.91Å; F68-N76 VanDerWaalsContact CD1-CG 3.46Å; F68-N76 WeakPolarHBondContact CD1-ND2 3.4Å; F68-N76 HydrophobicContact CD2-CB 4.24Å; F68-N76 HydrophobicContact CE1-CB 3.56Å; F68-N76 VanDerWaalsContact CE1-CG 3.49Å; F68-N76 VanDerWaalsContact CE1-ND2 3.3Å; F68-N76 WeakPolarHBondContact CE1-ND2 3.44Å; F68-N76 HydrophobicContact CE2-CB 3.91Å; F68-N76 HydrophobicContact CG-CB 4.25Å; F68-N76 HydrophobicContact CZ-CB 3.56Å; F68-N76 PolarHBondContact N-OD1 2.7Å; F68-N76 PolarHBondContact O-N 2.97Å; F68-N76 PolarHBondContact O-OD1 3.16Å | ||
| 69 | K | 89 | Confident | 91.9 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 41% | 0.409 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -88.2 | 118.5 | 176.6 | -161 | 160.9 | -170.6 | 164.9 | 0 | 108.5 | G73 T74 F75 Y154 | K69-G73 VanDerWaalsContact CE-C 3.47Å; K69-G73 WeakPolarHBondContact CE-O 3.49Å; K69-T74 CarbonylContact C-O 3.58Å; K69-T74 VanDerWaalsContact CA-O 3.32Å; K69-T74 WeakPolarHBondContact CA-O 3.36Å; K69-T74 WeakPolarHBondContact CG-O 3.45Å; K69-F75 HydrophobicContact CB-CD1 4.34Å; K69-F75 HydrophobicContact CB-CE1 4.01Å; K69-F75 HydrophobicContact CB-CZ 4.35Å; K69-F75 HydrophobicContact CD-CE2 4.29Å; K69-F75 HydrophobicContact CD-CZ 4.14Å; K69-F75 HydrophobicContact CG-CE1 4.5Å; K69-F75 HydrophobicContact CG-CZ 4.44Å; K69-Y154 PolarHBondContact NZ-O 2.9Å |
| 70 | R | 89 | Confident | 91.5 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | trans | -69.7 | 160.5 | 176.8 | -72 | 178.6 | 176.9 | -149.6 | -3.6 | 110 | F68 D72 G73 T74 E98 | F68-R70 HydrophobicContact CD2-CG 4.22Å; F68-R70 HydrophobicContact CE2-CG 3.83Å; R70-D72 VanDerWaalsContact C-N 3.26Å; R70-D72 VanDerWaalsContact C-OD1 3.26Å; R70-D72 WeakPolarHBondContact CB-OD1 3.5Å; R70-D72 PolarHBondContact O-N 2.86Å; R70-G73 WeakPolarHBondContact O-CA 3.4Å; R70-G73 PolarHBondContact O-N 3.04Å; R70-T74 PolarHBondContact N-O 2.89Å; R70-E98 IonicContact NH2-OE2 3.59Å; R70-E98 PolarHBondContact NH2-OE2 2.95Å | ||
| 71 | P | 87.9 | Confident | 91.3 | Very high | 149 Ų | 149 | 47.1 Ų | 47.1 | 97% | 0.968 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.9 | -173 | -23.8 | 35.3 | 0 | 0 | 0 | 115.1 | G73 | P71-G73 PolarHBondContact O-N 3.46Š|
| 72 | D | 86.8 | Confident | 91.3 | Very high | 97 Ų | 97 | 46.9 Ų | 46.9 | 52% | 0.519 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.1 | 169.3 | 60.8 | -11.5 | 0 | 0 | 0 | 113.1 | R70 T74 | R70-D72 VanDerWaalsContact C-N 3.26Å; R70-D72 VanDerWaalsContact C-OD1 3.26Å; R70-D72 WeakPolarHBondContact CB-OD1 3.5Å; R70-D72 PolarHBondContact O-N 2.86Å; D72-T74 VanDerWaalsContact CG-OG1 3.23Å; D72-T74 PolarHBondContact OD1-N 2.86Å; D72-T74 PolarHBondContact OD1-OG1 2.92Å; D72-T74 WeakPolarHBondContact OD2-CB 3.48Å; D72-T74 WeakPolarHBondContact OD2-CG2 3.3Å; D72-T74 PolarHBondContact OD2-OG1 3.13Å |
| 73 | G | 82.7 | Confident | 91.3 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 96.1 | 10.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K69 R70 P71 I156 | K69-G73 VanDerWaalsContact CE-C 3.47Å; K69-G73 WeakPolarHBondContact CE-O 3.49Å; R70-G73 WeakPolarHBondContact O-CA 3.4Å; R70-G73 PolarHBondContact O-N 3.04Å; P71-G73 PolarHBondContact O-N 3.46Å; G73-I156 VanDerWaalsContact C-CG2 3.42Å; G73-I156 VanDerWaalsContact O-CB 3.29Å; G73-I156 WeakPolarHBondContact O-CB 3.38Å; G73-I156 WeakPolarHBondContact O-CG2 3.48Å; G73-I156 PolarHBondContact O-N 3.18Å |
| 74 | T | 90.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.092 | 25% | 0.25 | C | S | . | . | trans | -87.2 | 164.2 | 172.2 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | K69 R70 D72 D155 I156 R157 | K69-T74 CarbonylContact C-O 3.58Å; K69-T74 VanDerWaalsContact CA-O 3.32Å; K69-T74 WeakPolarHBondContact CA-O 3.36Å; K69-T74 WeakPolarHBondContact CG-O 3.45Å; R70-T74 PolarHBondContact N-O 2.89Å; D72-T74 VanDerWaalsContact CG-OG1 3.23Å; D72-T74 PolarHBondContact OD1-N 2.86Å; D72-T74 PolarHBondContact OD1-OG1 2.92Å; D72-T74 WeakPolarHBondContact OD2-CB 3.48Å; D72-T74 WeakPolarHBondContact OD2-CG2 3.3Å; D72-T74 PolarHBondContact OD2-OG1 3.13Å; T74-D155 WeakPolarHBondContact CA-OD2 3.38Å; T74-D155 WeakPolarHBondContact CB-OD2 3.49Å; T74-I156 HydrophobicContact CG2-CG2 3.97Å; T74-R157 HydrophobicContact CG2-CG 4.3Å | ||
| 75 | F | 93.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 150.6 | 166.2 | -78 | -81.4 | 0 | 0 | 0 | 111.8 | F68 K69 Y77 H114 P115 V153 D155 | F68-F75 WeakPolarHBondContact O-CD1 3.42Å; K69-F75 HydrophobicContact CB-CD1 4.34Å; K69-F75 HydrophobicContact CB-CE1 4.01Å; K69-F75 HydrophobicContact CB-CZ 4.35Å; K69-F75 HydrophobicContact CD-CE2 4.29Å; K69-F75 HydrophobicContact CD-CZ 4.14Å; K69-F75 HydrophobicContact CG-CE1 4.5Å; K69-F75 HydrophobicContact CG-CZ 4.44Å; F75-Y77 WeakPolarHBondContact CB-O 3.31Å; F75-Y77 PolarHBondContact O-N 3Å; F75-H114 AromaticContact CD1-CE1 3.69Å; F75-H114 AromaticContact CD1-NE2 3.39Å; F75-H114 WeakPolarHBondContact CD1-NE2 3.27Å; F75-H114 AromaticContact CD2-CE1 3.63Å; F75-H114 AromaticContact CD2-NE2 3.99Å; F75-H114 AromaticContact CE1-CE1 3.82Å; F75-H114 AromaticContact CE1-NE2 3.86Å; F75-H114 AromaticContact CE2-CE1 3.74Å; F75-H114 AromaticContact CG-CE1 3.59Å; F75-H114 AromaticContact CG-NE2 3.46Å; F75-H114 WeakPolarHBondContact CG-NE2 3.4Å; F75-H114 AromaticContact CZ-CE1 3.84Å; F75-P115 HydrophobicContact CE1-CB 4.44Å; F75-P115 HydrophobicContact CE1-CG 4.06Å; F75-P115 HydrophobicContact CZ-CB 4.24Å; F75-P115 HydrophobicContact CZ-CG 4.36Å; F75-V153 HydrophobicContact CE2-CG1 4.2Å; F75-V153 HydrophobicContact CZ-CB 4.32Å; F75-V153 HydrophobicContact CZ-CG1 3.82Å; F75-D155 HydrophobicContact CD2-CB 4.35Å; F75-D155 PolarHBondContact N-OD2 3.07Å |
| 76 | N | 94.2 | Very high | 91 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -63.8 | -22.7 | 179.7 | 64.2 | -50.7 | 0 | 0 | 0 | 114.5 | R66 P67 F68 | R66-N76 PolarHBondContact O-ND2 3.23Å; P67-N76 WeakPolarHBondContact CA-OD1 3.38Å; F68-N76 HydrophobicContact CD1-CB 3.91Å; F68-N76 VanDerWaalsContact CD1-CG 3.46Å; F68-N76 WeakPolarHBondContact CD1-ND2 3.4Å; F68-N76 HydrophobicContact CD2-CB 4.24Å; F68-N76 HydrophobicContact CE1-CB 3.56Å; F68-N76 VanDerWaalsContact CE1-CG 3.49Å; F68-N76 VanDerWaalsContact CE1-ND2 3.3Å; F68-N76 WeakPolarHBondContact CE1-ND2 3.44Å; F68-N76 HydrophobicContact CE2-CB 3.91Å; F68-N76 HydrophobicContact CG-CB 4.25Å; F68-N76 HydrophobicContact CZ-CB 3.56Å; F68-N76 PolarHBondContact N-OD1 2.7Å; F68-N76 PolarHBondContact O-N 2.97Å; F68-N76 PolarHBondContact O-OD1 3.16Å |
| 77 | Y | 95.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -138.8 | 149.7 | 161.9 | 53.5 | -94.9 | 0 | 0 | 0 | 110 | R65 P67 F75 P79 P100 A102 E110 H114 | R65-Y77 HydrophobicContact CB-CD1 4.41Å; R65-Y77 HydrophobicContact CB-CE1 3.92Å; R65-Y77 WeakPolarHBondContact O-CE1 3.46Å; R65-Y77 PolarHBondContact O-OH 3.4Å; P67-Y77 HydrophobicContact CB-CE1 4.37Å; F75-Y77 WeakPolarHBondContact CB-O 3.31Å; F75-Y77 PolarHBondContact O-N 3Å; Y77-P79 WeakPolarHBondContact O-CD 3.48Å; Y77-P100 WeakPolarHBondContact CA-O 3.35Å; Y77-A102 HydrophobicContact CD2-CB 4.32Å; Y77-E110 HydrophobicContact CE2-CB 3.91Å; Y77-E110 HydrophobicContact CE2-CG 4.35Å; Y77-H114 AromaticContact CE2-CD2 3.83Å |
| 78 | N | 91.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 21% | 0.214 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 117.7 | 171 | -172.2 | -15.9 | 0 | 0 | 0 | 109.6 | D80 V81 P100 A102 | N78-D80 PolarHBondContact O-N 2.72Å; N78-D80 VanDerWaalsContact O-N 3.17Å; N78-D80 WeakPolarHBondContact OD1-CA 3.41Å; N78-D80 VanDerWaalsContact OD1-CB 3.27Å; N78-D80 WeakPolarHBondContact OD1-CB 3.45Å; N78-D80 PolarHBondContact OD1-N 3.2Å; N78-V81 VanDerWaalsContact O-O 3.11Å; N78-P100 PolarHBondContact N-O 3.44Å; N78-A102 PolarHBondContact O-N 3Å |
| 79 | P | 90 | Very high | 90.8 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -1.4 | 176.6 | 33.7 | -40.2 | 0 | 0 | 0 | 114.1 | Y77 R111 H114 Y117 R209 | Y77-P79 WeakPolarHBondContact O-CD 3.48Å; P79-R111 WeakPolarHBondContact O-CD 3.38Å; P79-R111 WeakPolarHBondContact O-CG 3.4Å; P79-H114 HydrophobicContact CB-CB 3.78Å; P79-H114 HydrophobicContact CG-CB 4.37Å; P79-H114 WeakPolarHBondContact CG-ND1 3.31Å; P79-Y117 HydrophobicContact CB-CD2 4.39Å; P79-Y117 HydrophobicContact CB-CE2 4.12Å; P79-Y117 HydrophobicContact CG-CE2 4.34Å; P79-R209 PolarHBondContact O-NH2 2.79Å |
| 80 | D | 86.4 | Confident | 91 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -18.5 | -172.2 | -62.3 | 7.2 | 0 | 0 | 0 | 113.7 | N78 R116 Y117 R209 | N78-D80 PolarHBondContact O-N 2.72Å; N78-D80 VanDerWaalsContact O-N 3.17Å; N78-D80 WeakPolarHBondContact OD1-CA 3.41Å; N78-D80 VanDerWaalsContact OD1-CB 3.27Å; N78-D80 WeakPolarHBondContact OD1-CB 3.45Å; N78-D80 PolarHBondContact OD1-N 3.2Å; D80-R116 IonicContact OD1-NH1 2.95Å; D80-R116 IonicContact OD2-CZ 2.92Å; D80-R116 IonicContact OD2-NH1 3.68Å; D80-R116 PolarHBondContact OD2-NH1 2.83Å; D80-Y117 WeakPolarHBondContact OD1-CE2 3.3Å; D80-Y117 PolarHBondContact OD1-OH 2.98Å; D80-Y117 PolarHBondContact OD2-OH 2.68Å; D80-R209 VanDerWaalsContact CA-NH2 3.27Å; D80-R209 IonicContact OD1-CZ 2.72Å; D80-R209 IonicContact OD1-NH1 3.78Å; D80-R209 PolarHBondContact OD1-NH1 2.66Å; D80-R209 IonicContact OD1-NH2 2.68Å; D80-R209 PolarHBondContact OD1-NH2 3.13Å; D80-R209 IonicContact OD2-CZ 2.83Å; D80-R209 IonicContact OD2-NH1 3.78Å; D80-R209 PolarHBondContact OD2-NH1 3.38Å; D80-R209 IonicContact OD2-NH2 3.8Å |
| 81 | V | 88.8 | Confident | 91.2 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 39% | 0.394 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125.5 | 173.4 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | N78 Y101 A102 | N78-V81 VanDerWaalsContact O-O 3.11Å; V81-Y101 HydrophobicContact CB-CD1 3.86Å; V81-Y101 HydrophobicContact CB-CE1 4.42Å; V81-Y101 HydrophobicContact CG1-CD1 3.55Å; V81-Y101 HydrophobicContact CG1-CE1 3.94Å; V81-Y101 HydrophobicContact CG1-CG 4.19Å; V81-Y101 WeakPolarHBondContact O-CB 3.3Å; V81-A102 PolarHBondContact O-N 3.25Å |
| 82 | Y | 93.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 14% | 0.137 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147 | 175.7 | -70.7 | -89.8 | 0 | 0 | 0 | 110.9 | A102 R104 D108 R111 M207 | Y82-A102 CarbonylContact C-O 3.59Å; Y82-A102 VanDerWaalsContact CA-O 3.25Å; Y82-A102 WeakPolarHBondContact CA-O 3.34Å; Y82-A102 HydrophobicContact CD1-CB 4.13Å; Y82-R104 HydrophobicContact CD1-CG 3.32Å; Y82-R104 HydrophobicContact CE1-CG 3.76Å; Y82-R104 HydrophobicContact CG-CG 4.03Å; Y82-D108 WeakPolarHBondContact CE1-OD1 3.35Å; Y82-D108 PolarHBondContact OH-OD1 3.41Å; Y82-R111 WeakPolarHBondContact OH-CD 3.47Å; Y82-M207 HydrophobicContact CD2-CE 3.54Å; Y82-M207 HydrophobicContact CE2-CE 4.22Å; Y82-M207 HydrophobicContact CG-CE 4.36Å |
| 83 | C | 94.3 | Very high | 92 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | trans | -67.8 | 135.1 | 170.9 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | K85 C99 A102 | C83-K85 PolarHBondContact SG-N 2.71Å; C83-C99 PolarHBondContact SG-SG 3.39Å; C83-A102 PolarHBondContact N-O 2.8Å | ||
| 84 | D | 92.7 | Very high | 92.5 | Very high | 124 Ų | 124 | 46.5 Ų | 46.5 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -91 | -16.9 | 172.8 | 59.5 | -15 | 0 | 0 | 0 | 113 | ||
| 85 | K | 92.8 | Very high | 92.7 | Very high | 98 Ų | 98 | 48.5 Ų | 48.5 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -95.3 | 17.4 | 174.4 | -59.2 | 169.6 | -70.2 | 171 | 0 | 113.5 | C83 C93 A94 D95 | C83-K85 PolarHBondContact SG-N 2.71Å; K85-C93 WeakPolarHBondContact O-CA 3.37Å; K85-C93 PolarHBondContact O-SG 3.02Å; K85-A94 HydrophobicContact CB-CB 4.29Å; K85-A94 PolarHBondContact O-N 3.37Å; K85-D95 WeakPolarHBondContact CE-OD2 3.35Å; K85-D95 IonicContact NZ-OD1 2.7Å; K85-D95 PolarHBondContact NZ-OD1 3.3Å; K85-D95 IonicContact NZ-OD2 3.14Å; K85-D95 PolarHBondContact NZ-OD2 2.81Å |
| 86 | Y | 94.8 | Very high | 92.7 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -99.6 | 122.4 | 174.4 | 178.2 | -97.1 | 0 | 0 | 0 | 109.8 | E88 G91 S92 C93 H103 R104 | Y86-E88 HydrophobicContact CD1-CG 4.27Å; Y86-E88 HydrophobicContact CE1-CG 4.34Å; Y86-G91 WeakPolarHBondContact CE2-O 3.27Å; Y86-G91 WeakPolarHBondContact OH-CA 3.45Å; Y86-S92 WeakPolarHBondContact CA-O 2.98Å; Y86-S92 WeakPolarHBondContact CD2-O 3.49Å; Y86-C93 HydrophobicContact CD2-CB 4.15Å; Y86-H103 HydrophobicContact CD1-CB 4.16Å; Y86-H103 HydrophobicContact CD2-CB 3.58Å; Y86-H103 AromaticContact CD2-CD2 3.61Å; Y86-H103 AromaticContact CD2-CG 3.33Å; Y86-H103 AromaticContact CD2-ND1 3.61Å; Y86-H103 HydrophobicContact CE1-CB 4.18Å; Y86-H103 HydrophobicContact CE2-CB 3.62Å; Y86-H103 AromaticContact CE2-CG 3.67Å; Y86-H103 AromaticContact CE2-ND1 3.72Å; Y86-H103 HydrophobicContact CG-CB 3.85Å; Y86-H103 AromaticContact CG-CD2 3.95Å; Y86-H103 AromaticContact CG-CG 3.89Å; Y86-R104 HydrophobicContact CD1-CB 4.15Å; Y86-R104 VanDerWaalsContact CE1-C 3.49Å; Y86-R104 HydrophobicContact CE1-CB 4.37Å |
| 87 | D | 92.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 53 Ų | 53 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | trans | -87.8 | 114.7 | 174.1 | 168.5 | 30.7 | 0 | 0 | 0 | 110.4 | T89 S90 G91 S92 | D87-T89 VanDerWaalsContact CG-OG1 3.23Å; D87-T89 PolarHBondContact O-N 3.02Å; D87-T89 WeakPolarHBondContact OD1-CB 3.44Å; D87-T89 PolarHBondContact OD1-N 2.83Å; D87-T89 PolarHBondContact OD1-OG1 3.33Å; D87-T89 PolarHBondContact OD2-OG1 2.76Å; D87-S90 WeakPolarHBondContact OD2-CB 3.49Å; D87-S90 PolarHBondContact OD2-N 2.88Å; D87-S90 PolarHBondContact OD2-OG 2.86Å; D87-G91 WeakPolarHBondContact O-CA 3.3Å; D87-G91 PolarHBondContact O-N 2.99Å; D87-S92 PolarHBondContact N-O 3.05Å | ||
| 88 | E | 91.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 58.9 Ų | 58.9 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20 | 177.8 | -58.8 | -177 | -172.9 | 0 | 0 | 113 | N61 Y86 R104 | N61-E88 WeakPolarHBondContact CB-O 3.38Å; N61-E88 PolarHBondContact ND2-O 3.46Å; Y86-E88 HydrophobicContact CD1-CG 4.27Å; Y86-E88 HydrophobicContact CE1-CG 4.34Å; E88-R104 HydrophobicContact CG-CB 3.77Å; E88-R104 VanDerWaalsContact OE1-CB 3.3Å; E88-R104 WeakPolarHBondContact OE1-CB 3.33Å; E88-R104 WeakPolarHBondContact OE1-CD 3.44Å |
| 89 | T | 89.6 | Confident | 92.7 | Very high | 111 Ų | 111 | 57 Ų | 57 | 68% | 0.681 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -59 | -177 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | N61 D87 | N61-T89 PolarHBondContact ND2-O 3.38Å; D87-T89 VanDerWaalsContact CG-OG1 3.23Å; D87-T89 PolarHBondContact O-N 3.02Å; D87-T89 WeakPolarHBondContact OD1-CB 3.44Å; D87-T89 PolarHBondContact OD1-N 2.83Å; D87-T89 PolarHBondContact OD1-OG1 3.33Å; D87-T89 PolarHBondContact OD2-OG1 2.76Å |
| 90 | S | 93 | Very high | 92.9 | Very high | 56 Ų | 56 | 60 Ų | 60 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -27.9 | 174 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | D87 S92 | D87-S90 WeakPolarHBondContact OD2-CB 3.49Å; D87-S90 PolarHBondContact OD2-N 2.88Å; D87-S90 PolarHBondContact OD2-OG 2.86Å; S90-S92 WeakPolarHBondContact OG-CB 3.25Å; S90-S92 PolarHBondContact OG-N 2.99Å; S90-S92 PolarHBondContact OG-OG 3.3Å |
| 91 | G | 93 | Very high | 93.3 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | trans | 81 | 16.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y86 D87 | Y86-G91 WeakPolarHBondContact CE2-O 3.27Å; Y86-G91 WeakPolarHBondContact OH-CA 3.45Å; D87-G91 WeakPolarHBondContact O-CA 3.3Å; D87-G91 PolarHBondContact O-N 2.99Å | ||
| 92 | S | 94.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | trans | -94.2 | 159.9 | -179.1 | 67.6 | 0 | 0 | 0 | 0 | 113 | Y86 D87 S90 | Y86-S92 WeakPolarHBondContact CA-O 2.98Å; Y86-S92 WeakPolarHBondContact CD2-O 3.49Å; D87-S92 PolarHBondContact N-O 3.05Å; S90-S92 WeakPolarHBondContact OG-CB 3.25Å; S90-S92 PolarHBondContact OG-N 2.99Å; S90-S92 PolarHBondContact OG-OG 3.3Å | ||
| 93 | C | 96 | Very high | 93.6 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -137.5 | 142 | 170.5 | -168.4 | 0 | 0 | 0 | 0 | 110.2 | K85 Y86 D95 G96 | K85-C93 WeakPolarHBondContact O-CA 3.37Å; K85-C93 PolarHBondContact O-SG 3.02Å; Y86-C93 HydrophobicContact CD2-CB 4.15Å; C93-D95 PolarHBondContact O-N 3.42Å; C93-D95 PolarHBondContact SG-N 2.87Å; C93-G96 PolarHBondContact O-N 2.82Å |
| 94 | A | 94 | Very high | 93.6 | Very high | 85 Ų | 85 | 60.8 Ų | 60.8 | 70% | 0.702 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K85 | K85-A94 HydrophobicContact CB-CB 4.29Å; K85-A94 PolarHBondContact O-N 3.37Å |
| 95 | D | 93.5 | Very high | 93.7 | Very high | 58 Ų | 58 | 55 Ų | 55 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 3.7 | 176.8 | -60 | -12.3 | 0 | 0 | 0 | 112.8 | K85 C93 E98 C99 | K85-D95 WeakPolarHBondContact CE-OD2 3.35Å; K85-D95 IonicContact NZ-OD1 2.7Å; K85-D95 PolarHBondContact NZ-OD1 3.3Å; K85-D95 IonicContact NZ-OD2 3.14Å; K85-D95 PolarHBondContact NZ-OD2 2.81Å; C93-D95 PolarHBondContact O-N 3.42Å; C93-D95 PolarHBondContact SG-N 2.87Å; D95-E98 PolarHBondContact O-N 2.84Å; D95-C99 HydrophobicContact CB-CB 3.65Å; D95-C99 PolarHBondContact OD2-SG 3.38Å; D95-C99 VanDerWaalsContact OD2-SG 3.32Å |
| 96 | G | 93.5 | Very high | 93.5 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | 58.8 | -146.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C93 E98 H103 | C93-G96 PolarHBondContact O-N 2.82Å; G96-E98 VanDerWaalsContact C-N 3.34Å; G96-H103 PolarHBondContact O-CE1 3.12Å |
| 97 | D | 92.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -76.9 | -17.3 | 176.8 | -79.7 | -27.8 | 0 | 0 | 0 | 113.6 | K63 R65 C99 | K63-D97 IonicContact NZ-OD1 3.17Å; K63-D97 PolarHBondContact NZ-OD1 2.7Å; K63-D97 IonicContact NZ-OD2 3.49Å; K63-D97 PolarHBondContact NZ-OD2 3.27Å; R65-D97 WeakPolarHBondContact CD-O 3.39Å; R65-D97 WeakPolarHBondContact CD-OD1 3.49Å; R65-D97 HydrophobicContact CG-CB 4.47Å; R65-D97 WeakPolarHBondContact CG-OD1 3.45Å; R65-D97 PolarHBondContact NH1-O 2.86Å; D97-C99 VanDerWaalsContact C-N 3.27Å; D97-C99 PolarHBondContact O-N 3.49Å |
| 98 | E | 93.6 | Very high | 93.1 | Very high | 125 Ų | 125 | 50.7 Ų | 50.7 | 58% | 0.584 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -83.7 | 5.3 | -179.4 | -76 | -61.7 | 127.4 | 0 | 0 | 113.9 | R70 D95 G96 | R70-E98 IonicContact NH2-OE2 3.59Å; R70-E98 PolarHBondContact NH2-OE2 2.95Å; D95-E98 PolarHBondContact O-N 2.84Å; G96-E98 VanDerWaalsContact C-N 3.34Å |
| 99 | C | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -54.6 | 123.9 | 178.6 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | R65 C83 D95 D97 Y101 H103 | R65-C99 PolarHBondContact NH1-O 2.77Å; C83-C99 PolarHBondContact SG-SG 3.39Å; D95-C99 HydrophobicContact CB-CB 3.65Å; D95-C99 PolarHBondContact OD2-SG 3.38Å; D95-C99 VanDerWaalsContact OD2-SG 3.32Å; D97-C99 VanDerWaalsContact C-N 3.27Å; D97-C99 PolarHBondContact O-N 3.49Å; C99-Y101 PolarHBondContact O-N 3.1Å; C99-H103 VanDerWaalsContact CB-NE2 3.32Å; C99-H103 WeakPolarHBondContact CB-NE2 3.48Å | ||
| 100 | P | 93.7 | Very high | 93.5 | Very high | 67 Ų | 67 | 41.5 Ų | 41.5 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -73.6 | 3.4 | -176.7 | 30.7 | -36.7 | 0 | 0 | 0 | 114.2 | Y77 N78 | Y77-P100 WeakPolarHBondContact CA-O 3.35Å; N78-P100 PolarHBondContact N-O 3.44Å |
| 101 | Y | 94.9 | Very high | 93.6 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 37% | 0.373 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 155.5 | -177.4 | -51.7 | -57.3 | 0 | 0 | 0 | 110.9 | R65 V81 C99 | R65-Y101 PolarHBondContact NH2-O 2.89Å; V81-Y101 HydrophobicContact CB-CD1 3.86Å; V81-Y101 HydrophobicContact CB-CE1 4.42Å; V81-Y101 HydrophobicContact CG1-CD1 3.55Å; V81-Y101 HydrophobicContact CG1-CE1 3.94Å; V81-Y101 HydrophobicContact CG1-CG 4.19Å; V81-Y101 WeakPolarHBondContact O-CB 3.3Å; C99-Y101 PolarHBondContact O-N 3.1Å |
| 102 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 135.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y77 N78 V81 Y82 C83 | Y77-A102 HydrophobicContact CD2-CB 4.32Å; N78-A102 PolarHBondContact O-N 3Å; V81-A102 PolarHBondContact O-N 3.25Å; Y82-A102 CarbonylContact C-O 3.59Å; Y82-A102 VanDerWaalsContact CA-O 3.25Å; Y82-A102 WeakPolarHBondContact CA-O 3.34Å; Y82-A102 HydrophobicContact CD1-CB 4.13Å; C83-A102 PolarHBondContact N-O 2.8Å |
| 103 | H | 95.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | trans | -83.3 | 141.4 | 174.3 | -67 | 167.5 | 0 | 0 | 0 | 111.5 | R65 Y86 G96 C99 N105 E110 | R65-H103 PolarHBondContact NE-ND1 3.12Å; Y86-H103 HydrophobicContact CD1-CB 4.16Å; Y86-H103 HydrophobicContact CD2-CB 3.58Å; Y86-H103 AromaticContact CD2-CD2 3.61Å; Y86-H103 AromaticContact CD2-CG 3.33Å; Y86-H103 AromaticContact CD2-ND1 3.61Å; Y86-H103 HydrophobicContact CE1-CB 4.18Å; Y86-H103 HydrophobicContact CE2-CB 3.62Å; Y86-H103 AromaticContact CE2-CG 3.67Å; Y86-H103 AromaticContact CE2-ND1 3.72Å; Y86-H103 HydrophobicContact CG-CB 3.85Å; Y86-H103 AromaticContact CG-CD2 3.95Å; Y86-H103 AromaticContact CG-CG 3.89Å; G96-H103 PolarHBondContact O-CE1 3.12Å; C99-H103 VanDerWaalsContact CB-NE2 3.32Å; C99-H103 WeakPolarHBondContact CB-NE2 3.48Å; H103-N105 PolarHBondContact O-N 2.82Å; H103-E110 WeakPolarHBondContact CB-OE2 3.42Å; H103-E110 IonicContact CG-OE2 3.87Å; H103-E110 PolarHBondContact N-OE2 2.92Å; H103-E110 IonicContact ND1-OE1 3.05Å | ||
| 104 | R | 93.7 | Very high | 93.6 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 21% | 0.211 | 23% | 0.226 | C | C | . | . | trans | -82.3 | 50.8 | 178 | -71.4 | -172.8 | 165.1 | -97.3 | -15.1 | 112 | Y82 Y86 E88 R206 | Y82-R104 HydrophobicContact CD1-CG 3.32Å; Y82-R104 HydrophobicContact CE1-CG 3.76Å; Y82-R104 HydrophobicContact CG-CG 4.03Å; Y86-R104 HydrophobicContact CD1-CB 4.15Å; Y86-R104 VanDerWaalsContact CE1-C 3.49Å; Y86-R104 HydrophobicContact CE1-CB 4.37Å; E88-R104 HydrophobicContact CG-CB 3.77Å; E88-R104 VanDerWaalsContact OE1-CB 3.3Å; E88-R104 WeakPolarHBondContact OE1-CB 3.33Å; E88-R104 WeakPolarHBondContact OE1-CD 3.44Å; R104-R206 PolarHBondContact NH2-O 2.95Å | ||
| 105 | N | 93.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -65.8 | 159.4 | -179.2 | 76.8 | 10.2 | 0 | 0 | 0 | 112.2 | N61 K63 R64 H103 G107 D108 T109 | N61-N105 CarbonylContact O-C 3.48Å; N61-N105 WeakPolarHBondContact O-CA 3.43Å; N61-N105 WeakPolarHBondContact O-CB 3.28Å; K63-N105 PolarHBondContact O-ND2 3.18Å; R64-N105 VanDerWaalsContact CA-ND2 3.29Å; R64-N105 WeakPolarHBondContact CA-ND2 3.41Å; R64-N105 WeakPolarHBondContact CB-ND2 3.46Å; H103-N105 PolarHBondContact O-N 2.82Å; N105-G107 PolarHBondContact O-N 3.08Å; N105-G107 VanDerWaalsContact O-N 3.08Å; N105-D108 WeakPolarHBondContact O-CA 3.44Å; N105-D108 PolarHBondContact O-N 2.81Å; N105-T109 VanDerWaalsContact CG-OG1 3.23Å; N105-T109 PolarHBondContact ND2-OG1 3.4Å; N105-T109 PolarHBondContact OD1-N 3.19Å; N105-T109 PolarHBondContact OD1-OG1 2.87Å | ||
| 106 | A | 89.7 | Confident | 93.4 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 30% | 0.298 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 112.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R34 N61 Q62 | R34-A106 PolarHBondContact NH1-O 2.77Å; R34-A106 VanDerWaalsContact NH1-O 3.07Å; N61-A106 WeakPolarHBondContact O-CB 3.48Å; N61-A106 PolarHBondContact O-N 3.2Å; Q62-A106 HydrophobicContact CG-CB 3.88Å |
| 107 | G | 87.6 | Confident | 93.3 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 4.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N105 T109 R112 | N105-G107 PolarHBondContact O-N 3.08Å; N105-G107 VanDerWaalsContact O-N 3.08Å; G107-T109 VanDerWaalsContact C-N 3.3Å; G107-T109 PolarHBondContact O-N 2.9Å; G107-R112 WeakPolarHBondContact O-CD 2.91Å; G107-R112 VanDerWaalsContact O-CZ 3.3Å; G107-R112 PolarHBondContact O-NE 3.46Å; G107-R112 PolarHBondContact O-NH1 3.02Å |
| 108 | D | 91.9 | Very high | 93.5 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 56.2 | 43.3 | 177.5 | 171.8 | 55.6 | 0 | 0 | 0 | 112 | Y82 N105 R111 R112 | Y82-D108 WeakPolarHBondContact CE1-OD1 3.35Å; Y82-D108 PolarHBondContact OH-OD1 3.41Å; N105-D108 WeakPolarHBondContact O-CA 3.44Å; N105-D108 PolarHBondContact O-N 2.81Å; D108-R111 WeakPolarHBondContact OD1-CB 3.18Å; D108-R112 WeakPolarHBondContact O-CB 3.37Å; D108-R112 WeakPolarHBondContact O-CD 3.17Å; D108-R112 WeakPolarHBondContact O-CG 3.41Å; D108-R112 PolarHBondContact O-N 2.96Å; D108-R112 WeakPolarHBondContact OD2-CG 3.28Å; D108-R112 IonicContact OD2-CZ 3.97Å; D108-R112 IonicContact OD2-NE 2.72Å; D108-R112 PolarHBondContact OD2-NE 2.66Å; D108-R112 IonicContact OD2-NH2 3.65Å |
| 109 | T | 94.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -83 | -29.8 | -163.6 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | F33 R64 N105 G107 R111 Y113 | F33-T109 HydrophobicContact CE1-CG2 4.05Å; R64-T109 WeakPolarHBondContact CD-O 3.34Å; R64-T109 PolarHBondContact NE-O 3.49Å; N105-T109 VanDerWaalsContact CG-OG1 3.23Å; N105-T109 PolarHBondContact ND2-OG1 3.4Å; N105-T109 PolarHBondContact OD1-N 3.19Å; N105-T109 PolarHBondContact OD1-OG1 2.87Å; G107-T109 VanDerWaalsContact C-N 3.3Å; G107-T109 PolarHBondContact O-N 2.9Å; T109-R111 VanDerWaalsContact C-N 3.32Å; T109-R111 PolarHBondContact O-N 3.47Å; T109-Y113 HydrophobicContact CG2-CD2 4.4Å; T109-Y113 HydrophobicContact CG2-CE2 4.32Å; T109-Y113 WeakPolarHBondContact O-CB 3.37Å; T109-Y113 PolarHBondContact O-N 3.17Å |
| 110 | E | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 171.7 | -81.3 | -170.2 | -175.1 | 0 | 0 | 111.2 | R64 R65 Y77 H103 H114 | R64-E110 HydrophobicContact CB-CG 4.4Å; R64-E110 HydrophobicContact CG-CG 3.76Å; R65-E110 VanDerWaalsContact CB-OE1 3.28Å; R65-E110 WeakPolarHBondContact CB-OE1 3.32Å; R65-E110 VanDerWaalsContact CG-OE1 3.25Å; R65-E110 WeakPolarHBondContact CG-OE1 2.97Å; R65-E110 IonicContact CZ-OE1 3.5Å; R65-E110 IonicContact CZ-OE2 2.71Å; R65-E110 PolarHBondContact N-OE1 3.37Å; R65-E110 IonicContact NE-OE1 3.78Å; R65-E110 PolarHBondContact NE-OE1 3.03Å; R65-E110 IonicContact NE-OE2 3.39Å; R65-E110 PolarHBondContact NE-OE2 3.08Å; R65-E110 IonicContact NH2-OE1 3.44Å; R65-E110 IonicContact NH2-OE2 3.38Å; R65-E110 PolarHBondContact NH2-OE2 3.43Å; Y77-E110 HydrophobicContact CE2-CB 3.91Å; Y77-E110 HydrophobicContact CE2-CG 4.35Å; H103-E110 WeakPolarHBondContact CB-OE2 3.42Å; H103-E110 IonicContact CG-OE2 3.87Å; H103-E110 PolarHBondContact N-OE2 2.92Å; H103-E110 IonicContact ND1-OE1 3.05Å; E110-H114 PolarHBondContact O-N 3.33Å |
| 111 | R | 94.1 | Very high | 92.8 | Very high | 48 Ų | 48 | 22.3 Ų | 22.3 | 18% | 0.181 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.5 | -55.6 | 175.8 | -174.9 | 171.5 | 179.6 | -98.6 | -11.2 | 112.4 | P79 Y82 D108 T109 Y113 H114 Y117 R209 | P79-R111 WeakPolarHBondContact O-CD 3.38Å; P79-R111 WeakPolarHBondContact O-CG 3.4Å; Y82-R111 WeakPolarHBondContact OH-CD 3.47Å; D108-R111 WeakPolarHBondContact OD1-CB 3.18Å; T109-R111 VanDerWaalsContact C-N 3.32Å; T109-R111 PolarHBondContact O-N 3.47Å; R111-Y113 VanDerWaalsContact C-N 3.27Å; R111-Y113 PolarHBondContact O-N 2.88Å; R111-H114 VanDerWaalsContact O-CB 3.31Å; R111-H114 WeakPolarHBondContact O-CB 3.46Å; R111-H114 PolarHBondContact O-N 2.76Å; R111-Y117 HydrophobicContact CG-CD2 3.92Å; R111-Y117 HydrophobicContact CG-CE2 4.22Å; R111-Y117 WeakPolarHBondContact O-CD2 3.41Å; R111-R209 VanDerWaalsContact NE-NH2 3.15Å |
| 112 | R | 92.1 | Very high | 92.4 | Very high | 85 Ų | 85 | 22.4 Ų | 22.4 | 32% | 0.321 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.9 | -32 | -172.5 | -69.5 | 169.9 | -168.4 | -165.5 | 4 | 113.8 | G107 D108 F118 A141 | G107-R112 WeakPolarHBondContact O-CD 2.91Å; G107-R112 VanDerWaalsContact O-CZ 3.3Å; G107-R112 PolarHBondContact O-NE 3.46Å; G107-R112 PolarHBondContact O-NH1 3.02Å; D108-R112 WeakPolarHBondContact O-CB 3.37Å; D108-R112 WeakPolarHBondContact O-CD 3.17Å; D108-R112 WeakPolarHBondContact O-CG 3.41Å; D108-R112 PolarHBondContact O-N 2.96Å; D108-R112 WeakPolarHBondContact OD2-CG 3.28Å; D108-R112 IonicContact OD2-CZ 3.97Å; D108-R112 IonicContact OD2-NE 2.72Å; D108-R112 PolarHBondContact OD2-NE 2.66Å; D108-R112 IonicContact OD2-NH2 3.65Å; R112-F118 WeakPolarHBondContact O-CA 3.36Å; R112-F118 PolarHBondContact O-N 2.83Å; R112-A141 HydrophobicContact CB-CB 4.18Å |
| 113 | Y | 95.7 | Very high | 92 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 17.1 | 177.8 | -64.8 | -96.5 | 0 | 0 | 0 | 112.7 | Y29 L30 F33 R64 T109 R111 F118 H139 A141 | Y29-Y113 HydrophobicContact CD1-CD1 4.15Å; Y29-Y113 AromaticContact CD1-CE1 3.48Å; Y29-Y113 HydrophobicContact CD1-CE1 3.48Å; Y29-Y113 VanDerWaalsContact CD1-CE1 3.48Å; Y29-Y113 HydrophobicContact CE1-CE1 4.19Å; Y29-Y113 HydrophobicContact CG-CE1 4.22Å; L30-Y113 WeakPolarHBondContact CD2-O 2.79Å; F33-Y113 HydrophobicContact CD1-CD1 4.04Å; F33-Y113 AromaticContact CD1-CD2 3.86Å; F33-Y113 HydrophobicContact CD1-CD2 3.86Å; F33-Y113 AromaticContact CD1-CE1 3.78Å; F33-Y113 HydrophobicContact CD1-CE1 3.78Å; F33-Y113 AromaticContact CD1-CE2 3.6Å; F33-Y113 HydrophobicContact CD1-CE2 3.6Å; F33-Y113 HydrophobicContact CD1-CG 4.06Å; F33-Y113 AromaticContact CD1-CZ 3.53Å; F33-Y113 HydrophobicContact CE1-CD2 4.01Å; F33-Y113 HydrophobicContact CE1-CE1 4.16Å; F33-Y113 AromaticContact CE1-CE2 3.36Å; F33-Y113 HydrophobicContact CE1-CE2 3.36Å; F33-Y113 AromaticContact CE1-CZ 3.43Å; F33-Y113 VanDerWaalsContact CE1-CZ 3.43Å; F33-Y113 HydrophobicContact CG-CE1 4.25Å; F33-Y113 HydrophobicContact CZ-CE2 4.34Å; R64-Y113 VanDerWaalsContact CZ-CB 3.43Å; R64-Y113 PolarHBondContact NH2-O 3.33Å; T109-Y113 HydrophobicContact CG2-CD2 4.4Å; T109-Y113 HydrophobicContact CG2-CE2 4.32Å; T109-Y113 WeakPolarHBondContact O-CB 3.37Å; T109-Y113 PolarHBondContact O-N 3.17Å; R111-Y113 VanDerWaalsContact C-N 3.27Å; R111-Y113 PolarHBondContact O-N 2.88Å; Y113-F118 AromaticContact CD1-CD2 3.36Å; Y113-F118 HydrophobicContact CD1-CD2 3.36Å; Y113-F118 AromaticContact CD1-CE2 3.46Å; Y113-F118 HydrophobicContact CD1-CE2 3.46Å; Y113-F118 VanDerWaalsContact CD1-CE2 3.46Å; Y113-F118 HydrophobicContact CD1-CG 4.32Å; Y113-F118 HydrophobicContact CD1-CZ 4.45Å; Y113-F118 AromaticContact CE1-CD2 3.8Å; Y113-F118 HydrophobicContact CE1-CD2 3.8Å; Y113-F118 AromaticContact CE1-CE2 3.46Å; Y113-F118 HydrophobicContact CE1-CE2 3.46Å; Y113-F118 VanDerWaalsContact CE1-CE2 3.46Å; Y113-F118 HydrophobicContact CE1-CZ 4.48Å; Y113-F118 HydrophobicContact CG-CD2 4.15Å; Y113-H139 PolarHBondContact OH-O 2.74Å; Y113-A141 HydrophobicContact CE2-CB 4.46Å |
| 114 | H | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -69 | 144.1 | 166.5 | -163.9 | -95.8 | 0 | 0 | 0 | 110.1 | F75 Y77 P79 E110 R111 R116 Y117 F118 | F75-H114 AromaticContact CD1-CE1 3.69Å; F75-H114 AromaticContact CD1-NE2 3.39Å; F75-H114 WeakPolarHBondContact CD1-NE2 3.27Å; F75-H114 AromaticContact CD2-CE1 3.63Å; F75-H114 AromaticContact CD2-NE2 3.99Å; F75-H114 AromaticContact CE1-CE1 3.82Å; F75-H114 AromaticContact CE1-NE2 3.86Å; F75-H114 AromaticContact CE2-CE1 3.74Å; F75-H114 AromaticContact CG-CE1 3.59Å; F75-H114 AromaticContact CG-NE2 3.46Å; F75-H114 WeakPolarHBondContact CG-NE2 3.4Å; F75-H114 AromaticContact CZ-CE1 3.84Å; Y77-H114 AromaticContact CE2-CD2 3.83Å; P79-H114 HydrophobicContact CB-CB 3.78Å; P79-H114 HydrophobicContact CG-CB 4.37Å; P79-H114 WeakPolarHBondContact CG-ND1 3.31Å; E110-H114 PolarHBondContact O-N 3.33Å; R111-H114 VanDerWaalsContact O-CB 3.31Å; R111-H114 WeakPolarHBondContact O-CB 3.46Å; R111-H114 PolarHBondContact O-N 2.76Å; H114-R116 WeakPolarHBondContact ND1-CB 3.32Å; H114-R116 PolarHBondContact ND1-N 3.45Å; H114-R116 PolarHBondContact O-N 3.06Å; H114-Y117 HydrophobicContact CB-CD2 4.44Å; H114-Y117 PolarHBondContact O-N 3.27Å; H114-F118 PolarHBondContact O-N 2.78Å |
| 115 | P | 93.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -19.9 | 174.9 | -32.6 | 37.4 | 0 | 0 | 0 | 116.3 | L30 P67 F75 R150 V153 | L30-P115 HydrophobicContact CD2-CG 4.1Å; P67-P115 HydrophobicContact CB-CG 4.43Å; P67-P115 HydrophobicContact CG-CG 4.32Å; F75-P115 HydrophobicContact CE1-CB 4.44Å; F75-P115 HydrophobicContact CE1-CG 4.06Å; F75-P115 HydrophobicContact CZ-CB 4.24Å; F75-P115 HydrophobicContact CZ-CG 4.36Å; P115-R150 PolarHBondContact O-NH1 2.82Å; P115-V153 HydrophobicContact CB-CB 3.91Å; P115-V153 HydrophobicContact CB-CG2 4.09Å; P115-V153 PolarHBondContact O-N 2.95Å |
| 116 | R | 90.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -33.9 | 172.9 | -175 | 178.5 | -71.3 | -145.5 | -9.1 | 113.9 | D80 H114 T120 E158 | D80-R116 IonicContact OD1-NH1 2.95Å; D80-R116 IonicContact OD2-CZ 2.92Å; D80-R116 IonicContact OD2-NH1 3.68Å; D80-R116 PolarHBondContact OD2-NH1 2.83Å; H114-R116 WeakPolarHBondContact ND1-CB 3.32Å; H114-R116 PolarHBondContact ND1-N 3.45Å; H114-R116 PolarHBondContact O-N 3.06Å; R116-T120 VanDerWaalsContact O-CG2 3.27Å; R116-T120 WeakPolarHBondContact O-CG2 3.44Å; R116-T120 PolarHBondContact O-OG1 2.69Å; R116-E158 IonicContact CZ-OE1 3.86Å; R116-E158 IonicContact CZ-OE2 3.91Å; R116-E158 IonicContact NH1-OE1 3.6Å; R116-E158 PolarHBondContact NH1-OE1 3.39Å; R116-E158 IonicContact NH1-OE2 2.86Å; R116-E158 PolarHBondContact NH1-OE2 2.98Å; R116-E158 IonicContact NH2-OE1 2.66Å; R116-E158 PolarHBondContact NH2-OE1 3.07Å; R116-E158 IonicContact NH2-OE2 2.71Å; R116-E158 PolarHBondContact NH2-OE2 3.29Å |
| 117 | Y | 92.3 | Very high | 90.1 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -30.2 | -171.6 | -66.2 | -58 | 0 | 0 | 0 | 114.3 | P79 D80 R111 H114 K119 T120 R209 | P79-Y117 HydrophobicContact CB-CD2 4.39Å; P79-Y117 HydrophobicContact CB-CE2 4.12Å; P79-Y117 HydrophobicContact CG-CE2 4.34Å; D80-Y117 WeakPolarHBondContact OD1-CE2 3.3Å; D80-Y117 PolarHBondContact OD1-OH 2.98Å; D80-Y117 PolarHBondContact OD2-OH 2.68Å; R111-Y117 HydrophobicContact CG-CD2 3.92Å; R111-Y117 HydrophobicContact CG-CE2 4.22Å; R111-Y117 WeakPolarHBondContact O-CD2 3.41Å; H114-Y117 HydrophobicContact CB-CD2 4.44Å; H114-Y117 PolarHBondContact O-N 3.27Å; Y117-K119 PolarHBondContact O-N 3.43Å; Y117-K119 VanDerWaalsContact O-N 3.08Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.5Å; Y117-T120 PolarHBondContact O-N 3.24Å; Y117-T120 PolarHBondContact O-OG1 3.28Å; Y117-R209 VanDerWaalsContact OH-CZ 3.26Å; Y117-R209 PolarHBondContact OH-NH1 2.74Å; Y117-R209 PolarHBondContact OH-NH2 3.14Å |
| 118 | F | 95 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 116.3 | -176.5 | -175 | -110.6 | 0 | 0 | 0 | 111.2 | H26 Y29 L30 R112 Y113 H114 T120 A141 R150 | H26-F118 HydrophobicContact CB-CE1 3.93Å; H26-F118 AromaticContact CD2-CE1 3.87Å; Y29-F118 VanDerWaalsContact CB-CZ 3.47Å; Y29-F118 HydrophobicContact CD2-CZ 4.35Å; Y29-F118 HydrophobicContact CG-CE2 4.34Å; Y29-F118 AromaticContact CG-CZ 3.95Å; Y29-F118 HydrophobicContact CG-CZ 3.95Å; L30-F118 HydrophobicContact CD1-CD1 4.46Å; L30-F118 HydrophobicContact CD2-CB 3.69Å; L30-F118 HydrophobicContact CD2-CD1 3.71Å; L30-F118 HydrophobicContact CD2-CG 3.9Å; L30-F118 HydrophobicContact CG-CD1 3.85Å; L30-F118 HydrophobicContact CG-CE1 4.43Å; L30-F118 HydrophobicContact CG-CG 4.49Å; R112-F118 WeakPolarHBondContact O-CA 3.36Å; R112-F118 PolarHBondContact O-N 2.83Å; Y113-F118 AromaticContact CD1-CD2 3.36Å; Y113-F118 HydrophobicContact CD1-CD2 3.36Å; Y113-F118 AromaticContact CD1-CE2 3.46Å; Y113-F118 HydrophobicContact CD1-CE2 3.46Å; Y113-F118 VanDerWaalsContact CD1-CE2 3.46Å; Y113-F118 HydrophobicContact CD1-CG 4.32Å; Y113-F118 HydrophobicContact CD1-CZ 4.45Å; Y113-F118 AromaticContact CE1-CD2 3.8Å; Y113-F118 HydrophobicContact CE1-CD2 3.8Å; Y113-F118 AromaticContact CE1-CE2 3.46Å; Y113-F118 HydrophobicContact CE1-CE2 3.46Å; Y113-F118 VanDerWaalsContact CE1-CE2 3.46Å; Y113-F118 HydrophobicContact CE1-CZ 4.48Å; Y113-F118 HydrophobicContact CG-CD2 4.15Å; H114-F118 PolarHBondContact O-N 2.78Å; F118-T120 WeakPolarHBondContact O-CG2 3.39Å; F118-T120 PolarHBondContact O-N 3.17Å; F118-A141 HydrophobicContact CD2-CB 4.29Å; F118-R150 WeakPolarHBondContact O-CD 3.38Å; F118-R150 PolarHBondContact O-NH1 2.86Å |
| 119 | K | 93.6 | Very high | 89.8 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 17.4 | -178.4 | -57.6 | -71.2 | -172.5 | 173.2 | 0 | 115.2 | Y117 G121 C140 A141 F142 A143 D148 I149 R150 | Y117-K119 PolarHBondContact O-N 3.43Å; Y117-K119 VanDerWaalsContact O-N 3.08Å; K119-G121 PolarHBondContact O-N 2.79Å; K119-G121 VanDerWaalsContact O-N 3.12Å; K119-C140 WeakPolarHBondContact CE-O 3.48Å; K119-C140 PolarHBondContact NZ-O 2.81Å; K119-A141 WeakPolarHBondContact CA-O 3.48Å; K119-A141 PolarHBondContact N-O 3.4Å; K119-F142 VanDerWaalsContact CD-O 3.28Å; K119-F142 WeakPolarHBondContact CD-O 3.2Å; K119-F142 PolarHBondContact NZ-O 2.96Å; K119-A143 HydrophobicContact CD-CB 4.44Å; K119-D148 WeakPolarHBondContact CB-O 3.37Å; K119-D148 WeakPolarHBondContact CE-OD1 3.44Å; K119-D148 WeakPolarHBondContact CE-OD2 3.23Å; K119-D148 IonicContact NZ-OD1 3.91Å; K119-D148 PolarHBondContact NZ-OD1 2.83Å; K119-D148 IonicContact NZ-OD2 3.8Å; K119-D148 PolarHBondContact NZ-OD2 3.36Å; K119-I149 WeakPolarHBondContact O-CA 3.32Å; K119-I149 WeakPolarHBondContact O-CG1 3.4Å; K119-R150 HydrophobicContact CB-CB 4.24Å; K119-R150 HydrophobicContact CB-CG 3.87Å; K119-R150 PolarHBondContact O-N 3.05Å |
| 120 | T | 89.8 | Confident | 89.3 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -87.5 | 30.7 | -177.7 | 67.9 | 0 | 0 | 0 | 0 | 113.4 | R116 Y117 F118 R150 P152 L174 R178 | R116-T120 VanDerWaalsContact O-CG2 3.27Å; R116-T120 WeakPolarHBondContact O-CG2 3.44Å; R116-T120 PolarHBondContact O-OG1 2.69Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.5Å; Y117-T120 PolarHBondContact O-N 3.24Å; Y117-T120 PolarHBondContact O-OG1 3.28Å; F118-T120 WeakPolarHBondContact O-CG2 3.39Å; F118-T120 PolarHBondContact O-N 3.17Å; T120-R150 WeakPolarHBondContact CA-O 3.25Å; T120-R150 HydrophobicContact CG2-CB 4.22Å; T120-P152 HydrophobicContact CG2-CB 4.29Å; T120-P152 HydrophobicContact CG2-CG 4.1Å; T120-L174 WeakPolarHBondContact O-CD1 3.2Å; T120-R178 VanDerWaalsContact O-CZ 3.26Å; T120-R178 PolarHBondContact O-NH1 3.45Å; T120-R178 PolarHBondContact O-NH2 3.39Å |
| 121 | G | 85.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 174.5 | 149.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K119 A143 | K119-G121 PolarHBondContact O-N 2.79Å; K119-G121 VanDerWaalsContact O-N 3.12Å; G121-A143 PolarHBondContact O-N 3.27Å |
| 122 | N | 86 | Confident | 88.3 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 52% | 0.519 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 150.5 | -174.4 | -58 | 66.7 | 0 | 0 | 0 | 112.4 | A143 I149 | N122-A143 CarbonylContact C-O 3.55Å; N122-A143 VanDerWaalsContact CA-O 3.3Å; N122-A143 WeakPolarHBondContact CA-O 3.28Å; N122-I149 WeakPolarHBondContact OD1-CD1 3.41Å |
| 123 | C | 87.2 | Confident | 88.2 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | trans | -75 | 136.1 | 171.6 | -160.4 | 0 | 0 | 0 | 0 | 110.1 | Y125 C140 F142 A143 H144 | C123-Y125 VanDerWaalsContact C-N 3.28Å; C123-C140 PolarHBondContact SG-SG 2.77Å; C123-F142 HydrophobicContact CB-CB 3.76Å; C123-A143 PolarHBondContact N-O 2.89Å; C123-H144 WeakPolarHBondContact CB-CE1 3.32Å; C123-H144 WeakPolarHBondContact CB-NE2 3.5Å; C123-H144 PolarHBondContact SG-CE1 3.22Å | ||
| 124 | I | 81.6 | Confident | 87.9 | Confident | 126 Ų | 126 | 48.7 Ų | 48.7 | 65% | 0.646 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -80.3 | -12.8 | 173.1 | 64.1 | 172.3 | 0 | 0 | 0 | 112.8 | P289 | I124-P289 HydrophobicContact CG2-CG 4.29Š|
| 125 | Y | 83.5 | Confident | 87.5 | Confident | 95 Ų | 95 | 53.5 Ų | 53.5 | 37% | 0.373 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -98.8 | 147.5 | 178.4 | -59.9 | -74 | 0 | 0 | 0 | 109.8 | C123 K135 | C123-Y125 VanDerWaalsContact C-N 3.28Å; Y125-K135 HydrophobicContact CD1-CB 4.24Å; Y125-K135 HydrophobicContact CD1-CD 4.47Å; Y125-K135 HydrophobicContact CD2-CB 4.24Å; Y125-K135 HydrophobicContact CE1-CB 4.45Å; Y125-K135 HydrophobicContact CE1-CD 3.85Å; Y125-K135 HydrophobicContact CE2-CB 4.47Å; Y125-K135 HydrophobicContact CE2-CD 3.93Å; Y125-K135 HydrophobicContact CG-CB 4.13Å |
| 126 | E | 80.2 | Confident | 87.3 | Confident | 155 Ų | 155 | 54.6 Ų | 54.6 | 72% | 0.724 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 153.9 | 179.1 | -66.7 | 179.6 | -171.4 | 0 | 0 | 113.1 | V134 | E126-V134 HydrophobicContact CB-CG1 3.99Å; E126-V134 HydrophobicContact CB-CG2 4.15Å; E126-V134 PolarHBondContact O-N 3.03Å; E126-V134 VanDerWaalsContact O-N 3.08Å |
| 127 | T | 86.6 | Confident | 87.2 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116 | 176.4 | -45.8 | 0 | 0 | 0 | 0 | 107.7 | A132 H144 | T127-A132 CarbonylContact C-O 3.51Å; T127-A132 WeakPolarHBondContact CA-O 3.32Å; T127-H144 HydrophobicContact CG2-CB 3.77Å; T127-H144 PolarHBondContact OG1-ND1 2.73Å |
| 128 | M | 86.7 | Confident | 87.1 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 152.3 | 167.9 | -65.9 | -171 | -65.6 | 0 | 0 | 109.8 | N130 G131 A132 V134 | M128-N130 WeakPolarHBondContact CB-OD1 3.33Å; M128-N130 PolarHBondContact O-N 2.75Å; M128-G131 PolarHBondContact O-N 2.84Å; M128-A132 HydrophobicContact CE-CB 3.87Å; M128-A132 PolarHBondContact N-O 3.38Å; M128-V134 HydrophobicContact CG-CB 4.43Å; M128-V134 HydrophobicContact CG-CG1 3.55Å; M128-V134 HydrophobicContact SD-CG1 4.49Å |
| 129 | E | 85.4 | Confident | 86.9 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -28 | -179.2 | 169.7 | 160.5 | -167.9 | 0 | 0 | 115.2 | G131 F1037 S1038 S1039 | E129-G131 PolarHBondContact O-N 2.82Å; E129-F1037 HydrophobicContact CG-CB 4.42Å; E129-F1037 WeakPolarHBondContact OE1-CB 3.48Å; E129-S1038 WeakPolarHBondContact CG-OG 3.37Å; E129-S1038 WeakPolarHBondContact OE1-CA 3.4Å; E129-S1038 WeakPolarHBondContact OE1-CB 3.36Å; E129-S1038 PolarHBondContact OE1-N 3.41Å; E129-S1038 PolarHBondContact OE1-OG 2.63Å; E129-S1038 WeakPolarHBondContact OE2-CB 3.23Å; E129-S1039 WeakPolarHBondContact OE2-CB 3.21Å; E129-S1039 PolarHBondContact OE2-OG 3.37Å |
| 130 | N | 84 | Confident | 86.9 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 5.3 | 174.8 | 62.7 | 13.5 | 0 | 0 | 0 | 114.8 | M128 A132 | M128-N130 WeakPolarHBondContact CB-OD1 3.33Å; M128-N130 PolarHBondContact O-N 2.75Å; N130-A132 WeakPolarHBondContact OD1-CB 3.47Å; N130-A132 PolarHBondContact OD1-N 3.35Å; N130-A132 VanDerWaalsContact OD1-N 3.14Å |
| 131 | G | 81.9 | Confident | 87.1 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 27.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M128 E129 | M128-G131 PolarHBondContact O-N 2.84Å; E129-G131 PolarHBondContact O-N 2.82Å |
| 132 | A | 86.8 | Confident | 87.4 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 158 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | T127 M128 N130 L138 | T127-A132 CarbonylContact C-O 3.51Å; T127-A132 WeakPolarHBondContact CA-O 3.32Å; M128-A132 HydrophobicContact CE-CB 3.87Å; M128-A132 PolarHBondContact N-O 3.38Å; N130-A132 WeakPolarHBondContact OD1-CB 3.47Å; N130-A132 PolarHBondContact OD1-N 3.35Å; N130-A132 VanDerWaalsContact OD1-N 3.14Å; A132-L138 HydrophobicContact CB-CD2 3.84Å; A132-L138 HydrophobicContact CB-CG 4.24Å |
| 133 | C | 91.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 135.8 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | K135 N136 G137 C140 H144 | C133-K135 PolarHBondContact O-N 3.45Å; C133-K135 PolarHBondContact SG-N 3.37Å; C133-K135 VanDerWaalsContact SG-N 3.42Å; C133-N136 HydrophobicContact CB-CB 4.05Å; C133-N136 PolarHBondContact SG-N 3.48Å; C133-N136 PolarHBondContact SG-ND2 2.72Å; C133-N136 VanDerWaalsContact SG-ND2 3.45Å; C133-G137 PolarHBondContact N-O 2.64Å; C133-G137 VanDerWaalsContact O-CA 3.23Å; C133-G137 WeakPolarHBondContact O-CA 3.17Å; C133-G137 PolarHBondContact O-N 3.32Å; C133-C140 HydrophobicContact CB-CB 3.58Å; C133-H144 VanDerWaalsContact CA-CE1 3.48Å; C133-H144 WeakPolarHBondContact CA-CE1 3.42Å; C133-H144 VanDerWaalsContact CB-CE1 3.48Å; C133-H144 WeakPolarHBondContact CB-CE1 3.47Å; C133-H144 WeakPolarHBondContact CB-NE2 3.21Å |
| 134 | V | 88.8 | Confident | 87.8 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.6 | 172.6 | -67.1 | 0 | 0 | 0 | 0 | 113 | E126 M128 | E126-V134 HydrophobicContact CB-CG1 3.99Å; E126-V134 HydrophobicContact CB-CG2 4.15Å; E126-V134 PolarHBondContact O-N 3.03Å; E126-V134 VanDerWaalsContact O-N 3.08Å; M128-V134 HydrophobicContact CG-CB 4.43Å; M128-V134 HydrophobicContact CG-CG1 3.55Å; M128-V134 HydrophobicContact SD-CG1 4.49Å |
| 135 | K | 87.4 | Confident | 87.9 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -45.8 | -179.8 | -176.9 | 169.2 | -176.6 | 162.9 | 0 | 114.7 | Y125 C133 | Y125-K135 HydrophobicContact CD1-CB 4.24Å; Y125-K135 HydrophobicContact CD1-CD 4.47Å; Y125-K135 HydrophobicContact CD2-CB 4.24Å; Y125-K135 HydrophobicContact CE1-CB 4.45Å; Y125-K135 HydrophobicContact CE1-CD 3.85Å; Y125-K135 HydrophobicContact CE2-CB 4.47Å; Y125-K135 HydrophobicContact CE2-CD 3.93Å; Y125-K135 HydrophobicContact CG-CB 4.13Å; C133-K135 PolarHBondContact O-N 3.45Å; C133-K135 PolarHBondContact SG-N 3.37Å; C133-K135 VanDerWaalsContact SG-N 3.42Å |
| 136 | N | 87.7 | Confident | 87.9 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 6.3 | -171.8 | -55.2 | -73.1 | 0 | 0 | 0 | 113.1 | C133 H139 C140 | C133-N136 HydrophobicContact CB-CB 4.05Å; C133-N136 PolarHBondContact SG-N 3.48Å; C133-N136 PolarHBondContact SG-ND2 2.72Å; C133-N136 VanDerWaalsContact SG-ND2 3.45Å; N136-H139 CarbonylContact O-C 3.49Å; N136-H139 PolarHBondContact O-N 3.39Å; N136-H139 VanDerWaalsContact O-N 3.16Å; N136-C140 HydrophobicContact CB-CB 3.84Å |
| 137 | G | 89.5 | Confident | 88.2 | Confident | 14 Ų | 14 | 55 Ų | 55 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | 51.7 | -138.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C133 H139 | C133-G137 PolarHBondContact N-O 2.64Å; C133-G137 VanDerWaalsContact O-CA 3.23Å; C133-G137 WeakPolarHBondContact O-CA 3.17Å; C133-G137 PolarHBondContact O-N 3.32Å; G137-H139 PolarHBondContact O-N 2.99Å |
| 138 | L | 89.5 | Confident | 88.3 | Confident | 93 Ų | 93 | 53 Ų | 53 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.5 | 178.5 | -67.8 | 168.9 | 0 | 0 | 0 | 113.5 | Y29 A132 C140 | Y29-L138 PolarHBondContact OH-O 2.81Å; Y29-L138 VanDerWaalsContact OH-O 3.09Å; A132-L138 HydrophobicContact CB-CD2 3.84Å; A132-L138 HydrophobicContact CB-CG 4.24Å; L138-C140 VanDerWaalsContact C-N 3.33Å |
| 139 | H | 92.2 | Very high | 88.5 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 27.2 | -178 | -49.5 | -46.2 | 0 | 0 | 0 | 112.6 | Y29 F33 F55 Y113 N136 G137 A141 | Y29-H139 AromaticContact CE1-CE1 2.71Å; Y29-H139 WeakPolarHBondContact CE1-CE1 3.19Å; Y29-H139 AromaticContact CE1-ND1 3.62Å; Y29-H139 AromaticContact CZ-CE1 2.68Å; Y29-H139 AromaticContact CZ-ND1 3.69Å; Y29-H139 PolarHBondContact OH-CE1 3.37Å; Y29-H139 PolarHBondContact OH-ND1 3.05Å; F33-H139 HydrophobicContact CE2-CB 4.5Å; F33-H139 AromaticContact CE2-ND1 3.9Å; F33-H139 HydrophobicContact CZ-CB 4.48Å; F55-H139 AromaticContact CD2-NE2 3.86Å; Y113-H139 PolarHBondContact OH-O 2.74Å; N136-H139 CarbonylContact O-C 3.49Å; N136-H139 PolarHBondContact O-N 3.39Å; N136-H139 VanDerWaalsContact O-N 3.16Å; G137-H139 PolarHBondContact O-N 2.99Å; H139-A141 PolarHBondContact O-N 3.12Å |
| 140 | C | 92.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | trans | -74 | 119.8 | 173.6 | -163.5 | 0 | 0 | 0 | 0 | 111.1 | K119 C123 C133 N136 L138 F142 H144 | K119-C140 WeakPolarHBondContact CE-O 3.48Å; K119-C140 PolarHBondContact NZ-O 2.81Å; C123-C140 PolarHBondContact SG-SG 2.77Å; C133-C140 HydrophobicContact CB-CB 3.58Å; N136-C140 HydrophobicContact CB-CB 3.84Å; L138-C140 VanDerWaalsContact C-N 3.33Å; C140-F142 PolarHBondContact O-N 2.7Å; C140-H144 WeakPolarHBondContact CB-NE2 3.49Å; C140-H144 PolarHBondContact SG-NE2 2.92Å; C140-H144 VanDerWaalsContact SG-NE2 3.43Å | ||
| 141 | A | 93.5 | Very high | 88.8 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -73.4 | -5.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R112 Y113 F118 K119 H139 | R112-A141 HydrophobicContact CB-CB 4.18Å; Y113-A141 HydrophobicContact CE2-CB 4.46Å; F118-A141 HydrophobicContact CD2-CB 4.29Å; K119-A141 WeakPolarHBondContact CA-O 3.48Å; K119-A141 PolarHBondContact N-O 3.4Å; H139-A141 PolarHBondContact O-N 3.12Å |
| 142 | F | 93.1 | Very high | 89 | Confident | 100 Ų | 100 | 47.1 Ų | 47.1 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -102.2 | 156.4 | 176.7 | -61.7 | -82.3 | 0 | 0 | 0 | 111.9 | K119 C123 C140 H144 | K119-F142 VanDerWaalsContact CD-O 3.28Å; K119-F142 WeakPolarHBondContact CD-O 3.2Å; K119-F142 PolarHBondContact NZ-O 2.96Å; C123-F142 HydrophobicContact CB-CB 3.76Å; C140-F142 PolarHBondContact O-N 2.7Å; F142-H144 PolarHBondContact O-CD2 2.76Å |
| 143 | A | 91.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 132.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | K119 G121 N122 C123 D148 I149 | K119-A143 HydrophobicContact CD-CB 4.44Å; G121-A143 PolarHBondContact O-N 3.27Å; N122-A143 CarbonylContact C-O 3.55Å; N122-A143 VanDerWaalsContact CA-O 3.3Å; N122-A143 WeakPolarHBondContact CA-O 3.28Å; C123-A143 PolarHBondContact N-O 2.89Å; A143-D148 WeakPolarHBondContact CA-OD2 3.46Å; A143-D148 HydrophobicContact CB-CB 4.2Å; A143-I149 HydrophobicContact CB-CB 3.89Å; A143-I149 HydrophobicContact CB-CG1 3.89Å |
| 144 | H | 89.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -97 | 19.5 | -179.7 | -77.1 | -83.9 | 0 | 0 | 0 | 114.1 | C123 T127 C133 C140 F142 D148 | C123-H144 WeakPolarHBondContact CB-CE1 3.32Å; C123-H144 WeakPolarHBondContact CB-NE2 3.5Å; C123-H144 PolarHBondContact SG-CE1 3.22Å; T127-H144 HydrophobicContact CG2-CB 3.77Å; T127-H144 PolarHBondContact OG1-ND1 2.73Å; C133-H144 VanDerWaalsContact CA-CE1 3.48Å; C133-H144 WeakPolarHBondContact CA-CE1 3.42Å; C133-H144 VanDerWaalsContact CB-CE1 3.48Å; C133-H144 WeakPolarHBondContact CB-CE1 3.47Å; C133-H144 WeakPolarHBondContact CB-NE2 3.21Å; C140-H144 WeakPolarHBondContact CB-NE2 3.49Å; C140-H144 PolarHBondContact SG-NE2 2.92Å; C140-H144 VanDerWaalsContact SG-NE2 3.43Å; F142-H144 PolarHBondContact O-CD2 2.76Å; H144-D148 PolarHBondContact N-OD2 3.26Å |
| 145 | G | 84.3 | Confident | 88.7 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 165 | 172.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D147 D148 I149 | G145-D147 PolarHBondContact O-N 2.69Å; G145-D148 PolarHBondContact O-N 3.36Å; G145-I149 PolarHBondContact O-N 3.27Å |
| 146 | P | 82.5 | Confident | 88.5 | Confident | 115 Ų | 115 | 45.6 Ų | 45.6 | 75% | 0.747 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.3 | 176.9 | 26.4 | -34.6 | 0 | 0 | 0 | 112.2 | D148 I149 | P146-D148 VanDerWaalsContact C-N 3.34Å; P146-I149 WeakPolarHBondContact O-CG2 3.43Å |
| 147 | D | 86.2 | Confident | 88.1 | Confident | 123 Ų | 123 | 49.7 Ų | 49.7 | 66% | 0.658 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20.1 | 173.7 | -91 | -64.4 | 0 | 0 | 0 | 114.8 | K23 G145 | K23-D147 WeakPolarHBondContact CE-O 3.5Å; K23-D147 PolarHBondContact NZ-O 3.03Å; K23-D147 IonicContact NZ-OD1 2.7Å; K23-D147 PolarHBondContact NZ-OD1 2.88Å; K23-D147 VanDerWaalsContact NZ-OD1 3.16Å; G145-D147 PolarHBondContact O-N 2.69Å |
| 148 | D | 90.7 | Very high | 87.4 | Confident | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -6.9 | -179.7 | -167.8 | 33.8 | 0 | 0 | 0 | 111.6 | H26 K119 A143 H144 G145 P146 | H26-D148 IonicContact CD2-OD1 2.63Å; H26-D148 PolarHBondContact CE1-O 2.99Å; H26-D148 IonicContact CE1-OD1 2.75Å; H26-D148 PolarHBondContact NE2-O 3.34Å; H26-D148 IonicContact NE2-OD1 2.73Å; H26-D148 PolarHBondContact NE2-OD1 2.85Å; K119-D148 WeakPolarHBondContact CB-O 3.37Å; K119-D148 WeakPolarHBondContact CE-OD1 3.44Å; K119-D148 WeakPolarHBondContact CE-OD2 3.23Å; K119-D148 IonicContact NZ-OD1 3.91Å; K119-D148 PolarHBondContact NZ-OD1 2.83Å; K119-D148 IonicContact NZ-OD2 3.8Å; K119-D148 PolarHBondContact NZ-OD2 3.36Å; A143-D148 WeakPolarHBondContact CA-OD2 3.46Å; A143-D148 HydrophobicContact CB-CB 4.2Å; H144-D148 PolarHBondContact N-OD2 3.26Å; G145-D148 PolarHBondContact O-N 3.36Å; P146-D148 VanDerWaalsContact C-N 3.34Å |
