| 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 | 58.2 | Low | 61.7 | Low | 251 Ų | 251 | 154.5 Ų | 154.5 | 100% | 1.236 | 86% | 0.855 | S | S | * | * | 0 | 88.2 | 0 | -77.5 | 163.9 | 164.7 | 0 | 0 | 106.4 | |||||
| 2 | E | 56.5 | Low | 61.1 | Low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 85% | 0.851 | S | S | * | * | trans | -126.4 | 113.2 | 179.3 | -160 | 163.1 | 121.9 | 0 | 0 | 107.2 | ||||
| 3 | F | 54.4 | Low | 60.1 | Low | 214 Ų | 214 | 145.8 Ų | 145.8 | 94% | 0.939 | 85% | 0.85 | S | S | * | * | trans | -95.8 | 94.4 | -170.4 | -135.9 | -93.2 | 0 | 0 | 0 | 107.2 | A5 | F3-A5 PolarHBondContact O-N 3.45Š| ||
| 4 | T | 68.8 | Low | 59 | Low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 85% | 0.847 | S | S | * | * | trans | -79.4 | 114.6 | 174 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | A | 63.8 | Low | 58.4 | Low | 80 Ų | 80 | 135.9 Ų | 135.9 | 66% | 0.661 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 147.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | F3 | F3-A5 PolarHBondContact O-N 3.45Š|
| 6 | P | 67.3 | Low | 58 | Low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 153.2 | 176.6 | 32.1 | -33.4 | 0 | 0 | 0 | 112 | ||
| 7 | P | 70.8 | Confident | 57.5 | Low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 156.2 | -180 | 30.8 | -34.3 | 0 | 0 | 0 | 112.4 | ||
| 8 | P | 62.1 | Low | 57.2 | Low | 120 Ų | 120 | 145.4 Ų | 145.4 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 139.7 | -174.6 | 30.2 | -34 | 0 | 0 | 0 | 112.2 | T10 | P8-T10 PolarHBondContact O-N 3.37Š|
| 9 | A | 56.3 | Low | 56.9 | Low | 101 Ų | 101 | 141.2 Ų | 141.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 118.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R11 | A9-R11 PolarHBondContact O-N 3.19Š|
| 10 | T | 60.1 | Low | 56.6 | Low | 141 Ų | 141 | 136.9 Ų | 136.9 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -68.3 | 112 | 168.5 | 24.7 | 0 | 0 | 0 | 0 | 109.7 | P8 S12 | P8-T10 PolarHBondContact O-N 3.37Å; T10-S12 PolarHBondContact O-N 3.07Å | ||
| 11 | R | 60.1 | Low | 56.3 | Low | 249 Ų | 249 | 133.1 Ų | 133.1 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | trans | -63.4 | 111.4 | 175.3 | -177.5 | 170.4 | 127.8 | -169.2 | -1.6 | 109.9 | A9 G13 | A9-R11 PolarHBondContact O-N 3.19Å; R11-G13 PolarHBondContact O-N 3.32Å | ||
| 12 | S | 55.2 | Low | 55.7 | Low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -53.4 | 110.8 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | T10 G14 | T10-S12 PolarHBondContact O-N 3.07Å; S12-G14 PolarHBondContact O-N 3.49Å | ||
| 13 | G | 47 | Very low | 55.1 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | -81.4 | 90.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R11 | R11-G13 PolarHBondContact O-N 3.32Š| ||
| 14 | G | 44.6 | Very low | 54.4 | Low | 78 Ų | 78 | 121.2 Ų | 121.2 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -104.1 | 33.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S12 | S12-G14 PolarHBondContact O-N 3.49Š| ||
| 15 | G | 49.8 | Very low | 53 | Low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -109.3 | -21.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 16 | E | 52.1 | Low | 52.1 | Low | 181 Ų | 181 | 125.9 Ų | 125.9 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -107.4 | -11.7 | -165.3 | -72.2 | 171.3 | 114.1 | 0 | 0 | 114.4 | R18 | E16-R18 PolarHBondContact O-N 3.24Š|
| 17 | E | 49.6 | Very low | 50.8 | Low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -78.9 | -19.4 | -176.2 | -156.7 | 173.1 | 143.4 | 0 | 0 | 113.6 | ||
| 18 | R | 52.6 | Low | 49.4 | Very low | 222 Ų | 222 | 130 Ų | 130 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -76.8 | -25.7 | 177.6 | -77.8 | -170.3 | 172.6 | -164 | -1.2 | 113.9 | E16 | E16-R18 PolarHBondContact O-N 3.24Å |
| 19 | A | 51.5 | Low | 48.9 | Very low | 65 Ų | 65 | 130 Ų | 130 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -78.7 | -26.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 20 | A | 50.9 | Low | 48.8 | Very low | 55 Ų | 55 | 128.7 Ų | 128.7 | 46% | 0.455 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -76.4 | -25.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H24 | A20-H24 PolarHBondContact O-N 3.45Å; A20-H24 PolarHBondContact O-ND1 3.34Å |
| 21 | A | 50 | Low | 49.2 | Very low | 57 Ų | 57 | 128.6 Ų | 128.6 | 47% | 0.471 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -73.9 | -27.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 22 | E | 46.8 | Very low | 50 | Low | 144 Ų | 144 | 118.4 Ų | 118.4 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.7 | -30.6 | 177.5 | -65.3 | -173.3 | 152.1 | 0 | 0 | 112.1 | ||
| 23 | H | 42.6 | Very low | 51.6 | Low | 126 Ų | 126 | 119.6 Ų | 119.6 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.2 | -26.4 | 176 | -98.7 | -93.1 | 0 | 0 | 0 | 113.7 | ||
| 24 | H | 39.9 | Very low | 53.7 | Low | 127 Ų | 127 | 121 Ų | 121 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.5 | -19.1 | 178.7 | -92.7 | 82.8 | 0 | 0 | 0 | 114.6 | A20 | A20-H24 PolarHBondContact O-N 3.45Å; A20-H24 PolarHBondContact O-ND1 3.34Å |
| 25 | Q | 40.1 | Very low | 56.1 | Low | 165 Ų | 165 | 120.7 Ų | 120.7 | 77% | 0.771 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -78.5 | -19.7 | 173.9 | -79.7 | -178.8 | 35.4 | 0 | 0 | 113.2 | ||
| 26 | Q | 43.9 | Very low | 58.3 | Low | 141 Ų | 141 | 122.8 Ų | 122.8 | 66% | 0.659 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -81.8 | -18.4 | -178.3 | -68.6 | 179.7 | 17.2 | 0 | 0 | 113.6 | ||
| 27 | Q | 41.4 | Very low | 60.5 | Low | 163 Ų | 163 | 114.6 Ų | 114.6 | 76% | 0.762 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -97 | -8.7 | -179.4 | -70.8 | 178.8 | 15 | 0 | 0 | 114.2 | Q29 | Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 2.71Å |
| 28 | Q | 41 | Very low | 62.8 | Low | 157 Ų | 157 | 106.4 Ų | 106.4 | 73% | 0.734 | 54% | 0.54 | S | S | * | . | trans | -90.6 | 24.8 | 174.2 | -68.4 | -176.9 | 32.4 | 0 | 0 | 113.5 | A30 | Q28-A30 PolarHBondContact O-N 2.76Š| ||
| 29 | Q | 50.3 | Low | 64.9 | Low | 121 Ų | 121 | 98.5 Ų | 98.5 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | trans | -68.5 | 75.9 | 154.5 | -80.7 | -177 | 9.8 | 0 | 0 | 107.4 | Q27 T31 | Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 2.71Å; Q29-T31 PolarHBondContact O-N 2.73Å | ||
| 30 | A | 55.6 | Low | 67.1 | Low | 74 Ų | 74 | 96.9 Ų | 96.9 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | trans | -39.3 | 131.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q28 V32 | Q28-A30 PolarHBondContact O-N 2.76Å; A30-V32 WeakPolarHBondContact O-CG2 3.48Å; A30-V32 PolarHBondContact O-N 3.27Å | ||
| 31 | T | 67.9 | Low | 69.3 | Low | 138 Ų | 138 | 97.9 Ų | 97.9 | 85% | 0.847 | 50% | 0.496 | S | S | * | . | trans | -60 | 76.9 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 108.8 | Q29 E33 | Q29-T31 PolarHBondContact O-N 2.73Å; T31-E33 PolarHBondContact O-N 2.83Å; T31-E33 VanDerWaalsContact O-N 3.15Å | ||
| 32 | V | 77 | Confident | 71.6 | Confident | 35 Ų | 35 | 95.3 Ų | 95.3 | 21% | 0.212 | 47% | 0.474 | C | S | . | . | trans | -66.1 | 117 | 176.4 | 168.6 | 0 | 0 | 0 | 0 | 105.2 | A30 K34 A131 F136 | A30-V32 WeakPolarHBondContact O-CG2 3.48Å; A30-V32 PolarHBondContact O-N 3.27Å; V32-K34 HydrophobicContact CG1-CG 4.42Å; V32-K34 WeakPolarHBondContact O-CG 3.43Å; V32-K34 PolarHBondContact O-N 3.33Å; V32-A131 HydrophobicContact CB-CB 4.49Å; V32-A131 HydrophobicContact CG1-CB 3.3Å; V32-A131 HydrophobicContact CG2-CB 4.44Å; V32-F136 HydrophobicContact CG1-CE2 4.02Å; V32-F136 HydrophobicContact CG1-CZ 3.8Å | ||
| 33 | E | 88.4 | Confident | 74 | Confident | 140 Ų | 140 | 90.6 Ų | 90.6 | 65% | 0.654 | 46% | 0.455 | S | S | * | . | trans | -63 | 126.8 | 171.3 | -66.2 | -171.9 | 165.5 | 0 | 0 | 108.5 | T31 V127 | T31-E33 PolarHBondContact O-N 2.83Å; T31-E33 VanDerWaalsContact O-N 3.15Å; E33-V127 HydrophobicContact CB-CB 4.06Å; E33-V127 PolarHBondContact O-N 3.02Å | ||
| 34 | K | 92.2 | Very high | 76.7 | Confident | 110 Ų | 110 | 89.3 Ų | 89.3 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.5 | -178 | -59.6 | 176.9 | -172.8 | 177.2 | 0 | 108.5 | V32 R125 F136 | V32-K34 HydrophobicContact CG1-CG 4.42Å; V32-K34 WeakPolarHBondContact O-CG 3.43Å; V32-K34 PolarHBondContact O-N 3.33Å; K34-R125 CarbonylContact C-O 3.6Å; K34-R125 WeakPolarHBondContact CA-O 3.36Å; K34-F136 HydrophobicContact CB-CD2 4.37Å; K34-F136 HydrophobicContact CD-CB 4.16Å; K34-F136 HydrophobicContact CD-CD1 3.96Å; K34-F136 HydrophobicContact CD-CD2 3.82Å; K34-F136 HydrophobicContact CD-CE1 4.33Å; K34-F136 HydrophobicContact CD-CE2 4.2Å; K34-F136 HydrophobicContact CD-CG 3.69Å; K34-F136 HydrophobicContact CD-CZ 4.44Å; K34-F136 VanDerWaalsContact CE-CD1 3.5Å; K34-F136 HydrophobicContact CG-CD2 3.71Å; K34-F136 HydrophobicContact CG-CE2 3.82Å; K34-F136 HydrophobicContact CG-CG 4.13Å; K34-F136 HydrophobicContact CG-CZ 4.33Å |
| 35 | E | 94.6 | Very high | 79.4 | Confident | 72 Ų | 72 | 85.9 Ų | 85.9 | 34% | 0.336 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126 | 169.4 | -179 | -176.5 | 163.3 | 0 | 0 | 108.9 | G124 R125 V127 | E35-G124 CarbonylContact O-C 3.55Å; E35-G124 WeakPolarHBondContact O-CA 3.46Å; E35-R125 HydrophobicContact CB-CG 4.04Å; E35-R125 VanDerWaalsContact CD-NE 3.31Å; E35-R125 PolarHBondContact N-O 2.76Å; E35-R125 PolarHBondContact O-N 2.95Å; E35-R125 IonicContact OE1-CZ 3.45Å; E35-R125 IonicContact OE1-NE 3.56Å; E35-R125 IonicContact OE1-NH2 2.76Å; E35-R125 PolarHBondContact OE1-NH2 2.85Å; E35-R125 IonicContact OE2-CZ 3.12Å; E35-R125 IonicContact OE2-NE 2.73Å; E35-R125 PolarHBondContact OE2-NE 2.86Å; E35-R125 IonicContact OE2-NH2 2.71Å; E35-R125 PolarHBondContact OE2-NH2 3.41Å; E35-V127 HydrophobicContact CB-CG2 3.42Å; E35-V127 VanDerWaalsContact CB-CG2 3.42Å |
| 36 | H | 96.2 | Very high | 82.1 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.1 | 172.7 | 179.1 | -95.1 | 0 | 0 | 0 | 110.5 | D39 | H36-D39 IonicContact CD2-OD1 3.61Å; H36-D39 IonicContact CE1-OD1 2.76Å; H36-D39 IonicContact NE2-OD1 2.96Å; H36-D39 PolarHBondContact NE2-OD1 2.85Å |
| 37 | M | 96.8 | Very high | 84.7 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 5% | 0.049 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -60.5 | 178.5 | -62 | 163.7 | 69.1 | 0 | 0 | 110.4 | Y63 F64 F123 R125 L135 | M37-Y63 HydrophobicContact CB-CD1 3.89Å; M37-Y63 HydrophobicContact CB-CD2 4.14Å; M37-Y63 HydrophobicContact CB-CE1 3.84Å; M37-Y63 HydrophobicContact CB-CE2 4.11Å; M37-Y63 HydrophobicContact CB-CG 4.06Å; M37-Y63 HydrophobicContact CE-CD1 3.6Å; M37-Y63 HydrophobicContact CE-CG 3.59Å; M37-Y63 HydrophobicContact CG-CD1 3.93Å; M37-Y63 HydrophobicContact CG-CE1 4.02Å; M37-Y63 HydrophobicContact CG-CG 4.45Å; M37-Y63 WeakPolarHBondContact O-CE2 3.31Å; M37-Y63 PolarHBondContact O-OH 3.08Å; M37-F64 HydrophobicContact CE-CE1 3.79Å; M37-F64 HydrophobicContact CE-CE2 4.36Å; M37-F64 HydrophobicContact CE-CZ 3.66Å; M37-F123 WeakPolarHBondContact CB-O 3.37Å; M37-F123 PolarHBondContact N-O 3.13Å; M37-R125 HydrophobicContact CG-CB 4.43Å; M37-R125 HydrophobicContact CG-CG 4.21Å; M37-R125 HydrophobicContact SD-CB 3.75Å; M37-R125 HydrophobicContact SD-CG 4.14Å; M37-L135 HydrophobicContact SD-CD2 4.45Å |
| 38 | F | 97.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.018 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 160.7 | 177.6 | 63.9 | -82.9 | 0 | 0 | 0 | 112.2 | K40 I55 H59 Y63 F64 F123 | F38-K40 HydrophobicContact CE2-CB 4.45Å; F38-I55 HydrophobicContact CE2-CG2 4.41Å; F38-I55 HydrophobicContact CZ-CD1 4.42Å; F38-I55 HydrophobicContact CZ-CG2 4.14Å; F38-H59 HydrophobicContact CB-CB 4.25Å; F38-H59 HydrophobicContact CD1-CB 3.84Å; F38-H59 HydrophobicContact CD2-CB 4.03Å; F38-H59 AromaticContact CD2-CD2 3.76Å; F38-H59 AromaticContact CD2-CG 3.9Å; F38-H59 HydrophobicContact CE1-CB 4.17Å; F38-H59 HydrophobicContact CE2-CB 4.34Å; F38-H59 HydrophobicContact CG-CB 3.77Å; F38-H59 AromaticContact CG-CD2 3.9Å; F38-H59 AromaticContact CG-CG 3.64Å; F38-H59 HydrophobicContact CZ-CB 4.41Å; F38-Y63 HydrophobicContact CB-CE2 4.37Å; F38-Y63 AromaticContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CE2 4.09Å; F38-Y63 HydrophobicContact CD1-CG 4.47Å; F38-Y63 HydrophobicContact CE1-CD2 4.29Å; F38-F64 HydrophobicContact CE1-CD2 4.48Å; F38-F64 AromaticContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CZ 4.33Å; F38-F64 AromaticContact CZ-CE2 3.96Å; F38-F64 HydrophobicContact CZ-CE2 3.96Å; F38-F123 HydrophobicContact CD1-CB 4.2Å; F38-F123 AromaticContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CE1-CB 3.8Å; F38-F123 HydrophobicContact CE1-CD2 4.07Å; F38-F123 HydrophobicContact CE1-CG 4.05Å; F38-F123 HydrophobicContact CE2-CB 4.47Å; F38-F123 AromaticContact CE2-CD2 3.28Å; F38-F123 HydrophobicContact CE2-CD2 3.28Å; F38-F123 AromaticContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CG 4.09Å; F38-F123 HydrophobicContact CZ-CB 3.95Å; F38-F123 AromaticContact CZ-CD2 3.33Å; F38-F123 HydrophobicContact CZ-CD2 3.33Å; F38-F123 AromaticContact CZ-CE2 3.91Å; F38-F123 HydrophobicContact CZ-CE2 3.91Å; F38-F123 AromaticContact CZ-CG 3.67Å; F38-F123 HydrophobicContact CZ-CG 3.67Å; F38-F123 PolarHBondContact N-O 3.41Å; F38-F123 PolarHBondContact O-N 3.18Å |
| 39 | D | 97.8 | Very high | 89.7 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 144.5 | 170.5 | -78.1 | -6.4 | 0 | 0 | 0 | 110.4 | H36 T120 S122 R140 | H36-D39 IonicContact CD2-OD1 3.61Å; H36-D39 IonicContact CE1-OD1 2.76Å; H36-D39 IonicContact NE2-OD1 2.96Å; H36-D39 PolarHBondContact NE2-OD1 2.85Å; D39-T120 HydrophobicContact CB-CG2 3.81Å; D39-S122 VanDerWaalsContact OD1-CB 3.25Å; D39-S122 WeakPolarHBondContact OD1-CB 3.33Å; D39-S122 PolarHBondContact OD1-OG 2.98Å; D39-R140 IonicContact OD1-NH1 2.72Å; D39-R140 IonicContact OD2-CZ 3.66Å; D39-R140 VanDerWaalsContact OD2-CZ 3.25Å; D39-R140 IonicContact OD2-NH1 3.88Å; D39-R140 PolarHBondContact OD2-NH1 3.24Å; D39-R140 IonicContact OD2-NH2 3.78Å; D39-R140 PolarHBondContact OD2-NH2 3.41Å |
| 40 | K | 97.6 | Very high | 91.8 | Very high | 31 Ų | 31 | 68 Ų | 68 | 14% | 0.135 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 118.3 | 175.4 | 173.6 | 62.9 | 179.2 | -156.9 | 0 | 110 | F38 V42 L53 V54 P56 T120 V121 | F38-K40 HydrophobicContact CE2-CB 4.45Å; K40-V42 PolarHBondContact O-N 3.07Å; K40-L53 HydrophobicContact CG-CD1 4.2Å; K40-V54 VanDerWaalsContact CE-O 3.31Å; K40-V54 WeakPolarHBondContact CE-O 3.34Å; K40-V54 PolarHBondContact NZ-O 3.22Å; K40-V54 VanDerWaalsContact NZ-O 3.11Å; K40-P56 HydrophobicContact CD-CG 3.94Å; K40-T120 WeakPolarHBondContact O-CA 2.78Å; K40-V121 PolarHBondContact N-O 2.87Å; K40-V121 PolarHBondContact O-N 2.84Å |
| 41 | V | 97.8 | Very high | 93.7 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 124 | 165.5 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | T43 D119 | V41-T43 PolarHBondContact O-N 3.47Å; V41-D119 WeakPolarHBondContact CA-O 3.38Å |
| 42 | V | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 125.1 | -178.4 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | K40 D46 V47 G118 D119 V121 | K40-V42 PolarHBondContact O-N 3.07Å; V42-D46 HydrophobicContact CG1-CB 3.91Å; V42-V47 HydrophobicContact CG1-CB 4.42Å; V42-V47 HydrophobicContact CG1-CG1 3.33Å; V42-V47 HydrophobicContact CG1-CG2 4.44Å; V42-G118 PolarHBondContact O-N 3.3Å; V42-D119 WeakPolarHBondContact CB-O 3.42Å; V42-D119 WeakPolarHBondContact CG2-O 3.28Å; V42-D119 PolarHBondContact N-O 3.22Å; V42-V121 HydrophobicContact CG2-CG2 3.64Å |
