| 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 | 56.3 | Low | 50.6 | Low | 251 Ų | 251 | 125.7 Ų | 125.7 | 100% | 1.236 | 81% | 0.813 | S | S | * | * | 0 | 94.3 | 0 | -151.7 | 158.2 | 124.9 | 0 | 0 | 106.7 | |||||
| 2 | A | 56.3 | Low | 49.9 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -83.2 | 142.4 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3 | P | 62 | Low | 49.8 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | trans | -78.7 | 140.4 | 179.2 | 32.5 | -31.9 | 0 | 0 | 0 | 111 | ||||
| 4 | T | 56.9 | Low | 50 | Low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -86.3 | 113.7 | 178.4 | 42.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | A | 47.7 | Very low | 50.5 | Low | 106 Ų | 106 | 128.8 Ų | 128.8 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | trans | -80.6 | 115.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | K | 51.4 | Low | 51.4 | Low | 189 Ų | 189 | 123.9 Ų | 123.9 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -126.2 | 109.4 | 170.3 | -83 | -175.8 | 177.5 | 178.1 | 0 | 112.2 | ||||
| 7 | S | 40.7 | Very low | 52.1 | Low | 105 Ų | 105 | 119.6 Ų | 119.6 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | 62 | 104.6 | 141.9 | 62.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 8 | A | 47.8 | Very low | 53.1 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | -101.9 | 22.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 9 | T | 48.8 | Very low | 54.4 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | trans | -95.5 | -3.2 | -169.4 | 37.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 10 | G | 43.9 | Very low | 56 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -77.6 | -25.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | K12 | G10-K12 PolarHBondContact O-N 3.5Š|
| 11 | C | 44.7 | Very low | 57.5 | Low | 97 Ų | 97 | 109.1 Ų | 109.1 | 66% | 0.655 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.1 | -12.3 | -169.4 | -102 | 0 | 0 | 0 | 0 | 115.7 | ||
| 12 | K | 42.7 | Very low | 58.9 | Low | 172 Ų | 172 | 100.8 Ų | 100.8 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77.3 | -28.5 | -176.6 | -65.4 | -176 | -178.8 | -179.7 | 0 | 113.3 | G10 | G10-K12 PolarHBondContact O-N 3.5Å |
| 13 | K | 48.5 | Very low | 60.4 | Low | 177 Ų | 177 | 97.5 Ų | 97.5 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.9 | -36.1 | -176.6 | -69.3 | -175.7 | 179.6 | -179.1 | 0 | 113.4 | A16 L17 | K13-A16 PolarHBondContact O-N 3.17Å; K13-L17 PolarHBondContact O-N 3.31Å |
| 14 | A | 51.6 | Low | 61.7 | Low | 57 Ų | 57 | 91.3 Ų | 91.3 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A16 L17 E18 | A14-A16 VanDerWaalsContact C-N 3.3Å; A14-A16 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 3.07Å; A14-E18 PolarHBondContact O-N 2.97Å |
| 15 | K | 57.5 | Low | 63.2 | Low | 143 Ų | 143 | 86.9 Ų | 86.9 | 62% | 0.622 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -38.7 | 177.6 | -66.5 | -174.5 | 178.1 | -174.1 | 0 | 112.7 | S19 | K15-S19 PolarHBondContact O-N 3.03Å; K15-S19 VanDerWaalsContact O-N 3.12Å; K15-S19 PolarHBondContact O-OG 2.96Å; K15-S19 VanDerWaalsContact O-OG 3.05Å |
| 16 | A | 65.1 | Low | 65.2 | Low | 51 Ų | 51 | 85.9 Ų | 85.9 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K13 A14 S19 I20 | K13-A16 PolarHBondContact O-N 3.17Å; A14-A16 VanDerWaalsContact C-N 3.3Å; A14-A16 PolarHBondContact O-N 3.49Å; A16-S19 PolarHBondContact O-N 3.42Å; A16-I20 WeakPolarHBondContact O-CD1 3.39Å; A16-I20 WeakPolarHBondContact O-CG1 3.47Å; A16-I20 PolarHBondContact O-N 3.41Å; A16-I20 VanDerWaalsContact O-N 3.12Å |
| 17 | L | 64.5 | Low | 67.1 | Low | 51 Ų | 51 | 76.9 Ų | 76.9 | 27% | 0.267 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 179.4 | -168.3 | 117.5 | 0 | 0 | 0 | 111.9 | K13 A14 S19 I20 N21 Y80 N81 | K13-L17 PolarHBondContact O-N 3.31Å; A14-L17 PolarHBondContact O-N 3.07Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.06Å; L17-I20 PolarHBondContact O-N 2.75Å; L17-N21 PolarHBondContact O-N 2.75Å; L17-N21 VanDerWaalsContact O-N 3.09Å; L17-N21 PolarHBondContact O-ND2 2.91Å; L17-Y80 HydrophobicContact CD1-CE2 4.23Å; L17-Y80 HydrophobicContact CG-CE2 4.35Å; L17-N81 HydrophobicContact CD1-CB 3.78Å |
| 18 | E | 69.1 | Low | 69.4 | Low | 127 Ų | 127 | 74.2 Ų | 74.2 | 59% | 0.593 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.7 | -39.3 | 175.1 | -73.1 | 173.7 | -175.9 | 0 | 0 | 111.9 | A14 N21 S22 | A14-E18 PolarHBondContact O-N 2.97Å; E18-N21 PolarHBondContact O-N 3.31Å; E18-S22 PolarHBondContact O-N 3.12Å; E18-S22 VanDerWaalsContact O-N 3.13Å; E18-S22 PolarHBondContact O-OG 2.93Å |
| 19 | S | 78.7 | Confident | 71.4 | Confident | 70 Ų | 70 | 78 Ų | 78 | 49% | 0.49 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 174.5 | -62.4 | 0 | 0 | 0 | 0 | 112 | K15 A16 L17 N21 S22 C23 | K15-S19 PolarHBondContact O-N 3.03Å; K15-S19 VanDerWaalsContact O-N 3.12Å; K15-S19 PolarHBondContact O-OG 2.96Å; K15-S19 VanDerWaalsContact O-OG 3.05Å; A16-S19 PolarHBondContact O-N 3.42Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.06Å; S19-N21 VanDerWaalsContact C-N 3.35Å; S19-N21 PolarHBondContact O-N 3.23Å; S19-S22 PolarHBondContact O-N 3.2Å; S19-C23 PolarHBondContact O-N 3.4Å; S19-C23 PolarHBondContact O-SG 3.46Å |
| 20 | I | 85.1 | Confident | 73.4 | Confident | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.108 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 179.7 | -65.9 | 155.9 | 0 | 0 | 0 | 111.1 | A16 L17 S22 C23 L24 H78 Y80 | A16-I20 WeakPolarHBondContact O-CD1 3.39Å; A16-I20 WeakPolarHBondContact O-CG1 3.47Å; A16-I20 PolarHBondContact O-N 3.41Å; A16-I20 VanDerWaalsContact O-N 3.12Å; L17-I20 PolarHBondContact O-N 2.75Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.37Å; I20-C23 WeakPolarHBondContact O-CB 3.38Å; I20-C23 PolarHBondContact O-N 3.01Å; I20-L24 HydrophobicContact CG2-CD1 3.97Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.82Å; I20-H78 VanDerWaalsContact CD1-NE2 3.26Å; I20-H78 WeakPolarHBondContact CD1-NE2 3.48Å; I20-Y80 HydrophobicContact CG2-CD2 4.27Å; I20-Y80 HydrophobicContact CG2-CE2 4.39Å |
| 21 | N | 87.9 | Confident | 75.6 | Confident | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.214 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 179 | -69.7 | -18.1 | 0 | 0 | 0 | 112.1 | L17 E18 S19 L24 A25 Y80 A90 | L17-N21 PolarHBondContact O-N 2.75Å; L17-N21 VanDerWaalsContact O-N 3.09Å; L17-N21 PolarHBondContact O-ND2 2.91Å; E18-N21 PolarHBondContact O-N 3.31Å; S19-N21 VanDerWaalsContact C-N 3.35Å; S19-N21 PolarHBondContact O-N 3.23Å; N21-L24 PolarHBondContact O-N 3.12Å; N21-A25 PolarHBondContact O-N 3.27Å; N21-Y80 PolarHBondContact ND2-OH 3.31Å; N21-Y80 VanDerWaalsContact OD1-CE2 3.24Å; N21-Y80 WeakPolarHBondContact OD1-CE2 3.48Å; N21-Y80 PolarHBondContact OD1-OH 2.85Å; N21-A90 HydrophobicContact CB-CB 4.17Å; N21-A90 WeakPolarHBondContact OD1-CB 3.47Å |
| 22 | S | 86.7 | Confident | 77.8 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | E18 S19 I20 L24 A25 L26 | E18-S22 PolarHBondContact O-N 3.12Å; E18-S22 VanDerWaalsContact O-N 3.13Å; E18-S22 PolarHBondContact O-OG 2.93Å; S19-S22 PolarHBondContact O-N 3.2Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.37Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 3.48Å; S22-A25 PolarHBondContact O-N 3.46Å; S22-L26 PolarHBondContact O-N 3.49Å; S22-L26 VanDerWaalsContact O-N 3.15Å |
| 23 | C | 86.9 | Confident | 80.2 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 173.7 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | S19 I20 A25 L26 V27 I110 | S19-C23 PolarHBondContact O-N 3.4Å; S19-C23 PolarHBondContact O-SG 3.46Å; I20-C23 WeakPolarHBondContact O-CB 3.38Å; I20-C23 PolarHBondContact O-N 3.01Å; C23-A25 PolarHBondContact O-N 3.2Å; C23-L26 WeakPolarHBondContact O-CB 3.24Å; C23-L26 PolarHBondContact O-N 2.92Å; C23-V27 WeakPolarHBondContact O-CG2 3.24Å; C23-V27 PolarHBondContact O-N 2.91Å; C23-I110 HydrophobicContact CB-CB 4.07Å; C23-I110 HydrophobicContact CB-CD1 4.13Å; C23-I110 HydrophobicContact CB-CG1 4.18Å |