| 149 | I | 89.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 30% | 0.297 | 26% | 0.262 | S | S | . | . | trans | -81.6 | 142.4 | -177.3 | -146.5 | 172.8 | 0 | 0 | 0 | 112.3 | K119 N122 A143 G145 P146 L174 | K119-I149 WeakPolarHBondContact O-CA 3.32Å; K119-I149 WeakPolarHBondContact O-CG1 3.4Å; N122-I149 WeakPolarHBondContact OD1-CD1 3.41Å; A143-I149 HydrophobicContact CB-CB 3.89Å; A143-I149 HydrophobicContact CB-CG1 3.89Å; G145-I149 PolarHBondContact O-N 3.27Å; P146-I149 WeakPolarHBondContact O-CG2 3.43Å; I149-L174 HydrophobicContact CD1-CD2 3.75Å | ||
| 150 | R | 90.5 | Very high | 85.1 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | trans | -117.7 | 153.2 | 177.9 | -68 | 178.4 | 64.6 | -92.2 | -5.9 | 111.3 | E22 P115 F118 K119 T120 | E22-R150 WeakPolarHBondContact OE1-CD 3.35Å; E22-R150 IonicContact OE1-CZ 2.85Å; E22-R150 IonicContact OE1-NE 3.61Å; E22-R150 PolarHBondContact OE1-NE 3.49Å; E22-R150 IonicContact OE2-CZ 2.8Å; E22-R150 VanDerWaalsContact OE2-CZ 3.25Å; E22-R150 IonicContact OE2-NE 3.61Å; E22-R150 PolarHBondContact OE2-NE 2.81Å; E22-R150 IonicContact OE2-NH2 3.16Å; E22-R150 PolarHBondContact OE2-NH2 3.23Å; P115-R150 PolarHBondContact O-NH1 2.82Å; F118-R150 WeakPolarHBondContact O-CD 3.38Å; F118-R150 PolarHBondContact O-NH1 2.86Å; K119-R150 HydrophobicContact CB-CB 4.24Å; K119-R150 HydrophobicContact CB-CG 3.87Å; K119-R150 PolarHBondContact O-N 3.05Å; T120-R150 WeakPolarHBondContact CA-O 3.25Å; T120-R150 HydrophobicContact CG2-CB 4.22Å | ||
| 151 | L | 85.6 | Confident | 83.4 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | trans | -76.4 | 139.2 | 165.8 | -63.2 | 178.4 | 0 | 0 | 0 | 110.1 | P171 | L151-P171 HydrophobicContact CD2-CB 3.87Š| ||
| 152 | P | 86.6 | Confident | 81.3 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | trans | -61.1 | 134.7 | 170.2 | -18.1 | 28.3 | 0 | 0 | 0 | 112.3 | T120 Y154 L174 | T120-P152 HydrophobicContact CG2-CB 4.29Å; T120-P152 HydrophobicContact CG2-CG 4.1Å; P152-Y154 HydrophobicContact CB-CD2 4.33Å; P152-Y154 HydrophobicContact CB-CE2 3.63Å; P152-Y154 HydrophobicContact CG-CE2 4.36Å; P152-L174 HydrophobicContact CG-CD1 3.96Å | ||
| 153 | V | 89.4 | Confident | 79.1 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | trans | -100 | 115.7 | 169.9 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | Y17 F75 P115 | Y17-V153 HydrophobicContact CD1-CG1 4.44Å; Y17-V153 HydrophobicContact CD1-CG2 3.86Å; Y17-V153 HydrophobicContact CE1-CG2 3.53Å; Y17-V153 HydrophobicContact CE2-CG2 4.36Å; Y17-V153 HydrophobicContact CG-CG2 4.43Å; F75-V153 HydrophobicContact CE2-CG1 4.2Å; F75-V153 HydrophobicContact CZ-CB 4.32Å; F75-V153 HydrophobicContact CZ-CG1 3.82Å; P115-V153 HydrophobicContact CB-CB 3.91Å; P115-V153 HydrophobicContact CB-CG2 4.09Å; P115-V153 PolarHBondContact O-N 2.95Å | ||
| 154 | Y | 85.9 | Confident | 76.9 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | trans | -91.4 | 158.3 | 179.7 | -63 | -92.6 | 0 | 0 | 0 | 112.2 | K69 P152 | K69-Y154 PolarHBondContact NZ-O 2.9Å; P152-Y154 HydrophobicContact CB-CD2 4.33Å; P152-Y154 HydrophobicContact CB-CE2 3.63Å; P152-Y154 HydrophobicContact CG-CE2 4.36Å | ||
| 155 | D | 84.5 | Confident | 74.4 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.032 | 39% | 0.391 | C | S | . | . | trans | -67.5 | 149.5 | 166 | -167.9 | -73.1 | 0 | 0 | 0 | 110.3 | T74 F75 R157 V159 | T74-D155 WeakPolarHBondContact CA-OD2 3.38Å; T74-D155 WeakPolarHBondContact CB-OD2 3.49Å; F75-D155 HydrophobicContact CD2-CB 4.35Å; F75-D155 PolarHBondContact N-OD2 3.07Å; D155-R157 VanDerWaalsContact C-N 3.28Å; D155-R157 PolarHBondContact O-N 3.3Å; D155-R157 WeakPolarHBondContact OD1-CB 3.48Å; D155-R157 WeakPolarHBondContact OD1-CG 3.48Å; D155-R157 IonicContact OD1-CZ 3.38Å; D155-R157 PolarHBondContact OD1-N 3.16Å; D155-R157 IonicContact OD1-NE 2.64Å; D155-R157 PolarHBondContact OD1-NE 3.03Å; D155-R157 IonicContact OD1-NH2 2.72Å; D155-R157 IonicContact OD2-CZ 3.74Å; D155-R157 IonicContact OD2-NE 2.84Å; D155-R157 IonicContact OD2-NH2 3.5Å; D155-R157 PolarHBondContact OD2-NH2 3.45Å; D155-V159 WeakPolarHBondContact O-CG2 3.48Å; D155-V159 PolarHBondContact O-N 3.22Å | ||
| 156 | I | 83 | Confident | 71.9 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 27% | 0.272 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -36 | -179.5 | -168.1 | 62 | 0 | 0 | 0 | 112.9 | G73 T74 V159 Q160 | G73-I156 VanDerWaalsContact C-CG2 3.42Å; G73-I156 VanDerWaalsContact O-CB 3.29Å; G73-I156 WeakPolarHBondContact O-CB 3.38Å; G73-I156 WeakPolarHBondContact O-CG2 3.48Å; G73-I156 PolarHBondContact O-N 3.18Å; T74-I156 HydrophobicContact CG2-CG2 3.97Å; I156-V159 PolarHBondContact O-N 3.18Å; I156-Q160 HydrophobicContact CG1-CG 4.49Å; I156-Q160 WeakPolarHBondContact O-CG 3.42Å; I156-Q160 PolarHBondContact O-N 2.82Å |
| 157 | R | 79.4 | Confident | 69.4 | Low | 118 Ų | 118 | 78.9 Ų | 78.9 | 45% | 0.445 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -51.3 | -174.8 | -67.2 | 168.6 | -74 | -170.3 | -4.8 | 110.7 | T74 D155 V159 Q160 D161 | T74-R157 HydrophobicContact CG2-CG 4.3Å; D155-R157 VanDerWaalsContact C-N 3.28Å; D155-R157 PolarHBondContact O-N 3.3Å; D155-R157 WeakPolarHBondContact OD1-CB 3.48Å; D155-R157 WeakPolarHBondContact OD1-CG 3.48Å; D155-R157 IonicContact OD1-CZ 3.38Å; D155-R157 PolarHBondContact OD1-N 3.16Å; D155-R157 IonicContact OD1-NE 2.64Å; D155-R157 PolarHBondContact OD1-NE 3.03Å; D155-R157 IonicContact OD1-NH2 2.72Å; D155-R157 IonicContact OD2-CZ 3.74Å; D155-R157 IonicContact OD2-NE 2.84Å; D155-R157 IonicContact OD2-NH2 3.5Å; D155-R157 PolarHBondContact OD2-NH2 3.45Å; R157-V159 VanDerWaalsContact C-N 3.27Å; R157-V159 PolarHBondContact O-N 3.07Å; R157-Q160 CarbonylContact O-C 3.32Å; R157-Q160 WeakPolarHBondContact O-CA 3.47Å; R157-Q160 WeakPolarHBondContact O-CB 3.46Å; R157-Q160 PolarHBondContact O-N 3.43Å; R157-D161 PolarHBondContact O-N 3.47Å |
| 158 | E | 74.3 | Confident | 66.9 | Low | 61 Ų | 61 | 78.5 Ų | 78.5 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.3 | -29.7 | -179.8 | -60.9 | 170.4 | -120.1 | 0 | 0 | 113.1 | R116 A162 | R116-E158 IonicContact CZ-OE1 3.86Å; R116-E158 IonicContact CZ-OE2 3.91Å; R116-E158 IonicContact NH1-OE1 3.6Å; R116-E158 PolarHBondContact NH1-OE1 3.39Å; R116-E158 IonicContact NH1-OE2 2.86Å; R116-E158 PolarHBondContact NH1-OE2 2.98Å; R116-E158 IonicContact NH2-OE1 2.66Å; R116-E158 PolarHBondContact NH2-OE1 3.07Å; R116-E158 IonicContact NH2-OE2 2.71Å; R116-E158 PolarHBondContact NH2-OE2 3.29Å; E158-A162 WeakPolarHBondContact O-CB 3.47Å; E158-A162 PolarHBondContact O-N 3.39Å; E158-A162 VanDerWaalsContact O-N 3.12Å |
| 159 | V | 69.8 | Low | 63.9 | Low | 66 Ų | 66 | 84 Ų | 84 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.1 | -35 | 172.8 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | D155 I156 R157 S163 | D155-V159 WeakPolarHBondContact O-CG2 3.48Å; D155-V159 PolarHBondContact O-N 3.22Å; I156-V159 PolarHBondContact O-N 3.18Å; R157-V159 VanDerWaalsContact C-N 3.27Å; R157-V159 PolarHBondContact O-N 3.07Å; V159-S163 PolarHBondContact O-N 3.46Å |
| 160 | Q | 65.1 | Low | 60.9 | Low | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.2 | -45.1 | 174.7 | -70.7 | 169.4 | -19.1 | 0 | 0 | 111.3 | I156 R157 A162 S163 | I156-Q160 HydrophobicContact CG1-CG 4.49Å; I156-Q160 WeakPolarHBondContact O-CG 3.42Å; I156-Q160 PolarHBondContact O-N 2.82Å; R157-Q160 CarbonylContact O-C 3.32Å; R157-Q160 WeakPolarHBondContact O-CA 3.47Å; R157-Q160 WeakPolarHBondContact O-CB 3.46Å; R157-Q160 PolarHBondContact O-N 3.43Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.83Å; Q160-S163 WeakPolarHBondContact O-CB 3.14Å; Q160-S163 PolarHBondContact O-N 2.87Å; Q160-S163 PolarHBondContact O-OG 2.76Å |
| 161 | D | 55.7 | Low | 58.1 | Low | 112 Ų | 112 | 91.2 Ų | 91.2 | 60% | 0.599 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -56.1 | -47.5 | 175.9 | -64.1 | -38.5 | 0 | 0 | 0 | 111.3 | R157 S163 S164 | R157-D161 PolarHBondContact O-N 3.47Å; D161-S163 VanDerWaalsContact C-N 3.28Å; D161-S163 PolarHBondContact O-N 3.45Å; D161-S164 WeakPolarHBondContact O-CB 3.47Å; D161-S164 PolarHBondContact O-N 3.33Å; D161-S164 PolarHBondContact O-OG 2.99Å |
| 162 | A | 50 | Low | 55.4 | Low | 53 Ų | 53 | 90.3 Ų | 90.3 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -31.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E158 Q160 S164 K165 F166 | E158-A162 WeakPolarHBondContact O-CB 3.47Å; E158-A162 PolarHBondContact O-N 3.39Å; E158-A162 VanDerWaalsContact O-N 3.12Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.83Å; A162-S164 PolarHBondContact O-N 3.34Å; A162-S164 VanDerWaalsContact O-N 3.15Å; A162-K165 CarbonylContact O-C 3.53Å; A162-K165 PolarHBondContact O-N 3.09Å; A162-F166 PolarHBondContact O-N 2.85Å |
| 163 | S | 47.3 | Very low | 53.2 | Low | 85 Ų | 85 | 92.8 Ų | 92.8 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -18.4 | -179 | 78.9 | 0 | 0 | 0 | 0 | 113.8 | V159 Q160 D161 K165 | V159-S163 PolarHBondContact O-N 3.46Å; Q160-S163 WeakPolarHBondContact O-CB 3.14Å; Q160-S163 PolarHBondContact O-N 2.87Å; Q160-S163 PolarHBondContact O-OG 2.76Å; D161-S163 VanDerWaalsContact C-N 3.28Å; D161-S163 PolarHBondContact O-N 3.45Å; S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact O-N 1.93Å |
| 164 | S | 45.4 | Very low | 50.8 | Low | 99 Ų | 99 | 94.3 Ų | 94.3 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.3 | 172.2 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | D161 A162 | D161-S164 WeakPolarHBondContact O-CB 3.47Å; D161-S164 PolarHBondContact O-N 3.33Å; D161-S164 PolarHBondContact O-OG 2.99Å; A162-S164 PolarHBondContact O-N 3.34Å; A162-S164 VanDerWaalsContact O-N 3.15Å |
| 165 | K | 37.4 | Very low | 48.6 | Very low | 190 Ų | 190 | 95.6 Ų | 95.6 | 83% | 0.826 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.6 | 81.4 | 174.7 | -76.1 | -174.8 | -179.9 | 169.8 | 0 | 111.7 | A162 S163 | A162-K165 CarbonylContact O-C 3.53Å; A162-K165 PolarHBondContact O-N 3.09Å; S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact O-N 1.93Å |
| 166 | F | 31 | Very low | 46.4 | Very low | 169 Ų | 169 | 101.2 Ų | 101.2 | 74% | 0.741 | 55% | 0.553 | S | S | * | * | trans | 151.9 | 143.2 | 146.2 | -171.5 | -103.3 | 0 | 0 | 0 | 110.6 | A162 | A162-F166 PolarHBondContact O-N 2.85Š| ||
| 167 | T | 30.9 | Very low | 44.6 | Very low | 106 Ų | 106 | 104.2 Ų | 104.2 | 65% | 0.65 | 57% | 0.566 | S | S | * | * | trans | -83.2 | 119 | -179.3 | 41.8 | 0 | 0 | 0 | 0 | 111.6 | N169 | T167-N169 PolarHBondContact O-N 3.13Š| ||
| 168 | V | 32.1 | Very low | 42.7 | Very low | 115 Ų | 115 | 103.5 Ų | 103.5 | 70% | 0.697 | 56% | 0.563 | S | S | * | * | trans | -71.8 | 101.3 | -177.7 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 169 | N | 28.1 | Very low | 41.1 | Very low | 139 Ų | 139 | 101.8 Ų | 101.8 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | trans | -127.4 | 82.3 | 175.5 | -97.5 | -40.8 | 0 | 0 | 0 | 112.6 | T167 | T167-N169 PolarHBondContact O-N 3.13Š| ||
| 170 | L | 27.3 | Very low | 39.8 | Very low | 123 Ų | 123 | 102.4 Ų | 102.4 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 61.8 | -179.3 | 150.4 | -104.8 | 68.1 | 0 | 0 | 0 | 117 | A172 | L170-A172 PolarHBondContact O-N 3.46Š|
| 171 | P | 30.8 | Very low | 39 | Very low | 100 Ų | 100 | 99.1 Ų | 99.1 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 85.5 | -150.3 | 34.5 | -37.6 | 0 | 0 | 0 | 114.4 | L151 | L151-P171 HydrophobicContact CD2-CB 3.87Š|
| 172 | A | 29.8 | Very low | 39 | Very low | 76 Ų | 76 | 101.4 Ų | 101.4 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 0.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L170 L174 | L170-A172 PolarHBondContact O-N 3.46Å; A172-L174 PolarHBondContact O-N 3.19Å |
| 173 | S | 39.1 | Very low | 40.1 | Very low | 75 Ų | 75 | 101.3 Ų | 101.3 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.7 | -4 | -177.5 | -162.3 | 0 | 0 | 0 | 0 | 114.2 | K176 E177 | S173-K176 PolarHBondContact O-N 3.28Å; S173-E177 PolarHBondContact O-N 2.6Å |
| 174 | L | 40.3 | Very low | 41.8 | Very low | 44 Ų | 44 | 101.6 Ų | 101.6 | 23% | 0.23 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -79.3 | -40.1 | -173.3 | -150.3 | 80.3 | 0 | 0 | 0 | 112.8 | T120 I149 P152 A172 K176 | T120-L174 WeakPolarHBondContact O-CD1 3.2Å; I149-L174 HydrophobicContact CD1-CD2 3.75Å; P152-L174 HydrophobicContact CG-CD1 3.96Å; A172-L174 PolarHBondContact O-N 3.19Å; L174-K176 VanDerWaalsContact C-N 3.28Å |
| 175 | E | 38.9 | Very low | 43.7 | Very low | 103 Ų | 103 | 101.5 Ų | 101.5 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 162.8 | -87.8 | 60.2 | -145.4 | 0 | 0 | 110.7 | E177 R178 V179 | E175-E177 PolarHBondContact O-N 3.01Å; E175-R178 PolarHBondContact O-N 3.46Å; E175-R178 VanDerWaalsContact O-N 3.16Å; E175-V179 PolarHBondContact O-N 3.28Å |
| 176 | K | 38.2 | Very low | 46.1 | Very low | 125 Ų | 125 | 93.9 Ų | 93.9 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | -169.8 | -151.6 | -173.5 | -179.2 | -174.1 | 0 | 112.6 | S173 L174 R178 L180 | S173-K176 PolarHBondContact O-N 3.28Å; L174-K176 VanDerWaalsContact C-N 3.28Å; K176-R178 VanDerWaalsContact C-N 3.26Å; K176-R178 PolarHBondContact O-N 3.23Å; K176-L180 HydrophobicContact CB-CD1 4.44Å; K176-L180 HydrophobicContact CG-CB 3.68Å; K176-L180 HydrophobicContact CG-CD1 4.07Å; K176-L180 HydrophobicContact CG-CG 4.46Å; K176-L180 PolarHBondContact O-N 2.92Å |
| 177 | E | 45.7 | Very low | 48.7 | Very low | 115 Ų | 115 | 89.6 Ų | 89.6 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.9 | -14.9 | 179.4 | -148.8 | -174.4 | -176.8 | 0 | 0 | 113.6 | S173 E175 | S173-E177 PolarHBondContact O-N 2.6Å; E175-E177 PolarHBondContact O-N 3.01Å |
| 178 | R | 40.2 | Very low | 51.5 | Low | 103 Ų | 103 | 90.2 Ų | 90.2 | 39% | 0.389 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -101.1 | -19.8 | 178.7 | -69.8 | -164.5 | 172.4 | 90.8 | 5.2 | 115.1 | T120 E175 K176 | T120-R178 VanDerWaalsContact O-CZ 3.26Å; T120-R178 PolarHBondContact O-NH1 3.45Å; T120-R178 PolarHBondContact O-NH2 3.39Å; E175-R178 PolarHBondContact O-N 3.46Å; E175-R178 VanDerWaalsContact O-N 3.16Å; K176-R178 VanDerWaalsContact C-N 3.26Å; K176-R178 PolarHBondContact O-N 3.23Å |
| 179 | V | 39.7 | Very low | 54.2 | Low | 26 Ų | 26 | 86.3 Ų | 86.3 | 16% | 0.158 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -134.3 | -26.2 | -171.2 | 177.4 | 0 | 0 | 0 | 0 | 114.5 | E175 | E175-V179 PolarHBondContact O-N 3.28Å |
| 180 | L | 42.7 | Very low | 57.2 | Low | 78 Ų | 78 | 84 Ų | 84 | 41% | 0.408 | 44% | 0.438 | S | S | . | . | trans | -118.8 | 97.3 | -156 | -62.4 | 174.3 | 0 | 0 | 0 | 116.2 | K176 | K176-L180 HydrophobicContact CB-CD1 4.44Å; K176-L180 HydrophobicContact CG-CB 3.68Å; K176-L180 HydrophobicContact CG-CD1 4.07Å; K176-L180 HydrophobicContact CG-CG 4.46Å; K176-L180 PolarHBondContact O-N 2.92Å | ||
| 181 | S | 48.9 | Very low | 60.3 | Low | 45 Ų | 45 | 80.2 Ų | 80.2 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | trans | 58.6 | 89.9 | 140.3 | -52.7 | 0 | 0 | 0 | 0 | 118.8 | D183 N187 | S181-D183 VanDerWaalsContact C-N 3.28Å; S181-D183 WeakPolarHBondContact CB-O 3.17Å; S181-N187 PolarHBondContact OG-ND2 3.26Å | ||
| 182 | E | 55 | Low | 63.2 | Low | 160 Ų | 160 | 75.5 Ų | 75.5 | 75% | 0.748 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -68.3 | -30.5 | 145.2 | -72.1 | 179.6 | -169.7 | 0 | 0 | 110.5 | K203 | E182-K203 IonicContact OE1-NZ 2.7Å; E182-K203 PolarHBondContact OE1-NZ 3.08Å; E182-K203 IonicContact OE2-NZ 3.25Å |
| 183 | D | 72.7 | Confident | 66.2 | Low | 52 Ų | 52 | 71.9 Ų | 71.9 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -130.1 | 131.9 | 167.8 | -173.2 | -33.3 | 0 | 0 | 0 | 109.2 | S181 K185 W186 | S181-D183 VanDerWaalsContact C-N 3.28Å; S181-D183 WeakPolarHBondContact CB-O 3.17Å; D183-K185 PolarHBondContact O-N 2.81Å; D183-K185 WeakPolarHBondContact OD1-CB 3.4Å; D183-K185 VanDerWaalsContact OD1-CG 3.28Å; D183-K185 WeakPolarHBondContact OD1-CG 3.46Å; D183-K185 PolarHBondContact OD1-N 3.06Å; D183-K185 IonicContact OD1-NZ 3.96Å; D183-K185 IonicContact OD2-NZ 3.56Å; D183-K185 PolarHBondContact OD2-NZ 3.2Å; D183-W186 PolarHBondContact O-N 3.25Å |
| 184 | P | 82.9 | Confident | 68.7 | Low | 91 Ų | 91 | 68.9 Ų | 68.9 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -55.3 | -28.8 | 174.9 | -27.9 | 36.3 | 0 | 0 | 0 | 115.4 | W186 N187 | P184-W186 PolarHBondContact O-N 2.82Å; P184-W186 VanDerWaalsContact O-N 3.12Å; P184-N187 WeakPolarHBondContact O-CB 3.4Å; P184-N187 PolarHBondContact O-N 2.75Å; P184-N187 PolarHBondContact O-ND2 2.92Å; P184-N187 VanDerWaalsContact O-ND2 3.08Å |
| 185 | K | 86.5 | Confident | 71.2 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -57.8 | -26.6 | -179 | -64.6 | -176.5 | -152.1 | 93 | 0 | 113.2 | D183 N187 E188 H191 | D183-K185 PolarHBondContact O-N 2.81Å; D183-K185 WeakPolarHBondContact OD1-CB 3.4Å; D183-K185 VanDerWaalsContact OD1-CG 3.28Å; D183-K185 WeakPolarHBondContact OD1-CG 3.46Å; D183-K185 PolarHBondContact OD1-N 3.06Å; D183-K185 IonicContact OD1-NZ 3.96Å; D183-K185 IonicContact OD2-NZ 3.56Å; D183-K185 PolarHBondContact OD2-NZ 3.2Å; K185-N187 PolarHBondContact O-N 3.21Å; K185-N187 VanDerWaalsContact O-N 3.1Å; K185-E188 WeakPolarHBondContact O-CB 3.32Å; K185-E188 PolarHBondContact O-N 3.33Å; K185-H191 HydrophobicContact CB-CB 4.35Å; K185-H191 VanDerWaalsContact CB-CD2 3.46Å; K185-H191 WeakPolarHBondContact CB-CD2 3.43Å; K185-H191 WeakPolarHBondContact O-CB 3.46Å; K185-H191 PolarHBondContact O-CD2 3.1Å |
| 186 | W | 87.9 | Confident | 73.8 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 11% | 0.114 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -69 | -4 | 177.1 | -70.6 | 112.2 | 0 | 0 | 0 | 114.6 | D183 P184 H191 V192 C195 Y196 P215 P292 F293 | D183-W186 PolarHBondContact O-N 3.25Å; P184-W186 PolarHBondContact O-N 2.82Å; P184-W186 VanDerWaalsContact O-N 3.12Å; W186-H191 AromaticContact CD2-CD2 3.81Å; W186-H191 AromaticContact CD2-NE2 3.93Å; W186-H191 AromaticContact CE2-NE2 3.72Å; W186-H191 AromaticContact CE3-CD2 3.81Å; W186-H191 AromaticContact CZ2-NE2 3.86Å; W186-V192 HydrophobicContact CE3-CG2 4.22Å; W186-V192 WeakPolarHBondContact O-CG2 3.45Å; W186-C195 HydrophobicContact CH2-CB 3.66Å; W186-C195 HydrophobicContact CZ2-CB 4.42Å; W186-C195 HydrophobicContact CZ3-CB 4.18Å; W186-Y196 HydrophobicContact CZ3-CD2 4.44Å; W186-P215 HydrophobicContact CD2-CB 3.9Å; W186-P215 HydrophobicContact CD2-CG 4.19Å; W186-P215 HydrophobicContact CE3-CB 4.03Å; W186-P215 HydrophobicContact CH2-CB 3.56Å; W186-P215 HydrophobicContact CZ2-CB 3.42Å; W186-P215 VanDerWaalsContact CZ2-CB 3.42Å; W186-P215 HydrophobicContact CZ2-CG 4.38Å; W186-P215 HydrophobicContact CZ3-CB 3.88Å; W186-P292 WeakPolarHBondContact O-CB 3.45Å; W186-P292 WeakPolarHBondContact O-CG 3.46Å; W186-F293 HydrophobicContact CB-CE1 4.25Å; W186-F293 HydrophobicContact CB-CZ 4.11Å; W186-F293 HydrophobicContact CD2-CE1 4.24Å; W186-F293 AromaticContact CE3-CE1 3.8Å; W186-F293 HydrophobicContact CE3-CE1 3.8Å; W186-F293 HydrophobicContact CG-CE1 4.47Å; W186-F293 HydrophobicContact CG-CZ 4.49Å |
| 187 | N | 85.1 | Confident | 76.3 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -89.2 | -12.2 | 166 | -54.9 | -57.3 | 0 | 0 | 0 | 112.8 | S181 P184 K185 | S181-N187 PolarHBondContact OG-ND2 3.26Å; P184-N187 WeakPolarHBondContact O-CB 3.4Å; P184-N187 PolarHBondContact O-N 2.75Å; P184-N187 PolarHBondContact O-ND2 2.92Å; P184-N187 VanDerWaalsContact O-ND2 3.08Å; K185-N187 PolarHBondContact O-N 3.21Å; K185-N187 VanDerWaalsContact O-N 3.1Å |
| 188 | E | 88.6 | Confident | 78.6 | Confident | 119 Ų | 119 | 55.3 Ų | 55.3 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -86.6 | 125.7 | -177.7 | -62.7 | -178.5 | -177.5 | 0 | 0 | 111.2 | K185 F190 H191 V192 | K185-E188 WeakPolarHBondContact O-CB 3.32Å; K185-E188 PolarHBondContact O-N 3.33Å; E188-F190 VanDerWaalsContact C-N 3.3Å; E188-F190 PolarHBondContact O-N 2.78Å; E188-H191 HydrophobicContact CB-CB 4.22Å; E188-H191 PolarHBondContact O-N 2.98Å; E188-H191 VanDerWaalsContact O-N 3.07Å; E188-V192 PolarHBondContact O-N 3.21Å |
| 189 | M | 88.7 | Confident | 81.1 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 16% | 0.163 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.5 | -45.8 | -174.6 | -155.7 | 73.3 | 81.3 | 0 | 0 | 113.2 | L193 Y274 K275 E302 I305 | M189-L193 WeakPolarHBondContact O-CB 3.17Å; M189-L193 PolarHBondContact O-N 2.78Å; M189-Y274 HydrophobicContact CG-CE1 3.9Å; M189-Y274 HydrophobicContact SD-CE1 3.8Å; M189-K275 HydrophobicContact CE-CD 3.95Å; M189-K275 HydrophobicContact SD-CD 3.59Å; M189-K275 VanDerWaalsContact SD-CD 3.59Å; M189-K275 VanDerWaalsContact SD-CE 3.57Å; M189-K275 PolarHBondContact SD-NZ 2.97Å; M189-E302 HydrophobicContact CE-CB 3.87Å; M189-E302 HydrophobicContact CE-CG 3.63Å; M189-E302 WeakPolarHBondContact CE-OE1 3.34Å; M189-I305 HydrophobicContact CB-CD1 4.26Å; M189-I305 HydrophobicContact CB-CG2 4.16Å; M189-I305 HydrophobicContact CE-CD1 3.63Å; M189-I305 HydrophobicContact CG-CB 4.23Å; M189-I305 HydrophobicContact CG-CD1 3.9Å; M189-I305 HydrophobicContact CG-CG2 3.72Å |
| 190 | F | 91.1 | Very high | 83.5 | Confident | 90 Ų | 90 | 59 Ų | 59 | 40% | 0.395 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.6 | -32.3 | -178.4 | -63.4 | -65.3 | 0 | 0 | 0 | 112.8 | E188 L193 G194 I305 D308 F309 | E188-F190 VanDerWaalsContact C-N 3.3Å; E188-F190 PolarHBondContact O-N 2.78Å; F190-L193 PolarHBondContact O-N 2.91Å; F190-G194 PolarHBondContact O-N 2.8Å; F190-I305 HydrophobicContact CD1-CG2 4.02Å; F190-I305 HydrophobicContact CE1-CG2 3.43Å; F190-I305 VanDerWaalsContact CE1-CG2 3.43Å; F190-I305 HydrophobicContact CE2-CG2 4.28Å; F190-I305 HydrophobicContact CZ-CG2 3.58Å; F190-D308 HydrophobicContact CE1-CB 4.33Å; F190-D308 HydrophobicContact CZ-CB 4.23Å; F190-F309 HydrophobicContact CD1-CB 4.11Å; F190-F309 AromaticContact CD1-CD2 3.83Å; F190-F309 HydrophobicContact CD1-CD2 3.83Å; F190-F309 HydrophobicContact CD1-CG 4.43Å; F190-F309 HydrophobicContact CE1-CB 4.09Å |
| 191 | H | 92.7 | Very high | 85.8 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.4 | -38.4 | 176.3 | -173.7 | 65.6 | 0 | 0 | 0 | 111.6 | K185 W186 E188 G194 C195 | K185-H191 HydrophobicContact CB-CB 4.35Å; K185-H191 VanDerWaalsContact CB-CD2 3.46Å; K185-H191 WeakPolarHBondContact CB-CD2 3.43Å; K185-H191 WeakPolarHBondContact O-CB 3.46Å; K185-H191 PolarHBondContact O-CD2 3.1Å; W186-H191 AromaticContact CD2-CD2 3.81Å; W186-H191 AromaticContact CD2-NE2 3.93Å; W186-H191 AromaticContact CE2-NE2 3.72Å; W186-H191 AromaticContact CE3-CD2 3.81Å; W186-H191 AromaticContact CZ2-NE2 3.86Å; E188-H191 HydrophobicContact CB-CB 4.22Å; E188-H191 PolarHBondContact O-N 2.98Å; E188-H191 VanDerWaalsContact O-N 3.07Å; H191-G194 PolarHBondContact O-N 3.47Å; H191-C195 VanDerWaalsContact CE1-SG 3.53Å; H191-C195 WeakPolarHBondContact O-CB 3.42Å; H191-C195 PolarHBondContact O-N 3.07Å |
| 192 | V | 92.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 168.9 | 177 | 0 | 0 | 0 | 0 | 109.9 | W186 E188 G194 Y196 F269 Y274 P292 F293 | W186-V192 HydrophobicContact CE3-CG2 4.22Å; W186-V192 WeakPolarHBondContact O-CG2 3.45Å; E188-V192 PolarHBondContact O-N 3.21Å; V192-G194 VanDerWaalsContact C-N 3.34Å; V192-G194 PolarHBondContact O-N 3.4Å; V192-Y196 WeakPolarHBondContact O-CB 3.44Å; V192-Y196 PolarHBondContact O-N 2.95Å; V192-F269 HydrophobicContact CG1-CD1 4.37Å; V192-F269 HydrophobicContact CG1-CE1 3.95Å; V192-Y274 HydrophobicContact CG1-CE2 4.48Å; V192-P292 HydrophobicContact CG2-CB 4.46Å; V192-F293 HydrophobicContact CG1-CD1 4.45Å |
| 193 | L | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 179.7 | -175.9 | 57.7 | 0 | 0 | 0 | 112.9 | M189 F190 R224 F269 P271 Y274 F309 | M189-L193 WeakPolarHBondContact O-CB 3.17Å; M189-L193 PolarHBondContact O-N 2.78Å; F190-L193 PolarHBondContact O-N 2.91Å; L193-R224 VanDerWaalsContact O-CZ 3.24Å; L193-R224 PolarHBondContact O-NH1 2.87Å; L193-R224 PolarHBondContact O-NH2 2.8Å; L193-F269 VanDerWaalsContact CD1-O 3.26Å; L193-F269 WeakPolarHBondContact CD1-O 3.38Å; L193-P271 HydrophobicContact CD1-CG 4.49Å; L193-P271 HydrophobicContact CD2-CB 4.42Å; L193-Y274 HydrophobicContact CB-CD1 4.34Å; L193-Y274 HydrophobicContact CB-CE1 4.41Å; L193-Y274 HydrophobicContact CD1-CD1 4Å; L193-Y274 HydrophobicContact CD1-CG 3.91Å; L193-Y274 HydrophobicContact CD2-CD1 4.32Å; L193-Y274 HydrophobicContact CG-CD1 4.46Å; L193-F309 HydrophobicContact CD2-CB 3.68Å; L193-F309 HydrophobicContact CD2-CD1 3.73Å; L193-F309 HydrophobicContact CD2-CD2 4.21Å; L193-F309 HydrophobicContact CD2-CE1 4.41Å; L193-F309 HydrophobicContact CD2-CG 3.6Å; L193-F309 HydrophobicContact CG-CD1 4.18Å; L193-F309 HydrophobicContact CG-CE1 4.38Å; L193-F309 HydrophobicContact CG-CG 4.33Å |
| 194 | G | 92.5 | Very high | 88.1 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.9 | -60.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F190 H191 V192 T198 R224 P227 | F190-G194 PolarHBondContact O-N 2.8Å; H191-G194 PolarHBondContact O-N 3.47Å; V192-G194 VanDerWaalsContact C-N 3.34Å; V192-G194 PolarHBondContact O-N 3.4Å; G194-T198 WeakPolarHBondContact O-CG2 3.37Å; G194-R224 PolarHBondContact O-NH1 3.18Å; G194-P227 WeakPolarHBondContact O-CD 3.46Å |
| 195 | C | 92.4 | Very high | 87.3 | Confident | 49 Ų | 49 | 58 Ų | 58 | 33% | 0.331 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -101.8 | -8.2 | -161 | -58.5 | 0 | 0 | 0 | 0 | 115.2 | W186 H191 K197 T198 | W186-C195 HydrophobicContact CH2-CB 3.66Å; W186-C195 HydrophobicContact CZ2-CB 4.42Å; W186-C195 HydrophobicContact CZ3-CB 4.18Å; H191-C195 VanDerWaalsContact CE1-SG 3.53Å; H191-C195 WeakPolarHBondContact O-CB 3.42Å; H191-C195 PolarHBondContact O-N 3.07Å; C195-K197 PolarHBondContact O-N 2.73Å; C195-K197 VanDerWaalsContact O-N 3.15Å; C195-T198 PolarHBondContact O-N 2.63Å; C195-T198 PolarHBondContact O-OG1 3.48Å |
| 196 | Y | 93 | Very high | 86 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 121.5 | -176 | -174.1 | -105.3 | 0 | 0 | 0 | 111.9 | W186 V192 T198 Y212 C214 R224 T265 F269 F293 | W186-Y196 HydrophobicContact CZ3-CD2 4.44Å; V192-Y196 WeakPolarHBondContact O-CB 3.44Å; V192-Y196 PolarHBondContact O-N 2.95Å; Y196-T198 PolarHBondContact O-N 3.48Å; Y196-Y212 PolarHBondContact OH-O 2.8Å; Y196-C214 WeakPolarHBondContact CE2-O 3.37Å; Y196-R224 PolarHBondContact O-NH1 3.34Å; Y196-T265 HydrophobicContact CD1-CG2 4.38Å; Y196-T265 HydrophobicContact CE1-CG2 4.33Å; Y196-F269 AromaticContact CD1-CD1 3.75Å; Y196-F269 HydrophobicContact CD1-CD1 3.75Å; Y196-F269 AromaticContact CD1-CD2 3.94Å; Y196-F269 HydrophobicContact CD1-CD2 3.94Å; Y196-F269 AromaticContact CD1-CE1 3.47Å; Y196-F269 HydrophobicContact CD1-CE1 3.47Å; Y196-F269 VanDerWaalsContact CD1-CE1 3.47Å; Y196-F269 AromaticContact CD1-CE2 3.7Å; Y196-F269 HydrophobicContact CD1-CE2 3.7Å; Y196-F269 AromaticContact CD1-CG 3.99Å; Y196-F269 HydrophobicContact CD1-CG 3.99Å; Y196-F269 AromaticContact CD1-CZ 3.45Å; Y196-F269 HydrophobicContact CD1-CZ 3.45Å; Y196-F269 VanDerWaalsContact CD1-CZ 3.45Å; Y196-F269 HydrophobicContact CE1-CD1 4.43Å; Y196-F269 HydrophobicContact CE1-CD2 4.1Å; Y196-F269 AromaticContact CE1-CE1 3.82Å; Y196-F269 HydrophobicContact CE1-CE1 3.82Å; Y196-F269 AromaticContact CE1-CE2 3.45Å; Y196-F269 HydrophobicContact CE1-CE2 3.45Å; Y196-F269 VanDerWaalsContact CE1-CE2 3.45Å; Y196-F269 AromaticContact CE1-CZ 3.29Å; Y196-F269 HydrophobicContact CE1-CZ 3.29Å; Y196-F269 HydrophobicContact CG-CD1 4.32Å; Y196-F269 HydrophobicContact CG-CE1 4.01Å; Y196-F269 HydrophobicContact CG-CZ 4.32Å; Y196-F293 AromaticContact CD2-CD1 3.53Å; Y196-F293 HydrophobicContact CD2-CD1 3.53Å; Y196-F293 HydrophobicContact CD2-CE1 4.1Å; Y196-F293 HydrophobicContact CD2-CG 4.39Å; Y196-F293 HydrophobicContact CE2-CB 3.91Å; Y196-F293 AromaticContact CE2-CD1 3.4Å; Y196-F293 HydrophobicContact CE2-CD1 3.4Å; Y196-F293 VanDerWaalsContact CE2-CD1 3.4Å; Y196-F293 HydrophobicContact CE2-CE1 4.17Å; Y196-F293 AromaticContact CE2-CG 3.82Å; Y196-F293 HydrophobicContact CE2-CG 3.82Å |
| 197 | K | 92.5 | Very high | 84.5 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.8 | -178.4 | -67 | -173.1 | 170.3 | -70.8 | 0 | 115.2 | C195 C214 P215 F216 Y217 D222 R224 T265 | C195-K197 PolarHBondContact O-N 2.73Å; C195-K197 VanDerWaalsContact O-N 3.15Å; K197-C214 WeakPolarHBondContact CE-O 3.23Å; K197-C214 PolarHBondContact NZ-O 2.91Å; K197-P215 WeakPolarHBondContact CA-O 3.02Å; K197-P215 PolarHBondContact N-O 2.82Å; K197-F216 PolarHBondContact NZ-O 3.34Å; K197-Y217 WeakPolarHBondContact O-CD1 3.49Å; K197-D222 HydrophobicContact CD-CB 4.39Å; K197-D222 IonicContact NZ-OD2 2.66Å; K197-D222 PolarHBondContact NZ-OD2 3.31Å; K197-R224 HydrophobicContact CB-CB 4.31Å; K197-R224 PolarHBondContact O-N 3.03Å; K197-T265 HydrophobicContact CB-CG2 3.97Å; K197-T265 HydrophobicContact CD-CG2 3.87Å; K197-T265 HydrophobicContact CG-CG2 4.41Å |
| 198 | T | 93.7 | Very high | 83.8 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -88.3 | -21.4 | 174.7 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | G194 C195 Y196 R224 A226 | G194-T198 WeakPolarHBondContact O-CG2 3.37Å; C195-T198 PolarHBondContact O-N 2.63Å; C195-T198 PolarHBondContact O-OG1 3.48Å; Y196-T198 PolarHBondContact O-N 3.48Å; T198-R224 WeakPolarHBondContact CA-O 3.29Å; T198-R224 HydrophobicContact CG2-CG 4.41Å; T198-A226 HydrophobicContact CG2-CB 3.62Å | ||
| 199 | E | 92.1 | Very high | 82.3 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -115.8 | 148.8 | 178.2 | -71.7 | -175.7 | -170 | 0 | 0 | 111.9 | F216 Y217 | E199-F216 HydrophobicContact CB-CD1 3.92Å; E199-F216 HydrophobicContact CB-CE1 4.34Å; E199-F216 CarbonylContact O-C 3.02Å; E199-F216 VanDerWaalsContact O-CA 3.32Å; E199-F216 WeakPolarHBondContact O-CA 3.28Å; E199-F216 WeakPolarHBondContact O-CB 3.25Å; E199-Y217 WeakPolarHBondContact O-CD1 3.34Å; E199-Y217 PolarHBondContact O-N 3.45Å |
| 200 | L | 90.6 | Very high | 81.4 | Confident | 97 Ų | 97 | 61 Ų | 61 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 137.1 | 177.8 | -179.7 | 67.1 | 0 | 0 | 0 | 111 | K202 Y217 | L200-K202 PolarHBondContact O-N 3.04Å; L200-Y217 HydrophobicContact CB-CE1 4.16Å; L200-Y217 HydrophobicContact CB-CE2 4.02Å; L200-Y217 HydrophobicContact CD1-CD2 3.87Å; L200-Y217 HydrophobicContact CD1-CE2 3.57Å; L200-Y217 HydrophobicContact CG-CE2 4.38Å; L200-Y217 VanDerWaalsContact N-CE1 3.26Å |
| 201 | C | 89.5 | Confident | 80.2 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | trans | -66.9 | 120.3 | 178.4 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | K203 C214 F216 Y217 H218 | C201-K203 PolarHBondContact O-N 2.95Å; C201-K203 PolarHBondContact SG-O 3.26Å; C201-C214 VanDerWaalsContact SG-SG 3.63Å; C201-F216 HydrophobicContact CB-CB 3.68Å; C201-Y217 VanDerWaalsContact CB-O 3.27Å; C201-Y217 WeakPolarHBondContact CB-O 3.11Å; C201-Y217 PolarHBondContact N-O 3.28Å; C201-H218 WeakPolarHBondContact CB-CD2 3.44Å | ||
| 202 | K | 84.7 | Confident | 78.8 | Confident | 181 Ų | 181 | 66.1 Ų | 66.1 | 79% | 0.787 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -66.7 | -17.9 | 176 | -60.9 | 172 | -173.7 | 169.6 | 0 | 112.7 | L200 | L200-K202 PolarHBondContact O-N 3.04Š|
| 203 | K | 74.8 | Confident | 77.9 | Confident | 80 Ų | 80 | 67.5 Ų | 67.5 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -90.1 | 120.8 | 170.3 | -60.9 | 163.1 | -176.7 | 164.6 | 0 | 106.4 | E182 C201 C208 | E182-K203 IonicContact OE1-NZ 2.7Å; E182-K203 PolarHBondContact OE1-NZ 3.08Å; E182-K203 IonicContact OE2-NZ 3.25Å; C201-K203 PolarHBondContact O-N 2.95Å; C201-K203 PolarHBondContact SG-O 3.26Å; K203-C208 HydrophobicContact CB-CB 4.17Å |
| 204 | P | 67.5 | Low | 77.6 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | trans | -51.6 | 147.1 | -178.8 | -27.7 | 33.5 | 0 | 0 | 0 | 111.9 | R206 M207 C208 | P204-R206 VanDerWaalsContact C-N 3.27Å; P204-R206 PolarHBondContact O-N 3.15Å; P204-R206 VanDerWaalsContact O-N 3.11Å; P204-M207 HydrophobicContact CB-CB 4.36Å; P204-M207 HydrophobicContact CB-CG 4Å; P204-M207 HydrophobicContact CG-CG 4.11Å; P204-M207 CarbonylContact O-C 3.53Å; P204-M207 WeakPolarHBondContact O-CA 3.46Å; P204-M207 WeakPolarHBondContact O-CB 3.43Å; P204-M207 PolarHBondContact O-N 3.36Å; P204-C208 PolarHBondContact O-N 2.78Å | ||
| 205 | P | 64.3 | Low | 77.4 | Confident | 58 Ų | 58 | 67.9 Ų | 67.9 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -50.2 | -44.6 | -174.4 | -31.6 | 36.8 | 0 | 0 | 0 | 113.8 | M207 C208 H218 | P205-M207 PolarHBondContact O-N 3.42Å; P205-C208 PolarHBondContact O-N 2.89Å; P205-H218 HydrophobicContact CB-CB 3.99Å; P205-H218 HydrophobicContact CG-CB 3.91Å; P205-H218 WeakPolarHBondContact CG-O 3.25Å |
| 206 | R | 59.8 | Low | 77.3 | Confident | 167 Ų | 167 | 68 Ų | 68 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -69.4 | -10.5 | 177.9 | -60.4 | -171.9 | -175.4 | -173.6 | 4.7 | 115.2 | R104 P204 | R104-R206 PolarHBondContact NH2-O 2.95Å; P204-R206 VanDerWaalsContact C-N 3.27Å; P204-R206 PolarHBondContact O-N 3.15Å; P204-R206 VanDerWaalsContact O-N 3.11Å |
| 207 | M | 56.9 | Low | 77.2 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -106.5 | -22.5 | 177.1 | -59 | -69.3 | 99.6 | 0 | 0 | 112.8 | Y82 P204 P205 R209 | Y82-M207 HydrophobicContact CD2-CE 3.54Å; Y82-M207 HydrophobicContact CE2-CE 4.22Å; Y82-M207 HydrophobicContact CG-CE 4.36Å; P204-M207 HydrophobicContact CB-CB 4.36Å; P204-M207 HydrophobicContact CB-CG 4Å; P204-M207 HydrophobicContact CG-CG 4.11Å; P204-M207 CarbonylContact O-C 3.53Å; P204-M207 WeakPolarHBondContact O-CA 3.46Å; P204-M207 WeakPolarHBondContact O-CB 3.43Å; P204-M207 PolarHBondContact O-N 3.36Å; P205-M207 PolarHBondContact O-N 3.42Å; M207-R209 PolarHBondContact O-N 3.34Å |
| 208 | C | 70.4 | Confident | 76.9 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | trans | -73.3 | 116.7 | -174.8 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | K203 P204 P205 H218 | K203-C208 HydrophobicContact CB-CB 4.17Å; P204-C208 PolarHBondContact O-N 2.78Å; P205-C208 PolarHBondContact O-N 2.89Å; C208-H218 WeakPolarHBondContact CB-NE2 3.45Å; C208-H218 PolarHBondContact SG-NE2 3.28Å | ||
| 209 | R | 56.9 | Low | 76.5 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -87.6 | -23.2 | -170.2 | -74 | 156.9 | 160.5 | -127.3 | -30.5 | 113.8 | P79 D80 R111 Y117 M207 G211 | P79-R209 PolarHBondContact O-NH2 2.79Å; D80-R209 VanDerWaalsContact CA-NH2 3.27Å; D80-R209 IonicContact OD1-CZ 2.72Å; D80-R209 IonicContact OD1-NH1 3.78Å; D80-R209 PolarHBondContact OD1-NH1 2.66Å; D80-R209 IonicContact OD1-NH2 2.68Å; D80-R209 PolarHBondContact OD1-NH2 3.13Å; D80-R209 IonicContact OD2-CZ 2.83Å; D80-R209 IonicContact OD2-NH1 3.78Å; D80-R209 PolarHBondContact OD2-NH1 3.38Å; D80-R209 IonicContact OD2-NH2 3.8Å; R111-R209 VanDerWaalsContact NE-NH2 3.15Å; Y117-R209 VanDerWaalsContact OH-CZ 3.26Å; Y117-R209 PolarHBondContact OH-NH1 2.74Å; Y117-R209 PolarHBondContact OH-NH2 3.14Å; M207-R209 PolarHBondContact O-N 3.34Å; R209-G211 PolarHBondContact O-N 3.13Å |
| 210 | Q | 69 | Low | 76.1 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -68.5 | -26.4 | 178.2 | -70.8 | 68.7 | 21.9 | 0 | 0 | 111.2 | Y212 S213 C214 | Q210-Y212 PolarHBondContact O-N 3.23Å; Q210-S213 WeakPolarHBondContact O-CA 3.29Å; Q210-S213 WeakPolarHBondContact O-CB 3.31Å; Q210-S213 PolarHBondContact O-N 3.2Å; Q210-C214 HydrophobicContact CB-CB 3.9Å |
| 211 | G | 67 | Low | 75.9 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | 56.7 | -118.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | R209 S213 C214 | R209-G211 PolarHBondContact O-N 3.13Å; G211-S213 VanDerWaalsContact C-N 3.26Å; G211-S213 PolarHBondContact O-N 3.37Å; G211-C214 WeakPolarHBondContact O-CB 3.11Å; G211-C214 PolarHBondContact O-N 3.41Å; G211-C214 VanDerWaalsContact O-N 3.13Å |
| 212 | Y | 62.4 | Low | 75.7 | Confident | 210 Ų | 210 | 69.5 Ų | 69.5 | 82% | 0.824 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -63.6 | -28.1 | 173.8 | -66.6 | -67 | 0 | 0 | 0 | 113.7 | Y196 Q210 C214 | Y196-Y212 PolarHBondContact OH-O 2.8Å; Q210-Y212 PolarHBondContact O-N 3.23Å; Y212-C214 VanDerWaalsContact C-N 3.25Å; Y212-C214 PolarHBondContact O-N 3.21Å |
| 213 | S | 74.3 | Confident | 76 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -87.5 | 12.9 | 174.8 | -50.4 | 0 | 0 | 0 | 0 | 112.7 | Q210 G211 P215 | Q210-S213 WeakPolarHBondContact O-CA 3.29Å; Q210-S213 WeakPolarHBondContact O-CB 3.31Å; Q210-S213 PolarHBondContact O-N 3.2Å; G211-S213 VanDerWaalsContact C-N 3.26Å; G211-S213 PolarHBondContact O-N 3.37Å; S213-P215 WeakPolarHBondContact O-CD 3.43Å |
| 214 | C | 86.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | trans | -74.4 | 125 | 173.1 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | Y196 K197 C201 Q210 G211 Y212 F216 H218 | Y196-C214 WeakPolarHBondContact CE2-O 3.37Å; K197-C214 WeakPolarHBondContact CE-O 3.23Å; K197-C214 PolarHBondContact NZ-O 2.91Å; C201-C214 VanDerWaalsContact SG-SG 3.63Å; Q210-C214 HydrophobicContact CB-CB 3.9Å; G211-C214 WeakPolarHBondContact O-CB 3.11Å; G211-C214 PolarHBondContact O-N 3.41Å; G211-C214 VanDerWaalsContact O-N 3.13Å; Y212-C214 VanDerWaalsContact C-N 3.25Å; Y212-C214 PolarHBondContact O-N 3.21Å; C214-F216 PolarHBondContact O-N 3.31Å; C214-F216 VanDerWaalsContact O-N 3.11Å; C214-F216 PolarHBondContact SG-O 3.38Å; C214-H218 VanDerWaalsContact CB-CE1 3.47Å; C214-H218 WeakPolarHBondContact CB-CE1 3.19Å | ||
| 215 | P | 88.4 | Confident | 78.2 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -64.8 | -13.1 | 176.2 | -18.4 | 30.7 | 0 | 0 | 0 | 114.2 | W186 K197 S213 F293 | W186-P215 HydrophobicContact CD2-CB 3.9Å; W186-P215 HydrophobicContact CD2-CG 4.19Å; W186-P215 HydrophobicContact CE3-CB 4.03Å; W186-P215 HydrophobicContact CH2-CB 3.56Å; W186-P215 HydrophobicContact CZ2-CB 3.42Å; W186-P215 VanDerWaalsContact CZ2-CB 3.42Å; W186-P215 HydrophobicContact CZ2-CG 4.38Å; W186-P215 HydrophobicContact CZ3-CB 3.88Å; K197-P215 WeakPolarHBondContact CA-O 3.02Å; K197-P215 PolarHBondContact N-O 2.82Å; S213-P215 WeakPolarHBondContact O-CD 3.43Å; P215-F293 HydrophobicContact CB-CE1 4.3Å; P215-F293 HydrophobicContact CG-CE1 4.02Å; P215-F293 HydrophobicContact CG-CZ 3.82Å |
| 216 | F | 90.3 | Very high | 79.5 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -109.4 | 155.6 | -176.8 | -54.5 | -72.2 | 0 | 0 | 0 | 110.9 | K197 E199 C201 C214 | K197-F216 PolarHBondContact NZ-O 3.34Å; E199-F216 HydrophobicContact CB-CD1 3.92Å; E199-F216 HydrophobicContact CB-CE1 4.34Å; E199-F216 CarbonylContact O-C 3.02Å; E199-F216 VanDerWaalsContact O-CA 3.32Å; E199-F216 WeakPolarHBondContact O-CA 3.28Å; E199-F216 WeakPolarHBondContact O-CB 3.25Å; C201-F216 HydrophobicContact CB-CB 3.68Å; C214-F216 PolarHBondContact O-N 3.31Å; C214-F216 VanDerWaalsContact O-N 3.11Å; C214-F216 PolarHBondContact SG-O 3.38Å |
| 217 | Y | 90.9 | Very high | 80.9 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -83.9 | 158.4 | 175 | 75.1 | -99.5 | 0 | 0 | 0 | 111.8 | K197 E199 L200 C201 N219 D222 K223 | K197-Y217 WeakPolarHBondContact O-CD1 3.49Å; E199-Y217 WeakPolarHBondContact O-CD1 3.34Å; E199-Y217 PolarHBondContact O-N 3.45Å; L200-Y217 HydrophobicContact CB-CE1 4.16Å; L200-Y217 HydrophobicContact CB-CE2 4.02Å; L200-Y217 HydrophobicContact CD1-CD2 3.87Å; L200-Y217 HydrophobicContact CD1-CE2 3.57Å; L200-Y217 HydrophobicContact CG-CE2 4.38Å; L200-Y217 VanDerWaalsContact N-CE1 3.26Å; C201-Y217 VanDerWaalsContact CB-O 3.27Å; C201-Y217 WeakPolarHBondContact CB-O 3.11Å; C201-Y217 PolarHBondContact N-O 3.28Å; Y217-N219 WeakPolarHBondContact CD2-O 3.45Å; Y217-D222 WeakPolarHBondContact CA-OD2 3.41Å; Y217-K223 HydrophobicContact CD1-CB 4.34Å; Y217-K223 HydrophobicContact CD1-CG 4.16Å; Y217-K223 HydrophobicContact CD2-CB 4.09Å; Y217-K223 HydrophobicContact CE1-CG 4.02Å; Y217-K223 HydrophobicContact CE2-CB 4.34Å; Y217-K223 HydrophobicContact CE2-CG 4.4Å; Y217-K223 HydrophobicContact CG-CB 4.11Å; Y217-K223 HydrophobicContact CG-CG 4.42Å |
| 218 | H | 86.3 | Confident | 82.4 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | trans | -117.9 | -27.9 | -178.6 | -64.6 | 121.5 | 0 | 0 | 0 | 113 | C201 P205 C208 C214 D222 | C201-H218 WeakPolarHBondContact CB-CD2 3.44Å; P205-H218 HydrophobicContact CB-CB 3.99Å; P205-H218 HydrophobicContact CG-CB 3.91Å; P205-H218 WeakPolarHBondContact CG-O 3.25Å; C208-H218 WeakPolarHBondContact CB-NE2 3.45Å; C208-H218 PolarHBondContact SG-NE2 3.28Å; C214-H218 VanDerWaalsContact CB-CE1 3.47Å; C214-H218 WeakPolarHBondContact CB-CE1 3.19Å; H218-D222 PolarHBondContact N-OD1 2.69Å; H218-D222 PolarHBondContact N-OD2 2.8Å; H218-D222 IonicContact ND1-OD2 3.72Å | ||
| 219 | N | 84 | Confident | 83.3 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -148.3 | -179.1 | -178.9 | 64 | 51.4 | 0 | 0 | 0 | 111 | Y217 K221 D222 K223 D803 | Y217-N219 WeakPolarHBondContact CD2-O 3.45Å; N219-K221 VanDerWaalsContact C-N 3.33Å; N219-K221 PolarHBondContact O-N 3.38Å; N219-K221 WeakPolarHBondContact OD1-CA 3.4Å; N219-K221 WeakPolarHBondContact OD1-CB 3.18Å; N219-K221 PolarHBondContact OD1-N 3.42Å; N219-D222 PolarHBondContact N-OD1 2.84Å; N219-D222 PolarHBondContact OD1-N 3.24Å; N219-D222 VanDerWaalsContact OD1-N 3.08Å; N219-D222 PolarHBondContact OD1-OD1 3.08Å; N219-K223 PolarHBondContact O-N 3.14Å; N219-K223 VanDerWaalsContact O-N 3.16Å; N219-D803 PolarHBondContact ND2-OD2 2.98Å |
| 220 | G | 85 | Confident | 85 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D222 K223 | G220-D222 VanDerWaalsContact C-N 3.34Å; G220-D222 PolarHBondContact O-N 3.25Å; G220-K223 WeakPolarHBondContact O-CB 3.47Å; G220-K223 PolarHBondContact O-N 2.97Å |
| 221 | K | 84.8 | Confident | 86 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 48% | 0.478 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.4 | -176.4 | -58.6 | -163.6 | 175.7 | -157.4 | 0 | 114 | N219 T263 | N219-K221 VanDerWaalsContact C-N 3.33Å; N219-K221 PolarHBondContact O-N 3.38Å; N219-K221 WeakPolarHBondContact OD1-CA 3.4Å; N219-K221 WeakPolarHBondContact OD1-CB 3.18Å; N219-K221 PolarHBondContact OD1-N 3.42Å; K221-T263 WeakPolarHBondContact O-CB 3.36Å; K221-T263 WeakPolarHBondContact O-CG2 3.35Å |
| 222 | D | 87.1 | Confident | 87.4 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -3.6 | 171.9 | 88.2 | -44.2 | 0 | 0 | 0 | 115.1 | K197 Y217 H218 N219 G220 T265 | K197-D222 HydrophobicContact CD-CB 4.39Å; K197-D222 IonicContact NZ-OD2 2.66Å; K197-D222 PolarHBondContact NZ-OD2 3.31Å; Y217-D222 WeakPolarHBondContact CA-OD2 3.41Å; H218-D222 PolarHBondContact N-OD1 2.69Å; H218-D222 PolarHBondContact N-OD2 2.8Å; H218-D222 IonicContact ND1-OD2 3.72Å; N219-D222 PolarHBondContact N-OD1 2.84Å; N219-D222 PolarHBondContact OD1-N 3.24Å; N219-D222 VanDerWaalsContact OD1-N 3.08Å; N219-D222 PolarHBondContact OD1-OD1 3.08Å; G220-D222 VanDerWaalsContact C-N 3.34Å; G220-D222 PolarHBondContact O-N 3.25Å; D222-T265 PolarHBondContact O-OG1 3.27Å |
| 223 | K | 90.7 | Very high | 88.9 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | trans | -53.1 | 140.6 | 166.4 | -173.7 | -164.9 | 175.9 | -164.3 | 0 | 110 | Y217 N219 G220 D256 T263 | Y217-K223 HydrophobicContact CD1-CB 4.34Å; Y217-K223 HydrophobicContact CD1-CG 4.16Å; Y217-K223 HydrophobicContact CD2-CB 4.09Å; Y217-K223 HydrophobicContact CE1-CG 4.02Å; Y217-K223 HydrophobicContact CE2-CB 4.34Å; Y217-K223 HydrophobicContact CE2-CG 4.4Å; Y217-K223 HydrophobicContact CG-CB 4.11Å; Y217-K223 HydrophobicContact CG-CG 4.42Å; N219-K223 PolarHBondContact O-N 3.14Å; N219-K223 VanDerWaalsContact O-N 3.16Å; G220-K223 WeakPolarHBondContact O-CB 3.47Å; G220-K223 PolarHBondContact O-N 2.97Å; K223-D256 IonicContact NZ-OD1 2.79Å; K223-D256 PolarHBondContact NZ-OD1 2.81Å; K223-D256 IonicContact NZ-OD2 3.58Å; K223-D256 PolarHBondContact NZ-OD2 3.29Å; K223-T263 WeakPolarHBondContact O-CG2 3.31Å; K223-T263 PolarHBondContact O-OG1 3.36Å | ||
| 224 | R | 93.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | trans | -126.7 | 127.4 | 167.6 | 164.4 | 158.1 | -179.4 | -85 | 2.7 | 109.8 | L193 G194 Y196 K197 T198 Y232 T265 E266 F269 | L193-R224 VanDerWaalsContact O-CZ 3.24Å; L193-R224 PolarHBondContact O-NH1 2.87Å; L193-R224 PolarHBondContact O-NH2 2.8Å; G194-R224 PolarHBondContact O-NH1 3.18Å; Y196-R224 PolarHBondContact O-NH1 3.34Å; K197-R224 HydrophobicContact CB-CB 4.31Å; K197-R224 PolarHBondContact O-N 3.03Å; T198-R224 WeakPolarHBondContact CA-O 3.29Å; T198-R224 HydrophobicContact CG2-CG 4.41Å; R224-Y232 PolarHBondContact NE-OH 3.5Å; R224-T265 HydrophobicContact CB-CG2 3.97Å; R224-E266 HydrophobicContact CB-CG 4.05Å; R224-E266 HydrophobicContact CG-CG 3.92Å; R224-F269 PolarHBondContact NE-O 2.82Å; R224-F269 PolarHBondContact NH2-O 3.43Å | ||
| 225 | R | 94.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | trans | -66.1 | 135.3 | 168.2 | -69.2 | 169.6 | -62.5 | 156.8 | -0.4 | 109.6 | F230 Y232 D256 C258 Y260 E266 | R225-F230 HydrophobicContact CB-CB 3.97Å; R225-F230 HydrophobicContact CB-CD2 3.81Å; R225-F230 HydrophobicContact CB-CG 4.03Å; R225-F230 HydrophobicContact CG-CD2 4.29Å; R225-F230 HydrophobicContact CG-CG 4.43Å; R225-Y232 HydrophobicContact CB-CD1 4.45Å; R225-Y232 HydrophobicContact CB-CE1 3.92Å; R225-Y232 WeakPolarHBondContact O-CE1 3.38Å; R225-Y232 PolarHBondContact O-OH 2.97Å; R225-D256 WeakPolarHBondContact CD-O 3.41Å; R225-D256 VanDerWaalsContact CD-OD1 3.24Å; R225-D256 WeakPolarHBondContact CD-OD1 3.41Å; R225-D256 HydrophobicContact CG-CB 4.47Å; R225-D256 WeakPolarHBondContact CG-OD1 3.19Å; R225-D256 PolarHBondContact NH1-O 2.72Å; R225-C258 PolarHBondContact NH1-O 2.81Å; R225-Y260 PolarHBondContact NH2-O 3.47Å; R225-E266 VanDerWaalsContact CB-OE1 3.29Å; R225-E266 WeakPolarHBondContact CB-OE1 3.03Å; R225-E266 VanDerWaalsContact CG-OE1 3.28Å; R225-E266 WeakPolarHBondContact CG-OE1 3.3Å; R225-E266 IonicContact CZ-OE1 2.68Å; R225-E266 IonicContact CZ-OE2 3.67Å; R225-E266 PolarHBondContact N-OE1 3.08Å; R225-E266 IonicContact NE-OE1 2.71Å; R225-E266 PolarHBondContact NE-OE1 2.77Å; R225-E266 IonicContact NE-OE2 2.71Å; R225-E266 PolarHBondContact NE-OE2 3.25Å; R225-E266 IonicContact NH2-OE1 2.67Å; R225-E266 IonicContact NH2-OE2 3.72Å; R225-E266 PolarHBondContact NH2-OE2 3.48Å | ||
| 226 | A | 92.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -72.9 | 126.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110 | T198 D228 K229 F230 | T198-A226 HydrophobicContact CG2-CB 3.62Å; A226-D228 VanDerWaalsContact C-OD1 3.32Å; A226-D228 WeakPolarHBondContact CB-OD1 3.47Å; A226-D228 PolarHBondContact O-N 3.42Å; A226-K229 PolarHBondContact O-N 3.31Å; A226-F230 PolarHBondContact O-N 3.23Å | ||
| 227 | P | 89 | Confident | 90.7 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 7% | 0.065 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.3 | -169.6 | 33.3 | -39.3 | 0 | 0 | 0 | 113.5 | G194 K229 F309 | G194-P227 WeakPolarHBondContact O-CD 3.46Å; P227-K229 VanDerWaalsContact C-N 3.34Å; P227-F309 HydrophobicContact CB-CE1 4.19Å; P227-F309 HydrophobicContact CG-CE1 3.91Å; P227-F309 HydrophobicContact CG-CZ 4.08Å |
| 228 | D | 87 | Confident | 90.8 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -21.6 | 170.3 | 64.4 | -38.2 | 0 | 0 | 0 | 112.8 | A226 | A226-D228 VanDerWaalsContact C-OD1 3.32Å; A226-D228 WeakPolarHBondContact CB-OD1 3.47Å; A226-D228 PolarHBondContact O-N 3.42Å |
| 229 | K | 90.9 | Very high | 91.1 | Very high | 142 Ų | 142 | 57.7 Ų | 57.7 | 62% | 0.617 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -29 | -175.5 | -66.8 | 173.4 | -172.8 | 78.3 | 0 | 113.5 | A226 P227 | A226-K229 PolarHBondContact O-N 3.31Å; P227-K229 VanDerWaalsContact C-N 3.34Å |
| 230 | F | 91.4 | Very high | 91.4 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 31% | 0.311 | 29% | 0.285 | S | S | . | . | trans | -129.4 | 107.2 | -175.3 | -56.7 | -82.2 | 0 | 0 | 0 | 109.5 | R225 A226 Y232 D256 | R225-F230 HydrophobicContact CB-CB 3.97Å; R225-F230 HydrophobicContact CB-CD2 3.81Å; R225-F230 HydrophobicContact CB-CG 4.03Å; R225-F230 HydrophobicContact CG-CD2 4.29Å; R225-F230 HydrophobicContact CG-CG 4.43Å; A226-F230 PolarHBondContact O-N 3.23Å; F230-Y232 HydrophobicContact CB-CD1 4.28Å; F230-Y232 WeakPolarHBondContact O-CD1 3.13Å; F230-Y232 WeakPolarHBondContact O-CE1 3.12Å; F230-Y232 PolarHBondContact O-N 3.45Å; F230-D256 HydrophobicContact CD1-CB 4.19Å; F230-D256 VanDerWaalsContact CD1-O 3.31Å; F230-D256 WeakPolarHBondContact CD1-O 3.34Å; F230-D256 HydrophobicContact CE1-CB 3.73Å; F230-D256 HydrophobicContact CZ-CB 4.15Å | ||
| 231 | L | 91.3 | Very high | 91.7 | Very high | 133 Ų | 133 | 55.5 Ų | 55.5 | 70% | 0.696 | 28% | 0.275 | S | S | * | . | trans | -81.1 | 109.5 | 171 | -73.4 | 86.9 | 0 | 0 | 0 | 109.3 | ||||
| 232 | Y | 94.7 | Very high | 91.7 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 7% | 0.071 | 28% | 0.284 | C | S | . | . | trans | -115.5 | 171.1 | 167.9 | 47.5 | -85.6 | 0 | 0 | 0 | 109.9 | R224 R225 F230 V259 C261 E266 H270 | R224-Y232 PolarHBondContact NE-OH 3.5Å; R225-Y232 HydrophobicContact CB-CD1 4.45Å; R225-Y232 HydrophobicContact CB-CE1 3.92Å; R225-Y232 WeakPolarHBondContact O-CE1 3.38Å; R225-Y232 PolarHBondContact O-OH 2.97Å; F230-Y232 HydrophobicContact CB-CD1 4.28Å; F230-Y232 WeakPolarHBondContact O-CD1 3.13Å; F230-Y232 WeakPolarHBondContact O-CE1 3.12Å; F230-Y232 PolarHBondContact O-N 3.45Å; Y232-V259 CarbonylContact C-O 3.5Å; Y232-C261 VanDerWaalsContact CD2-SG 3.59Å; Y232-E266 HydrophobicContact CD2-CB 4.49Å; Y232-E266 HydrophobicContact CE2-CB 3.74Å; Y232-E266 HydrophobicContact CE2-CG 4.08Å; Y232-H270 AromaticContact CD2-CD2 3.61Å; Y232-H270 AromaticContact CE2-CD2 3.64Å; Y232-H270 PolarHBondContact O-NE2 2.85Å | ||
| 233 | R | 94.4 | Very high | 91.6 | Very high | 149 Ų | 149 | 56.2 Ų | 56.2 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 154.4 | 171.8 | -64.9 | 179.6 | 175.5 | -80 | 1 | 110.6 | T235 V259 Y260 C261 | R233-T235 WeakPolarHBondContact CB-OG1 3.43Å; R233-T235 PolarHBondContact O-N 2.96Å; R233-T235 VanDerWaalsContact O-N 3.12Å; R233-V259 WeakPolarHBondContact CB-O 3.38Å; R233-V259 PolarHBondContact N-O 3.07Å; R233-Y260 HydrophobicContact CB-CD1 4.4Å; R233-C261 PolarHBondContact O-N 3.11Å; R233-C261 PolarHBondContact O-SG 3.13Å |
| 234 | S | 94.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 60 Ų | 60 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | -18.1 | 173.7 | 46.1 | 0 | 0 | 0 | 0 | 115.5 | Q267 H270 E272 | S234-Q267 PolarHBondContact O-NE2 3.42Å; S234-H270 PolarHBondContact N-CE1 3.14Å; S234-H270 PolarHBondContact N-NE2 2.66Å; S234-E272 WeakPolarHBondContact CB-OE2 3.2Å; S234-E272 PolarHBondContact OG-OE2 2.97Å |
| 235 | T | 94.8 | Very high | 91 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133 | 174.3 | 48 | 0 | 0 | 0 | 0 | 111.4 | R233 Y260 C261 | R233-T235 WeakPolarHBondContact CB-OG1 3.43Å; R233-T235 PolarHBondContact O-N 2.96Å; R233-T235 VanDerWaalsContact O-N 3.12Å; T235-Y260 WeakPolarHBondContact O-CB 3.17Å; T235-Y260 WeakPolarHBondContact OG1-CD1 3.46Å; T235-C261 PolarHBondContact O-N 2.97Å |
| 236 | P | 94 | Very high | 90.7 | Very high | 36 Ų | 36 | 67.4 Ų | 67.4 | 23% | 0.234 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 151 | 175.2 | -21.5 | 34.8 | 0 | 0 | 0 | 113.1 | R241 W246 C261 | P236-R241 HydrophobicContact CB-CB 3.98Å; P236-R241 HydrophobicContact CB-CG 4.46Å; P236-W246 HydrophobicContact CB-CH2 3.77Å; P236-W246 HydrophobicContact CB-CZ2 4.31Å; P236-W246 HydrophobicContact CB-CZ3 4.19Å; P236-W246 HydrophobicContact CG-CH2 3.87Å; P236-W246 HydrophobicContact CG-CZ2 4.08Å; P236-C261 CarbonylContact C-O 3.56Å; P236-C261 WeakPolarHBondContact CA-O 3.29Å |
| 237 | C | 95.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 126.3 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | I239 V240 R241 C252 C261 H262 | C237-I239 PolarHBondContact O-N 3.21Å; C237-V240 HydrophobicContact CB-CB 4.27Å; C237-V240 HydrophobicContact CB-CG2 4.13Å; C237-V240 PolarHBondContact O-N 3.46Å; C237-R241 PolarHBondContact O-N 3.39Å; C237-C252 VanDerWaalsContact SG-SG 3.63Å; C237-C261 PolarHBondContact N-O 2.77Å; C237-H262 VanDerWaalsContact CB-CD2 3.47Å; C237-H262 WeakPolarHBondContact CB-CD2 3.37Å |
