| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 43.7 | Very low | 236 Ų | 236 | 165.4 Ų | 165.4 | 100% | 1.163 | 85% | 0.852 | S | S | * | * | 0 | 89.9 | 0 | -75.5 | 169.4 | 176.3 | 0 | 0 | 107.2 | V3 | M1-V3 PolarHBondContact O-N 3.01Š| |||
| 2 | T | 38.5 | Very low | 43.7 | Very low | 147 Ų | 147 | 163.4 Ų | 163.4 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | trans | -84.8 | 97.8 | 174.4 | 38.2 | 0 | 0 | 0 | 0 | 107.1 | S4 | T2-S4 PolarHBondContact O-N 3.41Š| ||
| 3 | V | 41.2 | Very low | 44.6 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | trans | -81.5 | 103.4 | 173.9 | -161.5 | 0 | 0 | 0 | 0 | 106.1 | M1 | M1-V3 PolarHBondContact O-N 3.01Š| ||
| 4 | S | 33.4 | Very low | 46.4 | Very low | 83 Ų | 83 | 159.4 Ų | 159.4 | 58% | 0.58 | 83% | 0.83 | S | S | * | * | trans | -67.9 | 131.9 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | T2 T6 | T2-S4 PolarHBondContact O-N 3.41Å; S4-T6 PolarHBondContact O-N 3.38Å; S4-T6 PolarHBondContact OG-OG1 3.28Å | ||
| 5 | W | 55.1 | Low | 48.4 | Very low | 259 Ų | 259 | 153.7 Ų | 153.7 | 98% | 0.981 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 32.6 | -179.6 | -92.8 | 61.9 | 0 | 0 | 0 | 114.4 | ||
| 6 | T | 51.7 | Low | 50.3 | Low | 107 Ų | 107 | 147.3 Ų | 147.3 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 11.8 | -164.9 | -12.1 | 0 | 0 | 0 | 0 | 114.3 | S4 | S4-T6 PolarHBondContact O-N 3.38Å; S4-T6 PolarHBondContact OG-OG1 3.28Å |
| 7 | D | 44.6 | Very low | 52.2 | Low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -123.3 | 23.5 | -171.3 | -120 | -8.6 | 0 | 0 | 0 | 114.9 | ||||
| 8 | E | 45.8 | Very low | 54 | Low | 196 Ų | 196 | 143.6 Ų | 143.6 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -113.4 | 46.2 | 171 | -79.5 | -176.1 | 165 | 0 | 0 | 112.2 | ||||
| 9 | L | 43.1 | Very low | 55.7 | Low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -96.3 | 75.9 | 163.9 | -76.5 | 175.1 | 0 | 0 | 0 | 109.9 | ||||
| 10 | N | 42.6 | Very low | 57.2 | Low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | 165.4 | 104.9 | 149.9 | -97.3 | -20.7 | 0 | 0 | 0 | 108.6 | ||||
| 11 | E | 42.5 | Very low | 58.7 | Low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 175 | 124 | 141.3 | -93.5 | 154.1 | -175.9 | 0 | 0 | 107 | ||
| 12 | D | 44.1 | Very low | 60.9 | Low | 142 Ų | 142 | 132.7 Ų | 132.7 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | trans | 74.7 | 71.2 | 174.2 | -51.3 | -30.9 | 0 | 0 | 0 | 117.9 | E14 | D12-E14 HydrophobicContact CB-CG 4.4Å; D12-E14 PolarHBondContact O-N 3.2Å | ||
| 13 | S | 55.9 | Low | 63.1 | Low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | trans | -68.1 | 66.7 | 159.5 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | L15 | S13-L15 PolarHBondContact O-N 3.35Š| ||
| 14 | E | 69.8 | Low | 65.1 | Low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | trans | -69.5 | 114.2 | 172.2 | -72 | -171.3 | 163.2 | 0 | 0 | 109.6 | D12 | D12-E14 HydrophobicContact CB-CG 4.4Å; D12-E14 PolarHBondContact O-N 3.2Å | ||
| 15 | L | 76.6 | Confident | 67.5 | Low | 74 Ų | 74 | 133 Ų | 133 | 39% | 0.387 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 140.3 | 172.7 | -73.2 | 167.4 | 0 | 0 | 0 | 110 | S13 Y36 L42 | S13-L15 PolarHBondContact O-N 3.35Å; L15-Y36 HydrophobicContact CD1-CD2 4.31Å; L15-Y36 HydrophobicContact CD1-CE2 4.47Å; L15-Y36 HydrophobicContact CD2-CD2 3.62Å; L15-Y36 HydrophobicContact CD2-CE2 3.35Å; L15-Y36 HydrophobicContact CD2-CG 4.4Å; L15-Y36 HydrophobicContact CG-CD2 4.05Å; L15-Y36 HydrophobicContact CG-CE2 3.74Å; L15-L42 HydrophobicContact CD2-CD1 3.36Å |
| 16 | P | 77.8 | Confident | 68.7 | Low | 52 Ų | 52 | 129.3 Ų | 129.3 | 34% | 0.338 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -56 | 143.8 | 175 | -15.4 | 21.1 | 0 | 0 | 0 | 111.3 | Y34 | P16-Y34 HydrophobicContact CB-CD2 3.58Å; P16-Y34 HydrophobicContact CB-CE2 3.87Å; P16-Y34 HydrophobicContact CB-CG 4.2Å; P16-Y34 HydrophobicContact CG-CD1 4.23Å; P16-Y34 HydrophobicContact CG-CD2 3.64Å; P16-Y34 HydrophobicContact CG-CE2 4.06Å; P16-Y34 HydrophobicContact CG-CG 3.73Å |
| 17 | P | 82.4 | Confident | 70.2 | Confident | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 152.4 | 178 | 26.2 | -34.4 | 0 | 0 | 0 | 111.4 | E19 | P17-E19 PolarHBondContact O-N 3.48Š|
| 18 | I | 85.4 | Confident | 72.2 | Confident | 117 Ų | 117 | 121.6 Ų | 121.6 | 60% | 0.6 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 119.7 | 178.3 | -61.7 | 170.8 | 0 | 0 | 0 | 109.1 | E20 V31 R33 | I18-E20 HydrophobicContact CG2-CG 4.43Å; I18-V31 HydrophobicContact CG2-CG1 3.71Å; I18-R33 HydrophobicContact CG1-CB 4.44Å |
| 19 | E | 85.8 | Confident | 74.3 | Confident | 79 Ų | 79 | 115.6 Ų | 115.6 | 37% | 0.369 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.6 | 174.8 | -69.1 | -178.8 | -155.4 | 0 | 0 | 110.3 | P17 K21 V31 V32 | P17-E19 PolarHBondContact O-N 3.48Å; E19-K21 VanDerWaalsContact OE2-CE 3.32Å; E19-K21 WeakPolarHBondContact OE2-CE 3.39Å; E19-K21 IonicContact OE2-NZ 3.18Å; E19-K21 PolarHBondContact OE2-NZ 3.26Å; E19-V31 WeakPolarHBondContact O-CA 3.03Å; E19-V32 HydrophobicContact CB-CB 4.28Å; E19-V32 PolarHBondContact N-O 3.06Å; E19-V32 VanDerWaalsContact N-O 3.09Å; E19-V32 PolarHBondContact O-N 3.5Å |
| 20 | E | 86.8 | Confident | 76.4 | Confident | 121 Ų | 121 | 108.8 Ų | 108.8 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.4 | 172.1 | -56.3 | -164.9 | 144.3 | 0 | 0 | 110.2 | I18 K29 V31 | I18-E20 HydrophobicContact CG2-CG 4.43Å; E20-K29 WeakPolarHBondContact OE1-CE 3.48Å; E20-K29 IonicContact OE1-NZ 2.78Å; E20-K29 PolarHBondContact OE1-NZ 3.06Å; E20-K29 WeakPolarHBondContact OE2-CE 3.44Å; E20-K29 IonicContact OE2-NZ 3.38Å; E20-K29 PolarHBondContact OE2-NZ 3.11Å; E20-V31 HydrophobicContact CG-CG1 4.46Å; E20-V31 HydrophobicContact CG-CG2 4.3Å |
| 21 | K | 88 | Confident | 78.6 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.8 | 175.4 | -67.4 | 173.9 | -173.5 | 156.9 | 0 | 109.2 | E19 K29 T30 | E19-K21 VanDerWaalsContact OE2-CE 3.32Å; E19-K21 WeakPolarHBondContact OE2-CE 3.39Å; E19-K21 IonicContact OE2-NZ 3.18Å; E19-K21 PolarHBondContact OE2-NZ 3.26Å; K21-K29 CarbonylContact O-C 3.48Å; K21-T30 PolarHBondContact N-O 3.45Å; K21-T30 PolarHBondContact O-N 3.08Å |
| 22 | F | 87.5 | Confident | 80.8 | Confident | 122 Ų | 122 | 94.1 Ų | 94.1 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.8 | 177.7 | -179.9 | -105.4 | 0 | 0 | 0 | 109.3 | P24 K29 | F22-P24 HydrophobicContact CE1-CB 4.2Å; F22-P24 VanDerWaalsContact O-CD 3.28Å; F22-P24 WeakPolarHBondContact O-CD 3.49Å; F22-K29 HydrophobicContact CD2-CB 4.18Å |
| 23 | D | 85.5 | Confident | 82.9 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 105.9 | 178.1 | -67.2 | -33.9 | 0 | 0 | 0 | 109.1 | E25 R26 N27 I28 | D23-E25 VanDerWaalsContact C-N 3.28Å; D23-E25 PolarHBondContact O-N 3.34Å; D23-R26 PolarHBondContact O-N 3.5Å; D23-N27 PolarHBondContact O-N 3.37Å; D23-I28 PolarHBondContact N-O 3.09Å; D23-I28 PolarHBondContact O-N 2.99Å |
| 24 | P | 82.4 | Confident | 84.4 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 66% | 0.656 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -28.1 | -174.5 | 25.5 | -33.5 | 0 | 0 | 0 | 112.9 | F22 | F22-P24 HydrophobicContact CE1-CB 4.2Å; F22-P24 VanDerWaalsContact O-CD 3.28Å; F22-P24 WeakPolarHBondContact O-CD 3.49Å |
| 25 | E | 83.3 | Confident | 85.1 | Confident | 187 Ų | 187 | 85.2 Ų | 85.2 | 87% | 0.874 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -39.5 | -178.7 | -63.6 | -172.5 | 165.3 | 0 | 0 | 112.9 | D23 | D23-E25 VanDerWaalsContact C-N 3.28Å; D23-E25 PolarHBondContact O-N 3.34Å |
| 26 | R | 80.4 | Confident | 85.5 | Confident | 182 Ų | 182 | 86.6 Ų | 86.6 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -9.9 | -178.7 | -61.8 | -176.4 | 179.1 | -179.6 | 0.1 | 112.8 | D23 I28 | D23-R26 PolarHBondContact O-N 3.5Å; R26-I28 HydrophobicContact CB-CB 4.34Å; R26-I28 HydrophobicContact CB-CD1 3.7Å; R26-I28 HydrophobicContact CB-CG1 3.86Å; R26-I28 PolarHBondContact O-N 3.35Å |
| 27 | N | 82.8 | Confident | 85.8 | Confident | 77 Ų | 77 | 87.2 Ų | 87.2 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 40.5 | -171.7 | -169.5 | 36.1 | 0 | 0 | 0 | 111.9 | D23 K51 | D23-N27 PolarHBondContact O-N 3.37Å; N27-K51 PolarHBondContact ND2-O 2.92Å |
| 28 | I | 87.5 | Confident | 86 | Confident | 28 Ų | 28 | 91.6 Ų | 91.6 | 14% | 0.144 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.8 | -179.2 | -62.9 | 173.3 | 0 | 0 | 0 | 108.4 | D23 R26 E48 Y49 Q50 | D23-I28 PolarHBondContact N-O 3.09Å; D23-I28 PolarHBondContact O-N 2.99Å; R26-I28 HydrophobicContact CB-CB 4.34Å; R26-I28 HydrophobicContact CB-CD1 3.7Å; R26-I28 HydrophobicContact CB-CG1 3.86Å; R26-I28 PolarHBondContact O-N 3.35Å; I28-E48 HydrophobicContact CG2-CB 3.73Å; I28-E48 HydrophobicContact CG2-CG 4.08Å; I28-Y49 WeakPolarHBondContact CA-O 3.4Å; I28-Q50 HydrophobicContact CG1-CB 4.45Å; I28-Q50 HydrophobicContact CG1-CG 4.39Å |
| 29 | K | 89.4 | Confident | 85.9 | Confident | 69 Ų | 69 | 92.4 Ų | 92.4 | 30% | 0.3 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.4 | 168.3 | -178.3 | -176.2 | 179.8 | -176.4 | 0 | 108.4 | E20 K21 F22 V31 Y49 | E20-K29 WeakPolarHBondContact OE1-CE 3.48Å; E20-K29 IonicContact OE1-NZ 2.78Å; E20-K29 PolarHBondContact OE1-NZ 3.06Å; E20-K29 WeakPolarHBondContact OE2-CE 3.44Å; E20-K29 IonicContact OE2-NZ 3.38Å; E20-K29 PolarHBondContact OE2-NZ 3.11Å; K21-K29 CarbonylContact O-C 3.48Å; F22-K29 HydrophobicContact CD2-CB 4.18Å; K29-V31 HydrophobicContact CD-CG2 4.33Å; K29-V31 HydrophobicContact CG-CG2 4.25Å; K29-Y49 PolarHBondContact N-O 2.94Å; K29-Y49 PolarHBondContact O-N 2.91Å |
| 30 | T | 88.1 | Confident | 85.7 | Confident | 19 Ų | 19 | 91 Ų | 91 | 12% | 0.117 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.8 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 109 | K21 V32 T46 K47 E48 | K21-T30 PolarHBondContact N-O 3.45Å; K21-T30 PolarHBondContact O-N 3.08Å; T30-V32 HydrophobicContact CG2-CG2 4.46Å; T30-T46 HydrophobicContact CG2-CG2 3.56Å; T30-K47 WeakPolarHBondContact CA-O 3.39Å; T30-E48 HydrophobicContact CG2-CG 4.22Å |
| 31 | V | 88.8 | Confident | 85.6 | Confident | 23 Ų | 23 | 90.3 Ų | 90.3 | 14% | 0.139 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.5 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | I18 E19 E20 K29 K47 Y49 | I18-V31 HydrophobicContact CG2-CG1 3.71Å; E19-V31 WeakPolarHBondContact O-CA 3.03Å; E20-V31 HydrophobicContact CG-CG1 4.46Å; E20-V31 HydrophobicContact CG-CG2 4.3Å; K29-V31 HydrophobicContact CD-CG2 4.33Å; K29-V31 HydrophobicContact CG-CG2 4.25Å; V31-K47 PolarHBondContact N-O 3.23Å; V31-K47 PolarHBondContact O-N 2.97Å; V31-Y49 HydrophobicContact CB-CE2 4Å; V31-Y49 HydrophobicContact CG2-CD2 3.91Å; V31-Y49 HydrophobicContact CG2-CE2 3.71Å |
| 32 | V | 88.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 89 Ų | 89 | 6% | 0.061 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.2 | 177.7 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | E19 T30 Y34 K44 E45 T46 | E19-V32 HydrophobicContact CB-CB 4.28Å; E19-V32 PolarHBondContact N-O 3.06Å; E19-V32 VanDerWaalsContact N-O 3.09Å; E19-V32 PolarHBondContact O-N 3.5Å; T30-V32 HydrophobicContact CG2-CG2 4.46Å; V32-Y34 HydrophobicContact CG1-CD2 4.47Å; V32-Y34 HydrophobicContact CG1-CE2 3.77Å; V32-K44 HydrophobicContact CG1-CD 4.21Å; V32-K44 VanDerWaalsContact CG1-CE 3.44Å; V32-K44 HydrophobicContact CG1-CG 3.86Å; V32-E45 WeakPolarHBondContact CA-O 3.37Å; V32-T46 HydrophobicContact CG2-CG2 4.05Å |
| 33 | R | 87.4 | Confident | 85.6 | Confident | 112 Ų | 112 | 85.9 Ų | 85.9 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 148.4 | 172.2 | 71.4 | 177.5 | -174.4 | 176.4 | 4.8 | 110.6 | I18 E45 | I18-R33 HydrophobicContact CG1-CB 4.44Å; R33-E45 HydrophobicContact CG-CB 3.95Å; R33-E45 HydrophobicContact CG-CG 4.45Å; R33-E45 IonicContact CZ-OE1 3.02Å; R33-E45 IonicContact CZ-OE2 2.72Å; R33-E45 PolarHBondContact N-O 3.14Å; R33-E45 VanDerWaalsContact NE-CD 3.32Å; R33-E45 IonicContact NE-OE1 2.66Å; R33-E45 IonicContact NE-OE2 2.82Å; R33-E45 PolarHBondContact NE-OE2 3.03Å; R33-E45 VanDerWaalsContact NH2-CD 3.28Å; R33-E45 IonicContact NH2-OE1 3.2Å; R33-E45 PolarHBondContact NH2-OE1 2.97Å; R33-E45 IonicContact NH2-OE2 2.62Å; R33-E45 PolarHBondContact NH2-OE2 3.26Å; R33-E45 PolarHBondContact O-N 3.35Å |
| 34 | Y | 86.8 | Confident | 85.7 | Confident | 51 Ų | 51 | 88 Ų | 88 | 20% | 0.2 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.8 | 173.3 | -61.7 | -92 | 0 | 0 | 0 | 108.9 | P16 V32 L42 I43 K44 | P16-Y34 HydrophobicContact CB-CD2 3.58Å; P16-Y34 HydrophobicContact CB-CE2 3.87Å; P16-Y34 HydrophobicContact CB-CG 4.2Å; P16-Y34 HydrophobicContact CG-CD1 4.23Å; P16-Y34 HydrophobicContact CG-CD2 3.64Å; P16-Y34 HydrophobicContact CG-CE2 4.06Å; P16-Y34 HydrophobicContact CG-CG 3.73Å; V32-Y34 HydrophobicContact CG1-CD2 4.47Å; V32-Y34 HydrophobicContact CG1-CE2 3.77Å; Y34-L42 HydrophobicContact CD1-CD2 4.41Å; Y34-I43 CarbonylContact C-O 3.59Å; Y34-I43 VanDerWaalsContact CA-O 3.29Å; Y34-I43 WeakPolarHBondContact CA-O 3.33Å; Y34-K44 HydrophobicContact CD1-CB 3.83Å; Y34-K44 HydrophobicContact CD1-CG 4.1Å; Y34-K44 HydrophobicContact CE1-CB 3.64Å; Y34-K44 HydrophobicContact CE1-CD 3.78Å; Y34-K44 HydrophobicContact CE1-CG 3.58Å |
| 35 | F | 85.3 | Confident | 86 | Confident | 62 Ų | 62 | 85.3 Ų | 85.3 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 156.6 | 174.9 | 64.5 | -84 | 0 | 0 | 0 | 110.4 | N37 I43 E45 | F35-N37 VanDerWaalsContact CE2-OD1 3.3Å; F35-N37 WeakPolarHBondContact CE2-OD1 3.3Å; F35-I43 HydrophobicContact CD1-CB 4.5Å; F35-I43 HydrophobicContact CE1-CB 4.06Å; F35-I43 HydrophobicContact CE1-CG2 3.76Å; F35-I43 HydrophobicContact CE2-CB 4.1Å; F35-I43 HydrophobicContact CE2-CG2 4.35Å; F35-I43 HydrophobicContact CZ-CB 3.85Å; F35-I43 HydrophobicContact CZ-CG2 3.63Å; F35-I43 PolarHBondContact N-O 3.44Å; F35-I43 PolarHBondContact O-N 3.27Å; F35-E45 HydrophobicContact CD1-CB 4.45Å; F35-E45 HydrophobicContact CE1-CB 3.74Å; F35-E45 WeakPolarHBondContact CE1-OE2 3.28Å |
| 36 | Y | 85.4 | Confident | 86.3 | Confident | 103 Ų | 103 | 79.8 Ų | 79.8 | 40% | 0.404 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.7 | 173.6 | -67.9 | -73.7 | 0 | 0 | 0 | 110.5 | L15 G40 D41 L42 | L15-Y36 HydrophobicContact CD1-CD2 4.31Å; L15-Y36 HydrophobicContact CD1-CE2 4.47Å; L15-Y36 HydrophobicContact CD2-CD2 3.62Å; L15-Y36 HydrophobicContact CD2-CE2 3.35Å; L15-Y36 HydrophobicContact CD2-CG 4.4Å; L15-Y36 HydrophobicContact CG-CD2 4.05Å; L15-Y36 HydrophobicContact CG-CE2 3.74Å; Y36-G40 WeakPolarHBondContact CD1-O 3.27Å; Y36-D41 WeakPolarHBondContact CA-O 3.48Å; Y36-L42 HydrophobicContact CD1-CB 4.34Å; Y36-L42 HydrophobicContact CD1-CD1 4.21Å; Y36-L42 HydrophobicContact CE1-CB 4.05Å; Y36-L42 HydrophobicContact CE1-CD1 3.81Å; Y36-L42 HydrophobicContact CE2-CD1 4.43Å |
| 37 | N | 83.8 | Confident | 86.6 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 35% | 0.348 | 37% | 0.373 | S | S | . | . | trans | -78 | 171.6 | 171.8 | -110.6 | 22.9 | 0 | 0 | 0 | 111.9 | F35 D39 G40 D41 I43 | F35-N37 VanDerWaalsContact CE2-OD1 3.3Å; F35-N37 WeakPolarHBondContact CE2-OD1 3.3Å; N37-D39 PolarHBondContact O-N 3.46Å; N37-G40 PolarHBondContact O-N 3.33Å; N37-D41 PolarHBondContact N-O 3.39Å; N37-I43 HydrophobicContact CB-CD1 4.08Å; N37-I43 HydrophobicContact CB-CG1 4.23Å; N37-I43 WeakPolarHBondContact ND2-CD1 3.45Å; N37-I43 VanDerWaalsContact OD1-CD1 3.27Å; N37-I43 WeakPolarHBondContact OD1-CD1 3.41Å | ||
