| 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 | 54.9 | Low | 78.6 | Confident | 219 Ų | 219 | 138.5 Ų | 138.5 | 100% | 1.079 | 71% | 0.706 | S | S | * | * | 0 | 128.4 | 0 | -83.7 | 160.5 | 67.1 | 0 | 0 | 109.5 | K3 | M1-K3 PolarHBondContact O-N 3.28Š| |||
| 2 | P | 64.7 | Low | 79.2 | Confident | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 128.4 | 169.8 | -17.3 | 29.2 | 0 | 0 | 0 | 108.8 | K4 | P2-K4 PolarHBondContact O-N 3.2Š|
| 3 | K | 71.2 | Confident | 79.8 | Confident | 202 Ų | 202 | 128.4 Ų | 128.4 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 127.8 | 179.6 | -69.1 | -177.3 | 178.7 | 179.6 | 0 | 108.9 | M1 K5 | M1-K3 PolarHBondContact O-N 3.28Å; K3-K5 PolarHBondContact O-N 3.26Å; K3-K5 VanDerWaalsContact O-N 3.17Å |
| 4 | K | 76.3 | Confident | 80.2 | Confident | 199 Ų | 199 | 125.5 Ų | 125.5 | 87% | 0.865 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 124.1 | 176.6 | -76.9 | -178.4 | 178.1 | 177.1 | 0 | 108.5 | P2 T6 | P2-K4 PolarHBondContact O-N 3.2Å; K4-T6 PolarHBondContact O-N 3.5Å |
| 5 | K | 78.7 | Confident | 80.4 | Confident | 106 Ų | 106 | 127.1 Ų | 127.1 | 46% | 0.461 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 136.2 | 177.3 | -67.1 | 177.5 | -179.6 | 174.7 | 0 | 108.6 | K3 R9 E13 | K3-K5 PolarHBondContact O-N 3.26Å; K3-K5 VanDerWaalsContact O-N 3.17Å; K5-R9 HydrophobicContact CB-CB 4.49Å; K5-E13 WeakPolarHBondContact CD-OE2 3.48Å; K5-E13 WeakPolarHBondContact CE-OE2 3.33Å; K5-E13 IonicContact NZ-OE1 3.78Å; K5-E13 PolarHBondContact NZ-OE1 3.32Å; K5-E13 IonicContact NZ-OE2 3.91Å; K5-E13 PolarHBondContact NZ-OE2 3.06Å |
| 6 | T | 83.9 | Confident | 80.7 | Confident | 92 Ų | 92 | 131.6 Ų | 131.6 | 56% | 0.564 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 154.3 | 174 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | K4 A8 R9 K10 | K4-T6 PolarHBondContact O-N 3.5Å; T6-A8 PolarHBondContact O-N 2.94Å; T6-R9 PolarHBondContact O-N 2.81Å; T6-R9 WeakPolarHBondContact OG1-CB 3.43Å; T6-R9 PolarHBondContact OG1-N 2.93Å; T6-K10 PolarHBondContact O-N 2.82Å |
| 7 | G | 87.9 | Confident | 81 | Confident | 63 Ų | 63 | 130.5 Ų | 130.5 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -56 | -37.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K10 K11 | G7-K10 PolarHBondContact O-N 3.1Å; G7-K11 WeakPolarHBondContact O-CB 3.27Å; G7-K11 PolarHBondContact O-N 3.06Å |
| 8 | A | 85.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 133.1 Ų | 133.1 | 62% | 0.62 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.9 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | T6 K10 K11 A12 | T6-A8 PolarHBondContact O-N 2.94Å; A8-K10 PolarHBondContact O-N 3.35Å; A8-K11 PolarHBondContact O-N 2.77Å; A8-A12 PolarHBondContact O-N 2.84Å |
| 9 | R | 84.9 | Confident | 81 | Confident | 163 Ų | 163 | 130.3 Ų | 130.3 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.5 | -40 | 178 | -172.2 | 173.5 | 177.9 | 178.9 | 0.7 | 111.8 | K5 T6 A12 E13 | K5-R9 HydrophobicContact CB-CB 4.49Å; T6-R9 PolarHBondContact O-N 2.81Å; T6-R9 WeakPolarHBondContact OG1-CB 3.43Å; T6-R9 PolarHBondContact OG1-N 2.93Å; R9-A12 PolarHBondContact O-N 2.89Å; R9-E13 WeakPolarHBondContact O-CB 3.34Å; R9-E13 PolarHBondContact O-N 3.07Å |