| 43 | T | 97.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -91 | 161.7 | 177.4 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | V41 S45 D46 V47 | V41-T43 PolarHBondContact O-N 3.47Å; T43-S45 PolarHBondContact O-N 3.39Å; T43-S45 VanDerWaalsContact O-N 3.15Å; T43-S45 PolarHBondContact OG1-OG 2.68Å; T43-D46 WeakPolarHBondContact CB-OD2 3.37Å; T43-D46 PolarHBondContact N-OD2 3.31Å; T43-D46 WeakPolarHBondContact O-CB 3.45Å; T43-D46 PolarHBondContact O-N 3.4Å; T43-D46 PolarHBondContact OG1-N 3.4Å; T43-D46 PolarHBondContact OG1-OD2 2.99Å; T43-V47 PolarHBondContact O-N 3.46Å |
| 44 | P | 97.9 | Very high | 96.6 | Very high | 100 Ų | 100 | 57.4 Ų | 57.4 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -54.6 | -32.3 | 173.7 | -27.4 | 35.6 | 0 | 0 | 0 | 113.9 | D46 G48 A117 | P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.47Å; P44-G48 WeakPolarHBondContact O-CA 3.14Å; P44-G48 PolarHBondContact O-N 3.07Å; P44-A117 HydrophobicContact CB-CB 4.44Å; P44-A117 HydrophobicContact CG-CB 3.98Å |
| 45 | S | 96.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 38% | 0.378 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.1 | -27.1 | 174.8 | 39.4 | 0 | 0 | 0 | 0 | 113.8 | T43 | T43-S45 PolarHBondContact O-N 3.39Å; T43-S45 VanDerWaalsContact O-N 3.15Å; T43-S45 PolarHBondContact OG1-OG 2.68Å |
| 46 | D | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.011 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.1 | -39.8 | -178 | -61.8 | -46.3 | 0 | 0 | 0 | 111.3 | V42 T43 P44 R52 L53 V54 W106 | V42-D46 HydrophobicContact CG1-CB 3.91Å; T43-D46 WeakPolarHBondContact CB-OD2 3.37Å; T43-D46 PolarHBondContact N-OD2 3.31Å; T43-D46 WeakPolarHBondContact O-CB 3.45Å; T43-D46 PolarHBondContact O-N 3.4Å; T43-D46 PolarHBondContact OG1-N 3.4Å; T43-D46 PolarHBondContact OG1-OD2 2.99Å; P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.47Å; D46-R52 WeakPolarHBondContact CA-O 3.11Å; D46-L53 HydrophobicContact CB-CD1 3.98Å; D46-L53 WeakPolarHBondContact OD1-CA 3.4Å; D46-V54 PolarHBondContact OD1-N 3.09Å; D46-W106 HydrophobicContact CB-CZ2 4.06Å; D46-W106 PolarHBondContact O-NE1 2.71Å |
| 47 | V | 97.3 | Very high | 97 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -92.3 | -7.6 | 177.1 | -69 | 0 | 0 | 0 | 0 | 113.6 | V42 T43 V110 L115 A117 | V42-V47 HydrophobicContact CG1-CB 4.42Å; V42-V47 HydrophobicContact CG1-CG1 3.33Å; V42-V47 HydrophobicContact CG1-CG2 4.44Å; T43-V47 PolarHBondContact O-N 3.46Å; V47-V110 HydrophobicContact CB-CG1 4.13Å; V47-V110 HydrophobicContact CG1-CG1 3.83Å; V47-V110 HydrophobicContact CG1-CG2 4.23Å; V47-L115 HydrophobicContact CG1-CB 4.21Å; V47-L115 WeakPolarHBondContact CG1-O 3.44Å; V47-A117 HydrophobicContact CG2-CB 4.14Å |
| 48 | G | 93.8 | Very high | 97 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -79.4 | -161.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P44 L50 | P44-G48 WeakPolarHBondContact O-CA 3.14Å; P44-G48 PolarHBondContact O-N 3.07Å; G48-L50 PolarHBondContact O-N 3.02Å; G48-L50 VanDerWaalsContact O-N 3.17Å |
| 49 | K | 94.3 | Very high | 97 | Very high | 207 Ų | 207 | 59.2 Ų | 59.2 | 90% | 0.9 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -8.1 | -174.6 | -61.6 | -179.4 | -179 | 178.8 | 0 | 114.5 | N51 | K49-N51 VanDerWaalsContact C-N 3.28Å; K49-N51 PolarHBondContact O-N 3.4Å; K49-N51 PolarHBondContact O-ND2 3.4Å |
| 50 | L | 94.2 | Very high | 96.9 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.3 | -178.3 | -66.8 | 169 | 0 | 0 | 0 | 113.1 | G48 R52 | G48-L50 PolarHBondContact O-N 3.02Å; G48-L50 VanDerWaalsContact O-N 3.17Å; L50-R52 HydrophobicContact CB-CG 3.92Å; L50-R52 PolarHBondContact O-N 2.93Å; L50-R52 VanDerWaalsContact O-N 3.07Å |
| 51 | N | 96.2 | Very high | 96.7 | Very high | 88 Ų | 88 | 60 Ų | 60 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | trans | 51.9 | 31.7 | 178 | -62 | -50.4 | 0 | 0 | 0 | 114 | K49 | K49-N51 VanDerWaalsContact C-N 3.28Å; K49-N51 PolarHBondContact O-N 3.4Å; K49-N51 PolarHBondContact O-ND2 3.4Å | ||
| 52 | R | 97.8 | Very high | 96.6 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | trans | -138.2 | 142.8 | -177.7 | 71.6 | -169.5 | -176.3 | 164.8 | 0.8 | 110.1 | D46 L50 V101 M102 T103 W106 | D46-R52 WeakPolarHBondContact CA-O 3.11Å; L50-R52 HydrophobicContact CB-CG 3.92Å; L50-R52 PolarHBondContact O-N 2.93Å; L50-R52 VanDerWaalsContact O-N 3.07Å; R52-V101 HydrophobicContact CB-CB 4.43Å; R52-M102 WeakPolarHBondContact CA-O 3.28Å; R52-T103 HydrophobicContact CB-CG2 3.98Å; R52-W106 VanDerWaalsContact C-CD1 3.44Å | ||
| 53 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.4 | 168.3 | 173.2 | 65.7 | 0 | 0 | 0 | 108.9 | K40 D46 I55 V101 M102 W106 F123 | K40-L53 HydrophobicContact CG-CD1 4.2Å; D46-L53 HydrophobicContact CB-CD1 3.98Å; D46-L53 WeakPolarHBondContact OD1-CA 3.4Å; L53-I55 HydrophobicContact CD2-CD1 3.72Å; L53-I55 HydrophobicContact CG-CD1 3.9Å; L53-V101 CarbonylContact O-C 3.58Å; L53-V101 WeakPolarHBondContact O-CA 3.32Å; L53-M102 HydrophobicContact CB-CB 4.29Å; L53-M102 PolarHBondContact N-O 2.94Å; L53-M102 PolarHBondContact O-N 3.17Å; L53-W106 HydrophobicContact CB-CD2 3.68Å; L53-W106 HydrophobicContact CB-CE3 4.09Å; L53-W106 HydrophobicContact CB-CG 4.03Å; L53-W106 HydrophobicContact CB-CH2 4.43Å; L53-W106 HydrophobicContact CB-CZ2 4.06Å; L53-W106 HydrophobicContact CB-CZ3 4.44Å; L53-W106 HydrophobicContact CD1-CH2 4.03Å; L53-W106 HydrophobicContact CD1-CZ2 3.99Å; L53-W106 HydrophobicContact CD2-CE3 4.08Å; L53-W106 HydrophobicContact CD2-CH2 4.25Å; L53-W106 HydrophobicContact CD2-CZ3 3.93Å; L53-W106 HydrophobicContact CG-CH2 4.48Å; L53-W106 HydrophobicContact CG-CZ2 4.46Å; L53-F123 HydrophobicContact CD2-CE2 4.14Å; L53-F123 HydrophobicContact CD2-CZ 3.64Å |
| 54 | V | 98.1 | Very high | 96 | Very high | 33 Ų | 33 | 65.1 Ų | 65.1 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.6 | 174.4 | -179 | 0 | 0 | 0 | 0 | 110.7 | K40 D46 V101 | K40-V54 VanDerWaalsContact CE-O 3.31Å; K40-V54 WeakPolarHBondContact CE-O 3.34Å; K40-V54 PolarHBondContact NZ-O 3.22Å; K40-V54 VanDerWaalsContact NZ-O 3.11Å; D46-V54 PolarHBondContact OD1-N 3.09Å; V54-V101 HydrophobicContact CG2-CG1 4.32Å |
| 55 | I | 98 | Very high | 95.4 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122.5 | 176.5 | -52 | -57.2 | 0 | 0 | 0 | 108.8 | F38 L53 K57 H59 A60 Y91 Y100 M102 | F38-I55 HydrophobicContact CE2-CG2 4.41Å; F38-I55 HydrophobicContact CZ-CD1 4.42Å; F38-I55 HydrophobicContact CZ-CG2 4.14Å; L53-I55 HydrophobicContact CD2-CD1 3.72Å; L53-I55 HydrophobicContact CG-CD1 3.9Å; I55-K57 PolarHBondContact O-N 3.46Å; I55-H59 HydrophobicContact CG2-CB 4.42Å; I55-A60 HydrophobicContact CG2-CB 3.98Å; I55-Y91 HydrophobicContact CB-CE2 4.41Å; I55-Y91 HydrophobicContact CG1-CD2 4.45Å; I55-Y91 HydrophobicContact CG1-CE2 4.08Å; I55-Y100 PolarHBondContact N-O 3.26Å; I55-M102 HydrophobicContact CD1-CE 3.91Å; I55-M102 HydrophobicContact CD1-CG 4.08Å; I55-M102 HydrophobicContact CD1-SD 4.11Å; I55-M102 HydrophobicContact CG1-CE 4.19Å; I55-M102 HydrophobicContact CG1-CG 4.08Å |
| 56 | P | 97.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 135.5 | 176.1 | -24.7 | 34.9 | 0 | 0 | 0 | 111.3 | K40 Q58 H59 A60 | K40-P56 HydrophobicContact CD-CG 3.94Å; P56-Q58 VanDerWaalsContact C-N 3.28Å; P56-Q58 HydrophobicContact CB-CG 4.33Å; P56-Q58 PolarHBondContact O-N 2.89Å; P56-H59 PolarHBondContact O-N 2.8Å; P56-A60 PolarHBondContact O-N 2.82Å |
| 57 | K | 95.9 | Very high | 94.1 | Very high | 136 Ų | 136 | 69.3 Ų | 69.3 | 59% | 0.591 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -48.8 | -47.4 | -175.2 | -178.7 | 176.8 | 179.9 | -175.9 | 0 | 113 | I55 H59 A60 E61 Y100 | I55-K57 PolarHBondContact O-N 3.46Å; K57-H59 PolarHBondContact O-N 3.24Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 2.9Å; K57-E61 VanDerWaalsContact CE-CD 3.47Å; K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 HydrophobicContact CG-CG 4.33Å; K57-E61 IonicContact NZ-OE1 2.8Å; K57-E61 PolarHBondContact O-N 2.88Å; K57-Y100 HydrophobicContact CG-CE2 4.21Å |
| 58 | Q | 96.8 | Very high | 93 | Very high | 133 Ų | 133 | 71.9 Ų | 71.9 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -55.9 | -33.7 | 178.8 | 65.7 | -177.3 | -4.3 | 0 | 0 | 113.9 | P56 R62 | P56-Q58 VanDerWaalsContact C-N 3.28Å; P56-Q58 HydrophobicContact CB-CG 4.33Å; P56-Q58 PolarHBondContact O-N 2.89Å; Q58-R62 WeakPolarHBondContact O-CB 3.11Å |
| 59 | H | 96.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 74.6 Ų | 74.6 | 17% | 0.171 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -86.7 | -38.8 | 179.4 | -59.8 | -43.9 | 0 | 0 | 0 | 111.1 | F38 I55 P56 K57 R62 Y63 | F38-H59 HydrophobicContact CB-CB 4.25Å; F38-H59 HydrophobicContact CD1-CB 3.84Å; F38-H59 HydrophobicContact CD2-CB 4.03Å; F38-H59 AromaticContact CD2-CD2 3.76Å; F38-H59 AromaticContact CD2-CG 3.9Å; F38-H59 HydrophobicContact CE1-CB 4.17Å; F38-H59 HydrophobicContact CE2-CB 4.34Å; F38-H59 HydrophobicContact CG-CB 3.77Å; F38-H59 AromaticContact CG-CD2 3.9Å; F38-H59 AromaticContact CG-CG 3.64Å; F38-H59 HydrophobicContact CZ-CB 4.41Å; I55-H59 HydrophobicContact CG2-CB 4.42Å; P56-H59 PolarHBondContact O-N 2.8Å; K57-H59 PolarHBondContact O-N 3.24Å; H59-R62 PolarHBondContact O-N 2.8Å; H59-Y63 HydrophobicContact CB-CD2 4.26Å; H59-Y63 WeakPolarHBondContact O-CB 3.44Å; H59-Y63 WeakPolarHBondContact O-CD2 3.45Å; H59-Y63 PolarHBondContact O-N 3.15Å |
| 60 | A | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.6 | -53.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I55 P56 K57 R62 F64 Y91 Y100 | I55-A60 HydrophobicContact CG2-CB 3.98Å; P56-A60 PolarHBondContact O-N 2.82Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 2.9Å; A60-R62 VanDerWaalsContact C-N 3.32Å; A60-R62 PolarHBondContact O-N 3.34Å; A60-F64 CarbonylContact O-C 3.59Å; A60-F64 WeakPolarHBondContact O-CA 3.32Å; A60-F64 PolarHBondContact O-N 3.17Å; A60-Y91 WeakPolarHBondContact CA-OH 3.43Å; A60-Y91 WeakPolarHBondContact CB-OH 3.35Å; A60-Y100 HydrophobicContact CB-CD1 3.85Å; A60-Y100 HydrophobicContact CB-CD2 3.43Å; A60-Y100 VanDerWaalsContact CB-CD2 3.43Å; A60-Y100 HydrophobicContact CB-CE1 4.25Å; A60-Y100 HydrophobicContact CB-CE2 3.9Å; A60-Y100 HydrophobicContact CB-CG 3.4Å; A60-Y100 VanDerWaalsContact CB-CG 3.4Å |
| 61 | E | 93.9 | Very high | 90 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.4 | -30.9 | -176.7 | -67.7 | 177.2 | 163.8 | 0 | 0 | 112.8 | K57 Y100 | K57-E61 VanDerWaalsContact CE-CD 3.47Å; K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 HydrophobicContact CG-CG 4.33Å; K57-E61 IonicContact NZ-OE1 2.8Å; K57-E61 PolarHBondContact O-N 2.88Å; E61-Y100 HydrophobicContact CG-CE2 4.47Å |
| 62 | R | 94.7 | Very high | 89 | Confident | 186 Ų | 186 | 67 Ų | 67 | 70% | 0.702 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -77.5 | -37.7 | -179.7 | -173.5 | 174 | -173.9 | -166.3 | 2.9 | 113.3 | Q58 H59 A60 | Q58-R62 WeakPolarHBondContact O-CB 3.11Å; H59-R62 PolarHBondContact O-N 2.8Å; A60-R62 VanDerWaalsContact C-N 3.32Å; A60-R62 PolarHBondContact O-N 3.34Å |
| 63 | Y | 93 | Very high | 88.3 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 15% | 0.145 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -116.3 | -26.3 | -165.1 | -69.9 | -59.3 | 0 | 0 | 0 | 114.6 | M37 F38 H59 | M37-Y63 HydrophobicContact CB-CD1 3.89Å; M37-Y63 HydrophobicContact CB-CD2 4.14Å; M37-Y63 HydrophobicContact CB-CE1 3.84Å; M37-Y63 HydrophobicContact CB-CE2 4.11Å; M37-Y63 HydrophobicContact CB-CG 4.06Å; M37-Y63 HydrophobicContact CE-CD1 3.6Å; M37-Y63 HydrophobicContact CE-CG 3.59Å; M37-Y63 HydrophobicContact CG-CD1 3.93Å; M37-Y63 HydrophobicContact CG-CE1 4.02Å; M37-Y63 HydrophobicContact CG-CG 4.45Å; M37-Y63 WeakPolarHBondContact O-CE2 3.31Å; M37-Y63 PolarHBondContact O-OH 3.08Å; F38-Y63 HydrophobicContact CB-CE2 4.37Å; F38-Y63 AromaticContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CD2 3.68Å; F38-Y63 HydrophobicContact CD1-CE2 4.09Å; F38-Y63 HydrophobicContact CD1-CG 4.47Å; F38-Y63 HydrophobicContact CE1-CD2 4.29Å; H59-Y63 HydrophobicContact CB-CD2 4.26Å; H59-Y63 WeakPolarHBondContact O-CB 3.44Å; H59-Y63 WeakPolarHBondContact O-CD2 3.45Å; H59-Y63 PolarHBondContact O-N 3.15Å |
| 64 | F | 90 | Very high | 87.8 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 4% | 0.039 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -134.2 | 69.2 | -178.6 | -53.4 | -61.7 | 0 | 0 | 0 | 109.5 | M37 F38 A60 L66 L77 F79 Y91 M102 L135 | M37-F64 HydrophobicContact CE-CE1 3.79Å; M37-F64 HydrophobicContact CE-CE2 4.36Å; M37-F64 HydrophobicContact CE-CZ 3.66Å; F38-F64 HydrophobicContact CE1-CD2 4.48Å; F38-F64 AromaticContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CE2 3.64Å; F38-F64 HydrophobicContact CE1-CZ 4.33Å; F38-F64 AromaticContact CZ-CE2 3.96Å; F38-F64 HydrophobicContact CZ-CE2 3.96Å; A60-F64 CarbonylContact O-C 3.59Å; A60-F64 WeakPolarHBondContact O-CA 3.32Å; A60-F64 PolarHBondContact O-N 3.17Å; F64-L66 PolarHBondContact O-N 3.07Å; F64-L77 HydrophobicContact CD1-CD1 3.8Å; F64-L77 HydrophobicContact CE1-CD1 3.88Å; F64-L77 HydrophobicContact CG-CD1 4.25Å; F64-L77 HydrophobicContact CZ-CD1 4.38Å; F64-F79 HydrophobicContact CE1-CZ 4.07Å; F64-F79 HydrophobicContact CZ-CE1 4.08Å; F64-F79 AromaticContact CZ-CZ 3.7Å; F64-F79 HydrophobicContact CZ-CZ 3.7Å; F64-Y91 HydrophobicContact CB-CD1 4.02Å; F64-Y91 HydrophobicContact CB-CE1 3.36Å; F64-Y91 HydrophobicContact CB-CE2 4.5Å; F64-Y91 HydrophobicContact CG-CE1 4.34Å; F64-Y91 VanDerWaalsContact O-CE1 3.28Å; F64-Y91 WeakPolarHBondContact O-CE1 3.49Å; F64-Y91 PolarHBondContact O-OH 3.36Å; F64-M102 HydrophobicContact CD2-CE 4.22Å; F64-M102 HydrophobicContact CE2-CE 3.72Å; F64-M102 HydrophobicContact CZ-CE 4.16Å; F64-L135 HydrophobicContact CE1-CD1 4.19Å; F64-L135 HydrophobicContact CE1-CD2 4.44Å |
| 65 | P | 86.6 | Confident | 87.6 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 58% | 0.584 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -58 | 129.3 | 175.4 | 25.3 | -33.1 | 0 | 0 | 0 | 109.5 | ||
| 66 | L | 86.6 | Confident | 87.4 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 18% | 0.183 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 116.9 | 172.7 | -73 | -179.4 | 0 | 0 | 0 | 108.3 | F64 L75 Y91 Y100 | F64-L66 PolarHBondContact O-N 3.07Å; L66-L75 HydrophobicContact CD2-CB 4.22Å; L66-Y91 HydrophobicContact CD1-CD1 4.23Å; L66-Y91 HydrophobicContact CD1-CE1 3.77Å; L66-Y91 HydrophobicContact CD2-CD1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CD1 3.48Å; L66-Y91 HydrophobicContact CD2-CE1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CE1 3.48Å; L66-Y91 HydrophobicContact CG-CD1 3.98Å; L66-Y91 HydrophobicContact CG-CE1 3.44Å; L66-Y91 VanDerWaalsContact CG-CE1 3.44Å; L66-Y100 HydrophobicContact CD1-CD1 3.76Å; L66-Y100 HydrophobicContact CD1-CE1 3.79Å; L66-Y100 HydrophobicContact CG-CE1 4.34Å |
| 67 | D | 80.4 | Confident | 87.3 | Confident | 118 Ų | 118 | 77.5 Ų | 77.5 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 144.1 | 167.5 | -59.5 | -32.8 | 0 | 0 | 0 | 109.2 | A69 A70 N71 | D67-A69 PolarHBondContact O-N 2.74Å; D67-A69 VanDerWaalsContact O-N 3.13Å; D67-A70 HydrophobicContact CB-CB 4.17Å; D67-A70 WeakPolarHBondContact O-CA 3.26Å; D67-A70 WeakPolarHBondContact O-CB 3.16Å; D67-A70 PolarHBondContact O-N 2.83Å; D67-N71 PolarHBondContact O-N 2.62Å |
| 68 | A | 73.3 | Confident | 87.4 | Confident | 95 Ų | 95 | 74 Ų | 74 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -52.8 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | N71 | A68-N71 WeakPolarHBondContact O-CB 3.5Å; A68-N71 PolarHBondContact O-N 3.25Å |
| 69 | A | 71.8 | Confident | 87.4 | Confident | 89 Ų | 89 | 67.6 Ų | 67.6 | 74% | 0.736 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.6 | -28.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | D67 N71 | D67-A69 PolarHBondContact O-N 2.74Å; D67-A69 VanDerWaalsContact O-N 3.13Å; A69-N71 VanDerWaalsContact C-N 3.31Å |