| 38 | E | 85.5 | Confident | 87 | Confident | 201 Ų | 201 | 77.5 Ų | 77.5 | 94% | 0.939 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.2 | 175.3 | -63.5 | -177.4 | 170.3 | 0 | 0 | 112.7 | G40 | E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 3.4Å |
| 39 | D | 84.5 | Confident | 86.9 | Confident | 135 Ų | 135 | 81.9 Ų | 81.9 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.7 | 177.1 | -56.7 | -56.4 | 0 | 0 | 0 | 113.9 | N37 D41 | N37-D39 PolarHBondContact O-N 3.46Å; D39-D41 VanDerWaalsContact C-N 3.34Å |
| 40 | G | 81.8 | Confident | 86.8 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 51% | 0.505 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 85.3 | -0.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y36 N37 E38 | Y36-G40 WeakPolarHBondContact CD1-O 3.27Å; N37-G40 PolarHBondContact O-N 3.33Å; E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 3.4Å |
| 41 | D | 84.6 | Confident | 86.5 | Confident | 106 Ų | 106 | 92.1 Ų | 92.1 | 57% | 0.567 | 44% | 0.443 | S | S | * | . | trans | -73.7 | 139.3 | 176.6 | -70.3 | -33 | 0 | 0 | 0 | 112.2 | Y36 N37 D39 I43 | Y36-D41 WeakPolarHBondContact CA-O 3.48Å; N37-D41 PolarHBondContact N-O 3.39Å; D39-D41 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.36Å | ||
| 42 | L | 86.4 | Confident | 86.2 | Confident | 89 Ų | 89 | 96.9 Ų | 96.9 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 111.7 | 174.4 | -175.4 | 74.3 | 0 | 0 | 0 | 110.4 | L15 Y34 Y36 | L15-L42 HydrophobicContact CD2-CD1 3.36Å; Y34-L42 HydrophobicContact CD1-CD2 4.41Å; Y36-L42 HydrophobicContact CD1-CB 4.34Å; Y36-L42 HydrophobicContact CD1-CD1 4.21Å; Y36-L42 HydrophobicContact CE1-CB 4.05Å; Y36-L42 HydrophobicContact CE1-CD1 3.81Å; Y36-L42 HydrophobicContact CE2-CD1 4.43Å |
| 43 | I | 88.3 | Confident | 86 | Confident | 57 Ų | 57 | 106.3 Ų | 106.3 | 29% | 0.292 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.5 | 175.9 | -60.5 | -155.8 | 0 | 0 | 0 | 110.9 | Y34 F35 N37 D41 | Y34-I43 CarbonylContact C-O 3.59Å; Y34-I43 VanDerWaalsContact CA-O 3.29Å; Y34-I43 WeakPolarHBondContact CA-O 3.33Å; F35-I43 HydrophobicContact CD1-CB 4.5Å; F35-I43 HydrophobicContact CE1-CB 4.06Å; F35-I43 HydrophobicContact CE1-CG2 3.76Å; F35-I43 HydrophobicContact CE2-CB 4.1Å; F35-I43 HydrophobicContact CE2-CG2 4.35Å; F35-I43 HydrophobicContact CZ-CB 3.85Å; F35-I43 HydrophobicContact CZ-CG2 3.63Å; F35-I43 PolarHBondContact N-O 3.44Å; F35-I43 PolarHBondContact O-N 3.27Å; N37-I43 HydrophobicContact CB-CD1 4.08Å; N37-I43 HydrophobicContact CB-CG1 4.23Å; N37-I43 WeakPolarHBondContact ND2-CD1 3.45Å; N37-I43 VanDerWaalsContact OD1-CD1 3.27Å; N37-I43 WeakPolarHBondContact OD1-CD1 3.41Å; D41-I43 PolarHBondContact O-N 3.36Å |
| 44 | K | 89.1 | Confident | 86 | Confident | 122 Ų | 122 | 109.7 Ų | 109.7 | 53% | 0.53 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.1 | 167.8 | -179.4 | -177.8 | 177.2 | 172.7 | 0 | 109.7 | V32 Y34 | V32-K44 HydrophobicContact CG1-CD 4.21Å; V32-K44 VanDerWaalsContact CG1-CE 3.44Å; V32-K44 HydrophobicContact CG1-CG 3.86Å; Y34-K44 HydrophobicContact CD1-CB 3.83Å; Y34-K44 HydrophobicContact CD1-CG 4.1Å; Y34-K44 HydrophobicContact CE1-CB 3.64Å; Y34-K44 HydrophobicContact CE1-CD 3.78Å; Y34-K44 HydrophobicContact CE1-CG 3.58Å |
| 45 | E | 88.1 | Confident | 86.2 | Confident | 45 Ų | 45 | 114.4 Ų | 114.4 | 21% | 0.21 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.3 | 173.4 | 177.8 | 176.6 | -179.2 | 0 | 0 | 110.6 | V32 R33 F35 K47 | V32-E45 WeakPolarHBondContact CA-O 3.37Å; R33-E45 HydrophobicContact CG-CB 3.95Å; R33-E45 HydrophobicContact CG-CG 4.45Å; R33-E45 IonicContact CZ-OE1 3.02Å; R33-E45 IonicContact CZ-OE2 2.72Å; R33-E45 PolarHBondContact N-O 3.14Å; R33-E45 VanDerWaalsContact NE-CD 3.32Å; R33-E45 IonicContact NE-OE1 2.66Å; R33-E45 IonicContact NE-OE2 2.82Å; R33-E45 PolarHBondContact NE-OE2 3.03Å; R33-E45 VanDerWaalsContact NH2-CD 3.28Å; R33-E45 IonicContact NH2-OE1 3.2Å; R33-E45 PolarHBondContact NH2-OE1 2.97Å; R33-E45 IonicContact NH2-OE2 2.62Å; R33-E45 PolarHBondContact NH2-OE2 3.26Å; R33-E45 PolarHBondContact O-N 3.35Å; F35-E45 HydrophobicContact CD1-CB 4.45Å; F35-E45 HydrophobicContact CE1-CB 3.74Å; F35-E45 WeakPolarHBondContact CE1-OE2 3.28Å; E45-K47 HydrophobicContact CG-CG 4.31Å; E45-K47 WeakPolarHBondContact OE1-CE 2.99Å; E45-K47 IonicContact OE1-NZ 3.81Å; E45-K47 PolarHBondContact OE1-NZ 2.86Å |
| 46 | T | 89.2 | Confident | 86.5 | Confident | 71 Ų | 71 | 114.3 Ų | 114.3 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.2 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | T30 V32 | T30-T46 HydrophobicContact CG2-CG2 3.56Å; V32-T46 HydrophobicContact CG2-CG2 4.05Å |
| 47 | K | 87.5 | Confident | 87 | Confident | 78 Ų | 78 | 112.6 Ų | 112.6 | 34% | 0.339 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.4 | 176.9 | -75.7 | -176.2 | 170 | 145.9 | 0 | 110.5 | T30 V31 E45 Y49 | T30-K47 WeakPolarHBondContact CA-O 3.39Å; V31-K47 PolarHBondContact N-O 3.23Å; V31-K47 PolarHBondContact O-N 2.97Å; E45-K47 HydrophobicContact CG-CG 4.31Å; E45-K47 WeakPolarHBondContact OE1-CE 2.99Å; E45-K47 IonicContact OE1-NZ 3.81Å; E45-K47 PolarHBondContact OE1-NZ 2.86Å; K47-Y49 HydrophobicContact CB-CD2 4.45Å; K47-Y49 HydrophobicContact CB-CE2 3.66Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å |
| 48 | E | 90.2 | Very high | 87.4 | Confident | 133 Ų | 133 | 113.7 Ų | 113.7 | 62% | 0.621 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101 | 127.8 | 175.3 | -67.1 | -175.2 | -179.3 | 0 | 0 | 110.1 | I28 T30 | I28-E48 HydrophobicContact CG2-CB 3.73Å; I28-E48 HydrophobicContact CG2-CG 4.08Å; T30-E48 HydrophobicContact CG2-CG 4.22Å |
| 49 | Y | 86.1 | Confident | 87.9 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.9 | -179.7 | -61 | -87.8 | 0 | 0 | 0 | 110.1 | I28 K29 V31 K47 | I28-Y49 WeakPolarHBondContact CA-O 3.4Å; K29-Y49 PolarHBondContact N-O 2.94Å; K29-Y49 PolarHBondContact O-N 2.91Å; V31-Y49 HydrophobicContact CB-CE2 4Å; V31-Y49 HydrophobicContact CG2-CD2 3.91Å; V31-Y49 HydrophobicContact CG2-CE2 3.71Å; K47-Y49 HydrophobicContact CB-CD2 4.45Å; K47-Y49 HydrophobicContact CB-CE2 3.66Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å |
| 50 | Q | 86.7 | Confident | 88.3 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.5 | 172.2 | -164.3 | 177.5 | 31 | 0 | 0 | 110 | I28 E52 | I28-Q50 HydrophobicContact CG1-CB 4.45Å; I28-Q50 HydrophobicContact CG1-CG 4.39Å; Q50-E52 PolarHBondContact O-N 2.87Å |
| 51 | K | 81.2 | Confident | 88.8 | Confident | 172 Ų | 172 | 105.6 Ų | 105.6 | 75% | 0.748 | 53% | 0.528 | S | S | * | . | trans | -90.1 | 94.7 | 175.7 | -73.4 | -177.3 | -178.4 | 174.9 | 0 | 109.8 | N27 | N27-K51 PolarHBondContact ND2-O 2.92Š| ||
| 52 | E | 83.7 | Confident | 89.3 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | trans | -87.9 | 124.7 | 174.4 | -160.6 | -169.1 | 153.9 | 0 | 0 | 110.9 | Q50 R54 | Q50-E52 PolarHBondContact O-N 2.87Å; E52-R54 VanDerWaalsContact CD-NE 3.25Å; E52-R54 HydrophobicContact CG-CG 4.29Å; E52-R54 WeakPolarHBondContact OE1-CG 3.14Å; E52-R54 IonicContact OE1-CZ 3.8Å; E52-R54 IonicContact OE1-NE 3.84Å; E52-R54 PolarHBondContact OE1-NE 3.16Å; E52-R54 IonicContact OE1-NH2 2.65Å; E52-R54 PolarHBondContact OE1-NH2 3.38Å; E52-R54 IonicContact OE2-CZ 3.43Å; E52-R54 IonicContact OE2-NE 3.57Å; E52-R54 PolarHBondContact OE2-NE 3.5Å; E52-R54 IonicContact OE2-NH2 2.83Å; E52-R54 PolarHBondContact OE2-NH2 2.96Å | ||
| 53 | K | 84.6 | Confident | 89.7 | Confident | 209 Ų | 209 | 105.6 Ų | 105.6 | 91% | 0.909 | 52% | 0.519 | S | S | * | . | trans | -91.2 | 108.5 | 171.4 | -70.3 | -178.7 | -178.3 | 175.6 | 0 | 108.9 | ||||
| 54 | R | 87.1 | Confident | 89.7 | Confident | 182 Ų | 182 | 110.4 Ų | 110.4 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | trans | -100.8 | 130.2 | 173.5 | -66.6 | -169.7 | 179.1 | 170.7 | 8.6 | 111.1 | E52 | E52-R54 VanDerWaalsContact CD-NE 3.25Å; E52-R54 HydrophobicContact CG-CG 4.29Å; E52-R54 WeakPolarHBondContact OE1-CG 3.14Å; E52-R54 IonicContact OE1-CZ 3.8Å; E52-R54 IonicContact OE1-NE 3.84Å; E52-R54 PolarHBondContact OE1-NE 3.16Å; E52-R54 IonicContact OE1-NH2 2.65Å; E52-R54 PolarHBondContact OE1-NH2 3.38Å; E52-R54 IonicContact OE2-CZ 3.43Å; E52-R54 IonicContact OE2-NE 3.57Å; E52-R54 PolarHBondContact OE2-NE 3.5Å; E52-R54 IonicContact OE2-NH2 2.83Å; E52-R54 PolarHBondContact OE2-NH2 2.96Å | ||
| 55 | V | 91.8 | Very high | 89.7 | Confident | 150 Ų | 150 | 112.3 Ų | 112.3 | 91% | 0.909 | 55% | 0.546 | S | S | * | . | trans | -71 | 128.8 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 56 | V | 90.8 | Very high | 89.9 | Confident | 61 Ų | 61 | 118.7 Ų | 118.7 | 37% | 0.37 | 57% | 0.569 | S | S | . | * | trans | -129.2 | 156.3 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 109.3 | V60 A61 | V56-V60 HydrophobicContact CB-CB 4.28Å; V56-V60 HydrophobicContact CB-CG1 4.22Å; V56-V60 HydrophobicContact CG2-CB 4.44Å; V56-V60 HydrophobicContact CG2-CG1 4.43Å; V56-A61 HydrophobicContact CG2-CB 3.96Å | ||
| 57 | A | 95.6 | Very high | 90.1 | Very high | 66 Ų | 66 | 125.3 Ų | 125.3 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | trans | -57.2 | 145.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q59 V60 A61 | A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 3.14Å; A57-V60 HydrophobicContact CB-CG2 4.17Å; A57-V60 WeakPolarHBondContact O-CA 3.44Å; A57-V60 WeakPolarHBondContact O-CB 3.38Å; A57-V60 PolarHBondContact O-N 3.48Å; A57-A61 PolarHBondContact O-N 3.28Å; A57-A61 VanDerWaalsContact O-N 3.08Å | ||
| 58 | S | 93.3 | Very high | 90.3 | Very high | 88 Ų | 88 | 124.9 Ų | 124.9 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -52.3 | -47.3 | -175.3 | -169 | 0 | 0 | 0 | 0 | 112.5 | V60 A61 D62 | S58-V60 PolarHBondContact O-N 3.49Å; S58-A61 WeakPolarHBondContact O-CA 3.23Å; S58-A61 WeakPolarHBondContact O-CB 3.36Å; S58-A61 PolarHBondContact O-N 2.94Å; S58-D62 PolarHBondContact O-N 3.25Å |
| 59 | Q | 94.9 | Very high | 90.4 | Very high | 139 Ų | 139 | 126.9 Ų | 126.9 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.4 | -32.7 | 179 | -64.2 | -176.4 | -21.1 | 0 | 0 | 113 | A57 R63 | A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 3.14Å; Q59-R63 WeakPolarHBondContact O-CG 3.49Å; Q59-R63 PolarHBondContact O-N 2.84Å; Q59-R63 VanDerWaalsContact O-N 3.12Å |
| 60 | V | 93.5 | Very high | 90.7 | Very high | 46 Ų | 46 | 124 Ų | 124 | 28% | 0.279 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72 | -40.8 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | V56 A57 S58 D62 R63 K64 | V56-V60 HydrophobicContact CB-CB 4.28Å; V56-V60 HydrophobicContact CB-CG1 4.22Å; V56-V60 HydrophobicContact CG2-CB 4.44Å; V56-V60 HydrophobicContact CG2-CG1 4.43Å; A57-V60 HydrophobicContact CB-CG2 4.17Å; A57-V60 WeakPolarHBondContact O-CA 3.44Å; A57-V60 WeakPolarHBondContact O-CB 3.38Å; A57-V60 PolarHBondContact O-N 3.48Å; S58-V60 PolarHBondContact O-N 3.49Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 3.49Å; V60-R63 PolarHBondContact O-N 3.44Å; V60-K64 WeakPolarHBondContact O-CG 3.36Å; V60-K64 PolarHBondContact O-N 3.09Å |
| 61 | A | 91.8 | Very high | 90.9 | Very high | 31 Ų | 31 | 122.7 Ų | 122.7 | 26% | 0.256 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.9 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V56 A57 S58 K64 K65 | V56-A61 HydrophobicContact CG2-CB 3.96Å; A57-A61 PolarHBondContact O-N 3.28Å; A57-A61 VanDerWaalsContact O-N 3.08Å; S58-A61 WeakPolarHBondContact O-CA 3.23Å; S58-A61 WeakPolarHBondContact O-CB 3.36Å; S58-A61 PolarHBondContact O-N 2.94Å; A61-K64 PolarHBondContact O-N 2.89Å; A61-K65 WeakPolarHBondContact O-CG 3.41Å; A61-K65 PolarHBondContact O-N 3.37Å |
| 62 | D | 94.9 | Very high | 91.2 | Very high | 75 Ų | 75 | 116.6 Ų | 116.6 | 40% | 0.401 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.9 | -42.7 | 178.2 | -63.3 | -33.7 | 0 | 0 | 0 | 111.5 | S58 V60 K64 K65 | S58-D62 PolarHBondContact O-N 3.25Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 3.49Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.4Å; D62-K65 PolarHBondContact O-N 2.94Å; D62-K65 VanDerWaalsContact O-N 3.15Å; D62-K65 IonicContact OD1-NZ 2.8Å |
| 63 | R | 94.5 | Very high | 91.5 | Very high | 120 Ų | 120 | 117.8 Ų | 117.8 | 45% | 0.453 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.1 | -35.8 | 174.5 | -74.6 | -169.3 | -61.5 | -96 | 8.4 | 113.1 | Q59 V60 K65 W66 | Q59-R63 WeakPolarHBondContact O-CG 3.49Å; Q59-R63 PolarHBondContact O-N 2.84Å; Q59-R63 VanDerWaalsContact O-N 3.12Å; V60-R63 PolarHBondContact O-N 3.44Å; R63-K65 PolarHBondContact O-N 2.83Å; R63-W66 HydrophobicContact CG-CE3 4.5Å; R63-W66 HydrophobicContact CG-CH2 3.97Å; R63-W66 HydrophobicContact CG-CZ2 3.96Å; R63-W66 HydrophobicContact CG-CZ3 4.23Å; R63-W66 WeakPolarHBondContact O-CB 3.35Å; R63-W66 PolarHBondContact O-N 3.39Å |
| 64 | K | 89.9 | Confident | 91.7 | Very high | 157 Ų | 157 | 113 Ų | 113 | 68% | 0.683 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.7 | -21.9 | 177.1 | -78.4 | -176.1 | 175.8 | -172 | 0 | 113.5 | V60 A61 D62 W66 | V60-K64 WeakPolarHBondContact O-CG 3.36Å; V60-K64 PolarHBondContact O-N 3.09Å; A61-K64 PolarHBondContact O-N 2.89Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.4Å; K64-W66 VanDerWaalsContact C-N 3.34Å |
| 65 | K | 89.6 | Confident | 91.7 | Very high | 162 Ų | 162 | 106 Ų | 106 | 70% | 0.704 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -6.2 | 177.9 | -64.9 | 169.4 | -171.8 | 166.4 | 0 | 113.2 | A61 D62 R63 | A61-K65 WeakPolarHBondContact O-CG 3.41Å; A61-K65 PolarHBondContact O-N 3.37Å; D62-K65 PolarHBondContact O-N 2.94Å; D62-K65 VanDerWaalsContact O-N 3.15Å; D62-K65 IonicContact OD1-NZ 2.8Å; R63-K65 PolarHBondContact O-N 2.83Å |
| 66 | W | 92 | Very high | 91.4 | Very high | 180 Ų | 180 | 103.7 Ų | 103.7 | 68% | 0.682 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -64.8 | 136.9 | -179.1 | -70.5 | -3.8 | 0 | 0 | 0 | 111.8 | R63 K64 | R63-W66 HydrophobicContact CG-CE3 4.5Å; R63-W66 HydrophobicContact CG-CH2 3.97Å; R63-W66 HydrophobicContact CG-CZ2 3.96Å; R63-W66 HydrophobicContact CG-CZ3 4.23Å; R63-W66 WeakPolarHBondContact O-CB 3.35Å; R63-W66 PolarHBondContact O-N 3.39Å; K64-W66 VanDerWaalsContact C-N 3.34Å |
| 67 | R | 91.9 | Very high | 91.1 | Very high | 210 Ų | 210 | 107 Ų | 107 | 79% | 0.792 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.9 | 173.2 | -177.2 | 169.8 | 58.7 | 142.9 | -2.1 | 109.4 | ||
| 68 | K | 91.7 | Very high | 90.4 | Very high | 69 Ų | 69 | 106.4 Ų | 106.4 | 30% | 0.3 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 149.9 | 174.4 | -59.1 | -176.1 | 176.9 | -174.3 | 0 | 110.9 | S72 D75 P76 | K68-S72 WeakPolarHBondContact CB-O 3.5Å; K68-S72 WeakPolarHBondContact CD-O 3.18Å; K68-D75 HydrophobicContact CD-CB 3.86Å; K68-D75 WeakPolarHBondContact CD-O 3.38Å; K68-D75 VanDerWaalsContact NZ-CB 3.33Å; K68-D75 PolarHBondContact NZ-O 2.79Å; K68-P76 PolarHBondContact NZ-O 2.99Å |
| 69 | F | 93 | Very high | 89.7 | Confident | 174 Ų | 174 | 105 Ų | 105 | 76% | 0.763 | 57% | 0.573 | S | S | * | * | trans | -138.9 | 172.7 | -177.1 | 59.7 | -92.3 | 0 | 0 | 0 | 111.2 | S72 | F69-S72 PolarHBondContact O-N 3.32Š| ||
| 70 | G | 93.4 | Very high | 89 | Confident | 60 Ų | 60 | 101 Ų | 101 | 62% | 0.619 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | 62.3 | -136.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S72 K73 | G70-S72 PolarHBondContact O-N 3.26Å; G70-K73 WeakPolarHBondContact O-CB 3.46Å; G70-K73 PolarHBondContact O-N 3.22Å |