| 238 | P | 92.2 | Very high | 90.4 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.8 | -176.9 | 26.6 | -34.8 | 0 | 0 | 0 | 113.4 | R241 P242 | P238-R241 CarbonylContact O-C 3.46Å; P238-P242 VanDerWaalsContact O-CA 3.24Å; P238-P242 WeakPolarHBondContact O-CA 3.26Å |
| 239 | I | 91.5 | Very high | 90.4 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 45% | 0.446 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -44.6 | 176.6 | -56.7 | 172.4 | 0 | 0 | 0 | 110.7 | C237 R241 L251 | C237-I239 PolarHBondContact O-N 3.21Å; I239-R241 VanDerWaalsContact C-N 3.35Å; I239-L251 WeakPolarHBondContact CG2-O 3.23Å |
| 240 | V | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -22.4 | 179.7 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | C237 Q247 C252 H262 | C237-V240 HydrophobicContact CB-CB 4.27Å; C237-V240 HydrophobicContact CB-CG2 4.13Å; C237-V240 PolarHBondContact O-N 3.46Å; V240-Q247 WeakPolarHBondContact O-CB 2.97Å; V240-Q247 PolarHBondContact O-N 3.4Å; V240-C252 HydrophobicContact CG2-CB 3.74Å; V240-H262 VanDerWaalsContact CG1-O 3.32Å; V240-H262 WeakPolarHBondContact CG1-O 3.39Å |
| 241 | R | 91.1 | Very high | 90 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | trans | -138.2 | 73.3 | 179.6 | -158.9 | -152.3 | 170.4 | 153 | 4.4 | 111.3 | P236 C237 P238 I239 G243 D244 E245 W246 | P236-R241 HydrophobicContact CB-CB 3.98Å; P236-R241 HydrophobicContact CB-CG 4.46Å; C237-R241 PolarHBondContact O-N 3.39Å; P238-R241 CarbonylContact O-C 3.46Å; I239-R241 VanDerWaalsContact C-N 3.35Å; R241-G243 WeakPolarHBondContact CD-O 3.49Å; R241-G243 WeakPolarHBondContact CG-O 2.97Å; R241-G243 PolarHBondContact NE-O 3.47Å; R241-G243 PolarHBondContact O-N 2.72Å; R241-D244 IonicContact CZ-OD1 3.6Å; R241-D244 PolarHBondContact NE-O 2.92Å; R241-D244 PolarHBondContact NH2-O 3.03Å; R241-D244 IonicContact NH2-OD1 2.76Å; R241-D244 PolarHBondContact NH2-OD1 2.8Å; R241-E245 WeakPolarHBondContact CG-O 2.71Å; R241-W246 HydrophobicContact CB-CD2 4.43Å; R241-W246 HydrophobicContact CB-CE3 4.29Å; R241-W246 HydrophobicContact CG-CD2 4.08Å; R241-W246 HydrophobicContact CG-CE3 4.44Å; R241-W246 HydrophobicContact CG-CG 4.27Å | ||
| 242 | P | 85.6 | Confident | 90.1 | Very high | 104 Ų | 104 | 62.3 Ų | 62.3 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -73 | -4.1 | -179.1 | 30.2 | -36.3 | 0 | 0 | 0 | 114.3 | P238 | P238-P242 VanDerWaalsContact O-CA 3.24Å; P238-P242 WeakPolarHBondContact O-CA 3.26Å |
| 243 | G | 85 | Confident | 89.9 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 46% | 0.464 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -156.5 | -134.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | R241 | R241-G243 WeakPolarHBondContact CD-O 3.49Å; R241-G243 WeakPolarHBondContact CG-O 2.97Å; R241-G243 PolarHBondContact NE-O 3.47Å; R241-G243 PolarHBondContact O-N 2.72Å |
| 244 | D | 82.6 | Confident | 89.8 | Confident | 135 Ų | 135 | 65.8 Ų | 65.8 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -86.9 | -19.9 | 176.6 | -90.2 | -52.6 | 0 | 0 | 0 | 115.2 | R241 | R241-D244 IonicContact CZ-OD1 3.6Å; R241-D244 PolarHBondContact NE-O 2.92Å; R241-D244 PolarHBondContact NH2-O 3.03Å; R241-D244 IonicContact NH2-OD1 2.76Å; R241-D244 PolarHBondContact NH2-OD1 2.8Å |
| 245 | E | 88 | Confident | 89.6 | Confident | 132 Ų | 132 | 66 Ų | 66 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -81.3 | 144.1 | 176.2 | -173.1 | 169.5 | -141.2 | 0 | 0 | 112.7 | R241 Q247 | R241-E245 WeakPolarHBondContact CG-O 2.71Å; E245-Q247 PolarHBondContact OE2-NE2 2.84Å |
| 246 | W | 88.3 | Confident | 89.5 | Confident | 31 Ų | 31 | 66.1 Ų | 66.1 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | trans | -100.5 | 115.2 | 174.7 | -67.5 | 76.9 | 0 | 0 | 0 | 110.3 | P236 R241 C261 T263 R264 Q267 | P236-W246 HydrophobicContact CB-CH2 3.77Å; P236-W246 HydrophobicContact CB-CZ2 4.31Å; P236-W246 HydrophobicContact CB-CZ3 4.19Å; P236-W246 HydrophobicContact CG-CH2 3.87Å; P236-W246 HydrophobicContact CG-CZ2 4.08Å; R241-W246 HydrophobicContact CB-CD2 4.43Å; R241-W246 HydrophobicContact CB-CE3 4.29Å; R241-W246 HydrophobicContact CG-CD2 4.08Å; R241-W246 HydrophobicContact CG-CE3 4.44Å; R241-W246 HydrophobicContact CG-CG 4.27Å; W246-C261 HydrophobicContact CH2-CB 4.34Å; W246-T263 WeakPolarHBondContact CH2-O 3.36Å; W246-T263 WeakPolarHBondContact CZ3-O 3.49Å; W246-R264 HydrophobicContact CD2-CB 4.4Å; W246-R264 HydrophobicContact CZ2-CB 4.23Å; W246-Q267 HydrophobicContact CH2-CB 4.21Å; W246-Q267 HydrophobicContact CZ2-CB 4.43Å | ||
| 247 | Q | 88.6 | Confident | 89.4 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | trans | -84.3 | -172.5 | 174.5 | -57.7 | -57.5 | -17.3 | 0 | 0 | 111.3 | V240 E245 L251 | V240-Q247 WeakPolarHBondContact O-CB 2.97Å; V240-Q247 PolarHBondContact O-N 3.4Å; E245-Q247 PolarHBondContact OE2-NE2 2.84Å; Q247-L251 HydrophobicContact CB-CD1 3.67Å | ||
| 248 | D | 86.9 | Confident | 89.4 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | trans | -75.6 | 140.9 | 177.7 | -168.9 | 20.3 | 0 | 0 | 0 | 111.7 | T250 L251 | D248-T250 VanDerWaalsContact CG-OG1 3.23Å; D248-T250 PolarHBondContact O-N 3.16Å; D248-T250 WeakPolarHBondContact OD2-CB 3.34Å; D248-T250 VanDerWaalsContact OD2-CG2 3.23Å; D248-T250 WeakPolarHBondContact OD2-CG2 3.43Å; D248-T250 PolarHBondContact OD2-OG1 2.99Å; D248-L251 WeakPolarHBondContact O-CB 3.37Å; D248-L251 WeakPolarHBondContact O-CG 3.39Å; D248-L251 PolarHBondContact O-N 3.28Å | ||
| 249 | S | 86.6 | Confident | 89.5 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -67.9 | -17.1 | -178.5 | -50.5 | 0 | 0 | 0 | 0 | 113 | L251 H262 | S249-L251 PolarHBondContact O-N 2.8Å; S249-H262 PolarHBondContact OG-O 2.89Å |
| 250 | T | 87.2 | Confident | 89.7 | Confident | 107 Ų | 107 | 68.5 Ų | 68.5 | 66% | 0.656 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -66.7 | -20.7 | 174.3 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | D248 C252 | D248-T250 VanDerWaalsContact CG-OG1 3.23Å; D248-T250 PolarHBondContact O-N 3.16Å; D248-T250 WeakPolarHBondContact OD2-CB 3.34Å; D248-T250 VanDerWaalsContact OD2-CG2 3.23Å; D248-T250 WeakPolarHBondContact OD2-CG2 3.43Å; D248-T250 PolarHBondContact OD2-OG1 2.99Å; T250-C252 PolarHBondContact O-N 3.15Å |
| 251 | L | 87.8 | Confident | 89.9 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -73.9 | -7.5 | -179 | -61.1 | 174.6 | 0 | 0 | 0 | 113.9 | I239 Q247 D248 S249 | I239-L251 WeakPolarHBondContact CG2-O 3.23Å; Q247-L251 HydrophobicContact CB-CD1 3.67Å; D248-L251 WeakPolarHBondContact O-CB 3.37Å; D248-L251 WeakPolarHBondContact O-CG 3.39Å; D248-L251 PolarHBondContact O-N 3.28Å; S249-L251 PolarHBondContact O-N 2.8Å |
| 252 | C | 91.8 | Very high | 90.1 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | trans | -98.4 | 114.2 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | C237 V240 T250 T254 G255 | C237-C252 VanDerWaalsContact SG-SG 3.63Å; V240-C252 HydrophobicContact CG2-CB 3.74Å; T250-C252 PolarHBondContact O-N 3.15Å; C252-T254 PolarHBondContact O-N 2.79Å; C252-T254 PolarHBondContact SG-OG1 3.32Å; C252-G255 PolarHBondContact O-N 3.23Å | ||
| 253 | D | 92 | Very high | 90.5 | Very high | 160 Ų | 160 | 62 Ų | 62 | 86% | 0.856 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -24.1 | -177.2 | -52.6 | -59 | 0 | 0 | 0 | 114.1 | G255 | D253-G255 VanDerWaalsContact C-N 3.25Å; D253-G255 PolarHBondContact O-N 3.11Å |
| 254 | T | 92.1 | Very high | 90.9 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.4 | 175.8 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | C252 A257 C258 | C252-T254 PolarHBondContact O-N 2.79Å; C252-T254 PolarHBondContact SG-OG1 3.32Å; T254-A257 WeakPolarHBondContact O-CB 3.32Å; T254-A257 PolarHBondContact O-N 3.3Å; T254-A257 VanDerWaalsContact O-N 3.08Å; T254-C258 WeakPolarHBondContact OG1-CA 3.15Å; T254-C258 WeakPolarHBondContact OG1-CB 3.38Å |
| 255 | G | 90.3 | Very high | 91.3 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 54.9 | -138 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C252 D253 A257 C258 H262 | C252-G255 PolarHBondContact O-N 3.23Å; D253-G255 VanDerWaalsContact C-N 3.25Å; D253-G255 PolarHBondContact O-N 3.11Å; G255-A257 PolarHBondContact O-N 2.88Å; G255-C258 WeakPolarHBondContact O-CB 3.27Å; G255-C258 PolarHBondContact O-N 2.79Å; G255-H262 PolarHBondContact O-CE1 2.96Å |
| 256 | D | 91.1 | Very high | 91.7 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -66.5 | -15.3 | 178.6 | -78.1 | -23.8 | 0 | 0 | 0 | 113 | K223 R225 F230 C258 | K223-D256 IonicContact NZ-OD1 2.79Å; K223-D256 PolarHBondContact NZ-OD1 2.81Å; K223-D256 IonicContact NZ-OD2 3.58Å; K223-D256 PolarHBondContact NZ-OD2 3.29Å; R225-D256 WeakPolarHBondContact CD-O 3.41Å; R225-D256 VanDerWaalsContact CD-OD1 3.24Å; R225-D256 WeakPolarHBondContact CD-OD1 3.41Å; R225-D256 HydrophobicContact CG-CB 4.47Å; R225-D256 WeakPolarHBondContact CG-OD1 3.19Å; R225-D256 PolarHBondContact NH1-O 2.72Å; F230-D256 HydrophobicContact CD1-CB 4.19Å; F230-D256 VanDerWaalsContact CD1-O 3.31Å; F230-D256 WeakPolarHBondContact CD1-O 3.34Å; F230-D256 HydrophobicContact CE1-CB 3.73Å; F230-D256 HydrophobicContact CZ-CB 4.15Å; D256-C258 VanDerWaalsContact C-N 3.32Å; D256-C258 PolarHBondContact O-N 3.32Å |
| 257 | A | 92.2 | Very high | 92 | Very high | 84 Ų | 84 | 55.2 Ų | 55.2 | 69% | 0.694 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -83.4 | 3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T254 G255 V259 | T254-A257 WeakPolarHBondContact O-CB 3.32Å; T254-A257 PolarHBondContact O-N 3.3Å; T254-A257 VanDerWaalsContact O-N 3.08Å; G255-A257 PolarHBondContact O-N 2.88Å; A257-V259 PolarHBondContact O-N 3.08Å |
| 258 | C | 95.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | trans | -63.7 | 129.1 | 176.3 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | R225 T254 G255 D256 Y260 H262 | R225-C258 PolarHBondContact NH1-O 2.81Å; T254-C258 WeakPolarHBondContact OG1-CA 3.15Å; T254-C258 WeakPolarHBondContact OG1-CB 3.38Å; G255-C258 WeakPolarHBondContact O-CB 3.27Å; G255-C258 PolarHBondContact O-N 2.79Å; D256-C258 VanDerWaalsContact C-N 3.32Å; D256-C258 PolarHBondContact O-N 3.32Å; C258-Y260 PolarHBondContact O-N 3.47Å; C258-H262 VanDerWaalsContact CB-CE1 3.4Å; C258-H262 WeakPolarHBondContact CB-CE1 3.32Å; C258-H262 WeakPolarHBondContact CB-NE2 3.46Å; C258-H262 PolarHBondContact SG-NE2 3.2Å | ||
| 259 | V | 95.1 | Very high | 92.6 | Very high | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -75.9 | 13.4 | 178.2 | -60 | 0 | 0 | 0 | 0 | 114.4 | Y232 R233 A257 | Y232-V259 CarbonylContact C-O 3.5Å; R233-V259 WeakPolarHBondContact CB-O 3.38Å; R233-V259 PolarHBondContact N-O 3.07Å; A257-V259 PolarHBondContact O-N 3.08Å |
| 260 | Y | 95.5 | Very high | 93 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 155.3 | -175.2 | -57.9 | -59.4 | 0 | 0 | 0 | 111.6 | R225 R233 T235 C258 H262 | R225-Y260 PolarHBondContact NH2-O 3.47Å; R233-Y260 HydrophobicContact CB-CD1 4.4Å; T235-Y260 WeakPolarHBondContact O-CB 3.17Å; T235-Y260 WeakPolarHBondContact OG1-CD1 3.46Å; C258-Y260 PolarHBondContact O-N 3.47Å; Y260-H262 PolarHBondContact O-N 3.22Å |
| 261 | C | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 130.8 | 179.1 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | Y232 R233 T235 P236 C237 W246 E266 Q267 | Y232-C261 VanDerWaalsContact CD2-SG 3.59Å; R233-C261 PolarHBondContact O-N 3.11Å; R233-C261 PolarHBondContact O-SG 3.13Å; T235-C261 PolarHBondContact O-N 2.97Å; P236-C261 CarbonylContact C-O 3.56Å; P236-C261 WeakPolarHBondContact CA-O 3.29Å; C237-C261 PolarHBondContact N-O 2.77Å; W246-C261 HydrophobicContact CH2-CB 4.34Å; C261-E266 WeakPolarHBondContact CA-OE2 3.48Å; C261-E266 HydrophobicContact CB-CB 3.99Å; C261-Q267 HydrophobicContact CB-CB 4.25Å |
| 262 | H | 94.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | trans | -99.3 | -18.2 | 178.2 | -82 | -167.1 | 0 | 0 | 0 | 113.8 | C237 V240 S249 G255 C258 Y260 E266 | C237-H262 VanDerWaalsContact CB-CD2 3.47Å; C237-H262 WeakPolarHBondContact CB-CD2 3.37Å; V240-H262 VanDerWaalsContact CG1-O 3.32Å; V240-H262 WeakPolarHBondContact CG1-O 3.39Å; S249-H262 PolarHBondContact OG-O 2.89Å; G255-H262 PolarHBondContact O-CE1 2.96Å; C258-H262 VanDerWaalsContact CB-CE1 3.4Å; C258-H262 WeakPolarHBondContact CB-CE1 3.32Å; C258-H262 WeakPolarHBondContact CB-NE2 3.46Å; C258-H262 PolarHBondContact SG-NE2 3.2Å; Y260-H262 PolarHBondContact O-N 3.22Å; H262-E266 PolarHBondContact N-OE2 2.64Å | ||
| 263 | T | 93.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -133.8 | 159.4 | 174.1 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | K221 K223 W246 T265 E266 Q267 | K221-T263 WeakPolarHBondContact O-CB 3.36Å; K221-T263 WeakPolarHBondContact O-CG2 3.35Å; K223-T263 WeakPolarHBondContact O-CG2 3.31Å; K223-T263 PolarHBondContact O-OG1 3.36Å; W246-T263 WeakPolarHBondContact CH2-O 3.36Å; W246-T263 WeakPolarHBondContact CZ3-O 3.49Å; T263-T265 PolarHBondContact O-N 2.88Å; T263-T265 PolarHBondContact OG1-N 3.34Å; T263-E266 WeakPolarHBondContact O-CB 3.4Å; T263-E266 PolarHBondContact O-N 2.94Å; T263-E266 VanDerWaalsContact O-N 3.12Å; T263-E266 PolarHBondContact OG1-N 2.89Å; T263-E266 VanDerWaalsContact OG1-N 3.13Å; T263-Q267 PolarHBondContact O-N 2.83Å; T263-Q267 VanDerWaalsContact O-N 3.15Å |
| 264 | R | 93.4 | Very high | 93.6 | Very high | 136 Ų | 136 | 43.7 Ų | 43.7 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59 | -31.5 | 171 | -175.9 | 176.3 | -71.4 | -142.4 | -0.6 | 111.1 | W246 Q267 Q268 | W246-R264 HydrophobicContact CD2-CB 4.4Å; W246-R264 HydrophobicContact CZ2-CB 4.23Å; R264-Q267 PolarHBondContact O-N 3.36Å; R264-Q268 HydrophobicContact CG-CG 4.23Å; R264-Q268 WeakPolarHBondContact O-CB 3.35Å; R264-Q268 WeakPolarHBondContact O-CG 3.47Å; R264-Q268 PolarHBondContact O-N 3.35Å |
| 265 | T | 92.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 10% | 0.104 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 173.1 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | Y196 K197 D222 R224 T263 Q267 Q268 F269 | Y196-T265 HydrophobicContact CD1-CG2 4.38Å; Y196-T265 HydrophobicContact CE1-CG2 4.33Å; K197-T265 HydrophobicContact CB-CG2 3.97Å; K197-T265 HydrophobicContact CD-CG2 3.87Å; K197-T265 HydrophobicContact CG-CG2 4.41Å; D222-T265 PolarHBondContact O-OG1 3.27Å; R224-T265 HydrophobicContact CB-CG2 3.97Å; T263-T265 PolarHBondContact O-N 2.88Å; T263-T265 PolarHBondContact OG1-N 3.34Å; T265-Q267 VanDerWaalsContact C-N 3.3Å; T265-Q267 PolarHBondContact O-N 2.99Å; T265-Q268 PolarHBondContact O-N 3.35Å; T265-F269 HydrophobicContact CG2-CD2 4.19Å; T265-F269 WeakPolarHBondContact O-CB 3.2Å; T265-F269 WeakPolarHBondContact O-CD2 3.37Å; T265-F269 PolarHBondContact O-N 3.48Å |
| 266 | E | 95.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -42.8 | 175 | -75.8 | -174.8 | 176.3 | 0 | 0 | 112 | R224 R225 Y232 C261 H262 T263 F269 H270 | R224-E266 HydrophobicContact CB-CG 4.05Å; R224-E266 HydrophobicContact CG-CG 3.92Å; R225-E266 VanDerWaalsContact CB-OE1 3.29Å; R225-E266 WeakPolarHBondContact CB-OE1 3.03Å; R225-E266 VanDerWaalsContact CG-OE1 3.28Å; R225-E266 WeakPolarHBondContact CG-OE1 3.3Å; R225-E266 IonicContact CZ-OE1 2.68Å; R225-E266 IonicContact CZ-OE2 3.67Å; R225-E266 PolarHBondContact N-OE1 3.08Å; R225-E266 IonicContact NE-OE1 2.71Å; R225-E266 PolarHBondContact NE-OE1 2.77Å; R225-E266 IonicContact NE-OE2 2.71Å; R225-E266 PolarHBondContact NE-OE2 3.25Å; R225-E266 IonicContact NH2-OE1 2.67Å; R225-E266 IonicContact NH2-OE2 3.72Å; R225-E266 PolarHBondContact NH2-OE2 3.48Å; Y232-E266 HydrophobicContact CD2-CB 4.49Å; Y232-E266 HydrophobicContact CE2-CB 3.74Å; Y232-E266 HydrophobicContact CE2-CG 4.08Å; C261-E266 WeakPolarHBondContact CA-OE2 3.48Å; C261-E266 HydrophobicContact CB-CB 3.99Å; H262-E266 PolarHBondContact N-OE2 2.64Å; T263-E266 WeakPolarHBondContact O-CB 3.4Å; T263-E266 PolarHBondContact O-N 2.94Å; T263-E266 VanDerWaalsContact O-N 3.12Å; T263-E266 PolarHBondContact OG1-N 2.89Å; T263-E266 VanDerWaalsContact OG1-N 3.13Å; E266-F269 CarbonylContact O-C 3.58Å; E266-H270 WeakPolarHBondContact O-CA 3.11Å; E266-H270 WeakPolarHBondContact O-CB 3.48Å; E266-H270 PolarHBondContact O-N 2.91Å |
| 267 | Q | 94.7 | Very high | 93.7 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.6 | -47.2 | 177.9 | 179.6 | 165.9 | 64.4 | 0 | 0 | 112.6 | S234 W246 C261 T263 R264 T265 F269 H270 I273 | S234-Q267 PolarHBondContact O-NE2 3.42Å; W246-Q267 HydrophobicContact CH2-CB 4.21Å; W246-Q267 HydrophobicContact CZ2-CB 4.43Å; C261-Q267 HydrophobicContact CB-CB 4.25Å; T263-Q267 PolarHBondContact O-N 2.83Å; T263-Q267 VanDerWaalsContact O-N 3.15Å; R264-Q267 PolarHBondContact O-N 3.36Å; T265-Q267 VanDerWaalsContact C-N 3.3Å; T265-Q267 PolarHBondContact O-N 2.99Å; Q267-F269 VanDerWaalsContact C-N 3.32Å; Q267-F269 PolarHBondContact O-N 3.17Å; Q267-H270 WeakPolarHBondContact O-CB 3.46Å; Q267-H270 PolarHBondContact O-N 3.38Å; Q267-I273 HydrophobicContact CG-CD1 3.82Å; Q267-I273 WeakPolarHBondContact O-CB 3.45Å; Q267-I273 WeakPolarHBondContact O-CG2 3.5Å |
| 268 | Q | 93.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -69.9 | -28.4 | -177.1 | -72.2 | -174.2 | -59.5 | 0 | 0 | 113.3 | R264 T265 A295 | R264-Q268 HydrophobicContact CG-CG 4.23Å; R264-Q268 WeakPolarHBondContact O-CB 3.35Å; R264-Q268 WeakPolarHBondContact O-CG 3.47Å; R264-Q268 PolarHBondContact O-N 3.35Å; T265-Q268 PolarHBondContact O-N 3.35Å; Q268-A295 HydrophobicContact CB-CB 4Å |
| 269 | F | 94.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 25.3 | 176 | -65.1 | -102.3 | 0 | 0 | 0 | 111.4 | V192 L193 Y196 R224 T265 E266 Q267 Y274 A295 | V192-F269 HydrophobicContact CG1-CD1 4.37Å; V192-F269 HydrophobicContact CG1-CE1 3.95Å; L193-F269 VanDerWaalsContact CD1-O 3.26Å; L193-F269 WeakPolarHBondContact CD1-O 3.38Å; Y196-F269 AromaticContact CD1-CD1 3.75Å; Y196-F269 HydrophobicContact CD1-CD1 3.75Å; Y196-F269 AromaticContact CD1-CD2 3.94Å; Y196-F269 HydrophobicContact CD1-CD2 3.94Å; Y196-F269 AromaticContact CD1-CE1 3.47Å; Y196-F269 HydrophobicContact CD1-CE1 3.47Å; Y196-F269 VanDerWaalsContact CD1-CE1 3.47Å; Y196-F269 AromaticContact CD1-CE2 3.7Å; Y196-F269 HydrophobicContact CD1-CE2 3.7Å; Y196-F269 AromaticContact CD1-CG 3.99Å; Y196-F269 HydrophobicContact CD1-CG 3.99Å; Y196-F269 AromaticContact CD1-CZ 3.45Å; Y196-F269 HydrophobicContact CD1-CZ 3.45Å; Y196-F269 VanDerWaalsContact CD1-CZ 3.45Å; Y196-F269 HydrophobicContact CE1-CD1 4.43Å; Y196-F269 HydrophobicContact CE1-CD2 4.1Å; Y196-F269 AromaticContact CE1-CE1 3.82Å; Y196-F269 HydrophobicContact CE1-CE1 3.82Å; Y196-F269 AromaticContact CE1-CE2 3.45Å; Y196-F269 HydrophobicContact CE1-CE2 3.45Å; Y196-F269 VanDerWaalsContact CE1-CE2 3.45Å; Y196-F269 AromaticContact CE1-CZ 3.29Å; Y196-F269 HydrophobicContact CE1-CZ 3.29Å; Y196-F269 HydrophobicContact CG-CD1 4.32Å; Y196-F269 HydrophobicContact CG-CE1 4.01Å; Y196-F269 HydrophobicContact CG-CZ 4.32Å; R224-F269 PolarHBondContact NE-O 2.82Å; R224-F269 PolarHBondContact NH2-O 3.43Å; T265-F269 HydrophobicContact CG2-CD2 4.19Å; T265-F269 WeakPolarHBondContact O-CB 3.2Å; T265-F269 WeakPolarHBondContact O-CD2 3.37Å; T265-F269 PolarHBondContact O-N 3.48Å; E266-F269 CarbonylContact O-C 3.58Å; Q267-F269 VanDerWaalsContact C-N 3.32Å; Q267-F269 PolarHBondContact O-N 3.17Å; F269-Y274 AromaticContact CD1-CD2 3.63Å; F269-Y274 HydrophobicContact CD1-CD2 3.63Å; F269-Y274 AromaticContact CD1-CE2 3.52Å; F269-Y274 HydrophobicContact CD1-CE2 3.52Å; F269-Y274 HydrophobicContact CE1-CD2 4.05Å; F269-Y274 AromaticContact CE1-CE2 3.53Å; F269-Y274 HydrophobicContact CE1-CE2 3.53Å; F269-Y274 HydrophobicContact CG-CD2 4.21Å; F269-Y274 HydrophobicContact CG-CE2 4.49Å; F269-Y274 HydrophobicContact CZ-CE2 4.48Å; F269-A295 HydrophobicContact CE2-CB 4.1Å; F269-A295 HydrophobicContact CZ-CB 4.18Å |
| 270 | H | 94.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | trans | -70.2 | 137.3 | 168 | -165.6 | -96.9 | 0 | 0 | 0 | 109.1 | Y232 S234 E266 Q267 E272 I273 Y274 | Y232-H270 AromaticContact CD2-CD2 3.61Å; Y232-H270 AromaticContact CE2-CD2 3.64Å; Y232-H270 PolarHBondContact O-NE2 2.85Å; S234-H270 PolarHBondContact N-CE1 3.14Å; S234-H270 PolarHBondContact N-NE2 2.66Å; E266-H270 WeakPolarHBondContact O-CA 3.11Å; E266-H270 WeakPolarHBondContact O-CB 3.48Å; E266-H270 PolarHBondContact O-N 2.91Å; Q267-H270 WeakPolarHBondContact O-CB 3.46Å; Q267-H270 PolarHBondContact O-N 3.38Å; H270-E272 IonicContact CE1-OE2 3.69Å; H270-E272 PolarHBondContact CE1-OE2 2.74Å; H270-E272 WeakPolarHBondContact ND1-CB 3.17Å; H270-E272 PolarHBondContact ND1-N 3.15Å; H270-E272 IonicContact ND1-OE2 2.88Å; H270-E272 PolarHBondContact ND1-OE2 3.3Å; H270-E272 PolarHBondContact O-N 2.98Å; H270-E272 VanDerWaalsContact O-N 3.14Å; H270-I273 HydrophobicContact CB-CB 4.25Å; H270-I273 PolarHBondContact O-N 3.4Å; H270-Y274 WeakPolarHBondContact O-CB 3.39Å; H270-Y274 PolarHBondContact O-N 2.98Å | ||
| 271 | P | 92.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -39.9 | -179.4 | -30.4 | 37.2 | 0 | 0 | 0 | 114.2 | L193 I273 G306 F309 | L193-P271 HydrophobicContact CD1-CG 4.49Å; L193-P271 HydrophobicContact CD2-CB 4.42Å; P271-I273 VanDerWaalsContact C-N 3.35Å; P271-I273 PolarHBondContact O-N 3.43Å; P271-G306 CarbonylContact O-C 3.49Å; P271-G306 WeakPolarHBondContact O-CA 3.35Å; P271-F309 HydrophobicContact CB-CD1 4.03Å; P271-F309 HydrophobicContact CG-CD1 3.75Å; P271-F309 HydrophobicContact CG-CE1 4.06Å |
| 272 | E | 90.9 | Very high | 92.7 | Very high | 111 Ų | 111 | 41.8 Ų | 41.8 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.2 | 176.8 | -57.1 | 168.8 | 153.1 | 0 | 0 | 114.5 | S234 H270 | S234-E272 WeakPolarHBondContact CB-OE2 3.2Å; S234-E272 PolarHBondContact OG-OE2 2.97Å; H270-E272 IonicContact CE1-OE2 3.69Å; H270-E272 PolarHBondContact CE1-OE2 2.74Å; H270-E272 WeakPolarHBondContact ND1-CB 3.17Å; H270-E272 PolarHBondContact ND1-N 3.15Å; H270-E272 IonicContact ND1-OE2 2.88Å; H270-E272 PolarHBondContact ND1-OE2 3.3Å; H270-E272 PolarHBondContact O-N 2.98Å; H270-E272 VanDerWaalsContact O-N 3.14Å |
| 273 | I | 93.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -34.5 | -174.2 | -72.4 | -179.4 | 0 | 0 | 0 | 111.9 | Q267 H270 P271 K275 S276 | Q267-I273 HydrophobicContact CG-CD1 3.82Å; Q267-I273 WeakPolarHBondContact O-CB 3.45Å; Q267-I273 WeakPolarHBondContact O-CG2 3.5Å; H270-I273 HydrophobicContact CB-CB 4.25Å; H270-I273 PolarHBondContact O-N 3.4Å; P271-I273 VanDerWaalsContact C-N 3.35Å; P271-I273 PolarHBondContact O-N 3.43Å; I273-K275 PolarHBondContact O-N 3.23Å; I273-K275 VanDerWaalsContact O-N 3.15Å; I273-S276 WeakPolarHBondContact O-CB 3.47Å; I273-S276 PolarHBondContact O-N 2.83Å; I273-S276 PolarHBondContact O-OG 3.33Å |
| 274 | Y | 94.4 | Very high | 92 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 119.3 | -171.2 | -178.4 | -108 | 0 | 0 | 0 | 111.1 | M189 V192 L193 F269 H270 S276 P292 A295 | M189-Y274 HydrophobicContact CG-CE1 3.9Å; M189-Y274 HydrophobicContact SD-CE1 3.8Å; V192-Y274 HydrophobicContact CG1-CE2 4.48Å; L193-Y274 HydrophobicContact CB-CD1 4.34Å; L193-Y274 HydrophobicContact CB-CE1 4.41Å; L193-Y274 HydrophobicContact CD1-CD1 4Å; L193-Y274 HydrophobicContact CD1-CG 3.91Å; L193-Y274 HydrophobicContact CD2-CD1 4.32Å; L193-Y274 HydrophobicContact CG-CD1 4.46Å; F269-Y274 AromaticContact CD1-CD2 3.63Å; F269-Y274 HydrophobicContact CD1-CD2 3.63Å; F269-Y274 AromaticContact CD1-CE2 3.52Å; F269-Y274 HydrophobicContact CD1-CE2 3.52Å; F269-Y274 HydrophobicContact CE1-CD2 4.05Å; F269-Y274 AromaticContact CE1-CE2 3.53Å; F269-Y274 HydrophobicContact CE1-CE2 3.53Å; F269-Y274 HydrophobicContact CG-CD2 4.21Å; F269-Y274 HydrophobicContact CG-CE2 4.49Å; F269-Y274 HydrophobicContact CZ-CE2 4.48Å; H270-Y274 WeakPolarHBondContact O-CB 3.39Å; H270-Y274 PolarHBondContact O-N 2.98Å; Y274-S276 PolarHBondContact O-N 3.12Å; Y274-S276 VanDerWaalsContact O-N 3.17Å; Y274-P292 PolarHBondContact OH-O 3.16Å; Y274-A295 HydrophobicContact CD2-CB 4.37Å |
| 275 | K | 93.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 16.1 | -175.8 | -60.3 | -160.7 | 172.6 | -172.6 | 0 | 116.5 | M189 I273 T277 C294 A295 A297 E302 M303 | M189-K275 HydrophobicContact CE-CD 3.95Å; M189-K275 HydrophobicContact SD-CD 3.59Å; M189-K275 VanDerWaalsContact SD-CD 3.59Å; M189-K275 VanDerWaalsContact SD-CE 3.57Å; M189-K275 PolarHBondContact SD-NZ 2.97Å; I273-K275 PolarHBondContact O-N 3.23Å; I273-K275 VanDerWaalsContact O-N 3.15Å; K275-T277 PolarHBondContact O-N 3.29Å; K275-T277 VanDerWaalsContact O-N 3.13Å; K275-C294 WeakPolarHBondContact CE-O 3.4Å; K275-A295 WeakPolarHBondContact CA-O 3.45Å; K275-A295 PolarHBondContact N-O 3.45Å; K275-A297 HydrophobicContact CB-CB 4.15Å; K275-E302 HydrophobicContact CD-CB 3.86Å; K275-E302 HydrophobicContact CD-CG 4.49Å; K275-E302 WeakPolarHBondContact CD-OE2 3.5Å; K275-E302 IonicContact NZ-OE1 3.4Å; K275-E302 PolarHBondContact NZ-OE1 3.04Å; K275-E302 IonicContact NZ-OE2 2.69Å; K275-E302 PolarHBondContact NZ-OE2 2.84Å; K275-M303 WeakPolarHBondContact O-CA 3.47Å; K275-M303 WeakPolarHBondContact O-CG 3.41Å |
| 276 | S | 91.6 | Very high | 90.8 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -58.9 | -20.7 | 171.2 | 61.3 | 0 | 0 | 0 | 0 | 114.8 | I273 Y274 | I273-S276 WeakPolarHBondContact O-CB 3.47Å; I273-S276 PolarHBondContact O-N 2.83Å; I273-S276 PolarHBondContact O-OG 3.33Å; Y274-S276 PolarHBondContact O-N 3.12Å; Y274-S276 VanDerWaalsContact O-N 3.17Å |
| 277 | T | 92.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -133.7 | 149.2 | -174.9 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | K275 F296 A297 | K275-T277 PolarHBondContact O-N 3.29Å; K275-T277 VanDerWaalsContact O-N 3.13Å; T277-F296 CarbonylContact O-C 2.96Å; T277-F296 WeakPolarHBondContact O-CA 3.43Å; T277-F296 WeakPolarHBondContact O-CB 3.38Å; T277-F296 WeakPolarHBondContact OG1-CD1 3.47Å; T277-A297 PolarHBondContact O-N 3.31Å |
| 278 | K | 93.2 | Very high | 89.7 | Confident | 87 Ų | 87 | 55 Ų | 55 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 143.1 | -175.8 | -63.8 | -167 | -175.4 | -169.6 | 0 | 112.9 | N280 L283 A297 D300 M303 | K278-N280 PolarHBondContact O-N 3.41Å; K278-L283 HydrophobicContact CB-CD1 3.99Å; K278-A297 CarbonylContact C-O 3.48Å; K278-A297 WeakPolarHBondContact CA-O 3.37Å; K278-D300 WeakPolarHBondContact CE-OD1 3.48Å; K278-D300 IonicContact NZ-OD1 3.42Å; K278-D300 PolarHBondContact NZ-OD1 3.43Å; K278-D300 IonicContact NZ-OD2 2.66Å; K278-D300 PolarHBondContact NZ-OD2 3Å; K278-M303 HydrophobicContact CD-SD 4.35Å; K278-M303 HydrophobicContact CG-SD 3.66Å |
| 279 | C | 93.7 | Very high | 89 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | trans | -73.2 | 116.5 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | D281 V282 L283 C288 F296 A297 | C279-D281 VanDerWaalsContact C-N 3.3Å; C279-D281 PolarHBondContact O-N 3.05Å; C279-V282 HydrophobicContact CB-CB 4.38Å; C279-V282 HydrophobicContact CB-CG2 4.03Å; C279-V282 PolarHBondContact O-N 2.97Å; C279-L283 WeakPolarHBondContact O-CG 3.47Å; C279-L283 PolarHBondContact O-N 3.47Å; C279-C288 VanDerWaalsContact SG-SG 3.7Å; C279-F296 HydrophobicContact CB-CB 3.68Å; C279-A297 WeakPolarHBondContact CB-O 3.42Å; C279-A297 PolarHBondContact N-O 3.14Å | ||
| 280 | N | 91.1 | Very high | 88.4 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -36.2 | -179.7 | -159.2 | -104 | 0 | 0 | 0 | 112.2 | K278 V282 L283 N284 | K278-N280 PolarHBondContact O-N 3.41Å; N280-V282 VanDerWaalsContact C-N 3.33Å; N280-V282 PolarHBondContact O-N 2.82Å; N280-L283 PolarHBondContact O-N 3.33Å; N280-N284 WeakPolarHBondContact O-CB 3.48Å; N280-N284 VanDerWaalsContact O-CG 3.28Å; N280-N284 PolarHBondContact O-N 3.47Å; N280-N284 PolarHBondContact O-OD1 3.41Å; N280-N284 PolarHBondContact OD1-ND2 2.77Å |
| 281 | D | 86.1 | Confident | 88 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -45 | 177 | -37.1 | -1.2 | 0 | 0 | 0 | 111.9 | C279 S285 Y287 C288 R290 | C279-D281 VanDerWaalsContact C-N 3.3Å; C279-D281 PolarHBondContact O-N 3.05Å; D281-S285 WeakPolarHBondContact O-CA 3.39Å; D281-S285 WeakPolarHBondContact O-CB 3.47Å; D281-S285 PolarHBondContact O-N 3.29Å; D281-S285 PolarHBondContact O-OG 3.26Å; D281-Y287 CarbonylContact C-O 3.44Å; D281-Y287 VanDerWaalsContact C-O 3.32Å; D281-Y287 WeakPolarHBondContact CB-O 3.26Å; D281-C288 HydrophobicContact CB-CB 4.11Å; D281-C288 PolarHBondContact OD2-SG 3.03Å; D281-R290 IonicContact OD1-CZ 2.84Å; D281-R290 IonicContact OD1-NH2 3.79Å; D281-R290 PolarHBondContact OD1-NH2 3.32Å; D281-R290 IonicContact OD2-CZ 3.53Å; D281-R290 IonicContact OD2-NE 2.74Å; D281-R290 IonicContact OD2-NH2 2.77Å; D281-R290 PolarHBondContact OD2-NH2 3.22Å |
| 282 | V | 87 | Confident | 87.7 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 21% | 0.212 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | C279 N280 G286 C288 H298 | C279-V282 HydrophobicContact CB-CB 4.38Å; C279-V282 HydrophobicContact CB-CG2 4.03Å; C279-V282 PolarHBondContact O-N 2.97Å; N280-V282 VanDerWaalsContact C-N 3.33Å; N280-V282 PolarHBondContact O-N 2.82Å; V282-G286 WeakPolarHBondContact O-CA 3.43Å; V282-G286 PolarHBondContact O-N 2.92Å; V282-C288 HydrophobicContact CG2-CB 3.69Å; V282-H298 HydrophobicContact CG2-CB 4.16Å; V282-H298 VanDerWaalsContact CG2-CD2 3.49Å; V282-H298 WeakPolarHBondContact CG2-CD2 3.36Å |
| 283 | L | 87.3 | Confident | 87.7 | Confident | 112 Ų | 112 | 54.3 Ų | 54.3 | 59% | 0.586 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65 | -39 | 177.3 | -67.1 | 172.4 | 0 | 0 | 0 | 112.4 | K278 C279 N280 | K278-L283 HydrophobicContact CB-CD1 3.99Å; C279-L283 WeakPolarHBondContact O-CG 3.47Å; C279-L283 PolarHBondContact O-N 3.47Å; N280-L283 PolarHBondContact O-N 3.33Å |
| 284 | N | 86.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 51.8 Ų | 51.8 | 64% | 0.642 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -89.4 | -30.9 | -175.4 | -61.2 | -0.5 | 0 | 0 | 0 | 113.4 | N280 | N280-N284 WeakPolarHBondContact O-CB 3.48Å; N280-N284 VanDerWaalsContact O-CG 3.28Å; N280-N284 PolarHBondContact O-N 3.47Å; N280-N284 PolarHBondContact O-OD1 3.41Å; N280-N284 PolarHBondContact OD1-ND2 2.77Å |
| 285 | S | 79.1 | Confident | 87.5 | Confident | 83 Ų | 83 | 52 Ų | 52 | 58% | 0.58 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -129.2 | -3.2 | -170.5 | 76.8 | 0 | 0 | 0 | 0 | 115.2 | D281 Y287 | D281-S285 WeakPolarHBondContact O-CA 3.39Å; D281-S285 WeakPolarHBondContact O-CB 3.47Å; D281-S285 PolarHBondContact O-N 3.29Å; D281-S285 PolarHBondContact O-OG 3.26Å; S285-Y287 PolarHBondContact O-N 3.03Å; S285-Y287 PolarHBondContact OG-O 2.97Å |
| 286 | G | 82.3 | Confident | 87.5 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 73.1 | -2.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | V282 | V282-G286 WeakPolarHBondContact O-CA 3.43Å; V282-G286 PolarHBondContact O-N 2.92Å |
| 287 | Y | 81.2 | Confident | 87.6 | Confident | 100 Ų | 100 | 52 Ų | 52 | 39% | 0.392 | 29% | 0.291 | S | S | . | . | trans | -140.4 | 147.8 | -174.5 | 176.7 | -100.4 | 0 | 0 | 0 | 111.1 | D281 S285 P289 | D281-Y287 CarbonylContact C-O 3.44Å; D281-Y287 VanDerWaalsContact C-O 3.32Å; D281-Y287 WeakPolarHBondContact CB-O 3.26Å; S285-Y287 PolarHBondContact O-N 3.03Å; S285-Y287 PolarHBondContact OG-O 2.97Å; Y287-P289 HydrophobicContact CE1-CB 4.09Å | ||
| 288 | C | 86.8 | Confident | 87.6 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | trans | -125.2 | 120.4 | 172.3 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | C279 D281 V282 R290 G291 C294 H298 | C279-C288 VanDerWaalsContact SG-SG 3.7Å; D281-C288 HydrophobicContact CB-CB 4.11Å; D281-C288 PolarHBondContact OD2-SG 3.03Å; V282-C288 HydrophobicContact CG2-CB 3.69Å; C288-R290 PolarHBondContact O-N 3.44Å; C288-R290 PolarHBondContact SG-N 3.34Å; C288-G291 PolarHBondContact O-N 2.96Å; C288-C294 VanDerWaalsContact SG-SG 3.66Å; C288-H298 VanDerWaalsContact CB-NE2 3.32Å; C288-H298 WeakPolarHBondContact CB-NE2 3.13Å | ||
| 289 | P | 77.3 | Confident | 87.3 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -5.3 | -179.6 | 29 | -35.9 | 0 | 0 | 0 | 114.4 | I124 Y287 | I124-P289 HydrophobicContact CG2-CG 4.29Å; Y287-P289 HydrophobicContact CE1-CB 4.09Å |
| 290 | R | 82.9 | Confident | 87 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -17.5 | 174.8 | -64.2 | 174.4 | -81.1 | -131.2 | -4.7 | 113.5 | D281 C288 F293 C294 | D281-R290 IonicContact OD1-CZ 2.84Å; D281-R290 IonicContact OD1-NH2 3.79Å; D281-R290 PolarHBondContact OD1-NH2 3.32Å; D281-R290 IonicContact OD2-CZ 3.53Å; D281-R290 IonicContact OD2-NE 2.74Å; D281-R290 IonicContact OD2-NH2 2.77Å; D281-R290 PolarHBondContact OD2-NH2 3.22Å; C288-R290 PolarHBondContact O-N 3.44Å; C288-R290 PolarHBondContact SG-N 3.34Å; R290-F293 WeakPolarHBondContact O-CB 3.46Å; R290-F293 PolarHBondContact O-N 2.75Å; R290-F293 VanDerWaalsContact O-N 3.16Å; R290-C294 HydrophobicContact CB-CB 3.91Å |
| 291 | G | 85.6 | Confident | 86.8 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | 55.4 | -134.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C288 F293 C294 H298 | C288-G291 PolarHBondContact O-N 2.96Å; G291-F293 PolarHBondContact O-N 3.5Å; G291-C294 WeakPolarHBondContact O-CB 3.36Å; G291-C294 PolarHBondContact O-N 3.41Å; G291-H298 PolarHBondContact O-CE1 2.84Å; G291-H298 VanDerWaalsContact O-CE1 3.26Å |
| 292 | P | 86.5 | Confident | 87 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -67.2 | -22.1 | 179.7 | 30 | -34.9 | 0 | 0 | 0 | 112.9 | W186 V192 Y274 C294 | W186-P292 WeakPolarHBondContact O-CB 3.45Å; W186-P292 WeakPolarHBondContact O-CG 3.46Å; V192-P292 HydrophobicContact CG2-CB 4.46Å; Y274-P292 PolarHBondContact OH-O 3.16Å; P292-C294 PolarHBondContact O-N 2.87Å |
| 293 | F | 90 | Very high | 86.8 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78.7 | 12.1 | 176.1 | -45.4 | -64.8 | 0 | 0 | 0 | 113.2 | W186 V192 Y196 P215 R290 G291 | W186-F293 HydrophobicContact CB-CE1 4.25Å; W186-F293 HydrophobicContact CB-CZ 4.11Å; W186-F293 HydrophobicContact CD2-CE1 4.24Å; W186-F293 AromaticContact CE3-CE1 3.8Å; W186-F293 HydrophobicContact CE3-CE1 3.8Å; W186-F293 HydrophobicContact CG-CE1 4.47Å; W186-F293 HydrophobicContact CG-CZ 4.49Å; V192-F293 HydrophobicContact CG1-CD1 4.45Å; Y196-F293 AromaticContact CD2-CD1 3.53Å; Y196-F293 HydrophobicContact CD2-CD1 3.53Å; Y196-F293 HydrophobicContact CD2-CE1 4.1Å; Y196-F293 HydrophobicContact CD2-CG 4.39Å; Y196-F293 HydrophobicContact CE2-CB 3.91Å; Y196-F293 AromaticContact CE2-CD1 3.4Å; Y196-F293 HydrophobicContact CE2-CD1 3.4Å; Y196-F293 VanDerWaalsContact CE2-CD1 3.4Å; Y196-F293 HydrophobicContact CE2-CE1 4.17Å; Y196-F293 AromaticContact CE2-CG 3.82Å; Y196-F293 HydrophobicContact CE2-CG 3.82Å; P215-F293 HydrophobicContact CB-CE1 4.3Å; P215-F293 HydrophobicContact CG-CE1 4.02Å; P215-F293 HydrophobicContact CG-CZ 3.82Å; R290-F293 WeakPolarHBondContact O-CB 3.46Å; R290-F293 PolarHBondContact O-N 2.75Å; R290-F293 VanDerWaalsContact O-N 3.16Å; G291-F293 PolarHBondContact O-N 3.5Å |
| 294 | C | 91.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -75 | 123.8 | 169.1 | -162.1 | 0 | 0 | 0 | 0 | 110.5 | K275 C288 R290 G291 P292 F296 H298 | K275-C294 WeakPolarHBondContact CE-O 3.4Å; C288-C294 VanDerWaalsContact SG-SG 3.66Å; R290-C294 HydrophobicContact CB-CB 3.91Å; G291-C294 WeakPolarHBondContact O-CB 3.36Å; G291-C294 PolarHBondContact O-N 3.41Å; P292-C294 PolarHBondContact O-N 2.87Å; C294-F296 PolarHBondContact O-N 2.78Å; C294-H298 WeakPolarHBondContact CB-NE2 3.16Å; C294-H298 PolarHBondContact SG-NE2 3.19Å; C294-H298 VanDerWaalsContact SG-NE2 3.36Å | ||
| 295 | A | 92.8 | Very high | 85.2 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -73.1 | -2.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q268 F269 Y274 K275 | Q268-A295 HydrophobicContact CB-CB 4Å; F269-A295 HydrophobicContact CE2-CB 4.1Å; F269-A295 HydrophobicContact CZ-CB 4.18Å; Y274-A295 HydrophobicContact CD2-CB 4.37Å; K275-A295 WeakPolarHBondContact CA-O 3.45Å; K275-A295 PolarHBondContact N-O 3.45Å |
| 296 | F | 93.6 | Very high | 84.3 | Confident | 62 Ų | 62 | 45 Ų | 45 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -115.4 | 148.3 | -177.8 | -55.2 | -70.6 | 0 | 0 | 0 | 110.8 | T277 C279 C294 | T277-F296 CarbonylContact O-C 2.96Å; T277-F296 WeakPolarHBondContact O-CA 3.43Å; T277-F296 WeakPolarHBondContact O-CB 3.38Å; T277-F296 WeakPolarHBondContact OG1-CD1 3.47Å; C279-F296 HydrophobicContact CB-CB 3.68Å; C294-F296 PolarHBondContact O-N 2.78Å |
| 297 | A | 93.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 128.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K275 T277 K278 C279 E302 M303 | K275-A297 HydrophobicContact CB-CB 4.15Å; T277-A297 PolarHBondContact O-N 3.31Å; K278-A297 CarbonylContact C-O 3.48Å; K278-A297 WeakPolarHBondContact CA-O 3.37Å; C279-A297 WeakPolarHBondContact CB-O 3.42Å; C279-A297 PolarHBondContact N-O 3.14Å; A297-E302 WeakPolarHBondContact CA-OE2 3.39Å; A297-E302 HydrophobicContact CB-CB 3.99Å; A297-M303 HydrophobicContact CB-CG 3.61Å; A297-M303 HydrophobicContact CB-SD 4.19Å |
| 298 | H | 91.4 | Very high | 82.2 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -82.3 | -22.1 | 173.6 | -65.9 | 174.5 | 0 | 0 | 0 | 112.4 | V282 C288 G291 C294 E302 | V282-H298 HydrophobicContact CG2-CB 4.16Å; V282-H298 VanDerWaalsContact CG2-CD2 3.49Å; V282-H298 WeakPolarHBondContact CG2-CD2 3.36Å; C288-H298 VanDerWaalsContact CB-NE2 3.32Å; C288-H298 WeakPolarHBondContact CB-NE2 3.13Å; G291-H298 PolarHBondContact O-CE1 2.84Å; G291-H298 VanDerWaalsContact O-CE1 3.26Å; C294-H298 WeakPolarHBondContact CB-NE2 3.16Å; C294-H298 PolarHBondContact SG-NE2 3.19Å; C294-H298 VanDerWaalsContact SG-NE2 3.36Å; H298-E302 IonicContact CG-OE2 2.84Å; H298-E302 PolarHBondContact N-OE2 3.46Å |
| 299 | C | 88.3 | Confident | 81.1 | Confident | 58 Ų | 58 | 51 Ų | 51 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -153.5 | 161.8 | 172.4 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | S301 E302 | C299-S301 PolarHBondContact O-N 3.07Å; C299-S301 VanDerWaalsContact O-N 3.12Å; C299-S301 PolarHBondContact SG-OG 3.46Å; C299-E302 WeakPolarHBondContact O-CB 3.44Å; C299-E302 PolarHBondContact O-N 3.04Å |
| 300 | D | 87.4 | Confident | 80.3 | Confident | 98 Ų | 98 | 50.4 Ų | 50.4 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -58 | -27.3 | -173.8 | -65.6 | -100.4 | 0 | 0 | 0 | 114.5 | K278 E302 M303 | K278-D300 WeakPolarHBondContact CE-OD1 3.48Å; K278-D300 IonicContact NZ-OD1 3.42Å; K278-D300 PolarHBondContact NZ-OD1 3.43Å; K278-D300 IonicContact NZ-OD2 2.66Å; K278-D300 PolarHBondContact NZ-OD2 3Å; D300-E302 PolarHBondContact O-N 2.78Å; D300-M303 PolarHBondContact O-N 3.45Å |
| 301 | S | 86.1 | Confident | 79 | Confident | 91 Ų | 91 | 48.8 Ų | 48.8 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -68.8 | -18.6 | 175.5 | 47.9 | 0 | 0 | 0 | 0 | 114 | C299 | C299-S301 PolarHBondContact O-N 3.07Å; C299-S301 VanDerWaalsContact O-N 3.12Å; C299-S301 PolarHBondContact SG-OG 3.46Å |
| 302 | E | 89.9 | Confident | 77.5 | Confident | 35 Ų | 35 | 53 Ų | 53 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -81.4 | -19.2 | 175.2 | -58.8 | -166.3 | 136.3 | 0 | 0 | 113.2 | M189 K275 A297 H298 C299 D300 S304 | M189-E302 HydrophobicContact CE-CB 3.87Å; M189-E302 HydrophobicContact CE-CG 3.63Å; M189-E302 WeakPolarHBondContact CE-OE1 3.34Å; K275-E302 HydrophobicContact CD-CB 3.86Å; K275-E302 HydrophobicContact CD-CG 4.49Å; K275-E302 WeakPolarHBondContact CD-OE2 3.5Å; K275-E302 IonicContact NZ-OE1 3.4Å; K275-E302 PolarHBondContact NZ-OE1 3.04Å; K275-E302 IonicContact NZ-OE2 2.69Å; K275-E302 PolarHBondContact NZ-OE2 2.84Å; A297-E302 WeakPolarHBondContact CA-OE2 3.39Å; A297-E302 HydrophobicContact CB-CB 3.99Å; H298-E302 IonicContact CG-OE2 2.84Å; H298-E302 PolarHBondContact N-OE2 3.46Å; C299-E302 WeakPolarHBondContact O-CB 3.44Å; C299-E302 PolarHBondContact O-N 3.04Å; D300-E302 PolarHBondContact O-N 2.78Å; E302-S304 PolarHBondContact O-N 3.27Å |
| 303 | M | 83.2 | Confident | 75.9 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.8 | -173.7 | -89.5 | 154.2 | 47.6 | 0 | 0 | 115 | K275 K278 A297 D300 | K275-M303 WeakPolarHBondContact O-CA 3.47Å; K275-M303 WeakPolarHBondContact O-CG 3.41Å; K278-M303 HydrophobicContact CD-SD 4.35Å; K278-M303 HydrophobicContact CG-SD 3.66Å; A297-M303 HydrophobicContact CB-CG 3.61Å; A297-M303 HydrophobicContact CB-SD 4.19Å; D300-M303 PolarHBondContact O-N 3.45Å |
| 304 | S | 72.1 | Confident | 73.8 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 44% | 0.441 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -31.8 | -179.2 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | E302 G306 R307 | E302-S304 PolarHBondContact O-N 3.27Å; S304-G306 VanDerWaalsContact C-N 3.3Å; S304-G306 PolarHBondContact O-N 3.32Å; S304-G306 VanDerWaalsContact O-N 3.14Å; S304-R307 PolarHBondContact O-N 3.24Å; S304-R307 VanDerWaalsContact O-N 3.13Å |
| 305 | I | 68.8 | Low | 71.5 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.8 | -23.8 | -154.9 | -64.4 | 165.3 | 0 | 0 | 0 | 113.9 | M189 F190 R307 D308 F309 | M189-I305 HydrophobicContact CB-CD1 4.26Å; M189-I305 HydrophobicContact CB-CG2 4.16Å; M189-I305 HydrophobicContact CE-CD1 3.63Å; M189-I305 HydrophobicContact CG-CB 4.23Å; M189-I305 HydrophobicContact CG-CD1 3.9Å; M189-I305 HydrophobicContact CG-CG2 3.72Å; F190-I305 HydrophobicContact CD1-CG2 4.02Å; F190-I305 HydrophobicContact CE1-CG2 3.43Å; F190-I305 VanDerWaalsContact CE1-CG2 3.43Å; F190-I305 HydrophobicContact CE2-CG2 4.28Å; F190-I305 HydrophobicContact CZ-CG2 3.58Å; I305-R307 PolarHBondContact O-N 2.98Å; I305-D308 PolarHBondContact O-N 2.54Å; I305-F309 PolarHBondContact O-N 2.58Å |
| 306 | G | 59.5 | Low | 68.6 | Low | 9 Ų | 9 | 76.2 Ų | 76.2 | 9% | 0.093 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.2 | -27.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P271 S304 S310 | P271-G306 CarbonylContact O-C 3.49Å; P271-G306 WeakPolarHBondContact O-CA 3.35Å; S304-G306 VanDerWaalsContact C-N 3.3Å; S304-G306 PolarHBondContact O-N 3.32Å; S304-G306 VanDerWaalsContact O-N 3.14Å; G306-S310 PolarHBondContact O-OG 2.96Å |
| 307 | R | 59.4 | Low | 65.4 | Low | 190 Ų | 190 | 81.3 Ų | 81.3 | 72% | 0.717 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -77.7 | -38.1 | 176.2 | -80.5 | 179 | -86.1 | -171.9 | -7.1 | 112.8 | S304 I305 F309 S310 A311 | S304-R307 PolarHBondContact O-N 3.24Å; S304-R307 VanDerWaalsContact O-N 3.13Å; I305-R307 PolarHBondContact O-N 2.98Å; R307-F309 VanDerWaalsContact C-N 3.32Å; R307-F309 PolarHBondContact O-N 3.17Å; R307-S310 PolarHBondContact O-N 2.72Å; R307-A311 PolarHBondContact O-N 3.24Å |
| 308 | D | 60.7 | Low | 62.3 | Low | 82 Ų | 82 | 87.1 Ų | 87.1 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | -176.9 | -52.1 | -39.2 | 0 | 0 | 0 | 111.8 | F190 I305 A311 N312 | F190-D308 HydrophobicContact CE1-CB 4.33Å; F190-D308 HydrophobicContact CZ-CB 4.23Å; I305-D308 PolarHBondContact O-N 2.54Å; D308-A311 PolarHBondContact O-N 2.86Å; D308-N312 PolarHBondContact O-N 3.05Å |
| 309 | F | 63.6 | Low | 59.2 | Low | 26 Ų | 26 | 87.6 Ų | 87.6 | 11% | 0.114 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.4 | -172.4 | -101.7 | 0 | 0 | 0 | 112.5 | F190 L193 P227 P271 I305 R307 A311 N312 V313 | F190-F309 HydrophobicContact CD1-CB 4.11Å; F190-F309 AromaticContact CD1-CD2 3.83Å; F190-F309 HydrophobicContact CD1-CD2 3.83Å; F190-F309 HydrophobicContact CD1-CG 4.43Å; F190-F309 HydrophobicContact CE1-CB 4.09Å; L193-F309 HydrophobicContact CD2-CB 3.68Å; L193-F309 HydrophobicContact CD2-CD1 3.73Å; L193-F309 HydrophobicContact CD2-CD2 4.21Å; L193-F309 HydrophobicContact CD2-CE1 4.41Å; L193-F309 HydrophobicContact CD2-CG 3.6Å; L193-F309 HydrophobicContact CG-CD1 4.18Å; L193-F309 HydrophobicContact CG-CE1 4.38Å; L193-F309 HydrophobicContact CG-CG 4.33Å; P227-F309 HydrophobicContact CB-CE1 4.19Å; P227-F309 HydrophobicContact CG-CE1 3.91Å; P227-F309 HydrophobicContact CG-CZ 4.08Å; P271-F309 HydrophobicContact CB-CD1 4.03Å; P271-F309 HydrophobicContact CG-CD1 3.75Å; P271-F309 HydrophobicContact CG-CE1 4.06Å; I305-F309 PolarHBondContact O-N 2.58Å; R307-F309 VanDerWaalsContact C-N 3.32Å; R307-F309 PolarHBondContact O-N 3.17Å; F309-A311 VanDerWaalsContact C-N 3.26Å; F309-A311 PolarHBondContact O-N 3.36Å; F309-N312 PolarHBondContact O-N 2.92Å; F309-V313 HydrophobicContact CD1-CG2 4.01Å; F309-V313 HydrophobicContact CE1-CG2 3.62Å; F309-V313 HydrophobicContact CE2-CG2 4.36Å; F309-V313 HydrophobicContact CZ-CG2 3.82Å; F309-V313 WeakPolarHBondContact O-CG2 3.15Å; F309-V313 PolarHBondContact O-N 3.09Å; F309-V313 VanDerWaalsContact O-N 3.08Å |
| 310 | S | 58.9 | Low | 56.2 | Low | 43 Ų | 43 | 93.2 Ų | 93.2 | 30% | 0.301 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -33.4 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | G306 R307 Q314 | G306-S310 PolarHBondContact O-OG 2.96Å; R307-S310 PolarHBondContact O-N 2.72Å; S310-Q314 WeakPolarHBondContact O-CG 3.4Å |
| 311 | A | 55.5 | Low | 53.6 | Low | 52 Ų | 52 | 96.2 Ų | 96.2 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R307 D308 F309 Q314 | R307-A311 PolarHBondContact O-N 3.24Å; D308-A311 PolarHBondContact O-N 2.86Å; F309-A311 VanDerWaalsContact C-N 3.26Å; F309-A311 PolarHBondContact O-N 3.36Å; A311-Q314 PolarHBondContact O-N 3.4Å |
| 312 | N | 54.4 | Low | 50.9 | Low | 100 Ų | 100 | 98.8 Ų | 98.8 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 178.9 | -79.8 | -5.4 | 0 | 0 | 0 | 113 | D308 F309 Q314 Q315 | D308-N312 PolarHBondContact O-N 3.05Å; F309-N312 PolarHBondContact O-N 2.92Å; N312-Q314 PolarHBondContact O-N 2.96Å; N312-Q315 PolarHBondContact O-N 3.38Å |
| 313 | V | 53.6 | Low | 48 | Very low | 50 Ų | 50 | 106.2 Ų | 106.2 | 30% | 0.303 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -22.8 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | F309 | F309-V313 HydrophobicContact CD1-CG2 4.01Å; F309-V313 HydrophobicContact CE1-CG2 3.62Å; F309-V313 HydrophobicContact CE2-CG2 4.36Å; F309-V313 HydrophobicContact CZ-CG2 3.82Å; F309-V313 WeakPolarHBondContact O-CG2 3.15Å; F309-V313 PolarHBondContact O-N 3.09Å; F309-V313 VanDerWaalsContact O-N 3.08Å |
| 314 | Q | 46 | Very low | 45.5 | Very low | 157 Ų | 157 | 107.6 Ų | 107.6 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -9.1 | 175.4 | -69.9 | 178.9 | -9.1 | 0 | 0 | 114.3 | S310 A311 N312 | S310-Q314 WeakPolarHBondContact O-CG 3.4Å; A311-Q314 PolarHBondContact O-N 3.4Å; N312-Q314 PolarHBondContact O-N 2.96Å |
| 315 | Q | 43.3 | Very low | 43.5 | Very low | 154 Ų | 154 | 111.8 Ų | 111.8 | 72% | 0.72 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -12.7 | -177.5 | -72.6 | -168.6 | -15.6 | 0 | 0 | 115.3 | N312 Q317 | N312-Q315 PolarHBondContact O-N 3.38Å; Q315-Q317 PolarHBondContact O-N 3.15Å |
| 316 | E | 31.9 | Very low | 41.8 | Very low | 179 Ų | 179 | 116.1 Ų | 116.1 | 84% | 0.836 | 62% | 0.618 | S | S | * | * | trans | -97.9 | 42.6 | 178 | -65.5 | -156.2 | 141.7 | 0 | 0 | 114.3 | ||||
| 317 | Q | 26.1 | Very low | 40.5 | Very low | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | trans | -108 | 106.1 | 160.2 | -74.2 | -158.3 | 9.4 | 0 | 0 | 111.5 | Q315 G319 | Q315-Q317 PolarHBondContact O-N 3.15Å; Q317-G319 PolarHBondContact O-N 3.12Å; Q317-G319 VanDerWaalsContact O-N 3.12Å | ||
| 318 | P | 28.9 | Very low | 39.2 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 81% | 0.805 | 65% | 0.65 | S | S | * | * | trans | -70.6 | 105.5 | 166 | 29.1 | -31.8 | 0 | 0 | 0 | 109.1 | L320 | P318-L320 PolarHBondContact O-N 3.39Š| ||
| 319 | G | 26.5 | Very low | 37.7 | Very low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 66% | 0.658 | S | S | * | * | trans | -63.5 | 127.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q317 I321 | Q317-G319 PolarHBondContact O-N 3.12Å; Q317-G319 VanDerWaalsContact O-N 3.12Å; G319-I321 PolarHBondContact O-N 3.13Å | ||
| 320 | L | 25 | Very low | 36.2 | Very low | 175 Ų | 175 | 126.4 Ų | 126.4 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | trans | -92.2 | 88 | 166.2 | -69.6 | 178.5 | 0 | 0 | 0 | 109.9 | P318 | P318-L320 PolarHBondContact O-N 3.39Š| ||
| 321 | I | 31.3 | Very low | 34.8 | Very low | 161 Ų | 161 | 129 Ų | 129 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | trans | -92.8 | 134.4 | 163.8 | -62.6 | 180 | 0 | 0 | 0 | 108.3 | G319 | G319-I321 PolarHBondContact O-N 3.13Š| ||
| 322 | I | 29.9 | Very low | 33.7 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -84.6 | 122.5 | -178.4 | -60.4 | 171.2 | 0 | 0 | 0 | 109.5 | S324 | I322-S324 WeakPolarHBondContact CG2-OG 3.38Š| ||
| 323 | E | 29.1 | Very low | 32.7 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -105.8 | 135.5 | 152.1 | -69.9 | -158.7 | 147.3 | 0 | 0 | 109.7 | ||||
| 324 | S | 31.6 | Very low | 31.7 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | -145.7 | 113.7 | -178.4 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | I322 | I322-S324 WeakPolarHBondContact CG2-OG 3.38Š| ||
| 325 | N | 30.5 | Very low | 31.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -158 | 110.3 | 157 | -92.2 | -52.1 | 0 | 0 | 0 | 107.6 | ||||
| 326 | N | 31.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | 88 | 104.6 | 66.9 | -82.1 | -34.9 | 0 | 0 | 0 | 113.2 | |||||
| 327 | N | 33.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | 173.5 | 133.1 | 95.3 | -88.5 | -53 | 0 | 0 | 0 | 114.2 | |||||
| 328 | N | 31.5 | Very low | 30.7 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 62.5 | 150.8 | 145.2 | -61.9 | -21.6 | 0 | 0 | 0 | 122 | ||||
| 329 | S | 29.9 | Very low | 30.7 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | cis | -175.9 | 159.5 | -24 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 330 | L | 30.8 | Very low | 31 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 68.2 | 157 | 164.3 | -86.1 | 66.9 | 0 | 0 | 0 | 118.3 | ||||
| 331 | S | 30.8 | Very low | 31.2 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | cis | 178.3 | 171 | -32.6 | -101.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 332 | S | 32.9 | Very low | 31.2 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | cis | -176.4 | 81.1 | -33.6 | -83.4 | 0 | 0 | 0 | 0 | 110.2 | N334 | S332-N334 PolarHBondContact O-ND2 3.27Š| ||
| 333 | N | 33.5 | Very low | 31.1 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | -122.7 | 111.5 | 173.3 | -70.9 | -23.4 | 0 | 0 | 0 | 109.1 | ||||
| 334 | N | 32.4 | Very low | 31.1 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | cis | 68.4 | 126.5 | 44.2 | -58.5 | -37 | 0 | 0 | 0 | 113 | S332 | S332-N334 PolarHBondContact O-ND2 3.27Š| ||
| 335 | I | 33.1 | Very low | 31 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | -171 | 151.3 | 84.6 | -85.5 | 160.3 | 0 | 0 | 0 | 107.4 | |||||
| 336 | S | 31.8 | Very low | 30.8 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | cis | -168.6 | 177.3 | -14.8 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 337 | L | 28.8 | Very low | 30.7 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -54.6 | 167.9 | -175.7 | -68.6 | 76.9 | 0 | 0 | 0 | 115.4 | ||||
| 338 | S | 30.9 | Very low | 30.3 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -170.2 | 153.8 | 49 | -45.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 339 | S | 29.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 45.3 | 146 | 141.7 | -50.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 340 | S | 32.5 | Very low | 30 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | 176.4 | 165 | 8.4 | 36.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 341 | S | 29.7 | Very low | 29.9 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -176.3 | -178.7 | -15.5 | -82.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 342 | I | 31.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 125 Ų | 125 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | 84.7 | 115.6 | 163.2 | -63 | 159.5 | 0 | 0 | 0 | 119.3 | ||||
