| 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 | S | 47 | Very low | 61.5 | Low | 170 Ų | 170 | 109.7 Ų | 109.7 | 100% | 1.189 | 63% | 0.631 | S | S | * | * | 0 | 88.2 | 0 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 2 | S | 53 | Low | 63.1 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | trans | -154.4 | 24.4 | -148.6 | -51.5 | 0 | 0 | 0 | 0 | 114.8 | K6 | S2-K6 WeakPolarHBondContact O-CE 3.32Š| ||
| 3 | D | 54.4 | Low | 64.5 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 54% | 0.54 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -123.4 | -23.3 | -167 | -63.6 | -74.6 | 0 | 0 | 0 | 115.2 | K6 | D3-K6 PolarHBondContact O-N 3.23Å; D3-K6 IonicContact OD1-NZ 2.67Å; D3-K6 PolarHBondContact OD1-NZ 3.11Å |
| 4 | T | 54.7 | Low | 65.9 | Low | 118 Ų | 118 | 107 Ų | 107 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -35 | 179.7 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | K6 I7 | T4-K6 PolarHBondContact O-N 3.44Å; T4-I7 PolarHBondContact O-N 2.67Å |
| 5 | T | 56.5 | Low | 66.9 | Low | 102 Ų | 102 | 106.2 Ų | 106.2 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.8 | -26 | 178.6 | 52.1 | 0 | 0 | 0 | 0 | 113 | I7 | T5-I7 VanDerWaalsContact C-N 3.34Å; T5-I7 PolarHBondContact O-N 2.84Å |
| 6 | K | 61.4 | Low | 67.8 | Low | 101 Ų | 101 | 107 Ų | 107 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -38.5 | -176.2 | -65 | 170.7 | -174.8 | 167.4 | 0 | 111.8 | S2 D3 T4 K10 | S2-K6 WeakPolarHBondContact O-CE 3.32Å; D3-K6 PolarHBondContact O-N 3.23Å; D3-K6 IonicContact OD1-NZ 2.67Å; D3-K6 PolarHBondContact OD1-NZ 3.11Å; T4-K6 PolarHBondContact O-N 3.44Å; K6-K10 WeakPolarHBondContact O-CD 3.49Å; K6-K10 WeakPolarHBondContact O-CE 3.45Å; K6-K10 PolarHBondContact O-NZ 3.14Å |
| 7 | I | 61.9 | Low | 68.5 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 46% | 0.456 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.8 | -39.4 | -169.7 | -59.6 | 175.7 | 0 | 0 | 0 | 112 | T4 T5 E9 K10 | T4-I7 PolarHBondContact O-N 2.67Å; T5-I7 VanDerWaalsContact C-N 3.34Å; T5-I7 PolarHBondContact O-N 2.84Å; I7-E9 PolarHBondContact O-N 2.75Å; I7-E9 VanDerWaalsContact O-N 3.14Å; I7-K10 PolarHBondContact O-N 2.93Å; I7-K10 VanDerWaalsContact O-N 3.14Å |
| 8 | L | 61.3 | Low | 69.1 | Low | 163 Ų | 163 | 107.6 Ų | 107.6 | 85% | 0.853 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.6 | -23.2 | -173.6 | -65.3 | 173.6 | 0 | 0 | 0 | 114.3 | ||
| 9 | E | 69.1 | Low | 69.3 | Low | 157 Ų | 157 | 109.5 Ų | 109.5 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -9.4 | -177.9 | -169.6 | -172.8 | -135.5 | 0 | 0 | 112.9 | I7 | I7-E9 PolarHBondContact O-N 2.75Å; I7-E9 VanDerWaalsContact O-N 3.14Å |
| 10 | K | 76.8 | Confident | 69.7 | Low | 81 Ų | 81 | 109.4 Ų | 109.4 | 35% | 0.352 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -107.2 | 125.8 | -171.8 | -78.2 | 84.2 | -167.5 | 162.6 | 0 | 111.8 | K6 I7 Y14 | K6-K10 WeakPolarHBondContact O-CD 3.49Å; K6-K10 WeakPolarHBondContact O-CE 3.45Å; K6-K10 PolarHBondContact O-NZ 3.14Å; I7-K10 PolarHBondContact O-N 2.93Å; I7-K10 VanDerWaalsContact O-N 3.14Å; K10-Y14 HydrophobicContact CB-CD1 3.38Å; K10-Y14 HydrophobicContact CB-CE1 4.18Å; K10-Y14 HydrophobicContact CB-CG 3.6Å; K10-Y14 HydrophobicContact CG-CD1 4Å; K10-Y14 HydrophobicContact CG-CD2 4.46Å; K10-Y14 HydrophobicContact CG-CG 3.98Å |
| 11 | G | 80.8 | Confident | 69.9 | Low | 46 Ų | 46 | 109.2 Ų | 109.2 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | trans | -65.8 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E13 Y14 | G11-E13 PolarHBondContact O-N 3.43Å; G11-Y14 WeakPolarHBondContact O-CB 3.42Å; G11-Y14 PolarHBondContact O-N 2.82Å | ||
| 12 | P | 79.8 | Confident | 70.9 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 61% | 0.61 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.3 | -22.1 | -170.4 | 23.5 | -35 | 0 | 0 | 0 | 115 | Y14 L15 R16 | P12-Y14 VanDerWaalsContact C-N 3.29Å; P12-Y14 PolarHBondContact O-N 2.81Å; P12-L15 PolarHBondContact O-N 3.13Å; P12-R16 PolarHBondContact O-N 2.92Å; P12-R16 VanDerWaalsContact O-N 3.13Å |
| 13 | E | 82.3 | Confident | 71.3 | Confident | 114 Ų | 114 | 103.4 Ų | 103.4 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -35.2 | 173.6 | -58.3 | -54.9 | 115 | 0 | 0 | 112.9 | G11 R16 K17 | G11-E13 PolarHBondContact O-N 3.43Å; E13-R16 VanDerWaalsContact CD-NH1 3.29Å; E13-R16 PolarHBondContact O-N 3.22Å; E13-R16 IonicContact OE1-CZ 2.66Å; E13-R16 IonicContact OE1-NH1 2.86Å; E13-R16 PolarHBondContact OE1-NH1 3.41Å; E13-R16 IonicContact OE1-NH2 2.69Å; E13-R16 PolarHBondContact OE1-NH2 3.13Å; E13-R16 IonicContact OE2-CZ 2.65Å; E13-R16 IonicContact OE2-NH1 3.15Å; E13-R16 PolarHBondContact OE2-NH1 2.87Å; E13-R16 IonicContact OE2-NH2 3.69Å; E13-K17 WeakPolarHBondContact O-CB 3.49Å; E13-K17 PolarHBondContact O-N 3.4Å |
| 14 | Y | 83.9 | Confident | 71.6 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 33% | 0.325 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 177.9 | 170.7 | -117.5 | 0 | 0 | 0 | 111.6 | K10 G11 P12 R16 K17 Q18 | K10-Y14 HydrophobicContact CB-CD1 3.38Å; K10-Y14 HydrophobicContact CB-CE1 4.18Å; K10-Y14 HydrophobicContact CB-CG 3.6Å; K10-Y14 HydrophobicContact CG-CD1 4Å; K10-Y14 HydrophobicContact CG-CD2 4.46Å; K10-Y14 HydrophobicContact CG-CG 3.98Å; G11-Y14 WeakPolarHBondContact O-CB 3.42Å; G11-Y14 PolarHBondContact O-N 2.82Å; P12-Y14 VanDerWaalsContact C-N 3.29Å; P12-Y14 PolarHBondContact O-N 2.81Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.43Å; Y14-K17 PolarHBondContact O-N 2.91Å; Y14-Q18 VanDerWaalsContact CZ-OE1 3.23Å; Y14-Q18 WeakPolarHBondContact O-CB 3.3Å; Y14-Q18 PolarHBondContact O-N 3.09Å; Y14-Q18 PolarHBondContact OH-OE1 2.94Å |
| 15 | L | 80.1 | Confident | 71.7 | Confident | 95 Ų | 95 | 105.9 Ų | 105.9 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175.9 | -64.7 | 174.3 | 0 | 0 | 0 | 111.2 | P12 Q18 M19 | P12-L15 PolarHBondContact O-N 3.13Å; L15-Q18 PolarHBondContact O-N 3.26Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.17Å |
| 16 | R | 81.3 | Confident | 71.8 | Confident | 119 Ų | 119 | 109 Ų | 109 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 175.5 | -162.8 | -172.1 | -52.3 | 120.4 | 17.3 | 111.6 | P12 E13 Y14 Q18 M19 E20 | P12-R16 PolarHBondContact O-N 2.92Å; P12-R16 VanDerWaalsContact O-N 3.13Å; E13-R16 VanDerWaalsContact CD-NH1 3.29Å; E13-R16 PolarHBondContact O-N 3.22Å; E13-R16 IonicContact OE1-CZ 2.66Å; E13-R16 IonicContact OE1-NH1 2.86Å; E13-R16 PolarHBondContact OE1-NH1 3.41Å; E13-R16 IonicContact OE1-NH2 2.69Å; E13-R16 PolarHBondContact OE1-NH2 3.13Å; E13-R16 IonicContact OE2-CZ 2.65Å; E13-R16 IonicContact OE2-NH1 3.15Å; E13-R16 PolarHBondContact OE2-NH1 2.87Å; E13-R16 IonicContact OE2-NH2 3.69Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.43Å; R16-Q18 VanDerWaalsContact C-N 3.25Å; R16-Q18 PolarHBondContact O-N 2.86Å; R16-M19 WeakPolarHBondContact O-CB 3.37Å; R16-M19 PolarHBondContact O-N 3.37Å; R16-M19 VanDerWaalsContact O-N 3.16Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 2.7Å |
| 17 | K | 80.9 | Confident | 71.8 | Confident | 152 Ų | 152 | 107 Ų | 107 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.4 | -32.3 | 178.1 | -169.5 | 169.8 | -175.2 | 174.5 | 0 | 112.6 | E13 Y14 L21 | E13-K17 WeakPolarHBondContact O-CB 3.49Å; E13-K17 PolarHBondContact O-N 3.4Å; Y14-K17 PolarHBondContact O-N 2.91Å; K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 2.92Å |
| 18 | Q | 77.8 | Confident | 72.1 | Confident | 73 Ų | 73 | 112 Ų | 112 | 34% | 0.341 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.3 | -35.9 | 175.3 | -165.2 | 157.3 | -53.4 | 0 | 0 | 112.3 | Y14 L15 R16 E20 L21 E22 | Y14-Q18 VanDerWaalsContact CZ-OE1 3.23Å; Y14-Q18 WeakPolarHBondContact O-CB 3.3Å; Y14-Q18 PolarHBondContact O-N 3.09Å; Y14-Q18 PolarHBondContact OH-OE1 2.94Å; L15-Q18 PolarHBondContact O-N 3.26Å; R16-Q18 VanDerWaalsContact C-N 3.25Å; R16-Q18 PolarHBondContact O-N 2.86Å; Q18-E20 VanDerWaalsContact C-N 3.32Å; Q18-E20 PolarHBondContact O-N 3.09Å; Q18-L21 PolarHBondContact O-N 3.04Å; Q18-E22 WeakPolarHBondContact O-CB 3.45Å; Q18-E22 WeakPolarHBondContact O-CG 2.9Å; Q18-E22 PolarHBondContact O-N 2.91Å |
| 19 | M | 73.4 | Confident | 72.4 | Confident | 143 Ų | 143 | 109.2 Ų | 109.2 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.4 | -34.7 | 169.2 | -71.3 | 176.1 | 65.5 | 0 | 0 | 112.8 | L15 R16 G23 | L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.17Å; R16-M19 WeakPolarHBondContact O-CB 3.37Å; R16-M19 PolarHBondContact O-N 3.37Å; R16-M19 VanDerWaalsContact O-N 3.16Å; M19-G23 WeakPolarHBondContact O-CA 3.49Å; M19-G23 PolarHBondContact O-N 3.23Å |
| 20 | E | 77.1 | Confident | 73 | Confident | 108 Ų | 108 | 104.6 Ų | 104.6 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -50.8 | 173.2 | -72.6 | 161.6 | -175.6 | 0 | 0 | 110.4 | R16 Q18 G23 E24 | R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 2.7Å; Q18-E20 VanDerWaalsContact C-N 3.32Å; Q18-E20 PolarHBondContact O-N 3.09Å; E20-G23 CarbonylContact O-C 3.29Å; E20-G23 WeakPolarHBondContact O-CA 3.09Å; E20-G23 PolarHBondContact O-N 3.43Å; E20-G23 VanDerWaalsContact O-N 3.17Å; E20-E24 PolarHBondContact O-N 3.29Å |
| 21 | L | 74.6 | Confident | 73.3 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.1 | -44.1 | -178.8 | -169 | 76.2 | 0 | 0 | 0 | 113.8 | K17 Q18 G23 E24 T25 | K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 2.92Å; Q18-L21 PolarHBondContact O-N 3.04Å; L21-G23 PolarHBondContact O-N 3.05Å; L21-E24 PolarHBondContact O-N 3.18Å; L21-E24 VanDerWaalsContact O-N 3.15Å; L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 2.83Å |
| 22 | E | 66.9 | Low | 73.5 | Confident | 111 Ų | 111 | 107.3 Ų | 107.3 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62 | -37.6 | 170.4 | -78 | -173.2 | -151.7 | 0 | 0 | 110.8 | Q18 E24 T25 K26 | Q18-E22 WeakPolarHBondContact O-CB 3.45Å; Q18-E22 WeakPolarHBondContact O-CG 2.9Å; Q18-E22 PolarHBondContact O-N 2.91Å; E22-E24 PolarHBondContact O-N 3.14Å; E22-T25 WeakPolarHBondContact CA-OG1 3.23Å; E22-T25 PolarHBondContact O-OG1 3.48Å; E22-K26 WeakPolarHBondContact O-CB 3.42Å; E22-K26 PolarHBondContact O-N 3.3Å |
| 23 | G | 61.8 | Low | 73.8 | Confident | 16 Ų | 16 | 108 Ų | 108 | 17% | 0.165 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -68.9 | -15 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | M19 E20 L21 R28 | M19-G23 WeakPolarHBondContact O-CA 3.49Å; M19-G23 PolarHBondContact O-N 3.23Å; E20-G23 CarbonylContact O-C 3.29Å; E20-G23 WeakPolarHBondContact O-CA 3.09Å; E20-G23 PolarHBondContact O-N 3.43Å; E20-G23 VanDerWaalsContact O-N 3.17Å; L21-G23 PolarHBondContact O-N 3.05Å; G23-R28 VanDerWaalsContact O-CG 3.28Å; G23-R28 WeakPolarHBondContact O-CG 3.39Å; G23-R28 PolarHBondContact O-NE 2.98Å |
| 24 | E | 60.6 | Low | 74.2 | Confident | 159 Ų | 159 | 110.3 Ų | 110.3 | 74% | 0.743 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -99.8 | -39.6 | 178.4 | -163.7 | 159.3 | -128.1 | 0 | 0 | 111 | E20 L21 E22 | E20-E24 PolarHBondContact O-N 3.29Å; L21-E24 PolarHBondContact O-N 3.18Å; L21-E24 VanDerWaalsContact O-N 3.15Å; E22-E24 PolarHBondContact O-N 3.14Å |
| 25 | T | 57.4 | Low | 74.3 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 68% | 0.681 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.4 | -34.3 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | L21 E22 G27 | L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 2.83Å; E22-T25 WeakPolarHBondContact CA-OG1 3.23Å; E22-T25 PolarHBondContact O-OG1 3.48Å; T25-G27 VanDerWaalsContact C-N 3.33Å; T25-G27 PolarHBondContact O-N 2.91Å; T25-G27 VanDerWaalsContact O-N 3.09Å |
| 26 | K | 57.9 | Low | 74.5 | Confident | 169 Ų | 169 | 110.4 Ų | 110.4 | 74% | 0.735 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -86.7 | 76.7 | 175.3 | -162.8 | 170.9 | -169.2 | 166.5 | 0 | 109.8 | E22 R28 | E22-K26 WeakPolarHBondContact O-CB 3.42Å; E22-K26 PolarHBondContact O-N 3.3Å; K26-R28 PolarHBondContact O-N 3.46Å; K26-R28 VanDerWaalsContact O-N 3.11Å |
| 27 | G | 62.3 | Low | 74.8 | Confident | 58 Ų | 58 | 108.4 Ų | 108.4 | 60% | 0.598 | 57% | 0.573 | S | S | * | * | trans | -32.8 | 111.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T25 M29 | T25-G27 VanDerWaalsContact C-N 3.33Å; T25-G27 PolarHBondContact O-N 2.91Å; T25-G27 VanDerWaalsContact O-N 3.09Å; G27-M29 PolarHBondContact O-N 2.84Å | ||
| 28 | R | 66.9 | Low | 75.3 | Confident | 193 Ų | 193 | 103.3 Ų | 103.3 | 73% | 0.728 | 56% | 0.556 | S | S | * | * | trans | -75.9 | 69 | -171.3 | -61.7 | -168.6 | -167.2 | -164.4 | 5.7 | 112 | G23 K26 S30 | G23-R28 VanDerWaalsContact O-CG 3.28Å; G23-R28 WeakPolarHBondContact O-CG 3.39Å; G23-R28 PolarHBondContact O-NE 2.98Å; K26-R28 PolarHBondContact O-N 3.46Å; K26-R28 VanDerWaalsContact O-N 3.11Å; R28-S30 PolarHBondContact O-N 2.78Å; R28-S30 VanDerWaalsContact O-N 3.08Å | ||
| 29 | M | 68.9 | Low | 75.9 | Confident | 106 Ų | 106 | 102.5 Ų | 102.5 | 52% | 0.522 | 55% | 0.552 | S | S | . | * | trans | -50.6 | 118.6 | 166.6 | 48 | 173.2 | 59.7 | 0 | 0 | 109.3 | G27 E33 R34 | G27-M29 PolarHBondContact O-N 2.84Å; M29-E33 VanDerWaalsContact CA-OE2 3.24Å; M29-E33 WeakPolarHBondContact CA-OE2 3.41Å; M29-E33 HydrophobicContact CB-CG 4.24Å; M29-E33 VanDerWaalsContact CB-OE1 3.26Å; M29-E33 WeakPolarHBondContact CB-OE1 3.39Å; M29-R34 HydrophobicContact CB-CG 4.13Å; M29-R34 HydrophobicContact CG-CG 3.65Å; M29-R34 HydrophobicContact SD-CG 3.61Å | ||
| 30 | S | 81.7 | Confident | 76.6 | Confident | 60 Ų | 60 | 99.7 Ų | 99.7 | 42% | 0.42 | 54% | 0.544 | S | S | . | . | trans | -58.3 | 156.2 | -173 | 176.4 | 0 | 0 | 0 | 0 | 111 | R28 V32 E33 R34 | R28-S30 PolarHBondContact O-N 2.78Å; R28-S30 VanDerWaalsContact O-N 3.08Å; S30-V32 PolarHBondContact O-N 3.37Å; S30-V32 PolarHBondContact OG-N 2.91Å; S30-E33 PolarHBondContact N-OE2 2.88Å; S30-E33 WeakPolarHBondContact O-CB 3.43Å; S30-E33 PolarHBondContact O-N 3.33Å; S30-R34 WeakPolarHBondContact O-CG 3.35Å; S30-R34 PolarHBondContact O-N 3.32Å | ||