| 24 | L | 89.2 | Confident | 82.3 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 179 | -73.5 | 171.1 | 0 | 0 | 0 | 112.9 | I20 N21 S22 L26 V27 M28 I53 L87 A90 I102 I110 | I20-L24 HydrophobicContact CG2-CD1 3.97Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.82Å; N21-L24 PolarHBondContact O-N 3.12Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 3.48Å; L24-L26 PolarHBondContact O-N 2.9Å; L24-V27 PolarHBondContact O-N 3.09Å; L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.36Å; L24-M28 PolarHBondContact O-N 3.26Å; L24-I53 HydrophobicContact CD1-CD1 4.39Å; L24-I53 HydrophobicContact CD2-CD1 3.4Å; L24-I53 VanDerWaalsContact CD2-CD1 3.4Å; L24-I53 HydrophobicContact CG-CD1 4.32Å; L24-L87 HydrophobicContact CD1-CD2 4.21Å; L24-A90 HydrophobicContact CD1-CB 4.27Å; L24-I102 HydrophobicContact CD2-CD1 4.49Å; L24-I110 HydrophobicContact CD2-CD1 3.67Å; L24-I110 HydrophobicContact CG-CD1 4.01Å |
| 25 | A | 88.9 | Confident | 84.2 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N21 S22 C23 K29 | N21-A25 PolarHBondContact O-N 3.27Å; S22-A25 PolarHBondContact O-N 3.46Å; C23-A25 PolarHBondContact O-N 3.2Å; A25-K29 WeakPolarHBondContact O-CG 3.5Å |
| 26 | L | 89.8 | Confident | 85.8 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 45% | 0.445 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.7 | -45.4 | 173.6 | -69.7 | 174.7 | 0 | 0 | 0 | 112.1 | S22 C23 L24 M28 K29 S30 | S22-L26 PolarHBondContact O-N 3.49Å; S22-L26 VanDerWaalsContact O-N 3.15Å; C23-L26 WeakPolarHBondContact O-CB 3.24Å; C23-L26 PolarHBondContact O-N 2.92Å; L24-L26 PolarHBondContact O-N 2.9Å; L26-M28 PolarHBondContact O-N 3.29Å; L26-K29 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.25Å; L26-S30 VanDerWaalsContact O-OG 3.1Å |
| 27 | V | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 178.3 | -161 | 0 | 0 | 0 | 0 | 110.6 | C23 L24 K29 G31 C33 I102 S108 I110 | C23-V27 WeakPolarHBondContact O-CG2 3.24Å; C23-V27 PolarHBondContact O-N 2.91Å; L24-V27 PolarHBondContact O-N 3.09Å; V27-K29 PolarHBondContact O-N 3.49Å; V27-G31 CarbonylContact O-C 3.59Å; V27-G31 WeakPolarHBondContact O-CA 2.94Å; V27-G31 PolarHBondContact O-N 3.26Å; V27-C33 WeakPolarHBondContact CG1-SG 3.3Å; V27-I102 HydrophobicContact CG1-CG1 4.38Å; V27-I102 HydrophobicContact CG1-CG2 3.95Å; V27-S108 WeakPolarHBondContact CG2-OG 3.39Å; V27-I110 HydrophobicContact CG2-CD1 4.47Å; V27-I110 HydrophobicContact CG2-CG2 4.12Å |
| 28 | M | 89.8 | Confident | 88.4 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66 | -22.8 | 176.5 | -72.7 | -70.1 | 148.3 | 0 | 0 | 114.2 | L24 L26 C33 I35 C91 L100 | L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.36Å; L24-M28 PolarHBondContact O-N 3.26Å; L26-M28 PolarHBondContact O-N 3.29Å; M28-C33 HydrophobicContact CE-CB 3.55Å; M28-C33 HydrophobicContact SD-CB 4.47Å; M28-I35 HydrophobicContact CE-CD1 4.18Å; M28-I35 HydrophobicContact CE-CG1 4.45Å; M28-I35 HydrophobicContact SD-CD1 4.44Å; M28-C91 HydrophobicContact CE-CB 3.98Å; M28-C91 HydrophobicContact CG-CB 4.07Å; M28-C91 WeakPolarHBondContact CG-O 3.48Å; M28-C91 HydrophobicContact SD-CB 4.22Å; M28-L100 HydrophobicContact CE-CD1 3.38Å; M28-L100 HydrophobicContact CE-CG 4.47Å |
| 29 | K | 89.9 | Confident | 89.6 | Confident | 178 Ų | 178 | 59.2 Ų | 59.2 | 77% | 0.774 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -93.1 | -47.6 | 179.8 | -69.5 | 175.4 | -177.7 | 179.7 | 0 | 112.4 | A25 L26 V27 | A25-K29 WeakPolarHBondContact O-CG 3.5Å; L26-K29 PolarHBondContact O-N 3Å; V27-K29 PolarHBondContact O-N 3.49Å |
| 30 | S | 90.3 | Very high | 90.2 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -102.7 | -23 | -172.5 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | L26 D107 | L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.25Å; L26-S30 VanDerWaalsContact O-OG 3.1Å; S30-D107 WeakPolarHBondContact CB-OD2 3.48Å; S30-D107 PolarHBondContact OG-N 3.41Å |
| 31 | G | 88.8 | Confident | 90.6 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -104.2 | -177.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V27 D104 | V27-G31 CarbonylContact O-C 3.59Å; V27-G31 WeakPolarHBondContact O-CA 2.94Å; V27-G31 PolarHBondContact O-N 3.26Å; G31-D104 VanDerWaalsContact CA-O 3.3Å; G31-D104 WeakPolarHBondContact CA-O 3.3Å |
| 32 | K | 92.3 | Very high | 90.8 | Very high | 127 Ų | 127 | 61.7 Ų | 61.7 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119.9 | 172.5 | -63.4 | -174.8 | -165.1 | 149.6 | 0 | 109.8 | E103 D104 | K32-E103 HydrophobicContact CB-CB 4.23Å; K32-E103 PolarHBondContact O-N 3.28Å; K32-D104 HydrophobicContact CB-CB 4.03Å; K32-D104 WeakPolarHBondContact CD-OD2 3.42Å; K32-D104 HydrophobicContact CG-CB 4.34Å; K32-D104 PolarHBondContact N-O 2.96Å; K32-D104 IonicContact NZ-OD2 3.5Å; K32-D104 PolarHBondContact NZ-OD2 3.48Å; K32-D104 PolarHBondContact O-N 3.46Å; K32-D104 VanDerWaalsContact O-N 3.12Å |
| 33 | C | 92 | Very high | 91.1 | Very high | 33 Ų | 33 | 59 Ų | 59 | 22% | 0.223 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146 | 179.7 | -70.2 | 0 | 0 | 0 | 0 | 110.8 | V27 M28 L100 A101 | V27-C33 WeakPolarHBondContact CG1-SG 3.3Å; M28-C33 HydrophobicContact CE-CB 3.55Å; M28-C33 HydrophobicContact SD-CB 4.47Å; C33-L100 HydrophobicContact CB-CD2 4.33Å; C33-A101 WeakPolarHBondContact CA-O 3.47Å |
| 34 | S | 92.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.2 | 175.5 | -84.9 | 0 | 0 | 0 | 0 | 109.4 | Q39 L43 A101 E103 | S34-Q39 VanDerWaalsContact CB-NE2 3.34Å; S34-Q39 PolarHBondContact OG-NE2 3.35Å; S34-L43 VanDerWaalsContact OG-CD1 3.3Å; S34-L43 WeakPolarHBondContact OG-CD1 3.35Å; S34-A101 PolarHBondContact N-O 3.37Å; S34-A101 PolarHBondContact O-N 3.31Å; S34-E103 PolarHBondContact OG-OE1 3.12Å |
| 35 | I | 92.1 | Very high | 91.4 | Very high | 37 Ų | 37 | 66.2 Ų | 66.2 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.2 | -171.8 | -56 | 179.7 | 0 | 0 | 0 | 109.8 | M28 Q39 K93 F95 V97 L100 | M28-I35 HydrophobicContact CE-CD1 4.18Å; M28-I35 HydrophobicContact CE-CG1 4.45Å; M28-I35 HydrophobicContact SD-CD1 4.44Å; I35-Q39 PolarHBondContact O-OE1 3.31Å; I35-K93 HydrophobicContact CD1-CG 4.13Å; I35-F95 HydrophobicContact CD1-CZ 4.38Å; I35-F95 HydrophobicContact CG2-CE2 3.94Å; I35-F95 HydrophobicContact CG2-CZ 4.38Å; I35-V97 HydrophobicContact CG2-CB 4.19Å; I35-V97 HydrophobicContact CG2-CG1 3.62Å; I35-V97 HydrophobicContact CG2-CG2 3.55Å; I35-L100 HydrophobicContact CG1-CD1 3.95Å |
| 36 | G | 92 | Very high | 91.5 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 94.3 | 154.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | R38 Q39 T40 T99 | G36-R38 PolarHBondContact O-N 2.97Å; G36-Q39 PolarHBondContact O-N 3.29Å; G36-T40 WeakPolarHBondContact O-CG2 3.35Å; G36-T40 PolarHBondContact O-N 2.91Å; G36-T40 PolarHBondContact O-OG1 3.26Å; G36-T99 PolarHBondContact N-O 3.18Å |
| 37 | L | 91.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 70 Ų | 70 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | -167.3 | -177.4 | 152.1 | 0 | 0 | 0 | 114.2 | Q39 T40 L41 R62 I66 T99 | L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 2.62Å; L37-T40 WeakPolarHBondContact CA-OG1 3.16Å; L37-T40 PolarHBondContact O-N 2.88Å; L37-T40 PolarHBondContact O-OG1 3.1Å; L37-L41 HydrophobicContact CD2-CD1 3.48Å; L37-L41 VanDerWaalsContact CD2-CD1 3.48Å; L37-L41 HydrophobicContact CD2-CG 4.15Å; L37-L41 HydrophobicContact CG-CD1 4.25Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å; L37-L41 PolarHBondContact O-N 2.82Å; L37-R62 HydrophobicContact CD1-CB 3.84Å; L37-R62 HydrophobicContact CD1-CG 3.63Å; L37-I66 HydrophobicContact CD1-CD1 4.43Å; L37-I66 HydrophobicContact CG-CD1 4.49Å; L37-T99 PolarHBondContact N-OG1 3.36Å |