| 10 | K | 88.2 | Confident | 81 | Confident | 129 Ų | 129 | 131.7 Ų | 131.7 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.9 | -41.4 | 174.2 | -170.2 | 176.9 | -178.9 | -179.3 | 0 | 111.8 | T6 G7 A8 N14 | T6-K10 PolarHBondContact O-N 2.82Å; G7-K10 PolarHBondContact O-N 3.1Å; A8-K10 PolarHBondContact O-N 3.35Å; K10-N14 WeakPolarHBondContact O-CB 3.44Å; K10-N14 VanDerWaalsContact O-CG 3.24Å; K10-N14 PolarHBondContact O-N 3.25Å; K10-N14 PolarHBondContact O-OD1 3.37Å |
| 11 | K | 87.4 | Confident | 81 | Confident | 145 Ų | 145 | 131.2 Ų | 131.2 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67 | -40.3 | 177.4 | -169.4 | 175.9 | -177.7 | 179 | 0 | 112.4 | G7 A8 R15 | G7-K11 WeakPolarHBondContact O-CB 3.27Å; G7-K11 PolarHBondContact O-N 3.06Å; A8-K11 PolarHBondContact O-N 2.77Å; K11-R15 WeakPolarHBondContact O-CB 3.37Å; K11-R15 PolarHBondContact O-N 3.5Å |
| 12 | A | 86.1 | Confident | 82.2 | Confident | 60 Ų | 60 | 122.1 Ų | 122.1 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.9 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A8 R9 R15 R16 | A8-A12 PolarHBondContact O-N 2.84Å; R9-A12 PolarHBondContact O-N 2.89Å; A12-R15 PolarHBondContact O-N 3.38Å; A12-R16 PolarHBondContact O-N 3.33Å |
| 13 | E | 87.2 | Confident | 82.7 | Confident | 86 Ų | 86 | 123.6 Ų | 123.6 | 40% | 0.402 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -47 | 177 | -171.4 | 173.2 | -174.4 | 0 | 0 | 111.8 | K5 R9 R15 R16 E17 | K5-E13 WeakPolarHBondContact CD-OE2 3.48Å; K5-E13 WeakPolarHBondContact CE-OE2 3.33Å; K5-E13 IonicContact NZ-OE1 3.78Å; K5-E13 PolarHBondContact NZ-OE1 3.32Å; K5-E13 IonicContact NZ-OE2 3.91Å; K5-E13 PolarHBondContact NZ-OE2 3.06Å; R9-E13 WeakPolarHBondContact O-CB 3.34Å; R9-E13 PolarHBondContact O-N 3.07Å; E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.05Å; E13-R16 PolarHBondContact O-N 3.25Å; E13-E17 PolarHBondContact O-N 2.92Å |
| 14 | N | 85.9 | Confident | 82.8 | Confident | 88 Ų | 88 | 117.3 Ų | 117.3 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.9 | -37.2 | 175.3 | -72 | 5.7 | 0 | 0 | 0 | 112.5 | K10 R18 | K10-N14 WeakPolarHBondContact O-CB 3.44Å; K10-N14 VanDerWaalsContact O-CG 3.24Å; K10-N14 PolarHBondContact O-N 3.25Å; K10-N14 PolarHBondContact O-OD1 3.37Å; N14-R18 WeakPolarHBondContact O-CB 3.31Å; N14-R18 PolarHBondContact O-N 2.7Å |
| 15 | R | 83.1 | Confident | 82.8 | Confident | 150 Ų | 150 | 110.4 Ų | 110.4 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.3 | -47.7 | 175.6 | -174.1 | -167.8 | -63.8 | -103.3 | 4.9 | 110.7 | K11 A12 E13 E17 R18 E19 | K11-R15 WeakPolarHBondContact O-CB 3.37Å; K11-R15 PolarHBondContact O-N 3.5Å; A12-R15 PolarHBondContact O-N 3.38Å; E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.05Å; R15-E17 VanDerWaalsContact C-N 3.29Å; R15-E17 PolarHBondContact O-N 3.34Å; R15-R18 PolarHBondContact O-N 2.91Å; R15-E19 WeakPolarHBondContact CD-OE1 3.42Å; R15-E19 WeakPolarHBondContact CG-OE1 3.18Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 2.84Å |