| 31 | A | 82.2 | Confident | 77.2 | Confident | 73 Ų | 73 | 102 Ų | 102 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -54.2 | -36.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L35 | A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 WeakPolarHBondContact O-CD1 3.43Å; A31-L35 VanDerWaalsContact O-CG 3.23Å; A31-L35 WeakPolarHBondContact O-CG 3.28Å; A31-L35 PolarHBondContact O-N 3.35Å; A31-L35 VanDerWaalsContact O-N 3.08Å |
| 32 | V | 85.1 | Confident | 77.9 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 67% | 0.673 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -43.7 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | S30 L35 A36 | S30-V32 PolarHBondContact O-N 3.37Å; S30-V32 PolarHBondContact OG-N 2.91Å; V32-L35 PolarHBondContact O-N 2.97Å; V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 3.28Å |
| 33 | E | 87.3 | Confident | 79 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -40.6 | -178.6 | -171.6 | -171.1 | 147.8 | 0 | 0 | 111.9 | M29 S30 L35 A36 A37 | M29-E33 VanDerWaalsContact CA-OE2 3.24Å; M29-E33 WeakPolarHBondContact CA-OE2 3.41Å; M29-E33 HydrophobicContact CB-CG 4.24Å; M29-E33 VanDerWaalsContact CB-OE1 3.26Å; M29-E33 WeakPolarHBondContact CB-OE1 3.39Å; S30-E33 PolarHBondContact N-OE2 2.88Å; S30-E33 WeakPolarHBondContact O-CB 3.43Å; S30-E33 PolarHBondContact O-N 3.33Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.39Å; E33-A36 PolarHBondContact O-N 3.34Å; E33-A37 WeakPolarHBondContact O-CB 3.41Å; E33-A37 PolarHBondContact O-N 3.47Å |
| 34 | R | 89.7 | Confident | 80.3 | Confident | 164 Ų | 164 | 111.5 Ų | 111.5 | 62% | 0.619 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.5 | -42.6 | 171.6 | -69.5 | -176.3 | 71 | -176.7 | -0.2 | 111.6 | M29 S30 S38 | M29-R34 HydrophobicContact CB-CG 4.13Å; M29-R34 HydrophobicContact CG-CG 3.65Å; M29-R34 HydrophobicContact SD-CG 3.61Å; S30-R34 WeakPolarHBondContact O-CG 3.35Å; S30-R34 PolarHBondContact O-N 3.32Å; R34-S38 WeakPolarHBondContact O-CB 3.24Å; R34-S38 PolarHBondContact O-N 3.01Å; R34-S38 VanDerWaalsContact O-N 3.09Å; R34-S38 PolarHBondContact O-OG 3.15Å |
| 35 | L | 86.3 | Confident | 81.5 | Confident | 120 Ų | 120 | 106.5 Ų | 106.5 | 63% | 0.628 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.2 | -48.7 | 174.7 | -72.9 | 168.3 | 0 | 0 | 0 | 110.7 | A31 V32 E33 A37 S38 K39 | A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 WeakPolarHBondContact O-CD1 3.43Å; A31-L35 VanDerWaalsContact O-CG 3.23Å; A31-L35 WeakPolarHBondContact O-CG 3.28Å; A31-L35 PolarHBondContact O-N 3.35Å; A31-L35 VanDerWaalsContact O-N 3.08Å; V32-L35 PolarHBondContact O-N 2.97Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.39Å; L35-A37 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-N 3.17Å; L35-S38 VanDerWaalsContact O-N 3.17Å; L35-S38 PolarHBondContact O-OG 3.4Å; L35-K39 PolarHBondContact O-N 3.5Å |
| 36 | A | 85.1 | Confident | 82.6 | Confident | 59 Ų | 59 | 107.2 Ų | 107.2 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.3 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V32 E33 S38 K39 P40 | V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 3.28Å; E33-A36 PolarHBondContact O-N 3.34Å; A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 2.83Å; A36-K39 VanDerWaalsContact O-CB 3.23Å; A36-K39 WeakPolarHBondContact O-CB 3.26Å; A36-K39 PolarHBondContact O-N 3.32Å; A36-P40 WeakPolarHBondContact O-CD 3.34Å |
| 37 | A | 87.2 | Confident | 83.8 | Confident | 77 Ų | 77 | 107.1 Ų | 107.1 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -32.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E33 L35 | E33-A37 WeakPolarHBondContact O-CB 3.41Å; E33-A37 PolarHBondContact O-N 3.47Å; L35-A37 PolarHBondContact O-N 3.45Å |
| 38 | S | 90.6 | Very high | 84.6 | Confident | 46 Ų | 46 | 108.1 Ų | 108.1 | 32% | 0.322 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -81.8 | -22.6 | 176.7 | 76.1 | 0 | 0 | 0 | 0 | 114.2 | R34 L35 A36 K41 Y42 | R34-S38 WeakPolarHBondContact O-CB 3.24Å; R34-S38 PolarHBondContact O-N 3.01Å; R34-S38 VanDerWaalsContact O-N 3.09Å; R34-S38 PolarHBondContact O-OG 3.15Å; L35-S38 PolarHBondContact O-N 3.17Å; L35-S38 VanDerWaalsContact O-N 3.17Å; L35-S38 PolarHBondContact O-OG 3.4Å; A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 2.83Å; S38-K41 VanDerWaalsContact O-CB 3.3Å; S38-K41 WeakPolarHBondContact O-CB 3.41Å; S38-K41 PolarHBondContact O-N 2.98Å; S38-Y42 WeakPolarHBondContact O-CD2 3.42Å |
| 39 | K | 90.8 | Very high | 85.2 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 24% | 0.239 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -50.4 | -48.7 | -175.3 | -162.8 | 179.1 | -176.6 | -167.7 | 0 | 114.6 | L35 A36 K41 Y42 V43 V48 V49 S51 | L35-K39 PolarHBondContact O-N 3.5Å; A36-K39 VanDerWaalsContact O-CB 3.23Å; A36-K39 WeakPolarHBondContact O-CB 3.26Å; A36-K39 PolarHBondContact O-N 3.32Å; K39-K41 PolarHBondContact O-N 2.73Å; K39-Y42 PolarHBondContact O-N 3.11Å; K39-Y42 VanDerWaalsContact O-N 3.13Å; K39-V43 HydrophobicContact CG-CB 4.36Å; K39-V43 HydrophobicContact CG-CG2 3.8Å; K39-V43 WeakPolarHBondContact O-CB 3.37Å; K39-V43 PolarHBondContact O-N 2.8Å; K39-V48 WeakPolarHBondContact CE-O 3.23Å; K39-V48 PolarHBondContact NZ-O 3.09Å; K39-V49 WeakPolarHBondContact CE-O 3.47Å; K39-V49 PolarHBondContact NZ-O 2.89Å; K39-S51 PolarHBondContact NZ-O 3.35Å |
| 40 | P | 87.6 | Confident | 85.7 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -15.7 | -179.8 | 27 | -36.2 | 0 | 0 | 0 | 114.3 | A36 Y42 V49 | A36-P40 WeakPolarHBondContact O-CD 3.34Å; P40-Y42 VanDerWaalsContact C-N 3.31Å; P40-V49 HydrophobicContact CB-CG1 4.4Å |
| 41 | K | 90.6 | Very high | 85.6 | Confident | 157 Ų | 157 | 100.9 Ų | 100.9 | 68% | 0.683 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.5 | -24.1 | 174.5 | -171.4 | 179.9 | 171.7 | -160.4 | 0 | 112.6 | S38 K39 | S38-K41 VanDerWaalsContact O-CB 3.3Å; S38-K41 WeakPolarHBondContact O-CB 3.41Å; S38-K41 PolarHBondContact O-N 2.98Å; K39-K41 PolarHBondContact O-N 2.73Å |
| 42 | Y | 88.6 | Confident | 85.1 | Confident | 166 Ų | 166 | 102.7 Ų | 102.7 | 65% | 0.651 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -123 | -18.8 | -171.3 | -54 | -65.3 | 0 | 0 | 0 | 113.9 | S38 K39 P40 | S38-Y42 WeakPolarHBondContact O-CD2 3.42Å; K39-Y42 PolarHBondContact O-N 3.11Å; K39-Y42 VanDerWaalsContact O-N 3.13Å; P40-Y42 VanDerWaalsContact C-N 3.31Å |
| 43 | V | 90.6 | Very high | 84.5 | Confident | 43 Ų | 43 | 106.1 Ų | 106.1 | 26% | 0.261 | 55% | 0.55 | S | S | . | . | trans | -102.7 | 110.6 | 179.4 | -180 | 0 | 0 | 0 | 0 | 110.4 | K39 S45 V48 V49 | K39-V43 HydrophobicContact CG-CB 4.36Å; K39-V43 HydrophobicContact CG-CG2 3.8Å; K39-V43 WeakPolarHBondContact O-CB 3.37Å; K39-V43 PolarHBondContact O-N 2.8Å; V43-S45 PolarHBondContact O-N 2.96Å; V43-V48 HydrophobicContact CG1-CB 3.64Å; V43-V48 HydrophobicContact CG1-CG1 3.65Å; V43-V49 HydrophobicContact CB-CG2 3.84Å; V43-V49 HydrophobicContact CG1-CG2 3.78Å; V43-V49 WeakPolarHBondContact O-CG2 3.49Å | ||
| 44 | K | 88.4 | Confident | 83.7 | Confident | 222 Ų | 222 | 108.1 Ų | 108.1 | 97% | 0.965 | 56% | 0.559 | S | S | * | * | trans | -81.1 | -5.3 | -173.1 | -158.8 | 173.3 | -178.8 | 179.9 | 0 | 115.2 | ||||
| 45 | S | 87.5 | Confident | 82.3 | Confident | 54 Ų | 54 | 104.9 Ų | 104.9 | 38% | 0.378 | 56% | 0.559 | S | S | . | * | trans | -113.3 | 122.4 | 179.6 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | V43 Q47 V48 V49 | V43-S45 PolarHBondContact O-N 2.96Å; S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 PolarHBondContact O-N 3.08Å; S45-V48 PolarHBondContact O-N 3.34Å; S45-V49 PolarHBondContact O-N 2.62Å | ||
| 46 | Q | 80.6 | Confident | 81.1 | Confident | 126 Ų | 126 | 105.7 Ų | 105.7 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.3 | -35.3 | -178.1 | -165.5 | 65.3 | 50.3 | 0 | 0 | 112.8 | V48 V49 N50 | Q46-V48 VanDerWaalsContact C-N 3.28Å; Q46-V48 PolarHBondContact O-N 3.29Å; Q46-V49 PolarHBondContact O-N 3.39Å; Q46-N50 PolarHBondContact NE2-OD1 2.96Å; Q46-N50 WeakPolarHBondContact O-CB 3.41Å; Q46-N50 VanDerWaalsContact O-CG 3.27Å; Q46-N50 PolarHBondContact O-N 3.23Å; Q46-N50 PolarHBondContact O-OD1 3.17Å |
| 47 | Q | 82.6 | Confident | 79.6 | Confident | 167 Ų | 167 | 109.7 Ų | 109.7 | 78% | 0.78 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.3 | -38.4 | 176.4 | -173.1 | -179.1 | 5.5 | 0 | 0 | 111.5 | S45 S51 | S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 PolarHBondContact O-N 3.08Å; Q47-S51 PolarHBondContact O-N 3.36Å |
| 48 | V | 78.6 | Confident | 77.8 | Confident | 79 Ų | 79 | 110.8 Ų | 110.8 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -78.6 | -34.1 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | K39 V43 S45 Q46 S51 | K39-V48 WeakPolarHBondContact CE-O 3.23Å; K39-V48 PolarHBondContact NZ-O 3.09Å; V43-V48 HydrophobicContact CG1-CB 3.64Å; V43-V48 HydrophobicContact CG1-CG1 3.65Å; S45-V48 PolarHBondContact O-N 3.34Å; Q46-V48 VanDerWaalsContact C-N 3.28Å; Q46-V48 PolarHBondContact O-N 3.29Å; V48-S51 PolarHBondContact O-N 3.07Å |
| 49 | V | 79.2 | Confident | 75.9 | Confident | 28 Ų | 28 | 115.9 Ų | 115.9 | 17% | 0.17 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -59.2 | -48.9 | 170.8 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | K39 P40 V43 S45 Q46 S51 | K39-V49 WeakPolarHBondContact CE-O 3.47Å; K39-V49 PolarHBondContact NZ-O 2.89Å; P40-V49 HydrophobicContact CB-CG1 4.4Å; V43-V49 HydrophobicContact CB-CG2 3.84Å; V43-V49 HydrophobicContact CG1-CG2 3.78Å; V43-V49 WeakPolarHBondContact O-CG2 3.49Å; S45-V49 PolarHBondContact O-N 2.62Å; Q46-V49 PolarHBondContact O-N 3.39Å; V49-S51 VanDerWaalsContact C-N 3.31Å; V49-S51 PolarHBondContact O-N 2.69Å |
| 50 | N | 79.4 | Confident | 73.4 | Confident | 112 Ų | 112 | 116.6 Ų | 116.6 | 60% | 0.599 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.4 | -15.7 | -176 | -66.1 | 6.2 | 0 | 0 | 0 | 114.1 | Q46 T52 | Q46-N50 PolarHBondContact NE2-OD1 2.96Å; Q46-N50 WeakPolarHBondContact O-CB 3.41Å; Q46-N50 VanDerWaalsContact O-CG 3.27Å; Q46-N50 PolarHBondContact O-N 3.23Å; Q46-N50 PolarHBondContact O-OD1 3.17Å; N50-T52 PolarHBondContact O-N 2.98Å |
| 51 | S | 79.4 | Confident | 71.3 | Confident | 68 Ų | 68 | 117.9 Ų | 117.9 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | trans | -77 | 111 | 178.8 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | K39 Q47 V48 V49 | K39-S51 PolarHBondContact NZ-O 3.35Å; Q47-S51 PolarHBondContact O-N 3.36Å; V48-S51 PolarHBondContact O-N 3.07Å; V49-S51 VanDerWaalsContact C-N 3.31Å; V49-S51 PolarHBondContact O-N 2.69Å | ||
| 52 | T | 71.8 | Confident | 68.9 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | trans | -83.7 | 137.3 | 166.7 | -57 | 0 | 0 | 0 | 0 | 109.7 | N50 | N50-T52 PolarHBondContact O-N 2.98Š| ||
| 53 | Q | 73.5 | Confident | 66.6 | Low | 183 Ų | 183 | 112.4 Ų | 112.4 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | trans | -94.5 | 112.3 | 170.8 | -71.9 | -179 | -10.1 | 0 | 0 | 109.1 | ||||
| 54 | E | 69.6 | Low | 64.2 | Low | 149 Ų | 149 | 117.3 Ų | 117.3 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | trans | -72.9 | 138.8 | 169 | -68.4 | -55.6 | 135.7 | 0 | 0 | 110.4 | V56 | E54-V56 PolarHBondContact O-N 3.08Š| ||
| 55 | P | 61 | Low | 61.8 | Low | 95 Ų | 95 | 112.5 Ų | 112.5 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | trans | -71 | 114.5 | -179.3 | 28.2 | -33.2 | 0 | 0 | 0 | 110.6 | I57 | P55-I57 PolarHBondContact O-N 2.87Š| ||
| 56 | V | 59.8 | Low | 59.5 | Low | 138 Ų | 138 | 115.3 Ų | 115.3 | 84% | 0.836 | 70% | 0.696 | S | S | * | * | trans | -74.4 | 68.5 | 177.2 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | E54 S58 | E54-V56 PolarHBondContact O-N 3.08Å; V56-S58 PolarHBondContact O-N 2.69Å | ||
| 57 | I | 53.9 | Low | 57.5 | Low | 143 Ų | 143 | 116.2 Ų | 116.2 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | -79.5 | 56.9 | 167.3 | 47.5 | 171.8 | 0 | 0 | 0 | 110.9 | P55 L59 | P55-I57 PolarHBondContact O-N 2.87Å; I57-L59 PolarHBondContact O-N 2.8Å; I57-L59 VanDerWaalsContact O-N 3.09Å | ||
| 58 | S | 50.4 | Low | 55.3 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | -69.6 | 101 | 165.6 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | V56 G60 | V56-S58 PolarHBondContact O-N 2.69Å; S58-G60 PolarHBondContact O-N 3.48Å | ||
| 59 | L | 51 | Low | 53.3 | Low | 154 Ų | 154 | 113.8 Ų | 113.8 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | -67.9 | 100.1 | 165.2 | -88.3 | 84.6 | 0 | 0 | 0 | 107.5 | I57 S61 | I57-L59 PolarHBondContact O-N 2.8Å; I57-L59 VanDerWaalsContact O-N 3.09Å; L59-S61 PolarHBondContact O-N 3.25Å | ||
| 60 | G | 37.9 | Very low | 51.5 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -62.5 | 98 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S58 A62 | S58-G60 PolarHBondContact O-N 3.48Å; G60-A62 PolarHBondContact O-N 3.43Å | ||
| 61 | S | 42.4 | Very low | 49.5 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -62.3 | 109.7 | 155.6 | -69.4 | 0 | 0 | 0 | 0 | 107.9 | L59 S63 | L59-S61 PolarHBondContact O-N 3.25Å; S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | A | 41.3 | Very low | 47.8 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -64.7 | 112.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G60 | G60-A62 PolarHBondContact O-N 3.43Š| ||
| 63 | S | 39.5 | Very low | 46.3 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -146.5 | 97.4 | 172.6 | -69.6 | 0 | 0 | 0 | 0 | 107.7 | S61 S65 | S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.11Å; S63-S65 PolarHBondContact O-N 2.96Å | ||
| 64 | V | 40.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -73.4 | 120.7 | 177 | -75 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 65 | S | 37.4 | Very low | 43.1 | Very low | 120 Ų | 120 | 120 Ų | 120 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -147.5 | 115.1 | 165.1 | -75.5 | 0 | 0 | 0 | 0 | 108.1 | S63 | S63-S65 PolarHBondContact O-N 2.96Š| ||
