| 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 | 37.9 | Very low | 48 | Very low | 218 Ų | 218 | 128.4 Ų | 128.4 | 100% | 1.074 | 77% | 0.765 | S | S | * | * | 0 | 75.9 | 0 | -175.5 | -175 | -114.5 | 0 | 0 | 104.7 | |||||
| 2 | D | 37.1 | Very low | 50.9 | Low | 149 Ų | 149 | 120.8 Ų | 120.8 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -102.6 | 87.3 | -173.6 | -61.3 | -67.2 | 0 | 0 | 0 | 107.2 | Q4 | D2-Q4 VanDerWaalsContact C-N 3.26Å; D2-Q4 PolarHBondContact O-N 3.33Å; D2-Q4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | Q | 35.8 | Very low | 53.6 | Low | 183 Ų | 183 | 115.5 Ų | 115.5 | 86% | 0.855 | 69% | 0.69 | S | S | * | * | trans | -78.4 | 88 | 163.2 | -68.4 | -167.4 | 104 | 0 | 0 | 106.8 | G5 | Q3-G5 VanDerWaalsContact C-N 3.28Å; Q3-G5 PolarHBondContact O-N 3.23Å | ||
| 4 | Q | 37.2 | Very low | 55.8 | Low | 182 Ų | 182 | 114.8 Ų | 114.8 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | trans | -66.1 | 96.4 | 159.2 | -76 | 172.5 | 23.6 | 0 | 0 | 106.5 | D2 A6 | D2-Q4 VanDerWaalsContact C-N 3.26Å; D2-Q4 PolarHBondContact O-N 3.33Å; D2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-A6 PolarHBondContact O-N 3.41Å | ||
| 5 | G | 37.7 | Very low | 57.8 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | -57.3 | 119.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q3 G7 | Q3-G5 VanDerWaalsContact C-N 3.28Å; Q3-G5 PolarHBondContact O-N 3.23Å; G5-G7 PolarHBondContact O-N 3.03Å; G5-G7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | A | 48.3 | Very low | 59.9 | Low | 97 Ų | 97 | 105.4 Ų | 105.4 | 80% | 0.802 | 66% | 0.664 | S | S | * | * | trans | -50.9 | 116.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q4 G8 | Q4-A6 PolarHBondContact O-N 3.41Å; A6-G8 PolarHBondContact O-N 3.34Å | ||
| 7 | G | 42.7 | Very low | 61.8 | Low | 74 Ų | 74 | 102.6 Ų | 102.6 | 76% | 0.763 | 66% | 0.661 | S | S | * | * | trans | -63.8 | 91 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | G5 D9 | G5-G7 PolarHBondContact O-N 3.03Å; G5-G7 VanDerWaalsContact O-N 3.15Å; G7-D9 PolarHBondContact O-N 3.46Å | ||
| 8 | G | 50.4 | Low | 63.5 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 58% | 0.577 | 63% | 0.629 | S | S | * | * | trans | -59.5 | 121 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | A6 V10 | A6-G8 PolarHBondContact O-N 3.34Å; G8-V10 PolarHBondContact O-N 3.05Å | ||
| 9 | D | 59.8 | Low | 65 | Low | 166 Ų | 166 | 96.8 Ų | 96.8 | 89% | 0.888 | 62% | 0.621 | S | S | * | * | trans | -51.6 | 113.7 | 175.3 | -84.8 | -39 | 0 | 0 | 0 | 108 | G7 E11 | G7-D9 PolarHBondContact O-N 3.46Å; D9-E11 PolarHBondContact O-N 3.45Å | ||
| 10 | V | 63.3 | Low | 66.4 | Low | 38 Ų | 38 | 94.6 Ų | 94.6 | 23% | 0.23 | 61% | 0.611 | C | S | . | * | trans | -72.7 | 98.3 | -177.6 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | G8 V12 Y23 E24 | G8-V10 PolarHBondContact O-N 3.05Å; V10-V12 PolarHBondContact O-N 3.21Å; V10-V12 VanDerWaalsContact O-N 3.11Å; V10-Y23 HydrophobicContact CG1-CD1 3.6Å; V10-Y23 HydrophobicContact CG1-CE1 4.03Å; V10-E24 WeakPolarHBondContact CG1-OE2 3.47Å; V10-E24 HydrophobicContact CG2-CG 4.44Å; V10-E24 WeakPolarHBondContact CG2-OE2 3.48Å | ||
| 11 | E | 77.6 | Confident | 67.7 | Low | 176 Ų | 176 | 93.3 Ų | 93.3 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | trans | -67.6 | 110.7 | 177 | -168.5 | 173.2 | -175.5 | 0 | 0 | 109.1 | D9 P13 | D9-E11 PolarHBondContact O-N 3.45Å; E11-P13 WeakPolarHBondContact O-CD 3.31Å | ||
| 12 | V | 83.7 | Confident | 70.3 | Confident | 37 Ų | 37 | 84.5 Ų | 84.5 | 22% | 0.224 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -77.5 | 125.4 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | V10 A14 L16 L18 A20 Y23 | V10-V12 PolarHBondContact O-N 3.21Å; V10-V12 VanDerWaalsContact O-N 3.11Å; V12-A14 PolarHBondContact O-N 3.36Å; V12-L16 HydrophobicContact CG1-CB 4.46Å; V12-L16 HydrophobicContact CG1-CD1 4.34Å; V12-L18 HydrophobicContact CG1-CB 4.3Å; V12-A20 HydrophobicContact CG2-CB 4.11Å; V12-Y23 HydrophobicContact CB-CG 4.48Å; V12-Y23 HydrophobicContact CG1-CD2 4.3Å; V12-Y23 HydrophobicContact CG1-CG 4.09Å; V12-Y23 HydrophobicContact CG2-CD1 4.23Å; V12-Y23 HydrophobicContact CG2-CG 4.18Å |
| 13 | P | 86.1 | Confident | 73.1 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 34% | 0.338 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 131.2 | 172.7 | -26 | 33 | 0 | 0 | 0 | 111.2 | E11 G15 L16 Y23 | E11-P13 WeakPolarHBondContact O-CD 3.31Å; P13-G15 PolarHBondContact O-N 3Å; P13-L16 HydrophobicContact CB-CD1 3.85Å; P13-L16 HydrophobicContact CB-CG 4.15Å; P13-L16 HydrophobicContact CG-CD1 3.93Å; P13-L16 WeakPolarHBondContact O-CG 3.49Å; P13-L16 PolarHBondContact O-N 3.03Å; P13-Y23 HydrophobicContact CG-CE2 4.03Å |
| 14 | A | 84.4 | Confident | 76 | Confident | 106 Ų | 106 | 73 Ų | 73 | 88% | 0.876 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 139.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V12 L16 | V12-A14 PolarHBondContact O-N 3.36Å; A14-L16 PolarHBondContact O-N 3.35Å |
| 15 | G | 85.5 | Confident | 78.8 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 73% | 0.732 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -2.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P13 G17 | P13-G15 PolarHBondContact O-N 3Å; G15-G17 PolarHBondContact O-N 3.47Å |
| 16 | L | 91.8 | Very high | 81.6 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -66.8 | -22.4 | 172 | -65.9 | -176.8 | 0 | 0 | 0 | 112.7 | V12 P13 A14 L18 Y23 L46 A48 | V12-L16 HydrophobicContact CG1-CB 4.46Å; V12-L16 HydrophobicContact CG1-CD1 4.34Å; P13-L16 HydrophobicContact CB-CD1 3.85Å; P13-L16 HydrophobicContact CB-CG 4.15Å; P13-L16 HydrophobicContact CG-CD1 3.93Å; P13-L16 WeakPolarHBondContact O-CG 3.49Å; P13-L16 PolarHBondContact O-N 3.03Å; A14-L16 PolarHBondContact O-N 3.35Å; L16-L18 HydrophobicContact CB-CB 4.38Å; L16-L18 HydrophobicContact CB-CD1 4.16Å; L16-L18 HydrophobicContact CB-CG 4.09Å; L16-L18 HydrophobicContact CD1-CD1 4.25Å; L16-L18 PolarHBondContact O-N 3.45Å; L16-Y23 HydrophobicContact CD1-CD2 3.9Å; L16-Y23 HydrophobicContact CD1-CE2 3.81Å; L16-L46 HydrophobicContact CD1-CD2 4.22Å; L16-L46 HydrophobicContact CD2-CB 4.42Å; L16-L46 HydrophobicContact CD2-CD2 4.26Å; L16-L46 HydrophobicContact CD2-CG 3.88Å; L16-L46 WeakPolarHBondContact CD2-O 3.41Å; L16-A48 HydrophobicContact CB-CB 4.31Å; L16-A48 HydrophobicContact CD2-CB 4.19Å |
| 17 | G | 91.2 | Very high | 83.9 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | trans | 65.5 | 19.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G15 R50 | G15-G17 PolarHBondContact O-N 3.47Å; G17-R50 VanDerWaalsContact O-CZ 3.26Å; G17-R50 PolarHBondContact O-NH1 2.99Å; G17-R50 PolarHBondContact O-NH2 2.88Å | ||
| 18 | L | 92.6 | Very high | 86.4 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 9% | 0.089 | 42% | 0.417 | C | S | . | . | trans | -94.8 | 145.1 | 175.9 | -62.6 | 174.3 | 0 | 0 | 0 | 110.4 | V12 L16 E22 Y23 L26 A48 V154 L156 | V12-L18 HydrophobicContact CG1-CB 4.3Å; L16-L18 HydrophobicContact CB-CB 4.38Å; L16-L18 HydrophobicContact CB-CD1 4.16Å; L16-L18 HydrophobicContact CB-CG 4.09Å; L16-L18 HydrophobicContact CD1-CD1 4.25Å; L16-L18 PolarHBondContact O-N 3.45Å; L18-E22 HydrophobicContact CD2-CB 4.46Å; L18-Y23 HydrophobicContact CD1-CD2 4.24Å; L18-L26 HydrophobicContact CD1-CD1 3.75Å; L18-L26 HydrophobicContact CD2-CD1 4.45Å; L18-A48 HydrophobicContact CD1-CB 4.13Å; L18-A48 HydrophobicContact CG-CB 4.25Å; L18-V154 HydrophobicContact CD2-CG1 4.39Å; L18-V154 HydrophobicContact CD2-CG2 4.23Å; L18-L156 HydrophobicContact CD1-CD2 4.48Å | ||
| 19 | T | 92.6 | Very high | 88.7 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | trans | -73.5 | 161 | 165.3 | 65.4 | 0 | 0 | 0 | 0 | 110 | A21 E22 Y23 | T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 3.28Å; T19-E22 VanDerWaalsContact CB-OE2 3.32Å; T19-E22 WeakPolarHBondContact CB-OE2 3.29Å; T19-E22 VanDerWaalsContact CG2-OE2 3.32Å; T19-E22 WeakPolarHBondContact CG2-OE2 3Å; T19-E22 PolarHBondContact N-OE2 3.06Å; T19-E22 PolarHBondContact O-N 3.31Å; T19-E22 VanDerWaalsContact OG1-CD 3.31Å; T19-E22 VanDerWaalsContact OG1-CG 3.26Å; T19-E22 WeakPolarHBondContact OG1-CG 3.46Å; T19-E22 PolarHBondContact OG1-N 2.92Å; T19-E22 PolarHBondContact OG1-OE2 2.94Å; T19-Y23 PolarHBondContact O-N 3.14Å | ||
| 20 | A | 92.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V12 Y23 E24 | V12-A20 HydrophobicContact CG2-CB 4.11Å; A20-Y23 PolarHBondContact O-N 3.14Å; A20-E24 WeakPolarHBondContact O-CB 3.24Å; A20-E24 PolarHBondContact O-N 3.31Å |
| 21 | A | 92.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 56% | 0.562 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | T19 Q25 | T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 3.28Å; A21-Q25 WeakPolarHBondContact O-CG 3.48Å; A21-Q25 PolarHBondContact O-N 3.17Å |
| 22 | E | 94.1 | Very high | 93 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.6 | -41.1 | 175.8 | -67.4 | 164.8 | 120.2 | 0 | 0 | 111.3 | L18 T19 E24 Q25 L26 R50 L146 | L18-E22 HydrophobicContact CD2-CB 4.46Å; T19-E22 VanDerWaalsContact CB-OE2 3.32Å; T19-E22 WeakPolarHBondContact CB-OE2 3.29Å; T19-E22 VanDerWaalsContact CG2-OE2 3.32Å; T19-E22 WeakPolarHBondContact CG2-OE2 3Å; T19-E22 PolarHBondContact N-OE2 3.06Å; T19-E22 PolarHBondContact O-N 3.31Å; T19-E22 VanDerWaalsContact OG1-CD 3.31Å; T19-E22 VanDerWaalsContact OG1-CG 3.26Å; T19-E22 WeakPolarHBondContact OG1-CG 3.46Å; T19-E22 PolarHBondContact OG1-N 2.92Å; T19-E22 PolarHBondContact OG1-OE2 2.94Å; E22-E24 VanDerWaalsContact C-N 3.31Å; E22-E24 PolarHBondContact O-N 3.34Å; E22-Q25 WeakPolarHBondContact O-CB 3.37Å; E22-Q25 PolarHBondContact O-N 2.91Å; E22-L26 WeakPolarHBondContact O-CG 3.34Å; E22-L26 PolarHBondContact O-N 2.92Å; E22-R50 IonicContact OE1-CZ 2.99Å; E22-R50 IonicContact OE1-NE 3.91Å; E22-R50 PolarHBondContact OE1-NE 2.86Å; E22-R50 IonicContact OE1-NH2 3.39Å; E22-R50 PolarHBondContact OE1-NH2 2.99Å; E22-R50 IonicContact OE2-CZ 3.99Å; E22-R50 IonicContact OE2-NE 3.61Å; E22-R50 IonicContact OE2-NH2 2.86Å; E22-R50 PolarHBondContact OE2-NH2 2.64Å; E22-L146 HydrophobicContact CB-CD1 3.91Å; E22-L146 HydrophobicContact CB-CD2 4Å; E22-L146 HydrophobicContact CG-CD1 3.66Å; E22-L146 HydrophobicContact CG-CD2 4.34Å; E22-L146 WeakPolarHBondContact OE1-CD1 3.4Å |
| 23 | Y | 95.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 176.9 | -176.5 | -104.4 | 0 | 0 | 0 | 111.7 | V10 V12 P13 L16 L18 T19 A20 Q25 L26 R27 V30 | V10-Y23 HydrophobicContact CG1-CD1 3.6Å; V10-Y23 HydrophobicContact CG1-CE1 4.03Å; V12-Y23 HydrophobicContact CB-CG 4.48Å; V12-Y23 HydrophobicContact CG1-CD2 4.3Å; V12-Y23 HydrophobicContact CG1-CG 4.09Å; V12-Y23 HydrophobicContact CG2-CD1 4.23Å; V12-Y23 HydrophobicContact CG2-CG 4.18Å; P13-Y23 HydrophobicContact CG-CE2 4.03Å; L16-Y23 HydrophobicContact CD1-CD2 3.9Å; L16-Y23 HydrophobicContact CD1-CE2 3.81Å; L18-Y23 HydrophobicContact CD1-CD2 4.24Å; T19-Y23 PolarHBondContact O-N 3.14Å; A20-Y23 PolarHBondContact O-N 3.14Å; Y23-Q25 VanDerWaalsContact C-N 3.29Å; Y23-Q25 PolarHBondContact O-N 2.82Å; Y23-L26 CarbonylContact O-C 3.58Å; Y23-L26 PolarHBondContact O-N 3.41Å; Y23-R27 PolarHBondContact O-N 2.93Å; Y23-V30 HydrophobicContact CE2-CG2 4.05Å |
| 24 | E | 95.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 175.1 | -173.9 | 63.4 | -177.9 | 0 | 0 | 112.4 | V10 A20 E22 L26 R27 | V10-E24 WeakPolarHBondContact CG1-OE2 3.47Å; V10-E24 HydrophobicContact CG2-CG 4.44Å; V10-E24 WeakPolarHBondContact CG2-OE2 3.48Å; A20-E24 WeakPolarHBondContact O-CB 3.24Å; A20-E24 PolarHBondContact O-N 3.31Å; E22-E24 VanDerWaalsContact C-N 3.31Å; E22-E24 PolarHBondContact O-N 3.34Å; E24-L26 VanDerWaalsContact C-N 3.3Å; E24-L26 PolarHBondContact O-N 3.49Å; E24-R27 VanDerWaalsContact CD-CZ 3.45Å; E24-R27 IonicContact OE1-CZ 3.68Å; E24-R27 IonicContact OE1-NH1 2.71Å; E24-R27 PolarHBondContact OE1-NH1 3.44Å; E24-R27 IonicContact OE1-NH2 2.7Å; E24-R27 PolarHBondContact OE1-NH2 2.95Å; E24-R27 IonicContact OE2-CZ 3.59Å; E24-R27 IonicContact OE2-NE 3.17Å; E24-R27 IonicContact OE2-NH1 2.68Å; E24-R27 PolarHBondContact OE2-NH1 3.38Å; E24-R27 IonicContact OE2-NH2 3.75Å |
| 25 | Q | 95.7 | Very high | 94.7 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 173.3 | -67.9 | 177.7 | 57.4 | 0 | 0 | 112.4 | A21 E22 Y23 L146 | A21-Q25 WeakPolarHBondContact O-CG 3.48Å; A21-Q25 PolarHBondContact O-N 3.17Å; E22-Q25 WeakPolarHBondContact O-CB 3.37Å; E22-Q25 PolarHBondContact O-N 2.91Å; Y23-Q25 VanDerWaalsContact C-N 3.29Å; Y23-Q25 PolarHBondContact O-N 2.82Å; Q25-L146 HydrophobicContact CB-CD2 4.14Å |
| 26 | L | 96.7 | Very high | 95 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -87.9 | -15.8 | -177.7 | -63.8 | 171.6 | 0 | 0 | 0 | 113.3 | L18 E22 Y23 E24 P28 T29 V30 L146 V154 L156 | L18-L26 HydrophobicContact CD1-CD1 3.75Å; L18-L26 HydrophobicContact CD2-CD1 4.45Å; E22-L26 WeakPolarHBondContact O-CG 3.34Å; E22-L26 PolarHBondContact O-N 2.92Å; Y23-L26 CarbonylContact O-C 3.58Å; Y23-L26 PolarHBondContact O-N 3.41Å; E24-L26 VanDerWaalsContact C-N 3.3Å; E24-L26 PolarHBondContact O-N 3.49Å; L26-P28 VanDerWaalsContact C-CD 3.47Å; L26-T29 WeakPolarHBondContact O-CA 3.37Å; L26-T29 WeakPolarHBondContact O-CB 3.32Å; L26-T29 PolarHBondContact O-N 2.82Å; L26-V30 PolarHBondContact O-N 3.11Å; L26-L146 HydrophobicContact CD1-CD2 4.06Å; L26-L146 HydrophobicContact CD2-CD2 4.14Å; L26-L146 HydrophobicContact CG-CD2 3.88Å; L26-V154 HydrophobicContact CD1-CB 4.08Å; L26-V154 HydrophobicContact CD1-CG1 3.75Å; L26-V154 HydrophobicContact CD1-CG2 4.3Å; L26-L156 HydrophobicContact CB-CD1 4.38Å; L26-L156 HydrophobicContact CD1-CD1 4.48Å |
| 27 | R | 96.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 59 Ų | 59 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.1 | -44.7 | -175.3 | -168.6 | -178.5 | 69.6 | -154.2 | -13.5 | 113.3 | Y23 E24 T29 V30 D31 | Y23-R27 PolarHBondContact O-N 2.93Å; E24-R27 VanDerWaalsContact CD-CZ 3.45Å; E24-R27 IonicContact OE1-CZ 3.68Å; E24-R27 IonicContact OE1-NH1 2.71Å; E24-R27 PolarHBondContact OE1-NH1 3.44Å; E24-R27 IonicContact OE1-NH2 2.7Å; E24-R27 PolarHBondContact OE1-NH2 2.95Å; E24-R27 IonicContact OE2-CZ 3.59Å; E24-R27 IonicContact OE2-NE 3.17Å; E24-R27 IonicContact OE2-NH1 2.68Å; E24-R27 PolarHBondContact OE2-NH1 3.38Å; E24-R27 IonicContact OE2-NH2 3.75Å; R27-T29 VanDerWaalsContact C-N 3.26Å; R27-T29 PolarHBondContact O-N 3.43Å; R27-V30 PolarHBondContact O-N 3.47Å; R27-V30 VanDerWaalsContact O-N 3.16Å; R27-D31 WeakPolarHBondContact O-CB 3.44Å; R27-D31 PolarHBondContact O-N 2.92Å |
| 28 | P | 97.2 | Very high | 95.1 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.8 | -36.5 | 176.5 | -24.5 | 35.6 | 0 | 0 | 0 | 113.6 | L26 A32 | L26-P28 VanDerWaalsContact C-CD 3.47Å; P28-A32 WeakPolarHBondContact O-CB 3.18Å; P28-A32 PolarHBondContact O-N 3.11Å; P28-A32 VanDerWaalsContact O-N 3.15Å |