| 70 | A | 72.8 | Confident | 87.5 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 26% | 0.264 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -77.6 | -20.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D67 D72 K73 G74 | D67-A70 HydrophobicContact CB-CB 4.17Å; D67-A70 WeakPolarHBondContact O-CA 3.26Å; D67-A70 WeakPolarHBondContact O-CB 3.16Å; D67-A70 PolarHBondContact O-N 2.83Å; A70-D72 PolarHBondContact O-N 2.85Å; A70-K73 PolarHBondContact O-N 3.23Å; A70-G74 WeakPolarHBondContact O-CA 3.46Å; A70-G74 PolarHBondContact O-N 3.29Å |
| 71 | N | 75.1 | Confident | 87.5 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | -174.4 | -169.7 | 38.6 | 0 | 0 | 0 | 113.2 | D67 A68 A69 K73 G74 Y93 | D67-N71 PolarHBondContact O-N 2.62Å; A68-N71 WeakPolarHBondContact O-CB 3.5Å; A68-N71 PolarHBondContact O-N 3.25Å; A69-N71 VanDerWaalsContact C-N 3.31Å; N71-K73 VanDerWaalsContact C-N 3.29Å; N71-K73 PolarHBondContact O-N 3.31Å; N71-G74 PolarHBondContact O-N 2.79Å; N71-Y93 VanDerWaalsContact OD1-CB 3.31Å; N71-Y93 WeakPolarHBondContact OD1-CB 3.42Å; N71-Y93 PolarHBondContact OD1-N 2.84Å; N71-Y93 VanDerWaalsContact OD1-N 3.07Å; N71-Y93 PolarHBondContact OD1-O 2.78Å |
| 72 | D | 76.2 | Confident | 87.5 | Confident | 146 Ų | 146 | 69.8 Ų | 69.8 | 78% | 0.781 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -36.7 | -176.1 | -65.7 | -31.5 | 0 | 0 | 0 | 112.9 | A70 | A70-D72 PolarHBondContact O-N 2.85Š|
| 73 | K | 83.6 | Confident | 87.5 | Confident | 166 Ų | 166 | 64.5 Ų | 64.5 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -20.4 | 179.8 | -64.4 | -178.8 | -177.2 | 177 | 0 | 112.1 | A70 N71 R90 | A70-K73 PolarHBondContact O-N 3.23Å; N71-K73 VanDerWaalsContact C-N 3.29Å; N71-K73 PolarHBondContact O-N 3.31Å; K73-R90 PolarHBondContact O-NH1 3.41Å |
| 74 | G | 87.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 64 Ų | 64 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | trans | 69.9 | 151.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A70 N71 Y91 S92 | A70-G74 WeakPolarHBondContact O-CA 3.46Å; A70-G74 PolarHBondContact O-N 3.29Å; N71-G74 PolarHBondContact O-N 2.79Å; G74-Y91 CarbonylContact C-O 3.57Å; G74-Y91 WeakPolarHBondContact CA-O 3.48Å; G74-S92 VanDerWaalsContact CA-OG 3.26Å; G74-S92 WeakPolarHBondContact CA-OG 3.49Å | ||
| 75 | L | 93.2 | Very high | 87.9 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.5 | 175.2 | -176.7 | 62 | 0 | 0 | 0 | 110 | L66 L77 Y91 | L66-L75 HydrophobicContact CD2-CB 4.22Å; L75-L77 HydrophobicContact CD2-CD2 3.55Å; L75-L77 HydrophobicContact CD2-CG 4.33Å; L75-L77 HydrophobicContact CG-CD2 3.8Å; L75-L77 HydrophobicContact CG-CG 4.3Å; L75-Y91 HydrophobicContact CB-CD1 4.46Å; L75-Y91 PolarHBondContact N-O 2.92Å; L75-Y91 PolarHBondContact O-N 2.87Å |
| 76 | L | 94.6 | Very high | 88.4 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109.1 | 174.9 | -168 | 72.5 | 0 | 0 | 0 | 109.9 | F89 R90 K104 | L76-F89 WeakPolarHBondContact CA-O 3.48Å; L76-R90 HydrophobicContact CD1-CB 4.45Å; L76-K104 HydrophobicContact CD1-CD 4.19Å |
| 77 | L | 95.7 | Very high | 88.9 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 140.8 | 179.4 | -60.1 | 177.7 | 0 | 0 | 0 | 110.4 | F64 L75 F79 R88 F89 Y91 M102 L135 | F64-L77 HydrophobicContact CD1-CD1 3.8Å; F64-L77 HydrophobicContact CE1-CD1 3.88Å; F64-L77 HydrophobicContact CG-CD1 4.25Å; F64-L77 HydrophobicContact CZ-CD1 4.38Å; L75-L77 HydrophobicContact CD2-CD2 3.55Å; L75-L77 HydrophobicContact CD2-CG 4.33Å; L75-L77 HydrophobicContact CG-CD2 3.8Å; L75-L77 HydrophobicContact CG-CG 4.3Å; L77-F79 HydrophobicContact CB-CD2 4.18Å; L77-F79 HydrophobicContact CB-CE2 3.51Å; L77-F79 HydrophobicContact CB-CZ 4.19Å; L77-F79 HydrophobicContact CD1-CE2 3.95Å; L77-F79 HydrophobicContact CD1-CZ 4Å; L77-F79 HydrophobicContact CG-CE2 4.38Å; L77-R88 CarbonylContact O-C 3.59Å; L77-R88 WeakPolarHBondContact O-CA 3.33Å; L77-F89 PolarHBondContact N-O 3.19Å; L77-F89 PolarHBondContact O-N 2.65Å; L77-Y91 HydrophobicContact CD1-CD1 4.37Å; L77-Y91 HydrophobicContact CD1-CG 4.11Å; L77-M102 HydrophobicContact CD1-CE 4Å; L77-L135 HydrophobicContact CB-CD1 4.2Å; L77-L135 HydrophobicContact CD2-CD1 3.94Å; L77-L135 HydrophobicContact CG-CD1 4.5Å |
| 78 | S | 97.1 | Very high | 89.7 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 112.7 | 176.1 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | W87 | S78-W87 WeakPolarHBondContact CA-O 3.27Å |
| 79 | F | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.8 | 177.9 | -65.9 | -91.5 | 0 | 0 | 0 | 110.4 | F64 L77 P86 W87 F89 M102 F123 L135 I137 | F64-F79 HydrophobicContact CE1-CZ 4.07Å; F64-F79 HydrophobicContact CZ-CE1 4.08Å; F64-F79 AromaticContact CZ-CZ 3.7Å; F64-F79 HydrophobicContact CZ-CZ 3.7Å; L77-F79 HydrophobicContact CB-CD2 4.18Å; L77-F79 HydrophobicContact CB-CE2 3.51Å; L77-F79 HydrophobicContact CB-CZ 4.19Å; L77-F79 HydrophobicContact CD1-CE2 3.95Å; L77-F79 HydrophobicContact CD1-CZ 4Å; L77-F79 HydrophobicContact CG-CE2 4.38Å; F79-P86 CarbonylContact O-C 3.41Å; F79-P86 WeakPolarHBondContact O-CA 3.03Å; F79-W87 PolarHBondContact N-O 3.36Å; F79-W87 WeakPolarHBondContact O-CB 3.37Å; F79-W87 PolarHBondContact O-N 3.42Å; F79-F89 AromaticContact CD2-CD2 3.45Å; F79-F89 HydrophobicContact CD2-CD2 3.45Å; F79-F89 VanDerWaalsContact CD2-CD2 3.45Å; F79-F89 AromaticContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CG 4.39Å; F79-F89 AromaticContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CE2 4.37Å; F79-F89 HydrophobicContact CG-CD2 4.44Å; F79-F89 HydrophobicContact CG-CE2 4.37Å; F79-M102 HydrophobicContact CE2-CE 4.04Å; F79-M102 HydrophobicContact CE2-SD 4.15Å; F79-M102 HydrophobicContact CZ-CE 3.87Å; F79-F123 AromaticContact CD1-CD1 3.99Å; F79-F123 HydrophobicContact CD1-CD1 3.99Å; F79-F123 AromaticContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CE1 4.18Å; F79-F123 AromaticContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CE1 4.18Å; F79-L135 CarbonylContact C-O 3.48Å; F79-L135 VanDerWaalsContact CA-O 3.32Å; F79-L135 WeakPolarHBondContact CA-O 3.42Å; F79-L135 HydrophobicContact CD1-CB 3.39Å; F79-L135 HydrophobicContact CD1-CD1 4.41Å; F79-L135 HydrophobicContact CD1-CG 4.49Å; F79-L135 HydrophobicContact CE1-CB 3.52Å; F79-L135 HydrophobicContact CE1-CD1 3.88Å; F79-L135 HydrophobicContact CE1-CG 4.2Å; F79-L135 HydrophobicContact CE2-CD1 4.34Å; F79-L135 HydrophobicContact CG-CB 4.06Å; F79-L135 HydrophobicContact CZ-CB 4.29Å; F79-L135 HydrophobicContact CZ-CD1 3.84Å; F79-I137 HydrophobicContact CB-CB 3.88Å; F79-I137 HydrophobicContact CB-CG2 3.64Å; F79-I137 HydrophobicContact CD1-CB 4.35Å; F79-I137 HydrophobicContact CG-CB 4.33Å |
| 80 | E | 97.4 | Very high | 92.1 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 23% | 0.229 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.3 | 171.1 | -67.2 | 174.3 | -152.2 | 0 | 0 | 110.1 | R134 L135 F136 I137 | E80-R134 IonicContact OE1-CZ 3.55Å; E80-R134 IonicContact OE1-NE 3.07Å; E80-R134 PolarHBondContact OE1-NE 2.9Å; E80-R134 IonicContact OE1-NH2 2.76Å; E80-R134 PolarHBondContact OE1-NH2 3.44Å; E80-R134 IonicContact OE2-CZ 2.82Å; E80-R134 IonicContact OE2-NE 3.65Å; E80-R134 IonicContact OE2-NH2 2.76Å; E80-R134 PolarHBondContact OE2-NH2 3.12Å; E80-L135 PolarHBondContact N-O 2.87Å; E80-F136 HydrophobicContact CB-CD1 3.88Å; E80-F136 HydrophobicContact CB-CE1 4.03Å; E80-F136 CarbonylContact O-C 3.48Å; E80-F136 VanDerWaalsContact O-CA 3.27Å; E80-F136 WeakPolarHBondContact O-CA 3.28Å; E80-I137 PolarHBondContact O-N 2.81Å |
| 81 | D | 96.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | trans | -84 | 176.4 | 175.3 | 76.4 | 10.5 | 0 | 0 | 0 | 113.1 | A83 G84 K85 W87 K113 I137 W139 | D81-A83 PolarHBondContact O-N 2.68Å; D81-A83 VanDerWaalsContact O-N 3.14Å; D81-A83 VanDerWaalsContact OD1-CA 3.29Å; D81-A83 WeakPolarHBondContact OD1-CA 3.46Å; D81-A83 WeakPolarHBondContact OD1-CB 3.13Å; D81-A83 PolarHBondContact OD1-N 3.37Å; D81-G84 PolarHBondContact O-N 3.45Å; D81-G84 PolarHBondContact OD1-N 3.32Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å; D81-K85 PolarHBondContact N-O 3.24Å; D81-K85 WeakPolarHBondContact OD1-CB 3.47Å; D81-K85 PolarHBondContact OD1-N 3.47Å; D81-W87 PolarHBondContact OD2-NE1 3.24Å; D81-K113 VanDerWaalsContact OD2-CE 3.24Å; D81-K113 WeakPolarHBondContact OD2-CE 3.3Å; D81-K113 IonicContact OD2-NZ 2.65Å; D81-K113 PolarHBondContact OD2-NZ 2.59Å; D81-I137 VanDerWaalsContact CA-O 3.32Å; D81-I137 WeakPolarHBondContact CA-O 3.36Å; D81-I137 HydrophobicContact CB-CG2 4.17Å; D81-W139 HydrophobicContact CB-CZ3 4.05Å | ||
| 82 | R | 93.5 | Very high | 94.2 | Very high | 133 Ų | 133 | 60.4 Ų | 60.4 | 50% | 0.502 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.1 | 176.3 | 67 | 177.2 | -179.2 | -134.5 | 9.2 | 114.9 | G84 D138 W139 | R82-G84 VanDerWaalsContact C-N 3.34Å; R82-D138 IonicContact CZ-OD1 2.63Å; R82-D138 IonicContact NH1-OD1 2.82Å; R82-D138 PolarHBondContact NH1-OD1 2.61Å; R82-W139 HydrophobicContact CG-CH2 4.05Å; R82-W139 HydrophobicContact CG-CZ3 4.17Å; R82-W139 PolarHBondContact NH1-O 3.19Å |
| 83 | A | 94.7 | Very high | 95.1 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 3.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D81 K85 | D81-A83 PolarHBondContact O-N 2.68Å; D81-A83 VanDerWaalsContact O-N 3.14Å; D81-A83 VanDerWaalsContact OD1-CA 3.29Å; D81-A83 WeakPolarHBondContact OD1-CA 3.46Å; D81-A83 WeakPolarHBondContact OD1-CB 3.13Å; D81-A83 PolarHBondContact OD1-N 3.37Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.21Å |
| 84 | G | 93.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 76.4 | 8.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D81 R82 | D81-G84 PolarHBondContact O-N 3.45Å; D81-G84 PolarHBondContact OD1-N 3.32Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å; R82-G84 VanDerWaalsContact C-N 3.34Å |
| 85 | K | 97 | Very high | 95.8 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | trans | -80.1 | 130.9 | -178.8 | 178.9 | 173.2 | 175.6 | 170.3 | 0 | 110.6 | D81 A83 W87 E112 | D81-K85 PolarHBondContact N-O 3.24Å; D81-K85 WeakPolarHBondContact OD1-CB 3.47Å; D81-K85 PolarHBondContact OD1-N 3.47Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.21Å; K85-W87 HydrophobicContact CD-CZ2 3.91Å; K85-E112 IonicContact NZ-OE1 3.4Å; K85-E112 PolarHBondContact NZ-OE1 2.76Å; K85-E112 IonicContact NZ-OE2 3.92Å; K85-E112 PolarHBondContact NZ-OE2 2.76Å | ||
| 86 | P | 97.1 | Very high | 95.9 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.7 | 178.5 | 31.1 | -34.8 | 0 | 0 | 0 | 112.5 | F79 | F79-P86 CarbonylContact O-C 3.41Å; F79-P86 WeakPolarHBondContact O-CA 3.03Å |
| 87 | W | 98.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 112.7 | -179.3 | -66.7 | 96.8 | 0 | 0 | 0 | 110 | S78 F79 D81 K85 F89 R108 F109 E112 | S78-W87 WeakPolarHBondContact CA-O 3.27Å; F79-W87 PolarHBondContact N-O 3.36Å; F79-W87 WeakPolarHBondContact O-CB 3.37Å; F79-W87 PolarHBondContact O-N 3.42Å; D81-W87 PolarHBondContact OD2-NE1 3.24Å; K85-W87 HydrophobicContact CD-CZ2 3.91Å; W87-F89 HydrophobicContact CB-CE1 3.83Å; W87-F89 HydrophobicContact CB-CE2 4.33Å; W87-F89 HydrophobicContact CB-CZ 3.64Å; W87-F89 HydrophobicContact CE3-CE1 4.45Å; W87-F89 HydrophobicContact CG-CZ 4.37Å; W87-R108 HydrophobicContact CZ3-CB 3.93Å; W87-F109 HydrophobicContact CD2-CB 4.31Å; W87-F109 AromaticContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CE2 4.4Å; W87-F109 HydrophobicContact CD2-CG 4.41Å; W87-F109 AromaticContact CE2-CD2 3.54Å; W87-F109 HydrophobicContact CE3-CB 3.77Å; W87-F109 AromaticContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CG 4.36Å; W87-F109 HydrophobicContact CG-CD2 4.01Å; W87-F109 HydrophobicContact CH2-CB 4.32Å; W87-F109 HydrophobicContact CH2-CD2 4.16Å; W87-F109 AromaticContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ3-CB 3.79Å; W87-F109 HydrophobicContact CZ3-CD2 4.21Å; W87-F109 VanDerWaalsContact CZ3-N 3.31Å; W87-F109 AromaticContact NE1-CD2 3.91Å; W87-E112 HydrophobicContact CH2-CB 3.86Å; W87-E112 VanDerWaalsContact CH2-CD 3.47Å; W87-E112 HydrophobicContact CH2-CG 4.22Å; W87-E112 VanDerWaalsContact CH2-OE2 3.3Å; W87-E112 WeakPolarHBondContact CH2-OE2 3.48Å; W87-E112 WeakPolarHBondContact CZ2-OE1 3.27Å |
| 88 | R | 97.8 | Very high | 95.8 | Very high | 145 Ų | 145 | 65.8 Ų | 65.8 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 110.8 | -176.4 | -64.8 | 175 | 73 | -177.6 | 7.7 | 111.2 | L77 G105 | L77-R88 CarbonylContact O-C 3.59Å; L77-R88 WeakPolarHBondContact O-CA 3.33Å; R88-G105 WeakPolarHBondContact O-CA 3.32Å; R88-G105 PolarHBondContact O-N 3.44Å; R88-G105 VanDerWaalsContact O-N 3.15Å |
| 89 | F | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.8 | 179.2 | -54.9 | -31.2 | 0 | 0 | 0 | 110.8 | L76 L77 F79 W87 M102 T103 F109 I137 | L76-F89 WeakPolarHBondContact CA-O 3.48Å; L77-F89 PolarHBondContact N-O 3.19Å; L77-F89 PolarHBondContact O-N 2.65Å; F79-F89 AromaticContact CD2-CD2 3.45Å; F79-F89 HydrophobicContact CD2-CD2 3.45Å; F79-F89 VanDerWaalsContact CD2-CD2 3.45Å; F79-F89 AromaticContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CE2 3.78Å; F79-F89 HydrophobicContact CD2-CG 4.39Å; F79-F89 AromaticContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CD2 3.73Å; F79-F89 HydrophobicContact CE2-CE2 4.37Å; F79-F89 HydrophobicContact CG-CD2 4.44Å; F79-F89 HydrophobicContact CG-CE2 4.37Å; W87-F89 HydrophobicContact CB-CE1 3.83Å; W87-F89 HydrophobicContact CB-CE2 4.33Å; W87-F89 HydrophobicContact CB-CZ 3.64Å; W87-F89 HydrophobicContact CE3-CE1 4.45Å; W87-F89 HydrophobicContact CG-CZ 4.37Å; F89-M102 HydrophobicContact CB-CB 4.21Å; F89-M102 HydrophobicContact CB-CG 4.43Å; F89-M102 HydrophobicContact CB-SD 4.24Å; F89-M102 HydrophobicContact CD2-SD 3.72Å; F89-M102 HydrophobicContact CG-SD 4.37Å; F89-T103 WeakPolarHBondContact CA-O 3.37Å; F89-F109 HydrophobicContact CE1-CB 4.28Å; F89-F109 HydrophobicContact CZ-CB 4.17Å; F89-F109 HydrophobicContact CZ-CG 4.29Å; F89-I137 HydrophobicContact CE2-CD1 3.72Å; F89-I137 HydrophobicContact CZ-CD1 4.05Å |
| 90 | R | 96.2 | Very high | 95.8 | Very high | 104 Ų | 104 | 66.3 Ų | 66.3 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.5 | 167.8 | 175.1 | 170.4 | -67.1 | -146.6 | 0.3 | 108.4 | K73 L76 M102 T103 K104 | K73-R90 PolarHBondContact O-NH1 3.41Å; L76-R90 HydrophobicContact CD1-CB 4.45Å; R90-M102 CarbonylContact O-C 3.52Å; R90-M102 WeakPolarHBondContact O-CA 3.36Å; R90-T103 PolarHBondContact N-O 3.19Å; R90-T103 VanDerWaalsContact N-O 3.15Å; R90-T103 PolarHBondContact O-N 3.39Å; R90-T103 PolarHBondContact O-OG1 3.17Å; R90-K104 HydrophobicContact CB-CB 4.27Å |
| 91 | Y | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.9 | 178.6 | 177.5 | -115.3 | 0 | 0 | 0 | 110.2 | I55 A60 F64 L66 G74 L75 L77 Y100 V101 M102 | I55-Y91 HydrophobicContact CB-CE2 4.41Å; I55-Y91 HydrophobicContact CG1-CD2 4.45Å; I55-Y91 HydrophobicContact CG1-CE2 4.08Å; A60-Y91 WeakPolarHBondContact CA-OH 3.43Å; A60-Y91 WeakPolarHBondContact CB-OH 3.35Å; F64-Y91 HydrophobicContact CB-CD1 4.02Å; F64-Y91 HydrophobicContact CB-CE1 3.36Å; F64-Y91 HydrophobicContact CB-CE2 4.5Å; F64-Y91 HydrophobicContact CG-CE1 4.34Å; F64-Y91 VanDerWaalsContact O-CE1 3.28Å; F64-Y91 WeakPolarHBondContact O-CE1 3.49Å; F64-Y91 PolarHBondContact O-OH 3.36Å; L66-Y91 HydrophobicContact CD1-CD1 4.23Å; L66-Y91 HydrophobicContact CD1-CE1 3.77Å; L66-Y91 HydrophobicContact CD2-CD1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CD1 3.48Å; L66-Y91 HydrophobicContact CD2-CE1 3.48Å; L66-Y91 VanDerWaalsContact CD2-CE1 3.48Å; L66-Y91 HydrophobicContact CG-CD1 3.98Å; L66-Y91 HydrophobicContact CG-CE1 3.44Å; L66-Y91 VanDerWaalsContact CG-CE1 3.44Å; G74-Y91 CarbonylContact C-O 3.57Å; G74-Y91 WeakPolarHBondContact CA-O 3.48Å; L75-Y91 HydrophobicContact CB-CD1 4.46Å; L75-Y91 PolarHBondContact N-O 2.92Å; L75-Y91 PolarHBondContact O-N 2.87Å; L77-Y91 HydrophobicContact CD1-CD1 4.37Å; L77-Y91 HydrophobicContact CD1-CG 4.11Å; Y91-Y100 HydrophobicContact CE2-CD1 4.27Å; Y91-Y100 AromaticContact CZ-CD1 3.76Å; Y91-Y100 WeakPolarHBondContact OH-CD1 3.25Å; Y91-V101 WeakPolarHBondContact CA-O 3.36Å; Y91-M102 HydrophobicContact CD2-CE 4.34Å; Y91-M102 HydrophobicContact CD2-CG 3.94Å |