| 66 | S | 40.9 | Very low | 41.9 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -75.3 | 178.8 | -176.9 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 67 | T | 37.8 | Very low | 40.8 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | 92.1 | 112.3 | 171.5 | -34.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 68 | G | 35.3 | Very low | 39.9 | Very low | 76 Ų | 76 | 125.1 Ų | 125.1 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -93.1 | 173.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 69 | S | 38.2 | Very low | 39.1 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -145.8 | 146.8 | 157.4 | -170.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 70 | S | 40.1 | Very low | 38.2 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -80.8 | 140.3 | 168.9 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 71 | S | 37.5 | Very low | 37.8 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -155.1 | 107 | 161.9 | -71 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 72 | Q | 43.3 | Very low | 37.1 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -71.3 | 128.2 | 156.3 | -70.8 | 177.5 | -21.9 | 0 | 0 | 108.2 | ||||
| 73 | S | 40.2 | Very low | 36.5 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -110.2 | 83.2 | 172.6 | 45.4 | 0 | 0 | 0 | 0 | 111.2 | N75 | S73-N75 PolarHBondContact O-N 2.94Š| ||
| 74 | I | 40.2 | Very low | 36.2 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -80.7 | 98.3 | 168.1 | -59.5 | 171 | 0 | 0 | 0 | 108 | ||||
| 75 | N | 35.8 | Very low | 35.8 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -91.6 | 105.5 | 173.2 | -75.1 | -11.5 | 0 | 0 | 0 | 110.5 | S73 | S73-N75 PolarHBondContact O-N 2.94Š| ||
| 76 | R | 36.7 | Very low | 35.5 | Very low | 234 Ų | 234 | 129.6 Ų | 129.6 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -88.3 | 157.1 | 163.7 | -81.2 | -171.4 | 170.2 | -138.3 | -0.1 | 110.8 | ||||
| 77 | N | 37 | Very low | 35 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -59.1 | 142.5 | -177 | -52.6 | 2.4 | 0 | 0 | 0 | 112.9 | ||||
| 78 | G | 34.4 | Very low | 34.6 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -146.2 | 134.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 79 | N | 33.9 | Very low | 34.5 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -135.1 | 171.8 | -179.1 | -145.6 | -1.3 | 0 | 0 | 0 | 108.2 | ||||
| 80 | L | 31.3 | Very low | 34.3 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 89.7 | 152.4 | -169.7 | -74.2 | 72.3 | 0 | 0 | 0 | 114.9 | ||||
| 81 | V | 29.9 | Very low | 33.8 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | cis | -179.1 | 149.9 | -36.6 | 124.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 82 | S | 28.9 | Very low | 33.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 66.2 | 151.1 | 176.5 | -62 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 83 | G | 28.1 | Very low | 33.5 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | 174.1 | -176.1 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 84 | S | 33.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | 83.4 | 84.4 | 165 | -53.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 85 | T | 30.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 15.5 | 150.1 | 132.4 | 55.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 86 | S | 31.7 | Very low | 32.3 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | 79.3 | 151.8 | 163.5 | 79 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 87 | S | 31.2 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | cis | -132.3 | 170.5 | 14.2 | -166.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 88 | V | 28.9 | Very low | 32.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 144 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 89 | H | 33 | Very low | 32.2 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -156.8 | 168.5 | 138 | -104.6 | -74.3 | 0 | 0 | 0 | 110.4 | ||||
| 90 | K | 34.4 | Very low | 32.4 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | -106.1 | 155.1 | -164.5 | -54.1 | 175.1 | -178.9 | 176.8 | 0 | 112.4 | ||||
| 91 | D | 29.6 | Very low | 32.5 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | 177.3 | 165.1 | 103.2 | -87.8 | -24.5 | 0 | 0 | 0 | 113.1 | |||||
| 92 | V | 33.5 | Very low | 33 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -144.7 | 125.6 | -175.4 | 170.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 93 | P | 40.9 | Very low | 33.6 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | -137.1 | -173.4 | 75 | 40.8 | -22.1 | 0 | 0 | 0 | 112.2 | |||||
| 94 | Q | 33.9 | Very low | 34.2 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | -168.5 | 161.6 | 58.5 | -168 | 167.6 | 4.5 | 0 | 0 | 113 | |||||
| 95 | L | 31.4 | Very low | 35.2 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -71.7 | 142.4 | -174.5 | -63.2 | 140.7 | 0 | 0 | 0 | 114.1 | ||||
| 96 | C | 26.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | -165.5 | 150.7 | 126.6 | -140.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 97 | L | 35.5 | Very low | 37.8 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -128 | 165 | 164.6 | -73.6 | 168.2 | 0 | 0 | 0 | 107.5 | ||||
| 98 | P | 39.2 | Very low | 39.3 | Very low | 112 Ų | 112 | 154 Ų | 154 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -118.2 | 156.3 | -31.2 | 37 | -24.7 | 0 | 0 | 0 | 111.6 | Q100 | P98-Q100 PolarHBondContact O-N 3.44Š| ||
| 99 | G | 30.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 159.4 Ų | 159.4 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -71.6 | 115.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 100 | Q | 38.1 | Very low | 42.9 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -61.3 | 132.1 | 169 | -74.9 | -80.1 | -34 | 0 | 0 | 111.1 | P98 H102 | P98-Q100 PolarHBondContact O-N 3.44Å; Q100-H102 PolarHBondContact O-N 3Å | ||
| 101 | Q | 34.3 | Very low | 45 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -71.4 | 94.2 | 176.4 | -77 | -170.4 | -17.3 | 0 | 0 | 111.2 | R103 | Q101-R103 VanDerWaalsContact C-N 3.31Å; Q101-R103 PolarHBondContact O-N 3.13Å | ||
| 102 | H | 38.9 | Very low | 47.6 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 81.9 | 178.1 | -157.9 | -69.7 | 0 | 0 | 0 | 111.4 | Q100 | Q100-H102 PolarHBondContact O-N 3Š| ||
| 103 | R | 42.7 | Very low | 50 | Low | 219 Ų | 219 | 146.7 Ų | 146.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -50.4 | 122.5 | 179.2 | -166.8 | -178.7 | -165 | -178.2 | 6.9 | 109.9 | Q101 T105 | Q101-R103 VanDerWaalsContact C-N 3.31Å; Q101-R103 PolarHBondContact O-N 3.13Å; R103-T105 PolarHBondContact O-N 3.16Å | ||
| 104 | P | 40.6 | Very low | 52.2 | Low | 110 Ų | 110 | 146.2 Ų | 146.2 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | -63.2 | 123.7 | -176.5 | 24.1 | -33 | 0 | 0 | 0 | 109.7 | V106 | P104-V106 PolarHBondContact O-N 2.91Å; P104-V106 VanDerWaalsContact O-N 3.08Å | ||
| 105 | T | 53.9 | Low | 54.8 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | -67.1 | 111.2 | 176.7 | 45 | 0 | 0 | 0 | 0 | 108.5 | R103 K107 | R103-T105 PolarHBondContact O-N 3.16Å; T105-K107 PolarHBondContact O-N 2.94Å | ||
| 106 | V | 57.3 | Low | 57.5 | Low | 129 Ų | 129 | 141.7 Ų | 141.7 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | trans | -61 | 103 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | P104 K108 | P104-V106 PolarHBondContact O-N 2.91Å; P104-V106 VanDerWaalsContact O-N 3.08Å; V106-K108 VanDerWaalsContact C-N 3.29Å; V106-K108 PolarHBondContact O-N 3.41Å | ||
| 107 | K | 59.8 | Low | 60.6 | Low | 196 Ų | 196 | 142.9 Ų | 142.9 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | trans | -57.8 | 97.4 | 169.4 | -68.9 | -178.3 | 179.9 | 179 | 0 | 106.5 | T105 R109 | T105-K107 PolarHBondContact O-N 2.94Å; K107-R109 PolarHBondContact O-N 3.15Å | ||
| 108 | K | 63.8 | Low | 63 | Low | 199 Ų | 199 | 141.5 Ų | 141.5 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 118.1 | -179.4 | -68.8 | -177.5 | 178.7 | -179.5 | 0 | 106.9 | V106 | V106-K108 VanDerWaalsContact C-N 3.29Å; V106-K108 PolarHBondContact O-N 3.41Å |
| 109 | R | 66.4 | Low | 65.2 | Low | 228 Ų | 228 | 143 Ų | 143 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 139.1 | 169.7 | -81.8 | -179.1 | 162 | 87.5 | -2.8 | 107.4 | K107 D111 | K107-R109 PolarHBondContact O-N 3.15Å; R109-D111 PolarHBondContact O-N 2.98Å; R109-D111 VanDerWaalsContact O-N 3.15Å |
| 110 | P | 69.9 | Low | 67.5 | Low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 125.9 | 175 | 24.1 | -33.3 | 0 | 0 | 0 | 107.9 | S112 | P110-S112 PolarHBondContact O-N 3.02Š|
| 111 | D | 79.4 | Confident | 69.6 | Low | 91 Ų | 91 | 137 Ų | 137 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | trans | -66.6 | 112.3 | -167.9 | -178.4 | 11.7 | 0 | 0 | 0 | 109.9 | R109 I113 L114 L115 | R109-D111 PolarHBondContact O-N 2.98Å; R109-D111 VanDerWaalsContact O-N 3.15Å; D111-I113 PolarHBondContact O-N 3.28Å; D111-I113 WeakPolarHBondContact OD1-CG2 3.39Å; D111-I113 PolarHBondContact OD1-N 2.88Å; D111-L114 HydrophobicContact CB-CB 3.9Å; D111-L114 WeakPolarHBondContact O-CB 3.48Å; D111-L114 PolarHBondContact O-N 2.68Å; D111-L115 PolarHBondContact O-N 3.43Å | ||
| 112 | S | 84.5 | Confident | 71.6 | Confident | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.5 | -26.1 | -172 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | P110 Y116 | P110-S112 PolarHBondContact O-N 3.02Å; S112-Y116 WeakPolarHBondContact O-CB 3.32Å; S112-Y116 PolarHBondContact O-N 2.9Å |
| 113 | I | 82.7 | Confident | 73.1 | Confident | 88 Ų | 88 | 132.3 Ų | 132.3 | 45% | 0.451 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.7 | -31.8 | 172.6 | -157.5 | 64.1 | 0 | 0 | 0 | 111.7 | D111 Y116 R117 | D111-I113 PolarHBondContact O-N 3.28Å; D111-I113 WeakPolarHBondContact OD1-CG2 3.39Å; D111-I113 PolarHBondContact OD1-N 2.88Å; I113-Y116 HydrophobicContact CD1-CD1 4.16Å; I113-R117 WeakPolarHBondContact O-CB 3.08Å; I113-R117 WeakPolarHBondContact O-CD 3.38Å; I113-R117 WeakPolarHBondContact O-CG 3.18Å; I113-R117 PolarHBondContact O-N 3.04Å |
| 114 | L | 87.1 | Confident | 74.3 | Confident | 108 Ų | 108 | 130.8 Ų | 130.8 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70 | -43.8 | 174.5 | -170.3 | 68.2 | 0 | 0 | 0 | 110.9 | D111 R117 Q118 | D111-L114 HydrophobicContact CB-CB 3.9Å; D111-L114 WeakPolarHBondContact O-CB 3.48Å; D111-L114 PolarHBondContact O-N 2.68Å; L114-R117 PolarHBondContact O-N 2.96Å; L114-Q118 WeakPolarHBondContact O-CB 3.37Å; L114-Q118 PolarHBondContact O-N 2.7Å |
| 115 | L | 88.6 | Confident | 74.9 | Confident | 107 Ų | 107 | 128 Ų | 128 | 56% | 0.56 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65 | -38.4 | 174.9 | -170.6 | 67.3 | 0 | 0 | 0 | 111.8 | D111 K119 | D111-L115 PolarHBondContact O-N 3.43Å; L115-K119 WeakPolarHBondContact O-CB 3.44Å; L115-K119 PolarHBondContact O-N 3.39Å |
| 116 | Y | 89.2 | Confident | 74.8 | Confident | 148 Ų | 148 | 127 Ų | 127 | 58% | 0.58 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.3 | -48 | 172.9 | 177.3 | -99.7 | 0 | 0 | 0 | 111.7 | S112 I113 K119 C120 | S112-Y116 WeakPolarHBondContact O-CB 3.32Å; S112-Y116 PolarHBondContact O-N 2.9Å; I113-Y116 HydrophobicContact CD1-CD1 4.16Å; Y116-K119 PolarHBondContact O-N 3.25Å; Y116-C120 VanDerWaalsContact CZ-SG 3.53Å; Y116-C120 WeakPolarHBondContact O-CB 3.39Å; Y116-C120 PolarHBondContact O-N 2.88Å; Y116-C120 PolarHBondContact O-SG 2.69Å; Y116-C120 VanDerWaalsContact O-SG 3.4Å |
| 117 | R | 89.4 | Confident | 74.5 | Confident | 153 Ų | 153 | 125 Ų | 125 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -54.9 | -54.3 | 174 | -75.3 | 164.9 | -177 | -80.7 | 1.2 | 110.9 | I113 L114 K119 C120 D121 | I113-R117 WeakPolarHBondContact O-CB 3.08Å; I113-R117 WeakPolarHBondContact O-CD 3.38Å; I113-R117 WeakPolarHBondContact O-CG 3.18Å; I113-R117 PolarHBondContact O-N 3.04Å; L114-R117 PolarHBondContact O-N 2.96Å; R117-K119 VanDerWaalsContact C-N 3.29Å; R117-K119 PolarHBondContact O-N 3.39Å; R117-C120 CarbonylContact O-C 3.35Å; R117-C120 WeakPolarHBondContact O-CA 3.38Å; R117-C120 WeakPolarHBondContact O-CB 3.17Å; R117-C120 PolarHBondContact O-N 3.45Å; R117-D121 WeakPolarHBondContact O-CB 3.08Å; R117-D121 VanDerWaalsContact O-CG 3.23Å; R117-D121 PolarHBondContact O-N 3.33Å |
| 118 | Q | 86.7 | Confident | 73.9 | Confident | 128 Ų | 128 | 122.9 Ų | 122.9 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55.8 | -41 | 178 | -174.3 | -178.6 | -1 | 0 | 0 | 112.6 | L114 D121 L122 | L114-Q118 WeakPolarHBondContact O-CB 3.37Å; L114-Q118 PolarHBondContact O-N 2.7Å; Q118-D121 PolarHBondContact O-N 2.67Å; Q118-L122 WeakPolarHBondContact O-CB 2.89Å; Q118-L122 PolarHBondContact O-N 2.96Å |
| 119 | K | 85.2 | Confident | 73.4 | Confident | 143 Ų | 143 | 122 Ų | 122 | 62% | 0.622 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.7 | -41.6 | 176 | -169 | 179.2 | -177.5 | -177.5 | 0 | 112.1 | L115 Y116 R117 L122 L123 | L115-K119 WeakPolarHBondContact O-CB 3.44Å; L115-K119 PolarHBondContact O-N 3.39Å; Y116-K119 PolarHBondContact O-N 3.25Å; R117-K119 VanDerWaalsContact C-N 3.29Å; R117-K119 PolarHBondContact O-N 3.39Å; K119-L122 PolarHBondContact O-N 3.29Å; K119-L123 HydrophobicContact CG-CD1 4.35Å; K119-L123 WeakPolarHBondContact O-CD1 3.39Å; K119-L123 WeakPolarHBondContact O-CG 3.14Å; K119-L123 PolarHBondContact O-N 2.65Å |
| 120 | C | 78.9 | Confident | 72.4 | Confident | 39 Ų | 39 | 118.1 Ų | 118.1 | 26% | 0.264 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.1 | -37.3 | 174.3 | -73.8 | 0 | 0 | 0 | 0 | 112.5 | Y116 R117 L123 R124 | Y116-C120 VanDerWaalsContact CZ-SG 3.53Å; Y116-C120 WeakPolarHBondContact O-CB 3.39Å; Y116-C120 PolarHBondContact O-N 2.88Å; Y116-C120 PolarHBondContact O-SG 2.69Å; Y116-C120 VanDerWaalsContact O-SG 3.4Å; R117-C120 CarbonylContact O-C 3.35Å; R117-C120 WeakPolarHBondContact O-CA 3.38Å; R117-C120 WeakPolarHBondContact O-CB 3.17Å; R117-C120 PolarHBondContact O-N 3.45Å; C120-L123 PolarHBondContact O-N 3.29Å; C120-R124 WeakPolarHBondContact O-CB 3.43Å; C120-R124 PolarHBondContact O-N 2.82Å |