| 29 | T | 97.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 60.3 Ų | 60.3 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.8 | -42.7 | 176.7 | -56.4 | 0 | 0 | 0 | 0 | 111 | L26 R27 D31 A32 H33 T142 | L26-T29 WeakPolarHBondContact O-CA 3.37Å; L26-T29 WeakPolarHBondContact O-CB 3.32Å; L26-T29 PolarHBondContact O-N 2.82Å; R27-T29 VanDerWaalsContact C-N 3.26Å; R27-T29 PolarHBondContact O-N 3.43Å; T29-D31 VanDerWaalsContact C-N 3.31Å; T29-D31 PolarHBondContact O-N 2.64Å; T29-A32 PolarHBondContact O-N 3.42Å; T29-H33 WeakPolarHBondContact O-CB 3.3Å; T29-H33 PolarHBondContact O-N 3.19Å; T29-H33 VanDerWaalsContact O-N 3.09Å; T29-T142 HydrophobicContact CG2-CG2 3.79Å; T29-T142 WeakPolarHBondContact CG2-OG1 3.14Å |
| 30 | V | 97.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | Y23 L26 R27 A32 H34 L46 L156 | Y23-V30 HydrophobicContact CE2-CG2 4.05Å; L26-V30 PolarHBondContact O-N 3.11Å; R27-V30 PolarHBondContact O-N 3.47Å; R27-V30 VanDerWaalsContact O-N 3.16Å; V30-A32 PolarHBondContact O-N 3.46Å; V30-H34 HydrophobicContact CG1-CB 4.41Å; V30-H34 WeakPolarHBondContact O-CA 3.31Å; V30-H34 PolarHBondContact O-N 2.97Å; V30-L46 HydrophobicContact CG1-CD2 4.09Å; V30-L46 HydrophobicContact CG2-CD2 4.22Å; V30-L156 HydrophobicContact CG2-CD1 3.7Å |
| 31 | D | 96.4 | Very high | 95.2 | Very high | 57 Ų | 57 | 65.4 Ų | 65.4 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | -176.3 | -72.6 | 20 | 0 | 0 | 0 | 112.5 | R27 T29 R35 | R27-D31 WeakPolarHBondContact O-CB 3.44Å; R27-D31 PolarHBondContact O-N 2.92Å; T29-D31 VanDerWaalsContact C-N 3.31Å; T29-D31 PolarHBondContact O-N 2.64Å; D31-R35 IonicContact OD1-CZ 2.71Å; D31-R35 IonicContact OD1-NE 3.44Å; D31-R35 IonicContact OD1-NH1 3.92Å; D31-R35 PolarHBondContact OD1-NH1 3.32Å; D31-R35 IonicContact OD1-NH2 3.96Å; D31-R35 PolarHBondContact OD1-NH2 2.86Å; D31-R35 IonicContact OD2-CZ 2.89Å; D31-R35 IonicContact OD2-NH1 3Å; D31-R35 PolarHBondContact OD2-NH1 2.84Å; D31-R35 IonicContact OD2-NH2 2.93Å; D31-R35 PolarHBondContact OD2-NH2 3.44Å |
| 32 | A | 97 | Very high | 95.5 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 56% | 0.562 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -78.2 | -30.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | P28 T29 V30 | P28-A32 WeakPolarHBondContact O-CB 3.18Å; P28-A32 PolarHBondContact O-N 3.11Å; P28-A32 VanDerWaalsContact O-N 3.15Å; T29-A32 PolarHBondContact O-N 3.42Å; V30-A32 PolarHBondContact O-N 3.46Å |
| 33 | H | 97.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -130.1 | -21.1 | -163.9 | -61.5 | -56.4 | 0 | 0 | 0 | 115.6 | T29 V140 T142 | T29-H33 WeakPolarHBondContact O-CB 3.3Å; T29-H33 PolarHBondContact O-N 3.19Å; T29-H33 VanDerWaalsContact O-N 3.09Å; H33-V140 HydrophobicContact CB-CG1 4.07Å; H33-T142 HydrophobicContact CB-CG2 4.15Å |
| 34 | H | 97.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -115.5 | 8.5 | -169.7 | -62.5 | -77.4 | 0 | 0 | 0 | 114.1 | V30 L46 V140 T142 S158 | V30-H34 HydrophobicContact CG1-CB 4.41Å; V30-H34 WeakPolarHBondContact O-CA 3.31Å; V30-H34 PolarHBondContact O-N 2.97Å; H34-L46 HydrophobicContact CB-CD1 4.05Å; H34-V140 PolarHBondContact CE1-O 2.88Å; H34-V140 VanDerWaalsContact CE1-O 3.31Å; H34-T142 VanDerWaalsContact NE2-CG2 3.25Å; H34-T142 WeakPolarHBondContact NE2-CG2 3.15Å; H34-T142 PolarHBondContact NE2-OG1 2.93Å; H34-S158 WeakPolarHBondContact ND1-CB 3.44Å; H34-S158 PolarHBondContact ND1-OG 3.02Å |
| 35 | R | 94.6 | Very high | 95.7 | Very high | 161 Ų | 161 | 62.7 Ų | 62.7 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | trans | -96.3 | 130.5 | 174 | -69.9 | -175.6 | 173.1 | 149.7 | -0.3 | 111.2 | D31 | D31-R35 IonicContact OD1-CZ 2.71Å; D31-R35 IonicContact OD1-NE 3.44Å; D31-R35 IonicContact OD1-NH1 3.92Å; D31-R35 PolarHBondContact OD1-NH1 3.32Å; D31-R35 IonicContact OD1-NH2 3.96Å; D31-R35 PolarHBondContact OD1-NH2 2.86Å; D31-R35 IonicContact OD2-CZ 2.89Å; D31-R35 IonicContact OD2-NH1 3Å; D31-R35 PolarHBondContact OD2-NH1 2.84Å; D31-R35 IonicContact OD2-NH2 2.93Å; D31-R35 PolarHBondContact OD2-NH2 3.44Å | ||
| 36 | Y | 93.7 | Very high | 95.8 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | trans | -122.5 | 139.7 | 179.2 | -56.8 | -82.4 | 0 | 0 | 0 | 110.4 | V38 S158 Y159 A160 | Y36-V38 PolarHBondContact O-N 3.08Å; Y36-S158 WeakPolarHBondContact CE2-OG 3.19Å; Y36-S158 PolarHBondContact OH-O 3.15Å; Y36-S158 PolarHBondContact OH-OG 3.15Å; Y36-Y159 WeakPolarHBondContact CE2-O 3.15Å; Y36-A160 HydrophobicContact CD1-CB 3.67Å; Y36-A160 HydrophobicContact CD2-CB 4.18Å; Y36-A160 HydrophobicContact CE1-CB 4.14Å; Y36-A160 HydrophobicContact CG-CB 3.7Å | ||
| 37 | A | 92.6 | Very high | 95.9 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 88% | 0.876 | 35% | 0.345 | S | S | * | . | trans | -80.5 | 96.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 38 | V | 92.5 | Very high | 96 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 39% | 0.394 | 34% | 0.335 | S | S | . | . | trans | -96.1 | 129.3 | 176.8 | -66.8 | 0 | 0 | 0 | 0 | 109.7 | Y36 Q42 A160 | Y36-V38 PolarHBondContact O-N 3.08Å; V38-Q42 HydrophobicContact CB-CB 4.29Å; V38-A160 HydrophobicContact CG1-CB 4.32Å | ||
| 39 | G | 92.4 | Very high | 96 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | trans | -96 | -176.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G41 Q42 | G39-G41 PolarHBondContact O-N 2.91Å; G39-Q42 PolarHBondContact O-N 3.44Å; G39-Q42 VanDerWaalsContact O-N 3.13Å | ||
| 40 | E | 92.4 | Very high | 95.9 | Very high | 201 Ų | 201 | 55.8 Ų | 55.8 | 94% | 0.939 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133.7 | 170.9 | -173.7 | 178.5 | -178.6 | 0 | 0 | 110.7 | Q42 | E40-Q42 VanDerWaalsContact C-N 3.29Š|
| 41 | G | 95.2 | Very high | 95.9 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 13 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G39 V163 | G39-G41 PolarHBondContact O-N 2.91Å; G41-V163 WeakPolarHBondContact O-CB 3.43Å; G41-V163 WeakPolarHBondContact O-CG2 3.25Å; G41-V163 PolarHBondContact O-N 3.46Å |
| 42 | Q | 97.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152.6 | 170.9 | -59.6 | -173.7 | -51.6 | 0 | 0 | 110.2 | V38 G39 E40 V161 D162 | V38-Q42 HydrophobicContact CB-CB 4.29Å; G39-Q42 PolarHBondContact O-N 3.44Å; G39-Q42 VanDerWaalsContact O-N 3.13Å; E40-Q42 VanDerWaalsContact C-N 3.29Å; Q42-V161 WeakPolarHBondContact CA-O 3.06Å; Q42-D162 PolarHBondContact NE2-OD1 3.41Å |
| 43 | C | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 160.8 | 173.9 | 64.2 | 0 | 0 | 0 | 0 | 111.3 | A160 V161 E169 R173 | C43-A160 WeakPolarHBondContact O-CA 3.39Å; C43-V161 PolarHBondContact N-O 3.33Å; C43-V161 PolarHBondContact O-N 3.03Å; C43-E169 HydrophobicContact CB-CB 4.25Å; C43-E169 HydrophobicContact CB-CG 4.28Å; C43-R173 HydrophobicContact CB-CG 3.81Å |
| 44 | S | 97.1 | Very high | 95.7 | Very high | 41 Ų | 41 | 54 Ų | 54 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 159 | 175.5 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | Y159 R173 | S44-Y159 WeakPolarHBondContact CA-O 3.46Å; S44-Y159 WeakPolarHBondContact CB-O 3.34Å; S44-R173 WeakPolarHBondContact O-CD 3.27Å |
| 45 | S | 97.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.4 | 173 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | S158 Y159 D177 | S45-S158 WeakPolarHBondContact O-CA 3.49Å; S45-S158 WeakPolarHBondContact O-CB 3.39Å; S45-Y159 PolarHBondContact N-O 2.68Å; S45-Y159 PolarHBondContact O-N 3.39Å; S45-Y159 VanDerWaalsContact O-N 3.15Å; S45-D177 WeakPolarHBondContact CB-OD1 3.4Å; S45-D177 PolarHBondContact OG-OD1 2.92Å; S45-D177 PolarHBondContact OG-OD2 2.83Å |
| 46 | L | 97.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.5 | 173.8 | 172.1 | 64.5 | 0 | 0 | 0 | 107.9 | L16 V30 H34 L156 | L16-L46 HydrophobicContact CD1-CD2 4.22Å; L16-L46 HydrophobicContact CD2-CB 4.42Å; L16-L46 HydrophobicContact CD2-CD2 4.26Å; L16-L46 HydrophobicContact CD2-CG 3.88Å; L16-L46 WeakPolarHBondContact CD2-O 3.41Å; V30-L46 HydrophobicContact CG1-CD2 4.09Å; V30-L46 HydrophobicContact CG2-CD2 4.22Å; H34-L46 HydrophobicContact CB-CD1 4.05Å; L46-L156 HydrophobicContact CD1-CB 4.04Å; L46-L156 HydrophobicContact CD1-CD2 4.43Å |
| 47 | L | 98.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.9 | 177.9 | -64.8 | 91.1 | 0 | 0 | 0 | 109.6 | L156 E157 Y159 D177 I180 R181 L184 | L47-L156 CarbonylContact O-C 3.49Å; L47-L156 WeakPolarHBondContact O-CA 3.44Å; L47-E157 PolarHBondContact N-O 3.09Å; L47-E157 PolarHBondContact O-N 3.45Å; L47-Y159 HydrophobicContact CD1-CE1 4.36Å; L47-D177 HydrophobicContact CD1-CB 4.45Å; L47-D177 HydrophobicContact CD2-CB 4.17Å; L47-D177 WeakPolarHBondContact CD2-O 3.16Å; L47-I180 HydrophobicContact CB-CG2 4.25Å; L47-I180 HydrophobicContact CD1-CB 4.37Å; L47-I180 HydrophobicContact CD1-CD1 4.28Å; L47-I180 HydrophobicContact CD1-CG2 4.07Å; L47-I180 HydrophobicContact CD2-CB 4.38Å; L47-I180 HydrophobicContact CD2-CG2 4.14Å; L47-I180 HydrophobicContact CG-CG2 4.39Å; L47-R181 HydrophobicContact CD2-CB 4.15Å; L47-L184 HydrophobicContact CB-CD1 4.15Å |
| 48 | A | 97.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L16 L18 V154 V155 L156 | L16-A48 HydrophobicContact CB-CB 4.31Å; L16-A48 HydrophobicContact CD2-CB 4.19Å; L18-A48 HydrophobicContact CD1-CB 4.13Å; L18-A48 HydrophobicContact CG-CB 4.25Å; A48-V154 HydrophobicContact CB-CG1 4.37Å; A48-V155 CarbonylContact C-O 3.57Å; A48-V155 WeakPolarHBondContact CA-O 3.47Å; A48-L156 HydrophobicContact CB-CD2 3.5Å; A48-L156 VanDerWaalsContact CB-CD2 3.5Å |
| 49 | Q | 97.6 | Very high | 96.4 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 121 | 173.8 | -179.1 | 61.9 | 70 | 0 | 0 | 110.4 | I51 V154 V155 L184 K188 | Q49-I51 HydrophobicContact CG-CG1 4.09Å; Q49-V154 WeakPolarHBondContact O-CA 3.4Å; Q49-V155 PolarHBondContact N-O 3.16Å; Q49-V155 PolarHBondContact O-N 3.31Å; Q49-L184 HydrophobicContact CB-CB 3.83Å; Q49-L184 HydrophobicContact CB-CD1 4.07Å; Q49-L184 HydrophobicContact CB-CG 4.37Å; Q49-L184 HydrophobicContact CG-CB 4.07Å; Q49-K188 HydrophobicContact CG-CB 4.22Å |
| 50 | R | 96.2 | Very high | 96.6 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 137.6 | 168.3 | -75.9 | -173.7 | -163.5 | 79.4 | -13.8 | 110.9 | G17 E22 T153 V154 K188 | G17-R50 VanDerWaalsContact O-CZ 3.26Å; G17-R50 PolarHBondContact O-NH1 2.99Å; G17-R50 PolarHBondContact O-NH2 2.88Å; E22-R50 IonicContact OE1-CZ 2.99Å; E22-R50 IonicContact OE1-NE 3.91Å; E22-R50 PolarHBondContact OE1-NE 2.86Å; E22-R50 IonicContact OE1-NH2 3.39Å; E22-R50 PolarHBondContact OE1-NH2 2.99Å; E22-R50 IonicContact OE2-CZ 3.99Å; E22-R50 IonicContact OE2-NE 3.61Å; E22-R50 IonicContact OE2-NH2 2.86Å; E22-R50 PolarHBondContact OE2-NH2 2.64Å; R50-T153 CarbonylContact C-O 3.58Å; R50-T153 WeakPolarHBondContact CA-O 3.15Å; R50-V154 HydrophobicContact CG-CG2 3.91Å; R50-K188 WeakPolarHBondContact O-CD 3.49Å |
| 51 | I | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125.9 | -179.7 | -53.4 | -176.4 | 0 | 0 | 0 | 108.5 | Q49 A53 V58 T153 V155 L187 K188 A191 E192 | Q49-I51 HydrophobicContact CG-CG1 4.09Å; I51-A53 HydrophobicContact CG2-CB 3.9Å; I51-A53 PolarHBondContact O-N 2.69Å; I51-V58 HydrophobicContact CB-CG2 4.3Å; I51-V58 HydrophobicContact CD1-CG1 3.96Å; I51-V58 HydrophobicContact CD1-CG2 4.27Å; I51-V58 HydrophobicContact CG2-CG2 3.9Å; I51-T153 PolarHBondContact N-O 2.71Å; I51-T153 PolarHBondContact O-N 2.95Å; I51-T153 VanDerWaalsContact O-N 3.08Å; I51-V155 HydrophobicContact CD1-CG2 3.59Å; I51-V155 HydrophobicContact CG1-CG2 4.39Å; I51-L187 HydrophobicContact CD1-CD2 4.16Å; I51-L187 HydrophobicContact CD1-CG 3.94Å; I51-K188 HydrophobicContact CD1-CB 4.26Å; I51-K188 HydrophobicContact CG1-CB 3.93Å; I51-K188 HydrophobicContact CG1-CG 4.15Å; I51-K188 HydrophobicContact CG2-CG 4.36Å; I51-A191 HydrophobicContact CG2-CB 3.91Å; I51-E192 HydrophobicContact CG2-CG 3.9Å |
| 52 | H | 95.1 | Very high | 97 | Very high | 121 Ų | 121 | 31.5 Ų | 31.5 | 56% | 0.56 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -85.6 | 59.8 | 176.4 | -63.2 | -67.9 | 0 | 0 | 0 | 111.2 | E192 | H52-E192 HydrophobicContact CB-CG 4.39Å; H52-E192 IonicContact CD2-OE1 2.73Å; H52-E192 IonicContact CG-OE1 2.54Å; H52-E192 PolarHBondContact N-OE1 2.84Å |
| 53 | A | 95.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -145 | 151.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I51 V58 I151 T153 A191 T195 | I51-A53 HydrophobicContact CG2-CB 3.9Å; I51-A53 PolarHBondContact O-N 2.69Å; A53-V58 HydrophobicContact CB-CG2 4.07Å; A53-I151 VanDerWaalsContact O-CG2 3.24Å; A53-I151 WeakPolarHBondContact O-CG2 3.25Å; A53-T153 WeakPolarHBondContact O-CB 3.49Å; A53-T153 PolarHBondContact O-OG1 2.8Å; A53-A191 HydrophobicContact CB-CB 4.15Å; A53-T195 WeakPolarHBondContact CB-OG1 3.41Å |
| 54 | P | 95.7 | Very high | 97 | Very high | 44 Ų | 44 | 36.5 Ų | 36.5 | 29% | 0.286 | 20% | 0.203 | S | C | . | . | trans | -56.2 | 143.2 | 178.9 | -25.2 | 32.4 | 0 | 0 | 0 | 111.9 | A56 A57 V58 I151 T195 | P54-A56 PolarHBondContact O-N 3.32Å; P54-A56 VanDerWaalsContact O-N 3.11Å; P54-A57 HydrophobicContact CB-CB 4.47Å; P54-A57 WeakPolarHBondContact O-CB 3.4Å; P54-A57 PolarHBondContact O-N 3.3Å; P54-V58 PolarHBondContact O-N 3.4Å; P54-I151 HydrophobicContact CG-CD1 4.06Å; P54-T195 HydrophobicContact CG-CG2 4.47Å | ||
| 55 | P | 96.6 | Very high | 97 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.8 | -35.8 | -180 | -24.1 | 29 | 0 | 0 | 0 | 113 | A57 V58 W59 V143 E145 T153 | P55-A57 PolarHBondContact O-N 2.62Å; P55-V58 PolarHBondContact O-N 3.21Å; P55-W59 WeakPolarHBondContact O-CB 3.39Å; P55-W59 PolarHBondContact O-N 2.82Å; P55-V143 HydrophobicContact CB-CG1 4.29Å; P55-E145 HydrophobicContact CG-CB 3.62Å; P55-E145 HydrophobicContact CG-CG 3.86Å; P55-T153 HydrophobicContact CB-CG2 4.45Å; P55-T153 VanDerWaalsContact CD-OG1 3.31Å; P55-T153 WeakPolarHBondContact CD-OG1 3.19Å; P55-T153 WeakPolarHBondContact CG-OG1 3.22Å |
| 56 | A | 96.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 61% | 0.612 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62.8 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P54 A60 | P54-A56 PolarHBondContact O-N 3.32Å; P54-A56 VanDerWaalsContact O-N 3.11Å; A56-A60 WeakPolarHBondContact O-CB 3.32Å; A56-A60 PolarHBondContact O-N 3.38Å |
| 57 | A | 96.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.5 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P54 P55 | P54-A57 HydrophobicContact CB-CB 4.47Å; P54-A57 WeakPolarHBondContact O-CB 3.4Å; P54-A57 PolarHBondContact O-N 3.3Å; P55-A57 PolarHBondContact O-N 2.62Å |
| 58 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | I51 A53 P54 P55 A60 I61 V62 V143 T153 V155 L187 A191 | I51-V58 HydrophobicContact CB-CG2 4.3Å; I51-V58 HydrophobicContact CD1-CG1 3.96Å; I51-V58 HydrophobicContact CD1-CG2 4.27Å; I51-V58 HydrophobicContact CG2-CG2 3.9Å; A53-V58 HydrophobicContact CB-CG2 4.07Å; P54-V58 PolarHBondContact O-N 3.4Å; P55-V58 PolarHBondContact O-N 3.21Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.22Å; V58-I61 WeakPolarHBondContact O-CB 3.26Å; V58-I61 PolarHBondContact O-N 3.06Å; V58-I61 VanDerWaalsContact O-N 3.08Å; V58-V62 HydrophobicContact CG1-CG2 4.25Å; V58-V62 PolarHBondContact O-N 3.33Å; V58-V62 VanDerWaalsContact O-N 3.07Å; V58-V143 HydrophobicContact CB-CG1 4.03Å; V58-V143 HydrophobicContact CG1-CG1 3.91Å; V58-V143 HydrophobicContact CG1-CG2 4.18Å; V58-T153 HydrophobicContact CB-CG2 4.2Å; V58-T153 HydrophobicContact CG1-CG2 4.37Å; V58-T153 HydrophobicContact CG2-CG2 3.92Å; V58-V155 HydrophobicContact CG1-CG2 3.57Å; V58-L187 HydrophobicContact CG1-CD2 4.3Å; V58-A191 HydrophobicContact CG2-CB 3.97Å |