| 38 | R | 92.1 | Very high | 91.2 | Very high | 228 Ų | 228 | 71.7 Ų | 71.7 | 86% | 0.86 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | -178.5 | -67.3 | -176.2 | 179.8 | -162.9 | -0.3 | 111.6 | G36 R42 | G36-R38 PolarHBondContact O-N 2.97Å; R38-R42 WeakPolarHBondContact O-CB 3.3Å; R38-R42 PolarHBondContact O-N 2.86Å; R38-R42 VanDerWaalsContact O-N 3.12Å |
| 39 | Q | 93.1 | Very high | 91.2 | Very high | 94 Ų | 94 | 69.6 Ų | 69.6 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.8 | -42.4 | -179.6 | -159.6 | 174.1 | -23 | 0 | 0 | 110.8 | S34 I35 G36 L37 L41 R42 L43 | S34-Q39 VanDerWaalsContact CB-NE2 3.34Å; S34-Q39 PolarHBondContact OG-NE2 3.35Å; I35-Q39 PolarHBondContact O-OE1 3.31Å; G36-Q39 PolarHBondContact O-N 3.29Å; L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 2.62Å; Q39-L41 PolarHBondContact O-N 3.1Å; Q39-R42 WeakPolarHBondContact O-CB 3.48Å; Q39-R42 PolarHBondContact O-N 3.48Å; Q39-L43 PolarHBondContact O-N 2.81Å |
| 40 | T | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | G36 L37 R42 L43 L44 A101 | G36-T40 WeakPolarHBondContact O-CG2 3.35Å; G36-T40 PolarHBondContact O-N 2.91Å; G36-T40 PolarHBondContact O-OG1 3.26Å; L37-T40 WeakPolarHBondContact CA-OG1 3.16Å; L37-T40 PolarHBondContact O-N 2.88Å; L37-T40 PolarHBondContact O-OG1 3.1Å; T40-R42 VanDerWaalsContact C-N 3.35Å; T40-R42 PolarHBondContact O-N 3.38Å; T40-L43 PolarHBondContact O-N 3.23Å; T40-L44 WeakPolarHBondContact O-CB 3.14Å; T40-L44 WeakPolarHBondContact O-CG 3.47Å; T40-L44 PolarHBondContact O-N 3.46Å; T40-A101 HydrophobicContact CG2-CB 3.55Å |
| 41 | L | 92.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.2 | -72.7 | -179.3 | 0 | 0 | 0 | 112.5 | L37 Q39 L43 L44 R45 E65 I66 Y69 | L37-L41 HydrophobicContact CD2-CD1 3.48Å; L37-L41 VanDerWaalsContact CD2-CD1 3.48Å; L37-L41 HydrophobicContact CD2-CG 4.15Å; L37-L41 HydrophobicContact CG-CD1 4.25Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å; L37-L41 PolarHBondContact O-N 2.82Å; Q39-L41 PolarHBondContact O-N 3.1Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L41-L44 HydrophobicContact CD2-CD1 4.28Å; L41-L44 PolarHBondContact O-N 2.86Å; L41-R45 VanDerWaalsContact O-CG 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.16Å; L41-R45 PolarHBondContact O-N 3.18Å; L41-E65 HydrophobicContact CD2-CG 4.42Å; L41-I66 HydrophobicContact CD2-CG1 4.43Å; L41-Y69 HydrophobicContact CD2-CD2 3.42Å; L41-Y69 VanDerWaalsContact CD2-CD2 3.42Å; L41-Y69 HydrophobicContact CD2-CE2 3.79Å; L41-Y69 HydrophobicContact CD2-CG 4.19Å |
| 42 | R | 92.9 | Very high | 91.4 | Very high | 168 Ų | 168 | 64.6 Ų | 64.6 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 176.2 | -171.3 | 180 | -173.8 | -171.2 | 1.3 | 111.6 | R38 Q39 T40 K46 | R38-R42 WeakPolarHBondContact O-CB 3.3Å; R38-R42 PolarHBondContact O-N 2.86Å; R38-R42 VanDerWaalsContact O-N 3.12Å; Q39-R42 WeakPolarHBondContact O-CB 3.48Å; Q39-R42 PolarHBondContact O-N 3.48Å; T40-R42 VanDerWaalsContact C-N 3.35Å; T40-R42 PolarHBondContact O-N 3.38Å; R42-K46 WeakPolarHBondContact O-CG 3.4Å; R42-K46 PolarHBondContact O-N 2.91Å |
| 43 | L | 92.7 | Very high | 91.4 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.7 | -42 | 177.3 | -72.1 | -178.4 | 0 | 0 | 0 | 113.5 | S34 Q39 T40 L41 R45 K46 G47 G48 A49 A101 E103 | S34-L43 VanDerWaalsContact OG-CD1 3.3Å; S34-L43 WeakPolarHBondContact OG-CD1 3.35Å; Q39-L43 PolarHBondContact O-N 2.81Å; T40-L43 PolarHBondContact O-N 3.23Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.13Å; L43-K46 CarbonylContact O-C 3.57Å; L43-K46 WeakPolarHBondContact O-CA 3.37Å; L43-K46 PolarHBondContact O-N 3.15Å; L43-G47 PolarHBondContact O-N 2.82Å; L43-G48 PolarHBondContact O-N 3.34Å; L43-A49 HydrophobicContact CB-CB 4.28Å; L43-A101 HydrophobicContact CD1-CB 3.77Å; L43-E103 HydrophobicContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD1-OE1 3.4Å; L43-E103 HydrophobicContact CD2-CG 3.96Å; L43-E103 VanDerWaalsContact CD2-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD2-OE1 3.39Å; L43-E103 HydrophobicContact CG-CG 4.32Å |
| 44 | L | 91.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.1 | -47.9 | 174.7 | -86.6 | 166.3 | 0 | 0 | 0 | 110.9 | T40 L41 K46 G47 I52 I66 A70 S73 | T40-L44 WeakPolarHBondContact O-CB 3.14Å; T40-L44 WeakPolarHBondContact O-CG 3.47Å; T40-L44 PolarHBondContact O-N 3.46Å; L41-L44 HydrophobicContact CD2-CD1 4.28Å; L41-L44 PolarHBondContact O-N 2.86Å; L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 PolarHBondContact O-N 3.33Å; L44-G47 PolarHBondContact O-N 3.49Å; L44-I52 HydrophobicContact CD1-CD1 3.76Å; L44-I52 HydrophobicContact CD2-CD1 3.31Å; L44-I52 HydrophobicContact CG-CD1 3.69Å; L44-I66 HydrophobicContact CD1-CG2 4.25Å; L44-A70 HydrophobicContact CD2-CB 4.09Å; L44-S73 WeakPolarHBondContact CD2-OG 3.19Å |
| 45 | R | 89.9 | Confident | 91.5 | Very high | 173 Ų | 173 | 57 Ų | 57 | 65% | 0.653 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.1 | -29 | 176.1 | -71.3 | 175.3 | -178 | 177.8 | 0.3 | 113.8 | L41 L43 Y69 | L41-R45 VanDerWaalsContact O-CG 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.16Å; L41-R45 PolarHBondContact O-N 3.18Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.13Å; R45-Y69 PolarHBondContact NH2-OH 3.42Å |
| 46 | K | 91.5 | Very high | 91.5 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 65% | 0.652 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -83 | -14.2 | 175.6 | -73.2 | -179 | 174.9 | -167.8 | 0 | 113.2 | R42 L43 L44 G48 | R42-K46 WeakPolarHBondContact O-CG 3.4Å; R42-K46 PolarHBondContact O-N 2.91Å; L43-K46 CarbonylContact O-C 3.57Å; L43-K46 WeakPolarHBondContact O-CA 3.37Å; L43-K46 PolarHBondContact O-N 3.15Å; L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 PolarHBondContact O-N 3.33Å; K46-G48 VanDerWaalsContact C-N 3.28Å; K46-G48 PolarHBondContact O-N 2.89Å |
| 47 | G | 87.3 | Confident | 91.5 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 17.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L43 L44 | L43-G47 PolarHBondContact O-N 2.82Å; L44-G47 PolarHBondContact O-N 3.49Å |
| 48 | G | 87.8 | Confident | 91.4 | Very high | 36 Ų | 36 | 60.7 Ų | 60.7 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | trans | -90.6 | -11.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | L43 K46 | L43-G48 PolarHBondContact O-N 3.34Å; K46-G48 VanDerWaalsContact C-N 3.28Å; K46-G48 PolarHBondContact O-N 2.89Å | ||
| 49 | A | 90.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | -80 | 135.4 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | L43 I52 T75 A101 | L43-A49 HydrophobicContact CB-CB 4.28Å; A49-I52 HydrophobicContact CB-CG1 4.44Å; A49-T75 HydrophobicContact CB-CG2 4.42Å; A49-T75 WeakPolarHBondContact O-CG2 3.34Å; A49-A101 HydrophobicContact CB-CB 4.26Å | ||
| 50 | R | 89.4 | Confident | 91.2 | Very high | 145 Ų | 145 | 52.5 Ų | 52.5 | 55% | 0.547 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -99.2 | -38.8 | 173.2 | -66.5 | -175.9 | 176.6 | -171.9 | 0.3 | 112.4 | G76 I102 E103 I111 | R50-G76 PolarHBondContact O-N 3.46Å; R50-I102 PolarHBondContact N-O 2.87Å; R50-E103 VanDerWaalsContact CD-O 3.24Å; R50-E103 WeakPolarHBondContact CD-O 3.41Å; R50-E103 WeakPolarHBondContact CG-O 3.24Å; R50-I111 HydrophobicContact CB-CD1 3.82Å; R50-I111 HydrophobicContact CG-CD1 4.46Å |