| 121 | D | 82.2 | Confident | 71.3 | Confident | 98 Ų | 98 | 122.8 Ų | 122.8 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.9 | -35.8 | 177.1 | -65.7 | -33 | 0 | 0 | 0 | 111.4 | R117 Q118 R124 G125 | R117-D121 WeakPolarHBondContact O-CB 3.08Å; R117-D121 VanDerWaalsContact O-CG 3.23Å; R117-D121 PolarHBondContact O-N 3.33Å; Q118-D121 PolarHBondContact O-N 2.67Å; D121-R124 PolarHBondContact O-N 3.21Å; D121-G125 PolarHBondContact O-N 3.19Å |
| 122 | L | 76.6 | Confident | 69.7 | Low | 142 Ų | 142 | 128.5 Ų | 128.5 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.8 | -41.4 | 173 | -157.1 | 73.8 | 0 | 0 | 0 | 112.1 | Q118 K119 G125 | Q118-L122 WeakPolarHBondContact O-CB 2.89Å; Q118-L122 PolarHBondContact O-N 2.96Å; K119-L122 PolarHBondContact O-N 3.29Å; L122-G125 PolarHBondContact O-N 3.32Å |
| 123 | L | 70.6 | Confident | 67.9 | Low | 124 Ų | 124 | 132.3 Ų | 132.3 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.5 | -41.5 | 173 | -73.6 | 163.6 | 0 | 0 | 0 | 111.7 | K119 C120 | K119-L123 HydrophobicContact CG-CD1 4.35Å; K119-L123 WeakPolarHBondContact O-CD1 3.39Å; K119-L123 WeakPolarHBondContact O-CG 3.14Å; K119-L123 PolarHBondContact O-N 2.65Å; C120-L123 PolarHBondContact O-N 3.29Å |
| 124 | R | 66.4 | Low | 66.4 | Low | 188 Ų | 188 | 134.1 Ų | 134.1 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.6 | -34.3 | 178.1 | -173.5 | 177.4 | -65.3 | -96.1 | -3.1 | 112.6 | C120 D121 S126 A127 | C120-R124 WeakPolarHBondContact O-CB 3.43Å; C120-R124 PolarHBondContact O-N 2.82Å; D121-R124 PolarHBondContact O-N 3.21Å; R124-S126 VanDerWaalsContact C-N 3.27Å; R124-S126 PolarHBondContact O-N 3.36Å; R124-A127 PolarHBondContact O-N 2.81Å |
| 125 | G | 54.2 | Low | 64.7 | Low | 50 Ų | 50 | 136.2 Ų | 136.2 | 52% | 0.515 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -68.1 | -20.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | D121 L122 | D121-G125 PolarHBondContact O-N 3.19Å; L122-G125 PolarHBondContact O-N 3.32Å |
| 126 | S | 52.2 | Low | 62.5 | Low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -30.4 | 177.6 | -163.8 | 0 | 0 | 0 | 0 | 113.1 | R124 L128 | R124-S126 VanDerWaalsContact C-N 3.27Å; R124-S126 PolarHBondContact O-N 3.36Å; S126-L128 PolarHBondContact O-N 3.35Å |
| 127 | A | 50.9 | Low | 60.3 | Low | 87 Ų | 87 | 141.6 Ų | 141.6 | 72% | 0.719 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -12.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R124 | R124-A127 PolarHBondContact O-N 2.81Š|
| 128 | L | 47.3 | Very low | 58.6 | Low | 150 Ų | 150 | 143.2 Ų | 143.2 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -134.4 | 62.1 | -173 | -80.5 | 165.7 | 0 | 0 | 0 | 111.8 | S126 | S126-L128 PolarHBondContact O-N 3.35Š| ||
| 129 | K | 52.4 | Low | 56.4 | Low | 180 Ų | 180 | 142.4 Ų | 142.4 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | trans | -60.6 | 140.9 | 164.1 | -81 | -171.7 | 175 | -179.5 | 0 | 110.5 | ||||
| 130 | N | 45.4 | Very low | 54.4 | Low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | 61.1 | 74.1 | 158.6 | -54.3 | -15.3 | 0 | 0 | 0 | 117.6 | ||||
| 131 | R | 47.2 | Very low | 52.5 | Low | 213 Ų | 213 | 147.6 Ų | 147.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -159.2 | 111.8 | 140 | -113.8 | 165.8 | -165.1 | -150.6 | 3.6 | 115.7 | ||||
| 132 | R | 46 | Very low | 50.4 | Low | 210 Ų | 210 | 151.1 Ų | 151.1 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | 71.9 | 145.8 | 151.2 | -61.3 | 168.3 | -178.1 | 177.6 | -2.1 | 117.6 | ||||
| 133 | H | 45.7 | Very low | 48.4 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -78.4 | 144.4 | -171.9 | -44.5 | -88.4 | 0 | 0 | 0 | 111.9 | I135 | H133-I135 PolarHBondContact O-N 3.02Š| ||
| 134 | P | 52.7 | Low | 46.7 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -71.6 | 110.9 | 169.1 | -12.6 | 28.3 | 0 | 0 | 0 | 110.5 | T136 | P134-T136 PolarHBondContact O-N 2.87Š| ||
| 135 | I | 50.3 | Low | 45.2 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -75 | 121.4 | 170.9 | -63.1 | 176.5 | 0 | 0 | 0 | 108.7 | H133 R137 | H133-I135 PolarHBondContact O-N 3.02Å; I135-R137 PolarHBondContact O-N 3.2Å | ||
| 136 | T | 43.2 | Very low | 44.4 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -73.9 | 89.2 | -179.2 | 40.3 | 0 | 0 | 0 | 0 | 112 | P134 K138 | P134-T136 PolarHBondContact O-N 2.87Å; T136-K138 PolarHBondContact O-N 2.79Å; T136-K138 VanDerWaalsContact O-N 3.08Å | ||
| 137 | R | 42.9 | Very low | 43.5 | Very low | 240 Ų | 240 | 154 Ų | 154 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -73.5 | 95.8 | 168.9 | -72.5 | -173.2 | 174.1 | -179.8 | -2.2 | 110.8 | I135 | I135-R137 PolarHBondContact O-N 3.2Š| ||
| 138 | K | 53 | Low | 42.5 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 142.7 | 159.5 | -68.8 | -175.2 | 177.1 | -177.4 | 0 | 109.4 | T136 | T136-K138 PolarHBondContact O-N 2.79Å; T136-K138 VanDerWaalsContact O-N 3.08Å |
| 139 | P | 41.4 | Very low | 41.8 | Very low | 111 Ų | 111 | 155.2 Ų | 155.2 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 143.8 | 167.6 | 31.6 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 140 | P | 43.1 | Very low | 40.7 | Very low | 125 Ų | 125 | 151 Ų | 151 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 142.8 | 167.9 | 30.8 | -33.2 | 0 | 0 | 0 | 110.3 | ||
| 141 | L | 39.3 | Very low | 40.1 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 138 | 166.7 | -77.7 | 76.9 | 0 | 0 | 0 | 108.8 | ||
| 142 | N | 37.8 | Very low | 39.1 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 127.4 | 178.4 | -166.1 | 6.5 | 0 | 0 | 0 | 110.2 | ||
| 143 | S | 35.3 | Very low | 38.8 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -157.1 | 104.3 | -175.1 | 175.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 144 | G | 34.2 | Very low | 37.9 | Very low | 60 Ų | 60 | 147.5 Ų | 147.5 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | trans | 83.6 | 98.7 | 133.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 145 | N | 34.1 | Very low | 36.8 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | 72.5 | 118.3 | 135.5 | -67.8 | -42.5 | 0 | 0 | 0 | 122.7 | ||||
| 146 | K | 38.9 | Very low | 35.6 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 66.7 | 138.2 | 137.3 | -53.1 | 170 | -170.9 | -177.6 | 0 | 116.3 | ||||
| 147 | H | 31.9 | Very low | 35.1 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | cis | -163 | 166.5 | 40 | -167.7 | -107.1 | 0 | 0 | 0 | 113.1 | ||||
| 148 | V | 30.9 | Very low | 34.4 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 60% | 0.6 | 80% | 0.802 | S | S | * | * | trans | -23.2 | 137.6 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 149 | L | 32 | Very low | 33.2 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | 169.2 | 115.1 | 129.1 | -87.9 | 172.5 | 0 | 0 | 0 | 107.1 | |||||
| 150 | A | 29 | Very low | 32.8 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | 78 | 96.4 | 51 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 151 | A | 32.5 | Very low | 32.4 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -160.4 | 138.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 152 | D | 27.6 | Very low | 32.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -79.6 | 163.5 | -169.7 | -39.7 | -69.5 | 0 | 0 | 0 | 114 | ||||
| 153 | R | 39.9 | Very low | 31.9 | Very low | 242 Ų | 242 | 145.9 Ų | 145.9 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | -173.3 | 117.5 | 112.2 | -94.2 | -70.3 | 163.8 | 164.4 | -2.3 | 111.1 | |||||
| 154 | E | 26.8 | Very low | 32.1 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 155.2 | 166.2 | -59.2 | 167.5 | 139.5 | 0 | 0 | 111 | ||||
| 155 | C | 28.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -158.9 | 108.9 | 154 | -108.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 156 | E | 25.7 | Very low | 31.8 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -82.1 | 147.5 | 179 | -76.2 | -66.9 | 164.1 | 0 | 0 | 112.9 | ||||
| 157 | H | 32.2 | Very low | 32.1 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -161.2 | 106.9 | 145.3 | -116.1 | 68.1 | 0 | 0 | 0 | 115.9 | ||||
| 158 | E | 28.7 | Very low | 31.8 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -10.4 | 128.3 | 150.1 | -71.4 | -71.8 | 177 | 0 | 0 | 120.6 | ||||
| 159 | G | 27.7 | Very low | 31.7 | Very low | 65 Ų | 65 | 144.4 Ų | 144.4 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | 95.4 | 80.4 | 92.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 160 | S | 32.9 | Very low | 31.7 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -170.4 | 128.6 | 145.1 | 47.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 161 | K | 34.3 | Very low | 32 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | cis | 100.9 | 113 | 41.8 | -84.1 | -175 | -179.1 | 176.1 | 0 | 113 | ||||
| 162 | E | 33.7 | Very low | 32.4 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | 69.7 | 157.5 | 161.7 | -58.1 | -163.4 | 131.9 | 0 | 0 | 117.4 | ||||
| 163 | K | 34.2 | Very low | 32.5 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | cis | -148.8 | 166.9 | 1.5 | -133.9 | 153.3 | -167.7 | 148.3 | 0 | 112.1 | ||||
| 164 | I | 38.3 | Very low | 31.8 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -89 | 146.8 | 179.5 | -61.8 | 159.1 | 0 | 0 | 0 | 110.9 | ||||
| 165 | S | 30.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -153.6 | 132.9 | 151.1 | -164.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 166 | T | 32 | Very low | 32.2 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | -117.8 | 153.9 | 164.1 | -35.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 167 | P | 45.3 | Very low | 32.4 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -144 | 151.5 | 111 | 44.7 | -32.5 | 0 | 0 | 0 | 110.6 | |||||
| 168 | E | 25.7 | Very low | 32.2 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 50.9 | 130.2 | 57.1 | -112.1 | -157.2 | 127.9 | 0 | 0 | 114.5 | |||||
| 169 | G | 28.5 | Very low | 32.1 | Very low | 59 Ų | 59 | 136.8 Ų | 136.8 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | cis | 173 | -176 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 170 | K | 31.6 | Very low | 32.6 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 71 | 125.1 | 175.1 | -50.9 | 176.5 | -175.3 | 176.5 | 0 | 114.1 | ||||
| 171 | A | 36.5 | Very low | 32.5 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | cis | 73.6 | 113.2 | 35.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 172 | K | 41.2 | Very low | 32.3 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 95% | 0.952 | 79% | 0.793 | S | S | * | * | trans | -143.2 | 125.4 | 158.1 | -79 | -165.9 | 176 | -178.4 | 0 | 109.9 | ||||
| 173 | E | 29.1 | Very low | 32.2 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -113.6 | 135.7 | 169.5 | 173.2 | -175.3 | -171.1 | 0 | 0 | 107.7 | ||||
| 174 | C | 25.3 | Very low | 32 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -179.1 | 128.6 | 151.7 | -93.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 175 | S | 33.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | 74.5 | 107.3 | 52.4 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 176 | N | 30.8 | Very low | 31.6 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -166.5 | 158.5 | 151.8 | -93.2 | -35.4 | 0 | 0 | 0 | 107 | ||||
| 177 | G | 29.4 | Very low | 31.7 | Very low | 66 Ų | 66 | 141.3 Ų | 141.3 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -167 | -167.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 178 | V | 27.8 | Very low | 31 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | 71 | 116.7 | -177.8 | -172.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 179 | V | 26.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | -167.5 | 138.3 | 117.1 | 146 | 0 | 0 | 0 | 0 | 108 | |||||
| 180 | I | 37.1 | Very low | 31.3 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -103.3 | 134.6 | 165.8 | -64.2 | 172.8 | 0 | 0 | 0 | 107 | ||||
| 181 | S | 32 | Very low | 31.2 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -144 | 138.7 | 165.3 | -72.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 182 | Q | 30.4 | Very low | 31 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -88.5 | 156 | 176.1 | -61.9 | 162.9 | -16 | 0 | 0 | 109.4 | ||||
| 183 | S | 30.9 | Very low | 30.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -139.2 | 123.2 | 144.8 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 184 | E | 29.9 | Very low | 30.7 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -72.5 | 156.3 | 167.2 | -56.4 | 178.5 | 119 | 0 | 0 | 109.1 | ||||
| 185 | N | 30.1 | Very low | 31.4 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | -143.5 | 137.3 | 146.4 | -115.9 | -35.6 | 0 | 0 | 0 | 110.5 | ||||
| 186 | K | 30.4 | Very low | 31.5 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | -136.4 | 113.9 | -155.4 | 173.1 | -175.8 | 178.3 | 177.4 | 0 | 109.8 | ||||
| 187 | S | 33 | Very low | 32 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -124.9 | 101.2 | 169.5 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 188 | N | 30.4 | Very low | 32.6 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -87.6 | 155.7 | 173.4 | -65.8 | 11.3 | 0 | 0 | 0 | 110.6 | ||||
| 189 | G | 29.5 | Very low | 32.8 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 155.5 | 91.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 190 | A | 31.6 | Very low | 33.2 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | 73.9 | 132.2 | 78.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 191 | T | 30.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -153.8 | 146.7 | 2.2 | 11 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 192 | E | 32.4 | Very low | 32.8 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | 40 | 135.5 | 90 | -36.4 | -42.9 | 142.9 | 0 | 0 | 114.7 | |||||
| 193 | E | 32 | Very low | 32.8 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | cis | -131.9 | -156.5 | 7.9 | -55 | -179.6 | 136.1 | 0 | 0 | 109.7 | ||||