| 343 | T | 26.7 | Very low | 29.7 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 1.5 | 142.8 | 139.2 | -6.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 344 | T | 30.1 | Very low | 29.5 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | cis | -157.3 | 165.5 | 47.1 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 345 | G | 29.7 | Very low | 29.4 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 144.3 | 105.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 346 | I | 26.5 | Very low | 29.1 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -111.8 | 126.8 | 158.6 | -52.6 | 172.7 | 0 | 0 | 0 | 103.8 | ||||
| 347 | T | 28.1 | Very low | 28.8 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | -165.9 | 154.7 | 84.6 | 39.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 348 | T | 26.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 29.9 | 130.1 | 147.2 | 60.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 349 | T | 28.6 | Very low | 28.8 | Very low | 142 Ų | 142 | 144 Ų | 144 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | -159.7 | 153.3 | 115.1 | 5.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 350 | T | 25 | Very low | 28.9 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -89.1 | 151.2 | 175.4 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 351 | S | 29.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -144.7 | 134 | 162.2 | 57.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 352 | S | 27.8 | Very low | 28.6 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 138.1 | -169.3 | -46.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 353 | F | 31.3 | Very low | 28.6 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -88.5 | 120.5 | 165.8 | -80.9 | -76.1 | 0 | 0 | 0 | 111.4 | ||||
| 354 | Q | 28.8 | Very low | 28.7 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -104.5 | 102.2 | -169.4 | -175.2 | 179.8 | 13.5 | 0 | 0 | 110.2 | ||||
| 355 | Y | 30.6 | Very low | 28.7 | Very low | 221 Ų | 221 | 144.3 Ų | 144.3 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 126.2 | 177.1 | -92 | -84.5 | 0 | 0 | 0 | 112.5 | ||
| 356 | H | 28.3 | Very low | 28.7 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 153.4 | 177.5 | -90.2 | 28.3 | 0 | 0 | 0 | 112.8 | ||
| 357 | R | 25.2 | Very low | 28.9 | Very low | 220 Ų | 220 | 144.3 Ų | 144.3 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 141.3 | 159.7 | -59.7 | -176.1 | -172.9 | -172.6 | 4.3 | 108.8 | ||
| 358 | H | 29.5 | Very low | 29 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -152 | 134.5 | 133.7 | -110.8 | -74.1 | 0 | 0 | 0 | 110.8 | ||||
| 359 | I | 28.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 146 Ų | 146 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -117.8 | 140.9 | 164 | -57.2 | 170.3 | 0 | 0 | 0 | 105 | ||||
| 360 | P | 31.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -135.1 | 155.6 | 136.7 | 35.5 | -24.3 | 0 | 0 | 0 | 112.7 | ||||
| 361 | S | 29.6 | Very low | 29.5 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -97.8 | 160.8 | 169.8 | -52.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | D | 28.2 | Very low | 29.6 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -77.7 | 171.7 | -173.4 | -62.5 | -71.5 | 0 | 0 | 0 | 116.1 | ||||
| 363 | I | 31.4 | Very low | 29.9 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 77.8 | 130.6 | 155.3 | -73.6 | 156.7 | 0 | 0 | 0 | 116.6 | ||||
| 364 | S | 27.4 | Very low | 29.9 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | cis | -174.4 | -177.1 | -8 | 57.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 365 | V | 29.9 | Very low | 30 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | 89.8 | 113.7 | 151.7 | 170 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 366 | I | 30.2 | Very low | 30 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 61.7 | 149.7 | 147.2 | -69.2 | 172.7 | 0 | 0 | 0 | 120.4 | ||||
| 367 | S | 30.5 | Very low | 30.1 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 54% | 0.538 | 76% | 0.76 | S | S | . | * | cis | -173.7 | 159.1 | -37.5 | -161.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 368 | H | 31.1 | Very low | 30.3 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | 70.4 | 131.2 | 160.7 | -56 | -59.9 | 0 | 0 | 0 | 123.5 | ||||
| 369 | G | 30.4 | Very low | 30.4 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | trans | 106.6 | 131 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 370 | G | 29.6 | Very low | 30.6 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | cis | 157.1 | 110.8 | -15.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 371 | G | 29.6 | Very low | 30.7 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 93% | 0.928 | 76% | 0.756 | S | S | * | * | trans | 89.2 | 154.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 372 | G | 31.4 | Very low | 30.8 | Very low | 67 Ų | 67 | 125.9 Ų | 125.9 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | cis | 170.6 | 169.8 | -8.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 373 | S | 34.4 | Very low | 31.6 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 65.3 | 149.6 | 163.3 | 51 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 374 | E | 32.1 | Very low | 31.6 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -169.7 | 152.8 | -16.9 | -108.2 | -169.8 | 141.9 | 0 | 0 | 112.8 | ||||
| 375 | N | 30.2 | Very low | 31.9 | Very low | 109 Ų | 109 | 126 Ų | 126 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | trans | 52.4 | 158.2 | 138.7 | -63.5 | -31.3 | 0 | 0 | 0 | 123.4 | ||||
| 376 | Q | 31.8 | Very low | 32 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | cis | -167.2 | 148.6 | -8.9 | -110.8 | 168.4 | 45.8 | 0 | 0 | 112.9 | ||||
| 377 | Q | 29.2 | Very low | 32.5 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | trans | 56.8 | 156.6 | 146.6 | -58.6 | 168 | -6.4 | 0 | 0 | 120.2 | ||||
| 378 | Y | 30.1 | Very low | 32.6 | Very low | 207 Ų | 207 | 128.1 Ų | 128.1 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | cis | -149 | -175.9 | 34.5 | -99.9 | -84.4 | 0 | 0 | 0 | 115.3 | ||||
| 379 | S | 32 | Very low | 32.8 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -79.1 | -172.5 | -170.4 | -50.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 380 | V | 32.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -161.4 | 151.4 | 28.3 | -167.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 381 | H | 33.9 | Very low | 33.3 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | 134.9 | 155.6 | 145.9 | -77.8 | 95.4 | 0 | 0 | 0 | 117.6 | ||||
| 382 | S | 30.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -147.3 | -162.7 | -166.7 | -33.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 383 | P | 45.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | cis | -111.6 | -141 | 8.5 | 28.1 | -2.8 | 0 | 0 | 0 | 111.6 | ||||
| 384 | H | 32.6 | Very low | 33.3 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | cis | -172.7 | 140.3 | 5.6 | -150.6 | -141.9 | 0 | 0 | 0 | 106.2 | ||||
| 385 | L | 32.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | cis | -129.5 | 162.4 | -12.8 | -77.5 | 170.1 | 0 | 0 | 0 | 106.4 | ||||
| 386 | H | 31.2 | Very low | 33.5 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | cis | 85.7 | 123.7 | 33.6 | -73.2 | -104.2 | 0 | 0 | 0 | 116.4 | ||||
| 387 | P | 41.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -117.6 | -176.2 | -169.2 | 44.5 | -35.2 | 0 | 0 | 0 | 115 | ||||
| 388 | S | 33.1 | Very low | 33.8 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 147.5 | 161.8 | 140.4 | -65.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 389 | T | 33.6 | Very low | 34.2 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | trans | -92.2 | -175.6 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 390 | P | 39.9 | Very low | 34.3 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -144.6 | 174 | 10.3 | 44.5 | -24.5 | 0 | 0 | 0 | 119.8 | ||||
| 391 | S | 31 | Very low | 34.3 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 34.1 | 118.6 | 145.4 | -55.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 392 | A | 32.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -169.4 | 171.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 393 | M | 30.9 | Very low | 34.6 | Very low | 177 Ų | 177 | 131 Ų | 131 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -148.2 | -179.6 | -172.2 | -50.9 | -175.7 | 178.8 | 0 | 0 | 110.8 | ||||
| 394 | N | 32.9 | Very low | 34.1 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | cis | -160.8 | 159.1 | 11.3 | -152.9 | -3.5 | 0 | 0 | 0 | 115.3 | ||||
| 395 | S | 32.8 | Very low | 34.1 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | trans | 66.4 | 129.6 | 139 | 65.8 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 396 | N | 34.4 | Very low | 34.2 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -166.2 | 163.4 | 139.9 | -109.3 | -107.1 | 0 | 0 | 0 | 107.1 | ||||
| 397 | L | 32.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | cis | -178.3 | 165.2 | -38.4 | -127.3 | 71.6 | 0 | 0 | 0 | 105.6 | ||||
| 398 | R | 34.8 | Very low | 34.2 | Very low | 204 Ų | 204 | 126.5 Ų | 126.5 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | cis | -167.1 | 137.9 | -3.6 | -168.3 | -160.4 | -58.3 | 139.2 | 2.5 | 108.2 | ||||
| 399 | I | 37.3 | Very low | 34.1 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 173.9 | 129.8 | 133.5 | -95.8 | 166 | 0 | 0 | 0 | 113.6 | ||||
| 400 | L | 34.2 | Very low | 34 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | 24.2 | 137.7 | 163.9 | -73.1 | 76.2 | 0 | 0 | 0 | 122.1 | ||||
| 401 | G | 32.6 | Very low | 33.7 | Very low | 61 Ų | 61 | 129.3 Ų | 129.3 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | cis | 165.3 | 163.9 | -9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 402 | T | 38.3 | Very low | 33.7 | Very low | 143 Ų | 143 | 127 Ų | 127 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | 64.1 | 150.3 | 159.6 | 54.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 403 | S | 33.2 | Very low | 33.7 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | 175.7 | 155.1 | -23.7 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 404 | S | 34.4 | Very low | 33.9 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | cis | -179.6 | 126 | -25 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 405 | T | 33.3 | Very low | 33.9 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 84.5 | 139.5 | 136.2 | -46.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 406 | T | 33.7 | Very low | 34 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | 83.6 | 166.4 | 154.7 | 33.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 407 | T | 30.5 | Very low | 34.1 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -131.5 | -167.1 | -163.1 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 408 | P | 41.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | -126.8 | -173.7 | -57.3 | 35.3 | -17.8 | 0 | 0 | 0 | 114 | |||||
| 409 | T | 31.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 127.3 | 114.6 | 144.4 | -52.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 410 | F | 30.9 | Very low | 34.9 | Very low | 199 Ų | 199 | 125 Ų | 125 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | trans | 47.9 | 137.7 | 149.8 | -90 | -99.6 | 0 | 0 | 0 | 127.4 | ||||
| 411 | A | 33.5 | Very low | 34.6 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | 73.5 | 140.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 412 | G | 30.7 | Very low | 34.5 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -164.2 | -52.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 413 | I | 33.7 | Very low | 34 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | 74.8 | 139.4 | 175 | -65.2 | 171.3 | 0 | 0 | 0 | 119 | ||||
| 414 | N | 34.6 | Very low | 33.7 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 70.1 | 146.9 | 162.1 | -76 | -18.5 | 0 | 0 | 0 | 121.6 | ||||
| 415 | N | 32.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | cis | -167.6 | 166.9 | -34.7 | -136.9 | -24.3 | 0 | 0 | 0 | 113 | ||||
| 416 | N | 34.4 | Very low | 33.1 | Very low | 129 Ų | 129 | 134 Ų | 134 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 104 | 136.8 | 162 | -56.9 | -20.9 | 0 | 0 | 0 | 119.6 | ||||
| 417 | N | 37.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 64.1 | 85.2 | 165.6 | -57.2 | -3.8 | 0 | 0 | 0 | 116.1 | ||||
| 418 | L | 34.1 | Very low | 32.9 | Very low | 151 Ų | 151 | 132 Ų | 132 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | cis | 71.5 | 147.1 | 40.2 | -60.3 | 159.3 | 0 | 0 | 0 | 114.9 | ||||
| 419 | P | 42.8 | Very low | 32.3 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -143 | -159.9 | -33.3 | 44.3 | -24.6 | 0 | 0 | 0 | 112.3 | ||||
| 420 | P | 44.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | -140.1 | 178.4 | -90.6 | 45 | -26 | 0 | 0 | 0 | 116.1 | |||||
| 421 | N | 27.8 | Very low | 32 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -86 | 144.6 | 146.1 | -105.4 | -58.9 | 0 | 0 | 0 | 108.9 | ||||
| 422 | L | 31 | Very low | 31.7 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | trans | -118.1 | 139.8 | 174.9 | -162.3 | 70.6 | 0 | 0 | 0 | 111.5 | ||||
| 423 | M | 27.5 | Very low | 31.5 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | -104.5 | 159.8 | -165.8 | -62.3 | 166.3 | 54.7 | 0 | 0 | 114 | ||||
| 424 | S | 27.4 | Very low | 31.6 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | trans | 52.9 | 106.3 | 138.8 | 63.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 425 | N | 28.6 | Very low | 31.2 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | -139.8 | 141.1 | 122.5 | -81.8 | -60.5 | 0 | 0 | 0 | 105.6 | |||||
| 426 | L | 26.2 | Very low | 31.1 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | cis | 55.8 | 71.8 | 23.5 | -70.2 | 179.6 | 0 | 0 | 0 | 114.3 | ||||
| 427 | N | 28.9 | Very low | 30.8 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | -167.5 | 162.6 | 101.8 | -136.6 | -24.2 | 0 | 0 | 0 | 114.8 | |||||
| 428 | A | 30.3 | Very low | 30.4 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 54% | 0.537 | 74% | 0.743 | S | S | . | * | trans | 62.3 | 96.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 429 | N | 29 | Very low | 30.3 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | 84.7 | 125.6 | 104.8 | -68.8 | -4.3 | 0 | 0 | 0 | 124.6 | |||||
| 430 | F | 28.8 | Very low | 29.9 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 77% | 0.768 | 74% | 0.738 | S | S | * | * | trans | 64.6 | 107.1 | 131.4 | -62.2 | -50.2 | 0 | 0 | 0 | 123.1 | ||||
| 431 | S | 28.3 | Very low | 29.5 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | 49.8 | 122.7 | 104.7 | -51.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 432 | N | 27.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | 81.6 | 131.6 | 126.8 | -77.4 | -13.6 | 0 | 0 | 0 | 123.6 | |||||
| 433 | L | 25.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | trans | 75.7 | 156.7 | 143.5 | -94.5 | 72.2 | 0 | 0 | 0 | 120.2 | ||||
| 434 | P | 36.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -105.8 | -176.2 | -174.5 | 42.5 | -36.4 | 0 | 0 | 0 | 113.9 | ||||
| 435 | S | 27.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | trans | 89.2 | 172.1 | 156.1 | 83 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 436 | M | 29.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | trans | 71.4 | 126.8 | -170.1 | -48.6 | -51.5 | 160.5 | 0 | 0 | 114.7 | ||||
| 437 | I | 28.1 | Very low | 31.6 | Very low | 143 Ų | 143 | 122 Ų | 122 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | cis | 83.2 | 115.3 | 21.9 | -47.4 | 175.5 | 0 | 0 | 0 | 114.1 | ||||
| 438 | T | 29.4 | Very low | 32 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | trans | 77.4 | 134.1 | 169.6 | -0.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 439 | S | 31.4 | Very low | 32.3 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | trans | 62.1 | 140.2 | 145.8 | 45.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 440 | S | 34.1 | Very low | 32.5 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | cis | -173.8 | 140.5 | -7.8 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 441 | H | 37.3 | Very low | 32.8 | Very low | 163 Ų | 163 | 122.5 Ų | 122.5 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | trans | 59.9 | 151.2 | 164.5 | -65.3 | -67.2 | 0 | 0 | 0 | 117.1 | ||||
| 442 | Q | 34.4 | Very low | 33.1 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | cis | -151.2 | 161.4 | -0.2 | -128.5 | 171.1 | -111.4 | 0 | 0 | 108.6 | ||||
| 443 | Q | 36.6 | Very low | 33.4 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 56% | 0.556 | 67% | 0.665 | S | S | * | * | cis | 74.9 | 134.2 | 20.3 | -96.9 | -156 | -23.6 | 0 | 0 | 116.3 | ||||
| 444 | Q | 37.5 | Very low | 33.8 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 61% | 0.607 | 66% | 0.661 | S | S | * | * | cis | -134.5 | 160 | 2.1 | -73.2 | -174.1 | 19.1 | 0 | 0 | 110.1 | ||||
| 445 | Q | 34.2 | Very low | 33.7 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | cis | 90.1 | 132 | 16.8 | -171.5 | -166.9 | 0 | 0 | 0 | 114.6 | N967 | Q445-N967 CarbonylContact C-O 3.45Š| ||
| 446 | I | 36.2 | Very low | 33.9 | Very low | 63 Ų | 63 | 124.8 Ų | 124.8 | 32% | 0.323 | 66% | 0.657 | S | S | . | * | trans | 158.7 | 123.3 | 139.9 | -85.3 | 158.4 | 0 | 0 | 0 | 116.2 | N967 N968 | I446-N967 PolarHBondContact N-O 3.06Å; I446-N967 CarbonylContact O-C 3.33Å; I446-N967 VanDerWaalsContact O-CA 3.25Å; I446-N967 WeakPolarHBondContact O-CA 3.46Å; I446-N967 PolarHBondContact O-OD1 2.84Å; I446-N968 CarbonylContact O-C 3.52Å; I446-N968 WeakPolarHBondContact O-CA 3.47Å; I446-N968 PolarHBondContact O-N 3.48Å | ||
| 447 | S | 34.4 | Very low | 34.1 | Very low | 62 Ų | 62 | 124.2 Ų | 124.2 | 43% | 0.434 | 65% | 0.652 | S | S | . | * | trans | 46.9 | 173.3 | 147.6 | -59.2 | 0 | 0 | 0 | 0 | 120.3 | N968 L969 | S447-N968 CarbonylContact O-C 3.53Å; S447-N968 VanDerWaalsContact O-C 3.26Å; S447-N968 WeakPolarHBondContact O-CA 3.38Å; S447-L969 VanDerWaalsContact C-CB 3.44Å; S447-L969 WeakPolarHBondContact O-CB 3.15Å; S447-L969 PolarHBondContact O-N 2.75Å | ||
| 448 | Q | 37.1 | Very low | 34.3 | Very low | 89 Ų | 89 | 124 Ų | 124 | 42% | 0.416 | 65% | 0.648 | S | S | . | * | cis | -159.5 | -176.4 | 31.9 | -24.8 | 178.8 | 20.3 | 0 | 0 | 109.8 | N967 | Q448-N967 PolarHBondContact NE2-OD1 3.43Š| ||
| 449 | R | 35.6 | Very low | 34.4 | Very low | 199 Ų | 199 | 127.5 Ų | 127.5 | 75% | 0.751 | 65% | 0.649 | S | S | * | * | cis | -165.9 | 152.9 | -15.4 | -138.9 | -170.1 | -86.1 | -132.2 | -1.9 | 110.7 | ||||
| 450 | T | 34.4 | Very low | 34.5 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | trans | 59.9 | 142.3 | 153.8 | 45.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 451 | T | 34.9 | Very low | 34.6 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | cis | -160.9 | -171.5 | 14.4 | -5.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 452 | S | 33.3 | Very low | 34.5 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | cis | -171.4 | 162.4 | -2.9 | 39.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 453 | S | 33.8 | Very low | 34.5 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 74% | 0.741 | 60% | 0.604 | S | S | * | * | trans | 69.6 | 140.3 | 163.7 | -104.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 454 | Q | 35.3 | Very low | 34.2 | Very low | 159 Ų | 159 | 120.4 Ų | 120.4 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | cis | -155.8 | 122.9 | -2.4 | -154.7 | 168.5 | 31.9 | 0 | 0 | 113.2 | ||||
| 455 | H | 33.3 | Very low | 33.8 | Very low | 150 Ų | 150 | 121.6 Ų | 121.6 | 69% | 0.694 | 60% | 0.603 | S | S | * | * | trans | 61 | 148.8 | 157.8 | -72.8 | -130 | 0 | 0 | 0 | 119.3 | ||||
| 456 | H | 32.4 | Very low | 33.5 | Very low | 127 Ų | 127 | 119 Ų | 119 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | cis | -139.5 | -86.8 | 14.5 | -130 | -56.1 | 0 | 0 | 0 | 116.2 | ||||
| 457 | H | 32.9 | Very low | 33.2 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | trans | -154.2 | 162.6 | -148 | -78.9 | -6.3 | 0 | 0 | 0 | 114.8 | ||||
| 458 | H | 32.4 | Very low | 33.2 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | cis | -173.7 | 161.8 | -30.7 | -102.9 | -3.6 | 0 | 0 | 0 | 113 | ||||
| 459 | Y | 31.8 | Very low | 32.6 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | trans | 29.3 | 125.1 | 157.7 | -72.3 | -103 | 0 | 0 | 0 | 122.9 | ||||
| 460 | H | 33.7 | Very low | 32.2 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 67% | 0.671 | 66% | 0.658 | S | S | * | * | 75.2 | 137.9 | 62.7 | -97.5 | 15.9 | 0 | 0 | 0 | 114.9 | |||||
| 461 | Q | 35 | Very low | 31.7 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 38% | 0.379 | 66% | 0.663 | S | S | . | * | cis | -168.5 | 169.4 | -0.5 | -160.9 | 157.8 | 40.7 | 0 | 0 | 109.8 | I998 K999 | Q461-I998 PolarHBondContact NE2-O 3.47Å; Q461-K999 VanDerWaalsContact CD-CB 3.42Å; Q461-K999 HydrophobicContact CG-CB 4.03Å; Q461-K999 WeakPolarHBondContact CG-O 3.4Å | ||
| 462 | Q | 35.1 | Very low | 31.4 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 52% | 0.519 | 67% | 0.668 | S | S | . | * | trans | 163 | 180 | 156.1 | -89.3 | -64.6 | 98.7 | 0 | 0 | 112.3 | K999 S1000 N1001 | Q462-K999 CarbonylContact C-O 3.26Å; Q462-S1000 PolarHBondContact NE2-O 3.23Å; Q462-S1000 PolarHBondContact OE1-O 3.08Å; Q462-S1000 PolarHBondContact OE1-OG 3.23Å; Q462-N1001 PolarHBondContact NE2-O 2.6Å | ||
| 463 | H | 34.1 | Very low | 30.9 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 39% | 0.389 | 67% | 0.671 | S | S | . | * | B | Isolated β-bridge | trans | -162.4 | 151.5 | -154.3 | -122.4 | 15.7 | 0 | 0 | 0 | 115.5 | K999 S1000 | H463-K999 PolarHBondContact CE1-N 3.25Å; H463-K999 PolarHBondContact ND1-O 3.21Å; H463-K999 WeakPolarHBondContact NE2-CA 3.32Å; H463-K999 PolarHBondContact NE2-N 2.87Å; H463-S1000 VanDerWaalsContact CB-N 3.31Å; H463-S1000 WeakPolarHBondContact CB-O 3.23Å; H463-S1000 PolarHBondContact CD2-N 3.19Å; H463-S1000 PolarHBondContact N-O 3.19Å; H463-S1000 VanDerWaalsContact N-O 3.11Å |
| 464 | L | 31.1 | Very low | 30.6 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 38% | 0.382 | 67% | 0.674 | S | S | . | * | trans | 87.1 | 120 | 135 | -70.6 | 168.2 | 0 | 0 | 0 | 124.5 | N1001 | L464-N1001 VanDerWaalsContact CB-OD1 3.27Å; L464-N1001 WeakPolarHBondContact CB-OD1 3.34Å; L464-N1001 HydrophobicContact CD1-CB 4.43Å; L464-N1001 WeakPolarHBondContact CD1-ND2 3.28Å; L464-N1001 WeakPolarHBondContact CD1-OD1 3.29Å | ||
| 465 | M | 28.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | trans | 74.7 | 137.1 | 135.5 | -57 | -91.8 | 142.5 | 0 | 0 | 119.5 | ||||
| 466 | S | 27.4 | Very low | 30.1 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 52% | 0.524 | 68% | 0.679 | S | S | . | * | cis | -169.6 | 160.5 | -11 | -104.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 467 | F | 29.8 | Very low | 29.8 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 88% | 0.882 | 68% | 0.679 | S | S | * | * | trans | 67.9 | 152.2 | 171.7 | -60.4 | -62.8 | 0 | 0 | 0 | 115.4 | ||||
| 468 | P | 34.9 | Very low | 29.8 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | -143.9 | -147.7 | 55.6 | 44.4 | -22.9 | 0 | 0 | 0 | 115.9 | |||||
| 469 | S | 25.1 | Very low | 29.6 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | -80.6 | 161.2 | -159.9 | -46.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 470 | S | 26.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | trans | 63.9 | 135 | 142.7 | 55.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 471 | T | 24.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | 55.1 | 113.7 | 160.2 | 55.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 472 | M | 27 | Very low | 29.4 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 90% | 0.901 | 71% | 0.708 | S | S | * | * | -167.6 | 159.2 | 113 | -105 | -161.4 | 76.2 | 0 | 0 | 112 | |||||
| 473 | E | 24.4 | Very low | 29.5 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -76.2 | 140.5 | 168.8 | -63.4 | 174.7 | 103.2 | 0 | 0 | 111.9 | ||||
| 474 | F | 26.9 | Very low | 29.5 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 79% | 0.789 | 74% | 0.739 | S | S | * | * | trans | 44.6 | 140.3 | 142.4 | -92.4 | -81.5 | 0 | 0 | 0 | 124 | ||||
| 475 | N | 27.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 136 Ų | 136 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | trans | 75.7 | 114 | 153.4 | -65.6 | -46.2 | 0 | 0 | 0 | 120 | ||||
| 476 | K | 29.3 | Very low | 29.8 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | -158.5 | 98.1 | 113.8 | -107.7 | 156 | -170.3 | 166.4 | 0 | 116 | |||||
| 477 | S | 27.8 | Very low | 29.7 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | trans | -7 | 144.6 | 133.7 | 5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 478 | I | 31.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | 74.2 | 130 | 130.1 | -62.3 | 163.5 | 0 | 0 | 0 | 120.6 | ||||
| 479 | S | 28.2 | Very low | 29.5 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -153.5 | 162.8 | 138.9 | 61 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 480 | T | 33.3 | Very low | 30 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | -130.4 | 159.6 | 9.3 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 481 | I | 32.2 | Very low | 30.5 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | cis | 84.1 | 102.6 | 19.1 | -52.2 | 174.8 | 0 | 0 | 0 | 115.6 | ||||
| 482 | D | 32.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | -176.2 | 142.9 | 127.4 | -102 | -20.4 | 0 | 0 | 0 | 109.4 | |||||
| 483 | H | 36.4 | Very low | 31.3 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | cis | -138.6 | -145.2 | -8.3 | -155 | 73.6 | 0 | 0 | 0 | 110 | ||||
| 484 | S | 34.9 | Very low | 31.9 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -155.1 | 163.9 | 179.8 | 74.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 485 | G | 32.5 | Very low | 31.9 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | -169.7 | 77.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 486 | R | 31.9 | Very low | 32.1 | Very low | 240 Ų | 240 | 125.7 Ų | 125.7 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | trans | 40.1 | 105.9 | 160.4 | -72.1 | -174.5 | 172.4 | 178.6 | -1.2 | 122.2 | ||||
| 487 | C | 26.5 | Very low | 32.1 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 82% | 0.824 | 68% | 0.682 | S | S | * | * | trans | 33.7 | 121.5 | 133 | -54.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 488 | S | 27.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | 179.4 | 153.7 | 114.9 | -73.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 489 | H | 31.9 | Very low | 32.7 | Very low | 188 Ų | 188 | 118.4 Ų | 118.4 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | trans | 65.6 | 171.4 | 165.4 | -67 | -74.1 | 0 | 0 | 0 | 122 | ||||
| 490 | I | 35.7 | Very low | 33.2 | Very low | 147 Ų | 147 | 120.6 Ų | 120.6 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -176 | 166.2 | -168.6 | -106 | 165.4 | 0 | 0 | 0 | 107.5 | ||||
| 491 | P | 38.3 | Very low | 33.3 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 46% | 0.455 | 68% | 0.683 | S | S | . | * | cis | -118.1 | -117.1 | 11.7 | 30.9 | -4.2 | 0 | 0 | 0 | 112.6 | N493 | P491-N493 WeakPolarHBondContact CB-OD1 3.24Š| ||
| 492 | P | 39 | Very low | 33.2 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | cis | -141.7 | 87.2 | -3.9 | 41.3 | -15.8 | 0 | 0 | 0 | 120.2 | ||||
| 493 | N | 28.8 | Very low | 32.8 | Very low | 45 Ų | 45 | 118.5 Ų | 118.5 | 24% | 0.241 | 68% | 0.68 | C | S | . | * | 74.7 | 0 | 105.5 | -73.9 | 54.8 | 0 | 0 | 0 | 128.9 | P491 A506 L507 | P491-N493 WeakPolarHBondContact CB-OD1 3.24Å; N493-A506 VanDerWaalsContact CA-C 3.5Å; N493-A506 VanDerWaalsContact CA-CA 3.5Å; N493-A506 VanDerWaalsContact CA-CB 3.48Å; N493-A506 HydrophobicContact CB-CB 3.83Å; N493-A506 PolarHBondContact ND2-O 3.42Å; N493-L507 HydrophobicContact CB-CD2 4.22Å; N493-L507 VanDerWaalsContact CB-N 3.26Å; N493-L507 VanDerWaalsContact O-CD2 3.31Å; N493-L507 WeakPolarHBondContact O-CD2 3.44Å; N493-L507 VanDerWaalsContact O-CG 3.29Å; N493-L507 WeakPolarHBondContact O-CG 3.27Å; N493-L507 PolarHBondContact O-N 3.2Å; N493-L507 VanDerWaalsContact O-N 3.08Å | |||
| 494 | P | 37.4 | Very low | 32.4 | Very low | 86 Ų | 86 | 111.2 Ų | 111.2 | 56% | 0.558 | 65% | 0.65 | S | S | * | * | 0 | -31.1 | 0 | 4 | -0.6 | 0 | 0 | 0 | 115.2 | S505 A506 L507 | P494-S505 VanDerWaalsContact CA-C 3.48Å; P494-S505 VanDerWaalsContact CB-CB 3.45Å; P494-S505 VanDerWaalsContact CD-O 3.28Å; P494-S505 WeakPolarHBondContact CD-O 3.42Å; P494-S505 VanDerWaalsContact CG-O 3.25Å; P494-S505 WeakPolarHBondContact CG-O 3.47Å; P494-A506 HydrophobicContact CB-CB 2.74Å; P494-A506 HydrophobicContact CG-CB 3.64Å; P494-L507 VanDerWaalsContact N-N 3.14Å | |||
| 495 | M | 27.3 | Very low | 32.1 | Very low | 121 Ų | 121 | 107.8 Ų | 107.8 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | cis | -155.3 | 143.8 | -19.2 | -149.6 | 121.8 | -167.8 | 0 | 0 | 111 | S505 | M495-S505 VanDerWaalsContact CA-CB 3.47Å; M495-S505 WeakPolarHBondContact CA-OG 3.3Å; M495-S505 WeakPolarHBondContact CG-O 3.38Å; M495-S505 PolarHBondContact N-OG 3.42Å | ||
| 496 | T | 31.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 105.9 Ų | 105.9 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | cis | -138.5 | -149.4 | 1.7 | -25 | 0 | 0 | 0 | 0 | 115 | G504 S505 | T496-G504 VanDerWaalsContact C-CA 3.43Å; T496-G504 CarbonylContact C-O 3.55Å; T496-G504 VanDerWaalsContact C-O 3.32Å; T496-G504 VanDerWaalsContact CA-O 3.23Å; T496-G504 WeakPolarHBondContact CA-O 3.42Å; T496-G504 WeakPolarHBondContact O-CA 3.44Å; T496-S505 WeakPolarHBondContact CA-OG 3.2Å; T496-S505 PolarHBondContact N-OG 2.74Å; T496-S505 PolarHBondContact O-OG 2.73Å | ||
| 497 | S | 28.4 | Very low | 31.8 | Very low | 59 Ų | 59 | 100.3 Ų | 100.3 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | trans | -130.4 | 154.2 | -159 | 61.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 498 | N | 35.3 | Very low | 32.2 | Very low | 104 Ų | 104 | 99 Ų | 99 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | trans | 152.3 | 166 | 131.7 | -89.2 | -56.1 | 0 | 0 | 0 | 115.9 | S501 | N498-S501 PolarHBondContact OD1-N 2.84Š| ||
| 499 | V | 36.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 99.5 Ų | 99.5 | 81% | 0.806 | 57% | 0.566 | S | S | * | * | S | Bend | cis | -131.9 | 139.2 | 5.6 | -126.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 500 | I | 38.3 | Very low | 32.5 | Very low | 144 Ų | 144 | 94.9 Ų | 94.9 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | S | Bend | cis | -109.1 | 142.4 | -8.2 | -32.3 | -173.6 | 0 | 0 | 0 | 108.8 | ||
| 501 | S | 36.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 93.8 Ų | 93.8 | 74% | 0.741 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 60.1 | 50.8 | 168.3 | -53.2 | 0 | 0 | 0 | 0 | 118 | N498 | N498-S501 PolarHBondContact OD1-N 2.84Š|
| 502 | P | 30.1 | Very low | 32 | Very low | 67 Ų | 67 | 97.6 Ų | 97.6 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | trans | -77.2 | 173.2 | 169.4 | 35.9 | -37.4 | 0 | 0 | 0 | 112.1 | G504 | P502-G504 PolarHBondContact O-N 2.82Š| ||
| 503 | L | 24.5 | Very low | 31.6 | Very low | 184 Ų | 184 | 104.1 Ų | 104.1 | 96% | 0.963 | 58% | 0.584 | S | S | * | * | trans | -71.2 | 49 | 160.9 | -119 | 77.5 | 0 | 0 | 0 | 112.2 | S505 | L503-S505 PolarHBondContact O-N 3.08Š| ||
| 504 | G | 26.2 | Very low | 31.6 | Very low | 16 Ų | 16 | 105.4 Ų | 105.4 | 17% | 0.165 | 61% | 0.608 | C | S | . | * | trans | -75.6 | 57.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T496 P502 | T496-G504 VanDerWaalsContact C-CA 3.43Å; T496-G504 CarbonylContact C-O 3.55Å; T496-G504 VanDerWaalsContact C-O 3.32Å; T496-G504 VanDerWaalsContact CA-O 3.23Å; T496-G504 WeakPolarHBondContact CA-O 3.42Å; T496-G504 WeakPolarHBondContact O-CA 3.44Å; P502-G504 PolarHBondContact O-N 2.82Å | ||
| 505 | S | 30.4 | Very low | 31.3 | Very low | 39 Ų | 39 | 113 Ų | 113 | 27% | 0.273 | 63% | 0.625 | S | S | . | * | 68 | 166.5 | 114.4 | 63.5 | 0 | 0 | 0 | 0 | 121.2 | P494 M495 T496 L503 | P494-S505 VanDerWaalsContact CA-C 3.48Å; P494-S505 VanDerWaalsContact CB-CB 3.45Å; P494-S505 VanDerWaalsContact CD-O 3.28Å; P494-S505 WeakPolarHBondContact CD-O 3.42Å; P494-S505 VanDerWaalsContact CG-O 3.25Å; P494-S505 WeakPolarHBondContact CG-O 3.47Å; M495-S505 VanDerWaalsContact CA-CB 3.47Å; M495-S505 WeakPolarHBondContact CA-OG 3.3Å; M495-S505 WeakPolarHBondContact CG-O 3.38Å; M495-S505 PolarHBondContact N-OG 3.42Å; T496-S505 WeakPolarHBondContact CA-OG 3.2Å; T496-S505 PolarHBondContact N-OG 2.74Å; T496-S505 PolarHBondContact O-OG 2.73Å; L503-S505 PolarHBondContact O-N 3.08Å | |||
| 506 | A | 27.2 | Very low | 31.5 | Very low | 36 Ų | 36 | 118.4 Ų | 118.4 | 30% | 0.298 | 64% | 0.639 | S | S | . | * | -98.4 | -17.5 | -72.9 | 0 | 0 | 0 | 0 | 0 | 132.8 | N493 P494 N508 | N493-A506 VanDerWaalsContact CA-C 3.5Å; N493-A506 VanDerWaalsContact CA-CA 3.5Å; N493-A506 VanDerWaalsContact CA-CB 3.48Å; N493-A506 HydrophobicContact CB-CB 3.83Å; N493-A506 PolarHBondContact ND2-O 3.42Å; P494-A506 HydrophobicContact CB-CB 2.74Å; P494-A506 HydrophobicContact CG-CB 3.64Å; A506-N508 PolarHBondContact O-N 3.08Å | |||
| 507 | L | 31 | Very low | 31.5 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | trans | -34.9 | 128.8 | 168.6 | -57.3 | -177.3 | 0 | 0 | 0 | 114.5 | N493 P494 | N493-L507 HydrophobicContact CB-CD2 4.22Å; N493-L507 VanDerWaalsContact CB-N 3.26Å; N493-L507 VanDerWaalsContact O-CD2 3.31Å; N493-L507 WeakPolarHBondContact O-CD2 3.44Å; N493-L507 VanDerWaalsContact O-CG 3.29Å; N493-L507 WeakPolarHBondContact O-CG 3.27Å; N493-L507 PolarHBondContact O-N 3.2Å; N493-L507 VanDerWaalsContact O-N 3.08Å; P494-L507 VanDerWaalsContact N-N 3.14Å | ||
| 508 | N | 34.3 | Very low | 31.5 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 51% | 0.508 | 67% | 0.666 | S | S | . | * | S | Bend | cis | -145.8 | 137.1 | -18.1 | -129.3 | -19.4 | 0 | 0 | 0 | 110.3 | A506 | A506-N508 PolarHBondContact O-N 3.08Š|
| 509 | Q | 35.3 | Very low | 31.1 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 56% | 0.561 | 68% | 0.682 | S | S | * | * | trans | 49.5 | 109.2 | 154 | -65.8 | 159 | 49.8 | 0 | 0 | 118.2 | ||||
| 510 | S | 30.9 | Very low | 30.7 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | 63 | 134.9 | 69.9 | 79.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 511 | C | 29.1 | Very low | 30.4 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 83% | 0.831 | 68% | 0.681 | S | S | * | * | cis | -145.8 | 175.4 | 42.2 | -81.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 512 | I | 34.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 128 Ų | 128 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -117.9 | 142.4 | -174 | -68.4 | 173.3 | 0 | 0 | 0 | 111.2 | ||||
| 513 | R | 29.9 | Very low | 30.8 | Very low | 246 Ų | 246 | 130.1 Ų | 130.1 | 93% | 0.928 | 70% | 0.7 | S | S | * | * | trans | 44.2 | 128.6 | 162 | -69.6 | 170.2 | 174.6 | 170.1 | -1.6 | 120.1 | ||||
| 514 | G | 28.8 | Very low | 31 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | 132.8 | 103.5 | 112.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 515 | R | 32.3 | Very low | 31.5 | Very low | 245 Ų | 245 | 137.8 Ų | 137.8 | 93% | 0.925 | 72% | 0.723 | S | S | * | * | trans | 44.3 | 115.6 | 150.3 | -62.3 | -178.5 | 176 | -170.7 | -1.3 | 119.3 | ||||
| 516 | R | 31.7 | Very low | 31.6 | Very low | 235 Ų | 235 | 142.2 Ų | 142.2 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | -172 | 138.6 | 110.7 | -104.1 | 170.5 | -174.6 | -164.4 | 1.6 | 114.4 | |||||
| 517 | L | 30 | Very low | 31.8 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 29 | 126.7 | 142.4 | -65.1 | 167.5 | 0 | 0 | 0 | 122.1 | ||||
| 518 | A | 29 | Very low | 31.8 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | 86.9 | 90.6 | 127.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 519 | R | 27 | Very low | 31.5 | Very low | 238 Ų | 238 | 152.3 Ų | 152.3 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | 91.8 | 157.9 | 119.4 | -145.9 | 176.1 | -163.8 | 175.2 | 5.4 | 118.7 | |||||
| 520 | C | 28.7 | Very low | 31.5 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | 77.3 | 80.3 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 521 | T | 32.2 | Very low | 31.1 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | 81.2 | 116.6 | 82.8 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 522 | S | 36.6 | Very low | 31 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -70.7 | 150.1 | -171.1 | -35.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 523 | P | 38.3 | Very low | 30.6 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -92.9 | 125.9 | 154.7 | 33.7 | -26.6 | 0 | 0 | 0 | 110.5 | ||||
| 524 | R | 29 | Very low | 30.3 | Very low | 252 Ų | 252 | 149.5 Ų | 149.5 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | -99 | 90.5 | 160.6 | -163.9 | -177.4 | -163.1 | -142.5 | 4.7 | 108.4 | ||||
| 525 | T | 35.2 | Very low | 30.2 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 134.6 | 173.6 | 44.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 526 | T | 33.9 | Very low | 30.1 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 14 | 115.4 | 143.9 | 55.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 527 | G | 30.6 | Very low | 29.9 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | 108.7 | 149.5 | 73.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 528 | M | 32 | Very low | 30 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | cis | -121.3 | 129.2 | 10.5 | -63.1 | -179.3 | 60.9 | 0 | 0 | 110.5 | ||||
| 529 | W | 26.4 | Very low | 30.1 | Very low | 225 Ų | 225 | 140.5 Ų | 140.5 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | 63.1 | 143.2 | 96.3 | -63.7 | 97.4 | 0 | 0 | 0 | 115 | |||||
| 530 | P | 36 | Very low | 30.2 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 52% | 0.519 | 77% | 0.769 | S | S | . | * | cis | -144.6 | -177.7 | -38 | 40.1 | -23.2 | 0 | 0 | 0 | 114.5 | F532 | P530-F532 HydrophobicContact CG-CD2 4.48Å; P530-F532 PolarHBondContact O-N 2.88Å | ||
| 531 | T | 23.5 | Very low | 30.3 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63 | 121.8 | 150.1 | -31.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 532 | F | 26.4 | Very low | 30.3 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 133.5 | 168.5 | -113.3 | -94.1 | 0 | 0 | 0 | 109.9 | P530 | P530-F532 HydrophobicContact CG-CD2 4.48Å; P530-F532 PolarHBondContact O-N 2.88Å |
| 533 | N | 25 | Very low | 30.1 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 153.6 | 161.9 | -148.2 | -11.3 | 0 | 0 | 0 | 107.3 | ||
| 534 | L | 25 | Very low | 29.8 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 68.6 | 126.5 | 169.4 | -56.1 | 156.9 | 0 | 0 | 0 | 118.1 | ||
| 535 | I | 26.2 | Very low | 30 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 70.2 | 137.1 | 132.2 | -60.1 | 171.1 | 0 | 0 | 0 | 119 | ||||
| 536 | T | 30.4 | Very low | 29.8 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 59.6 | 106.8 | 167.2 | 45.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 537 | N | 25.8 | Very low | 30 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | -58.3 | 152.1 | 126 | -81.3 | -24.2 | 0 | 0 | 0 | 108.8 | |||||
| 538 | P | 33.5 | Very low | 29.8 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | cis | -124.7 | -171.8 | 35.5 | 25.9 | -2.5 | 0 | 0 | 0 | 112.9 | ||||
| 539 | G | 29.9 | Very low | 30.4 | Very low | 66 Ų | 66 | 143.2 Ų | 143.2 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | cis | 130.7 | 130 | -1.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 540 | N | 30.5 | Very low | 30.7 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 36.3 | 120.6 | 157 | -58.8 | 5.1 | 0 | 0 | 0 | 122.4 | ||||
| 541 | D | 29.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | S | Bend | -92.3 | 143.4 | 123.4 | -84.3 | -51.4 | 0 | 0 | 0 | 107.5 | |||
| 542 | R | 33 | Very low | 31.9 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | cis | -146.7 | 136.8 | -11.3 | -97.6 | 160.3 | -165 | -164.1 | -0.3 | 107 | ||||
| 543 | Q | 31.8 | Very low | 32.2 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | 52.3 | 124 | 83.1 | -55.6 | -177.9 | 0.5 | 0 | 0 | 111.9 | |||||
| 544 | H | 32.6 | Very low | 32.7 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | cis | -141 | 175.6 | 31.6 | -87.2 | -106.8 | 0 | 0 | 0 | 111.6 | ||||
| 545 | F | 32.6 | Very low | 33 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | cis | -144.3 | 165.6 | 7.5 | -118.7 | -62.5 | 0 | 0 | 0 | 111.2 | ||||
| 546 | T | 31.6 | Very low | 33.3 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | trans | -31.3 | 161.6 | 170.5 | 53.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 547 | Q | 37.1 | Very low | 33.2 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | cis | -160.5 | 175.8 | 42.5 | -140.2 | 151 | 110.6 | 0 | 0 | 114.7 | ||||
| 548 | L | 27.1 | Very low | 33.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -136.4 | 156.1 | -172.3 | -99.1 | 171.6 | 0 | 0 | 0 | 110.4 | ||||
| 549 | P | 45 | Very low | 33.1 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | -150.7 | 175.3 | 72.5 | 39.4 | -18.5 | 0 | 0 | 0 | 118.2 | |||||
| 550 | G | 31.3 | Very low | 33.1 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -109 | -147.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 551 | P | 48.5 | Very low | 33 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | cis | -129 | -179.9 | 4.1 | 42.3 | -24.5 | 0 | 0 | 0 | 114.4 | ||||
| 552 | S | 35.7 | Very low | 33 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | 171.7 | 151 | 82.8 | 44.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 553 | N | 34 | Very low | 33 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 54 | 145.1 | 150.8 | -60.7 | 2.7 | 0 | 0 | 0 | 122 | ||||
| 554 | S | 34.9 | Very low | 33.1 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | cis | -172.4 | 140.1 | -13.7 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 555 | D | 31.4 | Very low | 33 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 60.6 | 148.8 | 148.1 | -57.7 | -29.4 | 0 | 0 | 0 | 122.6 | ||||
| 556 | A | 32.5 | Very low | 33.1 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -161.1 | 133 | -20.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 557 | R | 29.1 | Very low | 33.1 | Very low | 226 Ų | 226 | 128 Ų | 128 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 15.8 | 134.3 | 138.7 | -68.2 | -169.5 | 170.2 | -167 | -4 | 121.5 | ||||
| 558 | I | 28.3 | Very low | 32.9 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | 63.8 | 133.3 | 74.4 | -62.5 | 165.6 | 0 | 0 | 0 | 113.6 | |||||
| 559 | G | 29.4 | Very low | 33.9 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | 156.9 | -177.7 | -4.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 560 | A | 29 | Very low | 33.3 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 60.8 | 99.8 | 157 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 561 | C | 27.6 | Very low | 33.4 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | 54.5 | 131.8 | 115.8 | -56.3 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 562 | S | 30.7 | Very low | 32.7 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | 106.1 | 142.7 | 136.7 | -63.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 563 | S | 32.8 | Very low | 32.7 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -131.8 | 174.9 | -174.1 | 53.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 564 | L | 33.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 122 Ų | 122 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | cis | -152 | 168.5 | 34.9 | -76.8 | 164.6 | 0 | 0 | 0 | 112.4 | ||||
| 565 | G | 31.2 | Very low | 32.7 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -161.7 | 149.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 566 | V | 34.2 | Very low | 32.7 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -142.3 | 132.4 | -166 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 567 | L | 32.6 | Very low | 32.6 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | 165.9 | 168.6 | 131.1 | -86.9 | 170.1 | 0 | 0 | 0 | 112.3 | ||||
| 568 | S | 31.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -146.8 | -177.5 | -172 | -136 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 569 | P | 48.5 | Very low | 33.5 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -158.1 | 176.7 | 43.2 | 45.5 | -23.1 | 0 | 0 | 0 | 121.5 | ||||
| 570 | N | 33.2 | Very low | 33.7 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 91.6 | 151 | 137.7 | -79.7 | -9 | 0 | 0 | 0 | 125.9 | ||||
| 571 | A | 32.4 | Very low | 33.6 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | 83.2 | 129 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 572 | V | 34.3 | Very low | 33.7 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | cis | -156 | 160.3 | -2.5 | -168.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 573 | G | 35.3 | Very low | 33.7 | Very low | 59 Ų | 59 | 123.5 Ų | 123.5 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | cis | 143.6 | 123.1 | -13.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 574 | S | 35.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 78.3 | 147.8 | 156.4 | -49.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 575 | T | 34.4 | Very low | 33.5 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | cis | -112.1 | -128.9 | 10.1 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 576 | C | 30.6 | Very low | 33.6 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | cis | -148.5 | -160.7 | 8.5 | -157.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 577 | S | 30.6 | Very low | 33.4 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -148.8 | -168.9 | -170.7 | -41.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 578 | P | 45.6 | Very low | 33.2 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | -130.5 | -166.8 | -123.1 | 37.1 | -13.1 | 0 | 0 | 0 | 116.4 | |||||
| 579 | I | 31 | Very low | 33 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 151.3 | 139.6 | 142.9 | -80.9 | 160.7 | 0 | 0 | 0 | 116.4 | ||||
| 580 | Q | 32.5 | Very low | 32.1 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 65.4 | 135.9 | 157.5 | -83.5 | 162.5 | 6 | 0 | 0 | 121.7 | ||||
| 581 | N | 27.9 | Very low | 32.3 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | 65.7 | 144.1 | 82.9 | -75.6 | 2 | 0 | 0 | 0 | 115.1 | |||||
| 582 | T | 30.4 | Very low | 32.6 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | cis | -169.2 | 146.5 | 0.9 | 21.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 583 | H | 29.1 | Very low | 32.7 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | 62 | 170.1 | 147.3 | -77.4 | -128 | 0 | 0 | 0 | 118.3 | ||||
| 584 | F | 31 | Very low | 32.5 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | cis | -151.5 | 155.5 | -1.1 | -115.9 | -43.4 | 0 | 0 | 0 | 105.5 | ||||
| 585 | S | 32.2 | Very low | 32.3 | Very low | 75 Ų | 75 | 135 Ų | 135 | 52% | 0.524 | 73% | 0.731 | S | S | . | * | cis | -146.1 | -156.2 | 0.7 | -60.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 586 | H | 32.1 | Very low | 32.1 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | cis | -142.8 | 167.6 | -1.2 | -86.8 | 123.3 | 0 | 0 | 0 | 106.6 | ||||
| 587 | S | 30.1 | Very low | 32.1 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | cis | 83.5 | 125.8 | 30.7 | 122.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 588 | R | 29.1 | Very low | 32.2 | Very low | 228 Ų | 228 | 139.3 Ų | 139.3 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | cis | -166.9 | 160.1 | 1.3 | -126.1 | 175 | -169.5 | -176.2 | 2.9 | 111.9 | ||||
| 589 | S | 28 | Very low | 31.5 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | trans | 1.6 | 154 | 145.9 | 57.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 590 | R | 29.7 | Very low | 31.4 | Very low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | cis | -167.8 | -173 | 28.7 | -122.9 | 154.2 | -167.2 | -108.4 | 3.5 | 110.2 | ||||
| 591 | P | 37.2 | Very low | 31.4 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | trans | -102 | 160.8 | -161.3 | 39.8 | -38.6 | 0 | 0 | 0 | 119.2 | ||||
| 592 | I | 37.4 | Very low | 31.6 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | trans | 44.1 | 125.1 | 138.1 | -59.3 | 173.6 | 0 | 0 | 0 | 118.1 | ||||
| 593 | P | 37.5 | Very low | 31.6 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | -141.9 | -176.2 | 57 | 36.4 | -14.7 | 0 | 0 | 0 | 117.5 | |||||
| 594 | G | 30.6 | Very low | 31.5 | Very low | 59 Ų | 59 | 137.4 Ų | 137.4 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | trans | -86.8 | -152.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 595 | Q | 31.6 | Very low | 31.4 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | cis | 179.6 | 162.8 | -12.8 | -108.7 | 154.4 | -104 | 0 | 0 | 108.1 | ||||
| 596 | F | 29.1 | Very low | 31.3 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | cis | -114.8 | -91 | -4.9 | -65.8 | -98.1 | 0 | 0 | 0 | 111.8 | ||||
| 597 | H | 31.1 | Very low | 31.1 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | cis | -163.7 | 153.7 | -8.4 | -141.3 | -65.4 | 0 | 0 | 0 | 111.4 | ||||
| 598 | N | 32.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 65.7 | 131.8 | 165 | -72.9 | -5.8 | 0 | 0 | 0 | 119.1 | ||||
| 599 | V | 31.1 | Very low | 31.5 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -151.2 | 171.8 | 3.3 | -105.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 600 | V | 30.1 | Very low | 32 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | cis | -120 | -130.9 | 15.1 | -147 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 601 | L | 31.8 | Very low | 32.1 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | cis | -147.7 | -165 | 4.1 | -137.1 | 171.1 | 0 | 0 | 0 | 109.2 | ||||
| 602 | T | 31.5 | Very low | 31.8 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | trans | -102.7 | 138.3 | -160.5 | 47.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 603 | H | 30.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 59.2 | 113.8 | 138.3 | -63.6 | -54.9 | 0 | 0 | 0 | 122.9 | ||||
| 604 | S | 27.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | 69.2 | 137.9 | 116.2 | -52.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 605 | L | 29.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | 74 | 113.5 | 151.2 | -71.7 | 166.8 | 0 | 0 | 0 | 121.3 | ||||
| 606 | S | 29.1 | Very low | 31.4 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | trans | 53.9 | 140.2 | 130.6 | 69.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 607 | T | 29 | Very low | 31.5 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | trans | 83.5 | 143.2 | 150.3 | -52.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 608 | A | 38.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | trans | -92.7 | 158.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 609 | G | 28.1 | Very low | 31.6 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -150.8 | 107.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 610 | Y | 39.9 | Very low | 31.7 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | trans | -104.8 | 136.1 | 171.8 | -97.7 | -92.2 | 0 | 0 | 0 | 110.4 | ||||
| 611 | T | 31 | Very low | 31.5 | Very low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -157.5 | 147.4 | 158.1 | 34 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 612 | R | 29.9 | Very low | 31.3 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -148.6 | -106.9 | -42.6 | -160.1 | 171.2 | 46.7 | -129.5 | -13.6 | 108.8 | ||||