| 71 | A | 89.6 | Confident | 88.3 | Confident | 104 Ų | 104 | 105.8 Ų | 105.8 | 86% | 0.86 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -62.3 | -22.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 72 | S | 88.3 | Confident | 87.7 | Confident | 43 Ų | 43 | 107 Ų | 107 | 30% | 0.301 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -96.4 | 10 | -179.1 | -69.4 | 0 | 0 | 0 | 0 | 114.3 | K68 F69 G70 S74 D75 | K68-S72 WeakPolarHBondContact CB-O 3.5Å; K68-S72 WeakPolarHBondContact CD-O 3.18Å; F69-S72 PolarHBondContact O-N 3.32Å; G70-S72 PolarHBondContact O-N 3.26Å; S72-S74 PolarHBondContact O-N 3.5Å; S72-D75 WeakPolarHBondContact CA-OD2 3.32Å; S72-D75 WeakPolarHBondContact CB-OD2 3.44Å; S72-D75 WeakPolarHBondContact O-CB 3.3Å; S72-D75 PolarHBondContact O-N 3.11Å; S72-D75 VanDerWaalsContact O-N 3.09Å; S72-D75 PolarHBondContact OG-OD2 3.5Å |
| 73 | K | 89.8 | Confident | 87 | Confident | 148 Ų | 148 | 109.6 Ų | 109.6 | 64% | 0.643 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -33.7 | -175.7 | -175 | -179.6 | 176.8 | -173.6 | 0 | 113.4 | G70 | G70-K73 WeakPolarHBondContact O-CB 3.46Å; G70-K73 PolarHBondContact O-N 3.22Å |
| 74 | S | 88 | Confident | 86.3 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -4.1 | 179.7 | 49.5 | 0 | 0 | 0 | 0 | 114 | S72 | S72-S74 PolarHBondContact O-N 3.5Š|
| 75 | D | 87.5 | Confident | 85.7 | Confident | 37 Ų | 37 | 108 Ų | 108 | 20% | 0.198 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -73.2 | 135.4 | -174.3 | -69 | -19.8 | 0 | 0 | 0 | 111.3 | K68 S72 N80 | K68-D75 HydrophobicContact CD-CB 3.86Å; K68-D75 WeakPolarHBondContact CD-O 3.38Å; K68-D75 VanDerWaalsContact NZ-CB 3.33Å; K68-D75 PolarHBondContact NZ-O 2.79Å; S72-D75 WeakPolarHBondContact CA-OD2 3.32Å; S72-D75 WeakPolarHBondContact CB-OD2 3.44Å; S72-D75 WeakPolarHBondContact O-CB 3.3Å; S72-D75 PolarHBondContact O-N 3.11Å; S72-D75 VanDerWaalsContact O-N 3.09Å; S72-D75 PolarHBondContact OG-OD2 3.5Å; D75-N80 PolarHBondContact OD1-ND2 3.11Å |
| 76 | P | 85.5 | Confident | 85.2 | Confident | 101 Ų | 101 | 106 Ų | 106 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 159.8 | 175.9 | 27.8 | -34.7 | 0 | 0 | 0 | 111.6 | K68 G78 | K68-P76 PolarHBondContact NZ-O 2.99Å; P76-G78 PolarHBondContact O-N 2.97Å |
| 77 | S | 83.8 | Confident | 84.5 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 92% | 0.916 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -61.2 | 130.3 | 174 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 78 | G | 80.8 | Confident | 84.2 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | S | Bend | trans | 120.9 | -177.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P76 | P76-G78 PolarHBondContact O-N 2.97Š|
| 79 | G | 78.7 | Confident | 83.8 | Confident | 57 Ų | 57 | 102.2 Ų | 102.2 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | trans | -69.6 | 142.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T84 | G79-T84 WeakPolarHBondContact CA-OG1 3.41Š| ||
| 80 | N | 80.8 | Confident | 83.4 | Confident | 55 Ų | 55 | 99.2 Ų | 99.2 | 29% | 0.294 | 63% | 0.633 | S | S | . | * | trans | -98.5 | 137 | 172.6 | -173.2 | -16.3 | 0 | 0 | 0 | 107.7 | D75 A82 N83 T84 | D75-N80 PolarHBondContact OD1-ND2 3.11Å; N80-A82 PolarHBondContact O-N 3.49Å; N80-A82 VanDerWaalsContact O-N 3.08Å; N80-A82 PolarHBondContact OD1-N 2.98Å; N80-N83 CarbonylContact O-C 3.55Å; N80-N83 PolarHBondContact O-N 3Å; N80-T84 WeakPolarHBondContact O-CB 3.1Å; N80-T84 PolarHBondContact O-N 2.91Å; N80-T84 PolarHBondContact O-OG1 2.93Å | ||
| 81 | L | 79.2 | Confident | 83 | Confident | 147 Ų | 147 | 102.3 Ų | 102.3 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -29 | 177.2 | -74.8 | 149.3 | 0 | 0 | 0 | 112.4 | N83 Y85 | L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 3.49Å; L81-Y85 WeakPolarHBondContact O-CE1 3.22Å; L81-Y85 PolarHBondContact O-OH 3.32Å |
| 82 | A | 79.7 | Confident | 82.5 | Confident | 58 Ų | 58 | 105.3 Ų | 105.3 | 48% | 0.479 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -33.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N80 Y85 | N80-A82 PolarHBondContact O-N 3.49Å; N80-A82 VanDerWaalsContact O-N 3.08Å; N80-A82 PolarHBondContact OD1-N 2.98Å; A82-Y85 WeakPolarHBondContact O-CE2 3.42Å; A82-Y85 PolarHBondContact O-OH 2.91Å |
| 83 | N | 79.6 | Confident | 82.1 | Confident | 128 Ų | 128 | 110.7 Ų | 110.7 | 68% | 0.684 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -5.8 | -169.3 | -61.7 | 5 | 0 | 0 | 0 | 113.4 | N80 L81 | N80-N83 CarbonylContact O-C 3.55Å; N80-N83 PolarHBondContact O-N 3Å; L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 3.49Å |
| 84 | T | 79.2 | Confident | 81.7 | Confident | 78 Ų | 78 | 111.9 Ų | 111.9 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | trans | -131.5 | 101.3 | -174.2 | -52 | 0 | 0 | 0 | 0 | 108.4 | G79 N80 | G79-T84 WeakPolarHBondContact CA-OG1 3.41Å; N80-T84 WeakPolarHBondContact O-CB 3.1Å; N80-T84 PolarHBondContact O-N 2.91Å; N80-T84 PolarHBondContact O-OG1 2.93Å | ||
| 85 | Y | 78.3 | Confident | 81.2 | Confident | 165 Ų | 165 | 110.1 Ų | 110.1 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | trans | -104.5 | 151.3 | 173 | -59.4 | -86.4 | 0 | 0 | 0 | 108.8 | L81 A82 A87 | L81-Y85 WeakPolarHBondContact O-CE1 3.22Å; L81-Y85 PolarHBondContact O-OH 3.32Å; A82-Y85 WeakPolarHBondContact O-CE2 3.42Å; A82-Y85 PolarHBondContact O-OH 2.91Å; Y85-A87 PolarHBondContact O-N 3.46Å | ||
| 86 | P | 79.6 | Confident | 80.8 | Confident | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128.6 | 168.1 | 25.1 | -32.8 | 0 | 0 | 0 | 108.2 | D88 | P86-D88 PolarHBondContact O-N 2.9Š|
| 87 | A | 76.3 | Confident | 80.3 | Confident | 93 Ų | 93 | 116.7 Ų | 116.7 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y85 | Y85-A87 PolarHBondContact O-N 3.46Š|
| 88 | D | 84.7 | Confident | 79.5 | Confident | 146 Ų | 146 | 122.8 Ų | 122.8 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 136.8 | 166.6 | -70.1 | -24.4 | 0 | 0 | 0 | 109.4 | P86 V90 | P86-D88 PolarHBondContact O-N 2.9Å; D88-V90 PolarHBondContact O-N 3.42Å |
| 89 | V | 85.3 | Confident | 78.7 | Confident | 141 Ų | 141 | 124 Ų | 124 | 86% | 0.855 | 68% | 0.678 | S | S | * | * | trans | -74.1 | 97.8 | 177 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 90 | V | 83.9 | Confident | 78.1 | Confident | 111 Ų | 111 | 124.8 Ų | 124.8 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | trans | -89.6 | 109.7 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | D88 M92 | D88-V90 PolarHBondContact O-N 3.42Å; V90-M92 HydrophobicContact CG1-CG 4.17Å; V90-M92 PolarHBondContact O-N 3.28Å | ||
| 91 | T | 84.6 | Confident | 77.3 | Confident | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 69% | 0.688 | S | S | * | * | trans | -78.9 | 105.1 | 173.4 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 92 | M | 80.1 | Confident | 76.5 | Confident | 166 Ų | 166 | 128.9 Ų | 128.9 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -91.4 | 123.3 | 174.6 | -66.4 | -174.6 | -75.8 | 0 | 0 | 110.5 | V90 | V90-M92 HydrophobicContact CG1-CG 4.17Å; V90-M92 PolarHBondContact O-N 3.28Å | ||
| 93 | Q | 79.6 | Confident | 75.6 | Confident | 156 Ų | 156 | 130.9 Ų | 130.9 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | trans | -99.5 | 122.1 | 169.8 | -67.3 | -175.2 | -2.1 | 0 | 0 | 109.6 | V95 | Q93-V95 PolarHBondContact O-N 3.36Š| ||
| 94 | I | 80.3 | Confident | 74.7 | Confident | 173 Ų | 173 | 127.5 Ų | 127.5 | 89% | 0.887 | 67% | 0.666 | S | S | * | * | trans | -83.9 | 111.7 | 176.8 | -57.2 | 171.6 | 0 | 0 | 0 | 107.8 | ||||
| 95 | V | 77.8 | Confident | 74.1 | Confident | 71 Ų | 71 | 129 Ų | 129 | 43% | 0.43 | 67% | 0.666 | S | S | . | * | trans | -105.8 | 129.8 | 179.4 | -154 | 0 | 0 | 0 | 0 | 109.1 | Q93 S97 | Q93-V95 PolarHBondContact O-N 3.36Å; V95-S97 WeakPolarHBondContact CG1-O 3.39Å; V95-S97 PolarHBondContact O-N 3.46Å | ||
| 96 | Q | 78.4 | Confident | 73.5 | Confident | 200 Ų | 200 | 127.6 Ų | 127.6 | 94% | 0.935 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -66 | -17 | -178.9 | -68.9 | -176.8 | -17.2 | 0 | 0 | 113.3 | ||
| 97 | S | 75.4 | Confident | 72.7 | Confident | 75 Ų | 75 | 126.4 Ų | 126.4 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -135.4 | 133.6 | -177.8 | -45.1 | 0 | 0 | 0 | 0 | 108.9 | V95 Q99 | V95-S97 WeakPolarHBondContact CG1-O 3.39Å; V95-S97 PolarHBondContact O-N 3.46Å; S97-Q99 VanDerWaalsContact C-N 3.27Å; S97-Q99 PolarHBondContact O-N 3.15Å |
| 98 | R | 68 | Low | 72.2 | Confident | 259 Ų | 259 | 127.1 Ų | 127.1 | 98% | 0.977 | 64% | 0.635 | S | S | * | * | trans | -67.8 | 86.6 | 170.8 | -78.8 | -179 | 174 | 171.9 | -2.3 | 108.8 | ||||
| 99 | Q | 63.9 | Low | 71.3 | Confident | 78 Ų | 78 | 125.9 Ų | 125.9 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | trans | -74 | 136.6 | 163.4 | -71.3 | -179 | 5.2 | 0 | 0 | 108.3 | S97 E101 Q104 | S97-Q99 VanDerWaalsContact C-N 3.27Å; S97-Q99 PolarHBondContact O-N 3.15Å; Q99-E101 PolarHBondContact O-N 3.28Å; Q99-Q104 HydrophobicContact CB-CG 4.49Å | ||
| 100 | P | 64.8 | Low | 70.2 | Confident | 75 Ų | 75 | 124.1 Ų | 124.1 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | trans | -60.3 | 135.2 | 173.1 | 25.4 | -31.7 | 0 | 0 | 0 | 109.3 | Q102 E103 | P100-Q102 PolarHBondContact O-N 3.03Å; P100-E103 HydrophobicContact CG-CG 4.09Å; P100-E103 PolarHBondContact O-N 3.48Å | ||
| 101 | E | 65.2 | Low | 69.4 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 61% | 0.607 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -50.3 | -25 | -173.8 | -147.3 | -170.9 | 137 | 0 | 0 | 114 | Q99 K105 | Q99-E101 PolarHBondContact O-N 3.28Å; E101-K105 PolarHBondContact O-N 2.78Å; E101-K105 WeakPolarHBondContact OE1-CE 3.13Å; E101-K105 IonicContact OE1-NZ 2.82Å; E101-K105 PolarHBondContact OE1-NZ 3.33Å |
| 102 | Q | 61 | Low | 68.6 | Low | 158 Ų | 158 | 121 Ų | 121 | 74% | 0.738 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.9 | -30 | 176.8 | -69.9 | 179.5 | -11.6 | 0 | 0 | 114.1 | P100 K106 | P100-Q102 PolarHBondContact O-N 3.03Å; Q102-K106 WeakPolarHBondContact O-CG 3.17Å; Q102-K106 PolarHBondContact O-N 2.83Å |
| 103 | E | 61.3 | Low | 67.7 | Low | 99 Ų | 99 | 119 Ų | 119 | 46% | 0.463 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -77.4 | -36 | 178 | -73.1 | 179.1 | 168 | 0 | 0 | 111.7 | P100 K106 Q107 | P100-E103 HydrophobicContact CG-CG 4.09Å; P100-E103 PolarHBondContact O-N 3.48Å; E103-K106 PolarHBondContact O-N 2.97Å; E103-Q107 WeakPolarHBondContact O-CG 3.09Å; E103-Q107 PolarHBondContact O-N 2.79Å |
| 104 | Q | 60.7 | Low | 66.8 | Low | 58 Ų | 58 | 116.9 Ų | 116.9 | 27% | 0.271 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.6 | -47.7 | 175.1 | -70.4 | 178.4 | -10.2 | 0 | 0 | 111.1 | Q99 K106 Q107 E108 | Q99-Q104 HydrophobicContact CB-CG 4.49Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 2.95Å; Q104-Q107 PolarHBondContact O-N 2.94Å; Q104-Q107 VanDerWaalsContact O-N 3.13Å; Q104-E108 WeakPolarHBondContact O-CG 3.3Å; Q104-E108 PolarHBondContact O-N 2.94Å |
| 105 | K | 66.6 | Low | 65.8 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 47% | 0.474 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.1 | -41.2 | 175.8 | -72.2 | 177.3 | -175.6 | 164.4 | 0 | 112.2 | E101 E108 E109 | E101-K105 PolarHBondContact O-N 2.78Å; E101-K105 WeakPolarHBondContact OE1-CE 3.13Å; E101-K105 IonicContact OE1-NZ 2.82Å; E101-K105 PolarHBondContact OE1-NZ 3.33Å; K105-E108 PolarHBondContact O-N 2.81Å; K105-E109 WeakPolarHBondContact O-CB 3.4Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.23Å |
| 106 | K | 66.8 | Low | 64.9 | Low | 135 Ų | 135 | 120.5 Ų | 120.5 | 59% | 0.587 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.6 | -43.2 | 174.4 | -83.4 | -178.3 | 177.3 | 178 | 0 | 112.7 | Q102 E103 Q104 E109 M110 | Q102-K106 WeakPolarHBondContact O-CG 3.17Å; Q102-K106 PolarHBondContact O-N 2.83Å; E103-K106 PolarHBondContact O-N 2.97Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 2.95Å; K106-E109 PolarHBondContact O-N 3.28Å; K106-M110 HydrophobicContact CB-CE 4.17Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CE 3.37Å; K106-M110 VanDerWaalsContact O-CG 3.24Å; K106-M110 WeakPolarHBondContact O-CG 3.44Å; K106-M110 PolarHBondContact O-N 3.33Å |
| 107 | Q | 61.9 | Low | 63.8 | Low | 96 Ų | 96 | 114 Ų | 114 | 45% | 0.449 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67 | -38.8 | 178.2 | -74.7 | 178.7 | 19 | 0 | 0 | 112.2 | E103 Q104 M110 N111 | E103-Q107 WeakPolarHBondContact O-CG 3.09Å; E103-Q107 PolarHBondContact O-N 2.79Å; Q104-Q107 PolarHBondContact O-N 2.94Å; Q104-Q107 VanDerWaalsContact O-N 3.13Å; Q107-M110 HydrophobicContact CG-CE 4.19Å; Q107-M110 PolarHBondContact O-N 3.34Å; Q107-N111 WeakPolarHBondContact O-CB 3.25Å; Q107-N111 VanDerWaalsContact O-CG 3.28Å; Q107-N111 PolarHBondContact O-N 2.85Å; Q107-N111 PolarHBondContact O-ND2 2.86Å |
| 108 | E | 65.9 | Low | 63 | Low | 109 Ų | 109 | 117.1 Ų | 117.1 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.6 | -46.5 | 174.3 | -72.3 | 177.6 | 167.9 | 0 | 0 | 111.4 | Q104 K105 M110 N111 V112 | Q104-E108 WeakPolarHBondContact O-CG 3.3Å; Q104-E108 PolarHBondContact O-N 2.94Å; K105-E108 PolarHBondContact O-N 2.81Å; E108-M110 VanDerWaalsContact C-N 3.34Å; E108-M110 PolarHBondContact O-N 2.63Å; E108-N111 PolarHBondContact O-N 3.11Å; E108-V112 WeakPolarHBondContact O-CB 3.25Å; E108-V112 VanDerWaalsContact O-CG2 3.23Å; E108-V112 WeakPolarHBondContact O-CG2 3.42Å; E108-V112 PolarHBondContact O-N 2.85Å |
| 109 | E | 66 | Low | 62.5 | Low | 119 Ų | 119 | 109.7 Ų | 109.7 | 56% | 0.556 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60 | -41.1 | 174.9 | -75.6 | 177.2 | 178.2 | 0 | 0 | 112.5 | K105 K106 K113 | K105-E109 WeakPolarHBondContact O-CB 3.4Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.23Å; K106-E109 PolarHBondContact O-N 3.28Å; E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.36Å |
| 110 | M | 62.6 | Low | 62.5 | Low | 105 Ų | 105 | 111.6 Ų | 111.6 | 52% | 0.517 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -44 | 175.6 | -74 | -174.3 | -78.1 | 0 | 0 | 111.7 | K106 Q107 E108 V112 K113 I114 | K106-M110 HydrophobicContact CB-CE 4.17Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CE 3.37Å; K106-M110 VanDerWaalsContact O-CG 3.24Å; K106-M110 WeakPolarHBondContact O-CG 3.44Å; K106-M110 PolarHBondContact O-N 3.33Å; Q107-M110 HydrophobicContact CG-CE 4.19Å; Q107-M110 PolarHBondContact O-N 3.34Å; E108-M110 VanDerWaalsContact C-N 3.34Å; E108-M110 PolarHBondContact O-N 2.63Å; M110-V112 VanDerWaalsContact C-N 3.35Å; M110-V112 PolarHBondContact O-N 3.46Å; M110-K113 PolarHBondContact O-N 3.05Å; M110-I114 WeakPolarHBondContact O-CD1 3.26Å; M110-I114 VanDerWaalsContact O-CG1 3.27Å; M110-I114 WeakPolarHBondContact O-CG1 3.15Å; M110-I114 PolarHBondContact O-N 2.98Å |
| 111 | N | 67.1 | Low | 62.8 | Low | 92 Ų | 92 | 111 Ų | 111 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -34.8 | 178.2 | -77.2 | -19.9 | 0 | 0 | 0 | 112.7 | Q107 E108 I114 K115 | Q107-N111 WeakPolarHBondContact O-CB 3.25Å; Q107-N111 VanDerWaalsContact O-CG 3.28Å; Q107-N111 PolarHBondContact O-N 2.85Å; Q107-N111 PolarHBondContact O-ND2 2.86Å; E108-N111 PolarHBondContact O-N 3.11Å; N111-I114 PolarHBondContact O-N 3.17Å; N111-K115 WeakPolarHBondContact O-CG 3.01Å; N111-K115 PolarHBondContact O-N 3.16Å |