| 194 | N | 30.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -154.6 | -161.5 | -4.6 | -148.4 | -47.9 | 0 | 0 | 0 | 109.8 | ||||
| 195 | S | 40.4 | Very low | 33.1 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -122.3 | 152.3 | 170.1 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 196 | E | 34.5 | Very low | 33.5 | Very low | 201 Ų | 201 | 132 Ų | 132 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -157.2 | 156.5 | 163.3 | -128.4 | 173.7 | -127.9 | 0 | 0 | 115.1 | ||||
| 197 | K | 42.3 | Very low | 34.1 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -165.8 | 125.6 | -176.2 | 177.5 | -162.7 | 172.6 | -172.1 | 0 | 114.2 | ||||
| 198 | P | 41.2 | Very low | 34 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -118.6 | 155.7 | 144.7 | 9.4 | 12.5 | 0 | 0 | 0 | 110.6 | ||||
| 199 | I | 32.7 | Very low | 34.8 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | cis | 115.8 | 116.8 | 15 | -73.7 | 172.9 | 0 | 0 | 0 | 112.9 | ||||
| 200 | A | 35.3 | Very low | 35.2 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | 77 | 142.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 201 | G | 30.4 | Very low | 35.7 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 100.9 | 128 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 202 | G | 29.5 | Very low | 36.4 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | cis | 173.9 | 141.4 | -11.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 203 | L | 31 | Very low | 37 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | trans | 68 | 163.6 | 166.2 | -66.4 | 174.5 | 0 | 0 | 0 | 120.5 | ||||
| 204 | L | 36.5 | Very low | 37.8 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -88 | 139 | -163.3 | -65.5 | 152.9 | 0 | 0 | 0 | 113.7 | ||||
| 205 | A | 31 | Very low | 38.8 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -156.7 | 134.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 206 | V | 37.6 | Very low | 39.2 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -147.4 | 132.9 | 168 | 173.1 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 207 | P | 43.8 | Very low | 39.8 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | cis | -133.5 | 175.8 | 37.8 | 42.8 | -28.3 | 0 | 0 | 0 | 115.9 | ||||
| 208 | E | 30 | Very low | 40.4 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | -166.2 | 161.4 | 118.7 | -170.3 | 142.6 | -153.6 | 0 | 0 | 110 | |||||
| 209 | I | 47.8 | Very low | 41.2 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -107.3 | 87.1 | 178.8 | -60.8 | 162.1 | 0 | 0 | 0 | 109.1 | ||||
| 210 | E | 37.3 | Very low | 42.3 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -99.2 | 139.5 | 170.9 | -163.1 | 168.9 | -145.2 | 0 | 0 | 111.6 | ||||
| 211 | R | 42.9 | Very low | 43.3 | Very low | 206 Ų | 206 | 141.7 Ų | 141.7 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | -98.6 | 158.4 | 177.6 | -66.6 | -176.4 | 175.8 | 92.4 | -3.3 | 110.1 | ||||
| 212 | T | 45.8 | Very low | 44.7 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | 57.2 | 88.7 | 164.2 | 53.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 213 | T | 45.1 | Very low | 45.9 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | -131.5 | 121.9 | 114.4 | 41.7 | 0 | 0 | 0 | 0 | 109.2 | K215 | T213-K215 PolarHBondContact O-N 3.18Š| |||
| 214 | G | 48.5 | Very low | 47 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -72.8 | 123.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G216 | G214-G216 PolarHBondContact O-N 3.21Š| ||
| 215 | K | 50.5 | Low | 47.9 | Very low | 207 Ų | 207 | 136 Ų | 136 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | trans | -57.5 | 107.6 | 165.4 | -100.1 | 103.5 | 173.3 | -178.5 | 0 | 107.4 | T213 V217 | T213-K215 PolarHBondContact O-N 3.18Å; K215-V217 PolarHBondContact O-N 2.85Å | ||
| 216 | G | 49 | Very low | 48.9 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | trans | -58.2 | 124.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | G214 S218 | G214-G216 PolarHBondContact O-N 3.21Å; G216-S218 VanDerWaalsContact C-N 3.3Å; G216-S218 PolarHBondContact O-N 2.99Å | ||
| 217 | V | 47.5 | Very low | 49.7 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -70.5 | 97.3 | 169 | -179.9 | 0 | 0 | 0 | 0 | 106 | K215 R219 | K215-V217 PolarHBondContact O-N 2.85Å; V217-R219 HydrophobicContact CG1-CG 3.94Å; V217-R219 WeakPolarHBondContact O-CG 3.47Å; V217-R219 PolarHBondContact O-N 3.1Å | ||
| 218 | S | 55.6 | Low | 49.9 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -65.2 | 79.6 | 168.9 | -62.6 | 0 | 0 | 0 | 0 | 108.6 | G216 S220 | G216-S218 VanDerWaalsContact C-N 3.3Å; G216-S218 PolarHBondContact O-N 2.99Å; S218-S220 PolarHBondContact O-N 2.88Å; S218-S220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | R | 57.5 | Low | 50.9 | Low | 212 Ų | 212 | 134.9 Ų | 134.9 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | trans | -59.9 | 117.9 | 173 | -55.6 | -176.2 | 82.4 | 173.6 | 4.6 | 105.8 | V217 H221 | V217-R219 HydrophobicContact CG1-CG 3.94Å; V217-R219 WeakPolarHBondContact O-CG 3.47Å; V217-R219 PolarHBondContact O-N 3.1Å; R219-H221 PolarHBondContact O-N 3.22Å; R219-H221 VanDerWaalsContact O-N 3.11Å | ||
| 220 | S | 55.6 | Low | 51.2 | Low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -49.7 | 122.8 | -178.2 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | S218 S222 | S218-S220 PolarHBondContact O-N 2.88Å; S218-S220 VanDerWaalsContact O-N 3.14Å; S220-S222 PolarHBondContact O-N 3.42Å | ||
| 221 | H | 56.1 | Low | 52 | Low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | trans | -75.5 | 74 | 177.1 | -123.8 | -97.7 | 0 | 0 | 0 | 107.2 | R219 D223 | R219-H221 PolarHBondContact O-N 3.22Å; R219-H221 VanDerWaalsContact O-N 3.11Å; H221-D223 PolarHBondContact O-N 3.22Å; H221-D223 VanDerWaalsContact O-N 3.13Å | ||
| 222 | S | 59.2 | Low | 52.5 | Low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | -62.9 | 116.2 | 169.5 | 49.8 | 0 | 0 | 0 | 0 | 107.2 | S220 I224 | S220-S222 PolarHBondContact O-N 3.42Å; S222-I224 PolarHBondContact O-N 2.91Å | ||
| 223 | D | 54.6 | Low | 53.3 | Low | 103 Ų | 103 | 125.4 Ų | 125.4 | 55% | 0.551 | 69% | 0.688 | S | S | * | * | trans | -68 | 81.1 | -175.1 | -74.7 | -57.4 | 0 | 0 | 0 | 111.1 | H221 S225 S226 | H221-D223 PolarHBondContact O-N 3.22Å; H221-D223 VanDerWaalsContact O-N 3.13Å; D223-S225 PolarHBondContact O-N 2.65Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.07Å; D223-S226 PolarHBondContact O-OG 2.86Å | ||
| 224 | I | 56.1 | Low | 54.5 | Low | 118 Ų | 118 | 124.4 Ų | 124.4 | 61% | 0.605 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -56.8 | -30.2 | 165.4 | -141.2 | 73.7 | 0 | 0 | 0 | 109.2 | S222 S226 R227 Y228 | S222-I224 PolarHBondContact O-N 2.91Å; I224-S226 VanDerWaalsContact C-N 3.32Å; I224-S226 PolarHBondContact O-N 3.16Å; I224-R227 PolarHBondContact O-N 3.09Å; I224-Y228 HydrophobicContact CG1-CE2 4.48Å; I224-Y228 WeakPolarHBondContact O-CD2 3.33Å; I224-Y228 PolarHBondContact O-N 3.08Å |
| 225 | S | 54.9 | Low | 55.8 | Low | 77 Ų | 77 | 123.1 Ų | 123.1 | 54% | 0.538 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -50.7 | -46.9 | 167.4 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | D223 R227 Y228 S229 | D223-S225 PolarHBondContact O-N 2.65Å; S225-R227 PolarHBondContact O-N 3Å; S225-R227 VanDerWaalsContact O-N 3.09Å; S225-Y228 CarbonylContact O-C 3.41Å; S225-Y228 PolarHBondContact O-N 2.84Å; S225-S229 WeakPolarHBondContact O-CA 3.38Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 2.71Å |
| 226 | S | 52.4 | Low | 57.1 | Low | 80 Ų | 80 | 118 Ų | 118 | 56% | 0.559 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -60.6 | -22.4 | 178.6 | 74.2 | 0 | 0 | 0 | 0 | 114.6 | D223 I224 S229 | D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.07Å; D223-S226 PolarHBondContact O-OG 2.86Å; I224-S226 VanDerWaalsContact C-N 3.32Å; I224-S226 PolarHBondContact O-N 3.16Å; S226-S229 WeakPolarHBondContact CA-OG 3.25Å; S226-S229 PolarHBondContact O-OG 2.92Å |
| 227 | R | 53.6 | Low | 58.7 | Low | 192 Ų | 192 | 117.8 Ų | 117.8 | 73% | 0.725 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -92.8 | -5.5 | 176.5 | -66 | -167.3 | 174.9 | -148.4 | -2.1 | 114 | I224 S225 | I224-R227 PolarHBondContact O-N 3.09Å; S225-R227 PolarHBondContact O-N 3Å; S225-R227 VanDerWaalsContact O-N 3.09Å |
| 228 | Y | 47.7 | Very low | 60.4 | Low | 187 Ų | 187 | 117.4 Ų | 117.4 | 73% | 0.733 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | -8.3 | 175.1 | -73.6 | -77.6 | 0 | 0 | 0 | 112.9 | I224 S225 K230 | I224-Y228 HydrophobicContact CG1-CE2 4.48Å; I224-Y228 WeakPolarHBondContact O-CD2 3.33Å; I224-Y228 PolarHBondContact O-N 3.08Å; S225-Y228 CarbonylContact O-C 3.41Å; S225-Y228 PolarHBondContact O-N 2.84Å; Y228-K230 PolarHBondContact O-N 2.96Å |
| 229 | S | 50.6 | Low | 61.9 | Low | 71 Ų | 71 | 111.9 Ų | 111.9 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | 91.6 | -178.4 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | S225 S226 N231 | S225-S229 WeakPolarHBondContact O-CA 3.38Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 2.71Å; S226-S229 WeakPolarHBondContact CA-OG 3.25Å; S226-S229 PolarHBondContact O-OG 2.92Å; S229-N231 PolarHBondContact O-N 3.48Å |
| 230 | K | 55.8 | Low | 63.2 | Low | 186 Ų | 186 | 106.8 Ų | 106.8 | 81% | 0.809 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 54.9 | 176.9 | -163.9 | -178.8 | -179 | -179.1 | 0 | 111.1 | Y228 F232 | Y228-K230 PolarHBondContact O-N 2.96Å; K230-F232 PolarHBondContact O-N 3.07Å |
| 231 | N | 53.2 | Low | 64.5 | Low | 114 Ų | 114 | 111.4 Ų | 111.4 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | trans | -68.6 | 70.9 | 176.7 | -163.8 | 99.8 | 0 | 0 | 0 | 111.1 | S229 A233 | S229-N231 PolarHBondContact O-N 3.48Å; N231-A233 PolarHBondContact O-N 3.24Å | ||
| 232 | F | 54.3 | Low | 65.8 | Low | 136 Ų | 136 | 106.4 Ų | 106.4 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | trans | -63.8 | 82.7 | 155.1 | -133.4 | -91 | 0 | 0 | 0 | 105.4 | K230 F235 | K230-F232 PolarHBondContact O-N 3.07Å; F232-F235 HydrophobicContact CD1-CD2 4.45Å | ||
| 233 | A | 60.7 | Low | 67.1 | Low | 50 Ų | 50 | 105.2 Ų | 105.2 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | trans | -55.2 | 143.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | N231 F235 | N231-A233 PolarHBondContact O-N 3.24Å; A233-F235 WeakPolarHBondContact O-CD2 3.49Å; A233-F235 PolarHBondContact O-N 3.1Å | ||
| 234 | D | 71.7 | Confident | 68.5 | Low | 120 Ų | 120 | 103.5 Ų | 103.5 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | trans | -69.9 | 82.1 | -178.2 | -68.8 | -49.9 | 0 | 0 | 0 | 109.8 | D236 A237 F238 | D234-D236 PolarHBondContact O-N 3.24Å; D234-A237 HydrophobicContact CB-CB 3.64Å; D234-A237 PolarHBondContact O-N 2.76Å; D234-F238 PolarHBondContact O-N 3.14Å | ||
| 235 | F | 75 | Confident | 69.8 | Low | 49 Ų | 49 | 101.8 Ų | 101.8 | 22% | 0.215 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -54.3 | -41.8 | 178.8 | -75.3 | -81.1 | 0 | 0 | 0 | 109.8 | F232 A233 F238 F239 | F232-F235 HydrophobicContact CD1-CD2 4.45Å; A233-F235 WeakPolarHBondContact O-CD2 3.49Å; A233-F235 PolarHBondContact O-N 3.1Å; F235-F238 PolarHBondContact O-N 3.07Å; F235-F239 VanDerWaalsContact C-CD2 3.46Å; F235-F239 HydrophobicContact CB-CD2 4.19Å; F235-F239 HydrophobicContact CB-CE2 3.77Å; F235-F239 HydrophobicContact CD1-CE2 4.35Å; F235-F239 HydrophobicContact CD1-CZ 4.3Å; F235-F239 WeakPolarHBondContact O-CB 3.21Å; F235-F239 WeakPolarHBondContact O-CD2 3.42Å; F235-F239 WeakPolarHBondContact O-CG 3.34Å; F235-F239 PolarHBondContact O-N 3.22Å |
| 236 | D | 78.1 | Confident | 71 | Confident | 99 Ų | 99 | 99.6 Ų | 99.6 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 174 | -169.4 | 48.2 | 0 | 0 | 0 | 111.9 | D234 F238 F239 K240 | D234-D236 PolarHBondContact O-N 3.24Å; D236-F238 VanDerWaalsContact C-N 3.33Å; D236-F238 PolarHBondContact O-N 2.84Å; D236-F239 PolarHBondContact O-N 2.76Å; D236-K240 WeakPolarHBondContact O-CB 2.96Å; D236-K240 WeakPolarHBondContact O-CG 3.46Å; D236-K240 PolarHBondContact O-N 3.1Å; D236-K240 WeakPolarHBondContact OD1-CE 3.5Å |
| 237 | A | 82.4 | Confident | 72.3 | Confident | 59 Ų | 59 | 102.9 Ų | 102.9 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D234 Y241 | D234-A237 HydrophobicContact CB-CB 3.64Å; D234-A237 PolarHBondContact O-N 2.76Å; A237-Y241 WeakPolarHBondContact O-CB 3.24Å; A237-Y241 PolarHBondContact O-N 2.86Å |
| 238 | F | 83.7 | Confident | 73.6 | Confident | 119 Ų | 119 | 97.4 Ų | 97.4 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 172.9 | 167.8 | -100.5 | 0 | 0 | 0 | 111.9 | D234 F235 D236 Y241 C242 | D234-F238 PolarHBondContact O-N 3.14Å; F235-F238 PolarHBondContact O-N 3.07Å; D236-F238 VanDerWaalsContact C-N 3.33Å; D236-F238 PolarHBondContact O-N 2.84Å; F238-Y241 PolarHBondContact O-N 2.86Å; F238-C242 PolarHBondContact O-N 3Å; F238-C242 PolarHBondContact O-SG 2.86Å; F238-C242 VanDerWaalsContact O-SG 3.39Å |