| 59 | W | 98.2 | Very high | 96.4 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -37.9 | -179.3 | -178.7 | -117.7 | 0 | 0 | 0 | 112.7 | P55 I61 V62 R63 L116 D117 D118 R121 V122 F123 V143 | P55-W59 WeakPolarHBondContact O-CB 3.39Å; P55-W59 PolarHBondContact O-N 2.82Å; W59-I61 PolarHBondContact O-N 3.23Å; W59-I61 VanDerWaalsContact O-N 3.11Å; W59-V62 HydrophobicContact CE3-CB 4.09Å; W59-V62 HydrophobicContact CE3-CG1 4.08Å; W59-V62 HydrophobicContact CZ3-CB 4.33Å; W59-V62 HydrophobicContact CZ3-CG1 3.84Å; W59-V62 PolarHBondContact O-N 3.11Å; W59-R63 HydrophobicContact CD2-CB 4.12Å; W59-R63 HydrophobicContact CH2-CB 4.16Å; W59-R63 HydrophobicContact CZ2-CB 3.75Å; W59-R63 VanDerWaalsContact O-CB 3.31Å; W59-R63 WeakPolarHBondContact O-CB 3.24Å; W59-R63 WeakPolarHBondContact O-CG 3.21Å; W59-R63 PolarHBondContact O-N 3.21Å; W59-L116 HydrophobicContact CH2-CD1 4.28Å; W59-L116 HydrophobicContact CZ2-CD1 4.08Å; W59-D117 WeakPolarHBondContact CZ2-O 3.44Å; W59-D118 PolarHBondContact NE1-OD1 3.48Å; W59-R121 HydrophobicContact CB-CG 4.13Å; W59-R121 HydrophobicContact CD2-CB 3.71Å; W59-R121 HydrophobicContact CD2-CG 3.79Å; W59-R121 HydrophobicContact CE3-CB 3.75Å; W59-R121 HydrophobicContact CE3-CG 4.33Å; W59-R121 HydrophobicContact CG-CB 4.1Å; W59-R121 HydrophobicContact CG-CG 3.65Å; W59-R121 VanDerWaalsContact CZ3-C 3.41Å; W59-R121 HydrophobicContact CZ3-CB 4.22Å; W59-R121 WeakPolarHBondContact CZ3-O 3.32Å; W59-V122 VanDerWaalsContact CH2-C 3.4Å; W59-V122 WeakPolarHBondContact CH2-O 3.46Å; W59-F123 HydrophobicContact CH2-CB 3.69Å; W59-F123 HydrophobicContact CZ3-CB 3.74Å; W59-V143 HydrophobicContact CE3-CB 4.38Å; W59-V143 HydrophobicContact CE3-CG2 3.83Å; W59-V143 HydrophobicContact CZ3-CG2 4.49Å |
| 60 | A | 97.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 45% | 0.446 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57 | -26.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A56 V58 R64 | A56-A60 WeakPolarHBondContact O-CB 3.32Å; A56-A60 PolarHBondContact O-N 3.38Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.22Å; A60-R64 WeakPolarHBondContact O-CG 3.18Å |
| 61 | I | 97.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -86.3 | -52.5 | 174.5 | -57.1 | 162 | 0 | 0 | 0 | 110.3 | V58 W59 R63 R64 V70 Y71 L187 V190 A191 | V58-I61 WeakPolarHBondContact O-CB 3.26Å; V58-I61 PolarHBondContact O-N 3.06Å; V58-I61 VanDerWaalsContact O-N 3.08Å; W59-I61 PolarHBondContact O-N 3.23Å; W59-I61 VanDerWaalsContact O-N 3.11Å; I61-R63 VanDerWaalsContact C-N 3.32Å; I61-R63 PolarHBondContact O-N 3.07Å; I61-R64 WeakPolarHBondContact O-CB 3.4Å; I61-R64 PolarHBondContact O-N 3.22Å; I61-V70 HydrophobicContact CG2-CG1 4.03Å; I61-Y71 HydrophobicContact CG2-CD1 3.86Å; I61-Y71 HydrophobicContact CG2-CE1 4.44Å; I61-L187 HydrophobicContact CB-CD1 3.91Å; I61-L187 HydrophobicContact CD1-CD1 4.21Å; I61-L187 HydrophobicContact CG2-CD1 3.62Å; I61-V190 HydrophobicContact CD1-CG1 3.96Å; I61-A191 HydrophobicContact CD1-CB 3.85Å |
| 62 | V | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | -174.6 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | V58 W59 R64 F123 T141 V143 L187 | V58-V62 HydrophobicContact CG1-CG2 4.25Å; V58-V62 PolarHBondContact O-N 3.33Å; V58-V62 VanDerWaalsContact O-N 3.07Å; W59-V62 HydrophobicContact CE3-CB 4.09Å; W59-V62 HydrophobicContact CE3-CG1 4.08Å; W59-V62 HydrophobicContact CZ3-CB 4.33Å; W59-V62 HydrophobicContact CZ3-CG1 3.84Å; W59-V62 PolarHBondContact O-N 3.11Å; V62-R64 PolarHBondContact O-N 3.21Å; V62-R64 VanDerWaalsContact O-N 3.12Å; V62-F123 HydrophobicContact CG1-CB 3.99Å; V62-F123 HydrophobicContact CG1-CD1 4.41Å; V62-F123 HydrophobicContact CG1-CG 4.32Å; V62-T141 HydrophobicContact CG1-CG2 3.75Å; V62-V143 HydrophobicContact CB-CG2 4.45Å; V62-V143 HydrophobicContact CG2-CG2 4.17Å; V62-L187 HydrophobicContact CG2-CD1 4.07Å; V62-L187 HydrophobicContact CG2-CD2 3.55Å; V62-L187 HydrophobicContact CG2-CG 4.46Å |
| 63 | R | 97.2 | Very high | 95.4 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.3 | -176.5 | 76.6 | -176.9 | -65.6 | -79.6 | -0.5 | 114.5 | W59 I61 F65 L116 D118 | W59-R63 HydrophobicContact CD2-CB 4.12Å; W59-R63 HydrophobicContact CH2-CB 4.16Å; W59-R63 HydrophobicContact CZ2-CB 3.75Å; W59-R63 VanDerWaalsContact O-CB 3.31Å; W59-R63 WeakPolarHBondContact O-CB 3.24Å; W59-R63 WeakPolarHBondContact O-CG 3.21Å; W59-R63 PolarHBondContact O-N 3.21Å; I61-R63 VanDerWaalsContact C-N 3.32Å; I61-R63 PolarHBondContact O-N 3.07Å; R63-F65 VanDerWaalsContact C-N 3.25Å; R63-F65 PolarHBondContact O-N 3.08Å; R63-L116 HydrophobicContact CB-CD1 3.98Å; R63-D118 IonicContact CZ-OD1 3.2Å; R63-D118 IonicContact CZ-OD2 3.08Å; R63-D118 IonicContact NE-OD1 3.42Å; R63-D118 PolarHBondContact NE-OD1 3.4Å; R63-D118 IonicContact NE-OD2 3.69Å; R63-D118 IonicContact NH2-OD1 3.21Å; R63-D118 PolarHBondContact NH2-OD1 2.95Å; R63-D118 IonicContact NH2-OD2 3.86Å; R63-D118 PolarHBondContact NH2-OD2 3.44Å |
| 64 | R | 96.1 | Very high | 95 | Very high | 100 Ų | 100 | 38.8 Ų | 38.8 | 38% | 0.377 | 21% | 0.213 | S | C | . | . | trans | -77.5 | 74.4 | -175.8 | -64.2 | -73 | -64 | 168.4 | 5.8 | 110.5 | A60 I61 V62 D66 C67 | A60-R64 WeakPolarHBondContact O-CG 3.18Å; I61-R64 WeakPolarHBondContact O-CB 3.4Å; I61-R64 PolarHBondContact O-N 3.22Å; V62-R64 PolarHBondContact O-N 3.21Å; V62-R64 VanDerWaalsContact O-N 3.12Å; R64-D66 WeakPolarHBondContact CA-OD1 3.46Å; R64-D66 IonicContact CZ-OD1 3.74Å; R64-D66 IonicContact CZ-OD2 3.38Å; R64-D66 IonicContact NE-OD1 3.4Å; R64-D66 PolarHBondContact NE-OD1 3.18Å; R64-D66 IonicContact NE-OD2 2.62Å; R64-D66 IonicContact NH1-OD1 2.99Å; R64-D66 IonicContact NH1-OD2 3.33Å; R64-D66 PolarHBondContact NH1-OD2 3.28Å; R64-D66 VanDerWaalsContact NH2-CG 3.34Å; R64-D66 IonicContact NH2-OD1 2.64Å; R64-D66 PolarHBondContact NH2-OD1 2.82Å; R64-D66 IonicContact NH2-OD2 3.69Å; R64-D66 PolarHBondContact NH2-OD2 3.36Å; R64-D66 PolarHBondContact O-N 3.14Å; R64-C67 HydrophobicContact CB-CB 4.11Å; R64-C67 PolarHBondContact NH2-SG 3.11Å; R64-C67 CarbonylContact O-C 3.6Å; R64-C67 PolarHBondContact O-N 3.34Å | ||
| 65 | F | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.5 | 174.1 | -174.6 | -114.9 | 0 | 0 | 0 | 112.5 | R63 V80 L90 R94 R96 L113 F123 F125 | R63-F65 VanDerWaalsContact C-N 3.25Å; R63-F65 PolarHBondContact O-N 3.08Å; F65-V80 HydrophobicContact CD1-CG2 4.29Å; F65-L90 HydrophobicContact CB-CD1 4.04Å; F65-L90 HydrophobicContact CB-CD2 4.21Å; F65-L90 HydrophobicContact CD1-CD2 4.26Å; F65-R94 HydrophobicContact CE1-CB 4.45Å; F65-R96 HydrophobicContact CD1-CB 4.36Å; F65-R96 HydrophobicContact CE1-CB 3.66Å; F65-R96 HydrophobicContact CE1-CG 3.73Å; F65-R96 VanDerWaalsContact CE2-CD 3.49Å; F65-R96 HydrophobicContact CE2-CG 3.94Å; F65-R96 HydrophobicContact CZ-CB 3.89Å; F65-R96 VanDerWaalsContact CZ-CD 3.48Å; F65-R96 HydrophobicContact CZ-CG 3.41Å; F65-R96 VanDerWaalsContact CZ-CG 3.41Å; F65-R96 WeakPolarHBondContact O-CD 3.31Å; F65-R96 PolarHBondContact O-NH1 2.9Å; F65-L113 HydrophobicContact CB-CD1 4.39Å; F65-L113 HydrophobicContact CB-CD2 4.33Å; F65-L113 HydrophobicContact CD1-CB 4.11Å; F65-L113 HydrophobicContact CD1-CD2 4.36Å; F65-L113 HydrophobicContact CD2-CB 4.12Å; F65-L113 HydrophobicContact CD2-CD1 3.9Å; F65-L113 HydrophobicContact CD2-CG 4.49Å; F65-L113 HydrophobicContact CE1-CB 3.92Å; F65-L113 HydrophobicContact CE2-CB 3.95Å; F65-L113 HydrophobicContact CE2-CD1 4.38Å; F65-L113 HydrophobicContact CG-CB 4.19Å; F65-L113 HydrophobicContact CG-CD1 4.15Å; F65-L113 HydrophobicContact CG-CD2 4.25Å; F65-L113 HydrophobicContact CG-CG 4.45Å; F65-L113 HydrophobicContact CZ-CB 3.83Å; F65-F123 HydrophobicContact CB-CE2 4Å; F65-F123 AromaticContact CD2-CE2 3.8Å; F65-F123 HydrophobicContact CD2-CE2 3.8Å; F65-F123 AromaticContact CD2-CZ 3.78Å; F65-F123 HydrophobicContact CD2-CZ 3.78Å; F65-F123 HydrophobicContact CG-CE2 4.37Å; F65-F125 HydrophobicContact CE2-CB 4.08Å |
| 66 | D | 95.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.1 | 179.5 | 62.1 | -29.7 | 0 | 0 | 0 | 114.6 | R64 C78 V80 L90 | R64-D66 WeakPolarHBondContact CA-OD1 3.46Å; R64-D66 IonicContact CZ-OD1 3.74Å; R64-D66 IonicContact CZ-OD2 3.38Å; R64-D66 IonicContact NE-OD1 3.4Å; R64-D66 PolarHBondContact NE-OD1 3.18Å; R64-D66 IonicContact NE-OD2 2.62Å; R64-D66 IonicContact NH1-OD1 2.99Å; R64-D66 IonicContact NH1-OD2 3.33Å; R64-D66 PolarHBondContact NH1-OD2 3.28Å; R64-D66 VanDerWaalsContact NH2-CG 3.34Å; R64-D66 IonicContact NH2-OD1 2.64Å; R64-D66 PolarHBondContact NH2-OD1 2.82Å; R64-D66 IonicContact NH2-OD2 3.69Å; R64-D66 PolarHBondContact NH2-OD2 3.36Å; R64-D66 PolarHBondContact O-N 3.14Å; D66-C78 PolarHBondContact O-SG 2.85Å; D66-V80 HydrophobicContact CB-CG2 3.43Å; D66-V80 VanDerWaalsContact CB-CG2 3.43Å; D66-L90 HydrophobicContact CB-CD2 4.48Å |
| 67 | C | 95.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | trans | -126.9 | 48 | -177.4 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | R64 Q69 V70 | R64-C67 HydrophobicContact CB-CB 4.11Å; R64-C67 PolarHBondContact NH2-SG 3.11Å; R64-C67 CarbonylContact O-C 3.6Å; R64-C67 PolarHBondContact O-N 3.34Å; C67-Q69 VanDerWaalsContact CA-OE1 3.25Å; C67-Q69 PolarHBondContact O-N 3.13Å; C67-V70 HydrophobicContact CB-CG2 4Å; C67-V70 WeakPolarHBondContact O-CB 3.28Å; C67-V70 VanDerWaalsContact O-CG2 3.31Å; C67-V70 WeakPolarHBondContact O-CG2 3.4Å; C67-V70 PolarHBondContact O-N 2.86Å | ||
| 68 | P | 95.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -63.6 | -25.9 | -178.8 | 31.6 | -39.3 | 0 | 0 | 0 | 113.2 | V70 Y71 K72 I75 C78 | P68-V70 PolarHBondContact O-N 2.86Å; P68-Y71 PolarHBondContact O-N 2.9Å; P68-Y71 VanDerWaalsContact O-N 3.14Å; P68-K72 HydrophobicContact CB-CD 4.08Å; P68-K72 HydrophobicContact CB-CG 4.31Å; P68-K72 WeakPolarHBondContact O-CB 3.31Å; P68-K72 WeakPolarHBondContact O-CG 3.08Å; P68-K72 PolarHBondContact O-N 2.82Å; P68-I75 HydrophobicContact CB-CD1 3.7Å; P68-I75 HydrophobicContact CG-CD1 3.64Å; P68-C78 VanDerWaalsContact CD-SG 3.5Å; P68-C78 HydrophobicContact CG-CB 3.77Å |
| 69 | Q | 94.1 | Very high | 94.1 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -60.5 | -15.5 | 177.9 | 70.7 | -80.5 | 11.2 | 0 | 0 | 114.1 | C67 Y71 I75 | C67-Q69 VanDerWaalsContact CA-OE1 3.25Å; C67-Q69 PolarHBondContact O-N 3.13Å; Q69-Y71 PolarHBondContact O-N 3.4Å; Q69-I75 HydrophobicContact CB-CB 4.26Å; Q69-I75 HydrophobicContact CB-CG2 3.98Å |
| 70 | V | 94.1 | Very high | 93.9 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -57.8 | -34.6 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | I61 C67 P68 V190 | I61-V70 HydrophobicContact CG2-CG1 4.03Å; C67-V70 HydrophobicContact CB-CG2 4Å; C67-V70 WeakPolarHBondContact O-CB 3.28Å; C67-V70 VanDerWaalsContact O-CG2 3.31Å; C67-V70 WeakPolarHBondContact O-CG2 3.4Å; C67-V70 PolarHBondContact O-N 2.86Å; P68-V70 PolarHBondContact O-N 2.86Å; V70-V190 HydrophobicContact CG1-CG1 4.19Å |
| 71 | Y | 94.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | -16.8 | 179.7 | 77.1 | -85.9 | 0 | 0 | 0 | 115.3 | I61 P68 Q69 H73 N183 K186 L187 | I61-Y71 HydrophobicContact CG2-CD1 3.86Å; I61-Y71 HydrophobicContact CG2-CE1 4.44Å; P68-Y71 PolarHBondContact O-N 2.9Å; P68-Y71 VanDerWaalsContact O-N 3.14Å; Q69-Y71 PolarHBondContact O-N 3.4Å; Y71-H73 PolarHBondContact O-N 2.92Å; Y71-N183 HydrophobicContact CD2-CB 4.1Å; Y71-N183 WeakPolarHBondContact CD2-O 3.47Å; Y71-N183 HydrophobicContact CE2-CB 4.11Å; Y71-K186 VanDerWaalsContact O-CB 3.31Å; Y71-K186 WeakPolarHBondContact O-CB 3.31Å; Y71-K186 VanDerWaalsContact O-CG 3.32Å; Y71-K186 WeakPolarHBondContact O-CG 3.1Å; Y71-L187 HydrophobicContact CD1-CD1 4.41Å; Y71-L187 HydrophobicContact CD2-CB 3.77Å; Y71-L187 HydrophobicContact CE2-CB 4.35Å; Y71-L187 HydrophobicContact CG-CB 4.09Å; Y71-L187 HydrophobicContact CG-CD1 4.29Å |
| 72 | K | 92.7 | Very high | 93.4 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | trans | -86.3 | 103 | 177.5 | -60.1 | -162.2 | -178.6 | -165.9 | 0 | 110.9 | P68 F74 I75 N183 | P68-K72 HydrophobicContact CB-CD 4.08Å; P68-K72 HydrophobicContact CB-CG 4.31Å; P68-K72 WeakPolarHBondContact O-CB 3.31Å; P68-K72 WeakPolarHBondContact O-CG 3.08Å; P68-K72 PolarHBondContact O-N 2.82Å; K72-F74 VanDerWaalsContact C-N 3.29Å; K72-F74 PolarHBondContact O-N 3.37Å; K72-I75 HydrophobicContact CB-CD1 3.75Å; K72-I75 HydrophobicContact CB-CG1 4.08Å; K72-I75 HydrophobicContact CD-CD1 3.99Å; K72-I75 HydrophobicContact CG-CD1 4.41Å; K72-I75 PolarHBondContact O-N 3.04Å; K72-N183 VanDerWaalsContact CA-OD1 3.28Å; K72-N183 WeakPolarHBondContact CA-OD1 3.33Å; K72-N183 HydrophobicContact CG-CB 4.3Å | ||
| 73 | H | 83.5 | Confident | 92.9 | Very high | 89 Ų | 89 | 58.3 Ų | 58.3 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -37.2 | -168.6 | -79.7 | -67.9 | 0 | 0 | 0 | 115.5 | Y71 I75 I101 N183 K186 | Y71-H73 PolarHBondContact O-N 2.92Å; H73-I75 VanDerWaalsContact C-N 3.27Å; H73-I75 PolarHBondContact O-N 3.37Å; H73-I101 WeakPolarHBondContact O-CD1 3.46Å; H73-N183 PolarHBondContact N-OD1 3.43Å; H73-K186 WeakPolarHBondContact NE2-CB 3.5Å |
| 74 | F | 86.8 | Confident | 92.3 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.2 | -171.2 | -58 | -57 | 0 | 0 | 0 | 113.4 | K72 V100 I101 L104 V179 L182 | K72-F74 VanDerWaalsContact C-N 3.29Å; K72-F74 PolarHBondContact O-N 3.37Å; F74-V100 HydrophobicContact CB-CG1 4.48Å; F74-V100 CarbonylContact O-C 3.55Å; F74-V100 VanDerWaalsContact O-CA 3.26Å; F74-V100 WeakPolarHBondContact O-CA 3.17Å; F74-V100 WeakPolarHBondContact O-CG1 3.46Å; F74-I101 PolarHBondContact O-N 2.86Å; F74-L104 HydrophobicContact CB-CD1 3.67Å; F74-L104 HydrophobicContact CD1-CD1 3.49Å; F74-L104 VanDerWaalsContact CD1-CD1 3.49Å; F74-L104 HydrophobicContact CD1-CD2 4.49Å; F74-L104 HydrophobicContact CE1-CD1 4.29Å; F74-L104 HydrophobicContact CG-CD1 3.74Å; F74-V179 HydrophobicContact CD2-CG1 4.09Å; F74-V179 HydrophobicContact CD2-CG2 4.36Å; F74-V179 HydrophobicContact CE2-CG1 4.31Å; F74-V179 HydrophobicContact CE2-CG2 4.06Å; F74-L182 HydrophobicContact CE2-CD1 3.91Å; F74-L182 HydrophobicContact CZ-CD1 3.74Å |
| 75 | I | 91.1 | Very high | 91.8 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.1 | 178.2 | -60.4 | -177.5 | 0 | 0 | 0 | 109.2 | P68 Q69 K72 H73 S77 C78 V98 | P68-I75 HydrophobicContact CB-CD1 3.7Å; P68-I75 HydrophobicContact CG-CD1 3.64Å; Q69-I75 HydrophobicContact CB-CB 4.26Å; Q69-I75 HydrophobicContact CB-CG2 3.98Å; K72-I75 HydrophobicContact CB-CD1 3.75Å; K72-I75 HydrophobicContact CB-CG1 4.08Å; K72-I75 HydrophobicContact CD-CD1 3.99Å; K72-I75 HydrophobicContact CG-CD1 4.41Å; K72-I75 PolarHBondContact O-N 3.04Å; H73-I75 VanDerWaalsContact C-N 3.27Å; H73-I75 PolarHBondContact O-N 3.37Å; I75-S77 WeakPolarHBondContact CG2-O 3.35Å; I75-C78 HydrophobicContact CG2-CB 4.39Å; I75-V98 HydrophobicContact CB-CG1 4.17Å; I75-V98 HydrophobicContact CD1-CG1 3.71Å; I75-V98 HydrophobicContact CG1-CG1 3.6Å; I75-V98 HydrophobicContact CG2-CG1 3.7Å |