| 112 | V | 66.9 | Low | 63.4 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 47% | 0.473 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67 | -43.7 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | E108 M110 I114 K115 L116 | E108-V112 WeakPolarHBondContact O-CB 3.25Å; E108-V112 VanDerWaalsContact O-CG2 3.23Å; E108-V112 WeakPolarHBondContact O-CG2 3.42Å; E108-V112 PolarHBondContact O-N 2.85Å; M110-V112 VanDerWaalsContact C-N 3.35Å; M110-V112 PolarHBondContact O-N 3.46Å; V112-I114 VanDerWaalsContact C-N 3.33Å; V112-I114 PolarHBondContact O-N 2.89Å; V112-K115 PolarHBondContact O-N 2.82Å; V112-L116 HydrophobicContact CG1-CD1 3.47Å; V112-L116 VanDerWaalsContact CG1-CD1 3.47Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 WeakPolarHBondContact O-CD1 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.42Å |
| 113 | K | 61.6 | Low | 64.4 | Low | 125 Ų | 125 | 101.4 Ų | 101.4 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 174.3 | -74.9 | 174.9 | 179.6 | 177.7 | 0 | 112.9 | E109 M110 L116 | E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.36Å; M110-K113 PolarHBondContact O-N 3.05Å; K113-L116 PolarHBondContact O-N 3.21Å |
| 114 | I | 60.2 | Low | 65.4 | Low | 111 Ų | 111 | 103.3 Ų | 103.3 | 57% | 0.569 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 175.5 | -65.3 | 162.7 | 0 | 0 | 0 | 111.4 | M110 N111 V112 | M110-I114 WeakPolarHBondContact O-CD1 3.26Å; M110-I114 VanDerWaalsContact O-CG1 3.27Å; M110-I114 WeakPolarHBondContact O-CG1 3.15Å; M110-I114 PolarHBondContact O-N 2.98Å; N111-I114 PolarHBondContact O-N 3.17Å; V112-I114 VanDerWaalsContact C-N 3.33Å; V112-I114 PolarHBondContact O-N 2.89Å |
| 115 | K | 60.5 | Low | 66.3 | Low | 187 Ų | 187 | 104.6 Ų | 104.6 | 81% | 0.813 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.9 | -24.7 | 178.5 | -76.3 | -178.8 | 179.3 | 178.5 | 0 | 113.8 | N111 V112 G117 | N111-K115 WeakPolarHBondContact O-CG 3.01Å; N111-K115 PolarHBondContact O-N 3.16Å; V112-K115 PolarHBondContact O-N 2.82Å; K115-G117 VanDerWaalsContact C-N 3.25Å; K115-G117 PolarHBondContact O-N 2.86Å |
| 116 | L | 57.3 | Low | 66.9 | Low | 133 Ų | 133 | 101.6 Ų | 101.6 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 5.7 | 179.6 | -80.4 | 157.4 | 0 | 0 | 0 | 114.4 | V112 K113 E118 | V112-L116 HydrophobicContact CG1-CD1 3.47Å; V112-L116 VanDerWaalsContact CG1-CD1 3.47Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 WeakPolarHBondContact O-CD1 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.42Å; K113-L116 PolarHBondContact O-N 3.21Å; L116-E118 PolarHBondContact O-N 2.85Å |
| 117 | G | 55.2 | Low | 67.4 | Low | 63 Ų | 63 | 103.6 Ų | 103.6 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 16.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K115 P119 | K115-G117 VanDerWaalsContact C-N 3.25Å; K115-G117 PolarHBondContact O-N 2.86Å; G117-P119 WeakPolarHBondContact O-CD 3.43Å |
| 118 | E | 58.4 | Low | 68.2 | Low | 140 Ų | 140 | 100.2 Ų | 100.2 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | trans | -78.4 | 116.3 | 173.3 | -156.9 | 162.2 | -159.4 | 0 | 0 | 109.1 | L116 V120 | L116-E118 PolarHBondContact O-N 2.85Å; E118-V120 PolarHBondContact O-N 3.38Å | ||
| 119 | P | 57.5 | Low | 69 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | trans | -70.3 | 107.5 | -175.4 | 27.5 | -32 | 0 | 0 | 0 | 109.4 | G117 I121 | G117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-I121 HydrophobicContact CB-CD1 4.44Å; P119-I121 PolarHBondContact O-N 3.42Å | ||
| 120 | V | 65.7 | Low | 69.8 | Low | 118 Ų | 118 | 95.4 Ų | 95.4 | 72% | 0.715 | 53% | 0.528 | S | S | * | . | trans | -71.7 | 60.2 | 173.8 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | E118 | E118-V120 PolarHBondContact O-N 3.38Š| ||
| 121 | I | 70.8 | Confident | 70.8 | Confident | 62 Ų | 62 | 96.8 Ų | 96.8 | 32% | 0.318 | 53% | 0.531 | S | S | . | . | trans | -119.3 | 105 | 174.6 | -61.9 | 159.9 | 0 | 0 | 0 | 107.2 | P119 G129 F131 | P119-I121 HydrophobicContact CB-CD1 4.44Å; P119-I121 PolarHBondContact O-N 3.42Å; I121-G129 CarbonylContact O-C 3.59Å; I121-G129 WeakPolarHBondContact O-CA 3.49Å; I121-F131 HydrophobicContact CD1-CE1 3.82Å; I121-F131 HydrophobicContact CD1-CE2 4Å; I121-F131 HydrophobicContact CD1-CZ 3.46Å; I121-F131 VanDerWaalsContact CD1-CZ 3.46Å; I121-F131 HydrophobicContact CG1-CE1 4.35Å; I121-F131 HydrophobicContact CG1-CZ 4.45Å; I121-F131 HydrophobicContact CG2-CD1 3.9Å; I121-F131 HydrophobicContact CG2-CE1 4.1Å; I121-F131 HydrophobicContact CG2-CG 4.18Å | ||
| 122 | V | 77.9 | Confident | 71.6 | Confident | 86 Ų | 86 | 94.4 Ų | 94.4 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | trans | -108 | 126 | 179 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | N124 K127 G128 | V122-N124 PolarHBondContact O-N 3.01Å; V122-K127 HydrophobicContact CG1-CB 4.02Å; V122-G128 WeakPolarHBondContact CA-O 3.37Å | ||
| 123 | C | 82.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 102 Ų | 102 | 0% | 0 | 54% | 0.54 | C | S | . | . | trans | -66.9 | 130.4 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | Y125 C126 K127 G128 H130 C135 | C123-Y125 VanDerWaalsContact C-N 3.27Å; C123-Y125 PolarHBondContact O-N 3.11Å; C123-Y125 PolarHBondContact SG-N 3.33Å; C123-Y125 VanDerWaalsContact SG-N 3.39Å; C123-C126 VanDerWaalsContact SG-SG 3.67Å; C123-K127 WeakPolarHBondContact O-CA 3.28Å; C123-K127 PolarHBondContact O-N 3.14Å; C123-G128 PolarHBondContact N-O 2.88Å; C123-H130 WeakPolarHBondContact CA-O 3.36Å; C123-H130 WeakPolarHBondContact CB-NE2 3.49Å; C123-H130 WeakPolarHBondContact CB-O 3.35Å; C123-H130 PolarHBondContact N-O 3Å; C123-H130 PolarHBondContact SG-NE2 2.96Å; C123-H130 VanDerWaalsContact SG-NE2 3.44Å; C123-C135 VanDerWaalsContact SG-SG 3.67Å | ||
| 124 | N | 81.2 | Confident | 73.3 | Confident | 140 Ų | 140 | 100.9 Ų | 100.9 | 75% | 0.749 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.1 | 179.6 | -75.4 | -4.8 | 0 | 0 | 0 | 114 | V122 T132 | V122-N124 PolarHBondContact O-N 3.01Å; N124-T132 HydrophobicContact CB-CG2 3.92Å; N124-T132 PolarHBondContact N-OG1 3.47Å |
| 125 | Y | 80.3 | Confident | 74.4 | Confident | 85 Ų | 85 | 96.2 Ų | 96.2 | 33% | 0.333 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -50.3 | -179.5 | -63.5 | -71.2 | 0 | 0 | 0 | 113.6 | C123 T132 C135 K138 M141 | C123-Y125 VanDerWaalsContact C-N 3.27Å; C123-Y125 PolarHBondContact O-N 3.11Å; C123-Y125 PolarHBondContact SG-N 3.33Å; C123-Y125 VanDerWaalsContact SG-N 3.39Å; Y125-T132 HydrophobicContact CD2-CG2 3.53Å; Y125-T132 HydrophobicContact CE2-CG2 3.36Å; Y125-C135 HydrophobicContact CD2-CB 4.27Å; Y125-K138 HydrophobicContact CE2-CG 4.46Å; Y125-M141 HydrophobicContact CD1-CB 4.36Å |
| 126 | C | 78.1 | Confident | 75.6 | Confident | 45 Ų | 45 | 91.7 Ų | 91.7 | 30% | 0.304 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 1.8 | -171.9 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | C123 G128 H130 C135 Y137 | C123-C126 VanDerWaalsContact SG-SG 3.67Å; C126-G128 PolarHBondContact O-N 3.04Å; C126-G128 VanDerWaalsContact O-N 3.09Å; C126-H130 PolarHBondContact SG-CE1 2.69Å; C126-H130 PolarHBondContact SG-NE2 3.1Å; C126-C135 VanDerWaalsContact SG-SG 3.63Å; C126-Y137 HydrophobicContact CB-CD2 3.84Å |
| 127 | K | 78.4 | Confident | 76.7 | Confident | 178 Ų | 178 | 91.6 Ų | 91.6 | 77% | 0.774 | 50% | 0.502 | S | S | * | . | trans | 57 | 18 | -176.1 | -55.8 | -179.2 | -178.5 | -179.9 | 0 | 115.4 | V122 C123 | V122-K127 HydrophobicContact CG1-CB 4.02Å; C123-K127 WeakPolarHBondContact O-CA 3.28Å; C123-K127 PolarHBondContact O-N 3.14Å | ||
| 128 | G | 78.5 | Confident | 77.9 | Confident | 24 Ų | 24 | 92.8 Ų | 92.8 | 25% | 0.247 | 49% | 0.489 | C | S | . | . | trans | -80.2 | 165.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V122 C123 C126 H130 | V122-G128 WeakPolarHBondContact CA-O 3.37Å; C123-G128 PolarHBondContact N-O 2.88Å; C126-G128 PolarHBondContact O-N 3.04Å; C126-G128 VanDerWaalsContact O-N 3.09Å; G128-H130 VanDerWaalsContact C-N 3.25Å; G128-H130 PolarHBondContact O-N 3.48Å | ||
| 129 | G | 82.1 | Confident | 78.9 | Confident | 79 Ų | 79 | 89.6 Ų | 89.6 | 81% | 0.814 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -76 | 56.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I121 | I121-G129 CarbonylContact O-C 3.59Å; I121-G129 WeakPolarHBondContact O-CA 3.49Å |
| 130 | H | 83.5 | Confident | 80 | Confident | 49 Ų | 49 | 89.1 Ų | 89.1 | 23% | 0.227 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -147.6 | 161.8 | 176.8 | 55 | -92.6 | 0 | 0 | 0 | 111.9 | C123 C126 G128 C135 | C123-H130 WeakPolarHBondContact CA-O 3.36Å; C123-H130 WeakPolarHBondContact CB-NE2 3.49Å; C123-H130 WeakPolarHBondContact CB-O 3.35Å; C123-H130 PolarHBondContact N-O 3Å; C123-H130 PolarHBondContact SG-NE2 2.96Å; C123-H130 VanDerWaalsContact SG-NE2 3.44Å; C126-H130 PolarHBondContact SG-CE1 2.69Å; C126-H130 PolarHBondContact SG-NE2 3.1Å; G128-H130 VanDerWaalsContact C-N 3.25Å; G128-H130 PolarHBondContact O-N 3.48Å; H130-C135 WeakPolarHBondContact NE2-CA 3.44Å |
| 131 | F | 82.3 | Confident | 80.3 | Confident | 134 Ų | 134 | 86.9 Ų | 86.9 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | trans | -64.8 | 137 | 174.2 | -69.4 | -79.8 | 0 | 0 | 0 | 111.1 | I121 R133 T134 | I121-F131 HydrophobicContact CD1-CE1 3.82Å; I121-F131 HydrophobicContact CD1-CE2 4Å; I121-F131 HydrophobicContact CD1-CZ 3.46Å; I121-F131 VanDerWaalsContact CD1-CZ 3.46Å; I121-F131 HydrophobicContact CG1-CE1 4.35Å; I121-F131 HydrophobicContact CG1-CZ 4.45Å; I121-F131 HydrophobicContact CG2-CD1 3.9Å; I121-F131 HydrophobicContact CG2-CE1 4.1Å; I121-F131 HydrophobicContact CG2-CG 4.18Å; F131-R133 PolarHBondContact O-N 2.81Å; F131-T134 PolarHBondContact O-N 2.89Å | ||
| 132 | T | 84.5 | Confident | 80.7 | Confident | 42 Ų | 42 | 88 Ų | 88 | 26% | 0.258 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -50 | -26.8 | 178.7 | -53.1 | 0 | 0 | 0 | 0 | 114.1 | N124 Y125 T134 | N124-T132 HydrophobicContact CB-CG2 3.92Å; N124-T132 PolarHBondContact N-OG1 3.47Å; Y125-T132 HydrophobicContact CD2-CG2 3.53Å; Y125-T132 HydrophobicContact CE2-CG2 3.36Å; T132-T134 VanDerWaalsContact C-N 3.35Å |
| 133 | R | 83.9 | Confident | 80.7 | Confident | 236 Ų | 236 | 86.7 Ų | 86.7 | 89% | 0.891 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -73.3 | -23.2 | 178.3 | -60.3 | -173.8 | 78.8 | -172.5 | 4.7 | 113.9 | F131 | F131-R133 PolarHBondContact O-N 2.81Š|
| 134 | T | 81 | Confident | 80.3 | Confident | 103 Ų | 103 | 92.6 Ų | 92.6 | 63% | 0.632 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -109.8 | 20.6 | -174.6 | -29.9 | 0 | 0 | 0 | 0 | 111.5 | F131 T132 P136 | F131-T134 PolarHBondContact O-N 2.89Å; T132-T134 VanDerWaalsContact C-N 3.35Å; T134-P136 WeakPolarHBondContact O-CD 3.4Å |
| 135 | C | 83.2 | Confident | 80 | Confident | 12 Ų | 12 | 91.2 Ų | 91.2 | 8% | 0.081 | 48% | 0.477 | C | S | . | . | trans | -65.3 | 121.1 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | C123 Y125 C126 H130 Y137 K138 | C123-C135 VanDerWaalsContact SG-SG 3.67Å; Y125-C135 HydrophobicContact CD2-CB 4.27Å; C126-C135 VanDerWaalsContact SG-SG 3.63Å; H130-C135 WeakPolarHBondContact NE2-CA 3.44Å; C135-Y137 PolarHBondContact O-N 2.96Å; C135-Y137 PolarHBondContact SG-N 3.39Å; C135-K138 HydrophobicContact CB-CB 4.32Å; C135-K138 PolarHBondContact O-N 3.24Å | ||
| 136 | P | 84.8 | Confident | 80 | Confident | 92 Ų | 92 | 92.2 Ų | 92.2 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.9 | 176 | -21.9 | 32.5 | 0 | 0 | 0 | 113 | T134 | T134-P136 WeakPolarHBondContact O-CD 3.4Š|
| 137 | Y | 81.3 | Confident | 80 | Confident | 131 Ų | 131 | 94.9 Ų | 94.9 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 13.9 | -174.9 | -53.5 | -71.7 | 0 | 0 | 0 | 113.7 | C126 C135 S139 D140 M141 | C126-Y137 HydrophobicContact CB-CD2 3.84Å; C135-Y137 PolarHBondContact O-N 2.96Å; C135-Y137 PolarHBondContact SG-N 3.39Å; Y137-S139 VanDerWaalsContact C-N 3.32Å; Y137-S139 PolarHBondContact O-N 3.41Å; Y137-D140 PolarHBondContact O-N 3.45Å; Y137-M141 VanDerWaalsContact O-CG 3.28Å; Y137-M141 WeakPolarHBondContact O-CG 3.27Å; Y137-M141 PolarHBondContact O-N 2.84Å |
| 138 | K | 81 | Confident | 79.7 | Confident | 88 Ų | 88 | 91.3 Ų | 91.3 | 38% | 0.383 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | -174.6 | -174.3 | 179 | 172.3 | -168.8 | 0 | 112.1 | Y125 C135 E142 | Y125-K138 HydrophobicContact CE2-CG 4.46Å; C135-K138 HydrophobicContact CB-CB 4.32Å; C135-K138 PolarHBondContact O-N 3.24Å; K138-E142 WeakPolarHBondContact CE-OE1 3.37Å; K138-E142 IonicContact NZ-OE1 3.9Å; K138-E142 WeakPolarHBondContact O-CG 3.42Å; K138-E142 PolarHBondContact O-N 3.4Å; K138-E142 VanDerWaalsContact O-N 3.11Å |
| 139 | S | 79.2 | Confident | 79.6 | Confident | 73 Ų | 73 | 95.5 Ų | 95.5 | 51% | 0.51 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | Y137 A143 | Y137-S139 VanDerWaalsContact C-N 3.32Å; Y137-S139 PolarHBondContact O-N 3.41Å; S139-A143 WeakPolarHBondContact O-CB 3.43Å; S139-A143 PolarHBondContact O-N 2.96Å |
| 140 | D | 79.1 | Confident | 79.1 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73 | -37.6 | -174.3 | -62.8 | -0.2 | 0 | 0 | 0 | 110.6 | Y137 A143 M144 | Y137-D140 PolarHBondContact O-N 3.45Å; D140-A143 PolarHBondContact O-N 3.27Å; D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 3.42Å |
| 141 | M | 72.6 | Confident | 78.2 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73 | -35.5 | 177.8 | -62.5 | -60.4 | -69.2 | 0 | 0 | 112.2 | Y125 Y137 A143 M144 Q145 | Y125-M141 HydrophobicContact CD1-CB 4.36Å; Y137-M141 VanDerWaalsContact O-CG 3.28Å; Y137-M141 WeakPolarHBondContact O-CG 3.27Å; Y137-M141 PolarHBondContact O-N 2.84Å; M141-A143 VanDerWaalsContact C-N 3.34Å; M141-M144 PolarHBondContact O-N 2.98Å; M141-M144 HydrophobicContact SD-SD 4.34Å; M141-Q145 PolarHBondContact O-N 3.37Å |
| 142 | E | 79.2 | Confident | 77.3 | Confident | 86 Ų | 86 | 102.5 Ų | 102.5 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 171.6 | -78.6 | 175 | -179.1 | 0 | 0 | 111.2 | K138 Q145 L146 | K138-E142 WeakPolarHBondContact CE-OE1 3.37Å; K138-E142 IonicContact NZ-OE1 3.9Å; K138-E142 WeakPolarHBondContact O-CG 3.42Å; K138-E142 PolarHBondContact O-N 3.4Å; K138-E142 VanDerWaalsContact O-N 3.11Å; E142-Q145 PolarHBondContact O-N 3.02Å; E142-L146 WeakPolarHBondContact O-CG 3.42Å; E142-L146 PolarHBondContact O-N 3.15Å; E142-L146 VanDerWaalsContact O-N 3.09Å |
| 143 | A | 77.7 | Confident | 76 | Confident | 58 Ų | 58 | 104.2 Ų | 104.2 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S139 D140 M141 L147 | S139-A143 WeakPolarHBondContact O-CB 3.43Å; S139-A143 PolarHBondContact O-N 2.96Å; D140-A143 PolarHBondContact O-N 3.27Å; M141-A143 VanDerWaalsContact C-N 3.34Å; A143-L147 PolarHBondContact O-N 2.92Å; A143-L147 VanDerWaalsContact O-N 3.08Å |
| 144 | M | 73.7 | Confident | 74.7 | Confident | 123 Ų | 123 | 101.9 Ų | 101.9 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -37.5 | 175.3 | -73.5 | -173.2 | 71.2 | 0 | 0 | 112.5 | D140 M141 L147 Q148 | D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 3.42Å; M141-M144 PolarHBondContact O-N 2.98Å; M141-M144 HydrophobicContact SD-SD 4.34Å; M144-L147 PolarHBondContact O-N 3.49Å; M144-Q148 WeakPolarHBondContact O-CB 3.48Å; M144-Q148 PolarHBondContact O-N 3.2Å |