| 239 | F | 86.5 | Confident | 75.3 | Confident | 2 Ų | 2 | 88.8 Ų | 88.8 | 1% | 0.009 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66.9 | -42.5 | -179.8 | -65.5 | -47 | 0 | 0 | 0 | 111.9 | F235 D236 Y241 C242 G243 L244 I249 F257 | F235-F239 VanDerWaalsContact C-CD2 3.46Å; F235-F239 HydrophobicContact CB-CD2 4.19Å; F235-F239 HydrophobicContact CB-CE2 3.77Å; F235-F239 HydrophobicContact CD1-CE2 4.35Å; F235-F239 HydrophobicContact CD1-CZ 4.3Å; F235-F239 WeakPolarHBondContact O-CB 3.21Å; F235-F239 WeakPolarHBondContact O-CD2 3.42Å; F235-F239 WeakPolarHBondContact O-CG 3.34Å; F235-F239 PolarHBondContact O-N 3.22Å; D236-F239 PolarHBondContact O-N 2.76Å; F239-Y241 VanDerWaalsContact C-N 3.33Å; F239-Y241 PolarHBondContact O-N 2.72Å; F239-C242 CarbonylContact O-C 3.54Å; F239-C242 WeakPolarHBondContact O-CA 3.42Å; F239-C242 WeakPolarHBondContact O-CB 3.39Å; F239-C242 PolarHBondContact O-N 3.2Å; F239-G243 PolarHBondContact O-N 3.31Å; F239-L244 CarbonylContact C-O 3.46Å; F239-L244 HydrophobicContact CB-CB 4.06Å; F239-L244 HydrophobicContact CD1-CD1 3.93Å; F239-L244 PolarHBondContact O-N 3.43Å; F239-I249 HydrophobicContact CB-CD1 3.44Å; F239-I249 VanDerWaalsContact CB-CD1 3.44Å; F239-I249 HydrophobicContact CB-CG1 4.14Å; F239-I249 HydrophobicContact CD1-CG1 4.36Å; F239-I249 HydrophobicContact CD2-CB 4.41Å; F239-I249 HydrophobicContact CD2-CD1 3.5Å; F239-I249 HydrophobicContact CD2-CG1 3.77Å; F239-I249 HydrophobicContact CD2-CG2 3.74Å; F239-I249 HydrophobicContact CE2-CD1 4.38Å; F239-I249 HydrophobicContact CE2-CG1 4.22Å; F239-I249 HydrophobicContact CE2-CG2 3.46Å; F239-I249 VanDerWaalsContact CE2-CG2 3.46Å; F239-I249 HydrophobicContact CG-CD1 3.6Å; F239-I249 HydrophobicContact CG-CG1 3.86Å; F239-I249 HydrophobicContact CZ-CG2 4.1Å; F239-F257 HydrophobicContact CE1-CB 4.36Å; F239-F257 AromaticContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD2 4.27Å; F239-F257 AromaticContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE2 4.47Å; F239-F257 AromaticContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CZ 4.31Å; F239-F257 HydrophobicContact CZ-CB 3.73Å; F239-F257 AromaticContact CZ-CD1 3.88Å; F239-F257 HydrophobicContact CZ-CD1 3.88Å; F239-F257 AromaticContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CE1 4.37Å; F239-F257 HydrophobicContact CZ-CE2 4.24Å; F239-F257 AromaticContact CZ-CG 3.51Å; F239-F257 HydrophobicContact CZ-CG 3.51Å |
| 240 | K | 85.5 | Confident | 76.7 | Confident | 105 Ų | 105 | 92.2 Ų | 92.2 | 46% | 0.457 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 174.4 | -63.1 | -69.5 | 176.8 | 173.1 | 0 | 111.8 | D236 C242 G243 D245 | D236-K240 WeakPolarHBondContact O-CB 2.96Å; D236-K240 WeakPolarHBondContact O-CG 3.46Å; D236-K240 PolarHBondContact O-N 3.1Å; D236-K240 WeakPolarHBondContact OD1-CE 3.5Å; K240-C242 VanDerWaalsContact C-N 3.34Å; K240-G243 PolarHBondContact O-N 3.01Å; K240-G243 VanDerWaalsContact O-N 3.15Å; K240-D245 IonicContact NZ-OD1 3.55Å; K240-D245 PolarHBondContact NZ-OD1 3.23Å |
| 241 | Y | 81.9 | Confident | 77.9 | Confident | 208 Ų | 208 | 89.2 Ų | 89.2 | 82% | 0.816 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64 | -36.7 | 170 | 178 | -96.2 | 0 | 0 | 0 | 112.6 | A237 F238 F239 G243 | A237-Y241 WeakPolarHBondContact O-CB 3.24Å; A237-Y241 PolarHBondContact O-N 2.86Å; F238-Y241 PolarHBondContact O-N 2.86Å; F239-Y241 VanDerWaalsContact C-N 3.33Å; F239-Y241 PolarHBondContact O-N 2.72Å; Y241-G243 PolarHBondContact O-N 2.82Å |
| 242 | C | 84.3 | Confident | 78.9 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 45% | 0.446 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -0.7 | 172.8 | -70.2 | 0 | 0 | 0 | 0 | 114.4 | F238 F239 K240 L244 | F238-C242 PolarHBondContact O-N 3Å; F238-C242 PolarHBondContact O-SG 2.86Å; F238-C242 VanDerWaalsContact O-SG 3.39Å; F239-C242 CarbonylContact O-C 3.54Å; F239-C242 WeakPolarHBondContact O-CA 3.42Å; F239-C242 WeakPolarHBondContact O-CB 3.39Å; F239-C242 PolarHBondContact O-N 3.2Å; K240-C242 VanDerWaalsContact C-N 3.34Å; C242-L244 HydrophobicContact CB-CD1 4.2Å; C242-L244 HydrophobicContact CB-CG 4.32Å; C242-L244 PolarHBondContact O-N 2.87Å |
| 243 | G | 85.6 | Confident | 79.8 | Confident | 69 Ų | 69 | 82.7 Ų | 82.7 | 71% | 0.711 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 16.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F239 K240 Y241 | F239-G243 PolarHBondContact O-N 3.31Å; K240-G243 PolarHBondContact O-N 3.01Å; K240-G243 VanDerWaalsContact O-N 3.15Å; Y241-G243 PolarHBondContact O-N 2.82Å |
| 244 | L | 85 | Confident | 80.2 | Confident | 67 Ų | 67 | 86.7 Ų | 86.7 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | trans | -87.2 | 135.6 | 174.3 | -68.9 | 168.8 | 0 | 0 | 0 | 109.6 | F239 C242 I249 | F239-L244 CarbonylContact C-O 3.46Å; F239-L244 HydrophobicContact CB-CB 4.06Å; F239-L244 HydrophobicContact CD1-CD1 3.93Å; F239-L244 PolarHBondContact O-N 3.43Å; C242-L244 HydrophobicContact CB-CD1 4.2Å; C242-L244 HydrophobicContact CB-CG 4.32Å; C242-L244 PolarHBondContact O-N 2.87Å; L244-I249 HydrophobicContact CB-CD1 4.47Å; L244-I249 HydrophobicContact CB-CG1 4.4Å | ||
| 245 | D | 82.4 | Confident | 80.1 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | trans | -105.2 | 158.4 | -175.8 | -162 | 29.1 | 0 | 0 | 0 | 113.9 | K240 E247 V248 I249 | K240-D245 IonicContact NZ-OD1 3.55Å; K240-D245 PolarHBondContact NZ-OD1 3.23Å; D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 2.89Å; D245-V248 WeakPolarHBondContact O-CB 3.37Å; D245-V248 PolarHBondContact O-N 3.29Å; D245-I249 VanDerWaalsContact O-CD1 3.25Å; D245-I249 WeakPolarHBondContact O-CD1 3.34Å; D245-I249 WeakPolarHBondContact O-CG1 3.48Å; D245-I249 PolarHBondContact O-N 3.5Å; D245-I249 VanDerWaalsContact O-N 3.1Å | ||
| 246 | G | 80.9 | Confident | 79.9 | Confident | 32 Ų | 32 | 90.7 Ų | 90.7 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -49.1 | -47.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V248 I249 E250 | G246-V248 VanDerWaalsContact C-N 3.34Å; G246-V248 PolarHBondContact O-N 3.36Å; G246-I249 PolarHBondContact O-N 3.32Å; G246-E250 WeakPolarHBondContact O-CB 3.27Å; G246-E250 PolarHBondContact O-N 2.91Å |
| 247 | E | 79.5 | Confident | 79.4 | Confident | 148 Ų | 148 | 89.7 Ų | 89.7 | 69% | 0.692 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | -178.8 | -56.3 | -178 | 178.4 | 0 | 0 | 112.6 | D245 T251 | D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 2.89Å; E247-T251 WeakPolarHBondContact O-CB 3.48Å; E247-T251 WeakPolarHBondContact O-CG2 3.24Å; E247-T251 PolarHBondContact O-N 3.32Å; E247-T251 PolarHBondContact O-OG1 3.49Å |
| 248 | V | 81.9 | Confident | 78.3 | Confident | 77 Ų | 77 | 89 Ų | 89 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | D245 G246 T251 L252 | D245-V248 WeakPolarHBondContact O-CB 3.37Å; D245-V248 PolarHBondContact O-N 3.29Å; G246-V248 VanDerWaalsContact C-N 3.34Å; G246-V248 PolarHBondContact O-N 3.36Å; V248-T251 WeakPolarHBondContact CA-OG1 3.47Å; V248-T251 PolarHBondContact O-OG1 3.01Å; V248-L252 VanDerWaalsContact O-CB 3.24Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 PolarHBondContact O-N 3.05Å; V248-L252 VanDerWaalsContact O-N 3.1Å |
| 249 | I | 82 | Confident | 76.9 | Confident | 7 Ų | 7 | 88.2 Ų | 88.2 | 4% | 0.036 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -72.1 | -36.2 | 178 | -58.9 | 149 | 0 | 0 | 0 | 110.7 | F239 L244 D245 G246 G253 R254 F257 | F239-I249 HydrophobicContact CB-CD1 3.44Å; F239-I249 VanDerWaalsContact CB-CD1 3.44Å; F239-I249 HydrophobicContact CB-CG1 4.14Å; F239-I249 HydrophobicContact CD1-CG1 4.36Å; F239-I249 HydrophobicContact CD2-CB 4.41Å; F239-I249 HydrophobicContact CD2-CD1 3.5Å; F239-I249 HydrophobicContact CD2-CG1 3.77Å; F239-I249 HydrophobicContact CD2-CG2 3.74Å; F239-I249 HydrophobicContact CE2-CD1 4.38Å; F239-I249 HydrophobicContact CE2-CG1 4.22Å; F239-I249 HydrophobicContact CE2-CG2 3.46Å; F239-I249 VanDerWaalsContact CE2-CG2 3.46Å; F239-I249 HydrophobicContact CG-CD1 3.6Å; F239-I249 HydrophobicContact CG-CG1 3.86Å; F239-I249 HydrophobicContact CZ-CG2 4.1Å; L244-I249 HydrophobicContact CB-CD1 4.47Å; L244-I249 HydrophobicContact CB-CG1 4.4Å; D245-I249 VanDerWaalsContact O-CD1 3.25Å; D245-I249 WeakPolarHBondContact O-CD1 3.34Å; D245-I249 WeakPolarHBondContact O-CG1 3.48Å; D245-I249 PolarHBondContact O-N 3.5Å; D245-I249 VanDerWaalsContact O-N 3.1Å; G246-I249 PolarHBondContact O-N 3.32Å; I249-G253 CarbonylContact O-C 3.5Å; I249-G253 VanDerWaalsContact O-C 3.29Å; I249-G253 PolarHBondContact O-N 2.96Å; I249-G253 VanDerWaalsContact O-N 3.14Å; I249-R254 HydrophobicContact CG2-CB 4.1Å; I249-R254 HydrophobicContact CG2-CG 3.73Å; I249-R254 PolarHBondContact O-N 3.46Å; I249-F257 HydrophobicContact CG2-CE2 4.39Å |
| 250 | E | 80.9 | Confident | 75.4 | Confident | 142 Ų | 142 | 97 Ų | 97 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.3 | -45.1 | 177.5 | -173.5 | 158.4 | 64.7 | 0 | 0 | 111.8 | G246 L252 G253 | G246-E250 WeakPolarHBondContact O-CB 3.27Å; G246-E250 PolarHBondContact O-N 2.91Å; E250-L252 PolarHBondContact O-N 3.46Å; E250-G253 PolarHBondContact O-N 3.38Å; E250-G253 VanDerWaalsContact O-N 3.07Å |
| 251 | T | 79.9 | Confident | 73.7 | Confident | 123 Ų | 123 | 97.2 Ų | 97.2 | 76% | 0.755 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -32.8 | 177.2 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | E247 V248 G253 | E247-T251 WeakPolarHBondContact O-CB 3.48Å; E247-T251 WeakPolarHBondContact O-CG2 3.24Å; E247-T251 PolarHBondContact O-N 3.32Å; E247-T251 PolarHBondContact O-OG1 3.49Å; V248-T251 WeakPolarHBondContact CA-OG1 3.47Å; V248-T251 PolarHBondContact O-OG1 3.01Å; T251-G253 VanDerWaalsContact C-N 3.31Å |
| 252 | L | 74.8 | Confident | 72.2 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.7 | 172.1 | -172.6 | 48.1 | 0 | 0 | 0 | 113.2 | V248 E250 N256 F257 | V248-L252 VanDerWaalsContact O-CB 3.24Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 PolarHBondContact O-N 3.05Å; V248-L252 VanDerWaalsContact O-N 3.1Å; E250-L252 PolarHBondContact O-N 3.46Å; L252-N256 PolarHBondContact O-ND2 2.92Å; L252-F257 HydrophobicContact CB-CE2 4.31Å; L252-F257 HydrophobicContact CB-CZ 4.5Å; L252-F257 HydrophobicContact CD2-CE2 4.32Å; L252-F257 HydrophobicContact CD2-CZ 3.74Å; L252-F257 HydrophobicContact CG-CE2 4.13Å; L252-F257 HydrophobicContact CG-CZ 4.05Å |
| 253 | G | 73.4 | Confident | 70.7 | Confident | 10 Ų | 10 | 98 Ų | 98 | 10% | 0.103 | 54% | 0.537 | C | S | . | . | trans | 78.2 | 113.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I249 E250 T251 E255 N256 F257 | I249-G253 CarbonylContact O-C 3.5Å; I249-G253 VanDerWaalsContact O-C 3.29Å; I249-G253 PolarHBondContact O-N 2.96Å; I249-G253 VanDerWaalsContact O-N 3.14Å; E250-G253 PolarHBondContact O-N 3.38Å; E250-G253 VanDerWaalsContact O-N 3.07Å; T251-G253 VanDerWaalsContact C-N 3.31Å; G253-E255 WeakPolarHBondContact CA-OE2 3.46Å; G253-E255 PolarHBondContact O-N 2.81Å; G253-N256 WeakPolarHBondContact O-CB 3.43Å; G253-N256 PolarHBondContact O-N 3.27Å; G253-N256 VanDerWaalsContact O-N 3.07Å; G253-F257 WeakPolarHBondContact O-CD2 3.47Å | ||
| 254 | R | 69.6 | Low | 69.2 | Low | 135 Ų | 135 | 100.7 Ų | 100.7 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.3 | -177.5 | -159.6 | 170.1 | 75.1 | -102.5 | -1.4 | 113 | I249 | I249-R254 HydrophobicContact CG2-CB 4.1Å; I249-R254 HydrophobicContact CG2-CG 3.73Å; I249-R254 PolarHBondContact O-N 3.46Å |
| 255 | E | 68.3 | Low | 67.6 | Low | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -26.5 | 171.9 | 60.1 | -69.9 | -73.8 | 0 | 0 | 113.3 | G253 F257 S258 | G253-E255 WeakPolarHBondContact CA-OE2 3.46Å; G253-E255 PolarHBondContact O-N 2.81Å; E255-F257 PolarHBondContact O-N 3.25Å; E255-S258 WeakPolarHBondContact O-CB 3.39Å; E255-S258 PolarHBondContact O-N 2.66Å |
| 256 | N | 72 | Confident | 66.3 | Low | 125 Ų | 125 | 106.6 Ų | 106.6 | 67% | 0.668 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -22 | 177.7 | -67.6 | -55.8 | 0 | 0 | 0 | 113.2 | L252 G253 | L252-N256 PolarHBondContact O-ND2 2.92Å; G253-N256 WeakPolarHBondContact O-CB 3.43Å; G253-N256 PolarHBondContact O-N 3.27Å; G253-N256 VanDerWaalsContact O-N 3.07Å |
| 257 | F | 66.4 | Low | 64.6 | Low | 78 Ų | 78 | 111.3 Ų | 111.3 | 34% | 0.342 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8.8 | 171.8 | -61.2 | -84.7 | 0 | 0 | 0 | 113.7 | F239 I249 L252 G253 E255 | F239-F257 HydrophobicContact CE1-CB 4.36Å; F239-F257 AromaticContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD2 4.27Å; F239-F257 AromaticContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE2 4.47Å; F239-F257 AromaticContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CZ 4.31Å; F239-F257 HydrophobicContact CZ-CB 3.73Å; F239-F257 AromaticContact CZ-CD1 3.88Å; F239-F257 HydrophobicContact CZ-CD1 3.88Å; F239-F257 AromaticContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CE1 4.37Å; F239-F257 HydrophobicContact CZ-CE2 4.24Å; F239-F257 AromaticContact CZ-CG 3.51Å; F239-F257 HydrophobicContact CZ-CG 3.51Å; I249-F257 HydrophobicContact CG2-CE2 4.39Å; L252-F257 HydrophobicContact CB-CE2 4.31Å; L252-F257 HydrophobicContact CB-CZ 4.5Å; L252-F257 HydrophobicContact CD2-CE2 4.32Å; L252-F257 HydrophobicContact CD2-CZ 3.74Å; L252-F257 HydrophobicContact CG-CE2 4.13Å; L252-F257 HydrophobicContact CG-CZ 4.05Å; G253-F257 WeakPolarHBondContact O-CD2 3.47Å; E255-F257 PolarHBondContact O-N 3.25Å |
| 258 | S | 60.2 | Low | 63 | Low | 44 Ų | 44 | 110.5 Ų | 110.5 | 31% | 0.308 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -95.7 | 117.5 | -177.8 | -166.9 | 0 | 0 | 0 | 0 | 110.2 | E255 R260 | E255-S258 WeakPolarHBondContact O-CB 3.39Å; E255-S258 PolarHBondContact O-N 2.66Å; S258-R260 PolarHBondContact O-N 3.31Å |
| 259 | A | 54.4 | Low | 61.2 | Low | 103 Ų | 103 | 116.9 Ų | 116.9 | 85% | 0.851 | 60% | 0.601 | S | S | * | * | trans | -72.2 | 28.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S261 | A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 3.01Å; A259-S261 VanDerWaalsContact O-N 3.07Å | ||
| 260 | R | 54.6 | Low | 59.5 | Low | 187 Ų | 187 | 121.6 Ų | 121.6 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -84.9 | 64.2 | 175.6 | -65.6 | -165.1 | 79.3 | 172.6 | 6 | 111.8 | S258 E263 | S258-R260 PolarHBondContact O-N 3.31Å; R260-E263 IonicContact CZ-OE2 2.64Å; R260-E263 IonicContact NE-OE2 2.67Å; R260-E263 IonicContact NH2-OE2 2.75Å; R260-E263 PolarHBondContact NH2-OE2 3.38Å | ||
| 261 | S | 50.7 | Low | 57.7 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 63% | 0.632 | S | S | * | * | trans | -123.6 | 21.8 | 171.3 | -152.7 | 0 | 0 | 0 | 0 | 112.8 | A259 | A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 3.01Å; A259-S261 VanDerWaalsContact O-N 3.07Å | ||
| 262 | D | 50.3 | Low | 55.7 | Low | 147 Ų | 147 | 118.9 Ų | 118.9 | 79% | 0.786 | 63% | 0.632 | S | S | * | * | trans | -145.6 | 44 | 176.1 | -122.1 | -20.3 | 0 | 0 | 0 | 112.2 | I264 | D262-I264 VanDerWaalsContact C-N 3.34Š| ||