| 76 | R | 90.1 | Very high | 91 | Very high | 193 Ų | 193 | 63.6 Ų | 63.6 | 73% | 0.728 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -44.9 | 172.8 | -178.5 | -177.6 | 176.9 | -150.8 | -1.3 | 111.3 | C99 I101 | R76-C99 WeakPolarHBondContact CB-O 3.41Å; R76-C99 PolarHBondContact N-O 3.48Å; R76-I101 HydrophobicContact CB-CG1 4.11Å |
| 77 | S | 92.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153 | -179.8 | 58.4 | 0 | 0 | 0 | 0 | 111 | I75 V98 C99 | I75-S77 WeakPolarHBondContact CG2-O 3.35Å; S77-V98 WeakPolarHBondContact O-CA 3.34Å; S77-C99 PolarHBondContact N-O 3.21Å; S77-C99 PolarHBondContact O-N 3.25Å; S77-C99 WeakPolarHBondContact OG-CB 3.3Å |
| 78 | C | 94.9 | Very high | 89.9 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.3 | 176 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | D66 P68 I75 E97 | D66-C78 PolarHBondContact O-SG 2.85Å; P68-C78 VanDerWaalsContact CD-SG 3.5Å; P68-C78 HydrophobicContact CG-CB 3.77Å; I75-C78 HydrophobicContact CG2-CB 4.39Å; C78-E97 CarbonylContact C-O 3.53Å; C78-E97 VanDerWaalsContact CA-O 3.3Å; C78-E97 WeakPolarHBondContact CA-O 3.5Å |
| 79 | A | 95 | Very high | 89.5 | Confident | 60 Ų | 60 | 72.4 Ų | 72.4 | 50% | 0.496 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R96 E97 | A79-R96 CarbonylContact O-C 3.54Å; A79-R96 VanDerWaalsContact O-CA 3.29Å; A79-R96 WeakPolarHBondContact O-CA 3.44Å; A79-E97 PolarHBondContact N-O 3.46Å; A79-E97 PolarHBondContact O-N 2.91Å |
| 80 | V | 95.2 | Very high | 89.4 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 22% | 0.224 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.4 | 172.6 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | F65 D66 L90 L95 R96 | F65-V80 HydrophobicContact CD1-CG2 4.29Å; D66-V80 HydrophobicContact CB-CG2 3.43Å; D66-V80 VanDerWaalsContact CB-CG2 3.43Å; V80-L90 HydrophobicContact CG1-CD2 4.48Å; V80-L90 HydrophobicContact CG2-CD2 4.36Å; V80-L95 CarbonylContact C-O 3.53Å; V80-L95 WeakPolarHBondContact CG1-O 3.32Å; V80-R96 HydrophobicContact CG2-CB 4.35Å |
| 81 | R | 93.7 | Very high | 89.4 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.6 | 175.6 | -66.8 | -168 | -176.5 | -177.6 | -0.6 | 109.5 | D83 R94 L95 E97 | R81-D83 PolarHBondContact O-N 3.26Å; R81-R94 PolarHBondContact O-NH2 3.01Å; R81-L95 HydrophobicContact CB-CB 4.26Å; R81-L95 HydrophobicContact CG-CB 4.08Å; R81-L95 PolarHBondContact N-O 3.33Å; R81-E97 IonicContact CZ-OE1 2.6Å; R81-E97 IonicContact NE-OE1 3.22Å; R81-E97 PolarHBondContact NE-OE1 2.9Å; R81-E97 IonicContact NH2-OE1 2.86Å; R81-E97 PolarHBondContact NH2-OE1 2.8Å |
| 82 | P | 90.6 | Very high | 89.5 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 81% | 0.805 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 139.3 | 171.5 | -22.6 | 32.8 | 0 | 0 | 0 | 110.8 | ||
| 83 | D | 87.2 | Confident | 89.6 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 19% | 0.193 | 44% | 0.438 | C | S | . | . | trans | -124.7 | 108.8 | 171.7 | 177.5 | -16.3 | 0 | 0 | 0 | 106.8 | R81 D85 A86 G87 R91 R94 | R81-D83 PolarHBondContact O-N 3.26Å; D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 PolarHBondContact OD1-N 3.32Å; D83-A86 HydrophobicContact CB-CB 3.84Å; D83-A86 VanDerWaalsContact CG-CB 3.44Å; D83-A86 PolarHBondContact O-N 3.42Å; D83-A86 PolarHBondContact OD1-N 2.91Å; D83-A86 VanDerWaalsContact OD1-N 3.17Å; D83-A86 VanDerWaalsContact OD2-CB 3.29Å; D83-A86 WeakPolarHBondContact OD2-CB 3.15Å; D83-G87 PolarHBondContact O-N 3.23Å; D83-R91 IonicContact OD1-NH2 3.01Å; D83-R91 IonicContact OD2-NE 2.67Å; D83-R91 IonicContact OD2-NH2 3.03Å; D83-R91 PolarHBondContact OD2-NH2 2.7Å; D83-R94 WeakPolarHBondContact OD2-CD 3.38Å | ||
| 84 | P | 84.2 | Confident | 90.1 | Very high | 125 Ų | 125 | 73.4 Ų | 73.4 | 81% | 0.812 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.6 | -175.8 | 25.3 | -32.2 | 0 | 0 | 0 | 112.8 | ||
| 85 | D | 86.6 | Confident | 90.6 | Very high | 138 Ų | 138 | 72.5 Ų | 72.5 | 74% | 0.738 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -18.5 | -179.5 | -60.3 | -37.5 | 0 | 0 | 0 | 112.5 | D83 | D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 PolarHBondContact OD1-N 3.32Å |
| 86 | A | 78.2 | Confident | 90.8 | Very high | 18 Ų | 18 | 71.5 Ų | 71.5 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -18.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D83 D88 A89 | D83-A86 HydrophobicContact CB-CB 3.84Å; D83-A86 VanDerWaalsContact CG-CB 3.44Å; D83-A86 PolarHBondContact O-N 3.42Å; D83-A86 PolarHBondContact OD1-N 2.91Å; D83-A86 VanDerWaalsContact OD1-N 3.17Å; D83-A86 VanDerWaalsContact OD2-CB 3.29Å; D83-A86 WeakPolarHBondContact OD2-CB 3.15Å; A86-D88 PolarHBondContact O-N 2.88Å; A86-A89 WeakPolarHBondContact O-CB 3.41Å; A86-A89 PolarHBondContact O-N 2.9Å |
| 87 | G | 83.9 | Confident | 91 | Very high | 39 Ų | 39 | 65 Ų | 65 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -131.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D83 A89 R94 | D83-G87 PolarHBondContact O-N 3.23Å; G87-A89 VanDerWaalsContact C-N 3.33Å; G87-A89 PolarHBondContact O-N 2.96Å; G87-R94 PolarHBondContact O-NH1 3.42Å; G87-R94 PolarHBondContact O-NH2 3.07Å |
| 88 | D | 83.1 | Confident | 91.1 | Very high | 162 Ų | 162 | 62.7 Ų | 62.7 | 87% | 0.866 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.4 | -176.6 | -61.7 | -30.8 | 0 | 0 | 0 | 113.9 | A86 L90 | A86-D88 PolarHBondContact O-N 2.88Å; D88-L90 PolarHBondContact O-N 3.3Å |
| 89 | A | 88.7 | Confident | 91 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | trans | -70.2 | 124.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A86 G87 R91 R94 | A86-A89 WeakPolarHBondContact O-CB 3.41Å; A86-A89 PolarHBondContact O-N 2.9Å; G87-A89 VanDerWaalsContact C-N 3.33Å; G87-A89 PolarHBondContact O-N 2.96Å; A89-R91 PolarHBondContact O-N 2.81Å; A89-R94 PolarHBondContact O-NH1 3.12Å | ||
| 90 | L | 92 | Very high | 90.6 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | trans | -74.9 | 114.9 | 170.1 | -62.7 | -179.7 | 0 | 0 | 0 | 109.2 | F65 D66 V80 D88 L113 L116 | F65-L90 HydrophobicContact CB-CD1 4.04Å; F65-L90 HydrophobicContact CB-CD2 4.21Å; F65-L90 HydrophobicContact CD1-CD2 4.26Å; D66-L90 HydrophobicContact CB-CD2 4.48Å; V80-L90 HydrophobicContact CG1-CD2 4.48Å; V80-L90 HydrophobicContact CG2-CD2 4.36Å; D88-L90 PolarHBondContact O-N 3.3Å; L90-L113 HydrophobicContact CB-CD2 4.33Å; L90-L116 HydrophobicContact CB-CD2 3.8Å; L90-L116 WeakPolarHBondContact O-CD2 3.47Å | ||
| 91 | R | 93.7 | Very high | 90 | Very high | 109 Ų | 109 | 64 Ų | 64 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | trans | -142.5 | 158.6 | 175.9 | 66.3 | 176.6 | -176.8 | -169.6 | -2.2 | 110.1 | D83 A89 G93 R94 L113 | D83-R91 IonicContact OD1-NH2 3.01Å; D83-R91 IonicContact OD2-NE 2.67Å; D83-R91 IonicContact OD2-NH2 3.03Å; D83-R91 PolarHBondContact OD2-NH2 2.7Å; A89-R91 PolarHBondContact O-N 2.81Å; R91-G93 PolarHBondContact O-N 2.75Å; R91-R94 HydrophobicContact CG-CG 4.19Å; R91-R94 WeakPolarHBondContact O-CB 3.41Å; R91-R94 WeakPolarHBondContact O-CG 3.46Å; R91-R94 PolarHBondContact O-N 3.37Å; R91-L113 WeakPolarHBondContact O-CD2 3.37Å | ||
| 92 | P | 95.6 | Very high | 88.9 | Confident | 75 Ų | 75 | 64 Ų | 64 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 139.1 | 171.9 | -30.1 | 37.4 | 0 | 0 | 0 | 112.6 | L113 | P92-L113 CarbonylContact C-O 3.56Å; P92-L113 WeakPolarHBondContact CA-O 3.47Å |
| 93 | G | 95.1 | Very high | 88 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -17.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | R91 L113 | R91-G93 PolarHBondContact O-N 2.75Å; G93-L113 PolarHBondContact N-O 2.89Å |
| 94 | R | 94.8 | Very high | 87.2 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | trans | -62.7 | 140.9 | 176.7 | -68.2 | -62.9 | -61.1 | -93.8 | 12 | 111.3 | F65 R81 D83 G87 A89 R91 R112 L113 | F65-R94 HydrophobicContact CE1-CB 4.45Å; R81-R94 PolarHBondContact O-NH2 3.01Å; D83-R94 WeakPolarHBondContact OD2-CD 3.38Å; G87-R94 PolarHBondContact O-NH1 3.42Å; G87-R94 PolarHBondContact O-NH2 3.07Å; A89-R94 PolarHBondContact O-NH1 3.12Å; R91-R94 HydrophobicContact CG-CG 4.19Å; R91-R94 WeakPolarHBondContact O-CB 3.41Å; R91-R94 WeakPolarHBondContact O-CG 3.46Å; R91-R94 PolarHBondContact O-N 3.37Å; R94-R112 CarbonylContact O-C 3.5Å; R94-R112 WeakPolarHBondContact O-CA 3.47Å; R94-L113 HydrophobicContact CB-CB 4.41Å; R94-L113 PolarHBondContact O-N 2.8Å | ||
| 95 | L | 95.6 | Very high | 86.4 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.251 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.7 | 177.4 | -63.9 | 176.5 | 0 | 0 | 0 | 110.9 | V80 R81 E111 R112 | V80-L95 CarbonylContact C-O 3.53Å; V80-L95 WeakPolarHBondContact CG1-O 3.32Å; R81-L95 HydrophobicContact CB-CB 4.26Å; R81-L95 HydrophobicContact CG-CB 4.08Å; R81-L95 PolarHBondContact N-O 3.33Å; L95-E111 CarbonylContact C-O 3.53Å; L95-E111 VanDerWaalsContact CA-O 3.25Å; L95-E111 WeakPolarHBondContact CA-O 3.5Å; L95-R112 HydrophobicContact CD2-CB 3.6Å; L95-R112 HydrophobicContact CD2-CG 3.84Å |
| 96 | R | 96 | Very high | 85.9 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147 | 167.7 | 69.6 | -177.4 | -173.6 | -172.8 | 3.7 | 111.2 | F65 A79 V80 V98 T110 E111 | F65-R96 HydrophobicContact CD1-CB 4.36Å; F65-R96 HydrophobicContact CE1-CB 3.66Å; F65-R96 HydrophobicContact CE1-CG 3.73Å; F65-R96 VanDerWaalsContact CE2-CD 3.49Å; F65-R96 HydrophobicContact CE2-CG 3.94Å; F65-R96 HydrophobicContact CZ-CB 3.89Å; F65-R96 VanDerWaalsContact CZ-CD 3.48Å; F65-R96 HydrophobicContact CZ-CG 3.41Å; F65-R96 VanDerWaalsContact CZ-CG 3.41Å; F65-R96 WeakPolarHBondContact O-CD 3.31Å; F65-R96 PolarHBondContact O-NH1 2.9Å; A79-R96 CarbonylContact O-C 3.54Å; A79-R96 VanDerWaalsContact O-CA 3.29Å; A79-R96 WeakPolarHBondContact O-CA 3.44Å; V80-R96 HydrophobicContact CG2-CB 4.35Å; R96-V98 HydrophobicContact CG-CG2 3.98Å; R96-T110 WeakPolarHBondContact O-CA 3.26Å; R96-E111 HydrophobicContact CG-CB 3.87Å; R96-E111 IonicContact CZ-OE2 2.81Å; R96-E111 PolarHBondContact N-O 2.84Å; R96-E111 IonicContact NE-OE2 3.3Å; R96-E111 PolarHBondContact NE-OE2 2.91Å; R96-E111 IonicContact NH2-OE2 3.69Å; R96-E111 PolarHBondContact NH2-OE2 3.04Å; R96-E111 PolarHBondContact O-N 2.85Å |
| 97 | E | 95.3 | Very high | 86.1 | Confident | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128 | 164.9 | -61.4 | -52.5 | 149.6 | 0 | 0 | 109.8 | C78 A79 R81 T110 | C78-E97 CarbonylContact C-O 3.53Å; C78-E97 VanDerWaalsContact CA-O 3.3Å; C78-E97 WeakPolarHBondContact CA-O 3.5Å; A79-E97 PolarHBondContact N-O 3.46Å; A79-E97 PolarHBondContact O-N 2.91Å; R81-E97 IonicContact CZ-OE1 2.6Å; R81-E97 IonicContact NE-OE1 3.22Å; R81-E97 PolarHBondContact NE-OE1 2.9Å; R81-E97 IonicContact NH2-OE1 2.86Å; R81-E97 PolarHBondContact NH2-OE1 2.8Å; E97-T110 PolarHBondContact OE1-OG1 2.85Å; E97-T110 PolarHBondContact OE2-OG1 3.11Å |
| 98 | V | 94.4 | Very high | 86.4 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.7 | 179.3 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | I75 S77 R96 T108 S109 | I75-V98 HydrophobicContact CB-CG1 4.17Å; I75-V98 HydrophobicContact CD1-CG1 3.71Å; I75-V98 HydrophobicContact CG1-CG1 3.6Å; I75-V98 HydrophobicContact CG2-CG1 3.7Å; S77-V98 WeakPolarHBondContact O-CA 3.34Å; R96-V98 HydrophobicContact CG-CG2 3.98Å; V98-T108 CarbonylContact O-C 3.57Å; V98-T108 VanDerWaalsContact O-CA 3.23Å; V98-T108 WeakPolarHBondContact O-CA 3.47Å; V98-S109 PolarHBondContact N-O 3.13Å; V98-S109 PolarHBondContact O-N 3.26Å |
| 99 | C | 91.6 | Very high | 86.8 | Confident | 46 Ų | 46 | 52 Ų | 52 | 31% | 0.311 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.3 | 168.5 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | R76 S77 | R76-C99 WeakPolarHBondContact CB-O 3.41Å; R76-C99 PolarHBondContact N-O 3.48Å; S77-C99 PolarHBondContact N-O 3.21Å; S77-C99 PolarHBondContact O-N 3.25Å; S77-C99 WeakPolarHBondContact OG-CB 3.3Å |
| 100 | V | 87 | Confident | 87.1 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 152.6 | -179 | 178.8 | 0 | 0 | 0 | 0 | 110 | F74 L104 A106 S107 | F74-V100 HydrophobicContact CB-CG1 4.48Å; F74-V100 CarbonylContact O-C 3.55Å; F74-V100 VanDerWaalsContact O-CA 3.26Å; F74-V100 WeakPolarHBondContact O-CA 3.17Å; F74-V100 WeakPolarHBondContact O-CG1 3.46Å; V100-L104 HydrophobicContact CG1-CB 3.91Å; V100-L104 HydrophobicContact CG1-CD1 3.41Å; V100-L104 VanDerWaalsContact CG1-CD1 3.41Å; V100-L104 HydrophobicContact CG1-CG 4.29Å; V100-A106 WeakPolarHBondContact CB-O 3.44Å; V100-A106 HydrophobicContact CG1-CB 4.48Å; V100-A106 WeakPolarHBondContact CG1-O 3.37Å; V100-A106 HydrophobicContact CG2-CB 4.27Å; V100-S107 PolarHBondContact N-O 2.92Å |
| 101 | I | 83.6 | Confident | 87.4 | Confident | 73 Ų | 73 | 49.2 Ų | 49.2 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 140.4 | 175.3 | -64.3 | 176.6 | 0 | 0 | 0 | 110.4 | H73 F74 R76 | H73-I101 WeakPolarHBondContact O-CD1 3.46Å; F74-I101 PolarHBondContact O-N 2.86Å; R76-I101 HydrophobicContact CB-CG1 4.11Å |
| 102 | S | 69.2 | Low | 87.5 | Confident | 114 Ų | 114 | 49.1 Ų | 49.1 | 80% | 0.797 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 143.7 | 177.8 | 54 | 0 | 0 | 0 | 0 | 112.8 | ||
| 103 | G | 72.2 | Confident | 87.6 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 87% | 0.866 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -4.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 104 | L | 70.8 | Confident | 87.8 | Confident | 64 Ų | 64 | 45 Ų | 45 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -89.9 | 157.4 | 168.4 | -69 | 170.5 | 0 | 0 | 0 | 111.1 | F74 V100 A106 | F74-L104 HydrophobicContact CB-CD1 3.67Å; F74-L104 HydrophobicContact CD1-CD1 3.49Å; F74-L104 VanDerWaalsContact CD1-CD1 3.49Å; F74-L104 HydrophobicContact CD1-CD2 4.49Å; F74-L104 HydrophobicContact CE1-CD1 4.29Å; F74-L104 HydrophobicContact CG-CD1 3.74Å; V100-L104 HydrophobicContact CG1-CB 3.91Å; V100-L104 HydrophobicContact CG1-CD1 3.41Å; V100-L104 VanDerWaalsContact CG1-CD1 3.41Å; V100-L104 HydrophobicContact CG1-CG 4.29Å; L104-A106 PolarHBondContact O-N 2.97Å |
| 105 | P | 67.4 | Low | 87.9 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -64.8 | -1 | 176.6 | -19 | 31.4 | 0 | 0 | 0 | 114.7 | ||
| 106 | A | 75.7 | Confident | 88 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | trans | -124.3 | 141.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V100 L104 E131 H132 | V100-A106 WeakPolarHBondContact CB-O 3.44Å; V100-A106 HydrophobicContact CG1-CB 4.48Å; V100-A106 WeakPolarHBondContact CG1-O 3.37Å; V100-A106 HydrophobicContact CG2-CB 4.27Å; L104-A106 PolarHBondContact O-N 2.97Å; A106-E131 WeakPolarHBondContact CA-O 3.13Å; A106-E131 WeakPolarHBondContact CB-O 3.49Å; A106-H132 HydrophobicContact CB-CB 3.76Å | ||