| 92 | S | 95.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 155.2 | -175.2 | -63 | 0 | 0 | 0 | 0 | 110.7 | G74 V101 | G74-S92 VanDerWaalsContact CA-OG 3.26Å; G74-S92 WeakPolarHBondContact CA-OG 3.49Å; S92-V101 PolarHBondContact N-O 3.22Å; S92-V101 PolarHBondContact O-N 2.87Å |
| 93 | Y | 95.5 | Very high | 96 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.1 | 165.9 | 178.5 | -100.4 | 0 | 0 | 0 | 109.7 | N71 Q98 Y100 | N71-Y93 VanDerWaalsContact OD1-CB 3.31Å; N71-Y93 WeakPolarHBondContact OD1-CB 3.42Å; N71-Y93 PolarHBondContact OD1-N 2.84Å; N71-Y93 VanDerWaalsContact OD1-N 3.07Å; N71-Y93 PolarHBondContact OD1-O 2.78Å; Y93-Q98 VanDerWaalsContact OH-CA 3.3Å; Y93-Q98 WeakPolarHBondContact OH-CA 3.31Å; Y93-Q98 WeakPolarHBondContact OH-CB 3.38Å; Y93-Y100 AromaticContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD2 4Å; Y93-Y100 AromaticContact CD2-CE1 3.85Å; Y93-Y100 HydrophobicContact CD2-CE1 3.85Å; Y93-Y100 AromaticContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CG 4.02Å; Y93-Y100 AromaticContact CD2-CZ 3.82Å; Y93-Y100 HydrophobicContact CE2-CD2 4.42Å; Y93-Y100 HydrophobicContact CE2-CE2 4.16Å; Y93-Y100 HydrophobicContact CG-CD1 4.48Å; Y93-Y100 HydrophobicContact CG-CE1 4.33Å |
| 94 | W | 93.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 60.8 Ų | 60.8 | 37% | 0.367 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110 | 179.4 | -77.8 | 23.4 | 0 | 0 | 0 | 109.7 | S96 S97 Q98 S99 V101 T103 | W94-S96 PolarHBondContact O-N 3.09Å; W94-S97 PolarHBondContact O-N 2.86Å; W94-Q98 WeakPolarHBondContact O-CA 3.19Å; W94-Q98 PolarHBondContact O-N 3.01Å; W94-S99 PolarHBondContact N-O 3.39Å; W94-S99 PolarHBondContact O-N 2.92Å; W94-V101 HydrophobicContact CD2-CG2 3.88Å; W94-V101 HydrophobicContact CG-CG2 3.73Å; W94-V101 HydrophobicContact CZ2-CG2 4.31Å; W94-V101 VanDerWaalsContact NE1-CG2 3.29Å; W94-T103 HydrophobicContact CZ2-CG2 4.05Å |
| 95 | N | 92.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 59.9 Ų | 59.9 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -62.1 | -40.1 | -174.8 | -167.8 | 55.1 | 0 | 0 | 0 | 112.9 | S97 Q98 | N95-S97 VanDerWaalsContact C-N 3.28Å; N95-S97 PolarHBondContact O-N 3.26Å; N95-Q98 WeakPolarHBondContact O-CG 3.43Å; N95-Q98 PolarHBondContact O-N 3.32Å; N95-Q98 VanDerWaalsContact O-N 3.14Å |
| 96 | S | 93.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 56 Ų | 56 | 82% | 0.818 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -61.6 | -32.7 | -177.2 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | W94 | W94-S96 PolarHBondContact O-N 3.09Š|
| 97 | S | 93.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -108 | 4.6 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | W94 N95 S99 | W94-S97 PolarHBondContact O-N 2.86Å; N95-S97 VanDerWaalsContact C-N 3.28Å; N95-S97 PolarHBondContact O-N 3.26Å; S97-S99 PolarHBondContact O-N 3.13Å; S97-S99 VanDerWaalsContact O-N 3.15Å; S97-S99 PolarHBondContact O-OG 3.14Å |
| 98 | Q | 95.6 | Very high | 96.3 | Very high | 152 Ų | 152 | 61.7 Ų | 61.7 | 71% | 0.71 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 46.6 | -175.5 | -60.6 | -178.2 | -37.6 | 0 | 0 | 113.4 | Y93 W94 N95 | Y93-Q98 VanDerWaalsContact OH-CA 3.3Å; Y93-Q98 WeakPolarHBondContact OH-CA 3.31Å; Y93-Q98 WeakPolarHBondContact OH-CB 3.38Å; W94-Q98 WeakPolarHBondContact O-CA 3.19Å; W94-Q98 PolarHBondContact O-N 3.01Å; N95-Q98 WeakPolarHBondContact O-CG 3.43Å; N95-Q98 PolarHBondContact O-N 3.32Å; N95-Q98 VanDerWaalsContact O-N 3.14Å |
| 99 | S | 96.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.2 | -169.3 | -68 | 0 | 0 | 0 | 0 | 112.1 | W94 S97 | W94-S99 PolarHBondContact N-O 3.39Å; W94-S99 PolarHBondContact O-N 2.92Å; S97-S99 PolarHBondContact O-N 3.13Å; S97-S99 VanDerWaalsContact O-N 3.15Å; S97-S99 PolarHBondContact O-OG 3.14Å |
| 100 | Y | 97.1 | Very high | 96.3 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131.3 | 168.8 | -64.1 | -87.7 | 0 | 0 | 0 | 109.9 | I55 K57 A60 E61 L66 Y91 Y93 | I55-Y100 PolarHBondContact N-O 3.26Å; K57-Y100 HydrophobicContact CG-CE2 4.21Å; A60-Y100 HydrophobicContact CB-CD1 3.85Å; A60-Y100 HydrophobicContact CB-CD2 3.43Å; A60-Y100 VanDerWaalsContact CB-CD2 3.43Å; A60-Y100 HydrophobicContact CB-CE1 4.25Å; A60-Y100 HydrophobicContact CB-CE2 3.9Å; A60-Y100 HydrophobicContact CB-CG 3.4Å; A60-Y100 VanDerWaalsContact CB-CG 3.4Å; E61-Y100 HydrophobicContact CG-CE2 4.47Å; L66-Y100 HydrophobicContact CD1-CD1 3.76Å; L66-Y100 HydrophobicContact CD1-CE1 3.79Å; L66-Y100 HydrophobicContact CG-CE1 4.34Å; Y91-Y100 HydrophobicContact CE2-CD1 4.27Å; Y91-Y100 AromaticContact CZ-CD1 3.76Å; Y91-Y100 WeakPolarHBondContact OH-CD1 3.25Å; Y93-Y100 AromaticContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD1 3.93Å; Y93-Y100 HydrophobicContact CD2-CD2 4Å; Y93-Y100 AromaticContact CD2-CE1 3.85Å; Y93-Y100 HydrophobicContact CD2-CE1 3.85Å; Y93-Y100 AromaticContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CE2 3.89Å; Y93-Y100 HydrophobicContact CD2-CG 4.02Å; Y93-Y100 AromaticContact CD2-CZ 3.82Å; Y93-Y100 HydrophobicContact CE2-CD2 4.42Å; Y93-Y100 HydrophobicContact CE2-CE2 4.16Å; Y93-Y100 HydrophobicContact CG-CD1 4.48Å; Y93-Y100 HydrophobicContact CG-CE1 4.33Å |
| 101 | V | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.2 | -175.1 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | R52 L53 V54 Y91 S92 W94 T103 | R52-V101 HydrophobicContact CB-CB 4.43Å; L53-V101 CarbonylContact O-C 3.58Å; L53-V101 WeakPolarHBondContact O-CA 3.32Å; V54-V101 HydrophobicContact CG2-CG1 4.32Å; Y91-V101 WeakPolarHBondContact CA-O 3.36Å; S92-V101 PolarHBondContact N-O 3.22Å; S92-V101 PolarHBondContact O-N 2.87Å; W94-V101 HydrophobicContact CD2-CG2 3.88Å; W94-V101 HydrophobicContact CG-CG2 3.73Å; W94-V101 HydrophobicContact CZ2-CG2 4.31Å; W94-V101 VanDerWaalsContact NE1-CG2 3.29Å; V101-T103 HydrophobicContact CG2-CG2 4.16Å |
| 102 | M | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.6 | 164.8 | -67.7 | -172.4 | -172.6 | 0 | 0 | 110.3 | R52 L53 I55 F64 L77 F79 F89 R90 Y91 F123 | R52-M102 WeakPolarHBondContact CA-O 3.28Å; L53-M102 HydrophobicContact CB-CB 4.29Å; L53-M102 PolarHBondContact N-O 2.94Å; L53-M102 PolarHBondContact O-N 3.17Å; I55-M102 HydrophobicContact CD1-CE 3.91Å; I55-M102 HydrophobicContact CD1-CG 4.08Å; I55-M102 HydrophobicContact CD1-SD 4.11Å; I55-M102 HydrophobicContact CG1-CE 4.19Å; I55-M102 HydrophobicContact CG1-CG 4.08Å; F64-M102 HydrophobicContact CD2-CE 4.22Å; F64-M102 HydrophobicContact CE2-CE 3.72Å; F64-M102 HydrophobicContact CZ-CE 4.16Å; L77-M102 HydrophobicContact CD1-CE 4Å; F79-M102 HydrophobicContact CE2-CE 4.04Å; F79-M102 HydrophobicContact CE2-SD 4.15Å; F79-M102 HydrophobicContact CZ-CE 3.87Å; F89-M102 HydrophobicContact CB-CB 4.21Å; F89-M102 HydrophobicContact CB-CG 4.43Å; F89-M102 HydrophobicContact CB-SD 4.24Å; F89-M102 HydrophobicContact CD2-SD 3.72Å; F89-M102 HydrophobicContact CG-SD 4.37Å; R90-M102 CarbonylContact O-C 3.52Å; R90-M102 WeakPolarHBondContact O-CA 3.36Å; Y91-M102 HydrophobicContact CD2-CE 4.34Å; Y91-M102 HydrophobicContact CD2-CG 3.94Å; M102-F123 HydrophobicContact CE-CE1 4.15Å; M102-F123 HydrophobicContact SD-CE1 4.02Å; M102-F123 HydrophobicContact SD-CZ 4.28Å |
| 103 | T | 97.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | -166.4 | -177.7 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | R52 F89 R90 W94 V101 G105 | R52-T103 HydrophobicContact CB-CG2 3.98Å; F89-T103 WeakPolarHBondContact CA-O 3.37Å; R90-T103 PolarHBondContact N-O 3.19Å; R90-T103 VanDerWaalsContact N-O 3.15Å; R90-T103 PolarHBondContact O-N 3.39Å; R90-T103 PolarHBondContact O-OG1 3.17Å; W94-T103 HydrophobicContact CZ2-CG2 4.05Å; V101-T103 HydrophobicContact CG2-CG2 4.16Å; T103-G105 PolarHBondContact O-N 2.87Å |
| 104 | K | 96.1 | Very high | 96.5 | Very high | 121 Ų | 121 | 69.5 Ų | 69.5 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 66 | -94.2 | 179.3 | -170.3 | 178.2 | -178.2 | 169.2 | 0 | 112.6 | L76 R90 W106 | L76-K104 HydrophobicContact CD1-CD 4.19Å; R90-K104 HydrophobicContact CB-CB 4.27Å; K104-W106 PolarHBondContact O-N 2.93Å |
| 105 | G | 97.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R88 T103 S107 R108 F109 | R88-G105 WeakPolarHBondContact O-CA 3.32Å; R88-G105 PolarHBondContact O-N 3.44Å; R88-G105 VanDerWaalsContact O-N 3.15Å; T103-G105 PolarHBondContact O-N 2.87Å; G105-S107 PolarHBondContact O-N 2.98Å; G105-R108 WeakPolarHBondContact O-CB 3.43Å; G105-R108 PolarHBondContact O-N 3Å; G105-R108 VanDerWaalsContact O-N 3.15Å; G105-F109 PolarHBondContact O-N 2.82Å |
| 106 | W | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.8 | -48.6 | -175.2 | 170.2 | -113 | 0 | 0 | 0 | 113.2 | D46 R52 L53 K104 R108 F109 V110 L115 V121 | D46-W106 HydrophobicContact CB-CZ2 4.06Å; D46-W106 PolarHBondContact O-NE1 2.71Å; R52-W106 VanDerWaalsContact C-CD1 3.44Å; L53-W106 HydrophobicContact CB-CD2 3.68Å; L53-W106 HydrophobicContact CB-CE3 4.09Å; L53-W106 HydrophobicContact CB-CG 4.03Å; L53-W106 HydrophobicContact CB-CH2 4.43Å; L53-W106 HydrophobicContact CB-CZ2 4.06Å; L53-W106 HydrophobicContact CB-CZ3 4.44Å; L53-W106 HydrophobicContact CD1-CH2 4.03Å; L53-W106 HydrophobicContact CD1-CZ2 3.99Å; L53-W106 HydrophobicContact CD2-CE3 4.08Å; L53-W106 HydrophobicContact CD2-CH2 4.25Å; L53-W106 HydrophobicContact CD2-CZ3 3.93Å; L53-W106 HydrophobicContact CG-CH2 4.48Å; L53-W106 HydrophobicContact CG-CZ2 4.46Å; K104-W106 PolarHBondContact O-N 2.93Å; W106-R108 PolarHBondContact O-N 3.17Å; W106-F109 HydrophobicContact CE3-CD1 4.05Å; W106-F109 AromaticContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CE1 4.19Å; W106-F109 WeakPolarHBondContact O-CB 3.34Å; W106-F109 PolarHBondContact O-N 3.15Å; W106-V110 HydrophobicContact CD2-CG2 3.87Å; W106-V110 HydrophobicContact CE3-CG2 4.28Å; W106-V110 HydrophobicContact CH2-CG2 3.75Å; W106-V110 HydrophobicContact CZ2-CG2 3.26Å; W106-V110 HydrophobicContact CZ3-CG2 4.23Å; W106-V110 PolarHBondContact O-N 3.02Å; W106-L115 HydrophobicContact CH2-CD1 3.85Å; W106-L115 HydrophobicContact CZ3-CD1 4.2Å; W106-V121 HydrophobicContact CH2-CG2 4.15Å; W106-V121 HydrophobicContact CZ3-CG2 4.33Å |
| 107 | S | 97.3 | Very high | 97 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -29.5 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | G105 K111 | G105-S107 PolarHBondContact O-N 2.98Å; S107-K111 VanDerWaalsContact O-CG 3.28Å; S107-K111 WeakPolarHBondContact O-CG 3.24Å; S107-K111 PolarHBondContact O-N 3.14Å |
| 108 | R | 97.5 | Very high | 97.1 | Very high | 184 Ų | 184 | 59 Ų | 59 | 69% | 0.694 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.7 | -41.2 | 172.3 | -65.3 | -174.6 | 179.8 | -173.4 | -2 | 111.1 | W87 G105 W106 K111 E112 | W87-R108 HydrophobicContact CZ3-CB 3.93Å; G105-R108 WeakPolarHBondContact O-CB 3.43Å; G105-R108 PolarHBondContact O-N 3Å; G105-R108 VanDerWaalsContact O-N 3.15Å; W106-R108 PolarHBondContact O-N 3.17Å; R108-K111 PolarHBondContact O-N 3.35Å; R108-E112 VanDerWaalsContact O-CB 3.3Å; R108-E112 WeakPolarHBondContact O-CB 3.47Å; R108-E112 PolarHBondContact O-N 2.8Å |
| 109 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 177.1 | -175.5 | -103.9 | 0 | 0 | 0 | 111.3 | W87 F89 G105 W106 K111 E112 K113 L115 V121 I137 W139 | W87-F109 HydrophobicContact CD2-CB 4.31Å; W87-F109 AromaticContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CD2 3.57Å; W87-F109 HydrophobicContact CD2-CE2 4.4Å; W87-F109 HydrophobicContact CD2-CG 4.41Å; W87-F109 AromaticContact CE2-CD2 3.54Å; W87-F109 HydrophobicContact CE3-CB 3.77Å; W87-F109 AromaticContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CD2 3.92Å; W87-F109 HydrophobicContact CE3-CG 4.36Å; W87-F109 HydrophobicContact CG-CD2 4.01Å; W87-F109 HydrophobicContact CH2-CB 4.32Å; W87-F109 HydrophobicContact CH2-CD2 4.16Å; W87-F109 AromaticContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ2-CD2 3.85Å; W87-F109 HydrophobicContact CZ3-CB 3.79Å; W87-F109 HydrophobicContact CZ3-CD2 4.21Å; W87-F109 VanDerWaalsContact CZ3-N 3.31Å; W87-F109 AromaticContact NE1-CD2 3.91Å; F89-F109 HydrophobicContact CE1-CB 4.28Å; F89-F109 HydrophobicContact CZ-CB 4.17Å; F89-F109 HydrophobicContact CZ-CG 4.29Å; G105-F109 PolarHBondContact O-N 2.82Å; W106-F109 HydrophobicContact CE3-CD1 4.05Å; W106-F109 AromaticContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CD1 3.66Å; W106-F109 HydrophobicContact CZ3-CE1 4.19Å; W106-F109 WeakPolarHBondContact O-CB 3.34Å; W106-F109 PolarHBondContact O-N 3.15Å; F109-K111 PolarHBondContact O-N 3.14Å; F109-E112 PolarHBondContact O-N 2.9Å; F109-K113 HydrophobicContact CD2-CG 3.91Å; F109-K113 HydrophobicContact CE1-CG 4.47Å; F109-K113 HydrophobicContact CE2-CG 3.7Å; F109-K113 HydrophobicContact CG-CG 4.39Å; F109-K113 HydrophobicContact CZ-CG 4Å; F109-K113 WeakPolarHBondContact O-CB 3.38Å; F109-K113 WeakPolarHBondContact O-CG 3.3Å; F109-K113 PolarHBondContact O-N 3.14Å; F109-L115 HydrophobicContact CD1-CD1 3.66Å; F109-L115 HydrophobicContact CE1-CD1 3.58Å; F109-V121 HydrophobicContact CE1-CG1 4.48Å; F109-V121 HydrophobicContact CE1-CG2 4.42Å; F109-I137 HydrophobicContact CD1-CD1 4.19Å; F109-I137 HydrophobicContact CE1-CD1 3.63Å; F109-I137 HydrophobicContact CE1-CG1 4.23Å; F109-I137 HydrophobicContact CE2-CD1 4.05Å; F109-I137 HydrophobicContact CE2-CG1 4.32Å; F109-I137 HydrophobicContact CE2-CG2 4.12Å; F109-I137 HydrophobicContact CZ-CD1 3.57Å; F109-I137 HydrophobicContact CZ-CG1 3.77Å; F109-I137 HydrophobicContact CZ-CG2 4.39Å; F109-W139 HydrophobicContact CE2-CE3 4.05Å; F109-W139 HydrophobicContact CE2-CZ3 4.28Å; F109-W139 HydrophobicContact CZ-CD2 4.25Å; F109-W139 AromaticContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CZ3 4.33Å |
| 110 | V | 97.8 | Very high | 97.3 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.2 | -49.9 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | V47 W106 R114 L115 | V47-V110 HydrophobicContact CB-CG1 4.13Å; V47-V110 HydrophobicContact CG1-CG1 3.83Å; V47-V110 HydrophobicContact CG1-CG2 4.23Å; W106-V110 HydrophobicContact CD2-CG2 3.87Å; W106-V110 HydrophobicContact CE3-CG2 4.28Å; W106-V110 HydrophobicContact CH2-CG2 3.75Å; W106-V110 HydrophobicContact CZ2-CG2 3.26Å; W106-V110 HydrophobicContact CZ3-CG2 4.23Å; W106-V110 PolarHBondContact O-N 3.02Å; V110-R114 CarbonylContact O-C 3.52Å; V110-R114 WeakPolarHBondContact O-CA 3.29Å; V110-R114 PolarHBondContact O-N 3.15Å; V110-L115 HydrophobicContact CG1-CB 4.36Å; V110-L115 HydrophobicContact CG2-CD1 4.31Å; V110-L115 PolarHBondContact O-N 3.46Å |
| 111 | K | 97.2 | Very high | 97.3 | Very high | 162 Ų | 162 | 49.4 Ų | 49.4 | 70% | 0.704 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.9 | -44.9 | -178.7 | -73.5 | 177.7 | -179.3 | -172 | 0 | 112.6 | S107 R108 F109 R114 | S107-K111 VanDerWaalsContact O-CG 3.28Å; S107-K111 WeakPolarHBondContact O-CG 3.24Å; S107-K111 PolarHBondContact O-N 3.14Å; R108-K111 PolarHBondContact O-N 3.35Å; F109-K111 PolarHBondContact O-N 3.14Å; K111-R114 PolarHBondContact O-N 2.82Å |