| 263 | E | 52.5 | Low | 54.1 | Low | 142 Ų | 142 | 122.1 Ų | 122.1 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | trans | -106.1 | 39.9 | 158.5 | -159.6 | 172.4 | 171.2 | 0 | 0 | 109.8 | R260 V265 | R260-E263 IonicContact CZ-OE2 2.64Å; R260-E263 IonicContact NE-OE2 2.67Å; R260-E263 IonicContact NH2-OE2 2.75Å; R260-E263 PolarHBondContact NH2-OE2 3.38Å; E263-V265 PolarHBondContact O-N 2.91Å; E263-V265 VanDerWaalsContact O-N 3.16Å | ||
| 264 | I | 54.5 | Low | 52.4 | Low | 127 Ų | 127 | 126.4 Ų | 126.4 | 65% | 0.651 | 68% | 0.676 | S | S | * | * | trans | -67.6 | 112.7 | 170 | -61.4 | 174.9 | 0 | 0 | 0 | 106.8 | D262 I266 | D262-I264 VanDerWaalsContact C-N 3.34Å; I264-I266 WeakPolarHBondContact O-CG1 3.37Å; I264-I266 PolarHBondContact O-N 3.45Å | ||
| 265 | V | 50.2 | Low | 51.4 | Low | 125 Ų | 125 | 126.7 Ų | 126.7 | 76% | 0.758 | 69% | 0.693 | S | S | * | * | trans | -55.9 | 108.7 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | E263 N267 | E263-V265 PolarHBondContact O-N 2.91Å; E263-V265 VanDerWaalsContact O-N 3.16Å; V265-N267 HydrophobicContact CG1-CB 4.38Å; V265-N267 PolarHBondContact O-N 2.83Å | ||
| 266 | I | 54.3 | Low | 50.1 | Low | 146 Ų | 146 | 126.1 Ų | 126.1 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -74.9 | 68 | 178.7 | -30.4 | 175.8 | 0 | 0 | 0 | 108.8 | I264 I268 | I264-I266 WeakPolarHBondContact O-CG1 3.37Å; I264-I266 PolarHBondContact O-N 3.45Å; I266-I268 HydrophobicContact CG2-CD1 4.32Å; I266-I268 HydrophobicContact CG2-CG1 3.81Å; I266-I268 PolarHBondContact O-N 3.1Å | ||
| 267 | N | 46.3 | Very low | 48.9 | Very low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -72.8 | 83.6 | 172.9 | -172.8 | 6 | 0 | 0 | 0 | 108.1 | V265 R269 | V265-N267 HydrophobicContact CG1-CB 4.38Å; V265-N267 PolarHBondContact O-N 2.83Å; N267-R269 PolarHBondContact O-N 3.42Å | ||
| 268 | I | 44.9 | Very low | 47.7 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | -68.5 | 79.6 | 177.4 | -54.3 | 174.6 | 0 | 0 | 0 | 108 | I266 S270 | I266-I268 HydrophobicContact CG2-CD1 4.32Å; I266-I268 HydrophobicContact CG2-CG1 3.81Å; I266-I268 PolarHBondContact O-N 3.1Å; I268-S270 PolarHBondContact O-N 3.39Å | ||
| 269 | R | 44.6 | Very low | 47 | Very low | 212 Ų | 212 | 132.2 Ų | 132.2 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -72.7 | 81.1 | 169.3 | -164.2 | -172.7 | -177 | 177.6 | 1.7 | 108 | N267 V271 | N267-R269 PolarHBondContact O-N 3.42Å; R269-V271 HydrophobicContact CG-CG2 3.92Å; R269-V271 PolarHBondContact O-N 2.91Å | ||
| 270 | S | 46.5 | Very low | 46.2 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -58.3 | 92.3 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | I268 | I268-S270 PolarHBondContact O-N 3.39Š| ||
| 271 | V | 43.2 | Very low | 45.6 | Very low | 103 Ų | 103 | 134 Ų | 134 | 62% | 0.624 | 76% | 0.757 | S | S | * | * | trans | -110.5 | 100.5 | 171.1 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | R269 I273 | R269-V271 HydrophobicContact CG-CG2 3.92Å; R269-V271 PolarHBondContact O-N 2.91Å; V271-I273 PolarHBondContact O-N 2.86Å | ||
| 272 | S | 37.1 | Very low | 45.6 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -63.2 | 120.3 | 168.9 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | S274 | S272-S274 VanDerWaalsContact C-N 3.27Å; S272-S274 PolarHBondContact O-N 2.88Å | ||
| 273 | I | 42.6 | Very low | 45.1 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -68.7 | 91.5 | 168.2 | -62 | 174.5 | 0 | 0 | 0 | 107.3 | V271 | V271-I273 PolarHBondContact O-N 2.86Š| ||
| 274 | S | 37.2 | Very low | 44.8 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -79.1 | 140.9 | 169.2 | -157.9 | 0 | 0 | 0 | 0 | 108.8 | S272 S276 | S272-S274 VanDerWaalsContact C-N 3.27Å; S272-S274 PolarHBondContact O-N 2.88Å; S274-S276 PolarHBondContact O-N 3.3Å | ||
| 275 | T | 48 | Very low | 44.4 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -77.3 | 117.3 | 179.3 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 276 | S | 40.9 | Very low | 44.3 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -130 | 126.5 | 163.6 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | S274 | S274-S276 PolarHBondContact O-N 3.3Š| ||
| 277 | D | 46.4 | Very low | 44.1 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -79.3 | 133.1 | 169.7 | 178.4 | 44.7 | 0 | 0 | 0 | 109.5 | ||||
| 278 | D | 41.9 | Very low | 44.3 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -158.8 | 153.4 | 155.5 | -160.8 | 9.2 | 0 | 0 | 0 | 110.1 | ||||
| 279 | G | 45.8 | Very low | 44.6 | Very low | 51 Ų | 51 | 133.1 Ų | 133.1 | 53% | 0.526 | 78% | 0.779 | S | S | . | * | trans | -116 | 147.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 280 | F | 37.1 | Very low | 44.7 | Very low | 204 Ų | 204 | 130.7 Ų | 130.7 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | 45.7 | 105.1 | 160.1 | -75.9 | -87.1 | 0 | 0 | 0 | 118.7 | ||||
| 281 | S | 42.7 | Very low | 44.6 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | -139.9 | 154.4 | 128.9 | -165.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 282 | R | 51 | Low | 44.7 | Very low | 225 Ų | 225 | 135.1 Ų | 135.1 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | -131.2 | 119.4 | 174 | -64.6 | 171 | 67.6 | -175.3 | 2.8 | 107.3 | ||||
| 283 | D | 38.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -156.2 | 179.5 | 146.6 | -161.6 | 31.8 | 0 | 0 | 0 | 111.8 | ||||
| 284 | S | 47.5 | Very low | 45.5 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -29.7 | 157.3 | 162 | 67 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 285 | G | 44.6 | Very low | 46.1 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | cis | 142.3 | 163.2 | 6.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 286 | D | 47.8 | Very low | 45.8 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | 63.8 | 112.4 | -176.9 | -165.6 | 21.1 | 0 | 0 | 0 | 116.9 | ||||
| 287 | S | 50 | Low | 46.2 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 176.6 | 70.4 | 152.5 | 25.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 288 | D | 51.8 | Low | 46.3 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | trans | -71.1 | 154.6 | 168 | -165 | 5.9 | 0 | 0 | 0 | 110.8 | ||||
| 289 | G | 50.9 | Low | 46.6 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 105.3 | 17.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 290 | L | 46.2 | Very low | 46.6 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -126.9 | 13.7 | 175.9 | -81.1 | 180 | 0 | 0 | 0 | 116.7 | ||||
| 291 | L | 44.7 | Very low | 47.4 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -89.1 | -25.2 | -175.8 | -163.6 | 66.5 | 0 | 0 | 0 | 115.2 | D293 E294 | L291-D293 PolarHBondContact O-N 3.37Å; L291-E294 WeakPolarHBondContact O-CB 3.39Å; L291-E294 PolarHBondContact O-N 3.03Å |
| 292 | E | 46.3 | Very low | 48.4 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -72.1 | -34.6 | -170.6 | -56.1 | -127.1 | 123.1 | 0 | 0 | 112.5 | E294 L295 H296 | E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 3.42Å; E292-L295 VanDerWaalsContact O-CB 3.22Å; E292-L295 WeakPolarHBondContact O-CB 3.08Å; E292-L295 PolarHBondContact O-N 2.82Å; E292-H296 PolarHBondContact O-CD2 2.78Å; E292-H296 PolarHBondContact O-N 3.3Å |
| 293 | D | 48.4 | Very low | 49.6 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 56% | 0.556 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.9 | -23.4 | -178.6 | -144.7 | 58.1 | 0 | 0 | 0 | 113.1 | L291 K297 | L291-D293 PolarHBondContact O-N 3.37Å; D293-K297 WeakPolarHBondContact O-CD 3.44Å; D293-K297 WeakPolarHBondContact O-CG 3.32Å; D293-K297 IonicContact OD2-NZ 3.61Å; D293-K297 PolarHBondContact OD2-NZ 3.04Å |
| 294 | E | 48.3 | Very low | 51.9 | Low | 125 Ų | 125 | 119.7 Ų | 119.7 | 58% | 0.584 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.3 | -35.5 | 168.7 | -176.4 | 78.7 | -138.2 | 0 | 0 | 110.9 | L291 E292 K298 | L291-E294 WeakPolarHBondContact O-CB 3.39Å; L291-E294 PolarHBondContact O-N 3.03Å; E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 3.42Å; E294-K298 PolarHBondContact O-N 2.95Å |
| 295 | L | 47.9 | Very low | 54.1 | Low | 105 Ų | 105 | 119.4 Ų | 119.4 | 55% | 0.55 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.8 | -42.9 | -176.4 | -154.7 | 160.8 | 0 | 0 | 0 | 111 | E292 K298 I299 | E292-L295 VanDerWaalsContact O-CB 3.22Å; E292-L295 WeakPolarHBondContact O-CB 3.08Å; E292-L295 PolarHBondContact O-N 2.82Å; L295-K298 VanDerWaalsContact O-CB 3.28Å; L295-K298 WeakPolarHBondContact O-CB 3.41Å; L295-K298 PolarHBondContact O-N 3.39Å; L295-K298 VanDerWaalsContact O-N 3.17Å; L295-I299 PolarHBondContact O-N 2.87Å |
| 296 | H | 43.1 | Very low | 56.4 | Low | 122 Ų | 122 | 122.8 Ų | 122.8 | 57% | 0.565 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70 | -37 | 178.3 | -74.8 | -84.6 | 0 | 0 | 0 | 113.4 | E292 K298 I299 | E292-H296 PolarHBondContact O-CD2 2.78Å; E292-H296 PolarHBondContact O-N 3.3Å; H296-K298 PolarHBondContact O-N 3.41Å; H296-I299 HydrophobicContact CB-CD1 4.49Å; H296-I299 WeakPolarHBondContact O-CB 3.47Å; H296-I299 PolarHBondContact O-N 3.47Å |
| 297 | K | 48.4 | Very low | 58.7 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.8 | -28.7 | 170.5 | -73.3 | 164.2 | -177.9 | 134.5 | 0 | 112.2 | D293 | D293-K297 WeakPolarHBondContact O-CD 3.44Å; D293-K297 WeakPolarHBondContact O-CG 3.32Å; D293-K297 IonicContact OD2-NZ 3.61Å; D293-K297 PolarHBondContact OD2-NZ 3.04Å |
| 298 | K | 49.9 | Very low | 60.9 | Low | 126 Ų | 126 | 118.3 Ų | 118.3 | 55% | 0.548 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.3 | -19.5 | 178.9 | -148.8 | 168.2 | -170.4 | 165.3 | 0 | 114.6 | E294 L295 H296 W300 Q301 | E294-K298 PolarHBondContact O-N 2.95Å; L295-K298 VanDerWaalsContact O-CB 3.28Å; L295-K298 WeakPolarHBondContact O-CB 3.41Å; L295-K298 PolarHBondContact O-N 3.39Å; L295-K298 VanDerWaalsContact O-N 3.17Å; H296-K298 PolarHBondContact O-N 3.41Å; K298-W300 PolarHBondContact O-N 2.89Å; K298-Q301 HydrophobicContact CG-CG 4.35Å; K298-Q301 PolarHBondContact O-N 2.97Å |
| 299 | I | 47.3 | Very low | 63 | Low | 105 Ų | 105 | 114.4 Ų | 114.4 | 54% | 0.538 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -27.4 | 178.3 | -63.4 | 173.6 | 0 | 0 | 0 | 111.6 | L295 H296 | L295-I299 PolarHBondContact O-N 2.87Å; H296-I299 HydrophobicContact CB-CD1 4.49Å; H296-I299 WeakPolarHBondContact O-CB 3.47Å; H296-I299 PolarHBondContact O-N 3.47Å |
| 300 | W | 45.6 | Very low | 65.2 | Low | 232 Ų | 232 | 114.1 Ų | 114.1 | 88% | 0.879 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 15.1 | -177.1 | -71 | 62.4 | 0 | 0 | 0 | 113.8 | K298 G302 | K298-W300 PolarHBondContact O-N 2.89Å; W300-G302 PolarHBondContact O-N 2.97Å |
| 301 | Q | 54.3 | Low | 67.6 | Low | 137 Ų | 137 | 113.7 Ų | 113.7 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -65.1 | 104.6 | 161.5 | -68.3 | -169.6 | -15.9 | 0 | 0 | 108.6 | K298 T303 | K298-Q301 HydrophobicContact CG-CG 4.35Å; K298-Q301 PolarHBondContact O-N 2.97Å; Q301-T303 PolarHBondContact O-N 3.33Å; Q301-T303 VanDerWaalsContact O-N 3.1Å |
| 302 | G | 63.1 | Low | 70.1 | Confident | 73 Ų | 73 | 110.7 Ų | 110.7 | 75% | 0.753 | 55% | 0.554 | S | S | * | * | trans | -47.7 | 115.4 | -168 | 0 | 0 | 0 | 0 | 0 | 113.5 | W300 S304 | W300-G302 PolarHBondContact O-N 2.97Å; G302-S304 PolarHBondContact O-N 3.4Å | ||
| 303 | T | 77.3 | Confident | 72.5 | Confident | 53 Ų | 53 | 107.8 Ų | 107.8 | 33% | 0.325 | 54% | 0.542 | S | S | . | . | trans | -38.1 | 123.4 | -167.1 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | Q301 E307 R308 | Q301-T303 PolarHBondContact O-N 3.33Å; Q301-T303 VanDerWaalsContact O-N 3.1Å; T303-E307 WeakPolarHBondContact CA-OE2 3.46Å; T303-E307 WeakPolarHBondContact CB-OE2 3.43Å; T303-E307 WeakPolarHBondContact CG2-OE2 3.28Å; T303-R308 PolarHBondContact O-NH2 3.06Å; T303-R308 PolarHBondContact OG1-NH2 3.15Å | ||
| 304 | S | 87.3 | Confident | 74.8 | Confident | 62 Ų | 62 | 110.9 Ų | 110.9 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | trans | -61.3 | 149.5 | -175.8 | 175 | 0 | 0 | 0 | 0 | 110.9 | G302 I306 E307 R308 | G302-S304 PolarHBondContact O-N 3.4Å; S304-I306 PolarHBondContact O-N 3.46Å; S304-I306 PolarHBondContact OG-N 2.94Å; S304-E307 PolarHBondContact N-OE2 2.93Å; S304-E307 WeakPolarHBondContact O-CB 3.38Å; S304-E307 PolarHBondContact O-N 2.83Å; S304-R308 WeakPolarHBondContact O-CB 3.42Å; S304-R308 PolarHBondContact O-N 2.64Å | ||
| 305 | V | 92.5 | Very high | 77.1 | Confident | 93 Ų | 93 | 112.9 Ų | 112.9 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -55.3 | -36.9 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | N309 | V305-N309 WeakPolarHBondContact O-CB 3.49Å; V305-N309 PolarHBondContact O-N 3.17Å; V305-N309 PolarHBondContact O-ND2 3.16Å; V305-N309 PolarHBondContact O-OD1 3.17Å |
| 306 | I | 93.4 | Very high | 79.4 | Confident | 138 Ų | 138 | 112.3 Ų | 112.3 | 71% | 0.708 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 176.8 | -58.9 | 169.9 | 0 | 0 | 0 | 110.7 | S304 A310 | S304-I306 PolarHBondContact O-N 3.46Å; S304-I306 PolarHBondContact OG-N 2.94Å; I306-A310 WeakPolarHBondContact O-CB 3.47Å; I306-A310 PolarHBondContact O-N 3.49Å |
| 307 | E | 96.3 | Very high | 81.9 | Confident | 72 Ų | 72 | 114.6 Ų | 114.6 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.8 | -43.2 | 179.9 | -165.7 | -151.5 | 155.8 | 0 | 0 | 111.7 | T303 S304 N309 A310 R311 | T303-E307 WeakPolarHBondContact CA-OE2 3.46Å; T303-E307 WeakPolarHBondContact CB-OE2 3.43Å; T303-E307 WeakPolarHBondContact CG2-OE2 3.28Å; S304-E307 PolarHBondContact N-OE2 2.93Å; S304-E307 WeakPolarHBondContact O-CB 3.38Å; S304-E307 PolarHBondContact O-N 2.83Å; E307-N309 VanDerWaalsContact C-N 3.32Å; E307-N309 PolarHBondContact O-N 3.11Å; E307-A310 WeakPolarHBondContact O-CB 3.49Å; E307-A310 PolarHBondContact O-N 3.24Å; E307-A310 VanDerWaalsContact O-N 3.16Å; E307-R311 WeakPolarHBondContact O-CG 3.41Å; E307-R311 PolarHBondContact O-N 3.17Å; E307-R311 IonicContact OE1-CZ 3.35Å; E307-R311 IonicContact OE1-NE 2.65Å; E307-R311 PolarHBondContact OE1-NE 3.42Å; E307-R311 IonicContact OE1-NH2 3.19Å; E307-R311 PolarHBondContact OE1-NH2 3.23Å |