| 107 | S | 82.5 | Confident | 88.1 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -105.9 | -41.8 | 175.5 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | V100 E131 | V100-S107 PolarHBondContact N-O 2.92Å; S107-E131 WeakPolarHBondContact CB-OE2 3.42Å; S107-E131 PolarHBondContact N-O 2.8Å; S107-E131 WeakPolarHBondContact OG-CB 3.36Å; S107-E131 PolarHBondContact OG-OE2 2.75Å |
| 108 | T | 90 | Very high | 88.2 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152 | -171.2 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | V98 G130 E131 H132 | V98-T108 CarbonylContact O-C 3.57Å; V98-T108 VanDerWaalsContact O-CA 3.23Å; V98-T108 WeakPolarHBondContact O-CA 3.47Å; T108-G130 CarbonylContact O-C 3.57Å; T108-G130 WeakPolarHBondContact O-CA 3.29Å; T108-E131 PolarHBondContact O-N 2.81Å; T108-H132 PolarHBondContact O-CD2 3.31Å |
| 109 | S | 92.6 | Very high | 88.3 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.035 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.4 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | V98 E111 | V98-S109 PolarHBondContact N-O 3.13Å; V98-S109 PolarHBondContact O-N 3.26Å; S109-E111 WeakPolarHBondContact OG-CG 3.38Å; S109-E111 PolarHBondContact OG-OE1 2.81Å |
| 110 | T | 95.1 | Very high | 88.5 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.9 | 170.3 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | R96 E97 T128 G129 | R96-T110 WeakPolarHBondContact O-CA 3.26Å; E97-T110 PolarHBondContact OE1-OG1 2.85Å; E97-T110 PolarHBondContact OE2-OG1 3.11Å; T110-T128 WeakPolarHBondContact CG2-OG1 3.44Å; T110-T128 PolarHBondContact O-N 2.96Å; T110-T128 PolarHBondContact O-OG1 3.24Å; T110-G129 PolarHBondContact N-O 2.86Å; T110-G129 PolarHBondContact O-N 3.39Å |
| 111 | E | 96.6 | Very high | 89.1 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.065 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.3 | -172.1 | -57.1 | 178 | -173.5 | 0 | 0 | 111.2 | L95 R96 S109 F125 S126 I127 | L95-E111 CarbonylContact C-O 3.53Å; L95-E111 VanDerWaalsContact CA-O 3.25Å; L95-E111 WeakPolarHBondContact CA-O 3.5Å; R96-E111 HydrophobicContact CG-CB 3.87Å; R96-E111 IonicContact CZ-OE2 2.81Å; R96-E111 PolarHBondContact N-O 2.84Å; R96-E111 IonicContact NE-OE2 3.3Å; R96-E111 PolarHBondContact NE-OE2 2.91Å; R96-E111 IonicContact NH2-OE2 3.69Å; R96-E111 PolarHBondContact NH2-OE2 3.04Å; R96-E111 PolarHBondContact O-N 2.85Å; S109-E111 WeakPolarHBondContact OG-CG 3.38Å; S109-E111 PolarHBondContact OG-OE1 2.81Å; E111-F125 HydrophobicContact CB-CD2 4.08Å; E111-F125 HydrophobicContact CG-CD2 4.24Å; E111-F125 HydrophobicContact CG-CE2 4.38Å; E111-F125 WeakPolarHBondContact OE2-CD2 3.15Å; E111-F125 VanDerWaalsContact OE2-CE2 3.29Å; E111-F125 WeakPolarHBondContact OE2-CE2 3.47Å; E111-S126 CarbonylContact C-O 3.54Å; E111-S126 VanDerWaalsContact CA-O 3.27Å; E111-S126 WeakPolarHBondContact CA-O 3.2Å; E111-I127 HydrophobicContact CG-CG1 4.16Å |
| 112 | R | 97.2 | Very high | 89.8 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 40% | 0.404 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.8 | 178.2 | -172.1 | -180 | 66.8 | -164.8 | -4.7 | 110.5 | R94 L95 D114 F125 S126 T128 | R94-R112 CarbonylContact O-C 3.5Å; R94-R112 WeakPolarHBondContact O-CA 3.47Å; L95-R112 HydrophobicContact CD2-CB 3.6Å; L95-R112 HydrophobicContact CD2-CG 3.84Å; R112-D114 IonicContact CZ-OD1 3.32Å; R112-D114 VanDerWaalsContact CZ-OD1 3.32Å; R112-D114 IonicContact NE-OD1 2.84Å; R112-D114 PolarHBondContact NE-OD1 3.1Å; R112-D114 IonicContact NH2-OD1 2.93Å; R112-D114 PolarHBondContact NH2-OD1 3.42Å; R112-D114 PolarHBondContact O-N 2.68Å; R112-F125 CarbonylContact O-C 3.6Å; R112-F125 WeakPolarHBondContact O-CA 3.48Å; R112-F125 VanDerWaalsContact O-CB 3.24Å; R112-F125 WeakPolarHBondContact O-CB 3.35Å; R112-S126 PolarHBondContact N-O 3.47Å; R112-S126 PolarHBondContact NH2-OG 3.36Å; R112-S126 PolarHBondContact O-N 3.37Å; R112-T128 HydrophobicContact CB-CG2 3.77Å |
| 113 | L | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 114.7 | 169.3 | -176.4 | 58 | 0 | 0 | 0 | 108.8 | F65 L90 R91 P92 G93 R94 H115 L116 F123 | F65-L113 HydrophobicContact CB-CD1 4.39Å; F65-L113 HydrophobicContact CB-CD2 4.33Å; F65-L113 HydrophobicContact CD1-CB 4.11Å; F65-L113 HydrophobicContact CD1-CD2 4.36Å; F65-L113 HydrophobicContact CD2-CB 4.12Å; F65-L113 HydrophobicContact CD2-CD1 3.9Å; F65-L113 HydrophobicContact CD2-CG 4.49Å; F65-L113 HydrophobicContact CE1-CB 3.92Å; F65-L113 HydrophobicContact CE2-CB 3.95Å; F65-L113 HydrophobicContact CE2-CD1 4.38Å; F65-L113 HydrophobicContact CG-CB 4.19Å; F65-L113 HydrophobicContact CG-CD1 4.15Å; F65-L113 HydrophobicContact CG-CD2 4.25Å; F65-L113 HydrophobicContact CG-CG 4.45Å; F65-L113 HydrophobicContact CZ-CB 3.83Å; L90-L113 HydrophobicContact CB-CD2 4.33Å; R91-L113 WeakPolarHBondContact O-CD2 3.37Å; P92-L113 CarbonylContact C-O 3.56Å; P92-L113 WeakPolarHBondContact CA-O 3.47Å; G93-L113 PolarHBondContact N-O 2.89Å; R94-L113 HydrophobicContact CB-CB 4.41Å; R94-L113 PolarHBondContact O-N 2.8Å; L113-H115 WeakPolarHBondContact CD1-O 3.34Å; L113-L116 HydrophobicContact CD1-CB 4.31Å; L113-L116 HydrophobicContact CD2-CB 4.17Å; L113-L116 HydrophobicContact CD2-CD2 4.14Å; L113-L116 HydrophobicContact CG-CB 4.46Å; L113-F123 HydrophobicContact CD1-CD2 3.96Å; L113-F123 HydrophobicContact CD1-CE2 3.62Å; L113-F123 HydrophobicContact CD1-CZ 4.49Å |
| 114 | D | 98 | Very high | 92.4 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -38.1 | -179.8 | -64.3 | -43.3 | 0 | 0 | 0 | 111.4 | R112 G124 S126 | R112-D114 IonicContact CZ-OD1 3.32Å; R112-D114 VanDerWaalsContact CZ-OD1 3.32Å; R112-D114 IonicContact NE-OD1 2.84Å; R112-D114 PolarHBondContact NE-OD1 3.1Å; R112-D114 IonicContact NH2-OD1 2.93Å; R112-D114 PolarHBondContact NH2-OD1 3.42Å; R112-D114 PolarHBondContact O-N 2.68Å; D114-G124 PolarHBondContact N-O 3.15Å; D114-S126 VanDerWaalsContact CG-OG 3.28Å; D114-S126 PolarHBondContact OD1-OG 3.47Å; D114-S126 VanDerWaalsContact OD1-OG 3.11Å; D114-S126 WeakPolarHBondContact OD2-CB 3.12Å; D114-S126 PolarHBondContact OD2-N 3.48Å; D114-S126 PolarHBondContact OD2-OG 2.77Å |
| 115 | H | 97.2 | Very high | 93.7 | Very high | 105 Ų | 105 | 44.1 Ų | 44.1 | 49% | 0.486 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.7 | -179.3 | -58.9 | -72.9 | 0 | 0 | 0 | 111.3 | L113 V122 F123 G124 | L113-H115 WeakPolarHBondContact CD1-O 3.34Å; H115-V122 HydrophobicContact CB-CG1 4.47Å; H115-F123 CarbonylContact O-C 3.57Å; H115-F123 WeakPolarHBondContact O-CA 3.34Å; H115-G124 PolarHBondContact N-O 3.39Å; H115-G124 PolarHBondContact O-N 2.89Å |
| 116 | L | 97.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 91.7 | 169.3 | -174.7 | 66.4 | 0 | 0 | 0 | 108.6 | W59 R63 L90 L113 V122 F123 | W59-L116 HydrophobicContact CH2-CD1 4.28Å; W59-L116 HydrophobicContact CZ2-CD1 4.08Å; R63-L116 HydrophobicContact CB-CD1 3.98Å; L90-L116 HydrophobicContact CB-CD2 3.8Å; L90-L116 WeakPolarHBondContact O-CD2 3.47Å; L113-L116 HydrophobicContact CD1-CB 4.31Å; L113-L116 HydrophobicContact CD2-CB 4.17Å; L113-L116 HydrophobicContact CD2-CD2 4.14Å; L113-L116 HydrophobicContact CG-CB 4.46Å; L116-V122 WeakPolarHBondContact CA-O 3.28Å; L116-F123 HydrophobicContact CD1-CD2 4.22Å |
| 117 | D | 97.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 40% | 0.401 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 106.1 | 177.8 | -172 | -29.1 | 0 | 0 | 0 | 109.1 | W59 A119 A120 R121 V122 | W59-D117 WeakPolarHBondContact CZ2-O 3.44Å; D117-A119 VanDerWaalsContact C-N 3.33Å; D117-A119 WeakPolarHBondContact OD1-CA 3.47Å; D117-A119 WeakPolarHBondContact OD1-CB 3.41Å; D117-A119 PolarHBondContact OD1-N 3.27Å; D117-A120 HydrophobicContact CB-CB 4.27Å; D117-A120 PolarHBondContact OD1-N 3.11Å; D117-R121 CarbonylContact O-C 3.51Å; D117-R121 WeakPolarHBondContact O-CA 3.49Å; D117-R121 PolarHBondContact O-N 2.94Å; D117-V122 HydrophobicContact CB-CB 4.23Å; D117-V122 PolarHBondContact N-O 3.21Å; D117-V122 PolarHBondContact O-N 2.95Å |
| 118 | D | 97.5 | Very high | 96.7 | Very high | 77 Ų | 77 | 40.2 Ų | 40.2 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27.2 | 179.9 | -78.2 | -49.9 | 0 | 0 | 0 | 113.3 | W59 R63 | W59-D118 PolarHBondContact NE1-OD1 3.48Å; R63-D118 IonicContact CZ-OD1 3.2Å; R63-D118 IonicContact CZ-OD2 3.08Å; R63-D118 IonicContact NE-OD1 3.42Å; R63-D118 PolarHBondContact NE-OD1 3.4Å; R63-D118 IonicContact NE-OD2 3.69Å; R63-D118 IonicContact NH2-OD1 3.21Å; R63-D118 PolarHBondContact NH2-OD1 2.95Å; R63-D118 IonicContact NH2-OD2 3.86Å; R63-D118 PolarHBondContact NH2-OD2 3.44Å |
| 119 | A | 96.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 74% | 0.736 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -47.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D117 R121 | D117-A119 VanDerWaalsContact C-N 3.33Å; D117-A119 WeakPolarHBondContact OD1-CA 3.47Å; D117-A119 WeakPolarHBondContact OD1-CB 3.41Å; D117-A119 PolarHBondContact OD1-N 3.27Å; A119-R121 VanDerWaalsContact C-N 3.34Å |
| 120 | A | 96.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 41 Ų | 41 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -10.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D117 V122 | D117-A120 HydrophobicContact CB-CB 4.27Å; D117-A120 PolarHBondContact OD1-N 3.11Å; A120-V122 HydrophobicContact CB-CG2 3.74Å |
| 121 | R | 98.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 46.3 Ų | 46.3 | 28% | 0.275 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 52.4 | -174.7 | -61.8 | 178.9 | -68.5 | -78.8 | -0.7 | 112.4 | W59 D117 A119 T142 V143 | W59-R121 HydrophobicContact CB-CG 4.13Å; W59-R121 HydrophobicContact CD2-CB 3.71Å; W59-R121 HydrophobicContact CD2-CG 3.79Å; W59-R121 HydrophobicContact CE3-CB 3.75Å; W59-R121 HydrophobicContact CE3-CG 4.33Å; W59-R121 HydrophobicContact CG-CB 4.1Å; W59-R121 HydrophobicContact CG-CG 3.65Å; W59-R121 VanDerWaalsContact CZ3-C 3.41Å; W59-R121 HydrophobicContact CZ3-CB 4.22Å; W59-R121 WeakPolarHBondContact CZ3-O 3.32Å; D117-R121 CarbonylContact O-C 3.51Å; D117-R121 WeakPolarHBondContact O-CA 3.49Å; D117-R121 PolarHBondContact O-N 2.94Å; A119-R121 VanDerWaalsContact C-N 3.34Å; R121-T142 WeakPolarHBondContact O-CA 3.33Å; R121-V143 HydrophobicContact CB-CB 4.06Å; R121-V143 PolarHBondContact NE-O 2.95Å; R121-V143 PolarHBondContact O-N 2.54Å; R121-V143 VanDerWaalsContact O-N 3.11Å |
| 122 | V | 98.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.2 | 179.5 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | W59 H115 L116 D117 A120 V140 T142 | W59-V122 VanDerWaalsContact CH2-C 3.4Å; W59-V122 WeakPolarHBondContact CH2-O 3.46Å; H115-V122 HydrophobicContact CB-CG1 4.47Å; L116-V122 WeakPolarHBondContact CA-O 3.28Å; D117-V122 HydrophobicContact CB-CB 4.23Å; D117-V122 PolarHBondContact N-O 3.21Å; D117-V122 PolarHBondContact O-N 2.95Å; A120-V122 HydrophobicContact CB-CG2 3.74Å; V122-V140 HydrophobicContact CG1-CG1 3.96Å; V122-T142 HydrophobicContact CB-CG2 4.37Å; V122-T142 HydrophobicContact CG1-CG2 4.11Å; V122-T142 HydrophobicContact CG2-CG2 3.96Å |
| 123 | F | 98.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.5 | 175.4 | 170.6 | -97.1 | 0 | 0 | 0 | 108.6 | W59 V62 F65 L113 H115 L116 F125 V140 T141 | W59-F123 HydrophobicContact CH2-CB 3.69Å; W59-F123 HydrophobicContact CZ3-CB 3.74Å; V62-F123 HydrophobicContact CG1-CB 3.99Å; V62-F123 HydrophobicContact CG1-CD1 4.41Å; V62-F123 HydrophobicContact CG1-CG 4.32Å; F65-F123 HydrophobicContact CB-CE2 4Å; F65-F123 AromaticContact CD2-CE2 3.8Å; F65-F123 HydrophobicContact CD2-CE2 3.8Å; F65-F123 AromaticContact CD2-CZ 3.78Å; F65-F123 HydrophobicContact CD2-CZ 3.78Å; F65-F123 HydrophobicContact CG-CE2 4.37Å; L113-F123 HydrophobicContact CD1-CD2 3.96Å; L113-F123 HydrophobicContact CD1-CE2 3.62Å; L113-F123 HydrophobicContact CD1-CZ 4.49Å; H115-F123 CarbonylContact O-C 3.57Å; H115-F123 WeakPolarHBondContact O-CA 3.34Å; L116-F123 HydrophobicContact CD1-CD2 4.22Å; F123-F125 HydrophobicContact CD1-CD1 4.48Å; F123-F125 AromaticContact CE1-CD1 3.58Å; F123-F125 HydrophobicContact CE1-CD1 3.58Å; F123-F125 HydrophobicContact CE1-CE1 4.2Å; F123-F125 HydrophobicContact CE1-CG 4.48Å; F123-F125 HydrophobicContact CZ-CD1 4.09Å; F123-V140 CarbonylContact O-C 3.49Å; F123-V140 WeakPolarHBondContact O-CA 3.14Å; F123-T141 PolarHBondContact N-O 3.46Å; F123-T141 PolarHBondContact O-N 2.9Å |
| 124 | G | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 144.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D114 H115 S139 | D114-G124 PolarHBondContact N-O 3.15Å; H115-G124 PolarHBondContact N-O 3.39Å; H115-G124 PolarHBondContact O-N 2.89Å; G124-S139 CarbonylContact C-O 3.54Å; G124-S139 WeakPolarHBondContact CA-O 3.41Å |
| 125 | F | 98.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.9 | 179 | 75.4 | -79.6 | 0 | 0 | 0 | 111.3 | F65 E111 R112 F123 I127 Y137 S139 | F65-F125 HydrophobicContact CE2-CB 4.08Å; E111-F125 HydrophobicContact CB-CD2 4.08Å; E111-F125 HydrophobicContact CG-CD2 4.24Å; E111-F125 HydrophobicContact CG-CE2 4.38Å; E111-F125 WeakPolarHBondContact OE2-CD2 3.15Å; E111-F125 VanDerWaalsContact OE2-CE2 3.29Å; E111-F125 WeakPolarHBondContact OE2-CE2 3.47Å; R112-F125 CarbonylContact O-C 3.6Å; R112-F125 WeakPolarHBondContact O-CA 3.48Å; R112-F125 VanDerWaalsContact O-CB 3.24Å; R112-F125 WeakPolarHBondContact O-CB 3.35Å; F123-F125 HydrophobicContact CD1-CD1 4.48Å; F123-F125 AromaticContact CE1-CD1 3.58Å; F123-F125 HydrophobicContact CE1-CD1 3.58Å; F123-F125 HydrophobicContact CE1-CE1 4.2Å; F123-F125 HydrophobicContact CE1-CG 4.48Å; F123-F125 HydrophobicContact CZ-CD1 4.09Å; F125-I127 HydrophobicContact CE2-CG1 4.34Å; F125-Y137 HydrophobicContact CE2-CD1 4.38Å; F125-Y137 HydrophobicContact CE2-CE1 4.11Å; F125-Y137 AromaticContact CZ-CE1 3.87Å; F125-Y137 HydrophobicContact CZ-CE1 3.87Å; F125-S139 PolarHBondContact N-O 3.03Å; F125-S139 PolarHBondContact O-N 2.9Å |
| 126 | S | 97.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.6 | 173.7 | 46.2 | 0 | 0 | 0 | 0 | 110.4 | E111 R112 D114 Y137 | E111-S126 CarbonylContact C-O 3.54Å; E111-S126 VanDerWaalsContact CA-O 3.27Å; E111-S126 WeakPolarHBondContact CA-O 3.2Å; R112-S126 PolarHBondContact N-O 3.47Å; R112-S126 PolarHBondContact NH2-OG 3.36Å; R112-S126 PolarHBondContact O-N 3.37Å; D114-S126 VanDerWaalsContact CG-OG 3.28Å; D114-S126 PolarHBondContact OD1-OG 3.47Å; D114-S126 VanDerWaalsContact OD1-OG 3.11Å; D114-S126 WeakPolarHBondContact OD2-CB 3.12Å; D114-S126 PolarHBondContact OD2-N 3.48Å; D114-S126 PolarHBondContact OD2-OG 2.77Å; S126-Y137 CarbonylContact C-O 3.59Å; S126-Y137 VanDerWaalsContact CA-O 3.23Å; S126-Y137 WeakPolarHBondContact CA-O 3.47Å; S126-Y137 WeakPolarHBondContact CB-O 3.4Å |
| 127 | I | 95.5 | Very high | 94.1 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.7 | 170.8 | -51.6 | 176.9 | 0 | 0 | 0 | 108.6 | E111 F125 G129 H132 L134 Y137 | E111-I127 HydrophobicContact CG-CG1 4.16Å; F125-I127 HydrophobicContact CE2-CG1 4.34Å; I127-G129 WeakPolarHBondContact CG2-O 3.42Å; I127-H132 WeakPolarHBondContact CG2-CE1 3.46Å; I127-H132 WeakPolarHBondContact CG2-NE2 3.41Å; I127-L134 HydrophobicContact CD1-CB 4.34Å; I127-L134 HydrophobicContact CD1-CD1 4.49Å; I127-Y137 HydrophobicContact CD1-CD1 3.78Å; I127-Y137 HydrophobicContact CD1-CG 3.82Å; I127-Y137 HydrophobicContact CG1-CD1 3.81Å; I127-Y137 HydrophobicContact CG1-CG 4.18Å; I127-Y137 PolarHBondContact N-O 3.43Å |