| 112 | E | 97.5 | Very high | 97.4 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.7 | -42.2 | -175.2 | -171.7 | 175.2 | 127.6 | 0 | 0 | 112.3 | K85 W87 R108 F109 R114 | K85-E112 IonicContact NZ-OE1 3.4Å; K85-E112 PolarHBondContact NZ-OE1 2.76Å; K85-E112 IonicContact NZ-OE2 3.92Å; K85-E112 PolarHBondContact NZ-OE2 2.76Å; W87-E112 HydrophobicContact CH2-CB 3.86Å; W87-E112 VanDerWaalsContact CH2-CD 3.47Å; W87-E112 HydrophobicContact CH2-CG 4.22Å; W87-E112 VanDerWaalsContact CH2-OE2 3.3Å; W87-E112 WeakPolarHBondContact CH2-OE2 3.48Å; W87-E112 WeakPolarHBondContact CZ2-OE1 3.27Å; R108-E112 VanDerWaalsContact O-CB 3.3Å; R108-E112 WeakPolarHBondContact O-CB 3.47Å; R108-E112 PolarHBondContact O-N 2.8Å; F109-E112 PolarHBondContact O-N 2.9Å; E112-R114 PolarHBondContact O-N 3.15Å |
| 113 | K | 96.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -84.6 | -2.5 | 177.5 | -53.7 | -41.1 | -169.8 | -177 | 0 | 112.6 | D81 F109 L115 W139 R141 | D81-K113 VanDerWaalsContact OD2-CE 3.24Å; D81-K113 WeakPolarHBondContact OD2-CE 3.3Å; D81-K113 IonicContact OD2-NZ 2.65Å; D81-K113 PolarHBondContact OD2-NZ 2.59Å; F109-K113 HydrophobicContact CD2-CG 3.91Å; F109-K113 HydrophobicContact CE1-CG 4.47Å; F109-K113 HydrophobicContact CE2-CG 3.7Å; F109-K113 HydrophobicContact CG-CG 4.39Å; F109-K113 HydrophobicContact CZ-CG 4Å; F109-K113 WeakPolarHBondContact O-CB 3.38Å; F109-K113 WeakPolarHBondContact O-CG 3.3Å; F109-K113 PolarHBondContact O-N 3.14Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 HydrophobicContact CB-CD2 4.24Å; K113-L115 HydrophobicContact CB-CG 4.16Å; K113-L115 PolarHBondContact O-N 3.11Å; K113-W139 HydrophobicContact CB-CD2 4.08Å; K113-W139 HydrophobicContact CB-CG 4.39Å; K113-W139 HydrophobicContact CB-CZ2 4.16Å; K113-W139 HydrophobicContact CD-CD2 4.45Å; K113-W139 HydrophobicContact CD-CE3 4.45Å; K113-W139 HydrophobicContact CD-CH2 3.47Å; K113-W139 VanDerWaalsContact CD-CH2 3.47Å; K113-W139 HydrophobicContact CD-CZ2 3.4Å; K113-W139 VanDerWaalsContact CD-CZ2 3.4Å; K113-W139 HydrophobicContact CD-CZ3 4Å; K113-W139 HydrophobicContact CG-CD2 3.95Å; K113-W139 HydrophobicContact CG-CE3 4.08Å; K113-W139 HydrophobicContact CG-CH2 4Å; K113-W139 HydrophobicContact CG-CZ2 3.82Å; K113-W139 HydrophobicContact CG-CZ3 4.11Å; K113-R141 PolarHBondContact O-NH2 3.37Å; K113-R141 VanDerWaalsContact O-NH2 3.15Å |
| 114 | R | 96.9 | Very high | 97.4 | Very high | 192 Ų | 192 | 49.7 Ų | 49.7 | 73% | 0.725 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 42.2 | -178.4 | -58.7 | 179.2 | -178.8 | -173.1 | -0.3 | 112.4 | V110 K111 E112 R141 | V110-R114 CarbonylContact O-C 3.52Å; V110-R114 WeakPolarHBondContact O-CA 3.29Å; V110-R114 PolarHBondContact O-N 3.15Å; K111-R114 PolarHBondContact O-N 2.82Å; E112-R114 PolarHBondContact O-N 3.15Å; R114-R141 PolarHBondContact O-NH1 3.03Å; R114-R141 PolarHBondContact O-NH2 3.41Å |
| 115 | L | 97.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | trans | -66.4 | 140.3 | -175.4 | -63.8 | 179.8 | 0 | 0 | 0 | 112 | V47 W106 F109 V110 K113 D119 V121 W139 | V47-L115 HydrophobicContact CG1-CB 4.21Å; V47-L115 WeakPolarHBondContact CG1-O 3.44Å; W106-L115 HydrophobicContact CH2-CD1 3.85Å; W106-L115 HydrophobicContact CZ3-CD1 4.2Å; F109-L115 HydrophobicContact CD1-CD1 3.66Å; F109-L115 HydrophobicContact CE1-CD1 3.58Å; V110-L115 HydrophobicContact CG1-CB 4.36Å; V110-L115 HydrophobicContact CG2-CD1 4.31Å; V110-L115 PolarHBondContact O-N 3.46Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 HydrophobicContact CB-CD2 4.24Å; K113-L115 HydrophobicContact CB-CG 4.16Å; K113-L115 PolarHBondContact O-N 3.11Å; L115-D119 HydrophobicContact CD2-CB 4.45Å; L115-V121 HydrophobicContact CD1-CG2 3.85Å; L115-W139 HydrophobicContact CD2-CB 3.75Å; L115-W139 HydrophobicContact CD2-CG 3.8Å | ||
| 116 | D | 97.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | trans | -118.5 | 162.9 | 176 | -72.6 | -59.9 | 0 | 0 | 0 | 112.1 | G118 D119 R141 | D116-G118 PolarHBondContact O-N 2.94Å; D116-D119 PolarHBondContact N-OD2 2.83Å; D116-D119 WeakPolarHBondContact O-CB 3.4Å; D116-D119 PolarHBondContact O-N 2.89Å; D116-D119 VanDerWaalsContact O-N 3.13Å; D116-R141 IonicContact OD2-NH1 3.79Å; D116-R141 PolarHBondContact OD2-NH1 3.25Å | ||
| 117 | A | 96.5 | Very high | 96.8 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 41% | 0.405 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 126 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P44 V47 | P44-A117 HydrophobicContact CB-CB 4.44Å; P44-A117 HydrophobicContact CG-CB 3.98Å; V47-A117 HydrophobicContact CG2-CB 4.14Å |
| 118 | G | 96.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | -13 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V42 D116 R142 | V42-G118 PolarHBondContact O-N 3.3Å; D116-G118 PolarHBondContact O-N 2.94Å; G118-R142 PolarHBondContact O-NE 2.91Å |
| 119 | D | 97.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | trans | -63.2 | 161.7 | 166.2 | -71.1 | -17.5 | 0 | 0 | 0 | 110.3 | V41 V42 L115 D116 R141 R142 | V41-D119 WeakPolarHBondContact CA-O 3.38Å; V42-D119 WeakPolarHBondContact CB-O 3.42Å; V42-D119 WeakPolarHBondContact CG2-O 3.28Å; V42-D119 PolarHBondContact N-O 3.22Å; L115-D119 HydrophobicContact CD2-CB 4.45Å; D116-D119 PolarHBondContact N-OD2 2.83Å; D116-D119 WeakPolarHBondContact O-CB 3.4Å; D116-D119 PolarHBondContact O-N 2.89Å; D116-D119 VanDerWaalsContact O-N 3.13Å; D119-R141 VanDerWaalsContact OD1-CA 3.28Å; D119-R141 WeakPolarHBondContact OD1-CA 3.42Å; D119-R141 WeakPolarHBondContact OD2-CD 3.39Å; D119-R141 IonicContact OD2-CZ 3.68Å; D119-R141 IonicContact OD2-NE 3.25Å; D119-R141 IonicContact OD2-NH1 3.36Å; D119-R141 PolarHBondContact OD2-NH1 2.91Å; D119-R142 PolarHBondContact OD1-N 3.44Å | ||
| 120 | T | 97.9 | Very high | 95 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.4 | 175.9 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | D39 K40 W139 R140 | D39-T120 HydrophobicContact CB-CG2 3.81Å; K40-T120 WeakPolarHBondContact O-CA 2.78Å; T120-W139 CarbonylContact O-C 3.54Å; T120-W139 VanDerWaalsContact O-CA 3.28Å; T120-W139 WeakPolarHBondContact O-CA 3.41Å; T120-R140 HydrophobicContact CG2-CG 4.47Å; T120-R140 VanDerWaalsContact CG2-CZ 3.41Å; T120-R140 PolarHBondContact N-O 2.75Å; T120-R140 PolarHBondContact O-N 3.07Å; T120-R140 PolarHBondContact OG1-NE 2.95Å |
| 121 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | K40 V42 W106 F109 L115 F123 I137 D138 | K40-V121 PolarHBondContact N-O 2.87Å; K40-V121 PolarHBondContact O-N 2.84Å; V42-V121 HydrophobicContact CG2-CG2 3.64Å; W106-V121 HydrophobicContact CH2-CG2 4.15Å; W106-V121 HydrophobicContact CZ3-CG2 4.33Å; F109-V121 HydrophobicContact CE1-CG1 4.48Å; F109-V121 HydrophobicContact CE1-CG2 4.42Å; L115-V121 HydrophobicContact CD1-CG2 3.85Å; V121-F123 HydrophobicContact CB-CE2 4.29Å; V121-F123 HydrophobicContact CG1-CD2 4.28Å; V121-F123 HydrophobicContact CG1-CE1 4.43Å; V121-F123 HydrophobicContact CG1-CE2 3.59Å; V121-F123 HydrophobicContact CG1-CZ 3.68Å; V121-I137 HydrophobicContact CG1-CD1 3.67Å; V121-I137 HydrophobicContact CG1-CG1 3.74Å; V121-D138 WeakPolarHBondContact CA-O 3.37Å |
| 122 | S | 98 | Very high | 93.8 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.7 | -179 | -63.4 | 0 | 0 | 0 | 0 | 109.8 | D39 I137 D138 | D39-S122 VanDerWaalsContact OD1-CB 3.25Å; D39-S122 WeakPolarHBondContact OD1-CB 3.33Å; D39-S122 PolarHBondContact OD1-OG 2.98Å; S122-I137 WeakPolarHBondContact O-CA 3.48Å; S122-D138 PolarHBondContact N-O 2.88Å; S122-D138 PolarHBondContact O-N 2.88Å |
| 123 | F | 98.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.4 | 177.7 | -64.6 | -89 | 0 | 0 | 0 | 110 | M37 F38 L53 F79 M102 V121 F136 I137 | M37-F123 WeakPolarHBondContact CB-O 3.37Å; M37-F123 PolarHBondContact N-O 3.13Å; F38-F123 HydrophobicContact CD1-CB 4.2Å; F38-F123 AromaticContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CD2-CD2 3.98Å; F38-F123 HydrophobicContact CE1-CB 3.8Å; F38-F123 HydrophobicContact CE1-CD2 4.07Å; F38-F123 HydrophobicContact CE1-CG 4.05Å; F38-F123 HydrophobicContact CE2-CB 4.47Å; F38-F123 AromaticContact CE2-CD2 3.28Å; F38-F123 HydrophobicContact CE2-CD2 3.28Å; F38-F123 AromaticContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CE2 3.73Å; F38-F123 HydrophobicContact CE2-CG 4.09Å; F38-F123 HydrophobicContact CZ-CB 3.95Å; F38-F123 AromaticContact CZ-CD2 3.33Å; F38-F123 HydrophobicContact CZ-CD2 3.33Å; F38-F123 AromaticContact CZ-CE2 3.91Å; F38-F123 HydrophobicContact CZ-CE2 3.91Å; F38-F123 AromaticContact CZ-CG 3.67Å; F38-F123 HydrophobicContact CZ-CG 3.67Å; F38-F123 PolarHBondContact N-O 3.41Å; F38-F123 PolarHBondContact O-N 3.18Å; L53-F123 HydrophobicContact CD2-CE2 4.14Å; L53-F123 HydrophobicContact CD2-CZ 3.64Å; F79-F123 AromaticContact CD1-CD1 3.99Å; F79-F123 HydrophobicContact CD1-CD1 3.99Å; F79-F123 AromaticContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CD1 3.53Å; F79-F123 HydrophobicContact CE1-CE1 4.18Å; F79-F123 AromaticContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CD1 3.89Å; F79-F123 HydrophobicContact CZ-CE1 4.18Å; M102-F123 HydrophobicContact CE-CE1 4.15Å; M102-F123 HydrophobicContact SD-CE1 4.02Å; M102-F123 HydrophobicContact SD-CZ 4.28Å; V121-F123 HydrophobicContact CB-CE2 4.29Å; V121-F123 HydrophobicContact CG1-CD2 4.28Å; V121-F123 HydrophobicContact CG1-CE1 4.43Å; V121-F123 HydrophobicContact CG1-CE2 3.59Å; V121-F123 HydrophobicContact CG1-CZ 3.68Å; F123-F136 WeakPolarHBondContact CA-O 3.41Å; F123-I137 HydrophobicContact CE1-CD1 3.83Å; F123-I137 HydrophobicContact CE1-CG1 4.26Å; F123-I137 HydrophobicContact CZ-CD1 4.15Å |
| 124 | G | 96.7 | Very high | 93.4 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 168 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E35 L135 F136 | E35-G124 CarbonylContact O-C 3.55Å; E35-G124 WeakPolarHBondContact O-CA 3.46Å; G124-L135 CarbonylContact O-C 3.12Å; G124-L135 WeakPolarHBondContact O-CA 3.28Å; G124-F136 PolarHBondContact N-O 2.96Å; G124-F136 PolarHBondContact O-N 2.92Å |
| 125 | R | 95.4 | Very high | 93.4 | Very high | 107 Ų | 107 | 50.7 Ų | 50.7 | 40% | 0.404 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152.3 | 174.5 | 65.3 | -179.7 | -174.8 | -168.3 | -2 | 110.6 | K34 E35 M37 R134 L135 | K34-R125 CarbonylContact C-O 3.6Å; K34-R125 WeakPolarHBondContact CA-O 3.36Å; E35-R125 HydrophobicContact CB-CG 4.04Å; E35-R125 VanDerWaalsContact CD-NE 3.31Å; E35-R125 PolarHBondContact N-O 2.76Å; E35-R125 PolarHBondContact O-N 2.95Å; E35-R125 IonicContact OE1-CZ 3.45Å; E35-R125 IonicContact OE1-NE 3.56Å; E35-R125 IonicContact OE1-NH2 2.76Å; E35-R125 PolarHBondContact OE1-NH2 2.85Å; E35-R125 IonicContact OE2-CZ 3.12Å; E35-R125 IonicContact OE2-NE 2.73Å; E35-R125 PolarHBondContact OE2-NE 2.86Å; E35-R125 IonicContact OE2-NH2 2.71Å; E35-R125 PolarHBondContact OE2-NH2 3.41Å; M37-R125 HydrophobicContact CG-CB 4.43Å; M37-R125 HydrophobicContact CG-CG 4.21Å; M37-R125 HydrophobicContact SD-CB 3.75Å; M37-R125 HydrophobicContact SD-CG 4.14Å; R125-R134 CarbonylContact C-O 3.5Å; R125-R134 WeakPolarHBondContact CA-O 3.3Å; R125-L135 HydrophobicContact CB-CD2 4.16Å |
| 126 | G | 94.2 | Very high | 93.4 | Very high | 10 Ų | 10 | 51 Ų | 51 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R134 | G126-R134 PolarHBondContact N-O 3.29Å |
| 127 | V | 91.5 | Very high | 93.4 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | trans | -103.6 | 143.2 | 172.1 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | E33 E35 | E33-V127 HydrophobicContact CB-CB 4.06Å; E33-V127 PolarHBondContact O-N 3.02Å; E35-V127 HydrophobicContact CB-CG2 3.42Å; E35-V127 VanDerWaalsContact CB-CG2 3.42Å | ||
| 128 | G | 87.6 | Confident | 93.5 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 89.9 | 163.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A130 A131 R132 | G128-A130 VanDerWaalsContact C-N 3.29Å; G128-A130 PolarHBondContact O-N 3.15Å; G128-A131 PolarHBondContact O-N 2.72Å; G128-R132 PolarHBondContact O-N 3.12Å; G128-R132 VanDerWaalsContact O-N 3.07Å |
| 129 | E | 84.7 | Confident | 93.5 | Very high | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -60.2 | -38.1 | -175.3 | -73.4 | -61.9 | 119.9 | 0 | 0 | 112.4 | A131 R132 | E129-A131 PolarHBondContact O-N 3.5Å; E129-R132 IonicContact OE1-NH1 3.6Å |
| 130 | A | 81.1 | Confident | 93.5 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 83% | 0.826 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -67.8 | -20.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G128 | G128-A130 VanDerWaalsContact C-N 3.29Å; G128-A130 PolarHBondContact O-N 3.15Å |
| 131 | A | 86.1 | Confident | 93.3 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -121.6 | 5.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V32 G128 E129 G133 R134 | V32-A131 HydrophobicContact CB-CB 4.49Å; V32-A131 HydrophobicContact CG1-CB 3.3Å; V32-A131 HydrophobicContact CG2-CB 4.44Å; G128-A131 PolarHBondContact O-N 2.72Å; E129-A131 PolarHBondContact O-N 3.5Å; A131-G133 PolarHBondContact O-N 3.41Å; A131-R134 WeakPolarHBondContact O-CB 3.44Å; A131-R134 PolarHBondContact O-N 2.8Å |
| 132 | R | 85.4 | Confident | 92.9 | Very high | 191 Ų | 191 | 65.1 Ų | 65.1 | 72% | 0.721 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 124.9 | -179.9 | -168.3 | 173.3 | 178.1 | 177.3 | -3 | 110.2 | G128 E129 R134 | G128-R132 PolarHBondContact O-N 3.12Å; G128-R132 VanDerWaalsContact O-N 3.07Å; E129-R132 IonicContact OE1-NH1 3.6Å; R132-R134 VanDerWaalsContact C-N 3.33Å; R132-R134 PolarHBondContact O-N 3.47Å |
| 133 | G | 88.8 | Confident | 92 | Very high | 73 Ų | 73 | 69.5 Ų | 69.5 | 75% | 0.753 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -6.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A131 | A131-G133 PolarHBondContact O-N 3.41Š|
| 134 | R | 94.8 | Very high | 90.9 | Very high | 88 Ų | 88 | 76.4 Ų | 76.4 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | trans | -77.8 | 136.1 | 171 | -66.7 | 174.1 | 69.8 | -171 | -1.4 | 110 | E80 R125 G126 A131 R132 F136 | E80-R134 IonicContact OE1-CZ 3.55Å; E80-R134 IonicContact OE1-NE 3.07Å; E80-R134 PolarHBondContact OE1-NE 2.9Å; E80-R134 IonicContact OE1-NH2 2.76Å; E80-R134 PolarHBondContact OE1-NH2 3.44Å; E80-R134 IonicContact OE2-CZ 2.82Å; E80-R134 IonicContact OE2-NE 3.65Å; E80-R134 IonicContact OE2-NH2 2.76Å; E80-R134 PolarHBondContact OE2-NH2 3.12Å; R125-R134 CarbonylContact C-O 3.5Å; R125-R134 WeakPolarHBondContact CA-O 3.3Å; G126-R134 PolarHBondContact N-O 3.29Å; A131-R134 WeakPolarHBondContact O-CB 3.44Å; A131-R134 PolarHBondContact O-N 2.8Å; R132-R134 VanDerWaalsContact C-N 3.33Å; R132-R134 PolarHBondContact O-N 3.47Å; R134-F136 HydrophobicContact CB-CE2 4.03Å; R134-F136 HydrophobicContact CB-CZ 4.02Å | ||
| 135 | L | 96.9 | Very high | 89.8 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 14% | 0.136 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147 | 175.9 | -56.7 | 172.7 | 0 | 0 | 0 | 109.2 | M37 F64 L77 F79 E80 G124 R125 | M37-L135 HydrophobicContact SD-CD2 4.45Å; F64-L135 HydrophobicContact CE1-CD1 4.19Å; F64-L135 HydrophobicContact CE1-CD2 4.44Å; L77-L135 HydrophobicContact CB-CD1 4.2Å; L77-L135 HydrophobicContact CD2-CD1 3.94Å; L77-L135 HydrophobicContact CG-CD1 4.5Å; F79-L135 CarbonylContact C-O 3.48Å; F79-L135 VanDerWaalsContact CA-O 3.32Å; F79-L135 WeakPolarHBondContact CA-O 3.42Å; F79-L135 HydrophobicContact CD1-CB 3.39Å; F79-L135 HydrophobicContact CD1-CD1 4.41Å; F79-L135 HydrophobicContact CD1-CG 4.49Å; F79-L135 HydrophobicContact CE1-CB 3.52Å; F79-L135 HydrophobicContact CE1-CD1 3.88Å; F79-L135 HydrophobicContact CE1-CG 4.2Å; F79-L135 HydrophobicContact CE2-CD1 4.34Å; F79-L135 HydrophobicContact CG-CB 4.06Å; F79-L135 HydrophobicContact CZ-CB 4.29Å; F79-L135 HydrophobicContact CZ-CD1 3.84Å; E80-L135 PolarHBondContact N-O 2.87Å; G124-L135 CarbonylContact O-C 3.12Å; G124-L135 WeakPolarHBondContact O-CA 3.28Å; R125-L135 HydrophobicContact CB-CD2 4.16Å |