| 51 | L | 91.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.9 | -179.9 | -177.8 | 66.3 | 0 | 0 | 0 | 110 | I53 G76 H78 I102 I110 A114 | L51-I53 HydrophobicContact CG-CG1 4.48Å; L51-G76 WeakPolarHBondContact CA-O 3.39Å; L51-H78 HydrophobicContact CD1-CB 4.22Å; L51-I102 HydrophobicContact CB-CB 4.35Å; L51-I102 HydrophobicContact CB-CD1 4.24Å; L51-I102 HydrophobicContact CD2-CD1 3.92Å; L51-I102 HydrophobicContact CG-CD1 4.33Å; L51-I102 PolarHBondContact N-O 3.09Å; L51-I102 PolarHBondContact O-N 3.46Å; L51-I110 HydrophobicContact CD2-CB 4.42Å; L51-I110 HydrophobicContact CD2-CD1 4.27Å; L51-I110 HydrophobicContact CD2-CG1 3.79Å; L51-I110 HydrophobicContact CD2-CG2 4.08Å; L51-A114 HydrophobicContact CD1-CB 3.75Å |
| 52 | I | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.4 | 175.7 | -65.4 | 158.7 | 0 | 0 | 0 | 109.2 | L44 A49 I54 I66 A70 G76 V77 H78 L100 A101 | L44-I52 HydrophobicContact CD1-CD1 3.76Å; L44-I52 HydrophobicContact CD2-CD1 3.31Å; L44-I52 HydrophobicContact CG-CD1 3.69Å; A49-I52 HydrophobicContact CB-CG1 4.44Å; I52-I54 HydrophobicContact CG2-CG1 4.07Å; I52-I66 HydrophobicContact CD1-CG2 4.43Å; I52-I66 HydrophobicContact CG2-CG2 3.71Å; I52-A70 HydrophobicContact CD1-CB 3.87Å; I52-G76 PolarHBondContact N-O 3.4Å; I52-V77 CarbonylContact O-C 3.56Å; I52-V77 WeakPolarHBondContact O-CA 3.33Å; I52-H78 PolarHBondContact O-N 3.08Å; I52-L100 CarbonylContact C-O 3.52Å; I52-L100 WeakPolarHBondContact CA-O 3.5Å; I52-A101 HydrophobicContact CG1-CB 4.3Å |
| 53 | I | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128 | 179.1 | -61.5 | 170.1 | 0 | 0 | 0 | 108.6 | L24 L51 H78 L87 T99 L100 I102 I110 | L24-I53 HydrophobicContact CD1-CD1 4.39Å; L24-I53 HydrophobicContact CD2-CD1 3.4Å; L24-I53 VanDerWaalsContact CD2-CD1 3.4Å; L24-I53 HydrophobicContact CG-CD1 4.32Å; L51-I53 HydrophobicContact CG-CG1 4.48Å; I53-H78 WeakPolarHBondContact CA-O 3.32Å; I53-H78 HydrophobicContact CG1-CB 4.28Å; I53-L87 HydrophobicContact CG2-CD1 4.22Å; I53-L87 HydrophobicContact CG2-CD2 4.02Å; I53-T99 WeakPolarHBondContact O-CA 3.34Å; I53-L100 PolarHBondContact N-O 2.87Å; I53-L100 PolarHBondContact O-N 2.97Å; I53-I102 HydrophobicContact CD1-CD1 3.87Å; I53-I110 HydrophobicContact CD1-CD1 3.84Å |
| 54 | I | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.4 | -177 | -55.1 | 179.7 | 0 | 0 | 0 | 108.4 | I52 A58 K63 I66 E67 V77 H78 Y80 | I52-I54 HydrophobicContact CG2-CG1 4.07Å; I54-A58 HydrophobicContact CG2-CB 4.02Å; I54-K63 HydrophobicContact CG2-CD 4.24Å; I54-K63 HydrophobicContact CG2-CG 3.83Å; I54-I66 HydrophobicContact CD1-CB 4.3Å; I54-I66 HydrophobicContact CD1-CG2 3.9Å; I54-I66 HydrophobicContact CG1-CG2 4.43Å; I54-E67 HydrophobicContact CD1-CG 4.35Å; I54-V77 HydrophobicContact CD1-CG1 3.62Å; I54-V77 HydrophobicContact CG1-CG1 4.17Å; I54-H78 PolarHBondContact N-O 3.24Å; I54-Y80 WeakPolarHBondContact O-CB 3.45Å; I54-Y80 PolarHBondContact O-N 3.02Å |
| 55 | A | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 152.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N57 A58 K63 N84 L87 S98 | A55-N57 VanDerWaalsContact C-N 3.34Å; A55-N57 PolarHBondContact O-N 2.93Å; A55-A58 WeakPolarHBondContact O-CB 3.2Å; A55-A58 PolarHBondContact O-N 3.2Å; A55-K63 WeakPolarHBondContact O-CE 3.32Å; A55-N84 WeakPolarHBondContact CB-OD1 3.35Å; A55-L87 HydrophobicContact CB-CD1 3.6Å; A55-L87 HydrophobicContact CB-CG 4.42Å; A55-S98 WeakPolarHBondContact CB-O 3.5Å; A55-S98 PolarHBondContact N-O 3.45Å |
| 56 | N | 91.4 | Very high | 91.2 | Very high | 86 Ų | 86 | 56 Ų | 56 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -38.9 | 179.9 | -165.5 | 4.6 | 0 | 0 | 0 | 112.8 | A58 K63 Y80 N81 G82 | N56-A58 VanDerWaalsContact C-N 3.35Å; N56-A58 PolarHBondContact O-N 3.04Å; N56-K63 WeakPolarHBondContact O-CE 3.44Å; N56-K63 PolarHBondContact O-NZ 3.15Å; N56-Y80 WeakPolarHBondContact CB-O 3.2Å; N56-Y80 PolarHBondContact N-O 2.9Å; N56-Y80 VanDerWaalsContact N-O 3.1Å; N56-N81 WeakPolarHBondContact CB-O 3.27Å; N56-N81 PolarHBondContact ND2-O 3.32Å; N56-N81 VanDerWaalsContact ND2-O 3.09Å; N56-G82 VanDerWaalsContact CB-O 3.3Å; N56-G82 WeakPolarHBondContact CB-O 3.32Å; N56-G82 PolarHBondContact N-O 3.2Å |
| 57 | N | 92.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 15.7 | -178.7 | 69.1 | -35.5 | 0 | 0 | 0 | 114.6 | A55 T83 N84 | A55-N57 VanDerWaalsContact C-N 3.34Å; A55-N57 PolarHBondContact O-N 2.93Å; N57-T83 WeakPolarHBondContact OD1-CA 3.33Å; N57-N84 PolarHBondContact OD1-N 3.25Å; N57-N84 PolarHBondContact OD1-OD1 3.32Å |
| 58 | A | 89.9 | Confident | 91.5 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -65.3 | 139.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I54 A55 N56 K63 | I54-A58 HydrophobicContact CG2-CB 4.02Å; A55-A58 WeakPolarHBondContact O-CB 3.2Å; A55-A58 PolarHBondContact O-N 3.2Å; N56-A58 VanDerWaalsContact C-N 3.35Å; N56-A58 PolarHBondContact O-N 3.04Å; A58-K63 HydrophobicContact CB-CD 4.46Å; A58-K63 HydrophobicContact CB-CG 3.93Å; A58-K63 WeakPolarHBondContact O-CE 3.47Å |
| 59 | P | 91.5 | Very high | 91.7 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | trans | -55.9 | 139.1 | 177.7 | -27.2 | 34.6 | 0 | 0 | 0 | 112.2 | L61 R62 K63 | P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.27Å; P59-R62 HydrophobicContact CB-CG 4.43Å; P59-R62 PolarHBondContact O-N 2.95Å; P59-K63 PolarHBondContact O-N 3.15Å | ||
| 60 | P | 90.7 | Very high | 91.8 | Very high | 101 Ų | 101 | 57.5 Ų | 57.5 | 66% | 0.656 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.2 | -41.2 | -173.4 | 21.5 | -32.7 | 0 | 0 | 0 | 112.5 | R62 K63 T64 | P60-R62 VanDerWaalsContact C-N 3.25Å; P60-R62 PolarHBondContact O-N 3.37Å; P60-K63 WeakPolarHBondContact O-CB 3.37Å; P60-K63 PolarHBondContact O-N 3.18Å; P60-K63 VanDerWaalsContact O-N 3.11Å; P60-T64 PolarHBondContact O-N 3.12Å; P60-T64 PolarHBondContact O-OG1 3.47Å |
| 61 | L | 91.8 | Very high | 91.8 | Very high | 143 Ų | 143 | 58 Ų | 58 | 75% | 0.749 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -56.6 | -35.5 | 176.4 | -69.5 | 167.5 | 0 | 0 | 0 | 113.7 | P59 T64 E65 | P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.27Å; L61-T64 PolarHBondContact O-OG1 2.98Å; L61-E65 WeakPolarHBondContact O-CB 3.4Å; L61-E65 PolarHBondContact O-N 3.14Å |
| 62 | R | 90.3 | Very high | 91.7 | Very high | 117 Ų | 117 | 63.1 Ų | 63.1 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79.7 | -32.9 | 179.1 | -66 | 179 | -169.1 | 152.8 | 7.9 | 111.8 | L37 P59 P60 I66 | L37-R62 HydrophobicContact CD1-CB 3.84Å; L37-R62 HydrophobicContact CD1-CG 3.63Å; P59-R62 HydrophobicContact CB-CG 4.43Å; P59-R62 PolarHBondContact O-N 2.95Å; P60-R62 VanDerWaalsContact C-N 3.25Å; P60-R62 PolarHBondContact O-N 3.37Å; R62-I66 WeakPolarHBondContact O-CD1 3.03Å; R62-I66 VanDerWaalsContact O-CG1 3.27Å; R62-I66 WeakPolarHBondContact O-CG1 3.3Å; R62-I66 PolarHBondContact O-N 3.36Å; R62-I66 VanDerWaalsContact O-N 3.13Å |
| 63 | K | 91.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 18% | 0.183 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -51.3 | 175.7 | -63.5 | -169.8 | 172 | 170.6 | 0 | 110 | I54 A55 N56 A58 P59 P60 E65 I66 E67 | I54-K63 HydrophobicContact CG2-CD 4.24Å; I54-K63 HydrophobicContact CG2-CG 3.83Å; A55-K63 WeakPolarHBondContact O-CE 3.32Å; N56-K63 WeakPolarHBondContact O-CE 3.44Å; N56-K63 PolarHBondContact O-NZ 3.15Å; A58-K63 HydrophobicContact CB-CD 4.46Å; A58-K63 HydrophobicContact CB-CG 3.93Å; A58-K63 WeakPolarHBondContact O-CE 3.47Å; P59-K63 PolarHBondContact O-N 3.15Å; P60-K63 WeakPolarHBondContact O-CB 3.37Å; P60-K63 PolarHBondContact O-N 3.18Å; P60-K63 VanDerWaalsContact O-N 3.11Å; K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.5Å; K63-I66 PolarHBondContact O-N 3.46Å; K63-E67 WeakPolarHBondContact O-CB 3.41Å; K63-E67 VanDerWaalsContact O-CG 3.29Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 2.83Å |