| 128 | T | 94.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 57 Ų | 57 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -13 | -175.2 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | T110 R112 | T110-T128 WeakPolarHBondContact CG2-OG1 3.44Å; T110-T128 PolarHBondContact O-N 2.96Å; T110-T128 PolarHBondContact O-OG1 3.24Å; R112-T128 HydrophobicContact CB-CG2 3.77Å |
| 129 | G | 91.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T110 I127 H132 | T110-G129 PolarHBondContact N-O 2.86Å; T110-G129 PolarHBondContact O-N 3.39Å; I127-G129 WeakPolarHBondContact CG2-O 3.42Å; G129-H132 PolarHBondContact O-NE2 3.35Å |
| 130 | G | 88.6 | Confident | 94.2 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 41% | 0.412 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 129.4 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T108 H132 | T108-G130 CarbonylContact O-C 3.57Å; T108-G130 WeakPolarHBondContact O-CA 3.29Å; G130-H132 PolarHBondContact O-N 3.27Å |
| 131 | E | 86.3 | Confident | 94.3 | Very high | 130 Ų | 130 | 47.7 Ų | 47.7 | 61% | 0.607 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -93.8 | 75.4 | 177.3 | -66.5 | -175.3 | -178.7 | 0 | 0 | 109.7 | A106 S107 T108 | A106-E131 WeakPolarHBondContact CA-O 3.13Å; A106-E131 WeakPolarHBondContact CB-O 3.49Å; S107-E131 WeakPolarHBondContact CB-OE2 3.42Å; S107-E131 PolarHBondContact N-O 2.8Å; S107-E131 WeakPolarHBondContact OG-CB 3.36Å; S107-E131 PolarHBondContact OG-OE2 2.75Å; T108-E131 PolarHBondContact O-N 2.81Å |
| 132 | H | 85.4 | Confident | 94.3 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -157.4 | 172.3 | 173.2 | 58.6 | 73.5 | 0 | 0 | 0 | 110.5 | A106 T108 I127 G129 G130 L134 | A106-H132 HydrophobicContact CB-CB 3.76Å; T108-H132 PolarHBondContact O-CD2 3.31Å; I127-H132 WeakPolarHBondContact CG2-CE1 3.46Å; I127-H132 WeakPolarHBondContact CG2-NE2 3.41Å; G129-H132 PolarHBondContact O-NE2 3.35Å; G130-H132 PolarHBondContact O-N 3.27Å; H132-L134 PolarHBondContact ND1-N 3.34Å |
| 133 | R | 85.9 | Confident | 94.3 | Very high | 134 Ų | 134 | 44 Ų | 44 | 51% | 0.506 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -95.9 | -7.9 | -175.2 | -52.1 | -177.1 | 82.2 | -154.7 | 2.8 | 114.6 | R135 P164 D165 N167 | R133-R135 VanDerWaalsContact C-N 3.25Å; R133-R135 PolarHBondContact O-N 2.8Å; R133-P164 HydrophobicContact CB-CB 3.94Å; R133-P164 HydrophobicContact CB-CG 3.89Å; R133-D165 PolarHBondContact NH2-O 2.84Å; R133-N167 PolarHBondContact NH1-OD1 2.6Å |
| 134 | L | 90.1 | Very high | 94.3 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | trans | -74.2 | 65.4 | -178.6 | -54.8 | -179.4 | 0 | 0 | 0 | 113.2 | I127 H132 Y137 V161 F175 | I127-L134 HydrophobicContact CD1-CB 4.34Å; I127-L134 HydrophobicContact CD1-CD1 4.49Å; H132-L134 PolarHBondContact ND1-N 3.34Å; L134-Y137 HydrophobicContact CD1-CD2 4.37Å; L134-V161 HydrophobicContact CB-CG2 4.03Å; L134-V161 HydrophobicContact CD2-CG2 4.22Å; L134-F175 HydrophobicContact CD1-CE1 4.35Å; L134-F175 HydrophobicContact CD2-CD1 4.39Å; L134-F175 HydrophobicContact CD2-CE1 4.36Å | ||
| 135 | R | 90.4 | Very high | 94.2 | Very high | 130 Ų | 130 | 50 Ų | 50 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 144 | 178.1 | -67.1 | -173.9 | -69.6 | -146 | -3.4 | 110.8 | R133 Y137 V161 D162 D165 | R133-R135 VanDerWaalsContact C-N 3.25Å; R133-R135 PolarHBondContact O-N 2.8Å; R135-Y137 PolarHBondContact O-N 2.82Å; R135-V161 WeakPolarHBondContact O-CG2 3.23Å; R135-D162 HydrophobicContact CB-CB 4.32Å; R135-D162 PolarHBondContact O-N 2.8Å; R135-D162 VanDerWaalsContact O-N 3.12Å; R135-D165 IonicContact NH2-OD2 3.04Å; R135-D165 PolarHBondContact NH2-OD2 3.46Å |
| 136 | N | 92.9 | Very high | 94 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 23.8 | 179.8 | -65.3 | -50.1 | 0 | 0 | 0 | 114.6 | R138 D162 | N136-R138 PolarHBondContact O-N 2.73Å; N136-D162 PolarHBondContact ND2-OD2 2.87Å |
| 137 | Y | 96.5 | Very high | 93.7 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | trans | -61.3 | 129.3 | 175.7 | -176 | -85.2 | 0 | 0 | 0 | 110.4 | F125 S126 I127 L134 R135 S139 Y159 A160 V161 | F125-Y137 HydrophobicContact CE2-CD1 4.38Å; F125-Y137 HydrophobicContact CE2-CE1 4.11Å; F125-Y137 AromaticContact CZ-CE1 3.87Å; F125-Y137 HydrophobicContact CZ-CE1 3.87Å; S126-Y137 CarbonylContact C-O 3.59Å; S126-Y137 VanDerWaalsContact CA-O 3.23Å; S126-Y137 WeakPolarHBondContact CA-O 3.47Å; S126-Y137 WeakPolarHBondContact CB-O 3.4Å; I127-Y137 HydrophobicContact CD1-CD1 3.78Å; I127-Y137 HydrophobicContact CD1-CG 3.82Å; I127-Y137 HydrophobicContact CG1-CD1 3.81Å; I127-Y137 HydrophobicContact CG1-CG 4.18Å; I127-Y137 PolarHBondContact N-O 3.43Å; L134-Y137 HydrophobicContact CD1-CD2 4.37Å; R135-Y137 PolarHBondContact O-N 2.82Å; Y137-S139 VanDerWaalsContact CE1-CB 3.43Å; Y137-Y159 HydrophobicContact CD2-CD2 4.25Å; Y137-Y159 AromaticContact CE2-CD2 3.69Å; Y137-Y159 HydrophobicContact CE2-CD2 3.69Å; Y137-Y159 AromaticContact CE2-CG 3.72Å; Y137-Y159 HydrophobicContact CE2-CG 3.72Å; Y137-A160 CarbonylContact C-O 3.46Å; Y137-A160 WeakPolarHBondContact CA-O 3.33Å; Y137-V161 HydrophobicContact CD2-CB 3.89Å; Y137-V161 HydrophobicContact CD2-CG2 3.89Å; Y137-V161 HydrophobicContact CG-CG2 4.43Å | ||
| 138 | R | 97.6 | Very high | 93.2 | Very high | 144 Ų | 144 | 55 Ų | 55 | 54% | 0.543 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.8 | 173.7 | -54.5 | 178.4 | -170 | -172.1 | 1.4 | 107.6 | N136 Y159 A160 | N136-R138 PolarHBondContact O-N 2.73Å; R138-Y159 CarbonylContact O-C 3.53Å; R138-Y159 WeakPolarHBondContact O-CA 3.44Å; R138-Y159 WeakPolarHBondContact O-CB 3.45Å; R138-A160 PolarHBondContact N-O 2.71Å; R138-A160 PolarHBondContact O-N 2.82Å |
| 139 | S | 97.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.9 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111 | G124 F125 Y137 E157 S158 | G124-S139 CarbonylContact C-O 3.54Å; G124-S139 WeakPolarHBondContact CA-O 3.41Å; F125-S139 PolarHBondContact N-O 3.03Å; F125-S139 PolarHBondContact O-N 2.9Å; Y137-S139 VanDerWaalsContact CE1-CB 3.43Å; S139-E157 PolarHBondContact OG-OE1 3.25Å; S139-S158 CarbonylContact C-O 3.59Å; S139-S158 WeakPolarHBondContact CA-O 3.17Å; S139-S158 PolarHBondContact OG-O 2.8Å |
| 140 | V | 98.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 9% | 0.085 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.5 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 109 | H33 H34 V122 F123 T142 E157 S158 | H33-V140 HydrophobicContact CB-CG1 4.07Å; H34-V140 PolarHBondContact CE1-O 2.88Å; H34-V140 VanDerWaalsContact CE1-O 3.31Å; V122-V140 HydrophobicContact CG1-CG1 3.96Å; F123-V140 CarbonylContact O-C 3.49Å; F123-V140 WeakPolarHBondContact O-CA 3.14Å; V140-T142 HydrophobicContact CG1-CG2 4.22Å; V140-E157 WeakPolarHBondContact O-CA 3.32Å; V140-S158 PolarHBondContact N-O 3.31Å; V140-S158 PolarHBondContact O-N 2.91Å |
| 141 | T | 98.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.3 | 173.8 | -48.5 | 0 | 0 | 0 | 0 | 109.5 | V62 F123 V155 L156 | V62-T141 HydrophobicContact CG1-CG2 3.75Å; F123-T141 PolarHBondContact N-O 3.46Å; F123-T141 PolarHBondContact O-N 2.9Å; T141-V155 HydrophobicContact CG2-CG1 3.49Å; T141-V155 VanDerWaalsContact CG2-CG1 3.49Å; T141-L156 CarbonylContact C-O 3.59Å; T141-L156 WeakPolarHBondContact CA-O 3.29Å |
| 142 | T | 98.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.6 | 172.9 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | T29 H33 H34 R121 V122 V140 V155 L156 | T29-T142 HydrophobicContact CG2-CG2 3.79Å; T29-T142 WeakPolarHBondContact CG2-OG1 3.14Å; H33-T142 HydrophobicContact CB-CG2 4.15Å; H34-T142 VanDerWaalsContact NE2-CG2 3.25Å; H34-T142 WeakPolarHBondContact NE2-CG2 3.15Å; H34-T142 PolarHBondContact NE2-OG1 2.93Å; R121-T142 WeakPolarHBondContact O-CA 3.33Å; V122-T142 HydrophobicContact CB-CG2 4.37Å; V122-T142 HydrophobicContact CG1-CG2 4.11Å; V122-T142 HydrophobicContact CG2-CG2 3.96Å; V140-T142 HydrophobicContact CG1-CG2 4.22Å; T142-V155 WeakPolarHBondContact O-CA 3.35Å; T142-L156 PolarHBondContact N-O 3.42Å; T142-L156 PolarHBondContact O-N 2.97Å |
| 143 | V | 98.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 109.5 | 179.7 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | P55 V58 W59 V62 R121 T153 V155 | P55-V143 HydrophobicContact CB-CG1 4.29Å; V58-V143 HydrophobicContact CB-CG1 4.03Å; V58-V143 HydrophobicContact CG1-CG1 3.91Å; V58-V143 HydrophobicContact CG1-CG2 4.18Å; W59-V143 HydrophobicContact CE3-CB 4.38Å; W59-V143 HydrophobicContact CE3-CG2 3.83Å; W59-V143 HydrophobicContact CZ3-CG2 4.49Å; V62-V143 HydrophobicContact CB-CG2 4.45Å; V62-V143 HydrophobicContact CG2-CG2 4.17Å; R121-V143 HydrophobicContact CB-CB 4.06Å; R121-V143 PolarHBondContact NE-O 2.95Å; R121-V143 PolarHBondContact O-N 2.54Å; R121-V143 VanDerWaalsContact O-N 3.11Å; V143-T153 HydrophobicContact CG1-CG2 3.45Å; V143-T153 VanDerWaalsContact CG1-CG2 3.45Å; V143-V155 HydrophobicContact CG2-CG2 4.24Å |
| 144 | S | 98.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 48 Ų | 48 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.1 | -175.8 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | T153 V154 | S144-T153 CarbonylContact O-C 3.49Å; S144-T153 WeakPolarHBondContact O-CA 3.41Å; S144-V154 PolarHBondContact N-O 2.92Å; S144-V154 PolarHBondContact O-N 2.78Å |
| 145 | E | 96.6 | Very high | 93.6 | Very high | 114 Ų | 114 | 46.4 Ų | 46.4 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.6 | 169.3 | -165.4 | 165.9 | -166.8 | 0 | 0 | 108.5 | P55 | P55-E145 HydrophobicContact CG-CB 3.62Å; P55-E145 HydrophobicContact CG-CG 3.86Å |
| 146 | L | 94.7 | Very high | 94 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 135.6 | 170.2 | -70.1 | 175.1 | 0 | 0 | 0 | 109.5 | E22 Q25 L26 G148 C152 V154 | E22-L146 HydrophobicContact CB-CD1 3.91Å; E22-L146 HydrophobicContact CB-CD2 4Å; E22-L146 HydrophobicContact CG-CD1 3.66Å; E22-L146 HydrophobicContact CG-CD2 4.34Å; E22-L146 WeakPolarHBondContact OE1-CD1 3.4Å; Q25-L146 HydrophobicContact CB-CD2 4.14Å; L26-L146 HydrophobicContact CD1-CD2 4.06Å; L26-L146 HydrophobicContact CD2-CD2 4.14Å; L26-L146 HydrophobicContact CG-CD2 3.88Å; L146-G148 PolarHBondContact O-N 2.74Å; L146-C152 HydrophobicContact CB-CB 4.25Å; L146-C152 PolarHBondContact N-O 3.31Å; L146-V154 HydrophobicContact CD1-CG2 3.32Å; L146-V154 HydrophobicContact CD2-CG2 4.48Å; L146-V154 HydrophobicContact CG-CG2 3.72Å |
| 147 | A | 90.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 36 Ų | 36 | 65% | 0.653 | 23% | 0.226 | S | C | * | . | P | Polyproline II helix | trans | -67.5 | 128.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 148 | G | 84.5 | Confident | 94.4 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 55% | 0.546 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 168.2 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L146 G150 | L146-G148 PolarHBondContact O-N 2.74Å; G148-G150 PolarHBondContact O-N 2.97Å |
| 149 | P | 80.2 | Confident | 94.4 | Very high | 140 Ų | 140 | 28.5 Ų | 28.5 | 91% | 0.909 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -70 | 121.8 | 174.1 | 28.3 | -32 | 0 | 0 | 0 | 110.6 | ||
| 150 | G | 85.4 | Confident | 94.4 | Very high | 63 Ų | 63 | 29 Ų | 29 | 65% | 0.649 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 82.5 | 178.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G148 C152 | G148-G150 PolarHBondContact O-N 2.97Å; G150-C152 PolarHBondContact O-N 3.24Å |
| 151 | I | 82.5 | Confident | 94.3 | Very high | 81 Ų | 81 | 28.4 Ų | 28.4 | 42% | 0.415 | 20% | 0.198 | S | C | . | . | trans | -80.5 | 118.4 | -177.6 | -63.4 | 162.1 | 0 | 0 | 0 | 109.6 | A53 P54 | A53-I151 VanDerWaalsContact O-CG2 3.24Å; A53-I151 WeakPolarHBondContact O-CG2 3.25Å; P54-I151 HydrophobicContact CG-CD1 4.06Å | ||
| 152 | C | 89.2 | Confident | 94.2 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | trans | -132.7 | 97.7 | 173.8 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | L146 G150 | L146-C152 HydrophobicContact CB-CB 4.25Å; L146-C152 PolarHBondContact N-O 3.31Å; G150-C152 PolarHBondContact O-N 3.24Å | ||
| 153 | T | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 135.3 | 172.2 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | R50 I51 A53 P55 V58 V143 S144 | R50-T153 CarbonylContact C-O 3.58Å; R50-T153 WeakPolarHBondContact CA-O 3.15Å; I51-T153 PolarHBondContact N-O 2.71Å; I51-T153 PolarHBondContact O-N 2.95Å; I51-T153 VanDerWaalsContact O-N 3.08Å; A53-T153 WeakPolarHBondContact O-CB 3.49Å; A53-T153 PolarHBondContact O-OG1 2.8Å; P55-T153 HydrophobicContact CB-CG2 4.45Å; P55-T153 VanDerWaalsContact CD-OG1 3.31Å; P55-T153 WeakPolarHBondContact CD-OG1 3.19Å; P55-T153 WeakPolarHBondContact CG-OG1 3.22Å; V58-T153 HydrophobicContact CB-CG2 4.2Å; V58-T153 HydrophobicContact CG1-CG2 4.37Å; V58-T153 HydrophobicContact CG2-CG2 3.92Å; V143-T153 HydrophobicContact CG1-CG2 3.45Å; V143-T153 VanDerWaalsContact CG1-CG2 3.45Å; S144-T153 CarbonylContact O-C 3.49Å; S144-T153 WeakPolarHBondContact O-CA 3.41Å |
| 154 | V | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.2 | 169 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | L18 L26 A48 Q49 R50 S144 L146 L156 | L18-V154 HydrophobicContact CD2-CG1 4.39Å; L18-V154 HydrophobicContact CD2-CG2 4.23Å; L26-V154 HydrophobicContact CD1-CB 4.08Å; L26-V154 HydrophobicContact CD1-CG1 3.75Å; L26-V154 HydrophobicContact CD1-CG2 4.3Å; A48-V154 HydrophobicContact CB-CG1 4.37Å; Q49-V154 WeakPolarHBondContact O-CA 3.4Å; R50-V154 HydrophobicContact CG-CG2 3.91Å; S144-V154 PolarHBondContact N-O 2.92Å; S144-V154 PolarHBondContact O-N 2.78Å; L146-V154 HydrophobicContact CD1-CG2 3.32Å; L146-V154 HydrophobicContact CD2-CG2 4.48Å; L146-V154 HydrophobicContact CG-CG2 3.72Å; V154-L156 HydrophobicContact CG1-CD2 3.84Å; V154-L156 HydrophobicContact CG1-CG 4.16Å |
| 155 | V | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.6 | 167.4 | -175 | 0 | 0 | 0 | 0 | 108 | A48 Q49 I51 V58 T141 T142 V143 L184 L187 | A48-V155 CarbonylContact C-O 3.57Å; A48-V155 WeakPolarHBondContact CA-O 3.47Å; Q49-V155 PolarHBondContact N-O 3.16Å; Q49-V155 PolarHBondContact O-N 3.31Å; I51-V155 HydrophobicContact CD1-CG2 3.59Å; I51-V155 HydrophobicContact CG1-CG2 4.39Å; V58-V155 HydrophobicContact CG1-CG2 3.57Å; T141-V155 HydrophobicContact CG2-CG1 3.49Å; T141-V155 VanDerWaalsContact CG2-CG1 3.49Å; T142-V155 WeakPolarHBondContact O-CA 3.35Å; V143-V155 HydrophobicContact CG2-CG2 4.24Å; V155-L184 HydrophobicContact CB-CD2 4.32Å; V155-L184 HydrophobicContact CG1-CD2 3.74Å; V155-L187 HydrophobicContact CG1-CD2 4.2Å; V155-L187 HydrophobicContact CG2-CD2 4.08Å |