| 136 | F | 97.3 | Very high | 88.6 | Confident | 12 Ų | 12 | 80.8 Ų | 80.8 | 5% | 0.053 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.2 | -176.9 | -61.9 | -78.6 | 0 | 0 | 0 | 110.9 | V32 K34 E80 F123 G124 R134 | V32-F136 HydrophobicContact CG1-CE2 4.02Å; V32-F136 HydrophobicContact CG1-CZ 3.8Å; K34-F136 HydrophobicContact CB-CD2 4.37Å; K34-F136 HydrophobicContact CD-CB 4.16Å; K34-F136 HydrophobicContact CD-CD1 3.96Å; K34-F136 HydrophobicContact CD-CD2 3.82Å; K34-F136 HydrophobicContact CD-CE1 4.33Å; K34-F136 HydrophobicContact CD-CE2 4.2Å; K34-F136 HydrophobicContact CD-CG 3.69Å; K34-F136 HydrophobicContact CD-CZ 4.44Å; K34-F136 VanDerWaalsContact CE-CD1 3.5Å; K34-F136 HydrophobicContact CG-CD2 3.71Å; K34-F136 HydrophobicContact CG-CE2 3.82Å; K34-F136 HydrophobicContact CG-CG 4.13Å; K34-F136 HydrophobicContact CG-CZ 4.33Å; E80-F136 HydrophobicContact CB-CD1 3.88Å; E80-F136 HydrophobicContact CB-CE1 4.03Å; E80-F136 CarbonylContact O-C 3.48Å; E80-F136 VanDerWaalsContact O-CA 3.27Å; E80-F136 WeakPolarHBondContact O-CA 3.28Å; F123-F136 WeakPolarHBondContact CA-O 3.41Å; G124-F136 PolarHBondContact N-O 2.96Å; G124-F136 PolarHBondContact O-N 2.92Å; R134-F136 HydrophobicContact CB-CE2 4.03Å; R134-F136 HydrophobicContact CB-CZ 4.02Å |
| 137 | I | 98.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 85.8 Ų | 85.8 | 2% | 0.015 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.6 | 175.3 | -173.7 | 167.6 | 0 | 0 | 0 | 110.1 | F79 E80 D81 F89 F109 V121 S122 F123 | F79-I137 HydrophobicContact CB-CB 3.88Å; F79-I137 HydrophobicContact CB-CG2 3.64Å; F79-I137 HydrophobicContact CD1-CB 4.35Å; F79-I137 HydrophobicContact CG-CB 4.33Å; E80-I137 PolarHBondContact O-N 2.81Å; D81-I137 VanDerWaalsContact CA-O 3.32Å; D81-I137 WeakPolarHBondContact CA-O 3.36Å; D81-I137 HydrophobicContact CB-CG2 4.17Å; F89-I137 HydrophobicContact CE2-CD1 3.72Å; F89-I137 HydrophobicContact CZ-CD1 4.05Å; F109-I137 HydrophobicContact CD1-CD1 4.19Å; F109-I137 HydrophobicContact CE1-CD1 3.63Å; F109-I137 HydrophobicContact CE1-CG1 4.23Å; F109-I137 HydrophobicContact CE2-CD1 4.05Å; F109-I137 HydrophobicContact CE2-CG1 4.32Å; F109-I137 HydrophobicContact CE2-CG2 4.12Å; F109-I137 HydrophobicContact CZ-CD1 3.57Å; F109-I137 HydrophobicContact CZ-CG1 3.77Å; F109-I137 HydrophobicContact CZ-CG2 4.39Å; V121-I137 HydrophobicContact CG1-CD1 3.67Å; V121-I137 HydrophobicContact CG1-CG1 3.74Å; S122-I137 WeakPolarHBondContact O-CA 3.48Å; F123-I137 HydrophobicContact CE1-CD1 3.83Å; F123-I137 HydrophobicContact CE1-CG1 4.26Å; F123-I137 HydrophobicContact CZ-CD1 4.15Å |
| 138 | D | 97.5 | Very high | 85.8 | Confident | 62 Ų | 62 | 87.8 Ų | 87.8 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 169.9 | 170.4 | -150.1 | -19.8 | 0 | 0 | 0 | 110.3 | R82 V121 S122 | R82-D138 IonicContact CZ-OD1 2.63Å; R82-D138 IonicContact NH1-OD1 2.82Å; R82-D138 PolarHBondContact NH1-OD1 2.61Å; V121-D138 WeakPolarHBondContact CA-O 3.37Å; S122-D138 PolarHBondContact N-O 2.88Å; S122-D138 PolarHBondContact O-N 2.88Å |
| 139 | W | 97.3 | Very high | 84.2 | Confident | 30 Ų | 30 | 92.7 Ų | 92.7 | 11% | 0.114 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 141.7 | 177.8 | 68.5 | 100.3 | 0 | 0 | 0 | 111.5 | D81 R82 F109 K113 L115 T120 | D81-W139 HydrophobicContact CB-CZ3 4.05Å; R82-W139 HydrophobicContact CG-CH2 4.05Å; R82-W139 HydrophobicContact CG-CZ3 4.17Å; R82-W139 PolarHBondContact NH1-O 3.19Å; F109-W139 HydrophobicContact CE2-CE3 4.05Å; F109-W139 HydrophobicContact CE2-CZ3 4.28Å; F109-W139 HydrophobicContact CZ-CD2 4.25Å; F109-W139 AromaticContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CE3 3.65Å; F109-W139 HydrophobicContact CZ-CZ3 4.33Å; K113-W139 HydrophobicContact CB-CD2 4.08Å; K113-W139 HydrophobicContact CB-CG 4.39Å; K113-W139 HydrophobicContact CB-CZ2 4.16Å; K113-W139 HydrophobicContact CD-CD2 4.45Å; K113-W139 HydrophobicContact CD-CE3 4.45Å; K113-W139 HydrophobicContact CD-CH2 3.47Å; K113-W139 VanDerWaalsContact CD-CH2 3.47Å; K113-W139 HydrophobicContact CD-CZ2 3.4Å; K113-W139 VanDerWaalsContact CD-CZ2 3.4Å; K113-W139 HydrophobicContact CD-CZ3 4Å; K113-W139 HydrophobicContact CG-CD2 3.95Å; K113-W139 HydrophobicContact CG-CE3 4.08Å; K113-W139 HydrophobicContact CG-CH2 4Å; K113-W139 HydrophobicContact CG-CZ2 3.82Å; K113-W139 HydrophobicContact CG-CZ3 4.11Å; L115-W139 HydrophobicContact CD2-CB 3.75Å; L115-W139 HydrophobicContact CD2-CG 3.8Å; T120-W139 CarbonylContact O-C 3.54Å; T120-W139 VanDerWaalsContact O-CA 3.28Å; T120-W139 WeakPolarHBondContact O-CA 3.41Å |
| 140 | R | 96.8 | Very high | 83 | Confident | 122 Ų | 122 | 91.7 Ų | 91.7 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140 | 172.1 | 61.3 | 176.7 | -178.4 | -105.6 | 9 | 110.1 | D39 T120 | D39-R140 IonicContact OD1-NH1 2.72Å; D39-R140 IonicContact OD2-CZ 3.66Å; D39-R140 VanDerWaalsContact OD2-CZ 3.25Å; D39-R140 IonicContact OD2-NH1 3.88Å; D39-R140 PolarHBondContact OD2-NH1 3.24Å; D39-R140 IonicContact OD2-NH2 3.78Å; D39-R140 PolarHBondContact OD2-NH2 3.41Å; T120-R140 HydrophobicContact CG2-CG 4.47Å; T120-R140 VanDerWaalsContact CG2-CZ 3.41Å; T120-R140 PolarHBondContact N-O 2.75Å; T120-R140 PolarHBondContact O-N 3.07Å; T120-R140 PolarHBondContact OG1-NE 2.95Å |
| 141 | R | 95.6 | Very high | 81.4 | Confident | 110 Ų | 110 | 94 Ų | 94 | 42% | 0.415 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 144.8 | 171.3 | -65.3 | -65.7 | -175.1 | 172.9 | 2.9 | 109.5 | K113 R114 D116 D119 | K113-R141 PolarHBondContact O-NH2 3.37Å; K113-R141 VanDerWaalsContact O-NH2 3.15Å; R114-R141 PolarHBondContact O-NH1 3.03Å; R114-R141 PolarHBondContact O-NH2 3.41Å; D116-R141 IonicContact OD2-NH1 3.79Å; D116-R141 PolarHBondContact OD2-NH1 3.25Å; D119-R141 VanDerWaalsContact OD1-CA 3.28Å; D119-R141 WeakPolarHBondContact OD1-CA 3.42Å; D119-R141 WeakPolarHBondContact OD2-CD 3.39Å; D119-R141 IonicContact OD2-CZ 3.68Å; D119-R141 IonicContact OD2-NE 3.25Å; D119-R141 IonicContact OD2-NH1 3.36Å; D119-R141 PolarHBondContact OD2-NH1 2.91Å |
| 142 | R | 89.1 | Confident | 79.6 | Confident | 145 Ų | 145 | 102.2 Ų | 102.2 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 129.3 | 164.1 | 177.3 | 174.4 | -71.6 | -154.1 | -2.5 | 108.4 | G118 D119 D144 | G118-R142 PolarHBondContact O-NE 2.91Å; D119-R142 PolarHBondContact OD1-N 3.44Å; R142-D144 PolarHBondContact O-N 3.44Å |
| 143 | P | 79.4 | Confident | 77.7 | Confident | 113 Ų | 113 | 99.3 Ų | 99.3 | 73% | 0.734 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 129.7 | 166.9 | -19.8 | 31.8 | 0 | 0 | 0 | 108.3 | ||
| 144 | D | 75 | Confident | 75.9 | Confident | 146 Ų | 146 | 103 Ų | 103 | 78% | 0.781 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 135.1 | 174 | -69.7 | -44.9 | 0 | 0 | 0 | 108.4 | R142 | R142-D144 PolarHBondContact O-N 3.44Š|
| 145 | P | 72.1 | Confident | 73.6 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 135.7 | 172.9 | 23.6 | -31.6 | 0 | 0 | 0 | 106.9 | V147 | P145-V147 PolarHBondContact O-N 3.2Š|
| 146 | P | 71.4 | Confident | 71.3 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 71% | 0.714 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 125.3 | 173.6 | 22.6 | -31.5 | 0 | 0 | 0 | 105.8 | V148 | P146-V148 PolarHBondContact O-N 2.89Š|
| 147 | V | 65.5 | Low | 69.5 | Low | 115 Ų | 115 | 122.8 Ų | 122.8 | 70% | 0.697 | 59% | 0.591 | S | S | * | * | trans | -63.1 | 87.3 | 174.2 | -176.6 | 0 | 0 | 0 | 0 | 105.1 | P145 H149 | P145-V147 PolarHBondContact O-N 3.2Å; V147-H149 PolarHBondContact O-N 3.35Å; V147-H149 PolarHBondContact O-ND1 2.63Å | ||
| 148 | V | 60.4 | Low | 67.3 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | trans | -65.9 | 91.8 | 162.1 | -170.7 | 0 | 0 | 0 | 0 | 101.8 | P146 H150 | P146-V148 PolarHBondContact O-N 2.89Å; V148-H150 WeakPolarHBondContact CG1-ND1 3.44Å; V148-H150 PolarHBondContact O-N 3.33Å; V148-H150 PolarHBondContact O-ND1 3.32Å | ||
| 149 | H | 55.7 | Low | 65.5 | Low | 150 Ų | 150 | 133.2 Ų | 133.2 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | trans | -54 | 92.9 | 153.4 | -72.2 | 75.7 | 0 | 0 | 0 | 103 | V147 Q151 | V147-H149 PolarHBondContact O-N 3.35Å; V147-H149 PolarHBondContact O-ND1 2.63Å; H149-Q151 PolarHBondContact O-N 3.18Å | ||
| 150 | H | 59.2 | Low | 63.5 | Low | 132 Ų | 132 | 137.6 Ų | 137.6 | 61% | 0.611 | 69% | 0.685 | S | S | * | * | trans | -61.9 | 84.2 | 153.8 | -80 | 68.8 | 0 | 0 | 0 | 102.6 | V148 Y152 | V148-H150 WeakPolarHBondContact CG1-ND1 3.44Å; V148-H150 PolarHBondContact O-N 3.33Å; V148-H150 PolarHBondContact O-ND1 3.32Å; H150-Y152 HydrophobicContact CB-CD2 4.16Å; H150-Y152 HydrophobicContact CB-CE2 4.01Å; H150-Y152 WeakPolarHBondContact O-CD2 3.18Å; H150-Y152 PolarHBondContact O-N 3.13Å | ||
| 151 | Q | 47 | Very low | 61.3 | Low | 149 Ų | 149 | 138 Ų | 138 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | trans | -54.5 | 90.1 | 143 | -78.2 | -175.4 | -29.7 | 0 | 0 | 102.9 | H149 H153 | H149-Q151 PolarHBondContact O-N 3.18Å; Q151-H153 PolarHBondContact O-N 2.79Å | ||
| 152 | Y | 48.9 | Very low | 59.5 | Low | 173 Ų | 173 | 136.8 Ų | 136.8 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | -55.1 | 86 | 146.9 | -66.9 | -83.5 | 0 | 0 | 0 | 103.7 | H150 H154 | H150-Y152 HydrophobicContact CB-CD2 4.16Å; H150-Y152 HydrophobicContact CB-CE2 4.01Å; H150-Y152 WeakPolarHBondContact O-CD2 3.18Å; H150-Y152 PolarHBondContact O-N 3.13Å; Y152-H154 PolarHBondContact O-N 3.22Å | ||
| 153 | H | 45.5 | Very low | 57.9 | Low | 130 Ų | 130 | 136.4 Ų | 136.4 | 60% | 0.602 | 73% | 0.734 | S | S | * | * | trans | -59.6 | 84.1 | 143.6 | -81.1 | -44.3 | 0 | 0 | 0 | 103.9 | Q151 H155 | Q151-H153 PolarHBondContact O-N 2.79Å; H153-H155 PolarHBondContact O-N 3.24Å | ||
| 154 | H | 49.5 | Very low | 57 | Low | 150 Ų | 150 | 136.6 Ų | 136.6 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | trans | -54.5 | 90.6 | 148.5 | -66.9 | -71.4 | 0 | 0 | 0 | 104 | Y152 R156 | Y152-H154 PolarHBondContact O-N 3.22Å; H154-R156 PolarHBondContact O-N 2.91Å | ||
| 155 | H | 48 | Very low | 56 | Low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -60.8 | 85.4 | 156.4 | -64.9 | -54.6 | 0 | 0 | 0 | 104.6 | H153 L157 | H153-H155 PolarHBondContact O-N 3.24Å; H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 2.93Å | ||
| 156 | R | 48.3 | Very low | 55.5 | Low | 234 Ų | 234 | 140.6 Ų | 140.6 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | -59.6 | 99.9 | 163.9 | -96.2 | -169 | 166.9 | -177.3 | -2.6 | 104.7 | H154 | H154-R156 PolarHBondContact O-N 2.91Š| ||
| 157 | L | 59.1 | Low | 54.6 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -53.1 | 129.1 | 166 | -63.6 | 172.2 | 0 | 0 | 0 | 107.3 | H155 L159 | H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 2.93Å; L157-L159 PolarHBondContact O-N 2.83Å; L157-L159 VanDerWaalsContact O-N 3.16Å | ||
| 158 | P | 52 | Low | 54.2 | Low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -68.4 | 114.8 | 175.6 | 27 | -29.2 | 0 | 0 | 0 | 107.9 | ||||
| 159 | L | 59.1 | Low | 54.2 | Low | 162 Ų | 162 | 144.1 Ų | 144.1 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -61.9 | 132.6 | 168.2 | -78.1 | 154 | 0 | 0 | 0 | 108.5 | L157 S161 | L157-L159 PolarHBondContact O-N 2.83Å; L157-L159 VanDerWaalsContact O-N 3.16Å; L159-S161 PolarHBondContact O-N 3.15Å | ||
| 160 | P | 56.7 | Low | 53.7 | Low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -70.7 | 118.9 | 173.6 | 28 | -31.1 | 0 | 0 | 0 | 109.7 | A162 | P160-A162 PolarHBondContact O-N 3.44Š| ||
| 161 | S | 50.5 | Low | 53.2 | Low | 130 Ų | 130 | 139.9 Ų | 139.9 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -68.8 | 106 | 165.2 | -68.3 | 0 | 0 | 0 | 0 | 109.9 | L159 | L159-S161 PolarHBondContact O-N 3.15Š| ||
| 162 | A | 56.6 | Low | 53.2 | Low | 85 Ų | 85 | 137 Ų | 137 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -156.8 | 97.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | P160 | P160-A162 PolarHBondContact O-N 3.44Š| ||
| 163 | V | 55.5 | Low | 53 | Low | 138 Ų | 138 | 132.8 Ų | 132.8 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | 59.3 | 106.6 | 96.5 | 178.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 164 | V | 61.9 | Low | 53.1 | Low | 117 Ų | 117 | 135.3 Ų | 135.3 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | 166.3 | 115.5 | 120.5 | 170.1 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 165 | P | 53.7 | Low | 52.9 | Low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | trans | -92.8 | 120.9 | 156.9 | 32.5 | -21.8 | 0 | 0 | 0 | 108.6 | ||||
| 166 | Y | 60.9 | Low | 52.9 | Low | 197 Ų | 197 | 131.9 Ų | 131.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -119.7 | 101.2 | 166 | -168.7 | -98.1 | 0 | 0 | 0 | 108.6 | P168 | Y166-P168 HydrophobicContact CD1-CG 4.24Å; Y166-P168 HydrophobicContact CE1-CB 3.86Å; Y166-P168 HydrophobicContact CE1-CG 3.87Å | ||
| 167 | A | 53.4 | Low | 53 | Low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -97.1 | 130.2 | 163 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 168 | P | 56.8 | Low | 52.4 | Low | 74 Ų | 74 | 127.8 Ų | 127.8 | 48% | 0.481 | 76% | 0.76 | S | S | . | * | trans | -110.4 | 138.6 | 162.2 | 35.6 | -24.4 | 0 | 0 | 0 | 110.6 | Y166 | Y166-P168 HydrophobicContact CD1-CG 4.24Å; Y166-P168 HydrophobicContact CE1-CB 3.86Å; Y166-P168 HydrophobicContact CE1-CG 3.87Å | ||
| 169 | W | 59.5 | Low | 52 | Low | 228 Ų | 228 | 129.1 Ų | 129.1 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | 60.1 | 112.5 | 152.1 | 82.8 | -76.9 | 0 | 0 | 0 | 118.5 | ||||
| 170 | A | 46.6 | Very low | 51.4 | Low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | 78.2 | 132.4 | 40.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 171 | A | 47.1 | Very low | 51.5 | Low | 104 Ų | 104 | 130.5 Ų | 130.5 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | 88.8 | 134.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 172 | A | 46.6 | Very low | 51.3 | Low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | cis | -168.5 | 130.2 | -3.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 173 | A | 44.7 | Very low | 50.9 | Low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | 74.3 | 149 | 98.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 174 | H | 47.9 | Very low | 50.4 | Low | 182 Ų | 182 | 127.4 Ų | 127.4 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 96.2 | 94 | 177.4 | -54.5 | -69.8 | 0 | 0 | 0 | 115.3 | ||||
| 175 | A | 46.3 | Very low | 49.7 | Very low | 78 Ų | 78 | 129 Ų | 129 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | 82 | 116.8 | 63.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 176 | H | 48.6 | Very low | 48.9 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 164.8 | 131.3 | 112.9 | -91 | -77.6 | 0 | 0 | 0 | 113.2 | |||||
| 177 | H | 48.5 | Very low | 48 | Very low | 137 Ų | 137 | 121.8 Ų | 121.8 | 63% | 0.634 | 76% | 0.763 | S | S | * | * | trans | 26.2 | 148.1 | 151.1 | -54 | -67.6 | 0 | 0 | 0 | 122.8 | ||||
| 178 | H | 47.2 | Very low | 47.6 | Very low | 160 Ų | 160 | 121.7 Ų | 121.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | cis | -161.6 | 134.6 | 45 | -93.8 | -83.3 | 0 | 0 | 0 | 110.9 | ||||
| 179 | H | 43.8 | Very low | 46.9 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 50.4 | 137.6 | 111.5 | -83.7 | 54.8 | 0 | 0 | 0 | 117.8 | |||||
| 180 | Y | 47.4 | Very low | 46.2 | Very low | 199 Ų | 199 | 125.5 Ų | 125.5 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | cis | -177.4 | -178.2 | -15.2 | -121.8 | -44.1 | 0 | 0 | 0 | 106.8 | ||||
| 181 | P | 57.2 | Low | 46.7 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -122 | 176.2 | -123.4 | 44 | -28.9 | 0 | 0 | 0 | 115.9 | |||||