| 308 | R | 95.9 | Very high | 84 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.2 | -45.7 | 173.3 | -172.6 | 177.2 | -60.6 | 99.8 | 16.4 | 110.8 | T303 S304 A310 R311 I312 | T303-R308 PolarHBondContact O-NH2 3.06Å; T303-R308 PolarHBondContact OG1-NH2 3.15Å; S304-R308 WeakPolarHBondContact O-CB 3.42Å; S304-R308 PolarHBondContact O-N 2.64Å; R308-A310 PolarHBondContact O-N 3.29Å; R308-R311 PolarHBondContact O-N 3.35Å; R308-I312 HydrophobicContact CG-CD1 4.05Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.42Å; R308-I312 PolarHBondContact O-N 2.83Å |
| 309 | N | 96 | Very high | 86 | Confident | 85 Ų | 85 | 108 Ų | 108 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.9 | -69.5 | -4.5 | 0 | 0 | 0 | 111.6 | V305 E307 I312 I313 | V305-N309 WeakPolarHBondContact O-CB 3.49Å; V305-N309 PolarHBondContact O-N 3.17Å; V305-N309 PolarHBondContact O-ND2 3.16Å; V305-N309 PolarHBondContact O-OD1 3.17Å; E307-N309 VanDerWaalsContact C-N 3.32Å; E307-N309 PolarHBondContact O-N 3.11Å; N309-I312 PolarHBondContact O-N 3.04Å; N309-I313 WeakPolarHBondContact O-CB 3.44Å; N309-I313 WeakPolarHBondContact O-CD1 3.27Å; N309-I313 VanDerWaalsContact O-CG1 3.24Å; N309-I313 WeakPolarHBondContact O-CG1 2.92Å; N309-I313 PolarHBondContact O-N 2.75Å |
| 310 | A | 97.4 | Very high | 88 | Confident | 56 Ų | 56 | 108.8 Ų | 108.8 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I306 E307 R308 I313 K314 | I306-A310 WeakPolarHBondContact O-CB 3.47Å; I306-A310 PolarHBondContact O-N 3.49Å; E307-A310 WeakPolarHBondContact O-CB 3.49Å; E307-A310 PolarHBondContact O-N 3.24Å; E307-A310 VanDerWaalsContact O-N 3.16Å; R308-A310 PolarHBondContact O-N 3.29Å; A310-I313 PolarHBondContact O-N 3.42Å; A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.1Å |
| 311 | R | 96.8 | Very high | 89.9 | Confident | 152 Ų | 152 | 103.2 Ų | 103.2 | 57% | 0.574 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | 173.5 | -70.5 | 178.3 | -176 | -140.6 | 7.5 | 111.2 | E307 R308 K314 W315 | E307-R311 WeakPolarHBondContact O-CG 3.41Å; E307-R311 PolarHBondContact O-N 3.17Å; E307-R311 IonicContact OE1-CZ 3.35Å; E307-R311 IonicContact OE1-NE 2.65Å; E307-R311 PolarHBondContact OE1-NE 3.42Å; E307-R311 IonicContact OE1-NH2 3.19Å; E307-R311 PolarHBondContact OE1-NH2 3.23Å; R308-R311 PolarHBondContact O-N 3.35Å; R311-K314 PolarHBondContact O-N 3.22Å; R311-W315 WeakPolarHBondContact O-CB 3.39Å; R311-W315 PolarHBondContact O-N 3.41Å |
| 312 | I | 96.4 | Very high | 91.2 | Very high | 80 Ų | 80 | 99.8 Ų | 99.8 | 41% | 0.41 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 176.2 | -69.2 | 163.4 | 0 | 0 | 0 | 111.1 | R308 N309 K314 W315 L316 | R308-I312 HydrophobicContact CG-CD1 4.05Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.42Å; R308-I312 PolarHBondContact O-N 2.83Å; N309-I312 PolarHBondContact O-N 3.04Å; I312-K314 PolarHBondContact O-N 3.22Å; I312-W315 PolarHBondContact O-N 2.95Å; I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 HydrophobicContact CG2-CG 4.33Å; I312-L316 WeakPolarHBondContact O-CB 3.49Å; I312-L316 WeakPolarHBondContact O-CG 3.24Å; I312-L316 PolarHBondContact O-N 3.43Å |
| 313 | I | 96.1 | Very high | 91.9 | Very high | 96 Ų | 96 | 98.9 Ų | 98.9 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 178 | -68.8 | 163.3 | 0 | 0 | 0 | 110.5 | N309 A310 W315 L316 Y317 | N309-I313 WeakPolarHBondContact O-CB 3.44Å; N309-I313 WeakPolarHBondContact O-CD1 3.27Å; N309-I313 VanDerWaalsContact O-CG1 3.24Å; N309-I313 WeakPolarHBondContact O-CG1 2.92Å; N309-I313 PolarHBondContact O-N 2.75Å; A310-I313 PolarHBondContact O-N 3.42Å; I313-W315 VanDerWaalsContact C-N 3.31Å; I313-W315 PolarHBondContact O-N 3.41Å; I313-L316 PolarHBondContact O-N 3.35Å; I313-Y317 HydrophobicContact CG2-CD2 3.9Å; I313-Y317 HydrophobicContact CG2-CE2 4.11Å; I313-Y317 WeakPolarHBondContact O-CD2 3.28Å; I313-Y317 PolarHBondContact O-N 2.91Å |
| 314 | K | 96.5 | Very high | 91.9 | Very high | 170 Ų | 170 | 99.1 Ų | 99.1 | 74% | 0.739 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -41.3 | 177.4 | -173.4 | 178.3 | 179.3 | -177.2 | 0 | 111.8 | A310 R311 I312 S318 | A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.1Å; R311-K314 PolarHBondContact O-N 3.22Å; I312-K314 PolarHBondContact O-N 3.22Å; K314-S318 WeakPolarHBondContact O-CB 3.19Å; K314-S318 PolarHBondContact O-N 2.94Å |
| 315 | W | 97.3 | Very high | 91.2 | Very high | 167 Ų | 167 | 98.5 Ų | 98.5 | 63% | 0.633 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.7 | -46.7 | 176.6 | 178.9 | 73.5 | 0 | 0 | 0 | 112.3 | R311 I312 I313 Y317 S318 C319 | R311-W315 WeakPolarHBondContact O-CB 3.39Å; R311-W315 PolarHBondContact O-N 3.41Å; I312-W315 PolarHBondContact O-N 2.95Å; I313-W315 VanDerWaalsContact C-N 3.31Å; I313-W315 PolarHBondContact O-N 3.41Å; W315-Y317 VanDerWaalsContact C-N 3.35Å; W315-Y317 PolarHBondContact O-N 2.87Å; W315-S318 WeakPolarHBondContact O-CB 3.42Å; W315-S318 PolarHBondContact O-N 2.91Å; W315-S318 VanDerWaalsContact O-N 3.1Å; W315-C319 VanDerWaalsContact CE2-SG 3.51Å; W315-C319 PolarHBondContact O-N 3.44Å; W315-C319 PolarHBondContact O-SG 3.49Å |
| 316 | L | 96.7 | Very high | 89.7 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.4 | -72.4 | 171.9 | 0 | 0 | 0 | 112.2 | I312 I313 C319 K320 | I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 HydrophobicContact CG2-CG 4.33Å; I312-L316 WeakPolarHBondContact O-CB 3.49Å; I312-L316 WeakPolarHBondContact O-CG 3.24Å; I312-L316 PolarHBondContact O-N 3.43Å; I313-L316 PolarHBondContact O-N 3.35Å; L316-C319 PolarHBondContact O-N 3.49Å; L316-K320 WeakPolarHBondContact O-CB 3.39Å; L316-K320 PolarHBondContact O-N 3.04Å |
| 317 | Y | 95.7 | Very high | 88.1 | Confident | 170 Ų | 170 | 93.9 Ų | 93.9 | 67% | 0.667 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.2 | -36.7 | 173.6 | -91.6 | -87.6 | 0 | 0 | 0 | 112.4 | I313 W315 K320 N321 | I313-Y317 HydrophobicContact CG2-CD2 3.9Å; I313-Y317 HydrophobicContact CG2-CE2 4.11Å; I313-Y317 WeakPolarHBondContact O-CD2 3.28Å; I313-Y317 PolarHBondContact O-N 2.91Å; W315-Y317 VanDerWaalsContact C-N 3.35Å; W315-Y317 PolarHBondContact O-N 2.87Å; Y317-K320 PolarHBondContact O-N 3.39Å; Y317-N321 VanDerWaalsContact O-CB 3.28Å; Y317-N321 WeakPolarHBondContact O-CB 3.16Å; Y317-N321 PolarHBondContact O-N 3.48Å |
| 318 | S | 93.3 | Very high | 86.3 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 53% | 0.531 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.1 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | K314 W315 N321 A322 | K314-S318 WeakPolarHBondContact O-CB 3.19Å; K314-S318 PolarHBondContact O-N 2.94Å; W315-S318 WeakPolarHBondContact O-CB 3.42Å; W315-S318 PolarHBondContact O-N 2.91Å; W315-S318 VanDerWaalsContact O-N 3.1Å; S318-N321 PolarHBondContact O-N 2.89Å; S318-A322 WeakPolarHBondContact O-CB 3.39Å; S318-A322 PolarHBondContact O-N 3.04Å |
| 319 | C | 90.9 | Very high | 84.3 | Confident | 53 Ų | 53 | 95.3 Ų | 95.3 | 36% | 0.358 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | W315 L316 A322 S323 | W315-C319 VanDerWaalsContact CE2-SG 3.51Å; W315-C319 PolarHBondContact O-N 3.44Å; W315-C319 PolarHBondContact O-SG 3.49Å; L316-C319 PolarHBondContact O-N 3.49Å; C319-A322 PolarHBondContact O-N 3.4Å; C319-S323 PolarHBondContact O-N 3.06Å |
| 320 | K | 89.4 | Confident | 82.5 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 53% | 0.53 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 173.6 | 179.1 | 172.8 | 176.3 | 179 | 0 | 110.9 | L316 Y317 A322 S323 D324 | L316-K320 WeakPolarHBondContact O-CB 3.39Å; L316-K320 PolarHBondContact O-N 3.04Å; Y317-K320 PolarHBondContact O-N 3.39Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 2.79Å; K320-S323 CarbonylContact O-C 3.55Å; K320-S323 WeakPolarHBondContact O-CA 3.41Å; K320-S323 WeakPolarHBondContact O-CB 3.22Å; K320-S323 PolarHBondContact O-N 2.86Å; K320-S323 PolarHBondContact O-OG 3.23Å; K320-D324 WeakPolarHBondContact CE-OD2 3.45Å; K320-D324 VanDerWaalsContact CG-OD2 3.27Å; K320-D324 WeakPolarHBondContact CG-OD2 3.46Å; K320-D324 PolarHBondContact O-N 3.08Å |
| 321 | N | 86.1 | Confident | 80.4 | Confident | 115 Ų | 115 | 103.7 Ų | 103.7 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.4 | -41.5 | 179.5 | -171.1 | 91.9 | 0 | 0 | 0 | 112.2 | Y317 S318 D324 A325 | Y317-N321 VanDerWaalsContact O-CB 3.28Å; Y317-N321 WeakPolarHBondContact O-CB 3.16Å; Y317-N321 PolarHBondContact O-N 3.48Å; S318-N321 PolarHBondContact O-N 2.89Å; N321-D324 PolarHBondContact O-N 3.39Å; N321-A325 VanDerWaalsContact O-CB 3.24Å; N321-A325 WeakPolarHBondContact O-CB 3.49Å; N321-A325 PolarHBondContact O-N 2.86Å |
| 322 | A | 80.9 | Confident | 78.6 | Confident | 64 Ų | 64 | 103.4 Ų | 103.4 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S318 C319 K320 G326 | S318-A322 WeakPolarHBondContact O-CB 3.39Å; S318-A322 PolarHBondContact O-N 3.04Å; C319-A322 PolarHBondContact O-N 3.4Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 2.79Å; A322-G326 PolarHBondContact O-N 3.26Å |
| 323 | S | 77.8 | Confident | 76 | Confident | 54 Ų | 54 | 109.4 Ų | 109.4 | 38% | 0.378 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67 | -34.2 | 176.3 | 86.6 | 0 | 0 | 0 | 0 | 113.3 | C319 K320 K327 | C319-S323 PolarHBondContact O-N 3.06Å; K320-S323 CarbonylContact O-C 3.55Å; K320-S323 WeakPolarHBondContact O-CA 3.41Å; K320-S323 WeakPolarHBondContact O-CB 3.22Å; K320-S323 PolarHBondContact O-N 2.86Å; K320-S323 PolarHBondContact O-OG 3.23Å; S323-K327 WeakPolarHBondContact O-CD 3.48Å; S323-K327 WeakPolarHBondContact O-CE 3.5Å; S323-K327 WeakPolarHBondContact O-CG 3.36Å; S323-K327 PolarHBondContact O-N 3.43Å; S323-K327 PolarHBondContact OG-NZ 2.94Å |
| 324 | D | 76.6 | Confident | 75 | Confident | 58 Ų | 58 | 110.1 Ų | 110.1 | 31% | 0.31 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -80.2 | -40.6 | -178.7 | -69.2 | -20 | 0 | 0 | 0 | 110.9 | K320 N321 G326 K327 T328 | K320-D324 WeakPolarHBondContact CE-OD2 3.45Å; K320-D324 VanDerWaalsContact CG-OD2 3.27Å; K320-D324 WeakPolarHBondContact CG-OD2 3.46Å; K320-D324 PolarHBondContact O-N 3.08Å; N321-D324 PolarHBondContact O-N 3.39Å; D324-G326 VanDerWaalsContact C-N 3.29Å; D324-G326 PolarHBondContact O-N 2.96Å; D324-K327 WeakPolarHBondContact O-CB 3.48Å; D324-K327 PolarHBondContact O-N 2.8Å; D324-K327 IonicContact OD1-NZ 3.8Å; D324-K327 PolarHBondContact OD1-NZ 3.47Å; D324-T328 PolarHBondContact O-N 3.02Å; D324-T328 VanDerWaalsContact O-N 3.1Å; D324-T328 PolarHBondContact O-OG1 3.44Å |
| 325 | A | 73 | Confident | 73.9 | Confident | 50 Ų | 50 | 106.9 Ų | 106.9 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.4 | -38.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N321 K327 T328 L329 | N321-A325 VanDerWaalsContact O-CB 3.24Å; N321-A325 WeakPolarHBondContact O-CB 3.49Å; N321-A325 PolarHBondContact O-N 2.86Å; A325-K327 PolarHBondContact O-N 3.46Å; A325-T328 WeakPolarHBondContact CA-OG1 3.33Å; A325-T328 PolarHBondContact O-N 3.02Å; A325-T328 PolarHBondContact O-OG1 3.43Å; A325-L329 PolarHBondContact O-N 3.36Å |
| 326 | G | 60.8 | Low | 72.6 | Confident | 36 Ų | 36 | 103.6 Ų | 103.6 | 37% | 0.371 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.8 | -7.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A322 D324 | A322-G326 PolarHBondContact O-N 3.26Å; D324-G326 VanDerWaalsContact C-N 3.29Å; D324-G326 PolarHBondContact O-N 2.96Å |
| 327 | K | 59.9 | Low | 71.2 | Confident | 97 Ų | 97 | 104.2 Ų | 104.2 | 42% | 0.422 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -92.3 | -48.9 | 168.5 | -65.8 | 156.9 | -156.4 | 153.8 | 0 | 110 | S323 D324 A325 L329 R330 D331 | S323-K327 WeakPolarHBondContact O-CD 3.48Å; S323-K327 WeakPolarHBondContact O-CE 3.5Å; S323-K327 WeakPolarHBondContact O-CG 3.36Å; S323-K327 PolarHBondContact O-N 3.43Å; S323-K327 PolarHBondContact OG-NZ 2.94Å; D324-K327 WeakPolarHBondContact O-CB 3.48Å; D324-K327 PolarHBondContact O-N 2.8Å; D324-K327 IonicContact OD1-NZ 3.8Å; D324-K327 PolarHBondContact OD1-NZ 3.47Å; A325-K327 PolarHBondContact O-N 3.46Å; K327-L329 PolarHBondContact O-N 3.5Å; K327-R330 WeakPolarHBondContact O-CA 3.41Å; K327-R330 PolarHBondContact O-N 3.24Å; K327-D331 PolarHBondContact O-N 3.45Å |
| 328 | T | 58.5 | Low | 69.6 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 54% | 0.54 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.8 | -18.9 | 179.5 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | D324 A325 L332 | D324-T328 PolarHBondContact O-N 3.02Å; D324-T328 VanDerWaalsContact O-N 3.1Å; D324-T328 PolarHBondContact O-OG1 3.44Å; A325-T328 WeakPolarHBondContact CA-OG1 3.33Å; A325-T328 PolarHBondContact O-N 3.02Å; A325-T328 PolarHBondContact O-OG1 3.43Å; T328-L332 WeakPolarHBondContact O-CD1 3.17Å |
| 329 | L | 54.3 | Low | 68 | Low | 121 Ų | 121 | 101.7 Ų | 101.7 | 63% | 0.634 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -26.7 | 171.7 | -168.5 | 145.3 | 0 | 0 | 0 | 112.8 | A325 K327 | A325-L329 PolarHBondContact O-N 3.36Å; K327-L329 PolarHBondContact O-N 3.5Å |
| 330 | R | 57.1 | Low | 66.4 | Low | 186 Ų | 186 | 105.2 Ų | 105.2 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -3.1 | 178.1 | -62.2 | -152.1 | -51.5 | -108.1 | 1.9 | 114.7 | K327 | K327-R330 WeakPolarHBondContact O-CA 3.41Å; K327-R330 PolarHBondContact O-N 3.24Å |
| 331 | D | 55.2 | Low | 64.6 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -93.4 | 20.3 | 169.5 | -59.5 | -37 | 0 | 0 | 0 | 111.1 | K327 | K327-D331 PolarHBondContact O-N 3.45Š|
| 332 | L | 57.7 | Low | 62.8 | Low | 146 Ų | 146 | 103 Ų | 103 | 76% | 0.764 | 57% | 0.572 | S | S | * | * | trans | -135.7 | 3.9 | -175.4 | -71.7 | 176.7 | 0 | 0 | 0 | 114.5 | T328 | T328-L332 WeakPolarHBondContact O-CD1 3.17Š| ||
| 333 | D | 42.4 | Very low | 61.2 | Low | 205 Ų | 205 | 106.5 Ų | 106.5 | 100% | 1.096 | 58% | 0.575 | S | S | * | * | trans | -108.9 | 0 | 171.3 | -73.6 | -43.6 | 0 | 0 | 0 | 109.9 |
Retrieved 333 of 333 residues in 74.3 ms
(Link to these results)