| 613 | D | 32 | Very low | 31.3 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 52% | 0.519 | 78% | 0.779 | S | S | . | * | cis | -159.9 | 177.1 | -14.3 | -143.1 | -17.6 | 0 | 0 | 0 | 112.6 | ||||
| 614 | N | 32.6 | Very low | 31.3 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | trans | 75.7 | 82.7 | 157.3 | -64.4 | -29.1 | 0 | 0 | 0 | 120.3 | ||||
| 615 | N | 31.7 | Very low | 31.4 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | S | Bend | -179.6 | 142.6 | 87.1 | -90.8 | -58.6 | 0 | 0 | 0 | 111 | |||
| 616 | N | 32.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | cis | -163.9 | 160.2 | -20.9 | -151.5 | -45.6 | 0 | 0 | 0 | 109.6 | ||||
| 617 | K | 32.5 | Very low | 31.3 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | 69.9 | 130.7 | 176.2 | -48.1 | 170 | -175.5 | 174.3 | 0 | 116 | ||||
| 618 | G | 31.9 | Very low | 31.4 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | cis | 173 | 152.1 | -12.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 619 | R | 31.7 | Very low | 31 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 74.3 | 94.1 | 161.1 | -69.5 | -171.4 | 168.3 | -175.8 | -3.7 | 122.4 | ||||
| 620 | H | 33.2 | Very low | 31.2 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 90% | 0.903 | 77% | 0.767 | S | S | * | * | 64.3 | 157.4 | 115.7 | -75.7 | -79.5 | 0 | 0 | 0 | 123.3 | |||||
| 621 | R | 26.6 | Very low | 30.8 | Very low | 230 Ų | 230 | 137.6 Ų | 137.6 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -105.8 | 162.6 | -173.6 | -69.4 | -180 | 166.6 | -167.9 | -4.6 | 113.2 | ||||
| 622 | S | 28.5 | Very low | 31 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 59 | 119.2 | 142.7 | 58 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 623 | G | 30.9 | Very low | 30.9 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -149.3 | 149.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 624 | S | 30.1 | Very low | 31 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -98 | 161.6 | -162.2 | -35.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 625 | S | 28.6 | Very low | 31.1 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 52% | 0.524 | 77% | 0.774 | S | S | . | * | trans | 70.2 | 153.1 | 139.5 | -52 | 0 | 0 | 0 | 0 | 122.5 | F775 | S625-F775 WeakPolarHBondContact OG-CZ 3.31Š| ||
| 626 | M | 31 | Very low | 31.1 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | 86.3 | 138.9 | 154.5 | -54.5 | -138.1 | 72.1 | 0 | 0 | 119.7 | ||||
| 627 | S | 26.1 | Very low | 31.2 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -104.6 | 144.9 | -176.5 | -45.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 628 | S | 32 | Very low | 31.2 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -178.2 | 133 | 152 | -96.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 629 | E | 29.3 | Very low | 31.1 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | 57.7 | 128.5 | 80.4 | -65 | -174.5 | 150.5 | 0 | 0 | 112.6 | |||||
| 630 | I | 33.1 | Very low | 30.9 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -131.4 | 154.1 | 17.1 | -79.8 | 97 | 0 | 0 | 0 | 111 | ||||
| 631 | G | 31.2 | Very low | 30.7 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | trans | -87.3 | -139.4 | -177 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 632 | Q | 34.5 | Very low | 30.7 | Very low | 181 Ų | 181 | 122.2 Ų | 122.2 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | 80.3 | 138.2 | 179.9 | -54.9 | -172.6 | 21.2 | 0 | 0 | 116.9 | ||||
| 633 | C | 29.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | cis | -165.8 | 160.3 | -21.7 | -120.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 634 | S | 33.9 | Very low | 31 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | 65.3 | 134.3 | 157.7 | -66.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 635 | M | 33.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | cis | -138.2 | 136.9 | -5.5 | -87.3 | -106.1 | 168.3 | 0 | 0 | 108.4 | ||||
| 636 | N | 32.1 | Very low | 30.6 | Very low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | 67.5 | 127.5 | 75.7 | -134.8 | 8 | 0 | 0 | 0 | 110.6 | |||||
| 637 | V | 34.5 | Very low | 30.3 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | cis | -149.5 | 121.3 | 36.8 | 162 | 0 | 0 | 0 | 0 | 112 | ||||
| 638 | K | 33 | Very low | 30.3 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | 47.8 | 152.6 | 128.9 | -57.9 | 172.8 | 156.1 | -81.8 | 0 | 122.3 | |||||
| 639 | E | 30.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | cis | -166.2 | 146.2 | -9.2 | -110.1 | 164.1 | 168.6 | 0 | 0 | 112.5 | ||||
| 640 | L | 28.1 | Very low | 29.9 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | 40.4 | 156.3 | 126.9 | -61.8 | 177.5 | 0 | 0 | 0 | 123.1 | |||||
| 641 | T | 27 | Very low | 29.5 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | cis | -171.7 | 163.8 | -34.6 | 22.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 642 | S | 27.5 | Very low | 29.4 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -94.8 | 176.4 | 158 | -30.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 643 | P | 39.1 | Very low | 29.1 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | cis | -139 | -166.7 | -7.6 | 30.4 | -5.8 | 0 | 0 | 0 | 114.7 | ||||
| 644 | T | 26 | Very low | 29.3 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | 85.3 | 135.5 | 145.2 | 11.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 645 | A | 25.5 | Very low | 29 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 73% | 0.727 | S | S | * | * | trans | 82.7 | 119.6 | 133.1 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 646 | Y | 24.6 | Very low | 28.8 | Very low | 216 Ų | 216 | 132.1 Ų | 132.1 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | 66.4 | 132 | 137.2 | -102.8 | -101.8 | 0 | 0 | 0 | 123.3 | ||||
| 647 | L | 25.5 | Very low | 28.7 | Very low | 148 Ų | 148 | 132 Ų | 132 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 55.1 | 130.5 | 154.1 | -87.2 | 174.6 | 0 | 0 | 0 | 122.9 | ||||
| 648 | D | 25.5 | Very low | 28.5 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 80.8 | 160.2 | 148.2 | -132.3 | -16.1 | 0 | 0 | 0 | 120 | ||||
| 649 | S | 28 | Very low | 28.4 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | -119.4 | 141.1 | -159.3 | -51 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 650 | T | 25.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | 166.3 | 157.1 | 126 | 35.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 651 | S | 24.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 70.8 | 139.1 | 151.2 | 167.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 652 | T | 29.9 | Very low | 29 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | cis | -159.7 | 152 | -5.5 | -92.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 653 | Y | 26.4 | Very low | 29.2 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | -2.2 | 143.7 | 162 | -78.7 | -96.6 | 0 | 0 | 0 | 120.6 | ||||
| 654 | P | 34.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | -112.9 | 146.8 | 102.9 | 32.8 | -34.3 | 0 | 0 | 0 | 111.9 | |||||
| 655 | G | 27.4 | Very low | 29.2 | Very low | 58 Ų | 58 | 129.4 Ų | 129.4 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | cis | 89.8 | 119.4 | 5.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 656 | R | 30 | Very low | 29.7 | Very low | 232 Ų | 232 | 131.3 Ų | 131.3 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | cis | -169.7 | 168.7 | 12.1 | -153 | -176.9 | -170.7 | -133.9 | 9.2 | 110.4 | ||||
| 657 | C | 29.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 70.8 | 143.1 | 163.2 | -56 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 658 | G | 31.6 | Very low | 30.7 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | cis | -160.1 | 137.7 | -9.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 659 | S | 30.9 | Very low | 31.1 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | 71 | 98.8 | 76.6 | -58 | 0 | 0 | 0 | 0 | 114 | |||||
| 660 | Y | 31.3 | Very low | 31.4 | Very low | 214 Ų | 214 | 124.5 Ų | 124.5 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | -178.6 | 149.5 | 105.1 | -114.7 | -88.9 | 0 | 0 | 0 | 115.1 | |||||
| 661 | S | 32.1 | Very low | 31.8 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 39.5 | 129.5 | 153.6 | 56.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 662 | G | 34.2 | Very low | 32.1 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -175.6 | 59 | 169.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 663 | G | 32.1 | Very low | 32 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 52 | 81.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 664 | C | 30.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | 47.1 | 137.1 | 116.1 | -56.5 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 665 | I | 32.5 | Very low | 32.1 | Very low | 161 Ų | 161 | 123 Ų | 123 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | 74.7 | 135.5 | 145 | -65.2 | 159.7 | 0 | 0 | 0 | 115.5 | ||||
| 666 | V | 37.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | cis | -125.3 | 156.2 | 17.8 | -174.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 667 | G | 34.6 | Very low | 32.2 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | cis | 160.1 | 170.4 | -2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 668 | N | 34.9 | Very low | 32.3 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | -155.8 | 143 | 6 | -114.8 | -11.7 | 0 | 0 | 0 | 112.6 | ||||
| 669 | L | 34.3 | Very low | 32.4 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 53 | 91.4 | 148.3 | -52.8 | 168.4 | 0 | 0 | 0 | 115.2 | ||||
| 670 | N | 34.6 | Very low | 32.5 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | -165.5 | 163.1 | 62.9 | -83.2 | -98.3 | 0 | 0 | 0 | 108.7 | |||||
| 671 | R | 32.6 | Very low | 32.9 | Very low | 206 Ų | 206 | 120 Ų | 120 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | cis | -154.7 | -170.5 | 1.1 | -131.9 | 166.5 | -161 | -89.9 | -3.2 | 113 | ||||
| 672 | T | 31.5 | Very low | 33 | Very low | 109 Ų | 109 | 118.5 Ų | 118.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -73.6 | 147.6 | 173.4 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 673 | S | 27.5 | Very low | 33.1 | Very low | 98 Ų | 98 | 118.2 Ų | 118.2 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | cis | 106.3 | 137.7 | 10.8 | -59.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 674 | T | 30.6 | Very low | 33.2 | Very low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 92 | 147.8 | 156.7 | 77.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 675 | S | 33.5 | Very low | 33.2 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 92.7 | 137.6 | 149.8 | -52.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 676 | S | 30.1 | Very low | 33 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -123.5 | 151.4 | 178.5 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 677 | A | 29.1 | Very low | 32.5 | Very low | 94 Ų | 94 | 118.3 Ų | 118.3 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | 79.8 | 133.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 678 | V | 31 | Very low | 32.2 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 80.2 | 117 | 162.6 | -167.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 679 | V | 35.2 | Very low | 31.8 | Very low | 132 Ų | 132 | 121 Ų | 121 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | 69.2 | 131.2 | 155.1 | 158.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 680 | T | 33.2 | Very low | 32.2 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -160.2 | 167.8 | -21.4 | -58.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 681 | V | 38.1 | Very low | 32.2 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | 88.4 | 90.2 | 164.6 | -164.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 682 | G | 35.7 | Very low | 32 | Very low | 82 Ų | 82 | 116.8 Ų | 116.8 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | 84.7 | 105.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 683 | G | 36.5 | Very low | 32.1 | Very low | 76 Ų | 76 | 119.1 Ų | 119.1 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | cis | 171.9 | 20.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 684 | D | 32.5 | Very low | 32.3 | Very low | 172 Ų | 172 | 122.2 Ų | 122.2 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -88.9 | 151.7 | -175.5 | -69.9 | -59.6 | 0 | 0 | 0 | 114.5 | ||||
| 685 | G | 31 | Very low | 32.3 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 112.6 | 108 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 686 | V | 29.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | 57.3 | 103.2 | 139.4 | -173.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 687 | S | 27.3 | Very low | 32 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | 58.9 | 125.1 | 145.9 | 71.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 688 | L | 26.9 | Very low | 32 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | 61.3 | 131.6 | 147.1 | -86.9 | 74.4 | 0 | 0 | 0 | 118 | ||||
| 689 | S | 28 | Very low | 31.8 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -149.1 | 162.6 | 8.9 | -75.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 690 | T | 41.6 | Very low | 31.5 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | -0.4 | 139.8 | 156.8 | 55.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 691 | P | 34.8 | Very low | 31.1 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | -141.3 | 136 | 104.5 | 36.3 | -24.1 | 0 | 0 | 0 | 115.4 | |||||
| 692 | N | 28.9 | Very low | 30.7 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 64.1 | 144 | 166.7 | -61.2 | -56.2 | 0 | 0 | 0 | 116.9 | ||||
| 693 | Q | 33.1 | Very low | 30.3 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | cis | -150.9 | 148.2 | -2.3 | -132.5 | 176.6 | 19.7 | 0 | 0 | 110.6 | ||||
| 694 | K | 32.4 | Very low | 30 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | trans | 35.4 | 122.4 | 156.9 | -72.5 | -179.9 | 176.2 | -178.1 | 0 | 120.5 | ||||
| 695 | Q | 30.6 | Very low | 30.4 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | 66.1 | 125.7 | 136.1 | -62.8 | 167.9 | -46 | 0 | 0 | 116.9 | ||||
| 696 | T | 28.4 | Very low | 30.2 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | -150.6 | 117 | 75.5 | 13.5 | 0 | 0 | 0 | 0 | 113.7 | V698 | T696-V698 VanDerWaalsContact CG2-O 3.32Å; T696-V698 WeakPolarHBondContact CG2-O 3.44Å | |||
| 697 | M | 27.3 | Very low | 30.4 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 84% | 0.837 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -78.2 | 112.3 | 142.8 | -148 | -70.6 | -74.6 | 0 | 0 | 105.3 | ||
| 698 | V | 29.4 | Very low | 30.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 58.9 | 140.2 | 179 | 179.2 | 0 | 0 | 0 | 0 | 115.5 | T696 | T696-V698 VanDerWaalsContact CG2-O 3.32Å; T696-V698 WeakPolarHBondContact CG2-O 3.44Å |
| 699 | G | 28 | Very low | 31.2 | Very low | 58 Ų | 58 | 124.4 Ų | 124.4 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | trans | -60.5 | 149 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A701 | G699-A701 PolarHBondContact O-N 2.71Š| ||
| 700 | V | 28.1 | Very low | 31.1 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | -15.8 | 102.3 | 155.1 | 177 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 701 | A | 24.3 | Very low | 30.5 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | 51.3 | 69.2 | 75.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G699 | G699-A701 PolarHBondContact O-N 2.71Š| |||
| 702 | T | 30.3 | Very low | 30.1 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | trans | -151.6 | 146.5 | 139.5 | -1.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 703 | S | 26.9 | Very low | 30 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | -55 | 143.4 | 176 | 49.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 704 | K | 30.7 | Very low | 29.7 | Very low | 197 Ų | 197 | 124.4 Ų | 124.4 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | 42.3 | 146.1 | 122.5 | -61.5 | -177.8 | 176.1 | 179.6 | 0 | 118.7 | |||||
| 705 | P | 39.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | cis | -150.4 | -171.5 | 38.6 | 34 | -8.5 | 0 | 0 | 0 | 117.3 | ||||
| 706 | V | 27 | Very low | 29.2 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | trans | 66.2 | 105.5 | 161.1 | -158.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 707 | L | 34.6 | Very low | 29.2 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | -162.3 | 135.4 | 98 | -108.8 | 99 | 0 | 0 | 0 | 106.7 | |||||
| 708 | L | 36 | Very low | 29.1 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | 51.2 | 120.7 | 83.1 | -79.5 | 164.1 | 0 | 0 | 0 | 113.2 | |||||
| 709 | G | 34.6 | Very low | 29.1 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | cis | -169.3 | 147.7 | -9.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 710 | H | 25.6 | Very low | 29.1 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 82% | 0.819 | 73% | 0.729 | S | S | * | * | cis | 63.5 | 82.5 | 33.3 | -145.8 | -98 | 0 | 0 | 0 | 112.6 | ||||
| 711 | L | 28.9 | Very low | 29.1 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | -176.4 | 158.8 | 104.6 | -96.1 | 164.6 | 0 | 0 | 0 | 115.3 | |||||
| 712 | S | 26.7 | Very low | 29.3 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -31.5 | 144.7 | 160.2 | -43.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 713 | G | 27.5 | Very low | 29.3 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | cis | 139.2 | -161.8 | 8.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 714 | I | 25.8 | Very low | 29.5 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | 59.3 | 147.3 | 177.4 | 21.6 | -176.1 | 0 | 0 | 0 | 114.7 | ||||
| 715 | Y | 24.9 | Very low | 29.4 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | cis | -145.6 | 160.1 | 17.3 | -104.1 | -66.7 | 0 | 0 | 0 | 112.9 | ||||
| 716 | Q | 27.5 | Very low | 28.8 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | trans | 45.9 | 114.3 | 153.6 | -65.4 | -174.6 | 26 | 0 | 0 | 121.5 | ||||
| 717 | N | 29.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | -168.1 | 134.7 | 138.8 | -94.7 | -46.2 | 0 | 0 | 0 | 106.6 | ||||
| 718 | V | 24.6 | Very low | 28.7 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | 70.2 | 152.2 | 15 | -163.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 719 | V | 30.7 | Very low | 28.5 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | trans | 72.1 | 87.6 | -175.3 | -170 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 720 | T | 26.6 | Very low | 28.3 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | 56.4 | 133 | 76.7 | 78.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 721 | R | 28.2 | Very low | 28.3 | Very low | 239 Ų | 239 | 147.8 Ų | 147.8 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | trans | 70.4 | 159.5 | 163.1 | -60 | 174.7 | -176.8 | -168.7 | 2.3 | 115.9 | ||||
| 722 | K | 28.3 | Very low | 28.3 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | cis | -179.1 | 155.5 | -32.8 | -159.3 | 177.5 | -174.6 | 175.8 | 0 | 105.7 | ||||
| 723 | K | 30.8 | Very low | 28.5 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 74% | 0.735 | 73% | 0.734 | S | S | * | * | trans | 73.2 | 152 | 169.3 | -60 | 170.6 | 145.3 | -125.6 | 0 | 114.6 | ||||
| 724 | Q | 31 | Very low | 28.4 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | cis | -153.5 | 140.4 | -9.5 | -118.5 | 166.2 | -86.1 | 0 | 0 | 112 | ||||
| 725 | Q | 29.5 | Very low | 28.5 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | 46.6 | 109.7 | 146.6 | -67.3 | 165.7 | -73.2 | 0 | 0 | 121.4 | ||||
| 726 | Q | 26.5 | Very low | 28.7 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | 51.3 | 144 | 128.4 | -66.1 | 172 | -24.5 | 0 | 0 | 120.5 | |||||
| 727 | P | 32.5 | Very low | 28.7 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | cis | -146.9 | -178.3 | 31.8 | 43.2 | -23 | 0 | 0 | 0 | 118.8 | ||||
| 728 | N | 27.3 | Very low | 28.7 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | trans | 58.2 | 121.2 | 149.8 | -66 | -6.4 | 0 | 0 | 0 | 124.8 | ||||
| 729 | I | 30.9 | Very low | 28.9 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 87% | 0.872 | 69% | 0.694 | S | S | * | * | trans | -154.5 | 151.8 | 169.6 | -67.5 | -175.2 | 0 | 0 | 0 | 108.7 | ||||
| 730 | L | 30.4 | Very low | 29 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | cis | -169.5 | 90.1 | -32.8 | -168.3 | 82.1 | 0 | 0 | 0 | 114.2 | ||||
| 731 | W | 26.7 | Very low | 29.4 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | 67.3 | -175.2 | 152.2 | -62.1 | 72.2 | 0 | 0 | 0 | 121.4 | ||||
| 732 | D | 27.8 | Very low | 29.6 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 60% | 0.604 | 69% | 0.685 | S | S | * | * | trans | -113.9 | 163.8 | -140.4 | -50.5 | -78.9 | 0 | 0 | 0 | 120.3 | ||||
| 733 | N | 32.2 | Very low | 29.8 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | trans | 66.7 | 109.8 | 149.4 | -63.6 | -35 | 0 | 0 | 0 | 123.8 | ||||
| 734 | F | 25.3 | Very low | 29.9 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | -177.5 | -164.6 | 117.4 | -116.2 | -86.7 | 0 | 0 | 0 | 112.7 | |||||
| 735 | E | 27.5 | Very low | 29.8 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -105.7 | 161.6 | -154.9 | -63.7 | 173.3 | 99.8 | 0 | 0 | 118.9 | ||||
| 736 | S | 28 | Very low | 29.8 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | trans | 94 | 102.2 | 144 | 70.3 | 0 | 0 | 0 | 0 | 125 | S1451 | S736-S1451 WeakPolarHBondContact O-CB 3.47Å; S736-S1451 PolarHBondContact O-OG 2.87Å | ||
| 737 | T | 29 | Very low | 30.3 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 42% | 0.417 | 70% | 0.696 | S | S | . | * | trans | 67.6 | 137.6 | 130.6 | 50.7 | 0 | 0 | 0 | 0 | 125.6 | V1450 S1451 | T737-V1450 CarbonylContact C-O 3.48Å; T737-V1450 WeakPolarHBondContact CB-O 3.47Å; T737-V1450 CarbonylContact O-C 3.16Å; T737-V1450 PolarHBondContact OG1-O 3.47Å; T737-S1451 WeakPolarHBondContact O-CA 3.49Å; T737-S1451 WeakPolarHBondContact O-CB 3.45Å; T737-S1451 PolarHBondContact O-N 2.79Å; T737-S1451 PolarHBondContact O-OG 3.07Å | ||
| 738 | N | 28.6 | Very low | 30.3 | Very low | 84 Ų | 84 | 135 Ų | 135 | 45% | 0.449 | 70% | 0.702 | S | S | . | * | trans | 38.7 | 137.4 | 150.2 | -62.4 | 1.8 | 0 | 0 | 0 | 120.4 | V1450 S1451 | N738-V1450 WeakPolarHBondContact CB-O 3.36Å; N738-S1451 CarbonylContact O-C 3.53Å; N738-S1451 PolarHBondContact O-N 3Å | ||
| 739 | S | 29.9 | Very low | 30.2 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | cis | 169.7 | 148.9 | 14.8 | 44.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 740 | T | 32.8 | Very low | 30.5 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | 68.3 | 148.7 | 156.3 | 19.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 741 | E | 33.4 | Very low | 30.2 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | cis | -156.3 | 139.4 | 2.8 | -170.9 | 153.2 | -151.6 | 0 | 0 | 114.7 | ||||
| 742 | Q | 33.9 | Very low | 30.3 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 59% | 0.593 | 70% | 0.695 | S | S | * | * | trans | 57.6 | 158.3 | 157.6 | -72.7 | 176 | 56.5 | 0 | 0 | 119.1 | ||||
| 743 | Q | 31.7 | Very low | 30.5 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | cis | -130.7 | 139 | 16 | -77.3 | -174.4 | -8.2 | 0 | 0 | 115 | ||||
| 744 | Y | 32.5 | Very low | 30.3 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | trans | 42.2 | 123.5 | 137.9 | -69.7 | -99.3 | 0 | 0 | 0 | 122.2 | ||||
| 745 | F | 28.6 | Very low | 30.7 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 75% | 0.75 | 66% | 0.664 | S | S | * | * | cis | -166.5 | 121.4 | -36.8 | -114.6 | -59.1 | 0 | 0 | 0 | 105.9 | ||||
| 746 | S | 30.5 | Very low | 31 | Very low | 121 Ų | 121 | 118.2 Ų | 118.2 | 85% | 0.846 | 65% | 0.65 | S | S | * | * | trans | -157.6 | 159.6 | 179.8 | -82.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 747 | P | 37.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | trans | -108 | 161.9 | -158 | 39.5 | -34.3 | 0 | 0 | 0 | 115.7 | ||||
| 748 | S | 31.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 118.4 Ų | 118.4 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | trans | 127.9 | 153.1 | 154.1 | -55.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 749 | C | 25.2 | Very low | 31.7 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | trans | -109.5 | -178.9 | -169.2 | -38.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 750 | P | 38.5 | Very low | 31.7 | Very low | 102 Ų | 102 | 123 Ų | 123 | 66% | 0.662 | 69% | 0.687 | S | S | * | * | cis | -130.6 | -171.6 | -29.8 | 19.1 | 6.2 | 0 | 0 | 0 | 114 | ||||
| 751 | W | 24.5 | Very low | 31.6 | Very low | 228 Ų | 228 | 122.8 Ų | 122.8 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | 79.9 | 110.5 | 160.7 | 56 | -81.6 | 0 | 0 | 0 | 124.7 | ||||
| 752 | S | 28.7 | Very low | 31.4 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | trans | 100.8 | 119.1 | 137.2 | -56.1 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 753 | T | 31.2 | Very low | 31.4 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | trans | 74.4 | 120.3 | 138.4 | 34.7 | 0 | 0 | 0 | 0 | 129.4 | ||||
| 754 | M | 28.4 | Very low | 31.5 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 41% | 0.414 | 68% | 0.681 | S | S | . | * | 77.9 | 142 | 128.4 | -108.3 | -167.3 | -73.1 | 0 | 0 | 129.4 | |||||
| 755 | N | 33 | Very low | 31.4 | Very low | 63 Ų | 63 | 116.6 Ų | 116.6 | 34% | 0.337 | 68% | 0.68 | S | S | . | * | trans | 73.4 | 155.2 | 150.7 | -63.8 | -25.7 | 0 | 0 | 0 | 123.6 | T1454 | N755-T1454 WeakPolarHBondContact O-CA 3.33Å; N755-T1454 PolarHBondContact O-N 3.03Å | ||
| 756 | I | 33.4 | Very low | 31.5 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 45% | 0.446 | 68% | 0.681 | S | S | . | * | cis | -160.3 | 126.6 | -42.1 | -113 | 170.6 | 0 | 0 | 0 | 112.7 | L1453 T1454 T1455 T1456 | I756-L1453 HydrophobicContact CG1-CD1 3.86Å; I756-L1453 HydrophobicContact CG1-CG 4.23Å; I756-T1454 VanDerWaalsContact C-N 3.31Å; I756-T1454 VanDerWaalsContact CA-N 3.26Å; I756-T1454 VanDerWaalsContact N-CA 3.32Å; I756-T1454 CarbonylContact O-C 3.32Å; I756-T1455 VanDerWaalsContact C-N 3.35Å; I756-T1455 CarbonylContact O-C 3.57Å; I756-T1455 WeakPolarHBondContact O-CA 3.04Å; I756-T1455 PolarHBondContact O-N 3.01Å; I756-T1456 HydrophobicContact CB-CG2 4.5Å; I756-T1456 HydrophobicContact CG2-CG2 4.22Å; I756-T1456 PolarHBondContact O-N 3.26Å | ||
| 757 | S | 33 | Very low | 31.5 | Very low | 92 Ų | 92 | 113 Ų | 113 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | trans | -14.8 | 146.3 | -165.1 | -53.4 | 0 | 0 | 0 | 0 | 130.8 | L1453 T1454 | S757-L1453 VanDerWaalsContact CA-O 3.25Å; S757-L1453 WeakPolarHBondContact CA-O 3.24Å; S757-L1453 PolarHBondContact N-O 3.35Å; S757-T1454 CarbonylContact C-O 3.55Å; S757-T1454 WeakPolarHBondContact CA-O 3.36Å; S757-T1454 PolarHBondContact N-O 3.42Å | ||
| 758 | G | 34.6 | Very low | 31.2 | Very low | 60 Ų | 60 | 114.7 Ų | 114.7 | 62% | 0.619 | 68% | 0.677 | S | S | * | * | trans | 147.9 | 160.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | T1454 | G758-T1454 PolarHBondContact N-O 2.92Š| ||
| 759 | T | 33.4 | Very low | 31.1 | Very low | 130 Ų | 130 | 115.1 Ų | 115.1 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | cis | -177.7 | 155 | -18.2 | 11.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 760 | D | 30.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 116.8 Ų | 116.8 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | trans | 60.7 | 152 | 149.4 | -77.8 | 38.2 | 0 | 0 | 0 | 123.4 | ||||
| 761 | N | 31 | Very low | 30.8 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | cis | -170 | 167.7 | -20.6 | -124.1 | -33.9 | 0 | 0 | 0 | 114.1 | ||||
| 762 | N | 29.6 | Very low | 30.9 | Very low | 130 Ų | 130 | 114.9 Ų | 114.9 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | trans | 81.8 | 139.5 | 148 | -70.5 | -22.5 | 0 | 0 | 0 | 127.1 | ||||
| 763 | N | 32.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | trans | 78 | 144.4 | 143.7 | -68.1 | 3.2 | 0 | 0 | 0 | 121 | ||||
| 764 | S | 33.3 | Very low | 30.7 | Very low | 86 Ų | 86 | 117.4 Ų | 117.4 | 60% | 0.601 | 67% | 0.668 | S | S | * | * | cis | -167.8 | 162.1 | 3.6 | -125.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 765 | N | 31.2 | Very low | 30.8 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 68% | 0.679 | 68% | 0.676 | S | S | * | * | trans | 67.7 | 149.8 | 150.2 | -68.4 | 44.9 | 0 | 0 | 0 | 119.4 | ||||
| 766 | D | 31.6 | Very low | 30.5 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | cis | -153.3 | 160.4 | -12.8 | -90.4 | -29.5 | 0 | 0 | 0 | 109.1 | ||||
| 767 | G | 30 | Very low | 30.3 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | trans | -139.8 | -85.5 | -166 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 768 | I | 31.7 | Very low | 30.2 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 80% | 0.795 | 71% | 0.705 | S | S | * | * | trans | 79.7 | 108.5 | 178.2 | -47.8 | 179.1 | 0 | 0 | 0 | 117.3 | ||||
| 769 | N | 28.7 | Very low | 29.9 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | trans | 49.6 | 152.1 | 145.7 | -60.3 | 44.3 | 0 | 0 | 0 | 121.4 | ||||
| 770 | E | 27.1 | Very low | 29.8 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | cis | 168.6 | 124.1 | -16.5 | -102.3 | 169 | 171.7 | 0 | 0 | 104.1 | ||||
| 771 | T | 29.7 | Very low | 29.9 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | trans | 178.9 | 129.1 | 147.9 | 14.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 772 | E | 26.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | 57.1 | 138.1 | 135.4 | -80.4 | -173.9 | -149.5 | 0 | 0 | 126.1 | ||||
| 773 | N | 29.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 65% | 0.647 | 70% | 0.696 | S | S | * | * | trans | 79.9 | 105.7 | 143 | -54.9 | -21 | 0 | 0 | 0 | 123.7 | ||||
| 774 | D | 26.6 | Very low | 29.4 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | 68.7 | 161.4 | 126.1 | -66 | -15.4 | 0 | 0 | 0 | 125.7 | |||||
| 775 | F | 29.7 | Very low | 29.6 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 57% | 0.566 | 70% | 0.698 | S | S | * | * | trans | 89.1 | 78.2 | 160.6 | -89 | -90.5 | 0 | 0 | 0 | 122.5 | S625 | S625-F775 WeakPolarHBondContact OG-CZ 3.31Š| ||
| 776 | N | 28.3 | Very low | 29.3 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | 75.8 | 111.9 | 106.5 | -89.2 | -40 | 0 | 0 | 0 | 125.1 | |||||
| 777 | T | 29.5 | Very low | 29.2 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | 82.1 | 151.8 | 123.1 | -15.3 | 0 | 0 | 0 | 0 | 124 | |||||
| 778 | F | 29.5 | Very low | 29.1 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | trans | 75.5 | 135.6 | 166.7 | -70.6 | -91.7 | 0 | 0 | 0 | 118.8 | ||||
| 779 | L | 29.4 | Very low | 29.1 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 62% | 0.618 | 70% | 0.703 | S | S | * | * | cis | -169.8 | 156.4 | -26.6 | -144.9 | 76.8 | 0 | 0 | 0 | 110.2 | ||||
| 780 | D | 30.4 | Very low | 29.2 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | trans | 41.1 | 122.5 | 148.4 | -65.6 | 1.8 | 0 | 0 | 0 | 121.7 | ||||
| 781 | Q | 31.8 | Very low | 29.2 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 62% | 0.621 | 71% | 0.706 | S | S | * | * | 78.1 | 147.8 | 62.7 | -68.5 | 168.8 | 10.8 | 0 | 0 | 113.6 | |||||
| 782 | Y | 30.9 | Very low | 29.1 | Very low | 191 Ų | 191 | 129.5 Ų | 129.5 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | cis | -141.5 | 161.8 | 9.3 | -104.9 | -60.2 | 0 | 0 | 0 | 113.1 | ||||
| 783 | H | 24.7 | Very low | 29.3 | Very low | 157 Ų | 157 | 128 Ų | 128 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -148.8 | -176.1 | 150.3 | -152.6 | -99 | 0 | 0 | 0 | 108.6 | ||||
| 784 | M | 28.3 | Very low | 29.2 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 64% | 0.635 | 72% | 0.716 | S | S | * | * | trans | 82.4 | 164.8 | 170 | -50.6 | -50.6 | -171.3 | 0 | 0 | 117.1 | M1445 | M784-M1445 HydrophobicContact CE-CE 4.26Å; M784-M1445 HydrophobicContact CG-CE 3.65Å | ||
| 785 | P | 35.6 | Very low | 29.2 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | cis | -137.9 | -172.3 | -40.8 | 35.7 | -18.2 | 0 | 0 | 0 | 114.4 | ||||
| 786 | V | 26.2 | Very low | 29.2 | Very low | 140 Ų | 140 | 129 Ų | 129 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | trans | -95.7 | 152.3 | 163.4 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 787 | G | 29.3 | Very low | 29 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | -158.7 | 148.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 788 | I | 28.3 | Very low | 28.8 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -147.3 | 127.8 | -179.5 | -60.6 | 178.6 | 0 | 0 | 0 | 111 | ||||
| 789 | A | 31.3 | Very low | 28.6 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | trans | 176.6 | 113.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 790 | N | 30.5 | Very low | 28.3 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | 74.5 | 137.9 | 83.6 | -71.7 | 8.6 | 0 | 0 | 0 | 113.8 | |||||
| 791 | T | 28 | Very low | 28 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | cis | -171.8 | 154.5 | -6.4 | 21 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 792 | S | 26.2 | Very low | 27.7 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -177.6 | 142.2 | -18.7 | 46.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 793 | S | 30.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | trans | -92.7 | 156.2 | 176.9 | -55 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 794 | I | 27.1 | Very low | 27.5 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -98.9 | 130.1 | -172.1 | -63.5 | 167.3 | 0 | 0 | 0 | 112.3 | ||||
| 795 | S | 28.3 | Very low | 27.4 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | -148.9 | 108.8 | 150 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 796 | N | 29.1 | Very low | 26.9 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -69.1 | 165.8 | 163 | -62.8 | -21.1 | 0 | 0 | 0 | 110.3 | ||||
| 797 | C | 24.8 | Very low | 27.1 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | cis | -170.3 | 140.7 | -31.2 | 57.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 798 | D | 24.5 | Very low | 27 | Very low | 151 Ų | 151 | 118 Ų | 118 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | trans | 179.7 | 107.4 | 153.7 | -96.7 | -27.8 | 0 | 0 | 0 | 109 | ||||
| 799 | D | 24.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 116 Ų | 116 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | trans | -124.8 | 62.8 | -176.5 | -165.9 | 11.3 | 0 | 0 | 0 | 110.9 | S801 R802 | D799-S801 PolarHBondContact O-N 3.28Å; D799-R802 IonicContact OD2-NH1 3.8Å | ||
| 800 | T | 23.7 | Very low | 26.7 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 81% | 0.81 | 67% | 0.672 | S | S | * | * | trans | -92.4 | 37.6 | -171.2 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 801 | S | 25.4 | Very low | 26.5 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | trans | -156.1 | 76.6 | 170.5 | -164.1 | 0 | 0 | 0 | 0 | 115.6 | D799 | D799-S801 PolarHBondContact O-N 3.28Š| ||
| 802 | R | 25.4 | Very low | 26.6 | Very low | 179 Ų | 179 | 113.9 Ų | 113.9 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | trans | -137.4 | 40.5 | 168 | -84.2 | -165.8 | 163.3 | 114.3 | -6 | 114.9 | D799 | D799-R802 IonicContact OD2-NH1 3.8Š| ||
| 803 | D | 25 | Very low | 26.8 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 55% | 0.551 | 67% | 0.667 | S | S | * | * | trans | -100.4 | 61.1 | 165.7 | -99.9 | -30.6 | 0 | 0 | 0 | 111.7 | N219 | N219-D803 PolarHBondContact ND2-OD2 2.98Š| ||
| 804 | S | 26 | Very low | 26.8 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -158 | 131.2 | 158.2 | -86.5 | 0 | 0 | 0 | 0 | 109.1 | L806 | S804-L806 PolarHBondContact O-N 3.45Å; S804-L806 VanDerWaalsContact O-N 3.14Å |
| 805 | G | 25.6 | Very low | 26.9 | Very low | 66 Ų | 66 | 112.8 Ų | 112.8 | 68% | 0.68 | 66% | 0.663 | S | S | * | * | trans | -71.3 | 110.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V807 | G805-V807 PolarHBondContact O-N 3.39Š| ||
| 806 | L | 26 | Very low | 26.8 | Very low | 144 Ų | 144 | 112.5 Ų | 112.5 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | trans | -68.1 | 66.3 | 165.9 | -68.3 | 175 | 0 | 0 | 0 | 111.1 | S804 | S804-L806 PolarHBondContact O-N 3.45Å; S804-L806 VanDerWaalsContact O-N 3.14Å | ||
| 807 | V | 29.5 | Very low | 27 | Very low | 54 Ų | 54 | 111.6 Ų | 111.6 | 33% | 0.327 | 66% | 0.662 | S | S | . | * | trans | -70.4 | 127.4 | 142.5 | -176.7 | 0 | 0 | 0 | 0 | 105.1 | G805 D809 | G805-V807 PolarHBondContact O-N 3.39Å; V807-D809 PolarHBondContact O-N 3.12Å | ||
| 808 | L | 27.4 | Very low | 27.3 | Very low | 77 Ų | 77 | 115.1 Ų | 115.1 | 40% | 0.403 | 67% | 0.673 | S | S | . | * | trans | -55.9 | 128 | -177.7 | -72.5 | 146 | 0 | 0 | 0 | 109.8 | Y52 M810 | Y52-L808 HydrophobicContact CD1-CD1 4.07Å; Y52-L808 HydrophobicContact CD2-CB 4.44Å; Y52-L808 HydrophobicContact CD2-CD1 4.15Å; Y52-L808 HydrophobicContact CD2-CD2 3.92Å; Y52-L808 HydrophobicContact CD2-CG 4.39Å; Y52-L808 HydrophobicContact CE2-CD2 4.06Å; Y52-L808 HydrophobicContact CG-CD1 3.73Å; Y52-L808 HydrophobicContact CG-CD2 4.33Å; Y52-L808 HydrophobicContact CG-CG 4.44Å; L808-M810 PolarHBondContact O-N 2.93Å | ||
| 809 | D | 23.7 | Very low | 27.6 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | trans | -72.5 | 113.8 | -172.6 | -163.5 | 60.7 | 0 | 0 | 0 | 109.9 | V807 T811 | V807-D809 PolarHBondContact O-N 3.12Å; D809-T811 WeakPolarHBondContact OD2-CB 3.15Å; D809-T811 PolarHBondContact OD2-OG1 2.71Å | ||
| 810 | M | 30.4 | Very low | 27.8 | Very low | 52 Ų | 52 | 115.8 Ų | 115.8 | 26% | 0.256 | 68% | 0.679 | S | S | . | * | trans | -101.7 | 50.9 | 178 | -72.8 | -177.9 | 49.5 | 0 | 0 | 110.3 | P51 T53 L808 L812 | P51-M810 HydrophobicContact CB-CG 4.25Å; P51-M810 HydrophobicContact CG-CE 4.46Å; P51-M810 HydrophobicContact CG-CG 4.37Å; T53-M810 HydrophobicContact CG2-CE 3.25Å; T53-M810 HydrophobicContact CG2-SD 3.61Å; L808-M810 PolarHBondContact O-N 2.93Å; M810-L812 PolarHBondContact O-N 3.02Å | ||
| 811 | T | 26.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | trans | -70.1 | 96.6 | 174.5 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | D809 | D809-T811 WeakPolarHBondContact OD2-CB 3.15Å; D809-T811 PolarHBondContact OD2-OG1 2.71Å | ||
| 812 | L | 29 | Very low | 28.1 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 131.1 | 166 | -75.2 | 169.2 | 0 | 0 | 0 | 109 | M810 | M810-L812 PolarHBondContact O-N 3.02Š|
| 813 | P | 30.8 | Very low | 28.2 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -71 | 151.9 | 173.9 | 30.1 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 814 | P | 29.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 153.5 | -177.3 | 35.6 | -34.8 | 0 | 0 | 0 | 113.9 | ||
| 815 | T | 29.2 | Very low | 28.4 | Very low | 146 Ų | 146 | 115.6 Ų | 115.6 | 90% | 0.896 | 71% | 0.706 | S | S | * | * | trans | 71.5 | 153.3 | 176.4 | 79 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 816 | S | 28 | Very low | 28.5 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | cis | -128 | 164.6 | 18.7 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 817 | P | 33 | Very low | 28.6 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | trans | -91.3 | 152.1 | -172 | 35.9 | -35.3 | 0 | 0 | 0 | 114.7 | ||||
| 818 | L | 31.6 | Very low | 28.4 | Very low | 178 Ų | 178 | 121 Ų | 121 | 93% | 0.932 | 73% | 0.725 | S | S | * | * | trans | -146.4 | 146 | 163.1 | -113.2 | 161.6 | 0 | 0 | 0 | 109.8 | ||||
| 819 | E | 28.9 | Very low | 28.5 | Very low | 182 Ų | 182 | 124.7 Ų | 124.7 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | -91.2 | 135.3 | -161.3 | -57.1 | 176.4 | 115.2 | 0 | 0 | 113.9 | ||||
| 820 | S | 29.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | 157.8 | 149.2 | 109.6 | 57.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 821 | N | 30 | Very low | 28.7 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 61.4 | 82.9 | 155.5 | -64.2 | -24.1 | 0 | 0 | 0 | 121.9 | ||||
| 822 | C | 25.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 131 Ų | 131 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | 29.6 | 96 | 120.8 | -66 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 823 | G | 26.8 | Very low | 28.7 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | 84.9 | 149.7 | 111.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 824 | G | 28 | Very low | 28.6 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 145.1 | 105.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 825 | F | 27.5 | Very low | 28.4 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -61.5 | 151.3 | 179.3 | -91.5 | -87 | 0 | 0 | 0 | 116.4 | ||||
| 826 | L | 27.1 | Very low | 28.4 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | 83.8 | 142.9 | 144.7 | -71.8 | 164.8 | 0 | 0 | 0 | 122.1 | ||||
| 827 | N | 28.8 | Very low | 28.5 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 65.5 | 115.9 | 150.6 | -64.2 | -3.4 | 0 | 0 | 0 | 120.7 | N829 | N827-N829 PolarHBondContact O-N 2.81Š| ||
| 828 | S | 25.8 | Very low | 28.4 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -29.1 | 119.5 | 144.7 | 52.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 829 | N | 29.9 | Very low | 28.1 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -162.2 | 176.4 | 91.4 | -97 | -18 | 0 | 0 | 0 | 111.7 | N827 | N827-N829 PolarHBondContact O-N 2.81Š| |||
| 830 | L | 30.3 | Very low | 28.3 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -72 | 154.3 | -171 | -78.6 | 125.7 | 0 | 0 | 0 | 114.9 | ||||
| 831 | D | 27.5 | Very low | 28.4 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 70.1 | 109.3 | 147.2 | -60.1 | -21.8 | 0 | 0 | 0 | 122.3 | ||||
| 832 | V | 27.8 | Very low | 28.4 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | 55.5 | 102.6 | 130.3 | -169.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 833 | D | 26.8 | Very low | 28.6 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -127.2 | 137.8 | 151 | -154.6 | -10.4 | 0 | 0 | 0 | 110 | ||||
| 834 | L | 28.3 | Very low | 28.7 | Very low | 153 Ų | 153 | 147 Ų | 147 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -115.2 | 97.9 | -165.5 | 176.3 | 69.4 | 0 | 0 | 0 | 110.4 | ||||
| 835 | L | 26 | Very low | 28.7 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -105.6 | 95.2 | -176 | -153.4 | 73.8 | 0 | 0 | 0 | 115.1 | ||||
| 836 | S | 28.5 | Very low | 28.9 | Very low | 90 Ų | 90 | 148.1 Ų | 148.1 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -151.3 | 142.7 | 152.9 | -101.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 837 | Q | 31.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -162.7 | 179.9 | 19.3 | -139.4 | 160.4 | 80 | 0 | 0 | 112.1 | ||||
| 838 | L | 30.7 | Very low | 29.1 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 69.2 | 95.2 | 156.7 | -66.3 | 163.6 | 0 | 0 | 0 | 119 | ||||
| 839 | T | 26.2 | Very low | 29.2 | Very low | 139 Ų | 139 | 145 Ų | 145 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 145 | 149.1 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 840 | Q | 32.8 | Very low | 29.2 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -128.7 | 154.1 | 155.3 | -75.6 | -163 | 0.3 | 0 | 0 | 112.3 | ||||
| 841 | S | 30.7 | Very low | 29.2 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -38 | 136.2 | -165.6 | -55.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 842 | Q | 30.2 | Very low | 29.2 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -77.1 | 161 | 155.3 | -69.6 | -176.7 | -11.9 | 0 | 0 | 112.4 | ||||
| 843 | R | 29.3 | Very low | 29.3 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | 124.5 | 138.5 | 147.5 | -69.3 | -174.3 | -177.6 | -145.5 | 2 | 112.2 | ||||
| 844 | Q | 29.5 | Very low | 29.4 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | cis | -162.2 | 150.6 | 1.5 | -128.8 | 166.8 | -10.5 | 0 | 0 | 109.8 | ||||
| 845 | Q | 27.9 | Very low | 29.5 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | 176.4 | 137.5 | 121.8 | -101.4 | -177 | 17.7 | 0 | 0 | 112.6 | |||||
| 846 | H | 32 | Very low | 29.6 | Very low | 142 Ų | 142 | 133 Ų | 133 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | 54.5 | 158.4 | 154.3 | -59.5 | -50.2 | 0 | 0 | 0 | 119.8 | ||||
| 847 | N | 30.6 | Very low | 29.6 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -165.6 | 152.6 | -31.6 | -102.4 | 6.3 | 0 | 0 | 0 | 103.8 | ||||
| 848 | S | 29.1 | Very low | 29.5 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | cis | -176 | 141.8 | -14.8 | 46.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 849 | S | 28.6 | Very low | 29.4 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | 38.4 | 121.5 | 153.2 | 61.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 850 | N | 30.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | -173.5 | 159.9 | 77 | -100.6 | -37.2 | 0 | 0 | 0 | 116.2 | |||||
| 851 | T | 29.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -2.6 | 126.1 | 157.7 | 40 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 852 | A | 27.7 | Very low | 29.3 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | 94.6 | 139 | 111.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 853 | T | 29.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 64.6 | 103.4 | 146.4 | 46.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 854 | S | 29.5 | Very low | 29.2 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | 24.5 | 142 | 112 | 57.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 855 | A | 30.2 | Very low | 29.3 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | cis | -171.3 | 175 | -3.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 856 | T | 28.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | 64.2 | 92 | 151.9 | 40.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 857 | A | 27.6 | Very low | 29.6 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | 75.3 | 126.3 | 106.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 858 | A | 28.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | 80.7 | 103.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 859 | A | 29.5 | Very low | 30.2 | Very low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | -167.2 | 125.8 | 129.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 860 | L | 29.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | 58.2 | 102.5 | 144 | -52.8 | 172 | 0 | 0 | 0 | 122.6 | ||||
| 861 | F | 29 | Very low | 30.3 | Very low | 173 Ų | 173 | 122.1 Ų | 122.1 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | 57.2 | 127.4 | 130.9 | -66.6 | -78.3 | 0 | 0 | 0 | 125 | ||||
| 862 | D | 28.1 | Very low | 30.2 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 73.7 | 145.9 | 133.9 | -58.7 | -11.6 | 0 | 0 | 0 | 124.5 | ||||
| 863 | D | 29.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | cis | -167.5 | 175.8 | -32.3 | -155.7 | 1.2 | 0 | 0 | 0 | 111.8 | ||||
| 864 | I | 29.1 | Very low | 30.2 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 59% | 0.585 | 74% | 0.743 | S | S | * | * | trans | 67.8 | 115.9 | 154.9 | -56.4 | 151.1 | 0 | 0 | 0 | 120 | ||||
| 865 | H | 31.2 | Very low | 30.2 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | -174.9 | 104.6 | 109.3 | -108.2 | -65.2 | 0 | 0 | 0 | 115 | |||||
| 866 | T | 32.1 | Very low | 30.4 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | 41.2 | 150.2 | 127.3 | 62.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 867 | V | 34.7 | Very low | 30.4 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | -158.9 | 118.3 | 59.2 | 164.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 868 | Y | 31.3 | Very low | 30.7 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | 59.4 | 160.7 | 140.6 | -79.3 | -107 | 0 | 0 | 0 | 122.3 | T870 | Y868-T870 HydrophobicContact CD1-CG2 3.85Å; Y868-T870 HydrophobicContact CE1-CG2 3.93Å | ||
| 869 | P | 40.1 | Very low | 31 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | cis | -129.9 | 133.4 | 9 | 35.5 | -16.5 | 0 | 0 | 0 | 118.7 | ||||
| 870 | T | 31 | Very low | 31.6 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 64% | 0.638 | 74% | 0.744 | S | S | * | * | trans | 62.4 | 152.2 | 133.5 | 63 | 0 | 0 | 0 | 0 | 122.5 | Y868 | Y868-T870 HydrophobicContact CD1-CG2 3.85Å; Y868-T870 HydrophobicContact CE1-CG2 3.93Å | ||
| 871 | I | 30 | Very low | 31.8 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | cis | -162.9 | 117.1 | -21.4 | -108.5 | 163.8 | 0 | 0 | 0 | 104.1 | ||||
| 872 | S | 28 | Very low | 32 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | 81.7 | 156.7 | 96.7 | -45.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 873 | Q | 28.8 | Very low | 32.2 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -98.9 | 149.4 | -174.5 | -62 | 143.5 | -69.5 | 0 | 0 | 112 | ||||
| 874 | D | 27 | Very low | 32.4 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -89.4 | 132 | 169.1 | -82.5 | -47.1 | 0 | 0 | 0 | 112.4 | ||||
| 875 | M | 29.2 | Very low | 32.6 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | -137.4 | 159.4 | 146.7 | -80.3 | -132.8 | -65.4 | 0 | 0 | 109.2 | F877 | M875-F877 PolarHBondContact O-N 2.97Š| ||
| 876 | V | 34.5 | Very low | 32.7 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -88.1 | 112.5 | -144.4 | 165.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 877 | F | 30.5 | Very low | 32.8 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | trans | 56 | 134 | 138.8 | -78.6 | -81.3 | 0 | 0 | 0 | 124.8 | M875 | M875-F877 PolarHBondContact O-N 2.97Š| ||
| 878 | H | 32.1 | Very low | 32.8 | Very low | 156 Ų | 156 | 136 Ų | 136 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 73.2 | 89.8 | 145 | -66.2 | -43.1 | 0 | 0 | 0 | 123.1 | ||||
| 879 | S | 35.5 | Very low | 32.9 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 31.7 | 157.6 | 100.2 | -51.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 880 | P | 43.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | cis | -145.8 | -172.5 | -29.9 | 40.6 | -21.5 | 0 | 0 | 0 | 116.2 | ||||
| 881 | S | 32.6 | Very low | 32.7 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 97.5 | 144.9 | 142.4 | -80.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 882 | D | 33.7 | Very low | 32.9 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 70.1 | 139.7 | 154.9 | -55.5 | -7.2 | 0 | 0 | 0 | 119.7 | ||||
| 883 | D | 32.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | cis | -166.3 | 166.9 | -17.1 | -155.2 | -9.3 | 0 | 0 | 0 | 111.3 | ||||
| 884 | G | 34.3 | Very low | 33.3 | Very low | 54 Ų | 54 | 134.7 Ų | 134.7 | 56% | 0.557 | 76% | 0.756 | S | S | * | * | trans | 127 | 105.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 885 | F | 32.2 | Very low | 33.7 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | 64.4 | 145 | 146.2 | -72.1 | -96.7 | 0 | 0 | 0 | 123.8 | ||||
| 886 | I | 33.9 | Very low | 33.8 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | cis | -173.6 | 155.3 | -47.4 | -105.9 | 162.8 | 0 | 0 | 0 | 112 | ||||
| 887 | S | 34.1 | Very low | 33.7 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 76.3 | 145.6 | 165.2 | -74.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 888 | A | 35.3 | Very low | 34.3 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | cis | -167.4 | 141.4 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 889 | H | 32.4 | Very low | 34.3 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | trans | 54.3 | 98.3 | 144.1 | -74.3 | -93.9 | 0 | 0 | 0 | 125.4 | ||||