| 182 | A | 47.4 | Very low | 46.5 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -161 | 124.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 183 | A | 47.2 | Very low | 47 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 45.2 | 131.1 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 184 | G | 44.9 | Very low | 47 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 166.8 | 100.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 185 | V | 47.5 | Very low | 46.7 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 92% | 0.915 | 79% | 0.788 | S | S | * | * | trans | -93.1 | 135.3 | -165.4 | -160.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 186 | G | 36.5 | Very low | 47.3 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 86.3 | 111.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 187 | A | 42.3 | Very low | 46.9 | Very low | 103 Ų | 103 | 130 Ų | 130 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -167.8 | 146.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 188 | A | 45.5 | Very low | 47.1 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 79.5 | 99 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 189 | R | 42.7 | Very low | 46.6 | Very low | 235 Ų | 235 | 128.3 Ų | 128.3 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | 70.9 | 104 | 80.9 | -77 | 179 | 97.3 | -171.1 | 7.4 | 113.9 | |||||
| 190 | T | 43.9 | Very low | 47.3 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -132.1 | 114 | 155.7 | 25.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 191 | T | 57.6 | Low | 47.1 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -88.1 | 127.8 | 171.7 | 40.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 192 | T | 43.6 | Very low | 46.5 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -79.3 | 145.1 | 170 | 40.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 193 | T | 55.6 | Low | 46.6 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -140.1 | 117.1 | 164.1 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 194 | T | 46.4 | Very low | 46.7 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -79.8 | 132.4 | -177.1 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 195 | T | 41.6 | Very low | 46.7 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -94.5 | 120.6 | 172.4 | -44.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 196 | T | 57.7 | Low | 46.6 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | -111.3 | 120.7 | 172.6 | -66.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 197 | T | 41 | Very low | 46.9 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -80.2 | 133.6 | 174.7 | -49 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 198 | V | 51.2 | Low | 47.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | trans | -134.7 | 116.8 | 160.5 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 199 | L | 37.8 | Very low | 46.8 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 141.6 | 168.4 | -93 | 106.8 | 0 | 0 | 0 | 110.9 | ||||
| 200 | H | 58.7 | Low | 46.8 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -146 | 102.5 | 149.8 | -84 | -69.8 | 0 | 0 | 0 | 111.9 | ||||
| 201 | H | 43.9 | Very low | 46.4 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 63% | 0.625 | 77% | 0.769 | S | S | * | * | trans | 7.6 | 127.1 | 140.8 | 60.9 | 12.5 | 0 | 0 | 0 | 121.7 | ||||
| 202 | L | 44.3 | Very low | 45.6 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | 104.5 | 160 | 106.3 | -82.7 | 168 | 0 | 0 | 0 | 113.4 | |||||
| 203 | P | 47.8 | Very low | 45.4 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -134.5 | -172.9 | -21.7 | 32.7 | -9.2 | 0 | 0 | 0 | 114.1 | ||||
| 204 | P | 51 | Low | 44.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -115.3 | 171.3 | -150 | 42.8 | -34.4 | 0 | 0 | 0 | 118.7 | ||||
| 205 | S | 44.7 | Very low | 44 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 79.7 | 166.1 | 148.2 | -144.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 206 | P | 45 | Very low | 44 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | cis | -129.4 | 160.4 | -22.1 | 13.8 | 11.4 | 0 | 0 | 0 | 114.6 | ||||
| 207 | S | 43.4 | Very low | 42.9 | Very low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -77.8 | 160.7 | 154.8 | -42 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 208 | P | 46.7 | Very low | 43.1 | Very low | 111 Ų | 111 | 152 Ų | 152 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -155.4 | 160.3 | 76 | 32.2 | -8.1 | 0 | 0 | 0 | 117.8 | |||||
| 209 | L | 38.4 | Very low | 42.6 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 51.5 | 113.8 | 140.3 | -57.9 | 172.1 | 0 | 0 | 0 | 120.4 | ||||
| 210 | Y | 43.4 | Very low | 42.8 | Very low | 233 Ų | 233 | 152.3 Ų | 152.3 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | -147.5 | 125.3 | 126 | -128.2 | -92.7 | 0 | 0 | 0 | 111 | |||||
| 211 | L | 34.7 | Very low | 42.2 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -79.6 | 128.3 | 174.4 | -171.3 | 81.9 | 0 | 0 | 0 | 107.6 | ||||
| 212 | D | 40.2 | Very low | 42.2 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -155.1 | 156.9 | 141.3 | -149.2 | 14.6 | 0 | 0 | 0 | 113.9 | ||||
| 213 | T | 40.9 | Very low | 42.3 | Very low | 98 Ų | 98 | 154 Ų | 154 | 60% | 0.601 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 154.2 | -148.8 | 36.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 214 | R | 34 | Very low | 42 | Very low | 230 Ų | 230 | 152 Ų | 152 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | 63.7 | 101 | 137.6 | -75.7 | -176 | 173.1 | -145.7 | 1.3 | 117.7 | ||||
| 215 | R | 37.3 | Very low | 41.8 | Very low | 240 Ų | 240 | 151.7 Ų | 151.7 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | -166.7 | 113.9 | 121.6 | -116.9 | 174.7 | 172.2 | -162.9 | -1.2 | 113.9 | |||||
| 216 | R | 41.2 | Very low | 41.7 | Very low | 233 Ų | 233 | 149.5 Ų | 149.5 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 40.7 | 102.1 | 142.6 | -62.6 | -162.1 | 173.3 | -162.9 | -1.5 | 118.7 | V218 | R216-V218 PolarHBondContact O-N 2.9Š| ||
| 217 | H | 35.7 | Very low | 41.7 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | -22.1 | 112 | 143.7 | -104.3 | -113.7 | 0 | 0 | 0 | 114.4 | ||||
| 218 | V | 44.9 | Very low | 41.8 | Very low | 112 Ų | 112 | 157.2 Ų | 157.2 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | trans | -139.9 | 97.9 | 142.1 | 179.9 | 0 | 0 | 0 | 0 | 105.2 | R216 Y220 | R216-V218 PolarHBondContact O-N 2.9Å; V218-Y220 HydrophobicContact CG1-CD1 4.16Å; V218-Y220 HydrophobicContact CG1-CE1 4.08Å | ||
| 219 | G | 40 | Very low | 41.9 | Very low | 69 Ų | 69 | 159.7 Ų | 159.7 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -80.2 | 128.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 220 | Y | 42 | Very low | 42.5 | Very low | 201 Ų | 201 | 159.2 Ų | 159.2 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | -115.7 | 113.1 | 161.2 | 13.3 | -92.6 | 0 | 0 | 0 | 106.3 | V218 A222 | V218-Y220 HydrophobicContact CG1-CD1 4.16Å; V218-Y220 HydrophobicContact CG1-CE1 4.08Å; Y220-A222 PolarHBondContact O-N 3.49Å | ||
| 221 | D | 46.9 | Very low | 43 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -57.8 | 127.8 | -179.1 | -65.4 | -51.8 | 0 | 0 | 0 | 111.2 | ||||
| 222 | A | 43.3 | Very low | 44.3 | Very low | 98 Ų | 98 | 156 Ų | 156 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 121.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y220 G224 | Y220-A222 PolarHBondContact O-N 3.49Å; A222-G224 PolarHBondContact O-N 3.43Å | ||
| 223 | Y | 46.8 | Very low | 44.7 | Very low | 233 Ų | 233 | 159.5 Ų | 159.5 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -71.2 | 96.3 | 169.7 | -70.5 | -84.9 | 0 | 0 | 0 | 109.6 | ||||
| 224 | G | 41.6 | Very low | 45.5 | Very low | 71 Ų | 71 | 165.7 Ų | 165.7 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -72.2 | 146.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A222 | A222-G224 PolarHBondContact O-N 3.43Š| ||
| 225 | A | 45.7 | Very low | 46.7 | Very low | 111 Ų | 111 | 160.2 Ų | 160.2 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -59.3 | 144.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 226 | G | 43.7 | Very low | 47.2 | Very low | 65 Ų | 65 | 157.2 Ų | 157.2 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | 129.6 | 119.5 | 157 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 227 | T | 45.7 | Very low | 47.7 | Very low | 138 Ų | 138 | 154.8 Ų | 154.8 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | 81.7 | 102.7 | 158.4 | -24 | 0 | 0 | 0 | 0 | 116.5 | Q229 | T227-Q229 PolarHBondContact O-N 2.96Å; T227-Q229 VanDerWaalsContact O-N 3.08Å | ||
| 228 | R | 43.7 | Very low | 48.2 | Very low | 248 Ų | 248 | 153.3 Ų | 153.3 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -51.9 | 108.6 | 159.3 | -83.2 | 173.5 | 140.6 | -150.6 | -2.7 | 109.8 | ||||
| 229 | Q | 50.5 | Low | 48.3 | Very low | 163 Ų | 163 | 153.6 Ų | 153.6 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -111.4 | 120.3 | 149.9 | -86.1 | -169.8 | -8.8 | 0 | 0 | 108.4 | T227 L231 | T227-Q229 PolarHBondContact O-N 2.96Å; T227-Q229 VanDerWaalsContact O-N 3.08Å; Q229-L231 PolarHBondContact O-N 2.82Å | ||
| 230 | L | 50.4 | Low | 48.6 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -69.5 | 102.1 | 166.8 | -82.4 | 159.2 | 0 | 0 | 0 | 107.9 | F232 | L230-F232 HydrophobicContact CB-CE2 4.38Š| ||
| 231 | L | 54.2 | Low | 49 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -93.8 | 107.5 | 165.8 | -77.3 | 169.9 | 0 | 0 | 0 | 108.9 | Q229 Y233 | Q229-L231 PolarHBondContact O-N 2.82Å; L231-Y233 PolarHBondContact O-N 3.4Å | ||
| 232 | F | 60.5 | Low | 49 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -74.7 | 108.2 | 165.7 | -71.4 | -87 | 0 | 0 | 0 | 108.6 | L230 R234 | L230-F232 HydrophobicContact CB-CE2 4.38Å; F232-R234 PolarHBondContact O-N 2.67Å | ||
| 233 | Y | 48.6 | Very low | 49.8 | Very low | 220 Ų | 220 | 152.5 Ų | 152.5 | 86% | 0.863 | 81% | 0.805 | S | S | * | * | trans | -79.8 | 112.4 | 168.9 | -114.6 | -91.3 | 0 | 0 | 0 | 109.4 | L231 | L231-Y233 PolarHBondContact O-N 3.4Š| ||
| 234 | R | 59.3 | Low | 50.1 | Low | 228 Ų | 228 | 149.5 Ų | 149.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -81.1 | 122.9 | 166 | -177.8 | -179.6 | 177.9 | 127.2 | -1.4 | 107.9 | F232 H236 | F232-R234 PolarHBondContact O-N 2.67Å; R234-H236 PolarHBondContact O-N 3.17Å | ||
| 235 | P | 59.5 | Low | 50.9 | Low | 115 Ų | 115 | 153.6 Ų | 153.6 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 119.3 | 171.4 | 26.8 | -28.5 | 0 | 0 | 0 | 108.7 | Q237 | P235-Q237 PolarHBondContact O-N 2.98Š| ||
| 236 | H | 47.5 | Very low | 51.7 | Low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -75.7 | 107.4 | 167.2 | -169.1 | 73.9 | 0 | 0 | 0 | 107.5 | R234 Q238 | R234-H236 PolarHBondContact O-N 3.17Å; H236-Q238 PolarHBondContact O-N 2.95Å | ||
| 237 | Q | 51.5 | Low | 52.7 | Low | 182 Ų | 182 | 157.1 Ų | 157.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 99.7 | 174.9 | -173 | 172.7 | -2.3 | 0 | 0 | 108.3 | P235 | P235-Q237 PolarHBondContact O-N 2.98Š| ||
| 238 | Q | 46.3 | Very low | 53.6 | Low | 163 Ų | 163 | 156.4 Ų | 156.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 127.5 | 166.9 | -135.1 | -179.3 | 4.2 | 0 | 0 | 107.9 | H236 S240 | H236-Q238 PolarHBondContact O-N 2.95Å; Q238-S240 PolarHBondContact O-N 2.91Å; Q238-S240 VanDerWaalsContact O-N 3.12Å | ||
| 239 | P | 46.8 | Very low | 54.8 | Low | 118 Ų | 118 | 150.1 Ų | 150.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -76.7 | 99.9 | 174.9 | 29.2 | -29.3 | 0 | 0 | 0 | 108.6 | T241 | P239-T241 PolarHBondContact O-N 2.76Š| ||
| 240 | S | 45.4 | Very low | 55.6 | Low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 113 | 162.6 | 38.5 | 0 | 0 | 0 | 0 | 108.6 | Q238 T242 | Q238-S240 PolarHBondContact O-N 2.91Å; Q238-S240 VanDerWaalsContact O-N 3.12Å; S240-T242 PolarHBondContact O-N 3.15Å; S240-T242 VanDerWaalsContact O-N 3.14Å | ||
| 241 | T | 52.1 | Low | 56.1 | Low | 134 Ų | 134 | 153.2 Ų | 153.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -49.1 | 110.7 | 173.5 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | P239 V243 | P239-T241 PolarHBondContact O-N 2.76Å; T241-V243 PolarHBondContact O-N 3.44Å | ||
| 242 | T | 46.4 | Very low | 56.9 | Low | 123 Ų | 123 | 153.7 Ų | 153.7 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -80.6 | 111.5 | 166.6 | -66.2 | 0 | 0 | 0 | 0 | 108.2 | S240 M244 | S240-T242 PolarHBondContact O-N 3.15Å; S240-T242 VanDerWaalsContact O-N 3.14Å; T242-M244 PolarHBondContact O-N 3.44Å | ||
| 243 | V | 60.1 | Low | 57.3 | Low | 132 Ų | 132 | 150.1 Ų | 150.1 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -69.6 | 105.6 | 161.8 | -92.3 | 0 | 0 | 0 | 0 | 107.7 | T241 L245 | T241-V243 PolarHBondContact O-N 3.44Å; V243-L245 PolarHBondContact O-N 3.48Å | ||
| 244 | M | 52.2 | Low | 58.2 | Low | 169 Ų | 169 | 145.4 Ų | 145.4 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | -72.7 | 111 | 168.1 | -80 | -93 | -62.9 | 0 | 0 | 108.5 | T242 D246 | T242-M244 PolarHBondContact O-N 3.44Å; M244-D246 PolarHBondContact O-N 3.25Å | ||
| 245 | L | 59.1 | Low | 58.4 | Low | 157 Ų | 157 | 141.1 Ų | 141.1 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -81.9 | 107.6 | 164.5 | -79.9 | 158 | 0 | 0 | 0 | 108 | V243 S247 | V243-L245 PolarHBondContact O-N 3.48Å; L245-S247 PolarHBondContact O-N 3.43Å | ||
| 246 | D | 61.9 | Low | 58.1 | Low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -66.2 | 119.3 | 172.5 | -163.1 | 12.6 | 0 | 0 | 0 | 109.1 | M244 | M244-D246 PolarHBondContact O-N 3.25Š| ||
| 247 | S | 65.6 | Low | 58.5 | Low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -106.3 | 105.9 | -179.6 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | L245 | L245-S247 PolarHBondContact O-N 3.43Š| ||
| 248 | V | 63.5 | Low | 58.5 | Low | 122 Ų | 122 | 137.6 Ų | 137.6 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 124.5 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | V250 | V248-V250 PolarHBondContact O-N 3.4Š|
| 249 | P | 69.9 | Low | 58.9 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 123.2 | 176.8 | 26.3 | -30.9 | 0 | 0 | 0 | 110.9 | R251 | P249-R251 PolarHBondContact O-N 3.33Š|
| 250 | V | 66 | Low | 58.9 | Low | 134 Ų | 134 | 138.4 Ų | 138.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 119.4 | 167.1 | 169.2 | 0 | 0 | 0 | 0 | 108.6 | V248 | V248-V250 PolarHBondContact O-N 3.4Š|
| 251 | R | 61.5 | Low | 59.7 | Low | 245 Ų | 245 | 141.4 Ų | 141.4 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -85.7 | 109.2 | 178.3 | -140.4 | 177.3 | -167.1 | 169.9 | 3 | 108.8 | P249 | P249-R251 PolarHBondContact O-N 3.33Š| ||
| 252 | L | 71 | Confident | 60.7 | Low | 149 Ų | 149 | 140.1 Ų | 140.1 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 138.4 | 165.5 | -73 | 166.7 | 0 | 0 | 0 | 109.3 | ||
| 253 | P | 69.5 | Low | 61.8 | Low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140.4 | 179.6 | 28 | -32.3 | 0 | 0 | 0 | 111.3 | ||
| 254 | P | 67.4 | Low | 62.4 | Low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 134.3 | 175.5 | 29.9 | -31.5 | 0 | 0 | 0 | 111.1 | ||
| 255 | T | 63.7 | Low | 63 | Low | 137 Ų | 137 | 136.8 Ų | 136.8 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.4 | 168.4 | -34.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 256 | P | 53.3 | Low | 62.6 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81 | 139.4 | 179 | 30.9 | -31.2 | 0 | 0 | 0 | 110.9 | ||
| 257 | G | 54.5 | Low | 62.2 | Low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 122 | 77 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 258 | Q | 53.3 | Low | 61.4 | Low | 204 Ų | 204 | 134.1 Ų | 134.1 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -163.9 | 137.2 | 138.1 | -105.4 | 163.7 | 60.4 | 0 | 0 | 109.9 | ||||