| 64 | T | 92.9 | Very high | 91.3 | Very high | 81 Ų | 81 | 73.4 Ų | 73.4 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 179 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | P60 L61 Y68 | P60-T64 PolarHBondContact O-N 3.12Å; P60-T64 PolarHBondContact O-OG1 3.47Å; L61-T64 PolarHBondContact O-OG1 2.98Å; T64-Y68 VanDerWaalsContact O-CB 3.26Å; T64-Y68 WeakPolarHBondContact O-CB 3.47Å; T64-Y68 PolarHBondContact O-N 2.77Å |
| 65 | E | 92.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 174.6 | -175.8 | -179 | -166 | 0 | 0 | 111.6 | L41 L61 K63 Y68 Y69 | L41-E65 HydrophobicContact CD2-CG 4.42Å; L61-E65 WeakPolarHBondContact O-CB 3.4Å; L61-E65 PolarHBondContact O-N 3.14Å; K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.5Å; E65-Y68 PolarHBondContact O-N 2.83Å; E65-Y69 HydrophobicContact CG-CD2 4.04Å; E65-Y69 HydrophobicContact CG-CE2 3.8Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å; E65-Y69 PolarHBondContact O-N 3.49Å; E65-Y69 VanDerWaalsContact O-N 3.15Å |
| 66 | I | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.4 | -42.9 | -178.7 | -68.9 | 168 | 0 | 0 | 0 | 111.3 | L37 L41 L44 I52 I54 R62 K63 Y68 Y69 A70 T99 | L37-I66 HydrophobicContact CD1-CD1 4.43Å; L37-I66 HydrophobicContact CG-CD1 4.49Å; L41-I66 HydrophobicContact CD2-CG1 4.43Å; L44-I66 HydrophobicContact CD1-CG2 4.25Å; I52-I66 HydrophobicContact CD1-CG2 4.43Å; I52-I66 HydrophobicContact CG2-CG2 3.71Å; I54-I66 HydrophobicContact CD1-CB 4.3Å; I54-I66 HydrophobicContact CD1-CG2 3.9Å; I54-I66 HydrophobicContact CG1-CG2 4.43Å; R62-I66 WeakPolarHBondContact O-CD1 3.03Å; R62-I66 VanDerWaalsContact O-CG1 3.27Å; R62-I66 WeakPolarHBondContact O-CG1 3.3Å; R62-I66 PolarHBondContact O-N 3.36Å; R62-I66 VanDerWaalsContact O-N 3.13Å; K63-I66 PolarHBondContact O-N 3.46Å; I66-Y68 VanDerWaalsContact C-N 3.31Å; I66-Y68 PolarHBondContact O-N 2.95Å; I66-Y69 PolarHBondContact O-N 2.98Å; I66-A70 WeakPolarHBondContact O-CB 3.37Å; I66-A70 PolarHBondContact O-N 3.39Å; I66-T99 HydrophobicContact CD1-CG2 3.38Å |
| 67 | E | 91.7 | Very high | 90.8 | Very high | 67 Ų | 67 | 73.7 Ų | 73.7 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 175.7 | -74.6 | 161.3 | -155.1 | 0 | 0 | 111.4 | I54 K63 A70 M71 V77 H79 | I54-E67 HydrophobicContact CD1-CG 4.35Å; K63-E67 WeakPolarHBondContact O-CB 3.41Å; K63-E67 VanDerWaalsContact O-CG 3.29Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 2.83Å; E67-A70 PolarHBondContact O-N 3.11Å; E67-M71 WeakPolarHBondContact O-CB 3.08Å; E67-M71 PolarHBondContact O-N 2.89Å; E67-V77 HydrophobicContact CG-CG1 4.43Å; E67-H79 IonicContact OE1-CE1 3.24Å; E67-H79 PolarHBondContact OE1-CE1 3.05Å; E67-H79 VanDerWaalsContact OE1-CE1 3.24Å; E67-H79 IonicContact OE1-NE2 3.96Å |
| 68 | Y | 93.6 | Very high | 90.7 | Very high | 148 Ų | 148 | 71.5 Ų | 71.5 | 58% | 0.58 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.5 | -50.6 | 175.8 | 174.1 | -102.3 | 0 | 0 | 0 | 111.9 | T64 E65 I66 A70 M71 L72 | T64-Y68 VanDerWaalsContact O-CB 3.26Å; T64-Y68 WeakPolarHBondContact O-CB 3.47Å; T64-Y68 PolarHBondContact O-N 2.77Å; E65-Y68 PolarHBondContact O-N 2.83Å; I66-Y68 VanDerWaalsContact C-N 3.31Å; I66-Y68 PolarHBondContact O-N 2.95Å; Y68-A70 VanDerWaalsContact C-N 3.35Å; Y68-A70 PolarHBondContact O-N 3.18Å; Y68-M71 PolarHBondContact O-N 3.24Å; Y68-L72 HydrophobicContact CD1-CD1 4.19Å; Y68-L72 HydrophobicContact CE1-CD1 3.6Å; Y68-L72 HydrophobicContact CE2-CD1 4.43Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 3.02Å |
| 69 | Y | 91.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 76.3 Ų | 76.3 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 177.4 | -77.1 | -70.2 | 0 | 0 | 0 | 112.5 | L41 R45 E65 I66 M71 L72 S73 | L41-Y69 HydrophobicContact CD2-CD2 3.42Å; L41-Y69 VanDerWaalsContact CD2-CD2 3.42Å; L41-Y69 HydrophobicContact CD2-CE2 3.79Å; L41-Y69 HydrophobicContact CD2-CG 4.19Å; R45-Y69 PolarHBondContact NH2-OH 3.42Å; E65-Y69 HydrophobicContact CG-CD2 4.04Å; E65-Y69 HydrophobicContact CG-CE2 3.8Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å; E65-Y69 PolarHBondContact O-N 3.49Å; E65-Y69 VanDerWaalsContact O-N 3.15Å; I66-Y69 PolarHBondContact O-N 2.98Å; Y69-M71 VanDerWaalsContact C-N 3.32Å; Y69-M71 PolarHBondContact O-N 2.92Å; Y69-L72 PolarHBondContact O-N 2.97Å; Y69-S73 PolarHBondContact O-N 3.23Å; Y69-S73 PolarHBondContact O-OG 3.31Å |
| 70 | A | 91.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L44 I52 I66 E67 Y68 S73 K74 T75 V77 | L44-A70 HydrophobicContact CD2-CB 4.09Å; I52-A70 HydrophobicContact CD1-CB 3.87Å; I66-A70 WeakPolarHBondContact O-CB 3.37Å; I66-A70 PolarHBondContact O-N 3.39Å; E67-A70 PolarHBondContact O-N 3.11Å; Y68-A70 VanDerWaalsContact C-N 3.35Å; Y68-A70 PolarHBondContact O-N 3.18Å; A70-S73 WeakPolarHBondContact CA-OG 3.45Å; A70-S73 CarbonylContact O-C 3.37Å; A70-S73 PolarHBondContact O-N 3.22Å; A70-S73 PolarHBondContact O-OG 2.87Å; A70-K74 PolarHBondContact O-N 3.2Å; A70-T75 WeakPolarHBondContact CA-OG1 3.29Å; A70-T75 WeakPolarHBondContact CB-OG1 3.41Å; A70-T75 PolarHBondContact O-N 2.93Å; A70-T75 PolarHBondContact O-OG1 3.01Å; A70-V77 HydrophobicContact CB-CG2 3.34Å |
| 71 | M | 90 | Very high | 90.4 | Very high | 155 Ų | 155 | 75 Ų | 75 | 76% | 0.764 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 173.7 | -174 | 62.2 | 179.2 | 0 | 0 | 111.3 | E67 Y68 Y69 S73 K74 | E67-M71 WeakPolarHBondContact O-CB 3.08Å; E67-M71 PolarHBondContact O-N 2.89Å; Y68-M71 PolarHBondContact O-N 3.24Å; Y69-M71 VanDerWaalsContact C-N 3.32Å; Y69-M71 PolarHBondContact O-N 2.92Å; M71-S73 PolarHBondContact O-N 3.01Å; M71-K74 PolarHBondContact O-N 3.49Å |
| 72 | L | 89.6 | Confident | 90.3 | Very high | 112 Ų | 112 | 68.9 Ų | 68.9 | 59% | 0.586 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.4 | -39.4 | 176.1 | -68.7 | 175 | 0 | 0 | 0 | 112.5 | Y68 Y69 K74 | Y68-L72 HydrophobicContact CD1-CD1 4.19Å; Y68-L72 HydrophobicContact CE1-CD1 3.6Å; Y68-L72 HydrophobicContact CE2-CD1 4.43Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 3.02Å; Y69-L72 PolarHBondContact O-N 2.97Å; L72-K74 VanDerWaalsContact C-N 3.32Å |
| 73 | S | 87.9 | Confident | 90.4 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.1 | 178.2 | 55 | 0 | 0 | 0 | 0 | 114.3 | L44 Y69 A70 M71 T75 | L44-S73 WeakPolarHBondContact CD2-OG 3.19Å; Y69-S73 PolarHBondContact O-N 3.23Å; Y69-S73 PolarHBondContact O-OG 3.31Å; A70-S73 WeakPolarHBondContact CA-OG 3.45Å; A70-S73 CarbonylContact O-C 3.37Å; A70-S73 PolarHBondContact O-N 3.22Å; A70-S73 PolarHBondContact O-OG 2.87Å; M71-S73 PolarHBondContact O-N 3.01Å; S73-T75 PolarHBondContact O-N 3.31Å; S73-T75 VanDerWaalsContact OG-CG2 3.24Å; S73-T75 WeakPolarHBondContact OG-CG2 3.47Å; S73-T75 PolarHBondContact OG-OG1 3.24Å; S73-T75 VanDerWaalsContact OG-OG1 3.09Å |
| 74 | K | 87 | Confident | 90.5 | Very high | 182 Ų | 182 | 65 Ų | 65 | 79% | 0.791 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36.6 | -174.3 | -56 | -179.5 | 179.7 | -178 | 0 | 113.4 | A70 M71 L72 | A70-K74 PolarHBondContact O-N 3.2Å; M71-K74 PolarHBondContact O-N 3.49Å; L72-K74 VanDerWaalsContact C-N 3.32Å |
| 75 | T | 88.7 | Confident | 90.5 | Very high | 18 Ų | 18 | 70.2 Ų | 70.2 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | trans | -96.7 | 139 | -178.4 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | A49 A70 S73 | A49-T75 HydrophobicContact CB-CG2 4.42Å; A49-T75 WeakPolarHBondContact O-CG2 3.34Å; A70-T75 WeakPolarHBondContact CA-OG1 3.29Å; A70-T75 WeakPolarHBondContact CB-OG1 3.41Å; A70-T75 PolarHBondContact O-N 2.93Å; A70-T75 PolarHBondContact O-OG1 3.01Å; S73-T75 PolarHBondContact O-N 3.31Å; S73-T75 VanDerWaalsContact OG-CG2 3.24Å; S73-T75 WeakPolarHBondContact OG-CG2 3.47Å; S73-T75 PolarHBondContact OG-OG1 3.24Å; S73-T75 VanDerWaalsContact OG-OG1 3.09Å | ||