| 145 | Q | 76.5 | Confident | 72.9 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 179.1 | -168.2 | 165.6 | 6.5 | 0 | 0 | 111.7 | M141 E142 L147 Q148 E149 | M141-Q145 PolarHBondContact O-N 3.37Å; E142-Q145 PolarHBondContact O-N 3.02Å; Q145-L147 VanDerWaalsContact C-N 3.35Å; Q145-L147 PolarHBondContact O-N 3.47Å; Q145-Q148 PolarHBondContact O-N 3.48Å; Q145-E149 PolarHBondContact O-N 2.78Å |
| 146 | L | 79.4 | Confident | 70.7 | Confident | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -39.8 | 173.2 | -74.3 | 168.6 | 0 | 0 | 0 | 112.1 | E142 Q148 E149 Q150 | E142-L146 WeakPolarHBondContact O-CG 3.42Å; E142-L146 PolarHBondContact O-N 3.15Å; E142-L146 VanDerWaalsContact O-N 3.09Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.03Å; L146-E149 PolarHBondContact O-N 3.41Å; L146-Q150 WeakPolarHBondContact O-CG 3.44Å; L146-Q150 PolarHBondContact O-N 3.04Å |
| 147 | L | 77.1 | Confident | 68.7 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.7 | -39.3 | 175.4 | -156.5 | 84.7 | 0 | 0 | 0 | 111.2 | A143 M144 Q145 Q150 L151 | A143-L147 PolarHBondContact O-N 2.92Å; A143-L147 VanDerWaalsContact O-N 3.08Å; M144-L147 PolarHBondContact O-N 3.49Å; Q145-L147 VanDerWaalsContact C-N 3.35Å; Q145-L147 PolarHBondContact O-N 3.47Å; L147-Q150 PolarHBondContact O-N 3.34Å; L147-L151 HydrophobicContact CG-CD1 4.46Å; L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.38Å; L147-L151 PolarHBondContact O-N 3.06Å |
| 148 | Q | 74.1 | Confident | 66.6 | Low | 102 Ų | 102 | 111.2 Ų | 111.2 | 48% | 0.477 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.7 | -37.1 | 177.3 | -169.1 | 170 | 12.8 | 0 | 0 | 112.2 | M144 Q145 L146 L151 R152 | M144-Q148 WeakPolarHBondContact O-CB 3.48Å; M144-Q148 PolarHBondContact O-N 3.2Å; Q145-Q148 PolarHBondContact O-N 3.48Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.03Å; Q148-L151 PolarHBondContact O-N 2.65Å; Q148-R152 WeakPolarHBondContact O-CB 3.33Å; Q148-R152 VanDerWaalsContact O-CG 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.46Å; Q148-R152 PolarHBondContact O-N 3.04Å |
| 149 | E | 76.1 | Confident | 64.5 | Low | 112 Ų | 112 | 115.5 Ų | 115.5 | 52% | 0.523 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.8 | -41.4 | 172.2 | -82 | 178.3 | 168.3 | 0 | 0 | 112.3 | Q145 L146 L151 R152 A153 | Q145-E149 PolarHBondContact O-N 2.78Å; L146-E149 PolarHBondContact O-N 3.41Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.47Å; E149-R152 PolarHBondContact O-N 2.64Å; E149-A153 WeakPolarHBondContact O-CB 3.23Å; E149-A153 PolarHBondContact O-N 3.33Å |
| 150 | Q | 71.2 | Confident | 62.5 | Low | 129 Ų | 129 | 120.7 Ų | 120.7 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64 | -34 | 174.9 | -74 | -178.3 | -5.8 | 0 | 0 | 112.9 | L146 L147 | L146-Q150 WeakPolarHBondContact O-CG 3.44Å; L146-Q150 PolarHBondContact O-N 3.04Å; L147-Q150 PolarHBondContact O-N 3.34Å |
| 151 | L | 64.9 | Low | 60.2 | Low | 111 Ų | 111 | 122 Ų | 122 | 58% | 0.581 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.9 | -38.4 | 174.8 | -71.1 | 166.9 | 0 | 0 | 0 | 111.7 | L147 Q148 E149 K154 T155 | L147-L151 HydrophobicContact CG-CD1 4.46Å; L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.38Å; L147-L151 PolarHBondContact O-N 3.06Å; Q148-L151 PolarHBondContact O-N 2.65Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.47Å; L151-K154 PolarHBondContact O-N 3.08Å; L151-T155 PolarHBondContact O-OG1 3.26Å |
| 152 | R | 63 | Low | 58.5 | Low | 170 Ų | 170 | 125.3 Ų | 125.3 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.4 | -35 | 173.9 | -77.3 | 176 | 174.7 | -179.5 | -0.6 | 112.5 | Q148 E149 K154 T155 | Q148-R152 WeakPolarHBondContact O-CB 3.33Å; Q148-R152 VanDerWaalsContact O-CG 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.46Å; Q148-R152 PolarHBondContact O-N 3.04Å; E149-R152 PolarHBondContact O-N 2.64Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 3.49Å; R152-T155 PolarHBondContact O-N 2.78Å; R152-T155 PolarHBondContact O-OG1 3.33Å |
| 153 | A | 57.1 | Low | 56.5 | Low | 78 Ų | 78 | 129.9 Ų | 129.9 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -11.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | E149 | E149-A153 WeakPolarHBondContact O-CB 3.23Å; E149-A153 PolarHBondContact O-N 3.33Å |
| 154 | K | 56.6 | Low | 54.2 | Low | 187 Ų | 187 | 134.1 Ų | 134.1 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -0.2 | 175.3 | -80.9 | -178.5 | 177 | 177.5 | 0 | 114.1 | L151 R152 | L151-K154 PolarHBondContact O-N 3.08Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 3.49Å |
| 155 | T | 42.3 | Very low | 52.7 | Low | 98 Ų | 98 | 135.9 Ų | 135.9 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | trans | -123.1 | 82.5 | 171.2 | 52.9 | 0 | 0 | 0 | 0 | 107.2 | L151 R152 P157 | L151-T155 PolarHBondContact O-OG1 3.26Å; R152-T155 PolarHBondContact O-N 2.78Å; R152-T155 PolarHBondContact O-OG1 3.33Å; T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.43Å | ||
| 156 | E | 38.6 | Very low | 50.7 | Low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -76 | 116.5 | 162.8 | -72.5 | -159 | 157.8 | 0 | 0 | 108.3 | ||||
| 157 | P | 43 | Very low | 48.7 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | trans | -94.3 | 133.6 | 164.7 | 28.7 | -12.1 | 0 | 0 | 0 | 108.8 | T155 E159 | T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.43Å; P157-E159 PolarHBondContact O-N 3.3Å | ||
| 158 | T | 35.8 | Very low | 46.8 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 90% | 0.896 | 73% | 0.73 | S | S | * | * | trans | -57.7 | 106.1 | 163.2 | 36.8 | 0 | 0 | 0 | 0 | 109.6 | E160 | T158-E160 PolarHBondContact O-N 3.36Š| ||
| 159 | E | 37.2 | Very low | 45.4 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | -77.8 | 108.4 | 167.6 | -71 | -175.7 | 156.6 | 0 | 0 | 109.3 | P157 | P157-E159 PolarHBondContact O-N 3.3Š| ||
| 160 | E | 36.4 | Very low | 43.7 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -104.6 | 100.8 | 155.1 | -76.7 | -169.5 | 171.3 | 0 | 0 | 109 | T158 T162 | T158-E160 PolarHBondContact O-N 3.36Å; E160-T162 PolarHBondContact O-N 3.36Å | ||
| 161 | T | 31 | Very low | 42.9 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -46.8 | 118 | 161.5 | 38.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 162 | T | 37.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -119 | 119.2 | 151.8 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | E160 | E160-T162 PolarHBondContact O-N 3.36Š| ||
| 163 | K | 36.5 | Very low | 43.3 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 150.9 | -174.2 | -69.4 | 167.3 | 173.4 | 172.4 | 0 | 111.2 | ||||
| 164 | D | 31.1 | Very low | 43.7 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -21.7 | 123.3 | 160.6 | -58.5 | -77.4 | 0 | 0 | 0 | 115.6 | ||||
| 165 | L | 41.4 | Very low | 43.6 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -125.2 | 85.4 | 154.9 | -82.4 | 163.6 | 0 | 0 | 0 | 108.5 | N167 | L165-N167 PolarHBondContact O-N 3.38Š| ||
| 166 | Q | 35.5 | Very low | 44.7 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -57.3 | 115.7 | 151.2 | -69.5 | 170.5 | -24.3 | 0 | 0 | 107.3 | ||||
| 167 | N | 37.3 | Very low | 45.8 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | trans | -129.3 | 89.4 | 172 | -152.1 | -1.9 | 0 | 0 | 0 | 109 | L165 R169 | L165-N167 PolarHBondContact O-N 3.38Å; N167-R169 PolarHBondContact O-N 2.87Å | ||
| 168 | D | 35.6 | Very low | 46.9 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -50 | 97.4 | 156 | -78.9 | -57.2 | 0 | 0 | 0 | 110 | ||||
| 169 | R | 45.9 | Very low | 48.3 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -133.8 | 87.5 | 166.7 | -72.1 | -168 | 171.7 | -169 | -4.8 | 111.3 | N167 G171 | N167-R169 PolarHBondContact O-N 2.87Å; R169-G171 PolarHBondContact O-N 3.25Å | ||
| 170 | S | 41 | Very low | 49 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -16.8 | 116.1 | 150.9 | 47.7 | 0 | 0 | 0 | 0 | 116 | R172 | S170-R172 PolarHBondContact O-N 2.89Š| ||
| 171 | G | 54.3 | Low | 49.7 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 91% | 0.907 | 74% | 0.741 | S | S | * | * | 58.8 | 29.8 | 128.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | R169 | R169-G171 PolarHBondContact O-N 3.25Š| |||
| 172 | R | 63.5 | Low | 50.6 | Low | 230 Ų | 230 | 137.8 Ų | 137.8 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 125.7 | 171.8 | -142.6 | 90 | -164.8 | -156.5 | 8.7 | 111.2 | S170 I174 | S170-R172 PolarHBondContact O-N 2.89Å; R172-I174 PolarHBondContact O-N 3.49Å |
| 173 | Y | 71.5 | Confident | 51.1 | Low | 181 Ų | 181 | 134.6 Ų | 134.6 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.4 | 176.1 | 175 | -100.3 | 0 | 0 | 0 | 111.7 | P175 | Y173-P175 HydrophobicContact CE1-CB 4.35Š|
| 174 | I | 65.7 | Low | 51.5 | Low | 97 Ų | 97 | 133.1 Ų | 133.1 | 50% | 0.497 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -95 | 120.3 | 173.2 | -59.4 | 171.7 | 0 | 0 | 0 | 107.8 | R172 L178 R179 | R172-I174 PolarHBondContact O-N 3.49Å; I174-L178 HydrophobicContact CG2-CB 4.15Å; I174-R179 HydrophobicContact CG2-CG 4.44Å |
| 175 | P | 55.3 | Low | 52.3 | Low | 57 Ų | 57 | 132.7 Ų | 132.7 | 37% | 0.37 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 150.2 | -178.9 | 25.2 | -32.9 | 0 | 0 | 0 | 112.3 | Y173 S177 L178 | Y173-P175 HydrophobicContact CE1-CB 4.35Å; P175-S177 PolarHBondContact O-N 3.4Å; P175-L178 HydrophobicContact CG-CD1 4.31Å; P175-L178 PolarHBondContact O-N 2.96Å |
| 176 | P | 64.8 | Low | 52.3 | Low | 102 Ų | 102 | 130.8 Ų | 130.8 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -58.2 | -24.3 | -168.2 | -27.8 | 36.3 | 0 | 0 | 0 | 116 | L178 | P176-L178 VanDerWaalsContact C-N 3.29Å; P176-L178 PolarHBondContact O-N 3.41Å |
| 177 | S | 62.4 | Low | 52.6 | Low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -74.5 | -14.9 | 179.7 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | P175 | P175-S177 PolarHBondContact O-N 3.4Š|
| 178 | L | 64.9 | Low | 52.7 | Low | 133 Ų | 133 | 126.2 Ų | 126.2 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -114.5 | 6.3 | -175.6 | -74.2 | 166.9 | 0 | 0 | 0 | 113.2 | I174 P175 P176 G180 | I174-L178 HydrophobicContact CG2-CB 4.15Å; P175-L178 HydrophobicContact CG-CD1 4.31Å; P175-L178 PolarHBondContact O-N 2.96Å; P176-L178 VanDerWaalsContact C-N 3.29Å; P176-L178 PolarHBondContact O-N 3.41Å; L178-G180 PolarHBondContact O-N 3.43Å; L178-G180 VanDerWaalsContact O-N 3.16Å |
| 179 | R | 65.8 | Low | 52.6 | Low | 166 Ų | 166 | 123.2 Ų | 123.2 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -77.5 | 97.9 | 166.4 | -88 | -176.3 | 178.2 | -175.9 | -1.5 | 108.1 | I174 D181 | I174-R179 HydrophobicContact CG2-CG 4.44Å; R179-D181 PolarHBondContact O-N 2.81Å |
| 180 | G | 52.3 | Low | 52.4 | Low | 59 Ų | 59 | 121.1 Ų | 121.1 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -49.1 | 115.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L178 A182 | L178-G180 PolarHBondContact O-N 3.43Å; L178-G180 VanDerWaalsContact O-N 3.16Å; G180-A182 WeakPolarHBondContact O-CB 3.24Å; G180-A182 PolarHBondContact O-N 3.32Å | ||
| 181 | D | 49.6 | Very low | 52.5 | Low | 174 Ų | 174 | 119.5 Ų | 119.5 | 93% | 0.93 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 42.2 | 15 | 153.9 | -54 | -42.3 | 0 | 0 | 0 | 120.7 | R179 | R179-D181 PolarHBondContact O-N 2.81Š|
| 182 | A | 51 | Low | 52.3 | Low | 91 Ų | 91 | 121.7 Ų | 121.7 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | -107.8 | 8.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G180 | G180-A182 WeakPolarHBondContact O-CB 3.24Å; G180-A182 PolarHBondContact O-N 3.32Å | ||
| 183 | A | 47 | Very low | 51.7 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -128.7 | 17.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 184 | N | 46.4 | Very low | 50.8 | Low | 149 Ų | 149 | 117.9 Ų | 117.9 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -120 | 54 | -176.9 | -153.9 | 21.2 | 0 | 0 | 0 | 113.8 | ||||
| 185 | T | 47.3 | Very low | 50.5 | Low | 138 Ų | 138 | 120.9 Ų | 120.9 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | trans | -127 | 53.9 | 172.7 | 22.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 186 | T | 41.6 | Very low | 50.8 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -129.5 | 98 | 163.9 | 49 | 0 | 0 | 0 | 0 | 109.4 | ||
| 187 | G | 41.5 | Very low | 50.8 | Low | 81 Ų | 81 | 120.8 Ų | 120.8 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 59.4 | 64 | 147.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 188 | S | 38.6 | Very low | 51.2 | Low | 115 Ų | 115 | 119.1 Ų | 119.1 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -144.9 | 133.8 | 158.1 | -65.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 189 | S | 33.7 | Very low | 51.9 | Low | 98 Ų | 98 | 121.1 Ų | 121.1 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | trans | -27.3 | 157.5 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 190 | M | 42.5 | Very low | 53 | Low | 163 Ų | 163 | 114.3 Ų | 114.3 | 80% | 0.803 | 68% | 0.679 | S | S | * | * | trans | 142.1 | 106.5 | 142.3 | -68.4 | -96.6 | 176.6 | 0 | 0 | 108.4 | ||||
| 191 | S | 41.9 | Very low | 54.9 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 57% | 0.573 | 66% | 0.655 | S | S | * | * | 78.5 | 110.3 | 115.5 | -75.7 | 0 | 0 | 0 | 0 | 113.1 | D193 | S191-D193 PolarHBondContact O-N 2.83Š| |||
| 192 | T | 51.3 | Low | 56.9 | Low | 134 Ų | 134 | 104 Ų | 104 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | 11.8 | 32.4 | 129.8 | 16.3 | 0 | 0 | 0 | 0 | 120.8 | K194 | T192-K194 PolarHBondContact O-N 3.28Å; T192-K194 VanDerWaalsContact O-N 3.11Å | |||
| 193 | D | 50.4 | Low | 59 | Low | 141 Ų | 141 | 104.4 Ų | 104.4 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | trans | -75.4 | 104.3 | 165.1 | -76.8 | -48.5 | 0 | 0 | 0 | 107.2 | S191 R195 | S191-D193 PolarHBondContact O-N 2.83Å; D193-R195 PolarHBondContact O-N 2.97Å; D193-R195 VanDerWaalsContact O-N 3.1Å | ||
| 194 | K | 53.5 | Low | 61.2 | Low | 191 Ų | 191 | 100.9 Ų | 100.9 | 83% | 0.83 | 56% | 0.563 | S | S | * | * | trans | -27.2 | 114.1 | 175.6 | -63 | -177.5 | 176.8 | -166.8 | 0 | 109.9 | T192 P196 | T192-K194 PolarHBondContact O-N 3.28Å; T192-K194 VanDerWaalsContact O-N 3.11Å; K194-P196 WeakPolarHBondContact O-CD 3.43Å; K194-P196 VanDerWaalsContact O-N 3.08Å | ||
| 195 | R | 59.2 | Low | 63.4 | Low | 160 Ų | 160 | 95.4 Ų | 95.4 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | trans | -60.9 | 123.8 | 176 | -65.8 | 176.9 | 172.2 | -152.1 | -2.7 | 104.8 | D193 F197 D198 | D193-R195 PolarHBondContact O-N 2.97Å; D193-R195 VanDerWaalsContact O-N 3.1Å; R195-F197 PolarHBondContact O-N 3.07Å; R195-D198 PolarHBondContact N-OD2 3.26Å; R195-D198 PolarHBondContact O-N 2.83Å | ||
| 196 | P | 60.5 | Low | 65.6 | Low | 109 Ų | 109 | 93.1 Ų | 93.1 | 71% | 0.708 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 6.5 | -168.8 | 20.8 | -31.7 | 0 | 0 | 0 | 114.5 | K194 | K194-P196 WeakPolarHBondContact O-CD 3.43Å; K194-P196 VanDerWaalsContact O-N 3.08Å |
| 197 | F | 64.9 | Low | 68 | Low | 48 Ų | 48 | 88 Ų | 88 | 21% | 0.211 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 6.3 | -178.7 | -50.7 | -67.9 | 0 | 0 | 0 | 112.8 | R195 E199 N200 T201 M227 | R195-F197 PolarHBondContact O-N 3.07Å; F197-E199 PolarHBondContact O-N 3.41Å; F197-N200 CarbonylContact O-C 3.58Å; F197-N200 PolarHBondContact O-N 2.94Å; F197-T201 VanDerWaalsContact O-CG2 3.26Å; F197-T201 WeakPolarHBondContact O-CG2 3.32Å; F197-T201 PolarHBondContact O-N 2.99Å; F197-M227 HydrophobicContact CE1-CE 4.14Å; F197-M227 HydrophobicContact CE2-CE 4.29Å; F197-M227 HydrophobicContact CZ-CE 3.77Å |