| 156 | L | 98.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.9 | 169.8 | -63.4 | -178.9 | 0 | 0 | 0 | 108.5 | L18 L26 V30 L46 L47 A48 T141 T142 V154 | L18-L156 HydrophobicContact CD1-CD2 4.48Å; L26-L156 HydrophobicContact CB-CD1 4.38Å; L26-L156 HydrophobicContact CD1-CD1 4.48Å; V30-L156 HydrophobicContact CG2-CD1 3.7Å; L46-L156 HydrophobicContact CD1-CB 4.04Å; L46-L156 HydrophobicContact CD1-CD2 4.43Å; L47-L156 CarbonylContact O-C 3.49Å; L47-L156 WeakPolarHBondContact O-CA 3.44Å; A48-L156 HydrophobicContact CB-CD2 3.5Å; A48-L156 VanDerWaalsContact CB-CD2 3.5Å; T141-L156 CarbonylContact C-O 3.59Å; T141-L156 WeakPolarHBondContact CA-O 3.29Å; T142-L156 PolarHBondContact N-O 3.42Å; T142-L156 PolarHBondContact O-N 2.97Å; V154-L156 HydrophobicContact CG1-CD2 3.84Å; V154-L156 HydrophobicContact CG1-CG 4.16Å |
| 157 | E | 98.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.6 | 170.6 | -170.3 | 168.2 | 164.6 | 0 | 0 | 108.7 | L47 S139 V140 I180 L184 | L47-E157 PolarHBondContact N-O 3.09Å; L47-E157 PolarHBondContact O-N 3.45Å; S139-E157 PolarHBondContact OG-OE1 3.25Å; V140-E157 WeakPolarHBondContact O-CA 3.32Å; E157-I180 HydrophobicContact CB-CG2 3.89Å; E157-I180 HydrophobicContact CG-CD1 4.41Å; E157-I180 HydrophobicContact CG-CG2 3.93Å; E157-L184 HydrophobicContact CB-CD1 4.26Å; E157-L184 HydrophobicContact CB-CD2 4.37Å |
| 158 | S | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 162.8 | 173.3 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | H34 Y36 S45 S139 V140 | H34-S158 WeakPolarHBondContact ND1-CB 3.44Å; H34-S158 PolarHBondContact ND1-OG 3.02Å; Y36-S158 WeakPolarHBondContact CE2-OG 3.19Å; Y36-S158 PolarHBondContact OH-O 3.15Å; Y36-S158 PolarHBondContact OH-OG 3.15Å; S45-S158 WeakPolarHBondContact O-CA 3.49Å; S45-S158 WeakPolarHBondContact O-CB 3.39Å; S139-S158 CarbonylContact C-O 3.59Å; S139-S158 WeakPolarHBondContact CA-O 3.17Å; S139-S158 PolarHBondContact OG-O 2.8Å; V140-S158 PolarHBondContact N-O 3.31Å; V140-S158 PolarHBondContact O-N 2.91Å |
| 159 | Y | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 163.3 | 173.7 | 67.2 | -82.7 | 0 | 0 | 0 | 111.8 | Y36 S44 S45 L47 Y137 R138 V161 R173 A176 D177 I180 | Y36-Y159 WeakPolarHBondContact CE2-O 3.15Å; S44-Y159 WeakPolarHBondContact CA-O 3.46Å; S44-Y159 WeakPolarHBondContact CB-O 3.34Å; S45-Y159 PolarHBondContact N-O 2.68Å; S45-Y159 PolarHBondContact O-N 3.39Å; S45-Y159 VanDerWaalsContact O-N 3.15Å; L47-Y159 HydrophobicContact CD1-CE1 4.36Å; Y137-Y159 HydrophobicContact CD2-CD2 4.25Å; Y137-Y159 AromaticContact CE2-CD2 3.69Å; Y137-Y159 HydrophobicContact CE2-CD2 3.69Å; Y137-Y159 AromaticContact CE2-CG 3.72Å; Y137-Y159 HydrophobicContact CE2-CG 3.72Å; R138-Y159 CarbonylContact O-C 3.53Å; R138-Y159 WeakPolarHBondContact O-CA 3.44Å; R138-Y159 WeakPolarHBondContact O-CB 3.45Å; Y159-V161 HydrophobicContact CD2-CB 4.27Å; Y159-V161 HydrophobicContact CD2-CG1 3.97Å; Y159-V161 HydrophobicContact CE2-CG1 3.79Å; Y159-R173 WeakPolarHBondContact OH-CA 3.35Å; Y159-R173 PolarHBondContact OH-O 3.44Å; Y159-A176 HydrophobicContact CD2-CB 4.4Å; Y159-A176 HydrophobicContact CE1-CB 3.95Å; Y159-A176 HydrophobicContact CE2-CB 3.64Å; Y159-A176 WeakPolarHBondContact OH-CB 3.24Å; Y159-D177 WeakPolarHBondContact CE1-OD1 3.4Å; Y159-D177 VanDerWaalsContact CZ-OD1 3.31Å; Y159-D177 PolarHBondContact OH-OD1 2.86Å; Y159-I180 HydrophobicContact CD1-CD1 3.2Å; Y159-I180 HydrophobicContact CE1-CD1 3.58Å; Y159-I180 HydrophobicContact CG-CD1 4.13Å |
| 160 | A | 98 | Very high | 95 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.1 | 161 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y36 V38 C43 Y137 R138 | Y36-A160 HydrophobicContact CD1-CB 3.67Å; Y36-A160 HydrophobicContact CD2-CB 4.18Å; Y36-A160 HydrophobicContact CE1-CB 4.14Å; Y36-A160 HydrophobicContact CG-CB 3.7Å; V38-A160 HydrophobicContact CG1-CB 4.32Å; C43-A160 WeakPolarHBondContact O-CA 3.39Å; Y137-A160 CarbonylContact C-O 3.46Å; Y137-A160 WeakPolarHBondContact CA-O 3.33Å; R138-A160 PolarHBondContact N-O 2.71Å; R138-A160 PolarHBondContact O-N 2.82Å |
| 161 | V | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 150.8 | -176.5 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | Q42 C43 L134 R135 Y137 Y159 T172 | Q42-V161 WeakPolarHBondContact CA-O 3.06Å; C43-V161 PolarHBondContact N-O 3.33Å; C43-V161 PolarHBondContact O-N 3.03Å; L134-V161 HydrophobicContact CB-CG2 4.03Å; L134-V161 HydrophobicContact CD2-CG2 4.22Å; R135-V161 WeakPolarHBondContact O-CG2 3.23Å; Y137-V161 HydrophobicContact CD2-CB 3.89Å; Y137-V161 HydrophobicContact CD2-CG2 3.89Å; Y137-V161 HydrophobicContact CG-CG2 4.43Å; Y159-V161 HydrophobicContact CD2-CB 4.27Å; Y159-V161 HydrophobicContact CD2-CG1 3.97Å; Y159-V161 HydrophobicContact CE2-CG1 3.79Å; V161-T172 HydrophobicContact CG1-CG2 3.82Å |
| 162 | D | 96.8 | Very high | 96.1 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 139.2 | 169.2 | -62.2 | -11.5 | 0 | 0 | 0 | 110.4 | Q42 R135 N136 P164 | Q42-D162 PolarHBondContact NE2-OD1 3.41Å; R135-D162 HydrophobicContact CB-CB 4.32Å; R135-D162 PolarHBondContact O-N 2.8Å; R135-D162 VanDerWaalsContact O-N 3.12Å; N136-D162 PolarHBondContact ND2-OD2 2.87Å; D162-P164 WeakPolarHBondContact O-CD 3.3Å |
| 163 | V | 96.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 122.1 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | G41 N167 E169 | G41-V163 WeakPolarHBondContact O-CB 3.43Å; G41-V163 WeakPolarHBondContact O-CG2 3.25Å; G41-V163 PolarHBondContact O-N 3.46Å; V163-N167 HydrophobicContact CG1-CB 4.38Å; V163-N167 WeakPolarHBondContact CG1-O 3.29Å; V163-E169 HydrophobicContact CG2-CB 4.31Å; V163-E169 HydrophobicContact CG2-CG 3.58Å |
| 164 | P | 93.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 148.1 | 176.3 | -23.4 | 35.4 | 0 | 0 | 0 | 112.6 | R133 D162 G166 N167 T172 | R133-P164 HydrophobicContact CB-CB 3.94Å; R133-P164 HydrophobicContact CB-CG 3.89Å; D162-P164 WeakPolarHBondContact O-CD 3.3Å; P164-G166 PolarHBondContact O-N 2.88Å; P164-N167 HydrophobicContact CB-CB 4.47Å; P164-N167 WeakPolarHBondContact O-CB 3.39Å; P164-N167 PolarHBondContact O-N 3.39Å; P164-T172 WeakPolarHBondContact CD-OG1 3.47Å |
| 165 | D | 92.9 | Very high | 96.1 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 128 | 177.1 | -59.2 | -53.8 | 0 | 0 | 0 | 111.5 | R133 R135 N167 | R133-D165 PolarHBondContact NH2-O 2.84Å; R135-D165 IonicContact NH2-OD2 3.04Å; R135-D165 PolarHBondContact NH2-OD2 3.46Å; D165-N167 VanDerWaalsContact C-N 3.33Å |
| 166 | G | 93.6 | Very high | 95.9 | Very high | 86 Ų | 86 | 46.8 Ų | 46.8 | 89% | 0.887 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 5.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P164 | P164-G166 PolarHBondContact O-N 2.88Š|
| 167 | N | 94.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | trans | -108.5 | 155.5 | 167.8 | -73.9 | 97.4 | 0 | 0 | 0 | 110.6 | R133 V163 P164 D165 | R133-N167 PolarHBondContact NH1-OD1 2.6Å; V163-N167 HydrophobicContact CG1-CB 4.38Å; V163-N167 WeakPolarHBondContact CG1-O 3.29Å; P164-N167 HydrophobicContact CB-CB 4.47Å; P164-N167 WeakPolarHBondContact O-CB 3.39Å; P164-N167 PolarHBondContact O-N 3.39Å; D165-N167 VanDerWaalsContact C-N 3.33Å | ||
| 168 | T | 95.7 | Very high | 95.6 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | trans | -88.5 | 166.2 | 168.5 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | D170 D171 T172 | T168-D170 VanDerWaalsContact C-N 3.27Å; T168-D170 PolarHBondContact O-N 2.89Å; T168-D171 PolarHBondContact N-OD2 3.01Å; T168-D171 PolarHBondContact O-N 2.71Å; T168-D171 PolarHBondContact OG1-N 2.88Å; T168-D171 PolarHBondContact OG1-OD2 3.14Å; T168-T172 WeakPolarHBondContact O-CB 3.19Å; T168-T172 PolarHBondContact O-N 2.87Å; T168-T172 VanDerWaalsContact O-N 3.08Å; T168-T172 PolarHBondContact O-OG1 3.17Å | ||
| 169 | E | 96.4 | Very high | 95.3 | Very high | 84 Ų | 84 | 52.9 Ų | 52.9 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 169.4 | -73 | 177 | -159.9 | 0 | 0 | 111.7 | C43 V163 T172 R173 | C43-E169 HydrophobicContact CB-CB 4.25Å; C43-E169 HydrophobicContact CB-CG 4.28Å; V163-E169 HydrophobicContact CG2-CB 4.31Å; V163-E169 HydrophobicContact CG2-CG 3.58Å; E169-T172 PolarHBondContact O-N 3.21Å; E169-R173 WeakPolarHBondContact O-CB 3.46Å; E169-R173 WeakPolarHBondContact O-CG 3.44Å; E169-R173 PolarHBondContact O-N 2.96Å |
| 170 | D | 96.1 | Very high | 95.2 | Very high | 102 Ų | 102 | 53 Ų | 53 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 179 | -74.3 | -32.8 | 0 | 0 | 0 | 111.7 | T168 T172 R173 L174 | T168-D170 VanDerWaalsContact C-N 3.27Å; T168-D170 PolarHBondContact O-N 2.89Å; D170-T172 VanDerWaalsContact C-N 3.31Å; D170-T172 PolarHBondContact O-N 3.23Å; D170-R173 PolarHBondContact O-N 3.49Å; D170-R173 IonicContact OD1-CZ 3.07Å; D170-R173 IonicContact OD1-NH1 2.77Å; D170-R173 PolarHBondContact OD1-NH1 2.67Å; D170-R173 IonicContact OD1-NH2 2.67Å; D170-R173 PolarHBondContact OD1-NH2 3.18Å; D170-L174 VanDerWaalsContact O-CB 3.3Å; D170-L174 WeakPolarHBondContact O-CB 3.13Å; D170-L174 PolarHBondContact O-N 2.6Å |
| 171 | D | 95.2 | Very high | 95.1 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 177.2 | -62.9 | -43.2 | 0 | 0 | 0 | 111.5 | T168 L174 F175 | T168-D171 PolarHBondContact N-OD2 3.01Å; T168-D171 PolarHBondContact O-N 2.71Å; T168-D171 PolarHBondContact OG1-N 2.88Å; T168-D171 PolarHBondContact OG1-OD2 3.14Å; D171-L174 PolarHBondContact O-N 3.2Å; D171-F175 PolarHBondContact O-N 3.34Å |
| 172 | T | 95.2 | Very high | 95 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 179.8 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | V161 P164 T168 E169 D170 F175 A176 | V161-T172 HydrophobicContact CG1-CG2 3.82Å; P164-T172 WeakPolarHBondContact CD-OG1 3.47Å; T168-T172 WeakPolarHBondContact O-CB 3.19Å; T168-T172 PolarHBondContact O-N 2.87Å; T168-T172 VanDerWaalsContact O-N 3.08Å; T168-T172 PolarHBondContact O-OG1 3.17Å; E169-T172 PolarHBondContact O-N 3.21Å; D170-T172 VanDerWaalsContact C-N 3.31Å; D170-T172 PolarHBondContact O-N 3.23Å; T172-F175 PolarHBondContact O-N 2.83Å; T172-A176 WeakPolarHBondContact O-CB 3.36Å; T172-A176 PolarHBondContact O-N 2.78Å |
| 173 | R | 95.8 | Very high | 95 | Very high | 72 Ų | 72 | 59.4 Ų | 59.4 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 174.5 | -79.7 | -173.4 | -90.7 | 105.2 | -1.1 | 111.4 | C43 S44 Y159 E169 D170 F175 A176 D177 | C43-R173 HydrophobicContact CB-CG 3.81Å; S44-R173 WeakPolarHBondContact O-CD 3.27Å; Y159-R173 WeakPolarHBondContact OH-CA 3.35Å; Y159-R173 PolarHBondContact OH-O 3.44Å; E169-R173 WeakPolarHBondContact O-CB 3.46Å; E169-R173 WeakPolarHBondContact O-CG 3.44Å; E169-R173 PolarHBondContact O-N 2.96Å; D170-R173 PolarHBondContact O-N 3.49Å; D170-R173 IonicContact OD1-CZ 3.07Å; D170-R173 IonicContact OD1-NH1 2.77Å; D170-R173 PolarHBondContact OD1-NH1 2.67Å; D170-R173 IonicContact OD1-NH2 2.67Å; D170-R173 PolarHBondContact OD1-NH2 3.18Å; R173-F175 VanDerWaalsContact C-N 3.3Å; R173-F175 PolarHBondContact O-N 2.84Å; R173-A176 PolarHBondContact O-N 2.78Å; R173-D177 WeakPolarHBondContact O-CB 3.32Å; R173-D177 PolarHBondContact O-N 3.3Å |
| 174 | L | 95.2 | Very high | 95.1 | Very high | 118 Ų | 118 | 58.4 Ų | 58.4 | 62% | 0.618 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.1 | -45 | 179.3 | 180 | 63.1 | 0 | 0 | 0 | 111.6 | D170 D171 T178 | D170-L174 VanDerWaalsContact O-CB 3.3Å; D170-L174 WeakPolarHBondContact O-CB 3.13Å; D170-L174 PolarHBondContact O-N 2.6Å; D171-L174 PolarHBondContact O-N 3.2Å; L174-T178 VanDerWaalsContact O-CB 3.28Å; L174-T178 WeakPolarHBondContact O-CB 3.26Å; L174-T178 PolarHBondContact O-N 2.82Å; L174-T178 VanDerWaalsContact O-N 3.1Å; L174-T178 PolarHBondContact O-OG1 3.34Å |
| 175 | F | 93 | Very high | 95.3 | Very high | 106 Ų | 106 | 62.3 Ų | 62.3 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -54.1 | 177.3 | 175.8 | -98.1 | 0 | 0 | 0 | 112 | L134 D171 T172 R173 T178 V179 | L134-F175 HydrophobicContact CD1-CE1 4.35Å; L134-F175 HydrophobicContact CD2-CD1 4.39Å; L134-F175 HydrophobicContact CD2-CE1 4.36Å; D171-F175 PolarHBondContact O-N 3.34Å; T172-F175 PolarHBondContact O-N 2.83Å; R173-F175 VanDerWaalsContact C-N 3.3Å; R173-F175 PolarHBondContact O-N 2.84Å; F175-T178 PolarHBondContact O-N 3.23Å; F175-V179 HydrophobicContact CE1-CG2 4.35Å; F175-V179 HydrophobicContact CE2-CG2 4.45Å; F175-V179 HydrophobicContact CZ-CG2 4.19Å; F175-V179 WeakPolarHBondContact O-CG2 3.23Å; F175-V179 PolarHBondContact O-N 3.43Å; F175-V179 VanDerWaalsContact O-N 3.13Å |
| 176 | A | 94.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y159 T172 R173 T178 V179 I180 | Y159-A176 HydrophobicContact CD2-CB 4.4Å; Y159-A176 HydrophobicContact CE1-CB 3.95Å; Y159-A176 HydrophobicContact CE2-CB 3.64Å; Y159-A176 WeakPolarHBondContact OH-CB 3.24Å; T172-A176 WeakPolarHBondContact O-CB 3.36Å; T172-A176 PolarHBondContact O-N 2.78Å; R173-A176 PolarHBondContact O-N 2.78Å; A176-T178 VanDerWaalsContact C-N 3.29Å; A176-T178 PolarHBondContact O-N 2.93Å; A176-V179 PolarHBondContact O-N 2.98Å; A176-I180 WeakPolarHBondContact O-CG1 3.06Å; A176-I180 PolarHBondContact O-N 2.52Å |
| 177 | D | 95.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 176.3 | -73 | 14.6 | 0 | 0 | 0 | 111.3 | S45 L47 Y159 R173 R181 | S45-D177 WeakPolarHBondContact CB-OD1 3.4Å; S45-D177 PolarHBondContact OG-OD1 2.92Å; S45-D177 PolarHBondContact OG-OD2 2.83Å; L47-D177 HydrophobicContact CD1-CB 4.45Å; L47-D177 HydrophobicContact CD2-CB 4.17Å; L47-D177 WeakPolarHBondContact CD2-O 3.16Å; Y159-D177 WeakPolarHBondContact CE1-OD1 3.4Å; Y159-D177 VanDerWaalsContact CZ-OD1 3.31Å; Y159-D177 PolarHBondContact OH-OD1 2.86Å; R173-D177 WeakPolarHBondContact O-CB 3.32Å; R173-D177 PolarHBondContact O-N 3.3Å; D177-R181 WeakPolarHBondContact O-CB 3.47Å; D177-R181 PolarHBondContact O-N 2.94Å |
| 178 | T | 94.7 | Very high | 95.8 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 111 | L174 F175 A176 R181 L182 | L174-T178 VanDerWaalsContact O-CB 3.28Å; L174-T178 WeakPolarHBondContact O-CB 3.26Å; L174-T178 PolarHBondContact O-N 2.82Å; L174-T178 VanDerWaalsContact O-N 3.1Å; L174-T178 PolarHBondContact O-OG1 3.34Å; F175-T178 PolarHBondContact O-N 3.23Å; A176-T178 VanDerWaalsContact C-N 3.29Å; A176-T178 PolarHBondContact O-N 2.93Å; T178-R181 PolarHBondContact O-N 2.83Å; T178-L182 HydrophobicContact CG2-CD1 4.24Å; T178-L182 VanDerWaalsContact O-CG 3.32Å; T178-L182 WeakPolarHBondContact O-CG 3.33Å; T178-L182 PolarHBondContact O-N 3.47Å |
| 179 | V | 92.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 56.6 Ų | 56.6 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | F74 F175 A176 L182 N183 | F74-V179 HydrophobicContact CD2-CG1 4.09Å; F74-V179 HydrophobicContact CD2-CG2 4.36Å; F74-V179 HydrophobicContact CE2-CG1 4.31Å; F74-V179 HydrophobicContact CE2-CG2 4.06Å; F175-V179 HydrophobicContact CE1-CG2 4.35Å; F175-V179 HydrophobicContact CE2-CG2 4.45Å; F175-V179 HydrophobicContact CZ-CG2 4.19Å; F175-V179 WeakPolarHBondContact O-CG2 3.23Å; F175-V179 PolarHBondContact O-N 3.43Å; F175-V179 VanDerWaalsContact O-N 3.13Å; A176-V179 PolarHBondContact O-N 2.98Å; V179-L182 PolarHBondContact O-N 3.35Å; V179-N183 PolarHBondContact O-N 2.91Å; V179-N183 VanDerWaalsContact O-N 3.11Å; V179-N183 PolarHBondContact O-ND2 2.66Å |