| 16 | R | 85.1 | Confident | 82.6 | Confident | 198 Ų | 198 | 107.8 Ų | 107.8 | 75% | 0.747 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 178.6 | -171.8 | 177.7 | -177.5 | 179.9 | 1.6 | 112 | A12 E13 E19 K20 | A12-R16 PolarHBondContact O-N 3.33Å; E13-R16 PolarHBondContact O-N 3.25Å; R16-E19 PolarHBondContact O-N 3.24Å; R16-K20 WeakPolarHBondContact O-CB 3.16Å; R16-K20 PolarHBondContact O-N 3.02Å |
| 17 | E | 84.9 | Confident | 81.9 | Confident | 114 Ų | 114 | 107.1 Ų | 107.1 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.4 | -172.7 | 171.1 | -161 | 0 | 0 | 111.8 | E13 R15 E19 K20 Q21 | E13-E17 PolarHBondContact O-N 2.92Å; R15-E17 VanDerWaalsContact C-N 3.29Å; R15-E17 PolarHBondContact O-N 3.34Å; E17-E19 PolarHBondContact O-N 2.91Å; E17-K20 WeakPolarHBondContact O-CB 3.49Å; E17-K20 PolarHBondContact O-N 3.4Å; E17-Q21 WeakPolarHBondContact O-CG 3.35Å; E17-Q21 PolarHBondContact O-N 2.95Å |
| 18 | R | 82.6 | Confident | 81.5 | Confident | 177 Ų | 177 | 110.9 Ų | 110.9 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.5 | -44.3 | 174 | 179.8 | -177.5 | -86.4 | -149.3 | -4.2 | 111.8 | N14 R15 K20 Q21 I22 | N14-R18 WeakPolarHBondContact O-CB 3.31Å; N14-R18 PolarHBondContact O-N 2.7Å; R15-R18 PolarHBondContact O-N 2.91Å; R18-K20 VanDerWaalsContact C-N 3.3Å; R18-K20 PolarHBondContact O-N 3.38Å; R18-Q21 PolarHBondContact O-N 3.18Å; R18-I22 HydrophobicContact CG-CD1 3.86Å; R18-I22 HydrophobicContact CG-CG1 4.42Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.44Å; R18-I22 PolarHBondContact O-N 2.92Å |
| 19 | E | 80.1 | Confident | 81.4 | Confident | 80 Ų | 80 | 109.8 Ų | 109.8 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 176 | -75.2 | 169.3 | -164.8 | 0 | 0 | 111.8 | R15 R16 E17 I22 R23 | R15-E19 WeakPolarHBondContact CD-OE1 3.42Å; R15-E19 WeakPolarHBondContact CG-OE1 3.18Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 2.84Å; R16-E19 PolarHBondContact O-N 3.24Å; E17-E19 PolarHBondContact O-N 2.91Å; E19-I22 PolarHBondContact O-N 3.11Å; E19-R23 WeakPolarHBondContact O-CG 3.37Å; E19-R23 PolarHBondContact O-N 3.41Å |
| 20 | K | 81 | Confident | 81.5 | Confident | 158 Ų | 158 | 105.6 Ų | 105.6 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 175.2 | -171 | -179.9 | 179.8 | -176.4 | 0 | 111.7 | R16 E17 R18 R23 A24 | R16-K20 WeakPolarHBondContact O-CB 3.16Å; R16-K20 PolarHBondContact O-N 3.02Å; E17-K20 WeakPolarHBondContact O-CB 3.49Å; E17-K20 PolarHBondContact O-N 3.4Å; R18-K20 VanDerWaalsContact C-N 3.3Å; R18-K20 PolarHBondContact O-N 3.38Å; K20-R23 PolarHBondContact O-N 2.75Å; K20-A24 WeakPolarHBondContact O-CB 3.31Å; K20-A24 PolarHBondContact O-N 2.96Å |
| 21 | Q | 80.2 | Confident | 81.6 | Confident | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 175 | -70.4 | 173.2 | 5.4 | 0 | 0 | 111.6 | E17 R18 A24 S25 | E17-Q21 WeakPolarHBondContact O-CG 3.35Å; E17-Q21 PolarHBondContact O-N 2.95Å; R18-Q21 PolarHBondContact O-N 3.18Å; Q21-A24 PolarHBondContact O-N 3.41Å; Q21-S25 WeakPolarHBondContact O-CB 3.38Å; Q21-S25 PolarHBondContact O-N 2.93Å; Q21-S25 PolarHBondContact O-OG 2.84Å |