| 259 | H | 54.5 | Low | 61 | Low | 197 Ų | 197 | 133.6 Ų | 133.6 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -50.5 | 134.4 | -171 | -117.5 | -113.9 | 0 | 0 | 0 | 113.1 | ||||
| 260 | A | 45.9 | Very low | 60.3 | Low | 101 Ų | 101 | 133.4 Ų | 133.4 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -76.6 | 123.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 261 | E | 62 | Low | 59.4 | Low | 171 Ų | 171 | 131.4 Ų | 131.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -110.3 | 129.9 | 160.7 | -170.3 | -164.5 | 137.5 | 0 | 0 | 107.8 | ||||
| 262 | P | 72.4 | Confident | 59.5 | Low | 106 Ų | 106 | 124.9 Ų | 124.9 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 138.3 | 177.5 | 29.5 | -31.8 | 0 | 0 | 0 | 111.1 | ||
| 263 | P | 71.2 | Confident | 59.5 | Low | 122 Ų | 122 | 127.4 Ų | 127.4 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 143 | 178.1 | 29.2 | -32.8 | 0 | 0 | 0 | 111.7 | ||
| 264 | P | 71.6 | Confident | 59.7 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71 | 157.3 | 173.6 | 28.4 | -33.1 | 0 | 0 | 0 | 112.5 | ||
| 265 | P | 64.6 | Low | 60 | Low | 123 Ų | 123 | 127.8 Ų | 127.8 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 142.4 | -174.8 | 25.6 | -33.9 | 0 | 0 | 0 | 113.4 | V267 | P265-V267 PolarHBondContact O-N 3.35Š|
| 266 | A | 51.1 | Low | 60.9 | Low | 105 Ų | 105 | 129.2 Ų | 129.2 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 267 | V | 54.1 | Low | 61.8 | Low | 137 Ų | 137 | 128.2 Ų | 128.2 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 122.7 | 157 | -76.5 | 0 | 0 | 0 | 0 | 108.4 | P265 S269 | P265-V267 PolarHBondContact O-N 3.35Å; V267-S269 PolarHBondContact O-N 3Å; V267-S269 VanDerWaalsContact O-N 3.08Å |
| 268 | A | 48.8 | Very low | 63 | Low | 111 Ų | 111 | 134.3 Ų | 134.3 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -61.2 | 108.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 269 | S | 55 | Low | 63.8 | Low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -102 | 133.7 | 167.6 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | V267 A271 | V267-S269 PolarHBondContact O-N 3Å; V267-S269 VanDerWaalsContact O-N 3.08Å; S269-A271 PolarHBondContact O-N 2.99Å | ||
| 270 | S | 54.7 | Low | 64.5 | Low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | -37.6 | 117.4 | -179 | -176.9 | 0 | 0 | 0 | 0 | 113 | S272 | S270-S272 PolarHBondContact O-N 3.18Å; S270-S272 VanDerWaalsContact O-N 3.13Å | ||
| 271 | A | 47.4 | Very low | 65.4 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -72.8 | 102.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S269 K273 | S269-A271 PolarHBondContact O-N 2.99Å; A271-K273 PolarHBondContact O-N 2.64Å | ||
| 272 | S | 62.7 | Low | 65.9 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -62.6 | 120.1 | 161.2 | -69.5 | 0 | 0 | 0 | 0 | 109.6 | S270 R274 | S270-S272 PolarHBondContact O-N 3.18Å; S270-S272 VanDerWaalsContact O-N 3.13Å; S272-R274 PolarHBondContact O-N 3.08Å; S272-R274 VanDerWaalsContact O-N 3.09Å | ||
| 273 | K | 72.6 | Confident | 66 | Low | 203 Ų | 203 | 117.6 Ų | 117.6 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | trans | -66.4 | 104.9 | 177.2 | -69.5 | 170.8 | -178.2 | 165.6 | 0 | 109.6 | A271 | A271-K273 PolarHBondContact O-N 2.64Š| ||
| 274 | R | 72.5 | Confident | 65.3 | Low | 139 Ų | 139 | 117.6 Ų | 117.6 | 53% | 0.525 | 70% | 0.702 | S | S | . | * | trans | -81 | 124.3 | 172.7 | -62.1 | 174.5 | 77.6 | -172.2 | 11.4 | 109.2 | S272 N281 D283 | S272-R274 PolarHBondContact O-N 3.08Å; S272-R274 VanDerWaalsContact O-N 3.09Å; R274-N281 VanDerWaalsContact NH2-CG 3.29Å; R274-N281 PolarHBondContact NH2-ND2 2.92Å; R274-N281 VanDerWaalsContact NH2-ND2 3.17Å; R274-D283 IonicContact CZ-OD1 3.73Å; R274-D283 IonicContact NE-OD1 3.22Å; R274-D283 PolarHBondContact NE-OD1 3.38Å; R274-D283 IonicContact NH2-OD1 3.37Å; R274-D283 PolarHBondContact NH2-OD1 2.79Å; R274-D283 VanDerWaalsContact NH2-OD1 3.09Å; R274-D283 IonicContact NH2-OD2 3.09Å; R274-D283 PolarHBondContact NH2-OD2 3.5Å | ||
| 275 | V | 74.2 | Confident | 64.3 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.3 | 172.4 | 174 | 0 | 0 | 0 | 0 | 108.2 | L282 | V275-L282 PolarHBondContact O-N 2.73Å |
| 276 | R | 81.4 | Confident | 63.4 | Low | 167 Ų | 167 | 116.3 Ų | 116.3 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.5 | 122 | 170.2 | -75.8 | 179.3 | 153.5 | 171 | -6.5 | 108.3 | N281 | R276-N281 VanDerWaalsContact CG-OD1 3.27Å; R276-N281 WeakPolarHBondContact CG-OD1 3.48Å; R276-N281 PolarHBondContact NE-OD1 2.7Å; R276-N281 PolarHBondContact NH2-ND2 2.71Å; R276-N281 PolarHBondContact NH2-OD1 2.77Å |
| 277 | L | 73.8 | Confident | 63 | Low | 106 Ų | 106 | 116.3 Ų | 116.3 | 56% | 0.555 | 71% | 0.711 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.1 | 166.9 | -160.9 | 75.2 | 0 | 0 | 0 | 106.9 | G279 V280 | L277-G279 VanDerWaalsContact C-N 3.32Å; L277-G279 PolarHBondContact O-N 2.72Å; L277-V280 WeakPolarHBondContact O-CG2 3.45Å; L277-V280 PolarHBondContact O-N 2.77Å |
| 278 | F | 78.4 | Confident | 62.5 | Low | 197 Ų | 197 | 114.5 Ų | 114.5 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61 | 26.1 | -178.2 | -49.8 | -71.8 | 0 | 0 | 0 | 116.9 | V280 | F278-V280 VanDerWaalsContact C-N 3.28Å; F278-V280 PolarHBondContact O-N 2.76Å |
| 279 | G | 70.7 | Confident | 62.2 | Low | 66 Ų | 66 | 112.8 Ų | 112.8 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.7 | 0.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L277 | L277-G279 VanDerWaalsContact C-N 3.32Å; L277-G279 PolarHBondContact O-N 2.72Å |
| 280 | V | 68.8 | Low | 61.6 | Low | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.2 | 168.2 | -79.9 | 0 | 0 | 0 | 0 | 110.4 | L277 F278 L282 | L277-V280 WeakPolarHBondContact O-CG2 3.45Å; L277-V280 PolarHBondContact O-N 2.77Å; F278-V280 VanDerWaalsContact C-N 3.28Å; F278-V280 PolarHBondContact O-N 2.76Å; V280-L282 HydrophobicContact CG2-CD1 4.47Å |
| 281 | N | 66.2 | Low | 61.3 | Low | 60 Ų | 60 | 117 Ų | 117 | 32% | 0.321 | 71% | 0.711 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 119.9 | 170.5 | -84.8 | -36.3 | 0 | 0 | 0 | 108.9 | R274 R276 | R274-N281 VanDerWaalsContact NH2-CG 3.29Å; R274-N281 PolarHBondContact NH2-ND2 2.92Å; R274-N281 VanDerWaalsContact NH2-ND2 3.17Å; R276-N281 VanDerWaalsContact CG-OD1 3.27Å; R276-N281 WeakPolarHBondContact CG-OD1 3.48Å; R276-N281 PolarHBondContact NE-OD1 2.7Å; R276-N281 PolarHBondContact NH2-ND2 2.71Å; R276-N281 PolarHBondContact NH2-OD1 2.77Å |
| 282 | L | 72 | Confident | 61.2 | Low | 102 Ų | 102 | 121.9 Ų | 121.9 | 53% | 0.534 | 72% | 0.719 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 106.3 | 163.5 | -78.1 | 89.3 | 0 | 0 | 0 | 108.1 | V275 V280 | V275-L282 PolarHBondContact O-N 2.73Å; V280-L282 HydrophobicContact CG2-CD1 4.47Å |
| 283 | D | 74.2 | Confident | 60.2 | Low | 110 Ų | 110 | 126.1 Ų | 126.1 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | trans | -91 | 109.3 | 172.3 | -66.1 | -46.6 | 0 | 0 | 0 | 108.3 | R274 | R274-D283 IonicContact CZ-OD1 3.73Å; R274-D283 IonicContact NE-OD1 3.22Å; R274-D283 PolarHBondContact NE-OD1 3.38Å; R274-D283 IonicContact NH2-OD1 3.37Å; R274-D283 PolarHBondContact NH2-OD1 2.79Å; R274-D283 VanDerWaalsContact NH2-OD1 3.09Å; R274-D283 IonicContact NH2-OD2 3.09Å; R274-D283 PolarHBondContact NH2-OD2 3.5Å | ||
| 284 | C | 55.7 | Low | 58.6 | Low | 122 Ų | 122 | 123.8 Ų | 123.8 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -84.2 | 112.4 | 175.9 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | A286 | C284-A286 PolarHBondContact O-N 3.16Š| ||
| 285 | A | 51.2 | Low | 57.4 | Low | 106 Ų | 106 | 123.5 Ų | 123.5 | 88% | 0.876 | 74% | 0.737 | S | S | * | * | trans | -71 | 108.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A287 | A285-A287 PolarHBondContact O-N 3.26Š| ||
| 286 | A | 46.4 | Very low | 55.8 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -79.3 | 108.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | C284 A288 | C284-A286 PolarHBondContact O-N 3.16Å; A286-A288 PolarHBondContact O-N 3.29Å; A286-A288 VanDerWaalsContact O-N 3.12Å | ||
| 287 | A | 42.9 | Very low | 53.8 | Low | 106 Ų | 106 | 117.7 Ų | 117.7 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | trans | -73 | 96.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | A285 | A285-A287 PolarHBondContact O-N 3.26Š| ||
| 288 | A | 42.5 | Very low | 52.1 | Low | 99 Ų | 99 | 123.6 Ų | 123.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -94.9 | 99.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107 | A286 | A286-A288 PolarHBondContact O-N 3.29Å; A286-A288 VanDerWaalsContact O-N 3.12Å | ||
| 289 | G | 42.7 | Very low | 50.4 | Low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -89.8 | 106.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 290 | S | 43.7 | Very low | 48.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -75 | 123.4 | 165.3 | 45.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 291 | E | 47 | Very low | 47.7 | Very low | 195 Ų | 195 | 129.6 Ų | 129.6 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -109.6 | 110.9 | 166.2 | -56.9 | -171 | 148 | 0 | 0 | 107.1 | ||||
| 292 | E | 45.8 | Very low | 47 | Very low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -76.1 | 126 | 173.8 | -82.3 | 178.9 | 110.5 | 0 | 0 | 110.5 | ||||
| 293 | E | 42.3 | Very low | 45.8 | Very low | 197 Ų | 197 | 132 Ų | 132 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -66.5 | 123.7 | 157.3 | -83.7 | -176.6 | 86.9 | 0 | 0 | 110.2 | ||||
| 294 | N | 39 | Very low | 44.7 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | -169.3 | 157 | 135.5 | -151.7 | -10.3 | 0 | 0 | 0 | 111.3 | ||||
| 295 | V | 46.9 | Very low | 44.2 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | 98.3 | 92.1 | 169.7 | -164.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 296 | G | 41.5 | Very low | 44 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -73 | -179.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 297 | G | 37.9 | Very low | 44 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 135 | 71.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 298 | W | 39.4 | Very low | 44.2 | Very low | 231 Ų | 231 | 137 Ų | 137 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | 39.7 | 138.7 | 137.5 | -55 | -19.2 | 0 | 0 | 0 | 123.2 | ||||
| 299 | R | 41.7 | Very low | 44.4 | Very low | 217 Ų | 217 | 137.6 Ų | 137.6 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | trans | 102.8 | 100.6 | 144.1 | -73.7 | 163.5 | -160 | -72.8 | 0.5 | 118.5 | ||||
| 300 | T | 40 | Very low | 44.9 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -34.9 | 132.8 | 146.8 | 18.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 301 | S | 43.7 | Very low | 45.1 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | -179.3 | 143.8 | 120.7 | 53 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 302 | A | 51.4 | Low | 45.2 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -79.3 | -159.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 303 | P | 46.3 | Very low | 45.1 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | -125.9 | -138.2 | -61.9 | 32.3 | -9.4 | 0 | 0 | 0 | 111.6 | |||||
| 304 | P | 50.4 | Low | 45.4 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | -122.9 | -172.8 | -111.7 | 38.3 | -17.2 | 0 | 0 | 0 | 116.6 | |||||
| 305 | T | 45.4 | Very low | 46.2 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | trans | 108.3 | 143.2 | 148.8 | -29.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 306 | Q | 47.8 | Very low | 46.3 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | 90.4 | 144 | 162.9 | -55.5 | -174.6 | 43 | 0 | 0 | 115.7 | ||||
| 307 | Q | 46 | Very low | 46.6 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | cis | 179.6 | 172.5 | -12.1 | -171.2 | 169.6 | 7.7 | 0 | 0 | 105.6 | ||||
| 308 | A | 46.7 | Very low | 47.2 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | trans | 87 | 101.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 309 | S | 47.5 | Very low | 48.1 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | 83.5 | 112.7 | 78.5 | 71 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 310 | S | 52.8 | Low | 48.8 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -165.2 | 134.9 | 139.7 | 43.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 311 | S | 47.2 | Very low | 49.5 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -89.9 | 147.8 | -176 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 312 | S | 49.5 | Very low | 50.4 | Low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -161.4 | 124.7 | 145.4 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 313 | S | 43 | Very low | 51.1 | Low | 125 Ų | 125 | 135.2 Ų | 135.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -96.2 | 138.2 | 176.1 | -47.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 314 | Y | 50.1 | Low | 51.4 | Low | 229 Ų | 229 | 136.3 Ų | 136.3 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -138.5 | 145.9 | 160.1 | 73.4 | -93.9 | 0 | 0 | 0 | 112.1 | ||||
| 315 | S | 55.1 | Low | 52.1 | Low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | -103 | 145.5 | -157.6 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 316 | S | 48.3 | Very low | 53 | Low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 37.5 | 116.6 | 143.4 | -49.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 317 | G | 48.3 | Very low | 53.6 | Low | 81 Ų | 81 | 144 Ų | 144 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -147 | 96.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 318 | K | 51.3 | Low | 54 | Low | 219 Ų | 219 | 142.8 Ų | 142.8 | 95% | 0.952 | 85% | 0.845 | S | S | * | * | trans | -87.6 | 115.9 | 167.1 | -76.7 | 172.2 | 177.1 | 165.5 | 0 | 108 | ||||
| 319 | A | 58.1 | Low | 54.3 | Low | 94 Ų | 94 | 145.9 Ų | 145.9 | 78% | 0.777 | 85% | 0.853 | S | S | * | * | trans | -105.6 | 114.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 320 | R | 56.8 | Low | 54.7 | Low | 238 Ų | 238 | 147.8 Ų | 147.8 | 90% | 0.898 | 86% | 0.857 | S | S | * | * | trans | -92.8 | 123.1 | 162.4 | -73.3 | 175.2 | 89.3 | 153.5 | 2.7 | 106.7 | ||||
| 321 | C | 53.6 | Low | 54.8 | Low | 123 Ų | 123 | 149 Ų | 149 | 83% | 0.831 | 86% | 0.855 | S | S | * | * | trans | -97.8 | 109 | 169.1 | -46.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 322 | S | 63.3 | Low | 55.3 | Low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 86% | 0.858 | S | S | * | * | trans | -95.6 | 128.3 | 163.4 | -67.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 323 | L | 65 | Low | 55.7 | Low | 162 Ų | 162 | 153.2 Ų | 153.2 | 85% | 0.848 | 86% | 0.86 | S | S | * | * | trans | -101.2 | 110.2 | 165.3 | -70.8 | 172.3 | 0 | 0 | 0 | 107.3 | ||||
| 324 | N | 52.9 | Low | 56.6 | Low | 145 Ų | 145 | 155.2 Ų | 155.2 | 78% | 0.775 | 86% | 0.859 | S | S | * | * | trans | -86 | 124 | 158.4 | -79.6 | -41.1 | 0 | 0 | 0 | 106.9 | ||||
| 325 | L | 66.2 | Low | 57.1 | Low | 163 Ų | 163 | 149.5 Ų | 149.5 | 85% | 0.853 | 86% | 0.856 | S | S | * | * | trans | -109.8 | 100.6 | 156.7 | -105.1 | 79.5 | 0 | 0 | 0 | 106 | ||||
| 326 | D | 63.1 | Low | 57.3 | Low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 87% | 0.869 | S | S | * | * | trans | -81.9 | 117.6 | 153.5 | -101.7 | -77.2 | 0 | 0 | 0 | 106.6 | ||||
| 327 | L | 60.3 | Low | 58.1 | Low | 244 Ų | 244 | 156.9 Ų | 156.9 | 100% | 1.277 | 87% | 0.873 | S | S | * | * | trans | -157.3 | 0 | 150.8 | -134.5 | 85.3 | 0 | 0 | 0 | 108.8 |
Retrieved 327 of 327 residues in 134.4 ms
(Link to these results)