| 198 | D | 70.9 | Confident | 70.2 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -60.3 | -33.4 | -179.1 | -77.7 | -19.4 | 0 | 0 | 0 | 111.7 | R195 N200 T201 | R195-D198 PolarHBondContact N-OD2 3.26Å; R195-D198 PolarHBondContact O-N 2.83Å; D198-N200 VanDerWaalsContact C-N 3.25Å; D198-N200 PolarHBondContact O-N 3.36Å; D198-T201 PolarHBondContact O-N 3.41Å; D198-T201 PolarHBondContact O-OG1 3.3Å |
| 199 | E | 79.2 | Confident | 72.5 | Confident | 175 Ų | 175 | 81.7 Ų | 81.7 | 82% | 0.818 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -67.2 | -25.4 | 175.1 | -64.2 | 179.3 | -176.9 | 0 | 0 | 113.2 | F197 | F197-E199 PolarHBondContact O-N 3.41Š|
| 200 | N | 89.7 | Confident | 75 | Confident | 24 Ų | 24 | 82.8 Ų | 82.8 | 13% | 0.128 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -103 | 21.3 | -178 | -56.2 | -12.1 | 0 | 0 | 0 | 111.6 | F197 D198 F248 R249 A251 | F197-N200 CarbonylContact O-C 3.58Å; F197-N200 PolarHBondContact O-N 2.94Å; D198-N200 VanDerWaalsContact C-N 3.25Å; D198-N200 PolarHBondContact O-N 3.36Å; N200-F248 WeakPolarHBondContact CB-O 3.35Å; N200-F248 PolarHBondContact O-N 2.9Å; N200-R249 PolarHBondContact ND2-O 2.78Å; N200-A251 WeakPolarHBondContact OD1-CB 3.33Å; N200-A251 PolarHBondContact OD1-N 3.13Å |
| 201 | T | 91.2 | Very high | 77.2 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.4 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | F197 D198 I246 S247 A276 | F197-T201 VanDerWaalsContact O-CG2 3.26Å; F197-T201 WeakPolarHBondContact O-CG2 3.32Å; F197-T201 PolarHBondContact O-N 2.99Å; D198-T201 PolarHBondContact O-N 3.41Å; D198-T201 PolarHBondContact O-OG1 3.3Å; T201-I246 WeakPolarHBondContact CA-O 3.28Å; T201-S247 WeakPolarHBondContact CG2-OG 3.39Å; T201-A276 VanDerWaalsContact O-CB 3.3Å; T201-A276 WeakPolarHBondContact O-CB 3.47Å; T201-A276 PolarHBondContact O-N 2.99Å; T201-A276 VanDerWaalsContact OG1-CB 3.25Å; T201-A276 WeakPolarHBondContact OG1-CB 3.45Å |
| 202 | V | 93.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.5 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | F245 I246 F248 A254 I258 V273 D274 | V202-F245 WeakPolarHBondContact O-CA 3.31Å; V202-I246 PolarHBondContact N-O 2.85Å; V202-I246 PolarHBondContact O-N 3.47Å; V202-F248 HydrophobicContact CB-CE2 4.2Å; V202-F248 HydrophobicContact CG2-CD2 3.86Å; V202-F248 HydrophobicContact CG2-CE2 3.78Å; V202-A254 HydrophobicContact CG2-CB 3.65Å; V202-I258 HydrophobicContact CG1-CG1 3.91Å; V202-I258 HydrophobicContact CG2-CD1 4.12Å; V202-I258 HydrophobicContact CG2-CG1 4.12Å; V202-V273 HydrophobicContact CG1-CG1 3.12Å; V202-D274 WeakPolarHBondContact CG1-O 3.37Å |
| 203 | R | 93.8 | Very high | 81.3 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 38% | 0.381 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.6 | 173.7 | -178.5 | -179.5 | 171.4 | 168 | -1.5 | 109.3 | T205 F245 D274 A276 | R203-T205 HydrophobicContact CG-CG2 4.13Å; R203-F245 HydrophobicContact CB-CD1 4.16Å; R203-F245 HydrophobicContact CB-CE1 4.02Å; R203-F245 HydrophobicContact CG-CD1 4.36Å; R203-F245 HydrophobicContact CG-CE1 3.94Å; R203-F245 HydrophobicContact CG-CZ 4.44Å; R203-D274 PolarHBondContact N-O 3.48Å; R203-D274 PolarHBondContact O-N 3.12Å; R203-A276 HydrophobicContact CB-CB 4.26Å |
| 204 | V | 93.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.4 | 173.2 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | L207 F220 F243 A244 I246 V273 | V204-L207 HydrophobicContact CB-CD1 3.9Å; V204-L207 HydrophobicContact CG1-CD1 3.68Å; V204-L207 HydrophobicContact CG1-CD2 4.23Å; V204-L207 HydrophobicContact CG1-CG 3.97Å; V204-F220 HydrophobicContact CB-CZ 4.49Å; V204-F220 HydrophobicContact CG1-CZ 4.34Å; V204-F220 HydrophobicContact CG2-CE1 4.21Å; V204-F220 HydrophobicContact CG2-CE2 3.74Å; V204-F220 HydrophobicContact CG2-CZ 3.33Å; V204-F243 CarbonylContact O-C 3.59Å; V204-F243 WeakPolarHBondContact O-CA 3.25Å; V204-F243 WeakPolarHBondContact O-CB 3.5Å; V204-A244 PolarHBondContact N-O 3.42Å; V204-A244 PolarHBondContact O-N 2.78Å; V204-I246 HydrophobicContact CG2-CD1 3.78Å; V204-I246 HydrophobicContact CG2-CG1 4.34Å; V204-V273 HydrophobicContact CG1-CG2 4.35Å; V204-V273 HydrophobicContact CG2-CG1 4.47Å; V204-V273 HydrophobicContact CG2-CG2 4.46Å |
| 205 | T | 93.2 | Very high | 85.1 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 159.9 | 179.5 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | R203 G242 F243 K272 | R203-T205 HydrophobicContact CG-CG2 4.13Å; T205-G242 CarbonylContact C-O 3.58Å; T205-F243 HydrophobicContact CG2-CB 4.42Å; T205-K272 PolarHBondContact N-O 3.03Å; T205-K272 PolarHBondContact O-N 3.39Å; T205-K272 VanDerWaalsContact O-N 3.11Å; T205-K272 WeakPolarHBondContact OG1-CB 3.34Å; T205-K272 PolarHBondContact OG1-O 3.4Å |
| 206 | N | 92.6 | Very high | 86.7 | Confident | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 67.6 | 43.5 | -177.8 | -154.2 | 26.5 | 0 | 0 | 0 | 112.7 | G242 V269 V270 | N206-G242 PolarHBondContact N-O 2.72Å; N206-V269 HydrophobicContact CB-CG1 4.12Å; N206-V269 WeakPolarHBondContact ND2-CG1 3.4Å; N206-V269 WeakPolarHBondContact O-CG1 3.41Å; N206-V269 WeakPolarHBondContact OD1-CG1 3.5Å; N206-V270 PolarHBondContact ND2-O 3.48Å |
| 207 | L | 91.4 | Very high | 88.2 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | trans | -84.3 | 138.7 | 175 | -76.3 | 134.5 | 0 | 0 | 0 | 111.2 | V204 T211 L216 G242 A244 L271 | V204-L207 HydrophobicContact CB-CD1 3.9Å; V204-L207 HydrophobicContact CG1-CD1 3.68Å; V204-L207 HydrophobicContact CG1-CD2 4.23Å; V204-L207 HydrophobicContact CG1-CG 3.97Å; L207-T211 HydrophobicContact CD2-CG2 3.79Å; L207-L216 HydrophobicContact CD2-CD1 4.29Å; L207-L216 HydrophobicContact CD2-CD2 3.36Å; L207-L216 HydrophobicContact CD2-CG 4.25Å; L207-G242 PolarHBondContact N-O 2.65Å; L207-G242 VanDerWaalsContact N-O 3.14Å; L207-G242 WeakPolarHBondContact O-CA 3.32Å; L207-A244 HydrophobicContact CD1-CB 3.73Å; L207-L271 HydrophobicContact CD2-CD2 4.29Å; L207-L271 HydrophobicContact CG-CD2 4.29Å | ||
| 208 | P | 89.1 | Confident | 89.5 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | trans | -54.6 | 149.8 | 167.6 | -17.4 | 23.9 | 0 | 0 | 0 | 112 | D210 T211 N267 V269 | P208-D210 PolarHBondContact O-N 3.07Å; P208-T211 VanDerWaalsContact CD-OG1 3.28Å; P208-T211 WeakPolarHBondContact CD-OG1 3.41Å; P208-T211 WeakPolarHBondContact CG-OG1 3.46Å; P208-T211 PolarHBondContact O-N 3.16Å; P208-N267 HydrophobicContact CG-CB 3.98Å; P208-V269 HydrophobicContact CG-CG2 4.45Å | ||
| 209 | P | 86.1 | Confident | 90.4 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.6 | 176.4 | 25.9 | -33.6 | 0 | 0 | 0 | 112.4 | N240 | P209-N240 PolarHBondContact O-N 3.2Š|
| 210 | D | 87.1 | Confident | 91.1 | Very high | 121 Ų | 121 | 47.2 Ų | 47.2 | 65% | 0.647 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -7.9 | -175.4 | -57.7 | -31.9 | 0 | 0 | 0 | 114.1 | P208 T212 | P208-D210 PolarHBondContact O-N 3.07Å; D210-T212 PolarHBondContact O-N 2.82Å |
| 211 | T | 88.3 | Confident | 91.2 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | trans | -65.5 | 125.8 | -172.9 | -66 | 0 | 0 | 0 | 0 | 112.5 | L207 P208 E215 L216 N240 | L207-T211 HydrophobicContact CD2-CG2 3.79Å; P208-T211 VanDerWaalsContact CD-OG1 3.28Å; P208-T211 WeakPolarHBondContact CD-OG1 3.41Å; P208-T211 WeakPolarHBondContact CG-OG1 3.46Å; P208-T211 PolarHBondContact O-N 3.16Å; T211-E215 WeakPolarHBondContact CA-OE2 3.43Å; T211-E215 HydrophobicContact CG2-CB 4.24Å; T211-L216 HydrophobicContact CG2-CD1 4.39Å; T211-L216 HydrophobicContact CG2-CD2 4.06Å; T211-L216 HydrophobicContact CG2-CG 3.86Å; T211-N240 PolarHBondContact O-ND2 3.24Å | ||
| 212 | T | 89.3 | Confident | 91.2 | Very high | 60 Ų | 60 | 53 Ų | 53 | 37% | 0.368 | 31% | 0.306 | S | S | . | . | trans | -87.7 | 162.2 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | D210 D214 E215 L216 | D210-T212 PolarHBondContact O-N 2.82Å; T212-D214 PolarHBondContact O-N 2.88Å; T212-E215 PolarHBondContact N-OE1 3.01Å; T212-E215 PolarHBondContact N-OE2 2.99Å; T212-E215 PolarHBondContact O-N 3.24Å; T212-E215 VanDerWaalsContact OG1-CD 3.31Å; T212-E215 WeakPolarHBondContact OG1-CG 3.47Å; T212-E215 PolarHBondContact OG1-N 2.87Å; T212-E215 PolarHBondContact OG1-OE1 3.49Å; T212-L216 PolarHBondContact O-N 3.2Å | ||
| 213 | A | 90.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 56.2 Ų | 56.2 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -30.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L216 K217 I229 P231 | A213-L216 PolarHBondContact O-N 3.39Å; A213-K217 PolarHBondContact O-N 2.8Å; A213-I229 HydrophobicContact CB-CG2 4.42Å; A213-P231 HydrophobicContact CB-CG 4.37Å |
| 214 | D | 92 | Very high | 91 | Very high | 125 Ų | 125 | 52.1 Ų | 52.1 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71.5 | -38 | 178.8 | -67.2 | -35.1 | 0 | 0 | 0 | 112 | T212 K217 S218 | T212-D214 PolarHBondContact O-N 2.88Å; D214-K217 WeakPolarHBondContact O-CB 3.5Å; D214-K217 PolarHBondContact O-N 3.07Å; D214-S218 PolarHBondContact O-N 3.43Å |
| 215 | E | 91.2 | Very high | 90.9 | Very high | 62 Ų | 62 | 57.3 Ų | 57.3 | 29% | 0.29 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 170.9 | -78.3 | 159.2 | -125.3 | 0 | 0 | 111.5 | T211 T212 K217 S218 V219 H266 | T211-E215 WeakPolarHBondContact CA-OE2 3.43Å; T211-E215 HydrophobicContact CG2-CB 4.24Å; T212-E215 PolarHBondContact N-OE1 3.01Å; T212-E215 PolarHBondContact N-OE2 2.99Å; T212-E215 PolarHBondContact O-N 3.24Å; T212-E215 VanDerWaalsContact OG1-CD 3.31Å; T212-E215 WeakPolarHBondContact OG1-CG 3.47Å; T212-E215 PolarHBondContact OG1-N 2.87Å; T212-E215 PolarHBondContact OG1-OE1 3.49Å; E215-K217 VanDerWaalsContact C-N 3.28Å; E215-K217 PolarHBondContact O-N 3.42Å; E215-S218 WeakPolarHBondContact O-CB 3.42Å; E215-S218 PolarHBondContact O-N 3.44Å; E215-S218 VanDerWaalsContact O-N 3.15Å; E215-V219 WeakPolarHBondContact O-CG2 3.49Å; E215-V219 PolarHBondContact O-N 2.85Å; E215-H266 IonicContact OE2-NE2 3.87Å |
| 216 | L | 91.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 175.7 | -68.8 | 171.6 | 0 | 0 | 0 | 111.1 | L207 T211 T212 A213 S218 V219 F220 I229 A244 I246 | L207-L216 HydrophobicContact CD2-CD1 4.29Å; L207-L216 HydrophobicContact CD2-CD2 3.36Å; L207-L216 HydrophobicContact CD2-CG 4.25Å; T211-L216 HydrophobicContact CG2-CD1 4.39Å; T211-L216 HydrophobicContact CG2-CD2 4.06Å; T211-L216 HydrophobicContact CG2-CG 3.86Å; T212-L216 PolarHBondContact O-N 3.2Å; A213-L216 PolarHBondContact O-N 3.39Å; L216-S218 VanDerWaalsContact C-N 3.31Å; L216-S218 PolarHBondContact O-N 2.92Å; L216-V219 PolarHBondContact O-N 3.02Å; L216-F220 HydrophobicContact CB-CD2 4.49Å; L216-F220 HydrophobicContact CD2-CD2 4.41Å; L216-F220 HydrophobicContact CD2-CE2 4.02Å; L216-F220 WeakPolarHBondContact O-CB 3.12Å; L216-F220 VanDerWaalsContact O-CD2 3.25Å; L216-F220 WeakPolarHBondContact O-CD2 3.49Å; L216-F220 PolarHBondContact O-N 3.44Å; L216-I229 HydrophobicContact CB-CG2 4.26Å; L216-I229 HydrophobicContact CD1-CG2 4.14Å; L216-A244 HydrophobicContact CD1-CB 3.78Å; L216-I246 HydrophobicContact CB-CD1 4.49Å |
| 217 | K | 93.1 | Very high | 90.8 | Very high | 116 Ų | 116 | 55.9 Ų | 55.9 | 50% | 0.504 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 176 | -165.5 | 176.4 | 179.1 | -178 | 0 | 111.3 | A213 D214 E215 S221 I229 | A213-K217 PolarHBondContact O-N 2.8Å; D214-K217 WeakPolarHBondContact O-CB 3.5Å; D214-K217 PolarHBondContact O-N 3.07Å; E215-K217 VanDerWaalsContact C-N 3.28Å; E215-K217 PolarHBondContact O-N 3.42Å; K217-S221 WeakPolarHBondContact O-CA 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.27Å; K217-S221 PolarHBondContact O-N 2.81Å; K217-I229 HydrophobicContact CB-CD1 3.49Å; K217-I229 VanDerWaalsContact CB-CD1 3.49Å; K217-I229 HydrophobicContact CG-CD1 3.95Å |
| 218 | S | 91.6 | Very high | 90.7 | Very high | 93 Ų | 93 | 61.8 Ų | 61.8 | 65% | 0.65 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.8 | -48.4 | 179.2 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | D214 E215 L216 | D214-S218 PolarHBondContact O-N 3.43Å; E215-S218 WeakPolarHBondContact O-CB 3.42Å; E215-S218 PolarHBondContact O-N 3.44Å; E215-S218 VanDerWaalsContact O-N 3.15Å; L216-S218 VanDerWaalsContact C-N 3.31Å; L216-S218 PolarHBondContact O-N 2.92Å |
| 219 | V | 90.7 | Very high | 90.9 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | -179.4 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | E215 L216 V261 L264 | E215-V219 WeakPolarHBondContact O-CG2 3.49Å; E215-V219 PolarHBondContact O-N 2.85Å; L216-V219 PolarHBondContact O-N 3.02Å; V219-V261 HydrophobicContact CG1-CG1 4.37Å; V219-V261 HydrophobicContact CG1-CG2 4.43Å; V219-L264 HydrophobicContact CG1-CD2 4.27Å |
| 220 | F | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -83.1 | -19.7 | -175.5 | -74.6 | -77.3 | 0 | 0 | 0 | 113.8 | V204 L216 A222 F223 V226 I246 F248 A257 V261 V273 | V204-F220 HydrophobicContact CB-CZ 4.49Å; V204-F220 HydrophobicContact CG1-CZ 4.34Å; V204-F220 HydrophobicContact CG2-CE1 4.21Å; V204-F220 HydrophobicContact CG2-CE2 3.74Å; V204-F220 HydrophobicContact CG2-CZ 3.33Å; L216-F220 HydrophobicContact CB-CD2 4.49Å; L216-F220 HydrophobicContact CD2-CD2 4.41Å; L216-F220 HydrophobicContact CD2-CE2 4.02Å; L216-F220 WeakPolarHBondContact O-CB 3.12Å; L216-F220 VanDerWaalsContact O-CD2 3.25Å; L216-F220 WeakPolarHBondContact O-CD2 3.49Å; L216-F220 PolarHBondContact O-N 3.44Å; F220-A222 PolarHBondContact O-N 2.97Å; F220-F223 PolarHBondContact O-N 2.82Å; F220-F223 VanDerWaalsContact O-N 3.15Å; F220-V226 HydrophobicContact CB-CG2 3.89Å; F220-I246 HydrophobicContact CB-CD1 4.41Å; F220-I246 HydrophobicContact CD1-CD1 4.19Å; F220-I246 HydrophobicContact CD2-CD1 3.12Å; F220-I246 HydrophobicContact CE1-CD1 4.26Å; F220-I246 HydrophobicContact CE2-CD1 3.25Å; F220-I246 HydrophobicContact CG-CD1 3.64Å; F220-I246 HydrophobicContact CZ-CD1 3.83Å; F220-F248 HydrophobicContact CB-CE1 4.44Å; F220-F248 HydrophobicContact CB-CZ 3.99Å; F220-F248 HydrophobicContact CD1-CE2 4.42Å; F220-F248 AromaticContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CG-CZ 4.25Å; F220-A257 HydrophobicContact CD1-CB 4.03Å; F220-A257 HydrophobicContact CE1-CB 4.3Å; F220-V261 HydrophobicContact CD1-CG2 4.29Å; F220-V261 HydrophobicContact CE1-CB 4.16Å; F220-V261 HydrophobicContact CE1-CG1 4.15Å; F220-V261 HydrophobicContact CE1-CG2 3.91Å; F220-V261 HydrophobicContact CZ-CB 4.41Å; F220-V261 HydrophobicContact CZ-CG1 3.91Å; F220-V261 HydrophobicContact CZ-CG2 4.44Å; F220-V273 HydrophobicContact CE1-CG1 4.43Å; F220-V273 HydrophobicContact CZ-CG2 4.28Å |
| 221 | S | 91.6 | Very high | 91.3 | Very high | 75 Ų | 75 | 63.4 Ų | 63.4 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.5 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 113.3 | K217 F223 | K217-S221 WeakPolarHBondContact O-CA 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.27Å; K217-S221 PolarHBondContact O-N 2.81Å; S221-F223 VanDerWaalsContact C-N 3.3Å |
| 222 | A | 91.3 | Very high | 91.4 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -24.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F220 | F220-A222 PolarHBondContact O-N 2.97Š|
| 223 | F | 92 | Very high | 91.4 | Very high | 68 Ų | 68 | 65.5 Ų | 65.5 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -18.8 | -175.3 | -59.3 | -81.2 | 0 | 0 | 0 | 113.6 | F220 S221 A257 V261 | F220-F223 PolarHBondContact O-N 2.82Å; F220-F223 VanDerWaalsContact O-N 3.15Å; S221-F223 VanDerWaalsContact C-N 3.3Å; F223-A257 HydrophobicContact CB-CB 3.8Å; F223-A257 HydrophobicContact CD2-CB 4.42Å; F223-A257 HydrophobicContact CG-CB 4.1Å; F223-V261 HydrophobicContact CD2-CG2 3.75Å; F223-V261 HydrophobicContact CE2-CG2 3.13Å; F223-V261 HydrophobicContact CZ-CG2 3.6Å |