| 76 | G | 88.2 | Confident | 90.5 | Very high | 33 Ų | 33 | 70.2 Ų | 70.2 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 139.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R50 L51 I52 | R50-G76 PolarHBondContact O-N 3.46Å; L51-G76 WeakPolarHBondContact CA-O 3.39Å; I52-G76 PolarHBondContact N-O 3.4Å |
| 77 | V | 91 | Very high | 90.5 | Very high | 42 Ų | 42 | 70.3 Ų | 70.3 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.1 | 173 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | I52 I54 E67 A70 | I52-V77 CarbonylContact O-C 3.56Å; I52-V77 WeakPolarHBondContact O-CA 3.33Å; I54-V77 HydrophobicContact CD1-CG1 3.62Å; I54-V77 HydrophobicContact CG1-CG1 4.17Å; E67-V77 HydrophobicContact CG-CG1 4.43Å; A70-V77 HydrophobicContact CB-CG2 3.34Å |
| 78 | H | 89.2 | Confident | 90.5 | Very high | 39 Ų | 39 | 67.1 Ų | 67.1 | 18% | 0.181 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.4 | 177.6 | -172.1 | 76.9 | 0 | 0 | 0 | 110.6 | I20 L51 I52 I53 I54 Y80 | I20-H78 VanDerWaalsContact CD1-NE2 3.26Å; I20-H78 WeakPolarHBondContact CD1-NE2 3.48Å; L51-H78 HydrophobicContact CD1-CB 4.22Å; I52-H78 PolarHBondContact O-N 3.08Å; I53-H78 WeakPolarHBondContact CA-O 3.32Å; I53-H78 HydrophobicContact CG1-CB 4.28Å; I54-H78 PolarHBondContact N-O 3.24Å; H78-Y80 PolarHBondContact O-N 3.37Å |
| 79 | H | 89.8 | Confident | 90.5 | Very high | 107 Ų | 107 | 64.7 Ų | 64.7 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 107.4 | 176.4 | -65.2 | -77.7 | 0 | 0 | 0 | 109.8 | E67 | E67-H79 IonicContact OE1-CE1 3.24Å; E67-H79 PolarHBondContact OE1-CE1 3.05Å; E67-H79 VanDerWaalsContact OE1-CE1 3.24Å; E67-H79 IonicContact OE1-NE2 3.96Å |
| 80 | Y | 90 | Very high | 90.4 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.3 | 175.4 | -176 | -103.9 | 0 | 0 | 0 | 110.2 | L17 I20 N21 I54 N56 H78 G82 D86 L87 | L17-Y80 HydrophobicContact CD1-CE2 4.23Å; L17-Y80 HydrophobicContact CG-CE2 4.35Å; I20-Y80 HydrophobicContact CG2-CD2 4.27Å; I20-Y80 HydrophobicContact CG2-CE2 4.39Å; N21-Y80 PolarHBondContact ND2-OH 3.31Å; N21-Y80 VanDerWaalsContact OD1-CE2 3.24Å; N21-Y80 WeakPolarHBondContact OD1-CE2 3.48Å; N21-Y80 PolarHBondContact OD1-OH 2.85Å; I54-Y80 WeakPolarHBondContact O-CB 3.45Å; I54-Y80 PolarHBondContact O-N 3.02Å; N56-Y80 WeakPolarHBondContact CB-O 3.2Å; N56-Y80 PolarHBondContact N-O 2.9Å; N56-Y80 VanDerWaalsContact N-O 3.1Å; H78-Y80 PolarHBondContact O-N 3.37Å; Y80-G82 VanDerWaalsContact C-N 3.32Å; Y80-G82 WeakPolarHBondContact CD1-O 3.42Å; Y80-G82 VanDerWaalsContact CE1-N 3.32Å; Y80-G82 PolarHBondContact O-N 3.45Å; Y80-D86 HydrophobicContact CE1-CB 4.12Å; Y80-L87 HydrophobicContact CD1-CD1 4.09Å; Y80-L87 HydrophobicContact CD1-CD2 3.2Å; Y80-L87 HydrophobicContact CD1-CG 3.31Å; Y80-L87 HydrophobicContact CD2-CD2 3.63Å; Y80-L87 HydrophobicContact CE1-CD2 3.47Å; Y80-L87 VanDerWaalsContact CE1-CD2 3.47Å; Y80-L87 HydrophobicContact CE1-CG 3.64Å; Y80-L87 HydrophobicContact CE2-CD2 3.92Å; Y80-L87 HydrophobicContact CG-CD1 4.37Å; Y80-L87 HydrophobicContact CG-CD2 3.26Å; Y80-L87 HydrophobicContact CG-CG 3.84Å |
| 81 | N | 87.4 | Confident | 90.3 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -73.3 | -21.5 | -174.5 | -168.3 | 25.6 | 0 | 0 | 0 | 113.5 | L17 N56 | L17-N81 HydrophobicContact CD1-CB 3.78Å; N56-N81 WeakPolarHBondContact CB-O 3.27Å; N56-N81 PolarHBondContact ND2-O 3.32Å; N56-N81 VanDerWaalsContact ND2-O 3.09Å |
| 82 | G | 88.8 | Confident | 90.3 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -85.3 | 177.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N56 Y80 | N56-G82 VanDerWaalsContact CB-O 3.3Å; N56-G82 WeakPolarHBondContact CB-O 3.32Å; N56-G82 PolarHBondContact N-O 3.2Å; Y80-G82 VanDerWaalsContact C-N 3.32Å; Y80-G82 WeakPolarHBondContact CD1-O 3.42Å; Y80-G82 VanDerWaalsContact CE1-N 3.32Å; Y80-G82 PolarHBondContact O-N 3.45Å |
| 83 | T | 92.8 | Very high | 90.4 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | trans | -81.3 | 168.5 | -179.3 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | N57 R85 D86 L87 | N57-T83 WeakPolarHBondContact OD1-CA 3.33Å; T83-R85 PolarHBondContact O-N 3.13Å; T83-R85 VanDerWaalsContact O-N 3.09Å; T83-R85 PolarHBondContact OG1-N 3.44Å; T83-D86 WeakPolarHBondContact CB-OD2 3.34Å; T83-D86 PolarHBondContact N-OD2 3.49Å; T83-D86 PolarHBondContact O-N 2.95Å; T83-D86 VanDerWaalsContact OG1-CG 3.26Å; T83-D86 PolarHBondContact OG1-N 3.41Å; T83-D86 PolarHBondContact OG1-OD2 2.96Å; T83-L87 PolarHBondContact O-N 3.33Å | ||
| 84 | N | 93.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 66.8 Ų | 66.8 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.5 | -27.9 | 172.7 | -57.3 | -19.3 | 0 | 0 | 0 | 113.1 | A55 N57 G88 R96 V97 S98 | A55-N84 WeakPolarHBondContact CB-OD1 3.35Å; N57-N84 PolarHBondContact OD1-N 3.25Å; N57-N84 PolarHBondContact OD1-OD1 3.32Å; N84-G88 PolarHBondContact O-N 2.84Å; N84-R96 HydrophobicContact CB-CB 4.21Å; N84-V97 WeakPolarHBondContact CA-O 3.26Å; N84-V97 WeakPolarHBondContact CB-O 2.83Å; N84-V97 PolarHBondContact O-N 3.02Å; N84-S98 WeakPolarHBondContact OD1-CA 3.32Å |
| 85 | R | 93.3 | Very high | 90.8 | Very high | 191 Ų | 191 | 63.4 Ų | 63.4 | 72% | 0.721 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -72.5 | -47 | 176.7 | -169.4 | -178.1 | -166 | -175.7 | 3.7 | 109.8 | T83 L87 G88 T89 | T83-R85 PolarHBondContact O-N 3.13Å; T83-R85 VanDerWaalsContact O-N 3.09Å; T83-R85 PolarHBondContact OG1-N 3.44Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.44Å; R85-G88 PolarHBondContact O-N 3.14Å; R85-G88 VanDerWaalsContact O-N 3.14Å; R85-T89 PolarHBondContact O-N 2.78Å; R85-T89 PolarHBondContact O-OG1 3.42Å; R85-T89 VanDerWaalsContact O-OG1 3.04Å |
| 86 | D | 92.2 | Very high | 91 | Very high | 70 Ų | 70 | 72.4 Ų | 72.4 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | -179.7 | -51.6 | -42.5 | 0 | 0 | 0 | 111.3 | Y80 T83 T89 A90 | Y80-D86 HydrophobicContact CE1-CB 4.12Å; T83-D86 WeakPolarHBondContact CB-OD2 3.34Å; T83-D86 PolarHBondContact N-OD2 3.49Å; T83-D86 PolarHBondContact O-N 2.95Å; T83-D86 VanDerWaalsContact OG1-CG 3.26Å; T83-D86 PolarHBondContact OG1-N 3.41Å; T83-D86 PolarHBondContact OG1-OD2 2.96Å; D86-T89 PolarHBondContact O-N 2.95Å; D86-A90 WeakPolarHBondContact O-CB 3.19Å; D86-A90 PolarHBondContact O-N 3.36Å |
| 87 | L | 91.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 171.9 | -83.1 | -171.1 | 0 | 0 | 0 | 112.8 | L24 I53 A55 Y80 T83 R85 T89 A90 C91 V97 | L24-L87 HydrophobicContact CD1-CD2 4.21Å; I53-L87 HydrophobicContact CG2-CD1 4.22Å; I53-L87 HydrophobicContact CG2-CD2 4.02Å; A55-L87 HydrophobicContact CB-CD1 3.6Å; A55-L87 HydrophobicContact CB-CG 4.42Å; Y80-L87 HydrophobicContact CD1-CD1 4.09Å; Y80-L87 HydrophobicContact CD1-CD2 3.2Å; Y80-L87 HydrophobicContact CD1-CG 3.31Å; Y80-L87 HydrophobicContact CD2-CD2 3.63Å; Y80-L87 HydrophobicContact CE1-CD2 3.47Å; Y80-L87 VanDerWaalsContact CE1-CD2 3.47Å; Y80-L87 HydrophobicContact CE1-CG 3.64Å; Y80-L87 HydrophobicContact CE2-CD2 3.92Å; Y80-L87 HydrophobicContact CG-CD1 4.37Å; Y80-L87 HydrophobicContact CG-CD2 3.26Å; Y80-L87 HydrophobicContact CG-CG 3.84Å; T83-L87 PolarHBondContact O-N 3.33Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.44Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.28Å; L87-A90 PolarHBondContact O-N 3.34Å; L87-C91 PolarHBondContact O-N 2.86Å; L87-C91 PolarHBondContact O-SG 2.72Å; L87-V97 HydrophobicContact CB-CB 4.47Å |
| 88 | G | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N84 R85 C91 G92 K93 | N84-G88 PolarHBondContact O-N 2.84Å; R85-G88 PolarHBondContact O-N 3.14Å; R85-G88 VanDerWaalsContact O-N 3.14Å; G88-C91 CarbonylContact O-C 3.59Å; G88-C91 PolarHBondContact O-N 3.22Å; G88-G92 PolarHBondContact O-N 2.92Å; G88-K93 CarbonylContact C-O 3.44Å; G88-K93 PolarHBondContact O-N 3.04Å |