| 22 | I | 80.5 | Confident | 81.6 | Confident | 29 Ų | 29 | 95 Ų | 95 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 176.4 | -70.8 | 165.6 | 0 | 0 | 0 | 110.2 | R18 E19 A24 S25 R26 I121 | R18-I22 HydrophobicContact CG-CD1 3.86Å; R18-I22 HydrophobicContact CG-CG1 4.42Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.44Å; R18-I22 PolarHBondContact O-N 2.92Å; E19-I22 PolarHBondContact O-N 3.11Å; I22-A24 VanDerWaalsContact C-N 3.34Å; I22-A24 PolarHBondContact O-N 2.65Å; I22-S25 WeakPolarHBondContact CA-OG 3.28Å; I22-S25 PolarHBondContact O-N 3.24Å; I22-S25 VanDerWaalsContact O-N 3.12Å; I22-S25 PolarHBondContact O-OG 2.86Å; I22-R26 PolarHBondContact O-N 3.3Å; I22-I121 HydrophobicContact CD1-CG2 3.96Å; I22-I121 HydrophobicContact CG1-CG2 4.12Å; I22-I121 HydrophobicContact CG2-CB 4.44Å; I22-I121 HydrophobicContact CG2-CG2 3.99Å |
| 23 | R | 76 | Confident | 81.8 | Confident | 161 Ų | 161 | 100.1 Ų | 100.1 | 61% | 0.608 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 176.7 | -72.6 | -175.4 | -150.1 | 157.8 | 6.1 | 112.6 | E19 K20 S25 R26 | E19-R23 WeakPolarHBondContact O-CG 3.37Å; E19-R23 PolarHBondContact O-N 3.41Å; K20-R23 PolarHBondContact O-N 2.75Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 3.22Å; R23-R26 WeakPolarHBondContact O-CB 3.48Å; R23-R26 PolarHBondContact O-N 2.9Å |
| 24 | A | 73.8 | Confident | 82.1 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.4 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K20 Q21 I22 R26 | K20-A24 WeakPolarHBondContact O-CB 3.31Å; K20-A24 PolarHBondContact O-N 2.96Å; Q21-A24 PolarHBondContact O-N 3.41Å; I22-A24 VanDerWaalsContact C-N 3.34Å; I22-A24 PolarHBondContact O-N 2.65Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.78Å |
| 25 | S | 75.2 | Confident | 82.6 | Confident | 53 Ų | 53 | 94.5 Ų | 94.5 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.6 | -20.2 | 178.8 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | Q21 I22 R23 A27 N28 | Q21-S25 WeakPolarHBondContact O-CB 3.38Å; Q21-S25 PolarHBondContact O-N 2.93Å; Q21-S25 PolarHBondContact O-OG 2.84Å; I22-S25 WeakPolarHBondContact CA-OG 3.28Å; I22-S25 PolarHBondContact O-N 3.24Å; I22-S25 VanDerWaalsContact O-N 3.12Å; I22-S25 PolarHBondContact O-OG 2.86Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 3.22Å; S25-A27 VanDerWaalsContact C-N 3.26Å; S25-A27 PolarHBondContact O-N 2.92Å; S25-N28 WeakPolarHBondContact O-CB 3.48Å; S25-N28 PolarHBondContact O-N 2.68Å |
| 26 | R | 74.5 | Confident | 83.1 | Confident | 52 Ų | 52 | 87.3 Ų | 87.3 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.5 | -36.2 | -178.9 | -81.3 | -178.6 | 170.2 | 161 | -3.4 | 112.7 | I22 R23 A24 N28 I29 C122 A125 D126 | I22-R26 PolarHBondContact O-N 3.3Å; R23-R26 WeakPolarHBondContact O-CB 3.48Å; R23-R26 PolarHBondContact O-N 2.9Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.78Å; R26-N28 PolarHBondContact O-N 3.15Å; R26-I29 HydrophobicContact CG-CD1 4.41Å; R26-I29 WeakPolarHBondContact O-CB 3.45Å; R26-I29 PolarHBondContact O-N 2.97Å; R26-I29 VanDerWaalsContact O-N 3.13Å; R26-C122 PolarHBondContact NE-O 2.72Å; R26-C122 PolarHBondContact NH2-O 3.39Å; R26-C122 VanDerWaalsContact NH2-O 3.14Å; R26-A125 VanDerWaalsContact NH2-CB 3.26Å; R26-D126 IonicContact CZ-OD2 2.76Å; R26-D126 IonicContact NH1-OD2 2.68Å; R26-D126 PolarHBondContact NH1-OD2 2.79Å |