| 224 | G | 90.9 | Very high | 91.3 | Very high | 16 Ų | 16 | 66.8 Ų | 66.8 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 173.8 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V226 | G224-V226 PolarHBondContact O-N 2.89Š|
| 225 | H | 91.6 | Very high | 90.9 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | trans | -86.2 | 108.9 | 178.6 | -170.8 | 69.3 | 0 | 0 | 0 | 110.5 | M227 R249 E253 | H225-M227 PolarHBondContact O-N 3.36Å; H225-R249 HydrophobicContact CB-CB 4.34Å; H225-R249 PolarHBondContact O-N 2.78Å; H225-R249 VanDerWaalsContact O-N 3.16Å; H225-E253 PolarHBondContact N-OE2 3.26Å | ||
| 226 | V | 92.7 | Very high | 90.7 | Very high | 19 Ų | 19 | 75.8 Ų | 75.8 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115.1 | 179.3 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | F220 G224 I229 I246 F248 | F220-V226 HydrophobicContact CB-CG2 3.89Å; G224-V226 PolarHBondContact O-N 2.89Å; V226-I229 HydrophobicContact CG1-CD1 3.88Å; V226-I229 HydrophobicContact CG1-CG1 3.42Å; V226-I229 VanDerWaalsContact CG1-CG1 3.42Å; V226-I246 HydrophobicContact CG1-CG2 3.65Å; V226-I246 HydrophobicContact CG2-CG2 4.32Å; V226-F248 HydrophobicContact CG2-CD1 4.4Å; V226-F248 HydrophobicContact CG2-CE1 3.84Å; V226-F248 HydrophobicContact CG2-CZ 4.37Å |
| 227 | M | 91.2 | Very high | 90.4 | Very high | 76 Ų | 76 | 79.2 Ų | 79.2 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -46.1 | -179.9 | -66.1 | -66.7 | -69.4 | 0 | 0 | 111.7 | F197 H225 S247 R249 | F197-M227 HydrophobicContact CE1-CE 4.14Å; F197-M227 HydrophobicContact CE2-CE 4.29Å; F197-M227 HydrophobicContact CZ-CE 3.77Å; H225-M227 PolarHBondContact O-N 3.36Å; M227-S247 WeakPolarHBondContact CB-O 3.49Å; M227-S247 PolarHBondContact N-O 3.24Å; M227-R249 HydrophobicContact CG-CB 4.09Å; M227-R249 HydrophobicContact SD-CB 4.17Å; M227-R249 HydrophobicContact SD-CG 4.41Å |
| 228 | R | 90.2 | Very high | 89.8 | Confident | 136 Ų | 136 | 80.9 Ų | 80.9 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 140.6 | -177.3 | -67.2 | -176.2 | 178.2 | 158.7 | -1.2 | 110.7 | I246 S247 | R228-I246 WeakPolarHBondContact O-CA 3.48Å; R228-S247 PolarHBondContact N-O 2.85Å; R228-S247 PolarHBondContact O-N 2.81Å |
| 229 | I | 92.8 | Very high | 89.4 | Confident | 44 Ų | 44 | 81.3 Ų | 81.3 | 23% | 0.226 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.4 | 174.2 | -54.7 | 174.9 | 0 | 0 | 0 | 107.2 | A213 L216 K217 V226 I246 | A213-I229 HydrophobicContact CB-CG2 4.42Å; L216-I229 HydrophobicContact CB-CG2 4.26Å; L216-I229 HydrophobicContact CD1-CG2 4.14Å; K217-I229 HydrophobicContact CB-CD1 3.49Å; K217-I229 VanDerWaalsContact CB-CD1 3.49Å; K217-I229 HydrophobicContact CG-CD1 3.95Å; V226-I229 HydrophobicContact CG1-CD1 3.88Å; V226-I229 HydrophobicContact CG1-CG1 3.42Å; V226-I229 VanDerWaalsContact CG1-CG1 3.42Å; I229-I246 HydrophobicContact CG2-CG1 4.49Å |
| 230 | Y | 91.1 | Very high | 89.1 | Confident | 153 Ų | 153 | 80.8 Ų | 80.8 | 60% | 0.6 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 91 | 176.6 | -173.8 | -97.8 | 0 | 0 | 0 | 109.4 | A244 F245 | Y230-A244 WeakPolarHBondContact O-CA 3.38Å; Y230-F245 HydrophobicContact CD1-CD2 4.18Å; Y230-F245 PolarHBondContact N-O 2.87Å; Y230-F245 PolarHBondContact O-N 3.09Å |
| 231 | P | 90.8 | Very high | 88.9 | Confident | 23 Ų | 23 | 88.6 Ų | 88.6 | 15% | 0.149 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.3 | 171 | 30 | -30.4 | 0 | 0 | 0 | 109 | A213 K233 | A213-P231 HydrophobicContact CB-CG 4.37Å; P231-K233 PolarHBondContact O-N 3.41Å; P231-K233 VanDerWaalsContact O-N 3.08Å |
| 232 | A | 89.9 | Confident | 88.9 | Confident | 6 Ų | 6 | 85.9 Ų | 85.9 | 5% | 0.05 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 100.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | R241 F243 | A232-R241 WeakPolarHBondContact O-CB 3.46Å; A232-R241 PolarHBondContact O-N 3.29Å; A232-F243 HydrophobicContact CB-CD1 4.23Å; A232-F243 HydrophobicContact CB-CD2 3.51Å; A232-F243 HydrophobicContact CB-CE1 3.9Å; A232-F243 HydrophobicContact CB-CE2 3.12Å; A232-F243 HydrophobicContact CB-CG 4.06Å; A232-F243 HydrophobicContact CB-CZ 3.34Å; A232-F243 WeakPolarHBondContact CB-O 3.48Å; A232-F243 PolarHBondContact N-O 2.8Å |
| 233 | K | 89.8 | Confident | 88.9 | Confident | 100 Ų | 100 | 84.1 Ų | 84.1 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.5 | 177.8 | -63.4 | -175.6 | 177.1 | -165.9 | 0 | 111 | P231 Q239 N240 | P231-K233 PolarHBondContact O-N 3.41Å; P231-K233 VanDerWaalsContact O-N 3.08Å; K233-Q239 CarbonylContact C-O 3.55Å; K233-Q239 VanDerWaalsContact CA-O 3.31Å; K233-Q239 WeakPolarHBondContact CA-O 3.48Å; K233-N240 WeakPolarHBondContact CG-OD1 3.29Å |
| 234 | D | 87.4 | Confident | 89 | Confident | 61 Ų | 61 | 81 Ų | 81 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | trans | -70.8 | 140.6 | 168.9 | 177.5 | 33.4 | 0 | 0 | 0 | 109.8 | L236 T237 Q238 Q239 R241 | D234-L236 VanDerWaalsContact C-N 3.31Å; D234-L236 PolarHBondContact O-N 3.28Å; D234-T237 WeakPolarHBondContact CB-OG1 3.47Å; D234-T237 PolarHBondContact OD2-N 3.04Å; D234-T237 PolarHBondContact OD2-OG1 3.2Å; D234-Q238 VanDerWaalsContact O-CA 3.25Å; D234-Q238 WeakPolarHBondContact O-CA 3.16Å; D234-Q238 PolarHBondContact O-N 3Å; D234-Q238 VanDerWaalsContact O-N 3.07Å; D234-Q239 PolarHBondContact N-O 2.62Å; D234-R241 HydrophobicContact CB-CG 4Å | ||
| 235 | K | 85.5 | Confident | 89.1 | Confident | 213 Ų | 213 | 83.2 Ų | 83.2 | 93% | 0.926 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -27.2 | -173.2 | -65.7 | -173.3 | 179.5 | -168.3 | 0 | 112.4 | ||
| 236 | L | 85.9 | Confident | 89.2 | Confident | 163 Ų | 163 | 78 Ų | 78 | 85% | 0.853 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -51.9 | -175.9 | -149.2 | 88.5 | 0 | 0 | 0 | 111.4 | D234 | D234-L236 VanDerWaalsContact C-N 3.31Å; D234-L236 PolarHBondContact O-N 3.28Å |
| 237 | T | 84.5 | Confident | 89.2 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -14.3 | -175.3 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | D234 Q239 | D234-T237 WeakPolarHBondContact CB-OG1 3.47Å; D234-T237 PolarHBondContact OD2-N 3.04Å; D234-T237 PolarHBondContact OD2-OG1 3.2Å; T237-Q239 PolarHBondContact O-N 3.3Å |
| 238 | Q | 81.2 | Confident | 89.3 | Confident | 151 Ų | 151 | 74.3 Ų | 74.3 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | trans | 58.8 | 6.1 | -173.6 | -146.1 | 177.9 | -9.9 | 0 | 0 | 114.6 | D234 | D234-Q238 VanDerWaalsContact O-CA 3.25Å; D234-Q238 WeakPolarHBondContact O-CA 3.16Å; D234-Q238 PolarHBondContact O-N 3Å; D234-Q238 VanDerWaalsContact O-N 3.07Å | ||
| 239 | Q | 83.6 | Confident | 89.4 | Confident | 103 Ų | 103 | 75.5 Ų | 75.5 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | trans | -80.5 | 158.2 | 175.1 | -67.6 | -175.1 | -7.2 | 0 | 0 | 111 | K233 D234 T237 | K233-Q239 CarbonylContact C-O 3.55Å; K233-Q239 VanDerWaalsContact CA-O 3.31Å; K233-Q239 WeakPolarHBondContact CA-O 3.48Å; D234-Q239 PolarHBondContact N-O 2.62Å; T237-Q239 PolarHBondContact O-N 3.3Å | ||
| 240 | N | 84.7 | Confident | 89.3 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 10% | 0.102 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 135.9 | 176.5 | -65 | -16.6 | 0 | 0 | 0 | 111.3 | P209 T211 K233 G242 | P209-N240 PolarHBondContact O-N 3.2Å; T211-N240 PolarHBondContact O-ND2 3.24Å; K233-N240 WeakPolarHBondContact CG-OD1 3.29Å; N240-G242 PolarHBondContact O-N 2.66Å |
| 241 | R | 88.7 | Confident | 89.3 | Confident | 165 Ų | 165 | 70.8 Ų | 70.8 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 15.5 | 173.6 | -61.7 | 179.6 | 66.5 | -179.5 | 1.6 | 113.3 | A232 D234 F243 | A232-R241 WeakPolarHBondContact O-CB 3.46Å; A232-R241 PolarHBondContact O-N 3.29Å; D234-R241 HydrophobicContact CB-CG 4Å; R241-F243 HydrophobicContact CB-CD1 4.04Å; R241-F243 HydrophobicContact CB-CE1 3.65Å; R241-F243 HydrophobicContact CB-CZ 4.48Å; R241-F243 WeakPolarHBondContact O-CD1 2.86Å; R241-F243 PolarHBondContact O-N 3.22Å |
| 242 | G | 90.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 77 Ų | 77 | 19% | 0.186 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.9 | 11.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | T205 N206 L207 N240 | T205-G242 CarbonylContact C-O 3.58Å; N206-G242 PolarHBondContact N-O 2.72Å; L207-G242 PolarHBondContact N-O 2.65Å; L207-G242 VanDerWaalsContact N-O 3.14Å; L207-G242 WeakPolarHBondContact O-CA 3.32Å; N240-G242 PolarHBondContact O-N 2.66Å |
| 243 | F | 92.2 | Very high | 89.6 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 21% | 0.211 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 152.1 | 172.8 | 65.5 | -84.8 | 0 | 0 | 0 | 113 | V204 T205 A232 R241 F245 | V204-F243 CarbonylContact O-C 3.59Å; V204-F243 WeakPolarHBondContact O-CA 3.25Å; V204-F243 WeakPolarHBondContact O-CB 3.5Å; T205-F243 HydrophobicContact CG2-CB 4.42Å; A232-F243 HydrophobicContact CB-CD1 4.23Å; A232-F243 HydrophobicContact CB-CD2 3.51Å; A232-F243 HydrophobicContact CB-CE1 3.9Å; A232-F243 HydrophobicContact CB-CE2 3.12Å; A232-F243 HydrophobicContact CB-CG 4.06Å; A232-F243 HydrophobicContact CB-CZ 3.34Å; A232-F243 WeakPolarHBondContact CB-O 3.48Å; A232-F243 PolarHBondContact N-O 2.8Å; R241-F243 HydrophobicContact CB-CD1 4.04Å; R241-F243 HydrophobicContact CB-CE1 3.65Å; R241-F243 HydrophobicContact CB-CZ 4.48Å; R241-F243 WeakPolarHBondContact O-CD1 2.86Å; R241-F243 PolarHBondContact O-N 3.22Å; F243-F245 AromaticContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CZ 4.48Å; F243-F245 AromaticContact CE2-CE2 3.89Å; F243-F245 HydrophobicContact CE2-CE2 3.89Å |
| 244 | A | 93.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V204 L207 L216 Y230 | V204-A244 PolarHBondContact N-O 3.42Å; V204-A244 PolarHBondContact O-N 2.78Å; L207-A244 HydrophobicContact CD1-CB 3.73Å; L216-A244 HydrophobicContact CD1-CB 3.78Å; Y230-A244 WeakPolarHBondContact O-CA 3.38Å |
| 245 | F | 93.5 | Very high | 90 | Very high | 63 Ų | 63 | 76.6 Ų | 76.6 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.5 | 172.4 | -65.3 | -83.6 | 0 | 0 | 0 | 110.1 | V202 R203 Y230 F243 A276 | V202-F245 WeakPolarHBondContact O-CA 3.31Å; R203-F245 HydrophobicContact CB-CD1 4.16Å; R203-F245 HydrophobicContact CB-CE1 4.02Å; R203-F245 HydrophobicContact CG-CD1 4.36Å; R203-F245 HydrophobicContact CG-CE1 3.94Å; R203-F245 HydrophobicContact CG-CZ 4.44Å; Y230-F245 HydrophobicContact CD1-CD2 4.18Å; Y230-F245 PolarHBondContact N-O 2.87Å; Y230-F245 PolarHBondContact O-N 3.09Å; F243-F245 AromaticContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CZ 4.48Å; F243-F245 AromaticContact CE2-CE2 3.89Å; F243-F245 HydrophobicContact CE2-CE2 3.89Å; F245-A276 HydrophobicContact CD1-CB 3.95Å; F245-A276 HydrophobicContact CE1-CB 4.07Å |
| 246 | I | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.5 | -176.4 | -56.1 | -178.5 | 0 | 0 | 0 | 108.1 | T201 V202 V204 L216 F220 V226 R228 I229 F248 | T201-I246 WeakPolarHBondContact CA-O 3.28Å; V202-I246 PolarHBondContact N-O 2.85Å; V202-I246 PolarHBondContact O-N 3.47Å; V204-I246 HydrophobicContact CG2-CD1 3.78Å; V204-I246 HydrophobicContact CG2-CG1 4.34Å; L216-I246 HydrophobicContact CB-CD1 4.49Å; F220-I246 HydrophobicContact CB-CD1 4.41Å; F220-I246 HydrophobicContact CD1-CD1 4.19Å; F220-I246 HydrophobicContact CD2-CD1 3.12Å; F220-I246 HydrophobicContact CE1-CD1 4.26Å; F220-I246 HydrophobicContact CE2-CD1 3.25Å; F220-I246 HydrophobicContact CG-CD1 3.64Å; F220-I246 HydrophobicContact CZ-CD1 3.83Å; V226-I246 HydrophobicContact CG1-CG2 3.65Å; V226-I246 HydrophobicContact CG2-CG2 4.32Å; R228-I246 WeakPolarHBondContact O-CA 3.48Å; I229-I246 HydrophobicContact CG2-CG1 4.49Å; I246-F248 HydrophobicContact CB-CE2 4.41Å; I246-F248 HydrophobicContact CG2-CD2 4.36Å; I246-F248 HydrophobicContact CG2-CE2 3.8Å; I246-F248 HydrophobicContact CG2-CZ 3.99Å |
| 247 | S | 92.7 | Very high | 90.8 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 12% | 0.119 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.1 | 176 | -54.1 | 0 | 0 | 0 | 0 | 109.7 | T201 M227 R228 | T201-S247 WeakPolarHBondContact CG2-OG 3.39Å; M227-S247 WeakPolarHBondContact CB-O 3.49Å; M227-S247 PolarHBondContact N-O 3.24Å; R228-S247 PolarHBondContact N-O 2.85Å; R228-S247 PolarHBondContact O-N 2.81Å |
| 248 | F | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 162.5 | 172.1 | -71.9 | -85.4 | 0 | 0 | 0 | 111.8 | N200 V202 F220 V226 I246 E253 A254 A257 | N200-F248 WeakPolarHBondContact CB-O 3.35Å; N200-F248 PolarHBondContact O-N 2.9Å; V202-F248 HydrophobicContact CB-CE2 4.2Å; V202-F248 HydrophobicContact CG2-CD2 3.86Å; V202-F248 HydrophobicContact CG2-CE2 3.78Å; F220-F248 HydrophobicContact CB-CE1 4.44Å; F220-F248 HydrophobicContact CB-CZ 3.99Å; F220-F248 HydrophobicContact CD1-CE2 4.42Å; F220-F248 AromaticContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CG-CZ 4.25Å; V226-F248 HydrophobicContact CG2-CD1 4.4Å; V226-F248 HydrophobicContact CG2-CE1 3.84Å; V226-F248 HydrophobicContact CG2-CZ 4.37Å; I246-F248 HydrophobicContact CB-CE2 4.41Å; I246-F248 HydrophobicContact CG2-CD2 4.36Å; I246-F248 HydrophobicContact CG2-CE2 3.8Å; I246-F248 HydrophobicContact CG2-CZ 3.99Å; F248-E253 HydrophobicContact CB-CB 4.17Å; F248-E253 HydrophobicContact CD1-CB 4Å; F248-E253 HydrophobicContact CG-CB 4.29Å; F248-A254 HydrophobicContact CB-CB 4.13Å; F248-A254 HydrophobicContact CD2-CB 3.75Å; F248-A254 HydrophobicContact CG-CB 4.18Å; F248-A257 HydrophobicContact CE1-CB 4.34Å; F248-A257 HydrophobicContact CE2-CB 3.9Å; F248-A257 HydrophobicContact CZ-CB 3.61Å |
| 249 | R | 91.5 | Very high | 91.8 | Very high | 161 Ų | 161 | 60 Ų | 60 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -68.3 | -40.9 | 175 | -174.3 | 175.1 | 179.8 | 141.9 | -0.3 | 111.4 | N200 H225 M227 | N200-R249 PolarHBondContact ND2-O 2.78Å; H225-R249 HydrophobicContact CB-CB 4.34Å; H225-R249 PolarHBondContact O-N 2.78Å; H225-R249 VanDerWaalsContact O-N 3.16Å; M227-R249 HydrophobicContact CG-CB 4.09Å; M227-R249 HydrophobicContact SD-CB 4.17Å; M227-R249 HydrophobicContact SD-CG 4.41Å |
| 250 | T | 91.5 | Very high | 92.1 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -125.6 | 153.9 | -178.2 | 64 | 0 | 0 | 0 | 0 | 111.6 | E252 E253 A254 | T250-E252 VanDerWaalsContact C-N 3.26Å; T250-E252 PolarHBondContact O-N 3.01Å; T250-E253 PolarHBondContact O-N 3.33Å; T250-E253 WeakPolarHBondContact OG1-CB 3.39Å; T250-E253 WeakPolarHBondContact OG1-CG 3.14Å; T250-E253 PolarHBondContact OG1-N 3.06Å; T250-E253 PolarHBondContact OG1-OE1 3.47Å; T250-A254 PolarHBondContact O-N 3.08Å |
| 251 | A | 91.1 | Very high | 92.5 | Very high | 47 Ų | 47 | 56 Ų | 56 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.4 | -29.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | N200 A254 K255 | N200-A251 WeakPolarHBondContact OD1-CB 3.33Å; N200-A251 PolarHBondContact OD1-N 3.13Å; A251-A254 PolarHBondContact O-N 3.37Å; A251-K255 WeakPolarHBondContact O-CB 3.47Å; A251-K255 PolarHBondContact O-N 2.93Å |
| 252 | E | 92.9 | Very high | 92.6 | Very high | 154 Ų | 154 | 52.2 Ų | 52.2 | 72% | 0.72 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68 | -40.4 | 178.3 | -63.5 | 179.7 | 177.7 | 0 | 0 | 112.1 | T250 K255 S256 | T250-E252 VanDerWaalsContact C-N 3.26Å; T250-E252 PolarHBondContact O-N 3.01Å; E252-K255 PolarHBondContact O-N 3.44Å; E252-S256 WeakPolarHBondContact O-CB 3.48Å; E252-S256 PolarHBondContact O-N 2.82Å; E252-S256 PolarHBondContact O-OG 3.41Å |