| 890 | S | 33 | Very low | 34.1 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | 49.6 | 160 | 95.9 | -47.6 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 891 | T | 34.8 | Very low | 33.4 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | trans | 87.2 | 142.2 | 161.4 | 68.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 892 | S | 32.6 | Very low | 33.4 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 57% | 0.573 | 71% | 0.714 | S | S | * | * | cis | -168.3 | 156 | -7.5 | -109.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 893 | E | 33.5 | Very low | 33.2 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | trans | 46.4 | 151.8 | 136.3 | -64 | 153.2 | 141.5 | 0 | 0 | 122 | ||||
| 894 | E | 32.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | cis | -164.5 | 167.6 | -8.4 | -124.2 | -168.1 | 137.2 | 0 | 0 | 114 | ||||
| 895 | L | 34.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 67% | 0.665 | 70% | 0.701 | S | S | * | * | trans | 67.9 | 134.9 | 146 | -73.3 | 165.9 | 0 | 0 | 0 | 127.4 | ||||
| 896 | D | 31.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | 77.5 | 107.8 | 139 | -80.4 | -16.9 | 0 | 0 | 0 | 127.6 | ||||
| 897 | H | 33.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | 45.8 | 152.3 | 109.4 | -75.4 | 97.2 | 0 | 0 | 0 | 123.2 | |||||
| 898 | P | 43.3 | Very low | 32.3 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | cis | -151.5 | -178.4 | -43.6 | 44.1 | -25.5 | 0 | 0 | 0 | 117.1 | ||||
| 899 | Q | 31.8 | Very low | 31.9 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | 70.4 | 127.5 | 149.7 | -60.3 | -145.3 | -13.5 | 0 | 0 | 123.9 | ||||
| 900 | H | 30.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | 92.6 | 115.5 | 128.5 | -89.7 | -15.9 | 0 | 0 | 0 | 123.8 | |||||
| 901 | R | 29.1 | Very low | 31.5 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | 74.7 | 148.2 | 132.6 | -69.4 | 174.5 | 145.3 | 147.2 | -9.2 | 118 | ||||
| 902 | H | 31.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | cis | -161.6 | 160.1 | -2.6 | -120.5 | -38 | 0 | 0 | 0 | 112.4 | ||||
| 903 | H | 30.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 58% | 0.579 | 72% | 0.72 | S | S | * | * | trans | 69.2 | 117.7 | 145 | -68.5 | -54.1 | 0 | 0 | 0 | 124.1 | ||||
| 904 | H | 29.1 | Very low | 31.1 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | 80.4 | 108.4 | 124.7 | -71.1 | -47.9 | 0 | 0 | 0 | 125.1 | |||||
| 905 | S | 28.5 | Very low | 31.1 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | 91.7 | 159.6 | 110.7 | -62.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 906 | S | 30.9 | Very low | 30.9 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 80.4 | 101.5 | 163.5 | 13.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 907 | S | 30.1 | Very low | 30.9 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -19.3 | 148.4 | 142.4 | -34.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 908 | F | 29.3 | Very low | 30.8 | Very low | 201 Ų | 201 | 129.2 Ų | 129.2 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | -159.8 | 170.5 | 118.1 | -128.7 | -96.1 | 0 | 0 | 0 | 113 | |||||
| 909 | L | 27 | Very low | 30.3 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | -82.8 | 180 | 175.8 | -75.6 | 164.3 | 0 | 0 | 0 | 112.9 | ||||
| 910 | V | 25.6 | Very low | 30.4 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 111 | 146.7 | 155 | -176.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 911 | T | 30.9 | Very low | 30.4 | Very low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | trans | 63.1 | 94.3 | 172.7 | 31.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 912 | V | 31.6 | Very low | 30.4 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | trans | -112.3 | 125.4 | 134.9 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 913 | S | 30.4 | Very low | 30.3 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | trans | -151.2 | 140.2 | 173.6 | -65.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 914 | T | 30.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 18.2 | 132.4 | 147.3 | 57.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 915 | S | 31.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 118.5 Ų | 118.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | cis | 174.3 | 166.2 | 12.1 | 37.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 916 | G | 31 | Very low | 30.5 | Very low | 61 Ų | 61 | 120 Ų | 120 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | cis | 143.4 | 134.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 917 | S | 30.8 | Very low | 31 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 63.6 | 153.3 | -176.8 | 77.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 918 | V | 31.9 | Very low | 31.2 | Very low | 134 Ų | 134 | 119 Ų | 119 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | cis | -136.8 | 147.9 | 13.4 | 173 | 0 | 0 | 0 | 0 | 109.5 | V920 | V918-V920 HydrophobicContact CG1-CG2 4.48Š| ||
| 919 | G | 34.1 | Very low | 31.3 | Very low | 76 Ų | 76 | 118 Ų | 118 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | -179.6 | 114.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 920 | V | 32.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -132.1 | 141.5 | -170.9 | -156.8 | 0 | 0 | 0 | 0 | 109.2 | V918 | V918-V920 HydrophobicContact CG1-CG2 4.48Š| ||
| 921 | S | 31.8 | Very low | 32 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | 62.6 | 151.7 | 170.9 | 14.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 922 | D | 28.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | cis | -153.1 | 168.1 | -2.6 | -121.4 | -29 | 0 | 0 | 0 | 114.3 | ||||
| 923 | C | 28.1 | Very low | 32 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 72% | 0.716 | 74% | 0.739 | S | S | * | * | trans | -13.5 | 164.4 | 151.6 | -68.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 924 | S | 29.5 | Very low | 32.6 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | cis | 177.4 | 151.2 | -15.8 | -89.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 925 | S | 32.5 | Very low | 32.6 | Very low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -173.1 | 149.6 | 151.3 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 926 | L | 31.3 | Very low | 32.5 | Very low | 128 Ų | 128 | 118.2 Ų | 118.2 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | cis | -168.8 | 174.6 | -15 | -98.7 | 174.1 | 0 | 0 | 0 | 105.8 | N928 | L926-N928 HydrophobicContact CD2-CB 3.88Å; L926-N928 VanDerWaalsContact CD2-ND2 3.27Å; L926-N928 WeakPolarHBondContact CD2-ND2 3.4Å | ||
| 927 | P | 41.9 | Very low | 32.6 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | cis | -107.8 | 160.4 | -3.4 | 41.6 | -31.3 | 0 | 0 | 0 | 112.7 | ||||
| 928 | N | 32.6 | Very low | 33.1 | Very low | 95 Ų | 95 | 123 Ų | 123 | 51% | 0.508 | 74% | 0.744 | S | S | . | * | cis | 67.2 | 139.7 | 47.7 | -77.5 | 6.1 | 0 | 0 | 0 | 114.5 | L926 | L926-N928 HydrophobicContact CD2-CB 3.88Å; L926-N928 VanDerWaalsContact CD2-ND2 3.27Å; L926-N928 WeakPolarHBondContact CD2-ND2 3.4Å | ||
| 929 | F | 33.1 | Very low | 33.3 | Very low | 178 Ų | 178 | 120.3 Ų | 120.3 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | cis | -133.9 | 150 | 30.8 | -86.7 | -103.9 | 0 | 0 | 0 | 116.9 | ||||
| 930 | Y | 33.7 | Very low | 33.4 | Very low | 190 Ų | 190 | 127.2 Ų | 127.2 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | trans | 12 | 158 | 135 | -66.1 | -104.9 | 0 | 0 | 0 | 122.3 | ||||
| 931 | A | 32.7 | Very low | 33.2 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | cis | -175.9 | 142.5 | -25.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 932 | S | 32.1 | Very low | 33.4 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 39.7 | 144.2 | 150.7 | -54.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 933 | N | 29.4 | Very low | 33.7 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | 85.4 | 155.2 | 161.2 | -73.5 | -2.3 | 0 | 0 | 0 | 119 | ||||
| 934 | P | 44 | Very low | 33.7 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -115.3 | 175.6 | -139.5 | 41.7 | -35.4 | 0 | 0 | 0 | 117.2 | ||||
| 935 | V | 30 | Very low | 34 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | trans | 134.2 | 130.3 | 152.5 | 170.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 936 | S | 30.4 | Very low | 33.8 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 52.7 | 107.3 | 159.6 | -60.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 937 | I | 33.3 | Very low | 33.8 | Very low | 161 Ų | 161 | 132 Ų | 132 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | 21.7 | 143.5 | 102.4 | -59.5 | 173 | 0 | 0 | 0 | 117.4 | |||||
| 938 | P | 41.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -124.9 | 161.4 | 7.2 | 31.7 | -11.4 | 0 | 0 | 0 | 115.4 | ||||
| 939 | G | 35 | Very low | 33.5 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | 110.3 | 158.5 | 84.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 940 | K | 35.7 | Very low | 33.7 | Very low | 220 Ų | 220 | 132.1 Ų | 132.1 | 96% | 0.957 | 79% | 0.793 | S | S | * | * | cis | -165.8 | 137.5 | -1.4 | -178.2 | -176.3 | -175.6 | -177.4 | 0 | 110 | ||||
| 941 | G | 30.2 | Very low | 33.8 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 147.4 | 146.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 942 | G | 34.8 | Very low | 33.7 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 116.5 | 126.6 | 170 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 943 | N | 35 | Very low | 33.6 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -55.6 | 147.1 | -174.7 | -53.7 | -27.6 | 0 | 0 | 0 | 117.5 | ||||
| 944 | N | 29 | Very low | 33.6 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | 66 | 156.4 | 145.3 | -60.6 | -10 | 0 | 0 | 0 | 120.7 | ||||
| 945 | S | 36 | Very low | 32.8 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | 54.7 | 95.2 | 171 | -60.7 | 0 | 0 | 0 | 0 | 118 | D947 | S945-D947 PolarHBondContact O-N 3.37Š| ||
| 946 | K | 28 | Very low | 32.7 | Very low | 216 Ų | 216 | 139.1 Ų | 139.1 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -76 | 67.9 | 152.6 | -74.5 | -175.8 | 176 | 178.9 | 0 | 110.1 | ||||
| 947 | D | 31 | Very low | 32.6 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -164.7 | 144 | -178 | -103.6 | -35.4 | 0 | 0 | 0 | 108.6 | S945 | S945-D947 PolarHBondContact O-N 3.37Š| ||
| 948 | V | 41.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | cis | -139.3 | 136 | 1.4 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 949 | K | 27.8 | Very low | 32 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -160.8 | 93.6 | 157 | -122.9 | 170.8 | -173.7 | 176.3 | 0 | 115.1 | L951 | K949-L951 WeakPolarHBondContact O-CD1 3.48Å; K949-L951 WeakPolarHBondContact O-CG 3.47Å; K949-L951 PolarHBondContact O-N 2.75Å | ||
| 950 | G | 36.7 | Very low | 31.8 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 34.8 | 70.2 | 152 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q952 | G950-Q952 VanDerWaalsContact C-N 3.29Å; G950-Q952 PolarHBondContact O-N 3.46Å | ||
| 951 | L | 35.9 | Very low | 31.7 | Very low | 173 Ų | 173 | 140 Ų | 140 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -86.3 | 60.7 | -172.9 | -66.6 | 109.6 | 0 | 0 | 0 | 114.1 | K949 | K949-L951 WeakPolarHBondContact O-CD1 3.48Å; K949-L951 WeakPolarHBondContact O-CG 3.47Å; K949-L951 PolarHBondContact O-N 2.75Å | ||
| 952 | Q | 29.8 | Very low | 31.8 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -99.7 | 81.8 | 170.6 | -178.5 | 75 | 78.7 | 0 | 0 | 109.7 | G950 | G950-Q952 VanDerWaalsContact C-N 3.29Å; G950-Q952 PolarHBondContact O-N 3.46Å | ||
| 953 | M | 30.5 | Very low | 31.7 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -130.5 | 156 | 169 | -77.6 | -61.4 | -81.7 | 0 | 0 | 111.8 | ||||
| 954 | R | 29 | Very low | 31.5 | Very low | 217 Ų | 217 | 143.7 Ų | 143.7 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -144.9 | 135 | -155.8 | 169.6 | -179.1 | 175.8 | -173.4 | 1 | 111 | ||||
| 955 | C | 27 | Very low | 31.8 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | 65.8 | 142.8 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 956 | G | 28.7 | Very low | 31.7 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | cis | 169.7 | -159.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 957 | F | 29.3 | Very low | 31.9 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | 80.6 | 125.2 | 167.2 | -82.4 | -89.4 | 0 | 0 | 0 | 120.2 | ||||
| 958 | L | 30.6 | Very low | 31.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 69.7 | 138.1 | 155.8 | -49.3 | 170 | 0 | 0 | 0 | 117.6 | ||||
| 959 | D | 31.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | cis | -150.5 | 145.9 | -6.5 | -126.4 | -28.5 | 0 | 0 | 0 | 113.8 | ||||
| 960 | S | 30.1 | Very low | 32.1 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | 27.6 | 139.3 | 133.2 | -56.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 961 | I | 34 | Very low | 31.9 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | -157.8 | 125.3 | 75.9 | -89.9 | 164.9 | 0 | 0 | 0 | 112.1 | |||||
| 962 | T | 32.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | trans | 43.4 | 145.2 | 150.4 | 66.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 963 | C | 32.7 | Very low | 31.6 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | cis | -167.7 | 152 | -4.1 | -111.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 964 | Q | 31.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | 43.8 | 149.4 | 135.8 | -63.3 | 166.9 | -16 | 0 | 0 | 121.7 | ||||
| 965 | S | 35 | Very low | 31.6 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | cis | 169.4 | 150.4 | -13.6 | 56.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 966 | D | 32.7 | Very low | 31.9 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | cis | -167.5 | 179.5 | -6.6 | -150.2 | 102.1 | 0 | 0 | 0 | 110.4 | ||||
| 967 | N | 32.4 | Very low | 32 | Very low | 49 Ų | 49 | 123.7 Ų | 123.7 | 26% | 0.262 | 68% | 0.677 | S | S | . | * | trans | 61.9 | -160.1 | 168.4 | -89.2 | -125.5 | 0 | 0 | 0 | 115.3 | Q445 I446 Q448 | Q445-N967 CarbonylContact C-O 3.45Å; I446-N967 PolarHBondContact N-O 3.06Å; I446-N967 CarbonylContact O-C 3.33Å; I446-N967 VanDerWaalsContact O-CA 3.25Å; I446-N967 WeakPolarHBondContact O-CA 3.46Å; I446-N967 PolarHBondContact O-OD1 2.84Å; Q448-N967 PolarHBondContact NE2-OD1 3.43Å | ||
| 968 | N | 32.5 | Very low | 32.3 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | cis | -147.7 | 177.5 | 3.6 | -168.8 | 53.7 | 0 | 0 | 0 | 112.3 | I446 S447 | I446-N968 CarbonylContact O-C 3.52Å; I446-N968 WeakPolarHBondContact O-CA 3.47Å; I446-N968 PolarHBondContact O-N 3.48Å; S447-N968 CarbonylContact O-C 3.53Å; S447-N968 VanDerWaalsContact O-C 3.26Å; S447-N968 WeakPolarHBondContact O-CA 3.38Å | ||
| 969 | L | 30 | Very low | 32.4 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 58% | 0.576 | 67% | 0.669 | S | S | * | * | trans | -158.4 | 178.6 | -179.8 | -131.9 | 72.3 | 0 | 0 | 0 | 108.6 | S447 | S447-L969 VanDerWaalsContact C-CB 3.44Å; S447-L969 WeakPolarHBondContact O-CB 3.15Å; S447-L969 PolarHBondContact O-N 2.75Å | ||
| 970 | P | 41.5 | Very low | 32.5 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | cis | -142.9 | -167.3 | -8.3 | 45.3 | -26.1 | 0 | 0 | 0 | 116.8 | ||||
| 971 | Q | 32.4 | Very low | 32.6 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | trans | 76.5 | 127.2 | 144.3 | -79.5 | -166.5 | -94 | 0 | 0 | 125.6 | ||||
| 972 | Y | 30.6 | Very low | 32.7 | Very low | 192 Ų | 192 | 122.4 Ų | 122.4 | 75% | 0.753 | 67% | 0.668 | S | S | * | * | trans | 70.5 | 159.8 | 130.2 | -74.9 | -144.5 | 0 | 0 | 0 | 118.5 | ||||
| 973 | D | 30 | Very low | 32.7 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | cis | -151.3 | 170.2 | 5.7 | -141.7 | -24 | 0 | 0 | 0 | 114.8 | ||||
| 974 | S | 30.6 | Very low | 32.7 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | 9.1 | 163.8 | 141.3 | -67.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 975 | A | 29.1 | Very low | 32.7 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 65% | 0.653 | 68% | 0.683 | S | S | * | * | cis | 179.1 | -174.9 | -20 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 976 | Q | 32.1 | Very low | 32.7 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | trans | 70.8 | 160.3 | 160.1 | -64.8 | -178 | 4.7 | 0 | 0 | 118.3 | ||||
| 977 | S | 30.5 | Very low | 32.8 | Very low | 95 Ų | 95 | 120.3 Ų | 120.3 | 66% | 0.664 | 69% | 0.685 | S | S | * | * | cis | -172.2 | 173.2 | -29 | 64.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 978 | T | 36.5 | Very low | 32.8 | Very low | 114 Ų | 114 | 125 Ų | 125 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | cis | -121.1 | -131.3 | 1.7 | 34.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 979 | N | 32.6 | Very low | 32.6 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | cis | -162 | -168.7 | -9.1 | -131.8 | -28.2 | 0 | 0 | 0 | 107.1 | ||||
| 980 | L | 32.6 | Very low | 32.5 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | cis | -156.6 | 148.5 | 4.8 | -132.9 | 168.3 | 0 | 0 | 0 | 109.5 | ||||
| 981 | Q | 32.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 66% | 0.659 | 73% | 0.727 | S | S | * | * | trans | 52 | 115.5 | 157.8 | -139 | 59 | 12.9 | 0 | 0 | 124.7 | ||||
| 982 | Q | 35.8 | Very low | 31.7 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 86 | 125.4 | 141.1 | -89.7 | 170.4 | 10.7 | 0 | 0 | 124.9 | ||||
| 983 | Q | 33.6 | Very low | 31.5 | Very low | 190 Ų | 190 | 127.6 Ų | 127.6 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | 77.8 | 156.4 | 153.2 | -65.3 | -171.2 | -7.4 | 0 | 0 | 120.3 | ||||
| 984 | A | 32.7 | Very low | 31.3 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 88% | 0.876 | 74% | 0.736 | S | S | * | * | trans | -93.4 | 164.4 | -153.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 985 | G | 31.6 | Very low | 31.3 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | 152.3 | 154.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 986 | S | 34.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | 71.1 | 135.4 | 170.9 | -159.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 987 | S | 34.9 | Very low | 31.2 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -160.5 | 139.3 | -18.1 | -85.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 988 | N | 31.2 | Very low | 31.1 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | 30.3 | 136.7 | 139.1 | -50.3 | -9.1 | 0 | 0 | 0 | 121.4 | ||||
| 989 | S | 30.1 | Very low | 30.9 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | cis | 112.3 | 119.5 | 9.6 | 76.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 990 | S | 28 | Very low | 30.9 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | trans | 65.8 | 119.8 | 131.9 | 67.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 991 | I | 26 | Very low | 30.7 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | 70.4 | 164.6 | 123.5 | -52.7 | 165.5 | 0 | 0 | 0 | 119.3 | |||||
| 992 | I | 29.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | trans | 85.1 | 100.9 | 171.4 | -48.7 | -63.8 | 0 | 0 | 0 | 114.1 | ||||
| 993 | R | 26.7 | Very low | 30.4 | Very low | 218 Ų | 218 | 123.8 Ų | 123.8 | 82% | 0.823 | 69% | 0.693 | S | S | * | * | 89 | 114.5 | 60.5 | -86.7 | -174 | 170.6 | 169.9 | -1.8 | 115.9 | |||||
| 994 | S | 26.3 | Very low | 30.2 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | trans | 61 | 128.8 | 134.9 | -49.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 995 | S | 30.9 | Very low | 30 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | 175.4 | 117.5 | 107 | -76.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 996 | N | 30.6 | Very low | 29.8 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | 60.2 | 109.5 | 125 | -60.1 | -10.7 | 0 | 0 | 0 | 124.5 | |||||
| 997 | F | 28.6 | Very low | 29.4 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 77% | 0.768 | 69% | 0.686 | S | S | * | * | 85.2 | 124.2 | 113.4 | -79.8 | -42.7 | 0 | 0 | 0 | 125.7 | |||||
| 998 | I | 28.1 | Very low | 29.5 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 53% | 0.528 | 69% | 0.685 | S | S | . | * | 105.1 | 143.8 | 118.1 | -89.4 | 169.5 | 0 | 0 | 0 | 124.8 | Q461 | Q461-I998 PolarHBondContact NE2-O 3.47Š| |||
| 999 | K | 31 | Very low | 29.2 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 54% | 0.543 | 68% | 0.683 | S | S | . | * | trans | 72.5 | 155.5 | 158.4 | -93.5 | 164.6 | -175.9 | 179.6 | 0 | 119.4 | Q461 Q462 H463 | Q461-K999 VanDerWaalsContact CD-CB 3.42Å; Q461-K999 HydrophobicContact CG-CB 4.03Å; Q461-K999 WeakPolarHBondContact CG-O 3.4Å; Q462-K999 CarbonylContact C-O 3.26Å; H463-K999 PolarHBondContact CE1-N 3.25Å; H463-K999 PolarHBondContact ND1-O 3.21Å; H463-K999 WeakPolarHBondContact NE2-CA 3.32Å; H463-K999 PolarHBondContact NE2-N 2.87Å | ||
| 1000 | S | 32.6 | Very low | 29.1 | Very low | 40 Ų | 40 | 127.2 Ų | 127.2 | 28% | 0.28 | 68% | 0.683 | S | S | . | * | cis | -140.5 | 139.3 | -11.7 | 149.7 | 0 | 0 | 0 | 0 | 112.8 | Q462 H463 | Q462-S1000 PolarHBondContact NE2-O 3.23Å; Q462-S1000 PolarHBondContact OE1-O 3.08Å; Q462-S1000 PolarHBondContact OE1-OG 3.23Å; H463-S1000 VanDerWaalsContact CB-N 3.31Å; H463-S1000 WeakPolarHBondContact CB-O 3.23Å; H463-S1000 PolarHBondContact CD2-N 3.19Å; H463-S1000 PolarHBondContact N-O 3.19Å; H463-S1000 VanDerWaalsContact N-O 3.11Å | ||
| 1001 | N | 28.3 | Very low | 29.1 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 45% | 0.449 | 70% | 0.699 | S | S | . | * | B | Isolated β-bridge | trans | -58 | 155.5 | -174.5 | -97.5 | -56.4 | 0 | 0 | 0 | 116 | Q462 L464 | Q462-N1001 PolarHBondContact NE2-O 2.6Å; L464-N1001 VanDerWaalsContact CB-OD1 3.27Å; L464-N1001 WeakPolarHBondContact CB-OD1 3.34Å; L464-N1001 HydrophobicContact CD1-CB 4.43Å; L464-N1001 WeakPolarHBondContact CD1-ND2 3.28Å; L464-N1001 WeakPolarHBondContact CD1-OD1 3.29Å |
| 1002 | Q | 33.3 | Very low | 29.3 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | 170.5 | 126 | 134.1 | -93.2 | 148.7 | 90.6 | 0 | 0 | 109.9 | ||||
| 1003 | H | 29.2 | Very low | 29.4 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.745 | 70% | 0.697 | S | S | * | * | cis | 103.9 | 147.2 | 17.6 | -154 | -79.9 | 0 | 0 | 0 | 114.8 | ||||
| 1004 | I | 30.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 74% | 0.744 | 70% | 0.695 | S | S | * | * | trans | 80.5 | 108.4 | -178.7 | -50.6 | 179.2 | 0 | 0 | 0 | 113.3 | ||||
| 1005 | V | 28.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | 81.5 | 123.7 | 59.1 | 173.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1006 | G | 28.5 | Very low | 29.7 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | trans | 151.6 | 75.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1007 | W | 25.4 | Very low | 29.8 | Very low | 246 Ų | 246 | 134.2 Ų | 134.2 | 93% | 0.932 | 70% | 0.703 | S | S | * | * | trans | 63.7 | 171.1 | 136.4 | -81.1 | 67.4 | 0 | 0 | 0 | 120.4 | ||||
| 1008 | P | 36.7 | Very low | 30 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 63% | 0.63 | 70% | 0.703 | S | S | * | * | trans | -122.5 | -178 | -141.5 | 46.1 | -38.8 | 0 | 0 | 0 | 118.3 | ||||
| 1009 | S | 24.8 | Very low | 30.1 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | 82.1 | 131.5 | 152.1 | -64.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1010 | S | 27.4 | Very low | 29.9 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | trans | 48.8 | 113.1 | 151.4 | 57.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1011 | F | 28.9 | Very low | 29.8 | Very low | 219 Ų | 219 | 145.3 Ų | 145.3 | 96% | 0.961 | 76% | 0.756 | S | S | * | * | trans | -113.7 | 150.5 | 130.3 | -101.3 | -91.6 | 0 | 0 | 0 | 109.1 | ||||
| 1012 | I | 31.1 | Very low | 30.2 | Very low | 133 Ų | 133 | 147 Ų | 147 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -131.9 | 133.7 | -171.1 | -84.9 | 173.6 | 0 | 0 | 0 | 109 | ||||
| 1013 | D | 30.3 | Very low | 30.9 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 62.4 | 162.3 | 161.2 | -89 | -52.7 | 0 | 0 | 0 | 117.8 | ||||
| 1014 | E | 30.5 | Very low | 30.9 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | -149.1 | 159.7 | 43 | -132.6 | -157.5 | 152.3 | 0 | 0 | 118.5 | ||||
| 1015 | T | 31.2 | Very low | 31.1 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 81.7 | 120.1 | 154.2 | 61.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1016 | G | 30.2 | Very low | 31.6 | Very low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | 117 | 87.7 | 120.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1017 | Y | 31.8 | Very low | 32.3 | Very low | 243 Ų | 243 | 142.4 Ų | 142.4 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | 174.2 | 164.8 | 97.7 | -101 | -77.1 | 0 | 0 | 0 | 112.6 | |||||
| 1018 | H | 32.1 | Very low | 32.6 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | trans | -105.1 | 155.9 | -165.3 | -101.3 | -55.1 | 0 | 0 | 0 | 115.3 | ||||
| 1019 | R | 30.4 | Very low | 32.3 | Very low | 214 Ų | 214 | 135.6 Ų | 135.6 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | 73.4 | 111.3 | 149.3 | -72.6 | 170.8 | 179.5 | -116.5 | -1.5 | 120 | ||||
| 1020 | H | 27 | Very low | 32.6 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | 23 | 118 | 125.7 | -51.7 | -84.6 | 0 | 0 | 0 | 118.8 | |||||
| 1021 | S | 30.8 | Very low | 32.5 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | 179.1 | 123.7 | 100.7 | -73.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1022 | S | 37.6 | Very low | 32.5 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | trans | -141.6 | 171 | 167.5 | -66.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1023 | P | 46 | Very low | 32.1 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | cis | -119.8 | -173.7 | 4.7 | 23.1 | 2.4 | 0 | 0 | 0 | 111.9 | ||||
| 1024 | I | 31 | Very low | 31.9 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | 171.8 | 141.8 | 87.4 | -87.9 | 169.6 | 0 | 0 | 0 | 105.6 | |||||
| 1025 | S | 33.4 | Very low | 31.7 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | cis | -152.6 | 157.6 | -16 | -94.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1026 | S | 38.1 | Very low | 31.4 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 58% | 0.58 | 75% | 0.746 | S | S | * | * | trans | -20.4 | 173 | 133.3 | -29.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1027 | P | 43.7 | Very low | 31.2 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | -106.7 | 139.3 | 88.6 | -16.4 | 33.2 | 0 | 0 | 0 | 113.3 | |||||
| 1028 | V | 30.9 | Very low | 31 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | cis | 66.7 | 121.4 | 43 | 172.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1029 | S | 31.9 | Very low | 30.9 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | cis | -125.3 | 142.7 | 38.5 | -66.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1030 | L | 29.7 | Very low | 30.8 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | 44 | 113 | 130 | -50.8 | 170.5 | 0 | 0 | 0 | 117.8 | |||||
| 1031 | S | 26.9 | Very low | 30.9 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | cis | 79 | 120.3 | 26.5 | 96.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1032 | S | 27.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | 95.9 | 117.8 | 146 | -52.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1033 | N | 24 | Very low | 30.1 | Very low | 149 Ų | 149 | 120.4 Ų | 120.4 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | 82.5 | 133.8 | 138.5 | -64.7 | -4.1 | 0 | 0 | 0 | 122.5 | ||||
| 1034 | S | 25.6 | Very low | 29.4 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | 76.4 | 114 | 143.3 | -61.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1035 | N | 25.2 | Very low | 29.1 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | 46.2 | 98.8 | 130 | -54.4 | -16.9 | 0 | 0 | 0 | 119.4 | |||||
| 1036 | R | 26.1 | Very low | 29 | Very low | 199 Ų | 199 | 121.5 Ų | 121.5 | 75% | 0.751 | 73% | 0.733 | S | S | * | * | 169.6 | 146.8 | 115.4 | -89 | 161.2 | -165.1 | -131.5 | 6.1 | 112.9 | |||||
| 1037 | F | 25.6 | Very low | 28.4 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | -6.4 | 143.5 | 128.1 | -66.3 | -84.2 | 0 | 0 | 0 | 117 | E129 | E129-F1037 HydrophobicContact CG-CB 4.42Å; E129-F1037 WeakPolarHBondContact OE1-CB 3.48Å | |||
| 1038 | S | 28.2 | Very low | 27.9 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 48% | 0.476 | 74% | 0.742 | S | S | . | * | cis | -172.7 | -162.9 | -14.7 | -25 | 0 | 0 | 0 | 0 | 110 | E129 | E129-S1038 WeakPolarHBondContact CG-OG 3.37Å; E129-S1038 WeakPolarHBondContact OE1-CA 3.4Å; E129-S1038 WeakPolarHBondContact OE1-CB 3.36Å; E129-S1038 PolarHBondContact OE1-N 3.41Å; E129-S1038 PolarHBondContact OE1-OG 2.63Å; E129-S1038 WeakPolarHBondContact OE2-CB 3.23Å | ||
| 1039 | S | 29.2 | Very low | 27.8 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | 54.1 | 110 | 150.4 | -47.9 | 0 | 0 | 0 | 0 | 120.9 | E129 | E129-S1039 WeakPolarHBondContact OE2-CB 3.21Å; E129-S1039 PolarHBondContact OE2-OG 3.37Å | ||
| 1040 | I | 29.7 | Very low | 27.6 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -137 | 133.9 | 147.4 | -86 | -173.7 | 0 | 0 | 0 | 110.2 | ||||
| 1041 | V | 27.4 | Very low | 27.6 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | trans | -110.6 | 131.7 | 154 | 172.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1042 | G | 26.7 | Very low | 27.8 | Very low | 62 Ų | 62 | 135.3 Ų | 135.3 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | 168.9 | 118.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1043 | T | 25.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -76.9 | 139.4 | 172.8 | 41.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1044 | P | 31.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -87 | 105.7 | 164.3 | 32.2 | -29.8 | 0 | 0 | 0 | 110.5 | G1046 | P1044-G1046 PolarHBondContact O-N 3.38Š| ||
| 1045 | L | 24.5 | Very low | 28.4 | Very low | 176 Ų | 176 | 135 Ų | 135 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -75.5 | 76 | 165.6 | -102.9 | 170.4 | 0 | 0 | 0 | 110.4 | R1047 | L1045-R1047 PolarHBondContact O-N 3.21Š| ||
| 1046 | G | 30 | Very low | 28.6 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | -89.3 | 61.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1044 | P1044-G1046 PolarHBondContact O-N 3.38Š| ||
| 1047 | R | 26.2 | Very low | 28.9 | Very low | 233 Ų | 233 | 127.5 Ų | 127.5 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -35.2 | 128.2 | 174.6 | -155.2 | -174.4 | -151.2 | 170.5 | 6.2 | 114.9 | L1045 | L1045-R1047 PolarHBondContact O-N 3.21Š| ||
| 1048 | V | 32.4 | Very low | 29.1 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 158.2 | 114.3 | 126.8 | 163.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1049 | N | 29.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 29.7 | 118.3 | 146.1 | -54.2 | -6.8 | 0 | 0 | 0 | 123.2 | ||||
| 1050 | Q | 26.6 | Very low | 29.3 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | 41.7 | 118.1 | 123.2 | -58.7 | -176.1 | 5.9 | 0 | 0 | 120.8 | |||||
| 1051 | P | 30.6 | Very low | 29.3 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 132.9 | 154.7 | 33.6 | -30.4 | 0 | 0 | 0 | 111.3 | ||
| 1052 | I | 30.6 | Very low | 29.4 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 149.3 | 175.4 | -67.8 | 178.2 | 0 | 0 | 0 | 111 | ||
| 1053 | S | 28.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 159 | -157 | 48.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1054 | S | 30.7 | Very low | 29.8 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -165.8 | 95.9 | 149.3 | 24.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1055 | V | 30.2 | Very low | 29.5 | Very low | 123 Ų | 123 | 132 Ų | 132 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | 56.8 | 106.4 | 80 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1056 | S | 30.7 | Very low | 29.6 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | -166.5 | 157.4 | 83.3 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1057 | G | 31.8 | Very low | 29.5 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 91.5 | 81.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1058 | V | 30.6 | Very low | 29.5 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | 61.6 | 92.4 | 77.6 | -173.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 1059 | D | 29 | Very low | 29.3 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | -159 | 173.7 | 108.4 | -126.8 | -35.9 | 0 | 0 | 0 | 111.7 | |||||
| 1060 | L | 31.9 | Very low | 29.2 | Very low | 151 Ų | 151 | 121.6 Ų | 121.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 167 | -164 | -74.2 | 167.7 | 0 | 0 | 0 | 116.6 | ||||
| 1061 | N | 29.1 | Very low | 29.2 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 80.1 | 83.8 | 159.6 | -66.4 | -14.5 | 0 | 0 | 0 | 121.3 | ||||
| 1062 | A | 29.5 | Very low | 29 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | 66.7 | 130.2 | 100.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1063 | S | 30.8 | Very low | 28.9 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 75.8 | 134.4 | 145.8 | -58 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1064 | G | 30.5 | Very low | 28.7 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | cis | -177.8 | 159.9 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1065 | L | 25.8 | Very low | 28.4 | Very low | 172 Ų | 172 | 117.4 Ų | 117.4 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -138.1 | 136.4 | -175.9 | -102.5 | 165.9 | 0 | 0 | 0 | 110.3 | ||||
| 1066 | A | 26.7 | Very low | 28.1 | Very low | 94 Ų | 94 | 115.4 Ų | 115.4 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 61.5 | 163.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1067 | S | 27.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | -161.6 | 172.4 | -27.4 | -96.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1068 | S | 26.5 | Very low | 27.4 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -44.9 | 135.7 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1069 | A | 27.2 | Very low | 27.1 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 179.6 | 121.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1070 | S | 27.6 | Very low | 27 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | 107 | 99.1 | 41 | 67.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1071 | S | 28 | Very low | 26.9 | Very low | 109 Ų | 109 | 115.4 Ų | 115.4 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 49.2 | 125 | 150.2 | 58.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1072 | S | 26.6 | Very low | 27 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | -175.4 | 166.5 | 118.6 | -81.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1073 | S | 27 | Very low | 27.1 | Very low | 102 Ų | 102 | 115.3 Ų | 115.3 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -85.4 | 168.9 | -165.2 | 47.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1074 | T | 25 | Very low | 27.2 | Very low | 124 Ų | 124 | 113.6 Ų | 113.6 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 2.7 | 135.9 | 150.6 | 58.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1075 | S | 23.9 | Very low | 27.4 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -143.7 | -153.7 | 31.7 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1076 | A | 23.7 | Very low | 27.6 | Very low | 80 Ų | 80 | 118.6 Ų | 118.6 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | cis | -160.2 | 171.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1077 | I | 23 | Very low | 27.8 | Very low | 151 Ų | 151 | 121.8 Ų | 121.8 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | 21.9 | 126.6 | 141.3 | -57.5 | 157.8 | 0 | 0 | 0 | 118.4 | ||||
| 1078 | S | 25 | Very low | 27.8 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | -168 | 140 | 129.7 | -84.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1079 | F | 24 | Very low | 27.9 | Very low | 190 Ų | 190 | 123.4 Ų | 123.4 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 152.5 | 168.8 | -82.4 | -107.8 | 0 | 0 | 0 | 111.8 | ||||
| 1080 | G | 28.8 | Very low | 28 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -125.7 | 106.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1081 | A | 29.6 | Very low | 28.1 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | trans | -77.5 | 155.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1082 | I | 31.1 | Very low | 28.2 | Very low | 164 Ų | 164 | 127 Ų | 127 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -115.9 | 124.5 | 168.4 | -58 | 172.9 | 0 | 0 | 0 | 104.1 | ||||
| 1083 | G | 31.6 | Very low | 28.5 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | 99.8 | 139.5 | 53.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1084 | S | 32.3 | Very low | 28.6 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -167.1 | 155.4 | 17.1 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1085 | R | 33.9 | Very low | 29 | Very low | 223 Ų | 223 | 128 Ų | 128 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | 69.2 | 155.3 | 144.6 | -72.1 | 172 | -135.3 | -109.6 | 3.4 | 119.6 | ||||
| 1086 | I | 31.1 | Very low | 29.4 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | cis | -168.7 | 160.4 | -25.9 | -117 | 177.3 | 0 | 0 | 0 | 110.1 | ||||
| 1087 | H | 30.2 | Very low | 29.8 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | 70.7 | 112.9 | 164.2 | -77.7 | -49.9 | 0 | 0 | 0 | 123.6 | ||||
| 1088 | H | 28.3 | Very low | 30.3 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | 27.8 | 146.1 | 112.6 | -72.7 | -87 | 0 | 0 | 0 | 121.6 | |||||
| 1089 | C | 28.4 | Very low | 31.4 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 66% | 0.662 | 72% | 0.716 | S | S | * | * | cis | -167 | 143.9 | 2.5 | -134.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1090 | S | 29.4 | Very low | 31.7 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 67.2 | 158.5 | 137.1 | -66.2 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1091 | M | 28.7 | Very low | 32 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | 92.4 | 128.9 | 169.7 | -49.4 | -48.7 | 179.1 | 0 | 0 | 116.3 | ||||
| 1092 | T | 31.5 | Very low | 32.1 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | cis | -160.7 | 155.9 | 0 | 8.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1093 | S | 31.2 | Very low | 32.2 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | 61.1 | 121.4 | 149.5 | 57.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1094 | E | 29.6 | Very low | 32.1 | Very low | 178 Ų | 178 | 127 Ų | 127 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | 51.2 | 109.5 | 130.1 | -60 | 157.3 | 146.5 | 0 | 0 | 119 | ||||
| 1095 | S | 33.4 | Very low | 32.1 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | 82.1 | 156.1 | 57.7 | 82.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1096 | T | 32.6 | Very low | 31.9 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | cis | -157 | -178.5 | 16 | -25.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1097 | D | 32.1 | Very low | 31.9 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | trans | 73.1 | 171.1 | 160.5 | -55.1 | -30.7 | 0 | 0 | 0 | 121.1 | ||||
| 1098 | Q | 33.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 42% | 0.421 | 69% | 0.69 | S | S | . | * | trans | -137.2 | 164.2 | -154.4 | -65 | -172.8 | -82.4 | 0 | 0 | 116.1 | T1391 H1392 | Q1098-T1391 HydrophobicContact CB-CG2 3.98Å; Q1098-T1391 PolarHBondContact NE2-O 3.31Å; Q1098-H1392 PolarHBondContact OE1-CE1 3.49Å; Q1098-H1392 VanDerWaalsContact OE1-CE1 3.26Å; Q1098-H1392 VanDerWaalsContact OE1-N 3.11Å; Q1098-H1392 PolarHBondContact OE1-ND1 3.17Å | ||
| 1099 | P | 47.4 | Very low | 32.2 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 46% | 0.461 | 68% | 0.68 | S | S | . | * | trans | -116.1 | -153 | -161.2 | 45.3 | -37.3 | 0 | 0 | 0 | 116.1 | G1389 T1391 | P1099-G1389 VanDerWaalsContact CG-O 3.24Å; P1099-G1389 WeakPolarHBondContact CG-O 3.45Å; P1099-T1391 VanDerWaalsContact C-OG1 3.31Å; P1099-T1391 WeakPolarHBondContact CD-OG1 3.34Å; P1099-T1391 WeakPolarHBondContact O-CB 3.43Å; P1099-T1391 WeakPolarHBondContact O-CG2 3.31Å; P1099-T1391 PolarHBondContact O-OG1 3.01Å | ||
| 1100 | D | 30.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | trans | -159.5 | 151.5 | 165.5 | -146.3 | -9.7 | 0 | 0 | 0 | 116.2 | ||||
| 1101 | N | 35.3 | Very low | 32.5 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | 37.1 | 130.5 | 152 | -94.6 | -65.5 | 0 | 0 | 0 | 127.9 | ||||
| 1102 | N | 31.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 127 Ų | 127 | 68% | 0.684 | 68% | 0.677 | S | S | * | * | 93.6 | 132.9 | 127.1 | -93.4 | -38.4 | 0 | 0 | 0 | 127.8 | |||||
| 1103 | Q | 33 | Very low | 32.6 | Very low | 158 Ų | 158 | 126 Ų | 126 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | 74.7 | 124.2 | 142.3 | -70.5 | -177.5 | 30.4 | 0 | 0 | 125.7 | ||||
| 1104 | S | 30.2 | Very low | 32.5 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | 61.4 | 149.1 | 130.1 | -64.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1105 | T | 33.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | cis | -167.6 | 157.2 | 6.7 | 5.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1106 | R | 29.6 | Very low | 32.8 | Very low | 216 Ų | 216 | 127.8 Ų | 127.8 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | trans | 57.2 | 142.8 | 131.3 | -159.7 | 172.4 | -169.7 | 167.5 | 4 | 120.7 | ||||
| 1107 | S | 30.8 | Very low | 32.6 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | cis | -179.6 | 176.3 | -19.2 | -90.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1108 | Q | 34.8 | Very low | 32.8 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | 73.4 | 156.2 | 144.6 | -82.1 | 168.6 | -58 | 0 | 0 | 119.2 | ||||
| 1109 | Q | 30.4 | Very low | 32.9 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 56% | 0.556 | 71% | 0.706 | S | S | * | * | cis | -160.7 | -159 | -23.7 | -136.7 | 165.8 | -19.8 | 0 | 0 | 106.6 | ||||
| 1110 | Y | 31.5 | Very low | 32.4 | Very low | 180 Ų | 180 | 128 Ų | 128 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | cis | -167.7 | 147.7 | 3.7 | -125.1 | -41.3 | 0 | 0 | 0 | 110 | ||||
| 1111 | S | 32.5 | Very low | 32.6 | Very low | 82 Ų | 82 | 128.5 Ų | 128.5 | 57% | 0.573 | 72% | 0.72 | S | S | * | * | trans | 58 | 169.5 | 140.3 | -65.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 1112 | E | 32.8 | Very low | 32.5 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | cis | -175.7 | 178.3 | -27.5 | -96.2 | 173.9 | -89.6 | 0 | 0 | 108.5 | ||||
| 1113 | C | 28.6 | Very low | 32.6 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | cis | -176.9 | 159.3 | -38.7 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1114 | S | 29.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | 66 | 175.6 | 166.9 | -55.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1115 | T | 32.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | cis | -153 | -167.5 | 8.2 | -25.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1116 | Q | 36.3 | Very low | 32.7 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | cis | -167.8 | 166.3 | -2.7 | -170.6 | 168.1 | 80.2 | 0 | 0 | 106.8 | ||||
| 1117 | G | 28.6 | Very low | 32.7 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | cis | 139.6 | 95.6 | -13 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1118 | G | 36.2 | Very low | 33.2 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | 171.6 | 168.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1119 | I | 35 | Very low | 33.1 | Very low | 163 Ų | 163 | 121.9 Ų | 121.9 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | cis | -150.6 | 155.3 | 1.8 | -46.5 | 173 | 0 | 0 | 0 | 111.3 | ||||
| 1120 | S | 38.5 | Very low | 33.2 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 82.3 | 133.8 | 163.9 | 78.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 1121 | N | 33.5 | Very low | 33.3 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | cis | -162.8 | 162.5 | 2.2 | -118.8 | 2.8 | 0 | 0 | 0 | 109.6 | ||||
| 1122 | I | 34.4 | Very low | 33.4 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -156.3 | -170.7 | -2.1 | -151.8 | 171.9 | 0 | 0 | 0 | 110.1 | ||||
| 1123 | S | 33 | Very low | 33.5 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | 0.2 | 132.9 | 168.8 | -49.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1124 | S | 28.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | cis | 111.9 | 148.2 | 4.9 | 80 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1125 | T | 32.5 | Very low | 33.9 | Very low | 133 Ų | 133 | 123 Ų | 123 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 78.5 | 141.5 | -173.4 | 75.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1126 | T | 37.1 | Very low | 34.1 | Very low | 132 Ų | 132 | 123 Ų | 123 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | cis | -147.3 | 153.5 | 5.5 | -30.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1127 | S | 29 | Very low | 34 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -77.4 | 178.3 | 162.4 | -45 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1128 | P | 42.7 | Very low | 34.4 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | cis | -141.2 | -176.1 | 13.9 | 45.1 | -26.5 | 0 | 0 | 0 | 117.5 | ||||
| 1129 | N | 32.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 68.5 | 136.1 | 167.2 | -58.4 | -12.6 | 0 | 0 | 0 | 116.8 | ||||
| 1130 | Q | 33.3 | Very low | 33.8 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -154.5 | 135.9 | -9.8 | -129.1 | 179.7 | -32.5 | 0 | 0 | 109.8 | D1132 | Q1130-D1132 PolarHBondContact O-N 3.48Š| ||
| 1131 | L | 32.2 | Very low | 33.4 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 38.5 | 75.5 | 147.2 | -57 | 168.3 | 0 | 0 | 0 | 118.8 | ||||
| 1132 | D | 35.9 | Very low | 33.4 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | 178.1 | 132.2 | 104.9 | -106.1 | -15.4 | 0 | 0 | 0 | 112.7 | Q1130 | Q1130-D1132 PolarHBondContact O-N 3.48Š| |||
| 1133 | L | 34.9 | Very low | 33.2 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -133.3 | 144.6 | 171.5 | -75.7 | 82.5 | 0 | 0 | 0 | 108.1 | ||||
| 1134 | G | 33.1 | Very low | 33.1 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | cis | 170.2 | 166.4 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1135 | G | 33.6 | Very low | 33.2 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -74.1 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1136 | T | 37 | Very low | 33.1 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -158.6 | 169.9 | 15.8 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1137 | R | 34 | Very low | 32.7 | Very low | 226 Ų | 226 | 137.6 Ų | 137.6 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 68.9 | 127.5 | 168.6 | -48.9 | -178.5 | 81.2 | 176.7 | 5.6 | 115.8 | ||
| 1138 | T | 35.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -149.3 | 123.4 | -15.7 | 30.3 | 0 | 0 | 0 | 0 | 105.8 | ||
| 1139 | S | 25.5 | Very low | 32.1 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 58.6 | 110.9 | -169.8 | -62 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1140 | S | 33.1 | Very low | 32.1 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | trans | -167.9 | 104.6 | 153.4 | -95.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1141 | R | 31.1 | Very low | 31.9 | Very low | 229 Ų | 229 | 138.9 Ų | 138.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 65.6 | 169 | 140 | -51.5 | 170.3 | -101.2 | -177.7 | -3.6 | 115.1 | ||||
| 1142 | I | 32.4 | Very low | 32 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | cis | -130.1 | 147.5 | 5.9 | -69.4 | 172.1 | 0 | 0 | 0 | 110.3 | ||||
| 1143 | F | 30.8 | Very low | 31.8 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | trans | -10.3 | 137.7 | 160.1 | -86.3 | -102.8 | 0 | 0 | 0 | 122.1 | ||||
| 1144 | S | 30.6 | Very low | 31.7 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | 50.9 | 140.1 | 132.7 | 73.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1145 | H | 30.3 | Very low | 31.5 | Very low | 169 Ų | 169 | 140 Ų | 140 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | cis | -150.4 | 159.6 | 23.8 | -104.6 | -64.7 | 0 | 0 | 0 | 112.4 | ||||
| 1146 | S | 30.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 75.7 | 126.2 | 148.5 | -66.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1147 | I | 30.3 | Very low | 30.9 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 88 | 131.5 | 143 | -66.5 | 166.6 | 0 | 0 | 0 | 118.6 | ||||
| 1148 | N | 29.1 | Very low | 30.9 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | 67.1 | 118.8 | 167.9 | -76.2 | 40.6 | 0 | 0 | 0 | 123 | ||||
| 1149 | D | 29.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | 69.9 | 121.3 | 124.8 | -52.7 | -14.1 | 0 | 0 | 0 | 123.4 | |||||
| 1150 | N | 32.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | 66 | 152.1 | 139.2 | -67.1 | -27.5 | 0 | 0 | 0 | 119.3 | ||||
| 1151 | F | 28.8 | Very low | 30.5 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | cis | -147.7 | 133.5 | -9.9 | -120.7 | -57.5 | 0 | 0 | 0 | 106.6 | ||||
| 1152 | T | 35 | Very low | 30.4 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -138.7 | 142.7 | 164.5 | 44.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1153 | N | 31.3 | Very low | 30.4 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -98.9 | 112.7 | -162.4 | -69.1 | -72.8 | 0 | 0 | 0 | 113.1 | ||||
| 1154 | L | 32.5 | Very low | 30.5 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -130.3 | 149.4 | 148.7 | -86.7 | 96.9 | 0 | 0 | 0 | 108.9 | Q1156 | L1154-Q1156 PolarHBondContact O-N 2.92Å; L1154-Q1156 VanDerWaalsContact O-N 3.12Å | ||
| 1155 | P | 29.4 | Very low | 30.3 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -82.2 | 94.5 | -168.2 | 31.7 | -35.2 | 0 | 0 | 0 | 112.8 | ||||
| 1156 | Q | 31.7 | Very low | 30.7 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 135.7 | 162 | -126.8 | 79.9 | 17.1 | 0 | 0 | 110.2 | L1154 | L1154-Q1156 PolarHBondContact O-N 2.92Å; L1154-Q1156 VanDerWaalsContact O-N 3.12Å |
| 1157 | S | 26.4 | Very low | 31 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127.3 | 176.9 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1158 | P | 33.7 | Very low | 31.3 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 138.3 | 177.4 | 30.8 | -34 | 0 | 0 | 0 | 112.1 | ||
| 1159 | I | 28.6 | Very low | 31.8 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 132 | 175.8 | -63.2 | 162.8 | 0 | 0 | 0 | 109.3 | ||
| 1160 | L | 30.9 | Very low | 32.4 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 136.7 | 163.8 | -72.5 | -179 | 0 | 0 | 0 | 110.7 | S1162 | L1160-S1162 PolarHBondContact O-N 3.4Š|
| 1161 | L | 26.6 | Very low | 33 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -71.7 | 115.5 | -176.7 | -79.6 | 63.7 | 0 | 0 | 0 | 111 | S1163 | L1161-S1163 PolarHBondContact O-N 2.84Š| ||
| 1162 | S | 29.2 | Very low | 34.4 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | -83.2 | 103.3 | 162.6 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | L1160 | L1160-S1162 PolarHBondContact O-N 3.4Š| ||
| 1163 | S | 31 | Very low | 35.5 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -6.2 | 122.9 | 164.2 | 33.3 | 0 | 0 | 0 | 0 | 118.6 | L1161 F1165 | L1161-S1163 PolarHBondContact O-N 2.84Å; S1163-F1165 VanDerWaalsContact C-N 3.3Å; S1163-F1165 PolarHBondContact O-N 3.48Å | ||
| 1164 | P | 32.8 | Very low | 37.3 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 81% | 0.805 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -82.1 | 63.3 | 179 | 36 | -37.3 | 0 | 0 | 0 | 113 | ||
| 1165 | F | 27.8 | Very low | 39.2 | Very low | 192 Ų | 192 | 119.6 Ų | 119.6 | 84% | 0.842 | 68% | 0.678 | S | S | * | * | trans | -125.5 | 60 | 170.4 | -78.1 | -72.6 | 0 | 0 | 0 | 111.4 | S1163 N1167 | S1163-F1165 VanDerWaalsContact C-N 3.3Å; S1163-F1165 PolarHBondContact O-N 3.48Å; F1165-N1167 PolarHBondContact O-N 3.39Å | ||