| 180 | I | 95.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.8 | -68.6 | 170.9 | 0 | 0 | 0 | 110.6 | L47 E157 Y159 A176 L182 N183 L184 | L47-I180 HydrophobicContact CB-CG2 4.25Å; L47-I180 HydrophobicContact CD1-CB 4.37Å; L47-I180 HydrophobicContact CD1-CD1 4.28Å; L47-I180 HydrophobicContact CD1-CG2 4.07Å; L47-I180 HydrophobicContact CD2-CB 4.38Å; L47-I180 HydrophobicContact CD2-CG2 4.14Å; L47-I180 HydrophobicContact CG-CG2 4.39Å; E157-I180 HydrophobicContact CB-CG2 3.89Å; E157-I180 HydrophobicContact CG-CD1 4.41Å; E157-I180 HydrophobicContact CG-CG2 3.93Å; Y159-I180 HydrophobicContact CD1-CD1 3.2Å; Y159-I180 HydrophobicContact CE1-CD1 3.58Å; Y159-I180 HydrophobicContact CG-CD1 4.13Å; A176-I180 WeakPolarHBondContact O-CG1 3.06Å; A176-I180 PolarHBondContact O-N 2.52Å; I180-L182 VanDerWaalsContact C-N 3.33Å; I180-L182 PolarHBondContact O-N 2.92Å; I180-N183 WeakPolarHBondContact O-CB 3.01Å; I180-N183 PolarHBondContact O-N 2.86Å; I180-N183 VanDerWaalsContact O-N 3.13Å; I180-L184 HydrophobicContact CG2-CD1 3.84Å; I180-L184 HydrophobicContact CG2-CG 4.09Å; I180-L184 WeakPolarHBondContact O-CG 3.17Å; I180-L184 PolarHBondContact O-N 3.27Å |
| 181 | R | 96.3 | Very high | 95.9 | Very high | 113 Ų | 113 | 49.4 Ų | 49.4 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 179.6 | -170.2 | 179 | -54.4 | -78.5 | -2.6 | 112.1 | L47 D177 T178 L184 Q185 | L47-R181 HydrophobicContact CD2-CB 4.15Å; D177-R181 WeakPolarHBondContact O-CB 3.47Å; D177-R181 PolarHBondContact O-N 2.94Å; T178-R181 PolarHBondContact O-N 2.83Å; R181-L184 PolarHBondContact O-N 2.92Å; R181-Q185 WeakPolarHBondContact O-CB 3.34Å; R181-Q185 VanDerWaalsContact O-CG 3.24Å; R181-Q185 WeakPolarHBondContact O-CG 2.97Å; R181-Q185 PolarHBondContact O-N 2.93Å |
| 182 | L | 96 | Very high | 95.9 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.6 | -69.7 | 172.3 | 0 | 0 | 0 | 111.6 | F74 T178 V179 I180 Q185 K186 | F74-L182 HydrophobicContact CE2-CD1 3.91Å; F74-L182 HydrophobicContact CZ-CD1 3.74Å; T178-L182 HydrophobicContact CG2-CD1 4.24Å; T178-L182 VanDerWaalsContact O-CG 3.32Å; T178-L182 WeakPolarHBondContact O-CG 3.33Å; T178-L182 PolarHBondContact O-N 3.47Å; V179-L182 PolarHBondContact O-N 3.35Å; I180-L182 VanDerWaalsContact C-N 3.33Å; I180-L182 PolarHBondContact O-N 2.92Å; L182-Q185 PolarHBondContact O-N 3.34Å; L182-K186 PolarHBondContact O-N 3.47Å; L182-K186 VanDerWaalsContact O-N 3.11Å |
| 183 | N | 96.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 176.7 | -63.5 | -22.6 | 0 | 0 | 0 | 111.4 | Y71 K72 H73 V179 I180 Q185 K186 L187 | Y71-N183 HydrophobicContact CD2-CB 4.1Å; Y71-N183 WeakPolarHBondContact CD2-O 3.47Å; Y71-N183 HydrophobicContact CE2-CB 4.11Å; K72-N183 VanDerWaalsContact CA-OD1 3.28Å; K72-N183 WeakPolarHBondContact CA-OD1 3.33Å; K72-N183 HydrophobicContact CG-CB 4.3Å; H73-N183 PolarHBondContact N-OD1 3.43Å; V179-N183 PolarHBondContact O-N 2.91Å; V179-N183 VanDerWaalsContact O-N 3.11Å; V179-N183 PolarHBondContact O-ND2 2.66Å; I180-N183 WeakPolarHBondContact O-CB 3.01Å; I180-N183 PolarHBondContact O-N 2.86Å; I180-N183 VanDerWaalsContact O-N 3.13Å; N183-Q185 PolarHBondContact O-N 2.91Å; N183-K186 PolarHBondContact O-N 2.96Å; N183-L187 PolarHBondContact O-N 2.93Å |
| 184 | L | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 179.7 | -69.4 | -179.6 | 0 | 0 | 0 | 112.5 | L47 Q49 V155 E157 I180 R181 K186 L187 K188 | L47-L184 HydrophobicContact CB-CD1 4.15Å; Q49-L184 HydrophobicContact CB-CB 3.83Å; Q49-L184 HydrophobicContact CB-CD1 4.07Å; Q49-L184 HydrophobicContact CB-CG 4.37Å; Q49-L184 HydrophobicContact CG-CB 4.07Å; V155-L184 HydrophobicContact CB-CD2 4.32Å; V155-L184 HydrophobicContact CG1-CD2 3.74Å; E157-L184 HydrophobicContact CB-CD1 4.26Å; E157-L184 HydrophobicContact CB-CD2 4.37Å; I180-L184 HydrophobicContact CG2-CD1 3.84Å; I180-L184 HydrophobicContact CG2-CG 4.09Å; I180-L184 WeakPolarHBondContact O-CG 3.17Å; I180-L184 PolarHBondContact O-N 3.27Å; R181-L184 PolarHBondContact O-N 2.92Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.32Å; L184-L187 HydrophobicContact CD2-CD2 4.31Å; L184-L187 WeakPolarHBondContact O-CB 3.46Å; L184-L187 PolarHBondContact O-N 2.92Å; L184-K188 PolarHBondContact O-N 3.08Å |
| 185 | Q | 97.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 174 | -75 | 172 | -11.4 | 0 | 0 | 112.2 | R181 L182 N183 K188 S189 | R181-Q185 WeakPolarHBondContact O-CB 3.34Å; R181-Q185 VanDerWaalsContact O-CG 3.24Å; R181-Q185 WeakPolarHBondContact O-CG 2.97Å; R181-Q185 PolarHBondContact O-N 2.93Å; L182-Q185 PolarHBondContact O-N 3.34Å; N183-Q185 PolarHBondContact O-N 2.91Å; Q185-K188 WeakPolarHBondContact O-CB 3.48Å; Q185-S189 PolarHBondContact O-N 3.43Å; Q185-S189 VanDerWaalsContact O-N 3.14Å; Q185-S189 PolarHBondContact O-OG 2.71Å |
| 186 | K | 97.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 34% | 0.335 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 174.6 | -176 | 57.7 | 177.1 | 176.3 | 0 | 112.2 | Y71 H73 L182 N183 L184 K188 S189 V190 | Y71-K186 VanDerWaalsContact O-CB 3.31Å; Y71-K186 WeakPolarHBondContact O-CB 3.31Å; Y71-K186 VanDerWaalsContact O-CG 3.32Å; Y71-K186 WeakPolarHBondContact O-CG 3.1Å; H73-K186 WeakPolarHBondContact NE2-CB 3.5Å; L182-K186 PolarHBondContact O-N 3.47Å; L182-K186 VanDerWaalsContact O-N 3.11Å; N183-K186 PolarHBondContact O-N 2.96Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.32Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 2.86Å; K186-S189 PolarHBondContact O-N 3.4Å; K186-S189 VanDerWaalsContact O-N 3.14Å; K186-V190 HydrophobicContact CD-CG2 4.09Å; K186-V190 HydrophobicContact CG-CG2 4.32Å; K186-V190 WeakPolarHBondContact O-CG2 3.45Å; K186-V190 PolarHBondContact O-N 3.28Å |
| 187 | L | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.6 | -47.7 | 175.1 | 175.8 | 61.9 | 0 | 0 | 0 | 110.6 | I51 V58 I61 V62 Y71 V155 N183 L184 S189 V190 A191 | I51-L187 HydrophobicContact CD1-CD2 4.16Å; I51-L187 HydrophobicContact CD1-CG 3.94Å; V58-L187 HydrophobicContact CG1-CD2 4.3Å; I61-L187 HydrophobicContact CB-CD1 3.91Å; I61-L187 HydrophobicContact CD1-CD1 4.21Å; I61-L187 HydrophobicContact CG2-CD1 3.62Å; V62-L187 HydrophobicContact CG2-CD1 4.07Å; V62-L187 HydrophobicContact CG2-CD2 3.55Å; V62-L187 HydrophobicContact CG2-CG 4.46Å; Y71-L187 HydrophobicContact CD1-CD1 4.41Å; Y71-L187 HydrophobicContact CD2-CB 3.77Å; Y71-L187 HydrophobicContact CE2-CB 4.35Å; Y71-L187 HydrophobicContact CG-CB 4.09Å; Y71-L187 HydrophobicContact CG-CD1 4.29Å; V155-L187 HydrophobicContact CG1-CD2 4.2Å; V155-L187 HydrophobicContact CG2-CD2 4.08Å; N183-L187 PolarHBondContact O-N 2.93Å; L184-L187 HydrophobicContact CD2-CD2 4.31Å; L184-L187 WeakPolarHBondContact O-CB 3.46Å; L184-L187 PolarHBondContact O-N 2.92Å; L187-S189 PolarHBondContact O-N 2.83Å; L187-V190 PolarHBondContact O-N 3.06Å; L187-A191 VanDerWaalsContact O-CB 3.3Å; L187-A191 WeakPolarHBondContact O-CB 3.39Å; L187-A191 PolarHBondContact O-N 3.46Å |
| 188 | K | 97.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 53 Ų | 53 | 27% | 0.274 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -51.4 | -55.3 | 173.2 | 178.2 | -177.6 | -179.8 | 176.7 | 0 | 111.1 | Q49 R50 I51 L184 Q185 K186 V190 A191 E192 | Q49-K188 HydrophobicContact CG-CB 4.22Å; R50-K188 WeakPolarHBondContact O-CD 3.49Å; I51-K188 HydrophobicContact CD1-CB 4.26Å; I51-K188 HydrophobicContact CG1-CB 3.93Å; I51-K188 HydrophobicContact CG1-CG 4.15Å; I51-K188 HydrophobicContact CG2-CG 4.36Å; L184-K188 PolarHBondContact O-N 3.08Å; Q185-K188 WeakPolarHBondContact O-CB 3.48Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 2.86Å; K188-V190 VanDerWaalsContact C-N 3.32Å; K188-V190 PolarHBondContact O-N 3.45Å; K188-A191 PolarHBondContact O-N 2.67Å; K188-E192 VanDerWaalsContact CE-CD 3.49Å; K188-E192 WeakPolarHBondContact CE-OE1 3.36Å; K188-E192 VanDerWaalsContact CE-OE2 3.29Å; K188-E192 WeakPolarHBondContact CE-OE2 3.14Å; K188-E192 HydrophobicContact CG-CG 4.38Å; K188-E192 WeakPolarHBondContact CG-OE1 3.33Å; K188-E192 WeakPolarHBondContact O-CB 3.42Å; K188-E192 WeakPolarHBondContact O-CG 3.47Å; K188-E192 PolarHBondContact O-N 2.93Å |
| 189 | S | 96.9 | Very high | 88.6 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | -176.4 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | Q185 K186 L187 A193 | Q185-S189 PolarHBondContact O-N 3.43Å; Q185-S189 VanDerWaalsContact O-N 3.14Å; Q185-S189 PolarHBondContact O-OG 2.71Å; K186-S189 PolarHBondContact O-N 3.4Å; K186-S189 VanDerWaalsContact O-N 3.14Å; L187-S189 PolarHBondContact O-N 2.83Å; S189-A193 VanDerWaalsContact O-CB 3.31Å; S189-A193 WeakPolarHBondContact O-CB 3.44Å; S189-A193 PolarHBondContact O-N 3.11Å |
| 190 | V | 96.2 | Very high | 86.8 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.9 | -44 | 179.6 | 174 | 0 | 0 | 0 | 0 | 111.4 | I61 V70 K186 L187 K188 A193 S194 | I61-V190 HydrophobicContact CD1-CG1 3.96Å; V70-V190 HydrophobicContact CG1-CG1 4.19Å; K186-V190 HydrophobicContact CD-CG2 4.09Å; K186-V190 HydrophobicContact CG-CG2 4.32Å; K186-V190 WeakPolarHBondContact O-CG2 3.45Å; K186-V190 PolarHBondContact O-N 3.28Å; L187-V190 PolarHBondContact O-N 3.06Å; K188-V190 VanDerWaalsContact C-N 3.32Å; K188-V190 PolarHBondContact O-N 3.45Å; V190-A193 PolarHBondContact O-N 3.49Å; V190-S194 PolarHBondContact O-N 3.12Å; V190-S194 PolarHBondContact O-OG 2.79Å |
| 191 | A | 96.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.5 | -37.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I51 A53 V58 I61 L187 K188 S194 T195 | I51-A191 HydrophobicContact CG2-CB 3.91Å; A53-A191 HydrophobicContact CB-CB 4.15Å; V58-A191 HydrophobicContact CG2-CB 3.97Å; I61-A191 HydrophobicContact CD1-CB 3.85Å; L187-A191 VanDerWaalsContact O-CB 3.3Å; L187-A191 WeakPolarHBondContact O-CB 3.39Å; L187-A191 PolarHBondContact O-N 3.46Å; K188-A191 PolarHBondContact O-N 2.67Å; A191-S194 PolarHBondContact O-OG 2.97Å; A191-T195 PolarHBondContact O-N 3.27Å; A191-T195 PolarHBondContact O-OG1 3.27Å |
| 192 | E | 95.8 | Very high | 82.8 | Confident | 53 Ų | 53 | 62 Ų | 62 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 176.4 | -69.8 | 176.1 | 170.6 | 0 | 0 | 111 | I51 H52 K188 T195 S196 | I51-E192 HydrophobicContact CG2-CG 3.9Å; H52-E192 HydrophobicContact CB-CG 4.39Å; H52-E192 IonicContact CD2-OE1 2.73Å; H52-E192 IonicContact CG-OE1 2.54Å; H52-E192 PolarHBondContact N-OE1 2.84Å; K188-E192 VanDerWaalsContact CE-CD 3.49Å; K188-E192 WeakPolarHBondContact CE-OE1 3.36Å; K188-E192 VanDerWaalsContact CE-OE2 3.29Å; K188-E192 WeakPolarHBondContact CE-OE2 3.14Å; K188-E192 HydrophobicContact CG-CG 4.38Å; K188-E192 WeakPolarHBondContact CG-OE1 3.33Å; K188-E192 WeakPolarHBondContact O-CB 3.42Å; K188-E192 WeakPolarHBondContact O-CG 3.47Å; K188-E192 PolarHBondContact O-N 2.93Å; E192-T195 PolarHBondContact O-N 2.99Å; E192-S196 PolarHBondContact O-N 2.68Å |
| 193 | A | 94.1 | Very high | 80.7 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 46% | 0.463 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S189 V190 T195 S196 S197 | S189-A193 VanDerWaalsContact O-CB 3.31Å; S189-A193 WeakPolarHBondContact O-CB 3.44Å; S189-A193 PolarHBondContact O-N 3.11Å; V190-A193 PolarHBondContact O-N 3.49Å; A193-T195 VanDerWaalsContact C-N 3.28Å; A193-T195 PolarHBondContact O-N 3.32Å; A193-S196 PolarHBondContact O-OG 2.87Å; A193-S197 PolarHBondContact O-N 3.03Å |
| 194 | S | 86.3 | Confident | 79.2 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.3 | -28.8 | 177.2 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | V190 A191 | V190-S194 PolarHBondContact O-N 3.12Å; V190-S194 PolarHBondContact O-OG 2.79Å; A191-S194 PolarHBondContact O-OG 2.97Å |
| 195 | T | 81.6 | Confident | 77.2 | Confident | 41 Ų | 41 | 83.1 Ų | 83.1 | 25% | 0.252 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -78.2 | -34.9 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | A53 P54 A191 E192 A193 S197 S198 | A53-T195 WeakPolarHBondContact CB-OG1 3.41Å; P54-T195 HydrophobicContact CG-CG2 4.47Å; A191-T195 PolarHBondContact O-N 3.27Å; A191-T195 PolarHBondContact O-OG1 3.27Å; E192-T195 PolarHBondContact O-N 2.99Å; A193-T195 VanDerWaalsContact C-N 3.28Å; A193-T195 PolarHBondContact O-N 3.32Å; T195-S197 VanDerWaalsContact C-N 3.35Å; T195-S198 PolarHBondContact O-N 3.13Å; T195-S198 PolarHBondContact O-OG 2.7Å; T195-S198 VanDerWaalsContact O-OG 3.05Å |
| 196 | S | 75.1 | Confident | 76.2 | Confident | 86 Ų | 86 | 82.7 Ų | 82.7 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.5 | -31.4 | 176.9 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | E192 A193 S198 | E192-S196 PolarHBondContact O-N 2.68Å; A193-S196 PolarHBondContact O-OG 2.87Å; S196-S198 VanDerWaalsContact C-N 3.29Å; S196-S198 PolarHBondContact O-N 2.82Å |
| 197 | S | 63.5 | Low | 75.1 | Confident | 103 Ų | 103 | 83 Ų | 83 | 72% | 0.72 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.1 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 114.2 | A193 T195 | A193-S197 PolarHBondContact O-N 3.03Å; T195-S197 VanDerWaalsContact C-N 3.35Å |
| 198 | S | 57.3 | Low | 73.8 | Confident | 90 Ų | 90 | 87.6 Ų | 87.6 | 63% | 0.629 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 6.7 | 179.7 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | T195 S196 | T195-S198 PolarHBondContact O-N 3.13Å; T195-S198 PolarHBondContact O-OG 2.7Å; T195-S198 VanDerWaalsContact O-OG 3.05Å; S196-S198 VanDerWaalsContact C-N 3.29Å; S196-S198 PolarHBondContact O-N 2.82Å |
| 199 | A | 52.8 | Low | 72.4 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 58% | 0.579 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -61.5 | 126.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 200 | P | 54.9 | Low | 70.9 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 75% | 0.747 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 141.7 | 179.9 | 22.3 | -30.8 | 0 | 0 | 0 | 110 | ||
| 201 | P | 54.5 | Low | 69.2 | Low | 114 Ų | 114 | 93.9 Ų | 93.9 | 74% | 0.74 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 146.8 | 176 | 24.5 | -31.8 | 0 | 0 | 0 | 109.7 | ||
| 202 | P | 53.2 | Low | 67.3 | Low | 110 Ų | 110 | 100.6 Ų | 100.6 | 71% | 0.714 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 145.7 | 177.5 | 24.6 | -32.2 | 0 | 0 | 0 | 109.7 | S204 | P202-S204 PolarHBondContact O-N 3.04Š|
| 203 | P | 52 | Low | 65.1 | Low | 123 Ų | 123 | 104.3 Ų | 104.3 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 129.7 | 178.1 | 22.5 | -30.7 | 0 | 0 | 0 | 109.1 | E205 | P203-E205 PolarHBondContact O-N 3.45Š|
| 204 | S | 64.6 | Low | 62.7 | Low | 119 Ų | 119 | 108.3 Ų | 108.3 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 123 | 171.8 | -50.6 | 0 | 0 | 0 | 0 | 108.3 | P202 | P202-S204 PolarHBondContact O-N 3.04Š|
| 205 | E | 55.9 | Low | 60.5 | Low | 270 Ų | 270 | 112.8 Ų | 112.8 | 100% | 1.262 | 72% | 0.716 | S | S | * | * | trans | -61.6 | 0 | 168.9 | -70.1 | -175 | 110.9 | 0 | 0 | 111.8 | P203 | P203-E205 PolarHBondContact O-N 3.45Š|
Retrieved 205 of 205 residues in 527.6 ms
(Link to these results)