| 89 | T | 92.3 | Very high | 91.5 | Very high | 97 Ų | 97 | 68.4 Ų | 68.4 | 60% | 0.595 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | 176.4 | -52 | 0 | 0 | 0 | 0 | 112.1 | R85 D86 L87 C91 G92 | R85-T89 PolarHBondContact O-N 2.78Å; R85-T89 PolarHBondContact O-OG1 3.42Å; R85-T89 VanDerWaalsContact O-OG1 3.04Å; D86-T89 PolarHBondContact O-N 2.95Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.28Å; T89-C91 PolarHBondContact O-N 3.23Å; T89-G92 PolarHBondContact O-N 2.95Å |
| 90 | A | 90.2 | Very high | 91.6 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 12% | 0.116 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -32.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | N21 L24 D86 L87 G92 | N21-A90 HydrophobicContact CB-CB 4.17Å; N21-A90 WeakPolarHBondContact OD1-CB 3.47Å; L24-A90 HydrophobicContact CD1-CB 4.27Å; D86-A90 WeakPolarHBondContact O-CB 3.19Å; D86-A90 PolarHBondContact O-N 3.36Å; L87-A90 PolarHBondContact O-N 3.34Å; A90-G92 VanDerWaalsContact C-N 3.28Å; A90-G92 PolarHBondContact O-N 3.44Å |
| 91 | C | 90.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.1 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | M28 L87 G88 T89 K93 L100 | M28-C91 HydrophobicContact CE-CB 3.98Å; M28-C91 HydrophobicContact CG-CB 4.07Å; M28-C91 WeakPolarHBondContact CG-O 3.48Å; M28-C91 HydrophobicContact SD-CB 4.22Å; L87-C91 PolarHBondContact O-N 2.86Å; L87-C91 PolarHBondContact O-SG 2.72Å; G88-C91 CarbonylContact O-C 3.59Å; G88-C91 PolarHBondContact O-N 3.22Å; T89-C91 PolarHBondContact O-N 3.23Å; C91-K93 VanDerWaalsContact C-N 3.34Å; C91-K93 HydrophobicContact CB-CG 4.17Å; C91-L100 VanDerWaalsContact SG-CD1 3.57Å |
| 92 | G | 90.4 | Very high | 92 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 26.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G88 T89 A90 | G88-G92 PolarHBondContact O-N 2.92Å; T89-G92 PolarHBondContact O-N 2.95Å; A90-G92 VanDerWaalsContact C-N 3.28Å; A90-G92 PolarHBondContact O-N 3.44Å |
| 93 | K | 90.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 35% | 0.352 | 28% | 0.284 | S | S | . | . | trans | -106.9 | 139.7 | 178.8 | -58 | -57 | -178.3 | -172.2 | 0 | 111 | I35 G88 C91 F95 | I35-K93 HydrophobicContact CD1-CG 4.13Å; G88-K93 CarbonylContact C-O 3.44Å; G88-K93 PolarHBondContact O-N 3.04Å; C91-K93 VanDerWaalsContact C-N 3.34Å; C91-K93 HydrophobicContact CB-CG 4.17Å; K93-F95 HydrophobicContact CB-CD1 3.95Å; K93-F95 HydrophobicContact CB-CE1 3.72Å; K93-F95 HydrophobicContact CB-CE2 4.5Å; K93-F95 HydrophobicContact CB-CG 4.44Å; K93-F95 HydrophobicContact CB-CZ 4.01Å; K93-F95 HydrophobicContact CD-CE1 3.94Å; K93-F95 HydrophobicContact CD-CZ 4.22Å; K93-F95 HydrophobicContact CG-CE1 3.92Å; K93-F95 HydrophobicContact CG-CZ 3.93Å; K93-F95 PolarHBondContact O-N 3.43Å | ||
| 94 | Y | 90.7 | Very high | 92 | Very high | 246 Ų | 246 | 59.5 Ų | 59.5 | 97% | 0.965 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -82 | 7.3 | 177 | -59.3 | -73.9 | 0 | 0 | 0 | 114.1 | ||
| 95 | F | 92.9 | Very high | 91.7 | Very high | 112 Ų | 112 | 59.3 Ų | 59.3 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -122.2 | 155.3 | 178.2 | 61.9 | -93.8 | 0 | 0 | 0 | 111 | I35 K93 V97 | I35-F95 HydrophobicContact CD1-CZ 4.38Å; I35-F95 HydrophobicContact CG2-CE2 3.94Å; I35-F95 HydrophobicContact CG2-CZ 4.38Å; K93-F95 HydrophobicContact CB-CD1 3.95Å; K93-F95 HydrophobicContact CB-CE1 3.72Å; K93-F95 HydrophobicContact CB-CE2 4.5Å; K93-F95 HydrophobicContact CB-CG 4.44Å; K93-F95 HydrophobicContact CB-CZ 4.01Å; K93-F95 HydrophobicContact CD-CE1 3.94Å; K93-F95 HydrophobicContact CD-CZ 4.22Å; K93-F95 HydrophobicContact CG-CE1 3.92Å; K93-F95 HydrophobicContact CG-CZ 3.93Å; K93-F95 PolarHBondContact O-N 3.43Å; F95-V97 HydrophobicContact CD2-CG2 4.02Å; F95-V97 HydrophobicContact CE2-CG2 3.71Å |
| 96 | R | 92.7 | Very high | 91.4 | Very high | 207 Ų | 207 | 52.1 Ų | 52.1 | 78% | 0.781 | 27% | 0.268 | S | S | * | . | trans | -67.2 | 133.4 | 179.4 | 64.6 | -177.6 | -178.3 | 179 | -2 | 111.3 | N84 | N84-R96 HydrophobicContact CB-CB 4.21Š| ||
| 97 | V | 92.6 | Very high | 91 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | trans | -119.5 | 114.4 | 177 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | I35 N84 L87 F95 T99 L100 | I35-V97 HydrophobicContact CG2-CB 4.19Å; I35-V97 HydrophobicContact CG2-CG1 3.62Å; I35-V97 HydrophobicContact CG2-CG2 3.55Å; N84-V97 WeakPolarHBondContact CA-O 3.26Å; N84-V97 WeakPolarHBondContact CB-O 2.83Å; N84-V97 PolarHBondContact O-N 3.02Å; L87-V97 HydrophobicContact CB-CB 4.47Å; F95-V97 HydrophobicContact CD2-CG2 4.02Å; F95-V97 HydrophobicContact CE2-CG2 3.71Å; V97-T99 WeakPolarHBondContact CG1-O 3.18Å; V97-L100 HydrophobicContact CG1-CB 4.35Å | ||
| 98 | S | 92.3 | Very high | 90.6 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -83.1 | -36.2 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | A55 N84 | A55-S98 WeakPolarHBondContact CB-O 3.5Å; A55-S98 PolarHBondContact N-O 3.45Å; N84-S98 WeakPolarHBondContact OD1-CA 3.32Å |
| 99 | T | 93.1 | Very high | 90 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 140.7 | -170.6 | 55 | 0 | 0 | 0 | 0 | 108.9 | G36 L37 I53 I66 V97 | G36-T99 PolarHBondContact N-O 3.18Å; L37-T99 PolarHBondContact N-OG1 3.36Å; I53-T99 WeakPolarHBondContact O-CA 3.34Å; I66-T99 HydrophobicContact CD1-CG2 3.38Å; V97-T99 WeakPolarHBondContact CG1-O 3.18Å |
| 100 | L | 92.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 139.3 | -179.7 | -171.7 | 141.6 | 0 | 0 | 0 | 109.6 | M28 C33 I35 I52 I53 C91 V97 I102 | M28-L100 HydrophobicContact CE-CD1 3.38Å; M28-L100 HydrophobicContact CE-CG 4.47Å; C33-L100 HydrophobicContact CB-CD2 4.33Å; I35-L100 HydrophobicContact CG1-CD1 3.95Å; I52-L100 CarbonylContact C-O 3.52Å; I52-L100 WeakPolarHBondContact CA-O 3.5Å; I53-L100 PolarHBondContact N-O 2.87Å; I53-L100 PolarHBondContact O-N 2.97Å; C91-L100 VanDerWaalsContact SG-CD1 3.57Å; V97-L100 HydrophobicContact CG1-CB 4.35Å; L100-I102 HydrophobicContact CD2-CD1 4.27Å; L100-I102 HydrophobicContact CD2-CG1 3.59Å |
| 101 | A | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | C33 S34 T40 L43 A49 I52 | C33-A101 WeakPolarHBondContact CA-O 3.47Å; S34-A101 PolarHBondContact N-O 3.37Å; S34-A101 PolarHBondContact O-N 3.31Å; T40-A101 HydrophobicContact CG2-CB 3.55Å; L43-A101 HydrophobicContact CD1-CB 3.77Å; A49-A101 HydrophobicContact CB-CB 4.26Å; I52-A101 HydrophobicContact CG1-CB 4.3Å |
| 102 | I | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.4 | 175.4 | -62.8 | 160.7 | 0 | 0 | 0 | 106.8 | L24 V27 R50 L51 I53 L100 P105 I110 | L24-I102 HydrophobicContact CD2-CD1 4.49Å; V27-I102 HydrophobicContact CG1-CG1 4.38Å; V27-I102 HydrophobicContact CG1-CG2 3.95Å; R50-I102 PolarHBondContact N-O 2.87Å; L51-I102 HydrophobicContact CB-CB 4.35Å; L51-I102 HydrophobicContact CB-CD1 4.24Å; L51-I102 HydrophobicContact CD2-CD1 3.92Å; L51-I102 HydrophobicContact CG-CD1 4.33Å; L51-I102 PolarHBondContact N-O 3.09Å; L51-I102 PolarHBondContact O-N 3.46Å; I53-I102 HydrophobicContact CD1-CD1 3.87Å; L100-I102 HydrophobicContact CD2-CD1 4.27Å; L100-I102 HydrophobicContact CD2-CG1 3.59Å; I102-P105 HydrophobicContact CG2-CB 4.44Å; I102-I110 HydrophobicContact CD1-CD1 3.86Å; I102-I110 HydrophobicContact CD1-CG2 3.87Å |
| 103 | E | 91.7 | Very high | 85.9 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -55 | 173.4 | -65.7 | 172.6 | -139 | 0 | 0 | 109 | K32 S34 L43 R50 | K32-E103 HydrophobicContact CB-CB 4.23Å; K32-E103 PolarHBondContact O-N 3.28Å; S34-E103 PolarHBondContact OG-OE1 3.12Å; L43-E103 HydrophobicContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD1-OE1 3.4Å; L43-E103 HydrophobicContact CD2-CG 3.96Å; L43-E103 VanDerWaalsContact CD2-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD2-OE1 3.39Å; L43-E103 HydrophobicContact CG-CG 4.32Å; R50-E103 VanDerWaalsContact CD-O 3.24Å; R50-E103 WeakPolarHBondContact CD-O 3.41Å; R50-E103 WeakPolarHBondContact CG-O 3.24Å |