| 1166 | S | 37.8 | Very low | 41.4 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | -81.8 | 98.3 | 176.7 | -75.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1167 | N | 36.7 | Very low | 43.4 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | trans | 12.6 | 105.8 | 139.1 | 178.6 | 23.1 | 0 | 0 | 0 | 116.9 | F1165 G1169 C1170 | F1165-N1167 PolarHBondContact O-N 3.39Å; N1167-G1169 PolarHBondContact O-N 2.86Å; N1167-G1169 PolarHBondContact OD1-N 3.29Å; N1167-C1170 PolarHBondContact O-N 2.98Å | ||
| 1168 | P | 36.8 | Very low | 46 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -5.3 | -177 | 28.6 | -35.8 | 0 | 0 | 0 | 115.2 | C1170 | P1168-C1170 VanDerWaalsContact C-N 3.35Š|
| 1169 | G | 40.1 | Very low | 48.5 | Very low | 37 Ų | 37 | 116.5 Ų | 116.5 | 38% | 0.381 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.3 | -27.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | N1167 D1171 L1172 E1173 | N1167-G1169 PolarHBondContact O-N 2.86Å; N1167-G1169 PolarHBondContact OD1-N 3.29Å; G1169-D1171 PolarHBondContact O-N 3.09Å; G1169-L1172 PolarHBondContact O-N 3.02Å; G1169-E1173 PolarHBondContact O-N 3.47Å; G1169-E1173 VanDerWaalsContact O-N 3.16Å |
| 1170 | C | 41 | Very low | 51.1 | Low | 44 Ų | 44 | 113.5 Ų | 113.5 | 30% | 0.297 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.3 | -35 | -170.5 | -168.1 | 0 | 0 | 0 | 0 | 113.1 | N1167 P1168 R1174 | N1167-C1170 PolarHBondContact O-N 2.98Å; P1168-C1170 VanDerWaalsContact C-N 3.35Å; C1170-R1174 VanDerWaalsContact O-CB 3.23Å; C1170-R1174 WeakPolarHBondContact O-CB 3.35Å; C1170-R1174 PolarHBondContact O-N 3.06Å |
| 1171 | D | 44.8 | Very low | 53.8 | Low | 79 Ų | 79 | 111.5 Ų | 111.5 | 42% | 0.422 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -76.4 | -33.1 | 179.9 | -73.2 | -61.5 | 0 | 0 | 0 | 113.1 | G1169 R1174 I1175 | G1169-D1171 PolarHBondContact O-N 3.09Å; D1171-R1174 PolarHBondContact O-N 3.13Å; D1171-R1174 IonicContact OD1-CZ 2.69Å; D1171-R1174 IonicContact OD1-NH1 3.39Å; D1171-R1174 PolarHBondContact OD1-NH1 3.27Å; D1171-I1175 WeakPolarHBondContact O-CB 3.47Å; D1171-I1175 WeakPolarHBondContact O-CD1 3.49Å; D1171-I1175 VanDerWaalsContact O-CG1 3.23Å; D1171-I1175 WeakPolarHBondContact O-CG1 3.44Å; D1171-I1175 PolarHBondContact O-N 3.44Å |
| 1172 | L | 58.2 | Low | 56.8 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.3 | -40.1 | 174 | -171.1 | 63.9 | 0 | 0 | 0 | 111.3 | G1169 I1175 T1176 | G1169-L1172 PolarHBondContact O-N 3.02Å; L1172-I1175 PolarHBondContact O-N 2.99Å; L1172-T1176 WeakPolarHBondContact O-CB 3.28Å; L1172-T1176 PolarHBondContact O-N 3.08Å; L1172-T1176 PolarHBondContact O-OG1 3.1Å |
| 1173 | E | 57.9 | Low | 59.6 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 59% | 0.593 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.7 | -44.8 | 172.6 | -170.1 | 168.5 | -146.6 | 0 | 0 | 111.1 | G1169 I1175 T1176 L1177 | G1169-E1173 PolarHBondContact O-N 3.47Å; G1169-E1173 VanDerWaalsContact O-N 3.16Å; E1173-I1175 PolarHBondContact O-N 3.24Å; E1173-T1176 PolarHBondContact O-N 3.36Å; E1173-L1177 HydrophobicContact CG-CD1 4.08Å; E1173-L1177 WeakPolarHBondContact O-CB 3.48Å; E1173-L1177 WeakPolarHBondContact O-CG 3.48Å; E1173-L1177 PolarHBondContact O-N 2.87Å |
| 1174 | R | 69.3 | Low | 62.1 | Low | 126 Ų | 126 | 108 Ų | 108 | 48% | 0.475 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.9 | -39.1 | 174.4 | 179.4 | -179.2 | -68.4 | 138.5 | -0.8 | 113.6 | C1170 D1171 R1178 | C1170-R1174 VanDerWaalsContact O-CB 3.23Å; C1170-R1174 WeakPolarHBondContact O-CB 3.35Å; C1170-R1174 PolarHBondContact O-N 3.06Å; D1171-R1174 PolarHBondContact O-N 3.13Å; D1171-R1174 IonicContact OD1-CZ 2.69Å; D1171-R1174 IonicContact OD1-NH1 3.39Å; D1171-R1174 PolarHBondContact OD1-NH1 3.27Å; R1174-R1178 WeakPolarHBondContact O-CG 3.19Å; R1174-R1178 PolarHBondContact O-N 2.93Å; R1174-R1178 VanDerWaalsContact O-N 3.14Å |
| 1175 | I | 72.4 | Confident | 64.8 | Low | 111 Ų | 111 | 108.1 Ų | 108.1 | 57% | 0.569 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.6 | -40.4 | 176 | -71.4 | 164.4 | 0 | 0 | 0 | 110.6 | D1171 L1172 E1173 R1178 R1179 | D1171-I1175 WeakPolarHBondContact O-CB 3.47Å; D1171-I1175 WeakPolarHBondContact O-CD1 3.49Å; D1171-I1175 VanDerWaalsContact O-CG1 3.23Å; D1171-I1175 WeakPolarHBondContact O-CG1 3.44Å; D1171-I1175 PolarHBondContact O-N 3.44Å; L1172-I1175 PolarHBondContact O-N 2.99Å; E1173-I1175 PolarHBondContact O-N 3.24Å; I1175-R1178 PolarHBondContact O-N 3.03Å; I1175-R1179 PolarHBondContact O-N 3.49Å |
| 1176 | T | 76.4 | Confident | 67.5 | Low | 60 Ų | 60 | 106 Ų | 106 | 37% | 0.368 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 111 | L1172 E1173 R1178 R1179 E1180 | L1172-T1176 WeakPolarHBondContact O-CB 3.28Å; L1172-T1176 PolarHBondContact O-N 3.08Å; L1172-T1176 PolarHBondContact O-OG1 3.1Å; E1173-T1176 PolarHBondContact O-N 3.36Å; T1176-R1178 VanDerWaalsContact C-N 3.29Å; T1176-R1178 PolarHBondContact O-N 3.47Å; T1176-R1179 WeakPolarHBondContact O-CA 3.48Å; T1176-R1179 WeakPolarHBondContact O-CB 3.35Å; T1176-R1179 PolarHBondContact O-N 3.03Å; T1176-E1180 PolarHBondContact O-N 3.26Å |
| 1177 | L | 73.4 | Confident | 69.8 | Low | 99 Ų | 99 | 106.9 Ų | 106.9 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -31.6 | 177.1 | -71.5 | 170.2 | 0 | 0 | 0 | 113 | E1173 L1181 | E1173-L1177 HydrophobicContact CG-CD1 4.08Å; E1173-L1177 WeakPolarHBondContact O-CB 3.48Å; E1173-L1177 WeakPolarHBondContact O-CG 3.48Å; E1173-L1177 PolarHBondContact O-N 2.87Å; L1177-L1181 VanDerWaalsContact O-CB 3.29Å; L1177-L1181 WeakPolarHBondContact O-CB 3.49Å; L1177-L1181 PolarHBondContact O-N 2.94Å |
| 1178 | R | 80.7 | Confident | 71.9 | Confident | 172 Ų | 172 | 107.5 Ų | 107.5 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -44.5 | 169.9 | -80.9 | 179.8 | 174.4 | -142.3 | -0.8 | 111.7 | R1174 I1175 T1176 E1180 L1181 D1182 | R1174-R1178 WeakPolarHBondContact O-CG 3.19Å; R1174-R1178 PolarHBondContact O-N 2.93Å; R1174-R1178 VanDerWaalsContact O-N 3.14Å; I1175-R1178 PolarHBondContact O-N 3.03Å; T1176-R1178 VanDerWaalsContact C-N 3.29Å; T1176-R1178 PolarHBondContact O-N 3.47Å; R1178-E1180 VanDerWaalsContact C-N 3.32Å; R1178-E1180 PolarHBondContact O-N 3.2Å; R1178-L1181 WeakPolarHBondContact O-CB 3.35Å; R1178-L1181 PolarHBondContact O-N 3.45Å; R1178-D1182 PolarHBondContact O-N 3.22Å |
| 1179 | R | 86.3 | Confident | 74 | Confident | 139 Ų | 139 | 106.1 Ų | 106.1 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.9 | -149 | -167.6 | 77.1 | 72 | 14.8 | 111.9 | I1175 T1176 E1183 | I1175-R1179 PolarHBondContact O-N 3.49Å; T1176-R1179 WeakPolarHBondContact O-CA 3.48Å; T1176-R1179 WeakPolarHBondContact O-CB 3.35Å; T1176-R1179 PolarHBondContact O-N 3.03Å; R1179-E1183 IonicContact CZ-OE1 2.66Å; R1179-E1183 IonicContact CZ-OE2 2.67Å; R1179-E1183 IonicContact NH1-OE1 3.49Å; R1179-E1183 PolarHBondContact NH1-OE1 3.41Å; R1179-E1183 IonicContact NH1-OE2 3.77Å; R1179-E1183 IonicContact NH2-OE1 2.71Å; R1179-E1183 PolarHBondContact NH2-OE1 3.19Å; R1179-E1183 IonicContact NH2-OE2 2.79Å; R1179-E1183 PolarHBondContact NH2-OE2 2.85Å; R1179-E1183 WeakPolarHBondContact O-CG 3.48Å; R1179-E1183 PolarHBondContact O-N 3.4Å |
| 1180 | E | 83.3 | Confident | 76.1 | Confident | 92 Ų | 92 | 108.1 Ų | 108.1 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 174.5 | -70 | 178.1 | 179.2 | 0 | 0 | 112.3 | T1176 R1178 D1182 E1183 V1184 | T1176-E1180 PolarHBondContact O-N 3.26Å; R1178-E1180 VanDerWaalsContact C-N 3.32Å; R1178-E1180 PolarHBondContact O-N 3.2Å; E1180-D1182 PolarHBondContact O-N 2.86Å; E1180-E1183 PolarHBondContact O-N 3.24Å; E1180-V1184 WeakPolarHBondContact O-CB 3.42Å; E1180-V1184 VanDerWaalsContact O-CG2 3.32Å; E1180-V1184 WeakPolarHBondContact O-CG2 3.44Å; E1180-V1184 PolarHBondContact O-N 3.01Å |
| 1181 | L | 86.8 | Confident | 78 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 175.1 | -170.2 | 76.7 | 0 | 0 | 0 | 111.7 | L1177 R1178 V1184 K1185 | L1177-L1181 VanDerWaalsContact O-CB 3.29Å; L1177-L1181 WeakPolarHBondContact O-CB 3.49Å; L1177-L1181 PolarHBondContact O-N 2.94Å; R1178-L1181 WeakPolarHBondContact O-CB 3.35Å; R1178-L1181 PolarHBondContact O-N 3.45Å; L1181-V1184 PolarHBondContact O-N 3.25Å; L1181-K1185 VanDerWaalsContact O-CB 3.31Å; L1181-K1185 WeakPolarHBondContact O-CB 3.29Å; L1181-K1185 PolarHBondContact O-N 3.05Å |
| 1182 | D | 90.4 | Very high | 79.9 | Confident | 102 Ų | 102 | 113.6 Ų | 113.6 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.4 | -38.1 | 177.9 | -71.2 | -35.1 | 0 | 0 | 0 | 112 | R1178 E1180 K1185 Q1186 | R1178-D1182 PolarHBondContact O-N 3.22Å; E1180-D1182 PolarHBondContact O-N 2.86Å; D1182-K1185 PolarHBondContact O-N 3.16Å; D1182-Q1186 WeakPolarHBondContact O-CB 3.34Å; D1182-Q1186 PolarHBondContact O-N 3.44Å |
| 1183 | E | 88.7 | Confident | 80.9 | Confident | 97 Ų | 97 | 109.9 Ų | 109.9 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 172.7 | -77.9 | -177.2 | 160.3 | 0 | 0 | 112.4 | R1179 E1180 Q1186 L1187 | R1179-E1183 IonicContact CZ-OE1 2.66Å; R1179-E1183 IonicContact CZ-OE2 2.67Å; R1179-E1183 IonicContact NH1-OE1 3.49Å; R1179-E1183 PolarHBondContact NH1-OE1 3.41Å; R1179-E1183 IonicContact NH1-OE2 3.77Å; R1179-E1183 IonicContact NH2-OE1 2.71Å; R1179-E1183 PolarHBondContact NH2-OE1 3.19Å; R1179-E1183 IonicContact NH2-OE2 2.79Å; R1179-E1183 PolarHBondContact NH2-OE2 2.85Å; R1179-E1183 WeakPolarHBondContact O-CG 3.48Å; R1179-E1183 PolarHBondContact O-N 3.4Å; E1180-E1183 PolarHBondContact O-N 3.24Å; E1183-Q1186 PolarHBondContact O-N 2.85Å; E1183-L1187 WeakPolarHBondContact O-CB 3.37Å; E1183-L1187 PolarHBondContact O-N 3.05Å |
| 1184 | V | 83.3 | Confident | 82 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 61% | 0.606 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 175 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | E1180 L1181 L1187 L1188 | E1180-V1184 WeakPolarHBondContact O-CB 3.42Å; E1180-V1184 VanDerWaalsContact O-CG2 3.32Å; E1180-V1184 WeakPolarHBondContact O-CG2 3.44Å; E1180-V1184 PolarHBondContact O-N 3.01Å; L1181-V1184 PolarHBondContact O-N 3.25Å; V1184-L1187 WeakPolarHBondContact O-CB 3.45Å; V1184-L1187 PolarHBondContact O-N 3.29Å; V1184-L1188 PolarHBondContact O-N 2.96Å |
| 1185 | K | 87.7 | Confident | 82.5 | Confident | 126 Ų | 126 | 106.1 Ų | 106.1 | 55% | 0.548 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 177.2 | -173.8 | -178.6 | 176.5 | -171.8 | 0 | 111.6 | L1181 D1182 L1187 L1188 D1189 | L1181-K1185 VanDerWaalsContact O-CB 3.31Å; L1181-K1185 WeakPolarHBondContact O-CB 3.29Å; L1181-K1185 PolarHBondContact O-N 3.05Å; D1182-K1185 PolarHBondContact O-N 3.16Å; K1185-L1187 PolarHBondContact O-N 3.21Å; K1185-L1188 WeakPolarHBondContact O-CA 3.48Å; K1185-L1188 WeakPolarHBondContact O-CB 3.48Å; K1185-L1188 PolarHBondContact O-N 3.09Å; K1185-D1189 VanDerWaalsContact O-CG 3.31Å; K1185-D1189 PolarHBondContact O-N 3.29Å |
| 1186 | Q | 86.3 | Confident | 83 | Confident | 148 Ų | 148 | 104.2 Ų | 104.2 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -31.2 | 177.3 | -170.4 | 170.9 | 95.8 | 0 | 0 | 112.3 | D1182 E1183 S1190 | D1182-Q1186 WeakPolarHBondContact O-CB 3.34Å; D1182-Q1186 PolarHBondContact O-N 3.44Å; E1183-Q1186 PolarHBondContact O-N 2.85Å; Q1186-S1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-S1190 PolarHBondContact O-N 3.48Å; Q1186-S1190 VanDerWaalsContact O-N 3.17Å |
| 1187 | L | 84.7 | Confident | 83.3 | Confident | 122 Ų | 122 | 105.3 Ų | 105.3 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.5 | -36.5 | 171.8 | -156 | 82.9 | 0 | 0 | 0 | 112.4 | E1183 V1184 K1185 S1190 K1191 | E1183-L1187 WeakPolarHBondContact O-CB 3.37Å; E1183-L1187 PolarHBondContact O-N 3.05Å; V1184-L1187 WeakPolarHBondContact O-CB 3.45Å; V1184-L1187 PolarHBondContact O-N 3.29Å; K1185-L1187 PolarHBondContact O-N 3.21Å; L1187-S1190 PolarHBondContact O-N 2.96Å; L1187-K1191 WeakPolarHBondContact O-CG 3.46Å; L1187-K1191 PolarHBondContact O-N 3.1Å |
| 1188 | L | 80.6 | Confident | 83.5 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.6 | -48.1 | 177.1 | -171.9 | 68.2 | 0 | 0 | 0 | 111.3 | V1184 K1185 S1190 K1191 E1192 | V1184-L1188 PolarHBondContact O-N 2.96Å; K1185-L1188 WeakPolarHBondContact O-CA 3.48Å; K1185-L1188 WeakPolarHBondContact O-CB 3.48Å; K1185-L1188 PolarHBondContact O-N 3.09Å; L1188-S1190 PolarHBondContact O-N 3.21Å; L1188-K1191 WeakPolarHBondContact O-CA 3.32Å; L1188-K1191 PolarHBondContact O-N 2.68Å; L1188-E1192 PolarHBondContact O-N 2.95Å |
| 1189 | D | 82.6 | Confident | 83.6 | Confident | 92 Ų | 92 | 101.5 Ų | 101.5 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.6 | -40.4 | 175.4 | -60.7 | -16.4 | 0 | 0 | 0 | 110.6 | K1185 K1191 E1192 | K1185-D1189 VanDerWaalsContact O-CG 3.31Å; K1185-D1189 PolarHBondContact O-N 3.29Å; D1189-K1191 VanDerWaalsContact C-N 3.25Å; D1189-K1191 PolarHBondContact O-N 2.67Å; D1189-E1192 PolarHBondContact O-N 2.67Å |
| 1190 | S | 82.9 | Confident | 83.7 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -23.2 | 174.4 | -175.7 | 0 | 0 | 0 | 0 | 113.9 | Q1186 L1187 L1188 | Q1186-S1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-S1190 PolarHBondContact O-N 3.48Å; Q1186-S1190 VanDerWaalsContact O-N 3.17Å; L1187-S1190 PolarHBondContact O-N 2.96Å; L1188-S1190 PolarHBondContact O-N 3.21Å |
| 1191 | K | 80.6 | Confident | 83.6 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -92.8 | -23.5 | 179.4 | -73.1 | -56.2 | -169.7 | -176 | 0 | 113.8 | L1187 L1188 D1189 G1193 E1194 V1195 | L1187-K1191 WeakPolarHBondContact O-CG 3.46Å; L1187-K1191 PolarHBondContact O-N 3.1Å; L1188-K1191 WeakPolarHBondContact O-CA 3.32Å; L1188-K1191 PolarHBondContact O-N 2.68Å; D1189-K1191 VanDerWaalsContact C-N 3.25Å; D1189-K1191 PolarHBondContact O-N 2.67Å; K1191-G1193 PolarHBondContact O-N 2.79Å; K1191-E1194 HydrophobicContact CD-CG 4.43Å; K1191-E1194 WeakPolarHBondContact CD-OE2 3.29Å; K1191-E1194 IonicContact NZ-OE1 2.95Å; K1191-E1194 PolarHBondContact NZ-OE1 3.37Å; K1191-E1194 IonicContact NZ-OE2 3.21Å; K1191-E1194 PolarHBondContact NZ-OE2 3.5Å; K1191-E1194 PolarHBondContact O-N 2.9Å; K1191-V1195 WeakPolarHBondContact O-CG2 3.4Å; K1191-V1195 PolarHBondContact O-N 2.95Å |
| 1192 | E | 84.4 | Confident | 83.4 | Confident | 139 Ų | 139 | 103.3 Ų | 103.3 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.5 | -39.1 | 168.4 | -68.7 | -149.4 | 122.4 | 0 | 0 | 111.7 | L1188 D1189 E1194 V1195 E1196 | L1188-E1192 PolarHBondContact O-N 2.95Å; D1189-E1192 PolarHBondContact O-N 2.67Å; E1192-E1194 PolarHBondContact O-N 3.46Å; E1192-V1195 PolarHBondContact O-N 3.43Å; E1192-E1196 WeakPolarHBondContact O-CB 3.39Å; E1192-E1196 PolarHBondContact O-N 2.87Å |
| 1193 | G | 80.4 | Confident | 83.1 | Confident | 44 Ų | 44 | 101.9 Ų | 101.9 | 45% | 0.454 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1191 V1197 | K1191-G1193 PolarHBondContact O-N 2.79Å; G1193-V1197 WeakPolarHBondContact O-CG2 3.24Å; G1193-V1197 PolarHBondContact O-N 3.34Å |
| 1194 | E | 81.6 | Confident | 82.8 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 174.2 | -72.7 | 179.1 | -158.6 | 0 | 0 | 111.5 | K1191 E1192 E1196 V1197 L1198 | K1191-E1194 HydrophobicContact CD-CG 4.43Å; K1191-E1194 WeakPolarHBondContact CD-OE2 3.29Å; K1191-E1194 IonicContact NZ-OE1 2.95Å; K1191-E1194 PolarHBondContact NZ-OE1 3.37Å; K1191-E1194 IonicContact NZ-OE2 3.21Å; K1191-E1194 PolarHBondContact NZ-OE2 3.5Å; K1191-E1194 PolarHBondContact O-N 2.9Å; E1192-E1194 PolarHBondContact O-N 3.46Å; E1194-E1196 VanDerWaalsContact C-N 3.3Å; E1194-E1196 PolarHBondContact O-N 3.2Å; E1194-V1197 PolarHBondContact O-N 2.95Å; E1194-L1198 WeakPolarHBondContact O-CG 3.23Å; E1194-L1198 PolarHBondContact O-N 2.93Å |
| 1195 | V | 78.9 | Confident | 82.6 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | K1191 E1192 L1198 K1199 | K1191-V1195 WeakPolarHBondContact O-CG2 3.4Å; K1191-V1195 PolarHBondContact O-N 2.95Å; E1192-V1195 PolarHBondContact O-N 3.43Å; V1195-L1198 PolarHBondContact O-N 2.74Å; V1195-K1199 WeakPolarHBondContact O-CG 3.33Å; V1195-K1199 PolarHBondContact O-N 3.41Å |
| 1196 | E | 84 | Confident | 82.1 | Confident | 72 Ų | 72 | 99.8 Ų | 99.8 | 34% | 0.336 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -32.3 | 178.3 | -171.3 | 56.8 | -152.4 | 0 | 0 | 112.9 | E1192 E1194 K1199 K1200 | E1192-E1196 WeakPolarHBondContact O-CB 3.39Å; E1192-E1196 PolarHBondContact O-N 2.87Å; E1194-E1196 VanDerWaalsContact C-N 3.3Å; E1194-E1196 PolarHBondContact O-N 3.2Å; E1196-K1199 WeakPolarHBondContact OE2-CD 3.21Å; E1196-K1199 WeakPolarHBondContact OE2-CE 3.37Å; E1196-K1199 IonicContact OE2-NZ 2.75Å; E1196-K1199 PolarHBondContact OE2-NZ 2.91Å; E1196-K1200 WeakPolarHBondContact O-CG 3.36Å; E1196-K1200 PolarHBondContact O-N 3.44Å; E1196-K1200 WeakPolarHBondContact OE1-CE 3.46Å; E1196-K1200 IonicContact OE1-NZ 3.75Å; E1196-K1200 PolarHBondContact OE1-NZ 3.44Å |
| 1197 | V | 82.7 | Confident | 81.6 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 169 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | G1193 E1194 K1200 Q1201 | G1193-V1197 WeakPolarHBondContact O-CG2 3.24Å; G1193-V1197 PolarHBondContact O-N 3.34Å; E1194-V1197 PolarHBondContact O-N 2.95Å; V1197-K1200 PolarHBondContact O-N 3.25Å; V1197-Q1201 PolarHBondContact O-N 2.94Å |
| 1198 | L | 77.2 | Confident | 81.3 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 177.2 | -70.1 | 169.6 | 0 | 0 | 0 | 112.6 | E1194 V1195 Q1201 R1202 | E1194-L1198 WeakPolarHBondContact O-CG 3.23Å; E1194-L1198 PolarHBondContact O-N 2.93Å; V1195-L1198 PolarHBondContact O-N 2.74Å; L1198-Q1201 PolarHBondContact O-N 3.19Å; L1198-R1202 WeakPolarHBondContact O-CB 3.32Å; L1198-R1202 PolarHBondContact O-N 3.4Å |
| 1199 | K | 83 | Confident | 81.1 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 169.9 | -71.1 | -178.8 | -149 | 152.6 | 0 | 111.1 | V1195 E1196 Q1201 R1202 D1203 | V1195-K1199 WeakPolarHBondContact O-CG 3.33Å; V1195-K1199 PolarHBondContact O-N 3.41Å; E1196-K1199 WeakPolarHBondContact OE2-CD 3.21Å; E1196-K1199 WeakPolarHBondContact OE2-CE 3.37Å; E1196-K1199 IonicContact OE2-NZ 2.75Å; E1196-K1199 PolarHBondContact OE2-NZ 2.91Å; K1199-Q1201 VanDerWaalsContact C-N 3.31Å; K1199-Q1201 PolarHBondContact O-N 3.25Å; K1199-R1202 WeakPolarHBondContact O-CB 3.48Å; K1199-R1202 PolarHBondContact O-N 3.13Å; K1199-R1202 VanDerWaalsContact O-N 3.16Å; K1199-D1203 WeakPolarHBondContact O-CB 3.39Å; K1199-D1203 PolarHBondContact O-N 2.71Å |
| 1200 | K | 86.9 | Confident | 80.9 | Confident | 130 Ų | 130 | 101.5 Ų | 101.5 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -36.2 | 179.3 | -73.5 | 165.3 | -176.3 | 161.1 | 0 | 112.7 | E1196 V1197 F1204 | E1196-K1200 WeakPolarHBondContact O-CG 3.36Å; E1196-K1200 PolarHBondContact O-N 3.44Å; E1196-K1200 WeakPolarHBondContact OE1-CE 3.46Å; E1196-K1200 IonicContact OE1-NZ 3.75Å; E1196-K1200 PolarHBondContact OE1-NZ 3.44Å; V1197-K1200 PolarHBondContact O-N 3.25Å; K1200-F1204 WeakPolarHBondContact O-CB 3.49Å; K1200-F1204 PolarHBondContact O-N 3.46Å; K1200-F1204 VanDerWaalsContact O-N 3.09Å |
| 1201 | Q | 81.1 | Confident | 80.4 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 172.2 | -71.5 | -178.3 | -9.9 | 0 | 0 | 112.6 | V1197 L1198 K1199 D1203 V1205 | V1197-Q1201 PolarHBondContact O-N 2.94Å; L1198-Q1201 PolarHBondContact O-N 3.19Å; K1199-Q1201 VanDerWaalsContact C-N 3.31Å; K1199-Q1201 PolarHBondContact O-N 3.25Å; Q1201-D1203 VanDerWaalsContact C-N 3.3Å; Q1201-D1203 PolarHBondContact O-N 2.94Å; Q1201-V1205 WeakPolarHBondContact O-CG2 3.38Å; Q1201-V1205 PolarHBondContact O-N 3.01Å; Q1201-V1205 VanDerWaalsContact O-N 3.11Å |
| 1202 | R | 84.2 | Confident | 80.2 | Confident | 140 Ų | 140 | 100.5 Ų | 100.5 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56 | -45.4 | 173.3 | 176.7 | -157.6 | 69.7 | -175.1 | -3.9 | 111.3 | L1198 K1199 V1205 T1206 | L1198-R1202 WeakPolarHBondContact O-CB 3.32Å; L1198-R1202 PolarHBondContact O-N 3.4Å; K1199-R1202 WeakPolarHBondContact O-CB 3.48Å; K1199-R1202 PolarHBondContact O-N 3.13Å; K1199-R1202 VanDerWaalsContact O-N 3.16Å; R1202-V1205 PolarHBondContact O-N 3.24Å; R1202-T1206 WeakPolarHBondContact O-CB 3.4Å; R1202-T1206 PolarHBondContact O-N 3.27Å; R1202-T1206 PolarHBondContact O-OG1 3.17Å |
| 1203 | D | 83.2 | Confident | 79.8 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 39% | 0.39 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.4 | -40 | -173.6 | -65.7 | -18.8 | 0 | 0 | 0 | 111.5 | K1199 Q1201 V1205 T1206 E1207 | K1199-D1203 WeakPolarHBondContact O-CB 3.39Å; K1199-D1203 PolarHBondContact O-N 2.71Å; Q1201-D1203 VanDerWaalsContact C-N 3.3Å; Q1201-D1203 PolarHBondContact O-N 2.94Å; D1203-V1205 PolarHBondContact O-N 2.99Å; D1203-T1206 WeakPolarHBondContact O-CB 3.43Å; D1203-T1206 PolarHBondContact O-N 2.97Å; D1203-T1206 VanDerWaalsContact O-N 3.17Å; D1203-E1207 PolarHBondContact O-N 2.89Å |
| 1204 | F | 82.9 | Confident | 79.5 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.4 | -45.5 | 170.2 | 178.9 | -100.3 | 0 | 0 | 0 | 112.6 | K1200 T1206 E1207 H1208 | K1200-F1204 WeakPolarHBondContact O-CB 3.49Å; K1200-F1204 PolarHBondContact O-N 3.46Å; K1200-F1204 VanDerWaalsContact O-N 3.09Å; F1204-T1206 VanDerWaalsContact C-N 3.31Å; F1204-T1206 PolarHBondContact O-N 3.45Å; F1204-E1207 PolarHBondContact O-N 3.38Å; F1204-H1208 WeakPolarHBondContact O-CB 3.46Å; F1204-H1208 PolarHBondContact O-N 3.49Å |
| 1205 | V | 77.8 | Confident | 79.1 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | Q1201 R1202 D1203 H1208 L1209 | Q1201-V1205 WeakPolarHBondContact O-CG2 3.38Å; Q1201-V1205 PolarHBondContact O-N 3.01Å; Q1201-V1205 VanDerWaalsContact O-N 3.11Å; R1202-V1205 PolarHBondContact O-N 3.24Å; D1203-V1205 PolarHBondContact O-N 2.99Å; V1205-H1208 PolarHBondContact O-N 3.39Å; V1205-L1209 HydrophobicContact CG1-CD1 4.11Å; V1205-L1209 HydrophobicContact CG1-CG 4.48Å; V1205-L1209 WeakPolarHBondContact O-CB 3.42Å; V1205-L1209 WeakPolarHBondContact O-CG 3.45Å; V1205-L1209 PolarHBondContact O-N 3.36Å |
| 1206 | T | 78.1 | Confident | 78.9 | Confident | 65 Ų | 65 | 95.9 Ų | 95.9 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | R1202 D1203 F1204 R1210 | R1202-T1206 WeakPolarHBondContact O-CB 3.4Å; R1202-T1206 PolarHBondContact O-N 3.27Å; R1202-T1206 PolarHBondContact O-OG1 3.17Å; D1203-T1206 WeakPolarHBondContact O-CB 3.43Å; D1203-T1206 PolarHBondContact O-N 2.97Å; D1203-T1206 VanDerWaalsContact O-N 3.17Å; F1204-T1206 VanDerWaalsContact C-N 3.31Å; F1204-T1206 PolarHBondContact O-N 3.45Å; T1206-R1210 WeakPolarHBondContact O-CB 3.37Å; T1206-R1210 PolarHBondContact O-N 3.42Å; T1206-R1210 VanDerWaalsContact O-N 3.08Å |
| 1207 | E | 76.7 | Confident | 78 | Confident | 124 Ų | 124 | 100.6 Ų | 100.6 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -47.8 | 171.8 | -175.1 | 168.5 | -132.4 | 0 | 0 | 111.2 | D1203 F1204 L1209 R1210 D1211 | D1203-E1207 PolarHBondContact O-N 2.89Å; F1204-E1207 PolarHBondContact O-N 3.38Å; E1207-L1209 VanDerWaalsContact C-N 3.27Å; E1207-L1209 PolarHBondContact O-N 3.11Å; E1207-R1210 WeakPolarHBondContact O-CA 3.46Å; E1207-R1210 WeakPolarHBondContact O-CB 3.5Å; E1207-R1210 PolarHBondContact O-N 2.79Å; E1207-D1211 PolarHBondContact O-N 3.04Å |
| 1208 | H | 77.4 | Confident | 77.3 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -32.2 | 179.6 | -157.1 | -52.7 | 0 | 0 | 0 | 113 | F1204 V1205 S1212 | F1204-H1208 WeakPolarHBondContact O-CB 3.46Å; F1204-H1208 PolarHBondContact O-N 3.49Å; V1205-H1208 PolarHBondContact O-N 3.39Å; H1208-S1212 WeakPolarHBondContact O-CB 3.31Å; H1208-S1212 PolarHBondContact O-N 3.16Å; H1208-S1212 PolarHBondContact O-OG 3.23Å |
| 1209 | L | 76.9 | Confident | 77.1 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -38.9 | 170.9 | -74.3 | 172.5 | 0 | 0 | 0 | 112.4 | V1205 E1207 S1212 L1213 | V1205-L1209 HydrophobicContact CG1-CD1 4.11Å; V1205-L1209 HydrophobicContact CG1-CG 4.48Å; V1205-L1209 WeakPolarHBondContact O-CB 3.42Å; V1205-L1209 WeakPolarHBondContact O-CG 3.45Å; V1205-L1209 PolarHBondContact O-N 3.36Å; E1207-L1209 VanDerWaalsContact C-N 3.27Å; E1207-L1209 PolarHBondContact O-N 3.11Å; L1209-S1212 PolarHBondContact O-N 3.34Å; L1209-L1213 PolarHBondContact O-N 3.02Å |
| 1210 | R | 77.2 | Confident | 76.4 | Confident | 181 Ų | 181 | 104.7 Ų | 104.7 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.8 | -175.7 | -179.7 | -66.4 | -159.7 | -0.5 | 111.8 | T1206 E1207 L1213 G1214 | T1206-R1210 WeakPolarHBondContact O-CB 3.37Å; T1206-R1210 PolarHBondContact O-N 3.42Å; T1206-R1210 VanDerWaalsContact O-N 3.08Å; E1207-R1210 WeakPolarHBondContact O-CA 3.46Å; E1207-R1210 WeakPolarHBondContact O-CB 3.5Å; E1207-R1210 PolarHBondContact O-N 2.79Å; R1210-L1213 PolarHBondContact O-N 3.26Å; R1210-G1214 PolarHBondContact O-N 3.26Å |
| 1211 | D | 74.1 | Confident | 75.2 | Confident | 104 Ų | 104 | 106 Ų | 106 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -38.2 | 176 | -91.8 | -1 | 0 | 0 | 0 | 112.3 | E1207 L1213 G1214 V1215 | E1207-D1211 PolarHBondContact O-N 3.04Å; D1211-L1213 VanDerWaalsContact C-N 3.34Å; D1211-L1213 PolarHBondContact O-N 2.73Å; D1211-G1214 CarbonylContact O-C 3.48Å; D1211-G1214 WeakPolarHBondContact O-CA 3.39Å; D1211-G1214 PolarHBondContact O-N 2.92Å; D1211-V1215 PolarHBondContact O-N 3.44Å |
| 1212 | S | 75.8 | Confident | 74.5 | Confident | 52 Ų | 52 | 105.2 Ų | 105.2 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 173 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | H1208 L1209 G1214 V1215 I1216 | H1208-S1212 WeakPolarHBondContact O-CB 3.31Å; H1208-S1212 PolarHBondContact O-N 3.16Å; H1208-S1212 PolarHBondContact O-OG 3.23Å; L1209-S1212 PolarHBondContact O-N 3.34Å; S1212-G1214 VanDerWaalsContact C-N 3.32Å; S1212-G1214 PolarHBondContact O-N 3.35Å; S1212-V1215 PolarHBondContact O-N 3.01Å; S1212-I1216 WeakPolarHBondContact O-CG1 3.36Å; S1212-I1216 PolarHBondContact O-N 2.87Å |
| 1213 | L | 76.3 | Confident | 73.2 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 171.6 | -78.8 | 163.3 | 0 | 0 | 0 | 112.7 | L1209 R1210 D1211 V1215 I1216 R1217 | L1209-L1213 PolarHBondContact O-N 3.02Å; R1210-L1213 PolarHBondContact O-N 3.26Å; D1211-L1213 VanDerWaalsContact C-N 3.34Å; D1211-L1213 PolarHBondContact O-N 2.73Å; L1213-V1215 VanDerWaalsContact C-N 3.33Å; L1213-I1216 PolarHBondContact O-N 3.03Å; L1213-R1217 WeakPolarHBondContact O-CB 3.49Å; L1213-R1217 WeakPolarHBondContact O-CG 3.36Å; L1213-R1217 PolarHBondContact O-N 3.25Å |
| 1214 | G | 74.4 | Confident | 71.3 | Confident | 24 Ų | 24 | 106.5 Ų | 106.5 | 25% | 0.247 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -67.9 | -27.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1210 D1211 S1212 R1218 | R1210-G1214 PolarHBondContact O-N 3.26Å; D1211-G1214 CarbonylContact O-C 3.48Å; D1211-G1214 WeakPolarHBondContact O-CA 3.39Å; D1211-G1214 PolarHBondContact O-N 2.92Å; S1212-G1214 VanDerWaalsContact C-N 3.32Å; S1212-G1214 PolarHBondContact O-N 3.35Å; G1214-R1218 PolarHBondContact O-NE 3.41Å |
| 1215 | V | 73.4 | Confident | 69.3 | Low | 76 Ų | 76 | 105.4 Ų | 105.4 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -77.3 | -45.5 | 169.5 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | D1211 S1212 L1213 R1217 R1218 L1219 | D1211-V1215 PolarHBondContact O-N 3.44Å; S1212-V1215 PolarHBondContact O-N 3.01Å; L1213-V1215 VanDerWaalsContact C-N 3.33Å; V1215-R1217 PolarHBondContact O-N 3.17Å; V1215-R1218 WeakPolarHBondContact O-CB 3.46Å; V1215-R1218 PolarHBondContact O-N 3.32Å; V1215-L1219 HydrophobicContact CG1-CD1 4.14Å; V1215-L1219 HydrophobicContact CG1-CG 4.47Å; V1215-L1219 PolarHBondContact O-N 3.05Å |
| 1216 | I | 73.5 | Confident | 67.1 | Low | 65 Ų | 65 | 106.1 Ų | 106.1 | 33% | 0.333 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 177.1 | -67.3 | 164.2 | 0 | 0 | 0 | 111.1 | S1212 L1213 R1218 L1219 F1220 | S1212-I1216 WeakPolarHBondContact O-CG1 3.36Å; S1212-I1216 PolarHBondContact O-N 2.87Å; L1213-I1216 PolarHBondContact O-N 3.03Å; I1216-R1218 VanDerWaalsContact C-N 3.29Å; I1216-R1218 PolarHBondContact O-N 3.48Å; I1216-L1219 PolarHBondContact O-N 3.32Å; I1216-F1220 HydrophobicContact CG2-CD2 3.88Å; I1216-F1220 HydrophobicContact CG2-CE2 3.97Å; I1216-F1220 WeakPolarHBondContact O-CD2 3.46Å; I1216-F1220 PolarHBondContact O-N 2.88Å |
| 1217 | R | 65.4 | Low | 65.1 | Low | 171 Ų | 171 | 108.6 Ų | 108.6 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.9 | -35.4 | 175.3 | -79 | -177.1 | 174.4 | -173.8 | -1.6 | 113.3 | L1213 V1215 H1221 | L1213-R1217 WeakPolarHBondContact O-CB 3.49Å; L1213-R1217 WeakPolarHBondContact O-CG 3.36Å; L1213-R1217 PolarHBondContact O-N 3.25Å; V1215-R1217 PolarHBondContact O-N 3.17Å; R1217-H1221 PolarHBondContact O-N 3.3Å; R1217-H1221 PolarHBondContact O-ND1 2.95Å |
| 1218 | R | 68.7 | Low | 62.7 | Low | 162 Ų | 162 | 107.9 Ų | 107.9 | 61% | 0.611 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.6 | -42.8 | 175.5 | -81.5 | -179.9 | -83.9 | -175.1 | -5.5 | 111.5 | G1214 V1215 I1216 F1220 H1221 S1222 | G1214-R1218 PolarHBondContact O-NE 3.41Å; V1215-R1218 WeakPolarHBondContact O-CB 3.46Å; V1215-R1218 PolarHBondContact O-N 3.32Å; I1216-R1218 VanDerWaalsContact C-N 3.29Å; I1216-R1218 PolarHBondContact O-N 3.48Å; R1218-F1220 PolarHBondContact O-N 3.24Å; R1218-H1221 PolarHBondContact O-N 3.49Å; R1218-S1222 PolarHBondContact O-N 3.02Å; R1218-S1222 PolarHBondContact O-OG 3.3Å; R1218-S1222 VanDerWaalsContact O-OG 3.14Å |
| 1219 | L | 72.6 | Confident | 60.4 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.7 | -44.2 | 173.9 | -69.7 | 168.9 | 0 | 0 | 0 | 112 | V1215 I1216 H1221 S1222 L1223 | V1215-L1219 HydrophobicContact CG1-CD1 4.14Å; V1215-L1219 HydrophobicContact CG1-CG 4.47Å; V1215-L1219 PolarHBondContact O-N 3.05Å; I1216-L1219 PolarHBondContact O-N 3.32Å; L1219-H1221 PolarHBondContact O-N 3.17Å; L1219-S1222 PolarHBondContact O-N 3Å; L1219-L1223 WeakPolarHBondContact O-CG 3.23Å; L1219-L1223 PolarHBondContact O-N 3.32Å; L1219-L1223 VanDerWaalsContact O-N 3.15Å |
| 1220 | F | 66.9 | Low | 58.1 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 46% | 0.456 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.6 | -40.1 | 175 | -91.9 | -81.8 | 0 | 0 | 0 | 113.2 | I1216 R1218 L1223 L1305 | I1216-F1220 HydrophobicContact CG2-CD2 3.88Å; I1216-F1220 HydrophobicContact CG2-CE2 3.97Å; I1216-F1220 WeakPolarHBondContact O-CD2 3.46Å; I1216-F1220 PolarHBondContact O-N 2.88Å; R1218-F1220 PolarHBondContact O-N 3.24Å; F1220-L1223 PolarHBondContact O-N 3.03Å; F1220-L1305 HydrophobicContact CZ-CD2 4.44Å |
| 1221 | H | 63 | Low | 55.8 | Low | 157 Ų | 157 | 105 Ų | 105 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 173.5 | -80.4 | 72.5 | 0 | 0 | 0 | 112.3 | R1217 R1218 L1219 L1223 N1224 | R1217-H1221 PolarHBondContact O-N 3.3Å; R1217-H1221 PolarHBondContact O-ND1 2.95Å; R1218-H1221 PolarHBondContact O-N 3.49Å; L1219-H1221 PolarHBondContact O-N 3.17Å; H1221-L1223 PolarHBondContact O-N 3.47Å; H1221-N1224 PolarHBondContact O-N 3.44Å |
| 1222 | S | 65.6 | Low | 53.6 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.9 | -18.4 | 177.9 | -62 | 0 | 0 | 0 | 0 | 114.3 | R1218 L1219 | R1218-S1222 PolarHBondContact O-N 3.02Å; R1218-S1222 PolarHBondContact O-OG 3.3Å; R1218-S1222 VanDerWaalsContact O-OG 3.14Å; L1219-S1222 PolarHBondContact O-N 3Å |
| 1223 | L | 56.9 | Low | 51.2 | Low | 95 Ų | 95 | 111.5 Ų | 111.5 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | -0.7 | 178.2 | -70.4 | 170 | 0 | 0 | 0 | 114 | L1219 F1220 H1221 I1225 | L1219-L1223 WeakPolarHBondContact O-CG 3.23Å; L1219-L1223 PolarHBondContact O-N 3.32Å; L1219-L1223 VanDerWaalsContact O-N 3.15Å; F1220-L1223 PolarHBondContact O-N 3.03Å; H1221-L1223 PolarHBondContact O-N 3.47Å; L1223-I1225 HydrophobicContact CB-CD1 4.28Å; L1223-I1225 HydrophobicContact CB-CG1 4.23Å; L1223-I1225 PolarHBondContact O-N 2.94Å; L1223-I1225 VanDerWaalsContact O-N 3.13Å |
| 1224 | N | 43.3 | Very low | 48.9 | Very low | 145 Ų | 145 | 115.5 Ų | 115.5 | 78% | 0.775 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.6 | 26.6 | 171.9 | -140.1 | 10.6 | 0 | 0 | 0 | 115.1 | H1221 S1226 | H1221-N1224 PolarHBondContact O-N 3.44Å; N1224-S1226 PolarHBondContact O-N 2.91Å |
| 1225 | I | 41.2 | Very low | 46.8 | Very low | 109 Ų | 109 | 124 Ų | 124 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | trans | -78.9 | 109 | 176.5 | -56.5 | 174.9 | 0 | 0 | 0 | 108.3 | L1223 P1227 | L1223-I1225 HydrophobicContact CB-CD1 4.28Å; L1223-I1225 HydrophobicContact CB-CG1 4.23Å; L1223-I1225 PolarHBondContact O-N 2.94Å; L1223-I1225 VanDerWaalsContact O-N 3.13Å; I1225-P1227 WeakPolarHBondContact O-CD 3.44Å | ||
| 1226 | S | 31.2 | Very low | 44.6 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | trans | -73.9 | 120.1 | 177.6 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | N1224 S1228 | N1224-S1226 PolarHBondContact O-N 2.91Å; S1226-S1228 PolarHBondContact O-N 3.06Å | ||
| 1227 | P | 35.8 | Very low | 42.5 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | trans | -83.8 | 76.8 | 178.8 | 34.6 | -34.6 | 0 | 0 | 0 | 111 | I1225 | I1225-P1227 WeakPolarHBondContact O-CD 3.44Š| ||
| 1228 | S | 27.8 | Very low | 40.6 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -88.7 | 118 | 165.9 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | S1226 | S1226-S1228 PolarHBondContact O-N 3.06Š| ||
| 1229 | A | 28.2 | Very low | 38.9 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 73.4 | 66.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1230 | S | 29.2 | Very low | 36.7 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | -173 | 95.7 | 139.9 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1231 | T | 27.7 | Very low | 34.9 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -117.3 | 49.2 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1232 | D | 28.1 | Very low | 33.1 | Very low | 168 Ų | 168 | 132 Ų | 132 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | trans | -140.2 | 35.2 | 170.8 | -90.3 | -46.3 | 0 | 0 | 0 | 113.1 | ||||
| 1233 | L | 26.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -126 | 136.3 | 164.3 | -81.5 | 160.4 | 0 | 0 | 0 | 108.9 | ||
| 1234 | F | 27.2 | Very low | 30 | Very low | 181 Ų | 181 | 135 Ų | 135 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 70.5 | 64.4 | 179.4 | -49.3 | -74.1 | 0 | 0 | 0 | 118 | ||||
| 1235 | K | 29.5 | Very low | 29.1 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -127.5 | 116.8 | 150.5 | -85.7 | -175.3 | 179 | 173.5 | 0 | 111.4 | ||||
| 1236 | P | 28.2 | Very low | 28.5 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -105.3 | 110.3 | 161.4 | 33.3 | -22.9 | 0 | 0 | 0 | 110 | ||||
| 1237 | L | 29.5 | Very low | 28.2 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -143.3 | 125.1 | 167 | -76.8 | 179.4 | 0 | 0 | 0 | 110.2 | ||||
| 1238 | F | 25.9 | Very low | 27.8 | Very low | 177 Ų | 177 | 135 Ų | 135 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -76 | 156.8 | 160.3 | -85.4 | -109.6 | 0 | 0 | 0 | 110 | ||||
| 1239 | I | 33 | Very low | 27.8 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | -159.1 | 121.5 | 144.8 | -101.6 | 151.2 | 0 | 0 | 0 | 107.1 | ||||
| 1240 | D | 25.1 | Very low | 28 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 55% | 0.551 | 73% | 0.728 | S | S | * | * | trans | -91.2 | 158 | 159.4 | -51.9 | -73.1 | 0 | 0 | 0 | 107.3 | ||||
| 1241 | T | 29.7 | Very low | 28 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | cis | -156.3 | 176.1 | 13 | -20.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1242 | E | 25.1 | Very low | 28.2 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | trans | 85.2 | 138.3 | 139.9 | -89.7 | 171.4 | -118.1 | 0 | 0 | 124 | ||||
| 1243 | I | 28.9 | Very low | 28.3 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | trans | 79.2 | 89.6 | 148.2 | -64.6 | 166.1 | 0 | 0 | 0 | 119 | ||||
| 1244 | N | 27.9 | Very low | 28.7 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | 63.7 | 117.3 | 120.8 | -56.6 | -15.3 | 0 | 0 | 0 | 122.3 | |||||
| 1245 | N | 25.4 | Very low | 28.9 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | 73.5 | 122.5 | 123.4 | -73.5 | -10.1 | 0 | 0 | 0 | 123.2 | |||||
| 1246 | I | 27.9 | Very low | 28.9 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | 81.4 | 83.9 | 126.4 | -61.5 | 171.7 | 0 | 0 | 0 | 117.5 | |||||
| 1247 | S | 25.5 | Very low | 29 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | 66.4 | 135.9 | 122.1 | 73.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1248 | S | 28.2 | Very low | 29.1 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | trans | 60.1 | 98.3 | 136 | 65.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1249 | E | 27.1 | Very low | 29.3 | Very low | 135 Ų | 135 | 114.8 Ų | 114.8 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | 63.3 | 143.2 | 112.1 | -116.5 | -177.1 | -116.7 | 0 | 0 | 123.6 | |||||
| 1250 | Q | 31.4 | Very low | 29.1 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 62% | 0.621 | 63% | 0.634 | S | S | * | * | trans | 73.3 | 147.8 | 163.4 | -59.1 | 174.4 | 34.3 | 0 | 0 | 116.3 | N1351 | Q1250-N1351 WeakPolarHBondContact CG-O 3.47Š| ||
| 1251 | S | 30.5 | Very low | 29.2 | Very low | 68 Ų | 68 | 113.9 Ų | 113.9 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | cis | -109.9 | -123.9 | 13.9 | -113.9 | 0 | 0 | 0 | 0 | 114.5 | N1351 N1352 | S1251-N1351 WeakPolarHBondContact CA-O 3.33Å; S1251-N1351 PolarHBondContact OG-O 2.85Å; S1251-N1352 VanDerWaalsContact CB-O 3.26Å; S1251-N1352 WeakPolarHBondContact CB-O 3.48Å; S1251-N1352 PolarHBondContact OG-N 3.12Å; S1251-N1352 PolarHBondContact OG-O 3.49Å; S1251-N1352 VanDerWaalsContact OG-O 3.06Å | ||
| 1252 | T | 32.4 | Very low | 29.2 | Very low | 64 Ų | 64 | 113.2 Ų | 113.2 | 39% | 0.393 | 64% | 0.637 | S | S | . | * | trans | -141.5 | -129.7 | 177.2 | -34.1 | 0 | 0 | 0 | 0 | 112.4 | N1352 Y1353 | T1252-N1352 VanDerWaalsContact OG1-CA 3.31Å; T1252-N1352 WeakPolarHBondContact OG1-CA 3.46Å; T1252-Y1353 CarbonylContact C-O 3.44Å; T1252-Y1353 PolarHBondContact N-O 2.95Å | ||
| 1253 | G | 30.1 | Very low | 29.3 | Very low | 21 Ų | 21 | 114 Ų | 114 | 22% | 0.216 | 64% | 0.64 | C | S | . | * | cis | 179.6 | -161.1 | 7.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | N1354 T1355 | G1253-N1354 CarbonylContact O-C 3.39Å; G1253-N1354 VanDerWaalsContact O-CA 3.31Å; G1253-N1354 WeakPolarHBondContact O-CA 3.31Å; G1253-T1355 WeakPolarHBondContact O-CG2 3.18Å; G1253-T1355 PolarHBondContact O-N 3.06Å | ||
| 1254 | C | 33.3 | Very low | 29.4 | Very low | 63 Ų | 63 | 113 Ų | 113 | 43% | 0.426 | 65% | 0.645 | S | S | . | * | cis | -175.5 | 177.4 | -26.6 | -155.8 | 0 | 0 | 0 | 0 | 108.6 | Y1353 N1354 | C1254-Y1353 HydrophobicContact CB-CD1 4.45Å; C1254-N1354 WeakPolarHBondContact CA-OD1 3.4Å; C1254-N1354 WeakPolarHBondContact CB-OD1 3.26Å; C1254-N1354 PolarHBondContact N-OD1 2.98Å; C1254-N1354 PolarHBondContact O-ND2 2.99Å; C1254-N1354 PolarHBondContact O-OD1 3.45Å | ||
| 1255 | C | 31.6 | Very low | 29.3 | Very low | 87 Ų | 87 | 114.4 Ų | 114.4 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | trans | 78.7 | 86.2 | 154.5 | -61.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 1256 | Y | 29.3 | Very low | 29.9 | Very low | 236 Ų | 236 | 113.5 Ų | 113.5 | 93% | 0.925 | 65% | 0.654 | S | S | * | * | -164.9 | 136.8 | 123.1 | -129.1 | -91.3 | 0 | 0 | 0 | 110.4 | |||||
| 1257 | A | 31.5 | Very low | 29.8 | Very low | 71 Ų | 71 | 112.6 Ų | 112.6 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | cis | -160.7 | 174.5 | -30.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1258 | Q | 31.3 | Very low | 30 | Very low | 173 Ų | 173 | 114.4 Ų | 114.4 | 81% | 0.808 | 66% | 0.656 | S | S | * | * | trans | 78.3 | 95.3 | 156.8 | -63.9 | -177.7 | 7.8 | 0 | 0 | 121.5 | ||||
| 1259 | S | 30.6 | Very low | 30 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | 83.9 | 120.1 | 105.8 | -63 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1260 | L | 28.3 | Very low | 30 | Very low | 162 Ų | 162 | 118.7 Ų | 118.7 | 85% | 0.848 | 66% | 0.66 | S | S | * | * | trans | 72.5 | 149.8 | 143.1 | -59.5 | 166.8 | 0 | 0 | 0 | 119.2 | ||||
| 1261 | S | 27.6 | Very low | 29.9 | Very low | 85 Ų | 85 | 121 Ų | 121 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | cis | -179.4 | 146.1 | -35.3 | 50.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1262 | S | 28.6 | Very low | 29.7 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | 58.5 | 154.6 | 160.1 | 38.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1263 | E | 27.7 | Very low | 29.4 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | cis | -160.6 | 160.5 | -10.1 | -118.8 | 165.8 | -157.9 | 0 | 0 | 111.6 | ||||
| 1264 | S | 30.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | 67.8 | 133.3 | 151.9 | 70.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1265 | N | 25.8 | Very low | 29.2 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -97 | -173.6 | 155.9 | -69 | -69.7 | 0 | 0 | 0 | 108.2 | ||||
| 1266 | P | 39.1 | Very low | 29.3 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | cis | -146.1 | 178.4 | 6.5 | 43.3 | -23.2 | 0 | 0 | 0 | 119.3 | ||||
| 1267 | C | 25.5 | Very low | 29.4 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 93.1 | 151.8 | 137.8 | -95.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1268 | E | 29.2 | Very low | 29.5 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | trans | 70.7 | 84.6 | 160 | -64.7 | -67.7 | 89.5 | 0 | 0 | 123 | ||||
| 1269 | K | 29.2 | Very low | 29.4 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | 65.1 | 133.9 | 116.6 | -71.8 | -178.4 | -168.6 | 127.1 | 0 | 125.2 | |||||
| 1270 | F | 26.7 | Very low | 29.3 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 90.8 | 124.2 | 135.4 | -88.4 | -52.6 | 0 | 0 | 0 | 124.2 | ||||
| 1271 | K | 28.6 | Very low | 29.2 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | trans | 55.5 | 119.5 | 152 | -81.7 | 171.6 | 177.4 | 176.6 | 0 | 119.1 | ||||
| 1272 | T | 27 | Very low | 29.4 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | cis | 108.5 | 130.7 | 25.3 | -66.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1273 | C | 26.5 | Very low | 29.5 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | trans | 93.6 | 133.6 | 161.2 | -149.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1274 | M | 29.3 | Very low | 30.1 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | 159 | 140.3 | 131.4 | -82 | -64.7 | 174.6 | 0 | 0 | 109.4 | ||||
| 1275 | Q | 30.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | cis | -170.2 | 141.8 | -33.2 | -129.5 | -172.7 | 37.7 | 0 | 0 | 110.2 | ||||
| 1276 | T | 32.7 | Very low | 30.2 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | 164.2 | 115.3 | 153.4 | 34.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1277 | S | 30.4 | Very low | 30.3 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | 75.1 | 144.3 | 35.2 | -49.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1278 | P | 35.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -138.8 | 156.6 | 11.9 | 39.3 | -19.8 | 0 | 0 | 0 | 119.1 | ||||
| 1279 | V | 28.1 | Very low | 30.5 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 51.4 | 118.9 | 135.7 | 179.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1280 | K | 28.1 | Very low | 30.6 | Very low | 201 Ų | 201 | 128.6 Ų | 128.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -166.6 | 145 | 108.2 | -137.1 | 164.8 | -175.3 | 175.3 | 0 | 115.8 | |||||
| 1281 | S | 26.8 | Very low | 30.9 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -135.5 | 161.6 | 158.4 | 66.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1282 | P | 32.9 | Very low | 30.9 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | -152.9 | -170 | 58.8 | 44.2 | -22.8 | 0 | 0 | 0 | 116.4 | |||||
| 1283 | S | 30 | Very low | 31.1 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -97.3 | -169.4 | 156.8 | -38.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1284 | P | 39.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | cis | -133.7 | 169.1 | -16.7 | 41.3 | -26.3 | 0 | 0 | 0 | 114.8 | ||||
| 1285 | S | 30.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 178.5 | 142.1 | 147.5 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1286 | G | 29.1 | Very low | 32.9 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | -103.8 | -151.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1287 | P | 40.1 | Very low | 33.5 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | cis | -140.7 | -166.6 | 8 | 35.1 | -11 | 0 | 0 | 0 | 115.9 | ||||
| 1288 | I | 29.5 | Very low | 34.3 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | trans | 62.5 | 143.8 | 163.4 | 46.5 | 178.9 | 0 | 0 | 0 | 119.3 | ||||
| 1289 | D | 30.5 | Very low | 35 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | cis | -142.2 | 140.9 | 17.3 | -108.9 | -42 | 0 | 0 | 0 | 115.2 | ||||
| 1290 | S | 30.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | trans | 60.6 | 144.6 | 152.6 | 83.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1291 | V | 32.9 | Very low | 36.9 | Very low | 129 Ų | 129 | 119.1 Ų | 119.1 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | cis | -147.4 | 144.4 | 0.6 | 178.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1292 | S | 28.8 | Very low | 38.2 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | cis | 121 | 128 | -0.5 | -168.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1293 | R | 31.5 | Very low | 39.4 | Very low | 234 Ų | 234 | 115.7 Ų | 115.7 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | trans | 67.4 | 170.6 | -166.6 | -44.2 | -176.6 | 179.2 | -171 | -0.1 | 112.8 | ||||
| 1294 | N | 38.6 | Very low | 40.7 | Very low | 87 Ų | 87 | 113.8 Ų | 113.8 | 47% | 0.465 | 66% | 0.662 | S | S | . | * | cis | -145.6 | 124.2 | 2.9 | -178.5 | 25.1 | 0 | 0 | 0 | 112.1 | L1296 | N1294-L1296 WeakPolarHBondContact OD1-CB 3.37Å; N1294-L1296 PolarHBondContact OD1-N 3.05Å; N1294-L1296 VanDerWaalsContact OD1-N 3.09Å | ||
| 1295 | P | 42.2 | Very low | 41.4 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -91.6 | -12.9 | 172.6 | 35 | -34.2 | 0 | 0 | 0 | 114.9 | Q1297 Q1298 | P1295-Q1297 VanDerWaalsContact C-N 3.27Å; P1295-Q1297 PolarHBondContact O-N 2.66Å; P1295-Q1298 PolarHBondContact O-N 3.04Å |
| 1296 | L | 42.5 | Very low | 42.6 | Very low | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.3 | -34.6 | -173.8 | -142.7 | 79.2 | 0 | 0 | 0 | 112.7 | N1294 Q1298 Q1299 E1300 | N1294-L1296 WeakPolarHBondContact OD1-CB 3.37Å; N1294-L1296 PolarHBondContact OD1-N 3.05Å; N1294-L1296 VanDerWaalsContact OD1-N 3.09Å; L1296-Q1298 VanDerWaalsContact C-N 3.28Å; L1296-Q1298 PolarHBondContact O-N 3.37Å; L1296-Q1299 PolarHBondContact O-N 3.14Å; L1296-E1300 PolarHBondContact O-N 3.32Å |
| 1297 | Q | 45 | Very low | 44.1 | Very low | 131 Ų | 131 | 111.3 Ų | 111.3 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.9 | -20.5 | -171 | -156.8 | 164.8 | 4.2 | 0 | 0 | 113.3 | P1295 A1301 | P1295-Q1297 VanDerWaalsContact C-N 3.27Å; P1295-Q1297 PolarHBondContact O-N 2.66Å; Q1297-A1301 VanDerWaalsContact O-CB 3.29Å; Q1297-A1301 WeakPolarHBondContact O-CB 3.46Å; Q1297-A1301 PolarHBondContact O-N 3.33Å |
| 1298 | Q | 48 | Very low | 45.1 | Very low | 129 Ų | 129 | 109.4 Ų | 109.4 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.2 | -29.7 | 175 | -163.6 | 170.8 | 14.9 | 0 | 0 | 111.6 | P1295 L1296 L1302 | P1295-Q1298 PolarHBondContact O-N 3.04Å; L1296-Q1298 VanDerWaalsContact C-N 3.28Å; L1296-Q1298 PolarHBondContact O-N 3.37Å; Q1298-L1302 PolarHBondContact O-N 3.37Å |
| 1299 | Q | 48.9 | Very low | 46.7 | Very low | 149 Ų | 149 | 107.3 Ų | 107.3 | 70% | 0.696 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.8 | -34.8 | 175.2 | -164.6 | 162.2 | 3.7 | 0 | 0 | 111.7 | L1296 L1302 A1303 | L1296-Q1299 PolarHBondContact O-N 3.14Å; Q1299-L1302 PolarHBondContact O-N 3.14Å; Q1299-A1303 WeakPolarHBondContact O-CB 3.36Å; Q1299-A1303 PolarHBondContact O-N 3.36Å |
| 1300 | E | 46.2 | Very low | 47.6 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 58% | 0.575 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.2 | -40.3 | 167.6 | -72.6 | -178.2 | 119.1 | 0 | 0 | 112.3 | L1296 L1302 A1303 A1304 | L1296-E1300 PolarHBondContact O-N 3.32Å; E1300-L1302 PolarHBondContact O-N 3.31Å; E1300-A1303 PolarHBondContact O-N 2.92Å; E1300-A1304 WeakPolarHBondContact O-CB 3.45Å; E1300-A1304 PolarHBondContact O-N 3.45Å |
| 1301 | A | 50.6 | Low | 49.2 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 46% | 0.463 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.9 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1297 L1305 | Q1297-A1301 VanDerWaalsContact O-CB 3.29Å; Q1297-A1301 WeakPolarHBondContact O-CB 3.46Å; Q1297-A1301 PolarHBondContact O-N 3.33Å; A1301-L1305 PolarHBondContact O-N 3.21Å; A1301-L1305 VanDerWaalsContact O-N 3.1Å |
| 1302 | L | 54.4 | Low | 50.2 | Low | 91 Ų | 91 | 98.3 Ų | 98.3 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 172.6 | -78.9 | 166.1 | 0 | 0 | 0 | 111.9 | Q1298 Q1299 E1300 A1304 L1305 F1306 | Q1298-L1302 PolarHBondContact O-N 3.37Å; Q1299-L1302 PolarHBondContact O-N 3.14Å; E1300-L1302 PolarHBondContact O-N 3.31Å; L1302-A1304 VanDerWaalsContact C-N 3.32Å; L1302-A1304 PolarHBondContact O-N 2.98Å; L1302-L1305 WeakPolarHBondContact O-CB 3.48Å; L1302-L1305 PolarHBondContact O-N 3.15Å; L1302-L1305 VanDerWaalsContact O-N 3.09Å; L1302-F1306 HydrophobicContact CD2-CE2 4.39Å; L1302-F1306 WeakPolarHBondContact O-CD2 3.47Å; L1302-F1306 PolarHBondContact O-N 3.21Å |
| 1303 | A | 57.9 | Low | 51 | Low | 61 Ų | 61 | 96.4 Ų | 96.4 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1299 E1300 L1305 F1306 A1307 | Q1299-A1303 WeakPolarHBondContact O-CB 3.36Å; Q1299-A1303 PolarHBondContact O-N 3.36Å; E1300-A1303 PolarHBondContact O-N 2.92Å; A1303-L1305 VanDerWaalsContact C-N 3.32Å; A1303-L1305 PolarHBondContact O-N 3.19Å; A1303-F1306 PolarHBondContact O-N 3.46Å; A1303-A1307 VanDerWaalsContact O-CB 3.23Å; A1303-A1307 WeakPolarHBondContact O-CB 3.36Å; A1303-A1307 PolarHBondContact O-N 3.19Å |
| 1304 | A | 57.2 | Low | 51.7 | Low | 67 Ų | 67 | 90.1 Ų | 90.1 | 55% | 0.554 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -31.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | E1300 L1302 | E1300-A1304 WeakPolarHBondContact O-CB 3.45Å; E1300-A1304 PolarHBondContact O-N 3.45Å; L1302-A1304 VanDerWaalsContact C-N 3.32Å; L1302-A1304 PolarHBondContact O-N 2.98Å |
| 1305 | L | 55.3 | Low | 52.1 | Low | 66 Ų | 66 | 90.2 Ų | 90.2 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 174.4 | -150.4 | 81.9 | 0 | 0 | 0 | 111.4 | F1220 A1301 L1302 A1303 N1308 V1311 | F1220-L1305 HydrophobicContact CZ-CD2 4.44Å; A1301-L1305 PolarHBondContact O-N 3.21Å; A1301-L1305 VanDerWaalsContact O-N 3.1Å; L1302-L1305 WeakPolarHBondContact O-CB 3.48Å; L1302-L1305 PolarHBondContact O-N 3.15Å; L1302-L1305 VanDerWaalsContact O-N 3.09Å; A1303-L1305 VanDerWaalsContact C-N 3.32Å; A1303-L1305 PolarHBondContact O-N 3.19Å; L1305-N1308 WeakPolarHBondContact O-CB 3.44Å; L1305-N1308 PolarHBondContact O-N 2.93Å; L1305-V1311 WeakPolarHBondContact O-CB 3.46Å |
| 1306 | F | 55.5 | Low | 52 | Low | 117 Ų | 117 | 90.8 Ų | 90.8 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.3 | -27.4 | 177.5 | -72.1 | -67.3 | 0 | 0 | 0 | 113.4 | L1302 A1303 N1308 S1312 L1315 | L1302-F1306 HydrophobicContact CD2-CE2 4.39Å; L1302-F1306 WeakPolarHBondContact O-CD2 3.47Å; L1302-F1306 PolarHBondContact O-N 3.21Å; A1303-F1306 PolarHBondContact O-N 3.46Å; F1306-N1308 PolarHBondContact O-N 3.33Å; F1306-S1312 PolarHBondContact O-OG 2.88Å; F1306-L1315 HydrophobicContact CD1-CD1 4.01Å; F1306-L1315 HydrophobicContact CE1-CD1 3.76Å |
| 1307 | A | 60.7 | Low | 51.8 | Low | 77 Ų | 77 | 89.6 Ų | 89.6 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1303 P1309 | A1303-A1307 VanDerWaalsContact O-CB 3.23Å; A1303-A1307 WeakPolarHBondContact O-CB 3.36Å; A1303-A1307 PolarHBondContact O-N 3.19Å; A1307-P1309 WeakPolarHBondContact O-CD 3.45Å |