| 253 | E | 93.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 53.5 Ų | 53.5 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 172.8 | -74.5 | 168.1 | -157.3 | 0 | 0 | 111 | H225 F248 T250 K255 S256 A257 | H225-E253 PolarHBondContact N-OE2 3.26Å; F248-E253 HydrophobicContact CB-CB 4.17Å; F248-E253 HydrophobicContact CD1-CB 4Å; F248-E253 HydrophobicContact CG-CB 4.29Å; T250-E253 PolarHBondContact O-N 3.33Å; T250-E253 WeakPolarHBondContact OG1-CB 3.39Å; T250-E253 WeakPolarHBondContact OG1-CG 3.14Å; T250-E253 PolarHBondContact OG1-N 3.06Å; T250-E253 PolarHBondContact OG1-OE1 3.47Å; E253-K255 PolarHBondContact O-N 3.46Å; E253-S256 PolarHBondContact O-N 2.82Å; E253-A257 WeakPolarHBondContact O-CB 3.33Å; E253-A257 PolarHBondContact O-N 2.78Å |
| 254 | A | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V202 F248 T250 A251 S256 A257 I258 W275 | V202-A254 HydrophobicContact CG2-CB 3.65Å; F248-A254 HydrophobicContact CB-CB 4.13Å; F248-A254 HydrophobicContact CD2-CB 3.75Å; F248-A254 HydrophobicContact CG-CB 4.18Å; T250-A254 PolarHBondContact O-N 3.08Å; A251-A254 PolarHBondContact O-N 3.37Å; A254-S256 PolarHBondContact O-N 3.38Å; A254-A257 PolarHBondContact O-N 3.43Å; A254-I258 VanDerWaalsContact O-CG1 3.3Å; A254-I258 WeakPolarHBondContact O-CG1 3.21Å; A254-I258 PolarHBondContact O-N 2.83Å; A254-W275 HydrophobicContact CB-CH2 3.72Å; A254-W275 HydrophobicContact CB-CZ3 3.69Å |
| 255 | K | 93.8 | Very high | 92.2 | Very high | 113 Ų | 113 | 64.6 Ų | 64.6 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.4 | -173 | 177.6 | 179.5 | -177.5 | 0 | 111.3 | A251 E252 E253 A257 I258 Y259 W275 | A251-K255 WeakPolarHBondContact O-CB 3.47Å; A251-K255 PolarHBondContact O-N 2.93Å; E252-K255 PolarHBondContact O-N 3.44Å; E253-K255 PolarHBondContact O-N 3.46Å; K255-A257 VanDerWaalsContact C-N 3.34Å; K255-A257 PolarHBondContact O-N 2.78Å; K255-I258 PolarHBondContact O-N 2.72Å; K255-Y259 HydrophobicContact CD-CE2 4.28Å; K255-Y259 HydrophobicContact CG-CD2 3.93Å; K255-Y259 HydrophobicContact CG-CE2 3.58Å; K255-Y259 WeakPolarHBondContact O-CD2 3.1Å; K255-Y259 PolarHBondContact O-N 2.95Å; K255-Y259 VanDerWaalsContact O-N 3.14Å; K255-W275 HydrophobicContact CB-CH2 4.27Å; K255-W275 HydrophobicContact CB-CZ2 3.92Å; K255-W275 HydrophobicContact CG-CZ2 4.4Å |
| 256 | S | 93.2 | Very high | 91.8 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 44% | 0.441 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | E252 E253 A254 I258 Y259 G260 | E252-S256 WeakPolarHBondContact O-CB 3.48Å; E252-S256 PolarHBondContact O-N 2.82Å; E252-S256 PolarHBondContact O-OG 3.41Å; E253-S256 PolarHBondContact O-N 2.82Å; A254-S256 PolarHBondContact O-N 3.38Å; S256-I258 PolarHBondContact O-N 3.18Å; S256-Y259 PolarHBondContact O-N 3.09Å; S256-G260 PolarHBondContact O-N 3.21Å |
| 257 | A | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F220 F223 F248 E253 A254 K255 V261 | F220-A257 HydrophobicContact CD1-CB 4.03Å; F220-A257 HydrophobicContact CE1-CB 4.3Å; F223-A257 HydrophobicContact CB-CB 3.8Å; F223-A257 HydrophobicContact CD2-CB 4.42Å; F223-A257 HydrophobicContact CG-CB 4.1Å; F248-A257 HydrophobicContact CE1-CB 4.34Å; F248-A257 HydrophobicContact CE2-CB 3.9Å; F248-A257 HydrophobicContact CZ-CB 3.61Å; E253-A257 WeakPolarHBondContact O-CB 3.33Å; E253-A257 PolarHBondContact O-N 2.78Å; A254-A257 PolarHBondContact O-N 3.43Å; K255-A257 VanDerWaalsContact C-N 3.34Å; K255-A257 PolarHBondContact O-N 2.78Å; A257-V261 WeakPolarHBondContact O-CB 3.48Å; A257-V261 WeakPolarHBondContact O-CG2 3.44Å; A257-V261 PolarHBondContact O-N 3.23Å |
| 258 | I | 94.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 74.5 Ų | 74.5 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 176.2 | -68.9 | 161.7 | 0 | 0 | 0 | 110.5 | V202 A254 K255 S256 G260 N262 V273 W275 | V202-I258 HydrophobicContact CG1-CG1 3.91Å; V202-I258 HydrophobicContact CG2-CD1 4.12Å; V202-I258 HydrophobicContact CG2-CG1 4.12Å; A254-I258 VanDerWaalsContact O-CG1 3.3Å; A254-I258 WeakPolarHBondContact O-CG1 3.21Å; A254-I258 PolarHBondContact O-N 2.83Å; K255-I258 PolarHBondContact O-N 2.72Å; S256-I258 PolarHBondContact O-N 3.18Å; I258-G260 PolarHBondContact O-N 3.28Å; I258-N262 WeakPolarHBondContact O-CB 3.44Å; I258-N262 PolarHBondContact O-N 3.41Å; I258-N262 VanDerWaalsContact O-N 3.16Å; I258-V273 HydrophobicContact CB-CG1 4.44Å; I258-V273 HydrophobicContact CG1-CG1 3.91Å; I258-W275 HydrophobicContact CD1-CD2 3.46Å; I258-W275 VanDerWaalsContact CD1-CD2 3.46Å; I258-W275 HydrophobicContact CD1-CE3 4.06Å; I258-W275 HydrophobicContact CD1-CG 3.77Å; I258-W275 HydrophobicContact CD1-CH2 4.27Å; I258-W275 HydrophobicContact CD1-CZ2 3.7Å; I258-W275 HydrophobicContact CD1-CZ3 4.43Å |
| 259 | Y | 92.9 | Very high | 90.6 | Very high | 177 Ų | 177 | 75.7 Ų | 75.7 | 69% | 0.694 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.2 | -34 | -178.9 | -73.2 | -69.2 | 0 | 0 | 0 | 113.5 | K255 S256 | K255-Y259 HydrophobicContact CD-CE2 4.28Å; K255-Y259 HydrophobicContact CG-CD2 3.93Å; K255-Y259 HydrophobicContact CG-CE2 3.58Å; K255-Y259 WeakPolarHBondContact O-CD2 3.1Å; K255-Y259 PolarHBondContact O-N 2.95Å; K255-Y259 VanDerWaalsContact O-N 3.14Å; S256-Y259 PolarHBondContact O-N 3.09Å |
| 260 | G | 91 | Very high | 90.6 | Very high | 39 Ų | 39 | 70.7 Ų | 70.7 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -81.3 | -35 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S256 I258 | S256-G260 PolarHBondContact O-N 3.21Å; I258-G260 PolarHBondContact O-N 3.28Å |
| 261 | V | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -98.4 | -21.6 | -173.6 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | V219 F220 F223 A257 G263 L264 L271 V273 | V219-V261 HydrophobicContact CG1-CG1 4.37Å; V219-V261 HydrophobicContact CG1-CG2 4.43Å; F220-V261 HydrophobicContact CD1-CG2 4.29Å; F220-V261 HydrophobicContact CE1-CB 4.16Å; F220-V261 HydrophobicContact CE1-CG1 4.15Å; F220-V261 HydrophobicContact CE1-CG2 3.91Å; F220-V261 HydrophobicContact CZ-CB 4.41Å; F220-V261 HydrophobicContact CZ-CG1 3.91Å; F220-V261 HydrophobicContact CZ-CG2 4.44Å; F223-V261 HydrophobicContact CD2-CG2 3.75Å; F223-V261 HydrophobicContact CE2-CG2 3.13Å; F223-V261 HydrophobicContact CZ-CG2 3.6Å; A257-V261 WeakPolarHBondContact O-CB 3.48Å; A257-V261 WeakPolarHBondContact O-CG2 3.44Å; A257-V261 PolarHBondContact O-N 3.23Å; V261-G263 PolarHBondContact O-N 3.32Å; V261-G263 VanDerWaalsContact O-N 3.11Å; V261-L264 HydrophobicContact CG1-CB 4.27Å; V261-L264 HydrophobicContact CG1-CD2 4.24Å; V261-L264 WeakPolarHBondContact O-CB 3.34Å; V261-L264 PolarHBondContact O-N 3.36Å; V261-L271 HydrophobicContact CG1-CB 4.46Å; V261-L271 HydrophobicContact CG1-CD1 4.11Å; V261-V273 HydrophobicContact CB-CG2 3.9Å; V261-V273 HydrophobicContact CG1-CG2 3.72Å |
| 262 | N | 92.4 | Very high | 90.8 | Very high | 86 Ų | 86 | 71.7 Ų | 71.7 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 116.2 | 178.4 | -170.9 | 25.6 | 0 | 0 | 0 | 110.5 | I258 V273 | I258-N262 WeakPolarHBondContact O-CB 3.44Å; I258-N262 PolarHBondContact O-N 3.41Å; I258-N262 VanDerWaalsContact O-N 3.16Å; N262-V273 HydrophobicContact CB-CB 4.3Å; N262-V273 PolarHBondContact OD1-N 3.39Å |
| 263 | G | 90.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 46% | 0.464 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -1.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V261 L271 | V261-G263 PolarHBondContact O-N 3.32Å; V261-G263 VanDerWaalsContact O-N 3.11Å; G263-L271 PolarHBondContact N-O 3.29Å |
| 264 | L | 88.8 | Confident | 90.9 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | trans | -69.4 | 131.8 | 176.8 | -173.2 | 68.2 | 0 | 0 | 0 | 110.7 | V219 V261 L271 | V219-L264 HydrophobicContact CG1-CD2 4.27Å; V261-L264 HydrophobicContact CG1-CB 4.27Å; V261-L264 HydrophobicContact CG1-CD2 4.24Å; V261-L264 WeakPolarHBondContact O-CB 3.34Å; V261-L264 PolarHBondContact O-N 3.36Å; L264-L271 PolarHBondContact O-N 2.64Å | ||
| 265 | R | 88.6 | Confident | 90.9 | Very high | 206 Ų | 206 | 71.4 Ų | 71.4 | 78% | 0.777 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 119.2 | 173 | -69.7 | 173.8 | -172 | -92.9 | 1.1 | 109.3 | V269 V270 | R265-V269 CarbonylContact C-O 3.59Å; R265-V269 WeakPolarHBondContact CA-O 3.34Å; R265-V270 HydrophobicContact CG-CG2 3.9Å |
| 266 | H | 83.6 | Confident | 90.7 | Very high | 39 Ų | 39 | 66.7 Ų | 66.7 | 18% | 0.181 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 124.4 | 175.2 | -174.9 | 69 | 0 | 0 | 0 | 109 | E215 H268 V269 L271 | E215-H266 IonicContact OE2-NE2 3.87Å; H266-H268 PolarHBondContact O-N 3.46Å; H266-V269 PolarHBondContact N-O 3.15Å; H266-V269 PolarHBondContact O-N 3.27Å; H266-V269 VanDerWaalsContact O-N 3.11Å; H266-V269 VanDerWaalsContact O-O 3.05Å; H266-L271 HydrophobicContact CB-CD1 3.75Å; H266-L271 HydrophobicContact CB-CD2 4.48Å; H266-L271 HydrophobicContact CB-CG 3.99Å |
| 267 | N | 81.1 | Confident | 90.2 | Very high | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.5 | 71.1 | -177.8 | -60.8 | -14.2 | 0 | 0 | 0 | 111.5 | P208 V269 | P208-N267 HydrophobicContact CG-CB 3.98Å; N267-V269 PolarHBondContact O-N 3.22Å |
| 268 | H | 84.6 | Confident | 89.1 | Confident | 171 Ų | 171 | 79.2 Ų | 79.2 | 79% | 0.792 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -2.8 | 178.4 | 64.2 | -91 | 0 | 0 | 0 | 117.6 | H266 | H266-H268 PolarHBondContact O-N 3.46Š|
| 269 | V | 90.5 | Very high | 87.7 | Confident | 25 Ų | 25 | 83.8 Ų | 83.8 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.6 | -178.1 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | N206 P208 R265 H266 N267 | N206-V269 HydrophobicContact CB-CG1 4.12Å; N206-V269 WeakPolarHBondContact ND2-CG1 3.4Å; N206-V269 WeakPolarHBondContact O-CG1 3.41Å; N206-V269 WeakPolarHBondContact OD1-CG1 3.5Å; P208-V269 HydrophobicContact CG-CG2 4.45Å; R265-V269 CarbonylContact C-O 3.59Å; R265-V269 WeakPolarHBondContact CA-O 3.34Å; H266-V269 PolarHBondContact N-O 3.15Å; H266-V269 PolarHBondContact O-N 3.27Å; H266-V269 VanDerWaalsContact O-N 3.11Å; H266-V269 VanDerWaalsContact O-O 3.05Å; N267-V269 PolarHBondContact O-N 3.22Å |
| 270 | V | 92.2 | Very high | 85.7 | Confident | 55 Ų | 55 | 83.4 Ų | 83.4 | 33% | 0.333 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.8 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | N206 R265 | N206-V270 PolarHBondContact ND2-O 3.48Å; R265-V270 HydrophobicContact CG-CG2 3.9Å |
| 271 | L | 92.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 91 Ų | 91 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | trans | -72.9 | 135 | 178.6 | -59.7 | 179.1 | 0 | 0 | 0 | 110.1 | L207 V261 G263 L264 H266 | L207-L271 HydrophobicContact CD2-CD2 4.29Å; L207-L271 HydrophobicContact CG-CD2 4.29Å; V261-L271 HydrophobicContact CG1-CB 4.46Å; V261-L271 HydrophobicContact CG1-CD1 4.11Å; G263-L271 PolarHBondContact N-O 3.29Å; L264-L271 PolarHBondContact O-N 2.64Å; H266-L271 HydrophobicContact CB-CD1 3.75Å; H266-L271 HydrophobicContact CB-CD2 4.48Å; H266-L271 HydrophobicContact CB-CG 3.99Å | ||
| 272 | K | 93.3 | Very high | 82.8 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.5 | 172.3 | 176.8 | 178.7 | -178.3 | 178.8 | 0 | 109.4 | T205 | T205-K272 PolarHBondContact N-O 3.03Å; T205-K272 PolarHBondContact O-N 3.39Å; T205-K272 VanDerWaalsContact O-N 3.11Å; T205-K272 WeakPolarHBondContact OG1-CB 3.34Å; T205-K272 PolarHBondContact OG1-O 3.4Å |
| 273 | V | 94.3 | Very high | 82.3 | Confident | 4 Ų | 4 | 96 Ų | 96 | 2% | 0.024 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.2 | -172.4 | -171.3 | 0 | 0 | 0 | 0 | 109 | V202 V204 F220 I258 V261 N262 | V202-V273 HydrophobicContact CG1-CG1 3.12Å; V204-V273 HydrophobicContact CG1-CG2 4.35Å; V204-V273 HydrophobicContact CG2-CG1 4.47Å; V204-V273 HydrophobicContact CG2-CG2 4.46Å; F220-V273 HydrophobicContact CE1-CG1 4.43Å; F220-V273 HydrophobicContact CZ-CG2 4.28Å; I258-V273 HydrophobicContact CB-CG1 4.44Å; I258-V273 HydrophobicContact CG1-CG1 3.91Å; V261-V273 HydrophobicContact CB-CG2 3.9Å; V261-V273 HydrophobicContact CG1-CG2 3.72Å; N262-V273 HydrophobicContact CB-CB 4.3Å; N262-V273 PolarHBondContact OD1-N 3.39Å |
| 274 | D | 94 | Very high | 81.9 | Confident | 85 Ų | 85 | 98.8 Ų | 98.8 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 164.8 | -177.3 | -154.2 | -26.2 | 0 | 0 | 0 | 109.7 | V202 R203 A276 | V202-D274 WeakPolarHBondContact CG1-O 3.37Å; R203-D274 PolarHBondContact N-O 3.48Å; R203-D274 PolarHBondContact O-N 3.12Å; D274-A276 PolarHBondContact O-N 2.93Å |
| 275 | W | 92.6 | Very high | 81.5 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 137 | 171.3 | -69.6 | 99.3 | 0 | 0 | 0 | 110.1 | A254 K255 I258 R277 | A254-W275 HydrophobicContact CB-CH2 3.72Å; A254-W275 HydrophobicContact CB-CZ3 3.69Å; K255-W275 HydrophobicContact CB-CH2 4.27Å; K255-W275 HydrophobicContact CB-CZ2 3.92Å; K255-W275 HydrophobicContact CG-CZ2 4.4Å; I258-W275 HydrophobicContact CD1-CD2 3.46Å; I258-W275 VanDerWaalsContact CD1-CD2 3.46Å; I258-W275 HydrophobicContact CD1-CE3 4.06Å; I258-W275 HydrophobicContact CD1-CG 3.77Å; I258-W275 HydrophobicContact CD1-CH2 4.27Å; I258-W275 HydrophobicContact CD1-CZ2 3.7Å; I258-W275 HydrophobicContact CD1-CZ3 4.43Å; W275-R277 PolarHBondContact O-N 3.08Å |
| 276 | A | 89.9 | Confident | 81 | Confident | 13 Ų | 13 | 93.6 Ų | 93.6 | 11% | 0.107 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 127.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | T201 R203 F245 D274 | T201-A276 VanDerWaalsContact O-CB 3.3Å; T201-A276 WeakPolarHBondContact O-CB 3.47Å; T201-A276 PolarHBondContact O-N 2.99Å; T201-A276 VanDerWaalsContact OG1-CB 3.25Å; T201-A276 WeakPolarHBondContact OG1-CB 3.45Å; R203-A276 HydrophobicContact CB-CB 4.26Å; F245-A276 HydrophobicContact CD1-CB 3.95Å; F245-A276 HydrophobicContact CE1-CB 4.07Å; D274-A276 PolarHBondContact O-N 2.93Å |
| 277 | R | 83.3 | Confident | 80.9 | Confident | 218 Ų | 218 | 97.3 Ų | 97.3 | 82% | 0.823 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 131.7 | 170.4 | -64 | -177.2 | -176.1 | 177.8 | -0.7 | 107.3 | W275 S279 | W275-R277 PolarHBondContact O-N 3.08Å; R277-S279 PolarHBondContact O-N 3.18Å |
| 278 | P | 70.9 | Confident | 80.8 | Confident | 109 Ų | 109 | 98.6 Ų | 98.6 | 71% | 0.708 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 132.1 | 171.7 | 23.9 | -32.3 | 0 | 0 | 0 | 107.6 | N280 | P278-N280 PolarHBondContact O-N 2.9Š|
| 279 | S | 63.6 | Low | 80.6 | Confident | 110 Ų | 110 | 93 Ų | 93 | 77% | 0.769 | 48% | 0.48 | S | S | * | . | trans | -66.9 | 92.6 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 107 | R277 N281 | R277-S279 PolarHBondContact O-N 3.18Å; S279-N281 PolarHBondContact O-N 3.22Å | ||
| 280 | N | 52.1 | Low | 79.7 | Confident | 168 Ų | 168 | 98.7 Ų | 98.7 | 90% | 0.898 | 51% | 0.508 | S | S | * | . | trans | -71.2 | 98.8 | 172.8 | -160 | 29.7 | 0 | 0 | 0 | 106.7 | P278 | P278-N280 PolarHBondContact O-N 2.9Š| ||
| 281 | N | 38.4 | Very low | 78.6 | Confident | 198 Ų | 198 | 102.6 Ų | 102.6 | 100% | 1.059 | 52% | 0.524 | S | S | * | . | trans | -124.2 | 0 | 175.1 | -152.3 | 69.8 | 0 | 0 | 0 | 108.3 | S279 | S279-N281 PolarHBondContact O-N 3.22Š|
Retrieved 281 of 281 residues in 161.1 ms
(Link to these results)