| 104 | D | 89.8 | Confident | 84.1 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.3 | 178.3 | -69.9 | -50.2 | 0 | 0 | 0 | 109.4 | G31 K32 G106 | G31-D104 VanDerWaalsContact CA-O 3.3Å; G31-D104 WeakPolarHBondContact CA-O 3.3Å; K32-D104 HydrophobicContact CB-CB 4.03Å; K32-D104 WeakPolarHBondContact CD-OD2 3.42Å; K32-D104 HydrophobicContact CG-CB 4.34Å; K32-D104 PolarHBondContact N-O 2.96Å; K32-D104 IonicContact NZ-OD2 3.5Å; K32-D104 PolarHBondContact NZ-OD2 3.48Å; K32-D104 PolarHBondContact O-N 3.46Å; K32-D104 VanDerWaalsContact O-N 3.12Å; D104-G106 PolarHBondContact O-N 3.23Å |
| 105 | P | 86.9 | Confident | 82.1 | Confident | 18 Ų | 18 | 59 Ų | 59 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | trans | -70.3 | -15.3 | 179.4 | 32.1 | -38.5 | 0 | 0 | 0 | 113.1 | I102 D107 S108 I110 I111 | I102-P105 HydrophobicContact CG2-CB 4.44Å; P105-D107 PolarHBondContact O-N 3.05Å; P105-S108 WeakPolarHBondContact O-CB 3.3Å; P105-S108 PolarHBondContact O-N 3.43Å; P105-S108 VanDerWaalsContact O-N 3.1Å; P105-S108 PolarHBondContact O-OG 3.12Å; P105-I110 HydrophobicContact CB-CG2 4.37Å; P105-I111 HydrophobicContact CB-CD1 3.78Å; P105-I111 HydrophobicContact CB-CG1 4.07Å; P105-I111 HydrophobicContact CG-CD1 3.57Å; P105-I111 HydrophobicContact CG-CG1 4.33Å | ||
| 106 | G | 88 | Confident | 79.8 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -127.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D104 S108 | D104-G106 PolarHBondContact O-N 3.23Å; G106-S108 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 3.2Å |
| 107 | D | 84.2 | Confident | 77.2 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 73% | 0.727 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.4 | 178.8 | -55.5 | -46.9 | 0 | 0 | 0 | 113.6 | S30 P105 | S30-D107 WeakPolarHBondContact CB-OD2 3.48Å; S30-D107 PolarHBondContact OG-N 3.41Å; P105-D107 PolarHBondContact O-N 3.05Å |
| 108 | S | 82.9 | Confident | 74.3 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | trans | -84.6 | 134.6 | -177.4 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | V27 P105 G106 I110 | V27-S108 WeakPolarHBondContact CG2-OG 3.39Å; P105-S108 WeakPolarHBondContact O-CB 3.3Å; P105-S108 PolarHBondContact O-N 3.43Å; P105-S108 VanDerWaalsContact O-N 3.1Å; P105-S108 PolarHBondContact O-OG 3.12Å; G106-S108 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 3.2Å; S108-I110 PolarHBondContact O-N 3.39Å; S108-I110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | D | 80.7 | Confident | 71.3 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 18.1 | 174.7 | -72.4 | -48.6 | 0 | 0 | 0 | 113.5 | I111 R112 S113 | D109-I111 PolarHBondContact O-N 3.03Å; D109-I111 VanDerWaalsContact O-N 3.14Å; D109-R112 WeakPolarHBondContact O-CB 3.41Å; D109-R112 PolarHBondContact O-N 3.41Å; D109-R112 IonicContact OD1-NE 3.59Å; D109-S113 PolarHBondContact O-N 3.09Å |
| 110 | I | 80 | Confident | 68.3 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.8 | -32.1 | -171.3 | -161 | 165.6 | 0 | 0 | 0 | 113 | C23 L24 V27 L51 I53 I102 P105 S108 R112 S113 A114 | C23-I110 HydrophobicContact CB-CB 4.07Å; C23-I110 HydrophobicContact CB-CD1 4.13Å; C23-I110 HydrophobicContact CB-CG1 4.18Å; L24-I110 HydrophobicContact CD2-CD1 3.67Å; L24-I110 HydrophobicContact CG-CD1 4.01Å; V27-I110 HydrophobicContact CG2-CD1 4.47Å; V27-I110 HydrophobicContact CG2-CG2 4.12Å; L51-I110 HydrophobicContact CD2-CB 4.42Å; L51-I110 HydrophobicContact CD2-CD1 4.27Å; L51-I110 HydrophobicContact CD2-CG1 3.79Å; L51-I110 HydrophobicContact CD2-CG2 4.08Å; I53-I110 HydrophobicContact CD1-CD1 3.84Å; I102-I110 HydrophobicContact CD1-CD1 3.86Å; I102-I110 HydrophobicContact CD1-CG2 3.87Å; P105-I110 HydrophobicContact CB-CG2 4.37Å; S108-I110 PolarHBondContact O-N 3.39Å; S108-I110 VanDerWaalsContact O-N 3.15Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3.09Å; I110-S113 PolarHBondContact O-N 2.81Å; I110-S113 PolarHBondContact O-OG 2.68Å; I110-A114 PolarHBondContact O-N 2.82Å |
| 111 | I | 75.5 | Confident | 65.1 | Low | 66 Ų | 66 | 83.3 Ų | 83.3 | 34% | 0.338 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.5 | -29.7 | 179 | -58.8 | -175.9 | 0 | 0 | 0 | 111.4 | R50 P105 D109 S113 | R50-I111 HydrophobicContact CB-CD1 3.82Å; R50-I111 HydrophobicContact CG-CD1 4.46Å; P105-I111 HydrophobicContact CB-CD1 3.78Å; P105-I111 HydrophobicContact CB-CG1 4.07Å; P105-I111 HydrophobicContact CG-CD1 3.57Å; P105-I111 HydrophobicContact CG-CG1 4.33Å; D109-I111 PolarHBondContact O-N 3.03Å; D109-I111 VanDerWaalsContact O-N 3.14Å; I111-S113 VanDerWaalsContact C-N 3.33Å |
| 112 | R | 67.8 | Low | 63.7 | Low | 215 Ų | 215 | 87.5 Ų | 87.5 | 81% | 0.811 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.7 | -27.8 | 178.1 | -61.1 | -177.7 | 179.6 | -150.7 | -0.2 | 112.3 | D109 I110 | D109-R112 WeakPolarHBondContact O-CB 3.41Å; D109-R112 PolarHBondContact O-N 3.41Å; D109-R112 IonicContact OD1-NE 3.59Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3.09Å |
| 113 | S | 53.7 | Low | 62.2 | Low | 71 Ų | 71 | 92.1 Ų | 92.1 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -86 | -13.1 | -177.5 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | D109 I110 I111 | D109-S113 PolarHBondContact O-N 3.09Å; I110-S113 PolarHBondContact O-N 2.81Å; I110-S113 PolarHBondContact O-OG 2.68Å; I111-S113 VanDerWaalsContact C-N 3.33Å |
| 114 | A | 53.4 | Low | 60.6 | Low | 16 Ų | 16 | 94.3 Ų | 94.3 | 13% | 0.132 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -76.9 | 129.3 | 173 | 0 | 0 | 0 | 0 | 0 | 108.8 | L51 I110 H116 | L51-A114 HydrophobicContact CD1-CB 3.75Å; I110-A114 PolarHBondContact O-N 2.82Å; A114-H116 PolarHBondContact O-N 3.1Å |
| 115 | P | 47.9 | Very low | 58.8 | Low | 105 Ų | 105 | 96.5 Ų | 96.5 | 68% | 0.682 | 53% | 0.532 | S | S | * | . | trans | -60.5 | 108.9 | 172.8 | 25.4 | -30.8 | 0 | 0 | 0 | 107.6 | E117 | P115-E117 VanDerWaalsContact C-N 3.27Å; P115-E117 PolarHBondContact O-N 3.33Å | ||
| 116 | H | 44 | Very low | 57.1 | Low | 148 Ų | 148 | 101.4 Ų | 101.4 | 69% | 0.685 | 56% | 0.558 | S | S | * | * | trans | -67.9 | 94.5 | 163.6 | -175 | 17.6 | 0 | 0 | 0 | 105.9 | A114 A118 | A114-H116 PolarHBondContact O-N 3.1Å; H116-A118 PolarHBondContact O-N 3.46Å | ||
| 117 | E | 39.3 | Very low | 55 | Low | 187 Ų | 187 | 105.4 Ų | 105.4 | 87% | 0.874 | 57% | 0.567 | S | S | * | * | trans | -65 | 98.9 | 152.3 | -70.9 | -160.8 | 155.5 | 0 | 0 | 105.7 | P115 G119 | P115-E117 VanDerWaalsContact C-N 3.27Å; P115-E117 PolarHBondContact O-N 3.33Å; E117-G119 PolarHBondContact O-N 3.37Å; E117-G119 VanDerWaalsContact O-N 3.08Å | ||
| 118 | A | 31.3 | Very low | 52.9 | Low | 75 Ų | 75 | 103.2 Ų | 103.2 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | trans | -60.5 | 103.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | H116 T120 | H116-A118 PolarHBondContact O-N 3.46Å; A118-T120 VanDerWaalsContact C-N 3.31Å | ||
| 119 | G | 29 | Very low | 50.6 | Low | 63 Ų | 63 | 110.5 Ų | 110.5 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | trans | -96.2 | 54.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E117 | E117-G119 PolarHBondContact O-N 3.37Å; E117-G119 VanDerWaalsContact O-N 3.08Å | ||
| 120 | T | 29.3 | Very low | 48.1 | Very low | 112 Ų | 112 | 111.5 Ų | 111.5 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | trans | -115.1 | 125.4 | 164.5 | -48.4 | 0 | 0 | 0 | 0 | 106 | A118 | A118-T120 VanDerWaalsContact C-N 3.31Š| ||
| 121 | K | 26.3 | Very low | 45.2 | Very low | 276 Ų | 276 | 121.3 Ų | 121.3 | 100% | 1.2 | 65% | 0.652 | S | S | * | * | trans | -48.9 | 0 | 166 | -71.2 | -179.9 | 174.1 | -177.3 | 0 | 111.4 |
Retrieved 121 of 121 residues in 36.1 ms
(Link to these results)