| 1308 | N | 61.4 | Low | 51.2 | Low | 75 Ų | 75 | 90.2 Ų | 90.2 | 40% | 0.401 | 52% | 0.518 | S | S | . | . | trans | -76.1 | 118 | 175.7 | -174.4 | -33.5 | 0 | 0 | 0 | 110.3 | L1305 F1306 L1310 V1311 S1312 | L1305-N1308 WeakPolarHBondContact O-CB 3.44Å; L1305-N1308 PolarHBondContact O-N 2.93Å; F1306-N1308 PolarHBondContact O-N 3.33Å; N1308-L1310 PolarHBondContact O-N 3.07Å; N1308-L1310 VanDerWaalsContact O-N 3.13Å; N1308-L1310 WeakPolarHBondContact OD1-CB 3.49Å; N1308-L1310 PolarHBondContact OD1-N 2.88Å; N1308-V1311 HydrophobicContact CB-CB 4.15Å; N1308-V1311 HydrophobicContact CB-CG2 3.86Å; N1308-V1311 PolarHBondContact O-N 3.38Å; N1308-S1312 PolarHBondContact O-N 3.4Å; N1308-S1312 PolarHBondContact O-OG 2.89Å | ||
| 1309 | P | 63 | Low | 50.3 | Low | 101 Ų | 101 | 91.6 Ų | 91.6 | 66% | 0.656 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.7 | -28.1 | -177.2 | -25.3 | 35.4 | 0 | 0 | 0 | 114 | A1307 A1313 | A1307-P1309 WeakPolarHBondContact O-CD 3.45Å; P1309-A1313 VanDerWaalsContact O-CB 3.28Å; P1309-A1313 WeakPolarHBondContact O-CB 3.38Å; P1309-A1313 PolarHBondContact O-N 2.9Å |
| 1310 | L | 49.4 | Very low | 49.2 | Very low | 103 Ų | 103 | 91.9 Ų | 91.9 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74 | -35.3 | 179.3 | -137.4 | 169 | 0 | 0 | 0 | 111.3 | N1308 L1314 | N1308-L1310 PolarHBondContact O-N 3.07Å; N1308-L1310 VanDerWaalsContact O-N 3.13Å; N1308-L1310 WeakPolarHBondContact OD1-CB 3.49Å; N1308-L1310 PolarHBondContact OD1-N 2.88Å; L1310-L1314 HydrophobicContact CD2-CD1 3.99Å; L1310-L1314 HydrophobicContact CD2-CG 4.5Å; L1310-L1314 WeakPolarHBondContact O-CB 3.45Å; L1310-L1314 WeakPolarHBondContact O-CG 3.44Å; L1310-L1314 PolarHBondContact O-N 2.95Å; L1310-L1314 VanDerWaalsContact O-N 3.1Å |
| 1311 | V | 62.7 | Low | 48.3 | Very low | 33 Ų | 33 | 93 Ų | 93 | 20% | 0.2 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -71.2 | -42.7 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | L1305 N1308 A1313 L1314 L1315 | L1305-V1311 WeakPolarHBondContact O-CB 3.46Å; N1308-V1311 HydrophobicContact CB-CB 4.15Å; N1308-V1311 HydrophobicContact CB-CG2 3.86Å; N1308-V1311 PolarHBondContact O-N 3.38Å; V1311-A1313 VanDerWaalsContact C-N 3.35Å; V1311-A1313 PolarHBondContact O-N 2.96Å; V1311-L1314 PolarHBondContact O-N 3.36Å; V1311-L1315 HydrophobicContact CG1-CD1 4.07Å; V1311-L1315 WeakPolarHBondContact O-CG 3.34Å; V1311-L1315 PolarHBondContact O-N 3.18Å; V1311-L1315 VanDerWaalsContact O-N 3.08Å |
| 1312 | S | 54.3 | Low | 47.2 | Very low | 41 Ų | 41 | 97.3 Ų | 97.3 | 29% | 0.287 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.2 | -43.3 | 172.9 | -67.9 | 0 | 0 | 0 | 0 | 112 | F1306 N1308 L1315 N1316 | F1306-S1312 PolarHBondContact O-OG 2.88Å; N1308-S1312 PolarHBondContact O-N 3.4Å; N1308-S1312 PolarHBondContact O-OG 2.89Å; S1312-L1315 PolarHBondContact O-N 3.02Å; S1312-N1316 VanDerWaalsContact O-CB 3.27Å; S1312-N1316 WeakPolarHBondContact O-CB 3.45Å; S1312-N1316 PolarHBondContact O-N 3.45Å; S1312-N1316 PolarHBondContact O-ND2 3.09Å |
| 1313 | A | 46.5 | Very low | 46 | Very low | 59 Ų | 59 | 100.4 Ų | 100.4 | 49% | 0.488 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.4 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1309 V1311 L1315 N1316 S1317 | P1309-A1313 VanDerWaalsContact O-CB 3.28Å; P1309-A1313 WeakPolarHBondContact O-CB 3.38Å; P1309-A1313 PolarHBondContact O-N 2.9Å; V1311-A1313 VanDerWaalsContact C-N 3.35Å; V1311-A1313 PolarHBondContact O-N 2.96Å; A1313-L1315 VanDerWaalsContact C-N 3.35Å; A1313-L1315 PolarHBondContact O-N 3.08Å; A1313-N1316 PolarHBondContact O-N 3.42Å; A1313-S1317 WeakPolarHBondContact O-CB 3.21Å; A1313-S1317 PolarHBondContact O-N 2.86Å; A1313-S1317 PolarHBondContact O-OG 3.25Å |
| 1314 | L | 45.5 | Very low | 44.7 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.7 | -31.6 | 177.5 | -83.4 | 163.9 | 0 | 0 | 0 | 113.6 | L1310 V1311 S1317 | L1310-L1314 HydrophobicContact CD2-CD1 3.99Å; L1310-L1314 HydrophobicContact CD2-CG 4.5Å; L1310-L1314 WeakPolarHBondContact O-CB 3.45Å; L1310-L1314 WeakPolarHBondContact O-CG 3.44Å; L1310-L1314 PolarHBondContact O-N 2.95Å; L1310-L1314 VanDerWaalsContact O-N 3.1Å; V1311-L1314 PolarHBondContact O-N 3.36Å; L1314-S1317 PolarHBondContact O-OG 2.99Å |
| 1315 | L | 47.2 | Very low | 43.2 | Very low | 88 Ų | 88 | 107.8 Ų | 107.8 | 46% | 0.461 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.4 | -45.9 | 173.5 | -72.9 | 164.2 | 0 | 0 | 0 | 111.2 | F1306 V1311 S1312 A1313 S1317 H1318 | F1306-L1315 HydrophobicContact CD1-CD1 4.01Å; F1306-L1315 HydrophobicContact CE1-CD1 3.76Å; V1311-L1315 HydrophobicContact CG1-CD1 4.07Å; V1311-L1315 WeakPolarHBondContact O-CG 3.34Å; V1311-L1315 PolarHBondContact O-N 3.18Å; V1311-L1315 VanDerWaalsContact O-N 3.08Å; S1312-L1315 PolarHBondContact O-N 3.02Å; A1313-L1315 VanDerWaalsContact C-N 3.35Å; A1313-L1315 PolarHBondContact O-N 3.08Å; L1315-S1317 PolarHBondContact O-N 3.22Å; L1315-H1318 PolarHBondContact O-N 3.02Å |
| 1316 | N | 40.3 | Very low | 42.2 | Very low | 122 Ų | 122 | 111 Ų | 111 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.7 | -20 | -179.1 | -68.3 | -13.7 | 0 | 0 | 0 | 113.4 | S1312 A1313 H1318 | S1312-N1316 VanDerWaalsContact O-CB 3.27Å; S1312-N1316 WeakPolarHBondContact O-CB 3.45Å; S1312-N1316 PolarHBondContact O-N 3.45Å; S1312-N1316 PolarHBondContact O-ND2 3.09Å; A1313-N1316 PolarHBondContact O-N 3.42Å; N1316-H1318 PolarHBondContact O-N 2.9Å |
| 1317 | S | 38 | Very low | 40.9 | Very low | 90 Ų | 90 | 112.1 Ų | 112.1 | 63% | 0.629 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -4.1 | 170.7 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | A1313 L1314 L1315 | A1313-S1317 WeakPolarHBondContact O-CB 3.21Å; A1313-S1317 PolarHBondContact O-N 2.86Å; A1313-S1317 PolarHBondContact O-OG 3.25Å; L1314-S1317 PolarHBondContact O-OG 2.99Å; L1315-S1317 PolarHBondContact O-N 3.22Å |
| 1318 | H | 32.5 | Very low | 39.5 | Very low | 145 Ų | 145 | 115.7 Ų | 115.7 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -128 | 7.4 | -171.5 | -123.3 | -63.5 | 0 | 0 | 0 | 115.5 | L1315 N1316 | L1315-H1318 PolarHBondContact O-N 3.02Å; N1316-H1318 PolarHBondContact O-N 2.9Å |
| 1319 | H | 28.5 | Very low | 38 | Very low | 158 Ų | 158 | 120.2 Ų | 120.2 | 73% | 0.731 | 66% | 0.657 | S | S | * | * | trans | -128.7 | 88.6 | 172 | -85.5 | 26.8 | 0 | 0 | 0 | 110.8 | ||||
| 1320 | N | 25.8 | Very low | 36.5 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 82% | 0.824 | 67% | 0.666 | S | S | * | * | trans | -153.9 | 67.1 | 161.5 | -96.4 | -53.6 | 0 | 0 | 0 | 108.7 | ||||
| 1321 | N | 27.6 | Very low | 35.6 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 78% | 0.781 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -154.8 | 141.7 | 155.2 | -90.4 | -17.3 | 0 | 0 | 0 | 106.5 | ||
| 1322 | D | 27.9 | Very low | 34.1 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | 53 | 81.7 | 158.1 | -46.3 | -35.6 | 0 | 0 | 0 | 118.7 | ||||
| 1323 | I | 29.4 | Very low | 33 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | trans | -124.2 | 104 | 141.5 | -60 | -179 | 0 | 0 | 0 | 107.9 | T1325 | I1323-T1325 HydrophobicContact CG2-CG2 4.35Š| ||
| 1324 | H | 30.5 | Very low | 32.3 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -106.1 | 118.5 | 162.8 | -146 | -63.2 | 0 | 0 | 0 | 108.2 | ||||
| 1325 | T | 24.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | -82 | 127.9 | 176.8 | 48 | 0 | 0 | 0 | 0 | 110.8 | I1323 | I1323-T1325 HydrophobicContact CG2-CG2 4.35Š| ||
| 1326 | V | 33.5 | Very low | 30.6 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -142.3 | 141.9 | 150.6 | -172.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1327 | D | 28.3 | Very low | 30 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | trans | -92.4 | -164.8 | -171 | -58.8 | -86.7 | 0 | 0 | 0 | 113.7 | ||||
| 1328 | D | 32.6 | Very low | 29.5 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 86 | 98.3 | 164.9 | -61.9 | -13.6 | 0 | 0 | 0 | 120.7 | ||||
| 1329 | D | 29.8 | Very low | 29.3 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | 55.9 | 123.3 | 132.8 | -78.9 | -12.2 | 0 | 0 | 0 | 123.5 | ||||
| 1330 | G | 31 | Very low | 29.2 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | 174.1 | 68.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1331 | S | 29.7 | Very low | 29.5 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -81 | 147 | -174.3 | 76.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1332 | N | 32.6 | Very low | 29.4 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | trans | 122.5 | 117 | 156.8 | -66.9 | -60.2 | 0 | 0 | 0 | 114.4 | ||||
| 1333 | K | 30.3 | Very low | 29.3 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | 63.8 | 127.3 | 76.3 | -72.2 | -178.4 | -169 | 156.2 | 0 | 112.7 | |||||
| 1334 | T | 32 | Very low | 29.1 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | cis | -140.1 | 153.2 | 3.9 | 51.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1335 | K | 28.9 | Very low | 28.8 | Very low | 164 Ų | 164 | 139 Ų | 139 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | 36.4 | 134.8 | 85.3 | -91.2 | -156.3 | 170.6 | -135.5 | 0 | 115.4 | E1337 | K1335-E1337 IonicContact NZ-OE2 3.43Å; K1335-E1337 PolarHBondContact NZ-OE2 2.71Å | |||
| 1336 | S | 27.8 | Very low | 29.2 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | cis | -176.8 | -150.9 | -11.2 | 37.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1337 | E | 29.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 55% | 0.551 | 73% | 0.734 | S | S | * | * | cis | -168.5 | 135.4 | 8.1 | -150.1 | 79.7 | -88.8 | 0 | 0 | 107.9 | K1335 | K1335-E1337 IonicContact NZ-OE2 3.43Å; K1335-E1337 PolarHBondContact NZ-OE2 2.71Å | ||
| 1338 | M | 27.7 | Very low | 28.8 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | 72.2 | 156.6 | 158.4 | -70.9 | -174.2 | -73.5 | 0 | 0 | 120.8 | ||||
| 1339 | Q | 27.1 | Very low | 28.6 | Very low | 138 Ų | 138 | 136 Ų | 136 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | cis | -160.8 | 162.4 | 4.1 | -131.8 | 164.9 | 1.1 | 0 | 0 | 116.5 | ||||
| 1340 | F | 26.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 69% | 0.689 | 70% | 0.702 | S | S | * | * | trans | 81.3 | 129.8 | 144.2 | -85.5 | -53.1 | 0 | 0 | 0 | 125.1 | ||||
| 1341 | Q | 31.2 | Very low | 28.9 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | trans | 70.9 | 147 | 148.7 | -65.4 | 175.8 | 25.7 | 0 | 0 | 119.7 | ||||
| 1342 | N | 26.6 | Very low | 29.1 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 68% | 0.684 | 66% | 0.656 | S | S | * | * | cis | -165.4 | 162.8 | -30.1 | -161.2 | 2.9 | 0 | 0 | 0 | 109.4 | ||||
| 1343 | W | 25.2 | Very low | 29.1 | Very low | 206 Ų | 206 | 131.7 Ų | 131.7 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | trans | 66.9 | 114.7 | 170.9 | -67.4 | 88.6 | 0 | 0 | 0 | 120.8 | ||||
| 1344 | N | 25.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | 34.4 | 135.4 | 137.4 | -59.5 | -7.9 | 0 | 0 | 0 | 124.6 | ||||
| 1345 | L | 23.6 | Very low | 29.2 | Very low | 155 Ų | 155 | 125 Ų | 125 | 81% | 0.812 | 63% | 0.626 | S | S | * | * | trans | -8.8 | 158 | 148.3 | -66.9 | 100.8 | 0 | 0 | 0 | 120.5 | ||||
| 1346 | P | 32.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | cis | -144.1 | -161.3 | -31.1 | 41.7 | -22.6 | 0 | 0 | 0 | 113.7 | ||||
| 1347 | N | 25.1 | Very low | 29.3 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | trans | 73.8 | 101 | 161.2 | -90.8 | 5.9 | 0 | 0 | 0 | 121 | ||||
| 1348 | N | 29.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | 45.4 | 125.5 | 110.3 | -161.8 | 24.3 | 0 | 0 | 0 | 120.1 | |||||
| 1349 | N | 29 | Very low | 29.5 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | trans | -166.7 | 144.5 | 148.5 | -120 | -32.8 | 0 | 0 | 0 | 116.4 | ||||
| 1350 | N | 31.9 | Very low | 29.6 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | trans | 171.1 | 129.5 | 141.7 | -91.4 | -13.6 | 0 | 0 | 0 | 105.5 | ||||
| 1351 | N | 34.3 | Very low | 29.8 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 42% | 0.417 | 65% | 0.645 | S | S | . | * | cis | -160.9 | 168.4 | 22.9 | -100.2 | -37.1 | 0 | 0 | 0 | 108.2 | Q1250 S1251 | Q1250-N1351 WeakPolarHBondContact CG-O 3.47Å; S1251-N1351 WeakPolarHBondContact CA-O 3.33Å; S1251-N1351 PolarHBondContact OG-O 2.85Å | ||
| 1352 | N | 33.9 | Very low | 29.7 | Very low | 36 Ų | 36 | 123.4 Ų | 123.4 | 19% | 0.193 | 64% | 0.639 | C | S | . | * | cis | -161.5 | 159.2 | -19.9 | -164.7 | -2.5 | 0 | 0 | 0 | 109.9 | S1251 T1252 | S1251-N1352 VanDerWaalsContact CB-O 3.26Å; S1251-N1352 WeakPolarHBondContact CB-O 3.48Å; S1251-N1352 PolarHBondContact OG-N 3.12Å; S1251-N1352 PolarHBondContact OG-O 3.49Å; S1251-N1352 VanDerWaalsContact OG-O 3.06Å; T1252-N1352 VanDerWaalsContact OG1-CA 3.31Å; T1252-N1352 WeakPolarHBondContact OG1-CA 3.46Å | ||
| 1353 | Y | 32.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 60% | 0.6 | 64% | 0.644 | S | S | * | * | trans | 72.2 | 145.9 | 172.7 | -44.7 | -67.7 | 0 | 0 | 0 | 118 | T1252 C1254 | T1252-Y1353 CarbonylContact C-O 3.44Å; T1252-Y1353 PolarHBondContact N-O 2.95Å; C1254-Y1353 HydrophobicContact CB-CD1 4.45Å | ||
| 1354 | N | 32.2 | Very low | 30.1 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 44% | 0.439 | 64% | 0.642 | S | S | . | * | cis | -154.1 | 163.2 | -27.2 | -129.4 | 70 | 0 | 0 | 0 | 114.2 | G1253 C1254 | G1253-N1354 CarbonylContact O-C 3.39Å; G1253-N1354 VanDerWaalsContact O-CA 3.31Å; G1253-N1354 WeakPolarHBondContact O-CA 3.31Å; C1254-N1354 WeakPolarHBondContact CA-OD1 3.4Å; C1254-N1354 WeakPolarHBondContact CB-OD1 3.26Å; C1254-N1354 PolarHBondContact N-OD1 2.98Å; C1254-N1354 PolarHBondContact O-ND2 2.99Å; C1254-N1354 PolarHBondContact O-OD1 3.45Å | ||
| 1355 | T | 32.7 | Very low | 30.3 | Very low | 83 Ų | 83 | 119.8 Ų | 119.8 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | trans | -50.9 | 173.2 | 174 | 46.7 | 0 | 0 | 0 | 0 | 117.3 | G1253 | G1253-T1355 WeakPolarHBondContact O-CG2 3.18Å; G1253-T1355 PolarHBondContact O-N 3.06Å | ||
| 1356 | D | 32.1 | Very low | 30.4 | Very low | 145 Ų | 145 | 118.5 Ų | 118.5 | 78% | 0.775 | 64% | 0.64 | S | S | * | * | cis | -153.6 | -176.4 | 33 | -113.2 | -52.9 | 0 | 0 | 0 | 115.1 | ||||
| 1357 | C | 25.4 | Very low | 30.2 | Very low | 117 Ų | 117 | 121 Ų | 121 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | trans | -122.9 | 179.4 | -173.2 | -70.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1358 | I | 31.2 | Very low | 30.4 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 75% | 0.754 | 64% | 0.639 | S | S | * | * | trans | 111.8 | 105.8 | 151.2 | -63.3 | 178.1 | 0 | 0 | 0 | 119.9 | ||||
| 1359 | Q | 30.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 72% | 0.715 | 65% | 0.645 | S | S | * | * | trans | 75.6 | 146.5 | 139.3 | -81.7 | -180 | -55.9 | 0 | 0 | 126.4 | ||||
| 1360 | H | 30 | Very low | 30.3 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 65% | 0.653 | 65% | 0.653 | S | S | * | * | trans | 62.5 | 135.7 | 156.8 | -66.8 | -63.6 | 0 | 0 | 0 | 118.3 | ||||
| 1361 | D | 30.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | cis | -156.9 | 156.5 | -1.2 | -104.3 | -29.5 | 0 | 0 | 0 | 112.1 | ||||
| 1362 | N | 29.7 | Very low | 29.8 | Very low | 129 Ų | 129 | 129 Ų | 129 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | trans | 58 | 147.7 | 154.7 | -63.4 | -1.6 | 0 | 0 | 0 | 120.3 | ||||
| 1363 | E | 29.2 | Very low | 29.3 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | cis | -153.7 | 165.6 | -6.3 | -125 | 171.4 | -168.3 | 0 | 0 | 112.6 | ||||
| 1364 | T | 29.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | -62.8 | 165.4 | 176.4 | 44.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1365 | S | 30.2 | Very low | 29.1 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | cis | -169.5 | 160.7 | 0.3 | -113 | 0 | 0 | 0 | 0 | 114 | ||||
| 1366 | V | 27.4 | Very low | 29.4 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 51.9 | 111.3 | 144.8 | -179.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1367 | H | 27.2 | Very low | 29.1 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 73% | 0.731 | 73% | 0.733 | S | S | * | * | -167.7 | 150.7 | 113.1 | -144.5 | -77.1 | 0 | 0 | 0 | 114.1 | |||||
| 1368 | K | 29.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 73% | 0.726 | 73% | 0.733 | S | S | * | * | trans | 64.9 | 111.2 | 168.1 | -92.9 | 154.1 | 178.8 | 178.2 | 0 | 116.6 | ||||
| 1369 | L | 29.2 | Very low | 29 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 71.8 | 118.3 | 79.2 | -68.8 | 173.8 | 0 | 0 | 0 | 112.2 | |||||
| 1370 | K | 26.9 | Very low | 28.8 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | cis | 67 | 130.5 | 47.3 | -140.5 | -145.8 | 175.1 | -156.7 | 0 | 109.3 | ||||
| 1371 | E | 27.7 | Very low | 28.8 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | -133.4 | -163.1 | 20.9 | -70.7 | 169.5 | 151.2 | 0 | 0 | 110.2 | ||||
| 1372 | T | 28.6 | Very low | 28.7 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | cis | -160.3 | 155 | 15.5 | -31.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1373 | F | 24.1 | Very low | 28.6 | Very low | 193 Ų | 193 | 136 Ų | 136 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -144.7 | 168.3 | 152.8 | -122.1 | -85.8 | 0 | 0 | 0 | 108.7 | ||||
| 1374 | N | 29.3 | Very low | 28.7 | Very low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 77.1 | 137.6 | -178.9 | -56 | -7 | 0 | 0 | 0 | 117.2 | ||||
| 1375 | N | 30.2 | Very low | 28.6 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | 173.6 | 151 | 110.9 | -85 | -16.7 | 0 | 0 | 0 | 111.9 | |||||
| 1376 | P | 38.7 | Very low | 28.9 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -124.6 | 177.1 | 138.5 | 38 | -30.6 | 0 | 0 | 0 | 112.7 | ||||
| 1377 | C | 26 | Very low | 29.3 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | 78.8 | 87.3 | 164.5 | -65.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1378 | L | 28.1 | Very low | 29.7 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 56.4 | 120.6 | 118.7 | -59 | 174.4 | 0 | 0 | 0 | 123 | |||||
| 1379 | L | 26.6 | Very low | 29.8 | Very low | 145 Ų | 145 | 126 Ų | 126 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 68.2 | 118.7 | 140 | -86.1 | 81.5 | 0 | 0 | 0 | 123 | ||||
| 1380 | S | 27.5 | Very low | 30 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | 72.8 | 148.5 | 134.3 | 72.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1381 | S | 29.7 | Very low | 30.3 | Very low | 92 Ų | 92 | 117 Ų | 117 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | cis | -173.7 | 139.6 | -25.9 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1382 | T | 27.1 | Very low | 30.5 | Very low | 140 Ų | 140 | 115.7 Ų | 115.7 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | trans | 59 | 162.7 | 162.6 | 47.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1383 | C | 28.8 | Very low | 30.6 | Very low | 111 Ų | 111 | 114 Ų | 114 | 75% | 0.75 | 70% | 0.704 | S | S | * | * | cis | -145.6 | 150.8 | -8.8 | 32.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1384 | A | 30 | Very low | 30.8 | Very low | 105 Ų | 105 | 112.3 Ų | 112.3 | 87% | 0.868 | 70% | 0.704 | S | S | * | * | cis | 73.7 | 133.2 | 44.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1385 | G | 29.1 | Very low | 30.7 | Very low | 64 Ų | 64 | 110 Ų | 110 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | 165.8 | 63.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1386 | V | 35.9 | Very low | 30.8 | Very low | 147 Ų | 147 | 109.5 Ų | 109.5 | 89% | 0.891 | 70% | 0.696 | S | S | * | * | trans | -156 | 138.7 | 161 | -174.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1387 | D | 34.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 110.5 Ų | 110.5 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | cis | -173.6 | 147.5 | -47.9 | -114.6 | 47.9 | 0 | 0 | 0 | 107.1 | ||||
| 1388 | N | 35.6 | Very low | 30.5 | Very low | 143 Ų | 143 | 111.4 Ų | 111.4 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | cis | -160.8 | 166.9 | -20.8 | -128.9 | -32.3 | 0 | 0 | 0 | 106.2 | ||||
| 1389 | G | 32.7 | Very low | 30.6 | Very low | 46 Ų | 46 | 111 Ų | 111 | 47% | 0.474 | 69% | 0.691 | S | S | . | * | cis | 179.5 | 178.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1099 | P1099-G1389 VanDerWaalsContact CG-O 3.24Å; P1099-G1389 WeakPolarHBondContact CG-O 3.45Å | ||
| 1390 | G | 32.3 | Very low | 30.7 | Very low | 54 Ų | 54 | 111.1 Ų | 111.1 | 56% | 0.557 | 69% | 0.692 | S | S | * | * | trans | 86.6 | 159.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1391 | T | 32.6 | Very low | 30.9 | Very low | 66 Ų | 66 | 113.6 Ų | 113.6 | 41% | 0.405 | 70% | 0.697 | S | S | . | * | cis | -129.4 | 178.5 | 28.3 | -46.7 | 0 | 0 | 0 | 0 | 114.9 | Q1098 P1099 | Q1098-T1391 HydrophobicContact CB-CG2 3.98Å; Q1098-T1391 PolarHBondContact NE2-O 3.31Å; P1099-T1391 VanDerWaalsContact C-OG1 3.31Å; P1099-T1391 WeakPolarHBondContact CD-OG1 3.34Å; P1099-T1391 WeakPolarHBondContact O-CB 3.43Å; P1099-T1391 WeakPolarHBondContact O-CG2 3.31Å; P1099-T1391 PolarHBondContact O-OG1 3.01Å | ||
| 1392 | H | 32.8 | Very low | 30.9 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 52% | 0.523 | 70% | 0.702 | S | S | . | * | trans | -47 | 173.4 | 171 | -72.1 | -65.2 | 0 | 0 | 0 | 115.9 | Q1098 | Q1098-H1392 PolarHBondContact OE1-CE1 3.49Å; Q1098-H1392 VanDerWaalsContact OE1-CE1 3.26Å; Q1098-H1392 VanDerWaalsContact OE1-N 3.11Å; Q1098-H1392 PolarHBondContact OE1-ND1 3.17Å | ||
| 1393 | S | 31.1 | Very low | 30.8 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | cis | 164.5 | 127.5 | -31 | -80 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1394 | N | 27.7 | Very low | 30.6 | Very low | 158 Ų | 158 | 120.3 Ų | 120.3 | 85% | 0.845 | 69% | 0.692 | S | S | * | * | trans | 61 | 173.2 | 164.4 | -57.8 | -5.3 | 0 | 0 | 0 | 115.4 | ||||
| 1395 | S | 28 | Very low | 30.5 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | cis | -158 | 178.1 | -40.1 | 53 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1396 | D | 31 | Very low | 30.5 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | 58.8 | 112.6 | 153.3 | -43.4 | -40.5 | 0 | 0 | 0 | 121.6 | ||||
| 1397 | D | 32.1 | Very low | 30.1 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | 33.6 | 116.8 | 128.8 | -69.3 | -1.6 | 0 | 0 | 0 | 123.1 | |||||
| 1398 | N | 27.8 | Very low | 29.8 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | 80 | 137.1 | 127.6 | -61.4 | -31.6 | 0 | 0 | 0 | 124.1 | |||||
| 1399 | D | 29.7 | Very low | 29.4 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | trans | 77 | 140.9 | 146.3 | -59.7 | -22.9 | 0 | 0 | 0 | 123.6 | ||||
| 1400 | D | 28.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | 50.6 | 114 | 160.8 | -64.3 | -23.7 | 0 | 0 | 0 | 121.5 | ||||
| 1401 | D | 31.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | -152.4 | 160.9 | 109.3 | -139.3 | -25 | 0 | 0 | 0 | 113.9 | |||||
| 1402 | Y | 29.7 | Very low | 28.6 | Very low | 191 Ų | 191 | 133 Ų | 133 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -73.3 | 135.7 | -172.9 | -91.8 | -123.7 | 0 | 0 | 0 | 113.1 | ||||
| 1403 | L | 26.3 | Very low | 28.2 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | 58.4 | 119.4 | 79 | -81.3 | -176.6 | 0 | 0 | 0 | 116.6 | |||||
| 1404 | F | 24.6 | Very low | 28.2 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 75% | 0.746 | 74% | 0.743 | S | S | * | * | trans | 65 | 144.7 | 164 | -76.1 | -88.9 | 0 | 0 | 0 | 116.9 | ||||
| 1405 | F | 27.2 | Very low | 28.2 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | cis | -158.5 | 161 | 40.4 | -117.4 | -65.1 | 0 | 0 | 0 | 114.3 | ||||
| 1406 | A | 28.6 | Very low | 28.3 | Very low | 80 Ų | 80 | 136 Ų | 136 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | trans | 71 | 148.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1407 | S | 28.3 | Very low | 28 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | cis | -167.7 | 161.6 | -14.7 | -101.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1408 | G | 29.1 | Very low | 28 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 121.3 | 84 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1409 | L | 26.7 | Very low | 27.9 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | cis | 68.6 | 144.9 | 43.6 | -61.7 | 176.7 | 0 | 0 | 0 | 114.8 | ||||
| 1410 | L | 28.8 | Very low | 28 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | 70.3 | 110.3 | -172 | -48.4 | 176 | 0 | 0 | 0 | 111.8 | ||||
| 1411 | S | 25.5 | Very low | 27.8 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | cis | 57.8 | 87.4 | 18.6 | -178 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1412 | L | 26.5 | Very low | 27.8 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | -170.2 | 164.7 | 140.1 | -103.7 | 163.7 | 0 | 0 | 0 | 111 | ||||
| 1413 | S | 23.9 | Very low | 27.8 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 52% | 0.524 | 73% | 0.734 | S | S | . | * | trans | -12.3 | 135.3 | 171.1 | -45.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1414 | N | 31.4 | Very low | 28 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | -154.5 | 136.6 | 82.4 | -82.9 | -14.5 | 0 | 0 | 0 | 109.4 | |||||
| 1415 | Q | 26.7 | Very low | 28.3 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 61% | 0.607 | 74% | 0.741 | S | S | * | * | cis | 95.5 | 143.8 | 46 | -97.9 | 172.6 | -107.1 | 0 | 0 | 113.5 | ||||
| 1416 | E | 30.8 | Very low | 28.5 | Very low | 149 Ų | 149 | 128 Ų | 128 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | 65.1 | 118.2 | 167.7 | -72.8 | 125 | -135.7 | 0 | 0 | 116.7 | ||||
| 1417 | S | 25.2 | Very low | 28.8 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | 71.6 | 147 | 53.2 | 85.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1418 | C | 31 | Very low | 28.9 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | cis | -119 | 146.8 | 21.9 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1419 | D | 27.5 | Very low | 29 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | 49 | 100.6 | 76.5 | -79.9 | -25.4 | 0 | 0 | 0 | 113.9 | |||||
| 1420 | L | 30.1 | Very low | 29.2 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | -149 | 117.3 | 124.9 | -158.2 | 71.2 | 0 | 0 | 0 | 110.1 | |||||
| 1421 | D | 25.3 | Very low | 29.2 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -92.6 | 173.7 | 173.9 | -156.3 | -15.1 | 0 | 0 | 0 | 110.1 | ||||
| 1422 | Q | 30 | Very low | 29.6 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | 75.4 | 150.8 | -174 | -44 | 178 | 21.5 | 0 | 0 | 113.2 | ||||
| 1423 | Q | 31 | Very low | 29.7 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | cis | -157.2 | 125.6 | 29.6 | -151.1 | 156.2 | 76.3 | 0 | 0 | 112.9 | ||||
| 1424 | I | 30.7 | Very low | 30 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 64% | 0.641 | 74% | 0.735 | S | S | * | * | trans | 61 | 136.3 | 130.1 | -63.1 | -179.3 | 0 | 0 | 0 | 121.5 | ||||
| 1425 | E | 30.3 | Very low | 30 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | trans | 65.9 | 139.2 | 159.7 | -75.8 | 153 | -148.7 | 0 | 0 | 120.7 | ||||
| 1426 | G | 32.1 | Very low | 30.2 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | 166.2 | -178.8 | -9.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1427 | S | 33.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 82.5 | 103.9 | 158.9 | 66 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1428 | N | 31.1 | Very low | 30.4 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | 96.8 | 89.5 | 114.9 | -64.1 | 5.9 | 0 | 0 | 0 | 123.5 | |||||
| 1429 | T | 31.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | 58 | 124.1 | 112 | 57.6 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1430 | E | 29.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 63.8 | 129.5 | 129.4 | -60 | 174.2 | -168.9 | 0 | 0 | 119.8 | |||||
| 1431 | E | 30.6 | Very low | 30.6 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | -163.6 | 147.9 | 73.9 | -101.6 | -154.9 | 104.2 | 0 | 0 | 116.4 | |||||
| 1432 | S | 32.5 | Very low | 30.8 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | trans | 58.6 | 116.8 | 131.8 | -62.6 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1433 | L | 29.8 | Very low | 30.7 | Very low | 146 Ų | 146 | 138 Ų | 138 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | 87.8 | 119.7 | 123.7 | -65.7 | 169.7 | 0 | 0 | 0 | 124.4 | |||||
| 1434 | T | 30.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 64.1 | 144.7 | 142.7 | 66.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1435 | H | 30.9 | Very low | 30.6 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | cis | -154.5 | 149.1 | 32.6 | -122.5 | -71 | 0 | 0 | 0 | 114.6 | ||||
| 1436 | S | 30.2 | Very low | 30.6 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 64 | 131.8 | 149.8 | -55.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1437 | S | 29.1 | Very low | 30.4 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -127.2 | 164.3 | 176.3 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1438 | M | 32.4 | Very low | 30.3 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -159.6 | 141.8 | 147.2 | -79.9 | -146.9 | 174.2 | 0 | 0 | 110.6 | ||||
| 1439 | N | 27.9 | Very low | 30.3 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -111 | 166.8 | 171.9 | -74.1 | -16.3 | 0 | 0 | 0 | 110 | ||||
| 1440 | F | 35.8 | Very low | 30.2 | Very low | 217 Ų | 217 | 131.8 Ų | 131.8 | 95% | 0.952 | 75% | 0.751 | S | S | * | * | trans | -145.8 | 157 | 157.6 | -123 | -84.4 | 0 | 0 | 0 | 111.7 | ||||
| 1441 | D | 28.6 | Very low | 30.3 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | -130.2 | 178.3 | -165 | -149.1 | -21 | 0 | 0 | 0 | 112.9 | ||||
| 1442 | V | 29 | Very low | 30.4 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -82.9 | 155.8 | -168.4 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1443 | S | 28.7 | Very low | 30.3 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | 168.2 | 146.4 | 82.4 | -151.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1444 | T | 31.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 119 Ų | 119 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | trans | 63.9 | 105.2 | 132.1 | -61.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1445 | M | 27.6 | Very low | 30.7 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | 64.3 | 159.4 | 126.3 | -60.3 | -176.6 | 74.8 | 0 | 0 | 125.2 | M784 | M784-M1445 HydrophobicContact CE-CE 4.26Å; M784-M1445 HydrophobicContact CG-CE 3.65Å | |||
| 1446 | A | 29.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 114.7 Ų | 114.7 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | 99.8 | 151.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1447 | S | 28.9 | Very low | 30.7 | Very low | 106 Ų | 106 | 115.4 Ų | 115.4 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | trans | -153.5 | 173.9 | -163.3 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1448 | T | 30.7 | Very low | 30.7 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 86% | 0.859 | 68% | 0.675 | S | S | * | * | trans | 75.1 | 136.6 | -178.1 | 72.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1449 | S | 30.4 | Very low | 30.7 | Very low | 71 Ų | 71 | 113.2 Ų | 113.2 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | cis | -163.9 | 147.9 | -13.5 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1450 | V | 30.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | trans | -14.3 | 144.8 | 156.1 | -108.5 | 0 | 0 | 0 | 0 | 116.8 | T737 N738 | T737-V1450 CarbonylContact C-O 3.48Å; T737-V1450 WeakPolarHBondContact CB-O 3.47Å; T737-V1450 CarbonylContact O-C 3.16Å; T737-V1450 PolarHBondContact OG1-O 3.47Å; N738-V1450 WeakPolarHBondContact CB-O 3.36Å | ||
| 1451 | S | 31 | Very low | 30.6 | Very low | 59 Ų | 59 | 106.3 Ų | 106.3 | 41% | 0.413 | 66% | 0.661 | S | S | . | * | cis | -134.1 | -115.4 | 19.2 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | S736 T737 N738 | S736-S1451 WeakPolarHBondContact O-CB 3.47Å; S736-S1451 PolarHBondContact O-OG 2.87Å; T737-S1451 WeakPolarHBondContact O-CA 3.49Å; T737-S1451 WeakPolarHBondContact O-CB 3.45Å; T737-S1451 PolarHBondContact O-N 2.79Å; T737-S1451 PolarHBondContact O-OG 3.07Å; N738-S1451 CarbonylContact O-C 3.53Å; N738-S1451 PolarHBondContact O-N 3Å | ||
| 1452 | E | 32.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 107.1 Ų | 107.1 | 53% | 0.533 | 67% | 0.665 | S | S | . | * | cis | -157 | 117.6 | 0.7 | -146 | -167.7 | -53.5 | 0 | 0 | 113.4 | ||||
| 1453 | L | 31.3 | Very low | 31 | Very low | 53 Ų | 53 | 105.6 Ų | 105.6 | 28% | 0.277 | 67% | 0.665 | S | S | . | * | trans | 72 | -177.3 | 137.9 | -93.2 | 51.6 | 0 | 0 | 0 | 125.7 | I756 S757 | I756-L1453 HydrophobicContact CG1-CD1 3.86Å; I756-L1453 HydrophobicContact CG1-CG 4.23Å; S757-L1453 VanDerWaalsContact CA-O 3.25Å; S757-L1453 WeakPolarHBondContact CA-O 3.24Å; S757-L1453 PolarHBondContact N-O 3.35Å | ||
| 1454 | T | 34.4 | Very low | 31.1 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 53% | 0.534 | 67% | 0.671 | S | S | . | * | trans | 58.1 | 121.1 | 178.7 | 53 | 0 | 0 | 0 | 0 | 121.4 | N755 I756 S757 G758 | N755-T1454 WeakPolarHBondContact O-CA 3.33Å; N755-T1454 PolarHBondContact O-N 3.03Å; I756-T1454 VanDerWaalsContact C-N 3.31Å; I756-T1454 VanDerWaalsContact CA-N 3.26Å; I756-T1454 VanDerWaalsContact N-CA 3.32Å; I756-T1454 CarbonylContact O-C 3.32Å; S757-T1454 CarbonylContact C-O 3.55Å; S757-T1454 WeakPolarHBondContact CA-O 3.36Å; S757-T1454 PolarHBondContact N-O 3.42Å; G758-T1454 PolarHBondContact N-O 2.92Å | ||
| 1455 | T | 32.1 | Very low | 30.9 | Very low | 103 Ų | 103 | 108.4 Ų | 108.4 | 63% | 0.632 | 67% | 0.672 | S | S | * | * | cis | -148.9 | 147.4 | -6.4 | -59.7 | 0 | 0 | 0 | 0 | 114.4 | I756 | I756-T1455 VanDerWaalsContact C-N 3.35Å; I756-T1455 CarbonylContact O-C 3.57Å; I756-T1455 WeakPolarHBondContact O-CA 3.04Å; I756-T1455 PolarHBondContact O-N 3.01Å | ||
| 1456 | T | 28.8 | Very low | 31 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 51% | 0.509 | 68% | 0.675 | S | S | . | * | trans | -66.3 | 161.3 | 178.9 | 54.4 | 0 | 0 | 0 | 0 | 118.4 | I756 | I756-T1456 HydrophobicContact CB-CG2 4.5Å; I756-T1456 HydrophobicContact CG2-CG2 4.22Å; I756-T1456 PolarHBondContact O-N 3.26Å | ||
| 1457 | T | 34.1 | Very low | 31 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | -157.9 | 118.2 | 143.2 | 21.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1458 | T | 28.9 | Very low | 31.1 | Very low | 121 Ų | 121 | 110.9 Ų | 110.9 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | 18.6 | 145.1 | 125.6 | 59.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1459 | T | 31.9 | Very low | 31.3 | Very low | 130 Ų | 130 | 110.1 Ų | 110.1 | 80% | 0.798 | 66% | 0.659 | S | S | * | * | -148.5 | 165.6 | 52.3 | 39.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1460 | T | 29.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 113.5 Ų | 113.5 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | trans | -53.3 | 167.5 | 158.9 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1461 | A | 31.6 | Very low | 31.4 | Very low | 95 Ų | 95 | 113.2 Ų | 113.2 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | cis | -154 | -166.2 | 32.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1462 | N | 34.5 | Very low | 31.6 | Very low | 162 Ų | 162 | 115 Ų | 115 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | trans | -91.8 | 146.7 | -162.2 | -65.9 | -35 | 0 | 0 | 0 | 116.4 | ||||
| 1463 | A | 31.3 | Very low | 31.6 | Very low | 92 Ų | 92 | 117.3 Ų | 117.3 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | 42.7 | 110.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1464 | L | 30.7 | Very low | 31.7 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | -175.5 | 132.9 | 95.5 | -101.8 | 166.8 | 0 | 0 | 0 | 113.8 | |||||
| 1465 | T | 28 | Very low | 31.7 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | trans | 44.1 | 141.8 | 151.5 | 36.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 1466 | I | 30.1 | Very low | 31.8 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | 75.1 | 110.5 | 151.9 | -68.2 | 162.2 | 0 | 0 | 0 | 114.2 | ||||
| 1467 | L | 29 | Very low | 32.1 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | 63.5 | 135.8 | 82.1 | -75.4 | 161.1 | 0 | 0 | 0 | 112.4 | |||||
| 1468 | T | 31.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | cis | -147.2 | 147.4 | 15.7 | 20.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1469 | N | 33.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | 48.5 | 123.4 | 82.3 | -55.7 | -10.9 | 0 | 0 | 0 | 116.6 | |||||
| 1470 | N | 32.1 | Very low | 32.7 | Very low | 143 Ų | 143 | 125 Ų | 125 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | 160.9 | 137.1 | 111.3 | -86.5 | -26.5 | 0 | 0 | 0 | 115.2 | |||||
| 1471 | T | 31.8 | Very low | 33 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 56% | 0.558 | 71% | 0.706 | S | S | * | * | trans | -134.8 | 98.9 | 135.8 | 42.3 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1472 | T | 34.3 | Very low | 33.2 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 60% | 0.595 | 70% | 0.703 | S | S | * | * | 65.9 | 134.2 | 96.7 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1473 | F | 33 | Very low | 33.4 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | cis | -129 | 134.8 | 25.7 | -95.7 | -104 | 0 | 0 | 0 | 110.3 | ||||
| 1474 | E | 33.4 | Very low | 33.5 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 66% | 0.659 | 70% | 0.7 | S | S | * | * | 70.3 | 148.3 | 92.4 | -70.6 | -174.4 | -170.4 | 0 | 0 | 114.5 | |||||
| 1475 | E | 34.7 | Very low | 33.7 | Very low | 166 Ų | 166 | 126 Ų | 126 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | cis | -154.5 | 166.3 | 3.1 | -125.7 | -174.3 | 163.9 | 0 | 0 | 106.7 | ||||
| 1476 | S | 34.8 | Very low | 34 | Very low | 89 Ų | 89 | 126 Ų | 126 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | cis | -152.5 | 175.2 | 2.9 | 55.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1477 | N | 35.3 | Very low | 34.2 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | cis | -167.6 | 161.3 | 32.6 | -149.9 | -24.4 | 0 | 0 | 0 | 112.4 | ||||
| 1478 | V | 36.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | 68.3 | 95.4 | 165.7 | -174.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1479 | T | 34.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | 83 | 138.9 | 61.8 | 64.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1480 | T | 36.8 | Very low | 34.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | cis | -171.4 | 151.8 | 10 | 18.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1481 | N | 36.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | trans | 68.8 | 151.9 | 144.5 | -64 | 21.8 | 0 | 0 | 0 | 122 | ||||
| 1482 | E | 35.3 | Very low | 34.5 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | cis | -165.2 | 140.6 | -10.5 | -111.2 | 170.2 | 133.6 | 0 | 0 | 113.3 | ||||
| 1483 | V | 37.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | 60.1 | 151.2 | 131.5 | 176.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 1484 | T | 34.1 | Very low | 34.3 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | cis | -143.6 | -129 | 41.1 | -23.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1485 | V | 34.3 | Very low | 34.3 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -147.4 | 166.6 | -159.1 | -153.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1486 | V | 34.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | trans | 129.6 | 118.9 | 137.5 | -173.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1487 | E | 34.1 | Very low | 34.1 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | trans | 50.6 | 134.2 | 146.9 | -66 | 159 | -176.3 | 0 | 0 | 128.7 | ||||
| 1488 | E | 34 | Very low | 34 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 64.4 | 128.3 | 130.6 | -64.7 | -171.4 | 169.2 | 0 | 0 | 127.9 | ||||
| 1489 | D | 33.1 | Very low | 33.8 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | 66.4 | 126 | 133.3 | -85.7 | 26.3 | 0 | 0 | 0 | 128.5 | ||||
| 1490 | S | 32.6 | Very low | 33.7 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | 113 | 124.6 | 122.7 | 73.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1491 | F | 31.5 | Very low | 33.3 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 77% | 0.772 | 74% | 0.743 | S | S | * | * | trans | 65.7 | 151.3 | 134.7 | -80.1 | -127.7 | 0 | 0 | 0 | 121.1 | ||||
| 1492 | Q | 33.7 | Very low | 33 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | -169.9 | 151.3 | -21.1 | -123.5 | -169.4 | 12.4 | 0 | 0 | 112.1 | ||||
| 1493 | S | 31.4 | Very low | 33 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | trans | 60.1 | 161.1 | 139.5 | -61.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1494 | N | 32.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | cis | -160 | 151.7 | -24.8 | -104.3 | -12.1 | 0 | 0 | 0 | 114.8 | ||||
| 1495 | T | 32.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | -48 | 160.6 | 168.7 | -36.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1496 | I | 33.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | 154.1 | 157.3 | 130.4 | -78.9 | 170.8 | 0 | 0 | 0 | 114.6 | ||||
| 1497 | M | 32.4 | Very low | 33.5 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | -97.1 | 168 | -171.9 | -59.7 | -159.6 | -62.1 | 0 | 0 | 116.2 | ||||
| 1498 | N | 33.5 | Very low | 33.4 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 22.8 | 137.3 | 146.6 | -56.3 | -11.6 | 0 | 0 | 0 | 119.4 | ||||
| 1499 | T | 32.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | cis | -165.5 | 159.4 | 39.1 | -29.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1500 | A | 32 | Very low | 33.4 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | trans | 69 | 108.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1501 | T | 29.1 | Very low | 33.4 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | 67.7 | 110.3 | 134.5 | -34.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1502 | V | 30.3 | Very low | 33.4 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | 174.1 | 149 | 117.5 | 154.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1503 | V | 35.3 | Very low | 33.3 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -115.7 | 141.8 | -176.6 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1504 | P | 46.9 | Very low | 33.3 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | -125 | 129.1 | 121.7 | 1.3 | 20.3 | 0 | 0 | 0 | 110.8 | |||||
| 1505 | D | 32.2 | Very low | 33.4 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | 64 | 116.4 | 87.9 | -63.5 | -43 | 0 | 0 | 0 | 113.2 | |||||
| 1506 | T | 36.6 | Very low | 33.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | -170.7 | 160.2 | 66.1 | 34.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1507 | N | 35.1 | Very low | 33.3 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | 60.7 | 110.1 | 154.1 | -58.6 | -14 | 0 | 0 | 0 | 118.8 | ||||
| 1508 | S | 31.8 | Very low | 33.3 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 72.5 | 141.7 | 72.7 | 84.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1509 | T | 35.2 | Very low | 33.2 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | cis | -163.5 | 137.2 | 25.7 | -21 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1510 | S | 30.6 | Very low | 33.1 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | 46.1 | 160.6 | 137.1 | 68.2 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1511 | T | 34.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 78.7 | 115.3 | 164.1 | 64.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1512 | N | 30.7 | Very low | 33 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | 79 | 117.4 | 65 | -76.6 | -20.3 | 0 | 0 | 0 | 114.2 | |||||
| 1513 | F | 32.7 | Very low | 33.1 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | -173.3 | 176.6 | 109 | -111.5 | -80 | 0 | 0 | 0 | 112.8 | |||||
| 1514 | V | 30.1 | Very low | 33 | Very low | 114 Ų | 114 | 132 Ų | 132 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -129 | 135.7 | -171 | 171 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1515 | F | 34.3 | Very low | 32.3 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | trans | -164.8 | 127.8 | 144.4 | -82.8 | -68.7 | 0 | 0 | 0 | 106 | ||||
| 1516 | Q | 33.8 | Very low | 32.4 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | cis | 90.1 | 95.2 | 41.8 | -158.6 | 177 | 22.5 | 0 | 0 | 114 | ||||
| 1517 | N | 30.2 | Very low | 32.4 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | 25.4 | 150.2 | 150.8 | -60.5 | 4.8 | 0 | 0 | 0 | 123.4 | ||||
| 1518 | S | 32.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | 70.7 | 148.8 | 144 | 49.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1519 | S | 31.4 | Very low | 32.6 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | cis | -171.1 | 153.4 | -8.3 | -106.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1520 | L | 30.3 | Very low | 32.6 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | 64.1 | 164.1 | 153 | -60.5 | 165.3 | 0 | 0 | 0 | 115.5 | ||||
| 1521 | D | 28.4 | Very low | 32.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | -159.8 | 178.7 | -2.5 | -137.9 | -33.8 | 0 | 0 | 0 | 111.1 | ||||
| 1522 | I | 31.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 65% | 0.651 | 71% | 0.707 | S | S | * | * | trans | 66.4 | 138.8 | 144.8 | -74.7 | 165.4 | 0 | 0 | 0 | 118.4 | ||||
| 1523 | Q | 31.2 | Very low | 33.1 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | cis | -168 | 156 | -4.7 | -111 | 171.7 | 11.9 | 0 | 0 | 111.7 | ||||
| 1524 | H | 33 | Very low | 33.3 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | trans | 53.1 | 164.3 | 146.1 | -66.7 | -50.5 | 0 | 0 | 0 | 120.6 | ||||
| 1525 | Q | 33.3 | Very low | 33.6 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | cis | -158.2 | 176.6 | -0.1 | -128 | 164.8 | -79.6 | 0 | 0 | 107.2 | ||||
| 1526 | D | 34.6 | Very low | 33.7 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | cis | -161.9 | -170.7 | 2.1 | -149.4 | -29 | 0 | 0 | 0 | 109.8 | ||||
| 1527 | S | 35.9 | Very low | 33.9 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | 74.5 | 133.5 | 162.9 | -57.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1528 | N | 36.1 | Very low | 34.3 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | cis | -150.8 | 142.3 | 4.4 | -104.7 | -32.4 | 0 | 0 | 0 | 111.9 | ||||
| 1529 | N | 35 | Very low | 34.6 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | 36.2 | 142.2 | 134.3 | -58.3 | -2.2 | 0 | 0 | 0 | 121.1 | ||||
| 1530 | N | 34.5 | Very low | 34.9 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 60% | 0.604 | 67% | 0.672 | S | S | * | * | cis | -162.6 | 160.8 | 8.3 | -123.1 | 36.7 | 0 | 0 | 0 | 111.2 | ||||
| 1531 | D | 35.5 | Very low | 35.1 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | trans | 59.3 | 147.7 | 142.8 | -64.8 | -19.5 | 0 | 0 | 0 | 121.8 | ||||
| 1532 | N | 35.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | cis | -162.9 | 144.3 | -7.1 | -127.4 | -51.4 | 0 | 0 | 0 | 111.5 | ||||
| 1533 | N | 35.8 | Very low | 35.7 | Very low | 123 Ų | 123 | 128 Ų | 128 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | trans | 60.4 | 148.7 | 165.9 | -64.3 | -78 | 0 | 0 | 0 | 118 | ||||
| 1534 | K | 37 | Very low | 35.6 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | cis | -158.4 | 134.7 | -7.5 | -124.2 | 167.2 | -173.7 | 171.3 | 0 | 109.9 | ||||
| 1535 | S | 36.2 | Very low | 35.7 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | 29.5 | 138.6 | 139.6 | 82 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1536 | N | 35.9 | Very low | 35.6 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | cis | -178.5 | 106.6 | 21.3 | -158.7 | -48.7 | 0 | 0 | 0 | 112.4 | K1551 | N1536-K1551 VanDerWaalsContact CG-NZ 3.34Å; N1536-K1551 PolarHBondContact O-NZ 2.65Å; N1536-K1551 PolarHBondContact OD1-NZ 2.95Å | ||
| 1537 | N | 37.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | trans | 34.6 | 168.2 | 142.6 | -50.8 | 98.7 | 0 | 0 | 0 | 123.3 | K1551 | N1537-K1551 VanDerWaalsContact C-CE 3.48Å; N1537-K1551 WeakPolarHBondContact O-CE 3.47Å; N1537-K1551 PolarHBondContact O-NZ 3.47Å | ||
| 1538 | N | 39.4 | Very low | 35.5 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | cis | -165.2 | 143.9 | -26.1 | -105.1 | 43 | 0 | 0 | 0 | 110.7 | ||||
| 1539 | N | 38.4 | Very low | 35.6 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | trans | 62 | 130.7 | 135.2 | -56.7 | 14.3 | 0 | 0 | 0 | 127.2 | ||||
| 1540 | N | 38.7 | Very low | 35.7 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | 99.5 | 125.6 | 134.5 | -78.6 | 19.7 | 0 | 0 | 0 | 125 | ||||
| 1541 | C | 34.5 | Very low | 35.8 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | 77.9 | 121 | 148.2 | -67.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1542 | C | 34.1 | Very low | 35.8 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 72.6 | 148.7 | 153.8 | -62.8 | 0 | 0 | 0 | 0 | 120.1 | ||
| 1543 | L | 37.1 | Very low | 35.8 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | 56.7 | 77.3 | 175.1 | -56.7 | 177.9 | 0 | 0 | 0 | 114.7 | S1545 | L1543-S1545 PolarHBondContact O-N 3.49Š| ||
| 1544 | S | 29.7 | Very low | 36 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 88% | 0.881 | 73% | 0.732 | S | S | * | * | trans | -95 | 81.7 | -162.6 | 54.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1545 | S | 33.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -148.6 | 56.9 | 159.1 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | L1543 | L1543-S1545 PolarHBondContact O-N 3.49Š|
| 1546 | T | 32.6 | Very low | 36.3 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 55.9 | 100.3 | 150 | 55.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1547 | S | 33.3 | Very low | 36.4 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 178.5 | 104.3 | 111.3 | 38.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1548 | S | 35.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 54.2 | 113.5 | 134.9 | -49.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1549 | S | 36.7 | Very low | 36.1 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | 163.6 | 103.9 | 113.1 | -71.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1550 | S | 37.6 | Very low | 36 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | 56.9 | 109.2 | 133.8 | -169.6 | 0 | 0 | 0 | 0 | 128.2 | ||||
| 1551 | K | 36 | Very low | 35.8 | Very low | 91 Ų | 91 | 133 Ų | 133 | 40% | 0.396 | 80% | 0.8 | S | S | . | * | trans | 59.8 | 140.9 | 130.7 | -56.3 | 170.9 | -169 | 167.7 | 0 | 122.8 | N1536 N1537 | N1536-K1551 VanDerWaalsContact CG-NZ 3.34Å; N1536-K1551 PolarHBondContact O-NZ 2.65Å; N1536-K1551 PolarHBondContact OD1-NZ 2.95Å; N1537-K1551 VanDerWaalsContact C-CE 3.48Å; N1537-K1551 WeakPolarHBondContact O-CE 3.47Å; N1537-K1551 PolarHBondContact O-NZ 3.47Å | ||
| 1552 | H | 36.1 | Very low | 35.9 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 70% | 0.704 | 80% | 0.802 | S | S | * | * | -176.5 | 150.7 | 58.2 | -125 | -55.5 | 0 | 0 | 0 | 116.3 | |||||
| 1553 | K | 36.4 | Very low | 36 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 70.4 | 103.8 | 144.7 | -95.7 | -176.5 | 175.9 | -175.6 | 0 | 126.1 | ||||
| 1554 | T | 39.6 | Very low | 35.9 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | 61 | 134.1 | 118.9 | 55.8 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 1555 | N | 39 | Very low | 36.5 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 72.1 | 107.8 | 147.8 | -64.2 | 19.2 | 0 | 0 | 0 | 120.7 | ||||
| 1556 | V | 41.2 | Very low | 36.7 | Very low | 220 Ų | 220 | 134.9 Ų | 134.9 | 100% | 1.333 | 79% | 0.787 | S | S | * | * | -138.8 | 0 | 87.7 | 157.3 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 1,556 of 1,556 residues in 1587.1 ms
(Link to these results)