| 27 | A | 70 | Confident | 83.6 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S25 | S25-A27 VanDerWaalsContact C-N 3.26Å; S25-A27 PolarHBondContact O-N 2.92Å |
| 28 | N | 77.9 | Confident | 84.1 | Confident | 143 Ų | 143 | 73.8 Ų | 73.8 | 77% | 0.765 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 0.5 | -179.9 | -60.9 | -18.1 | 0 | 0 | 0 | 112.8 | S25 R26 | S25-N28 WeakPolarHBondContact O-CB 3.48Å; S25-N28 PolarHBondContact O-N 2.68Å; R26-N28 PolarHBondContact O-N 3.15Å |
| 29 | I | 84.7 | Confident | 84.6 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -83.6 | 119.2 | 178.5 | -58.6 | 177 | 0 | 0 | 0 | 108.1 | R26 L31 H34 P123 | R26-I29 HydrophobicContact CG-CD1 4.41Å; R26-I29 WeakPolarHBondContact O-CB 3.45Å; R26-I29 PolarHBondContact O-N 2.97Å; R26-I29 VanDerWaalsContact O-N 3.13Å; I29-L31 PolarHBondContact O-N 3Å; I29-H34 HydrophobicContact CG2-CB 4.41Å; I29-P123 HydrophobicContact CD1-CG 4.1Å; I29-P123 HydrophobicContact CG2-CB 4.37Å; I29-P123 HydrophobicContact CG2-CG 4.01Å |
| 30 | D | 87.6 | Confident | 85.1 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | trans | -67.6 | 95.4 | 168.6 | -176.6 | -14.5 | 0 | 0 | 0 | 109.3 | A32 K33 H34 | D30-A32 VanDerWaalsContact C-N 3.27Å; D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 PolarHBondContact OD1-N 3.21Å; D30-K33 PolarHBondContact O-N 3.46Å; D30-K33 PolarHBondContact OD1-N 2.83Å; D30-K33 VanDerWaalsContact OD2-CD 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.36Å; D30-K33 WeakPolarHBondContact OD2-CE 3.17Å; D30-K33 WeakPolarHBondContact OD2-CG 3.28Å; D30-K33 IonicContact OD2-NZ 3.22Å; D30-K33 PolarHBondContact OD2-NZ 3.08Å; D30-H34 PolarHBondContact O-N 2.83Å; D30-H34 VanDerWaalsContact O-N 3.13Å | ||
| 31 | L | 90.3 | Very high | 85.8 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.1 | -175.2 | -171.1 | 61.6 | 0 | 0 | 0 | 112.3 | I29 K33 H34 N37 P123 L124 I143 F152 | I29-L31 PolarHBondContact O-N 3Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 PolarHBondContact O-N 3.36Å; L31-H34 PolarHBondContact O-N 2.97Å; L31-N37 HydrophobicContact CD1-CB 4.43Å; L31-N37 WeakPolarHBondContact O-CB 3.09Å; L31-N37 PolarHBondContact O-ND2 3.22Å; L31-P123 HydrophobicContact CD1-CB 3.61Å; L31-L124 HydrophobicContact CD1-CD2 3.68Å; L31-L124 HydrophobicContact CD1-CG 4.32Å; L31-L124 HydrophobicContact CD2-CD2 4.07Å; L31-L124 HydrophobicContact CG-CD2 4.35Å; L31-I143 HydrophobicContact CD2-CB 4.19Å; L31-I143 HydrophobicContact CD2-CG2 3.85Å; L31-I143 VanDerWaalsContact CD2-O 3.3Å; L31-I143 WeakPolarHBondContact CD2-O 3.46Å; L31-I143 WeakPolarHBondContact CG-O 3.43Å; L31-F152 HydrophobicContact CD2-CD1 3.89Å; L31-F152 HydrophobicContact CD2-CE1 3.79Å |
| 32 | A | 87.8 | Confident | 86.4 | Confident | 41 Ų | 41 | 56 Ų | 56 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -32.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D30 F144 | D30-A32 VanDerWaalsContact C-N 3.27Å; D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 PolarHBondContact OD1-N 3.21Å; A32-F144 HydrophobicContact CB-CD1 4.2Å; A32-F144 HydrophobicContact CB-CE1 4.03Å |
| 33 | K | 89.9 | Confident | 86.9 | Confident | 167 Ų | 167 | 58 Ų | 58 | 73% | 0.726 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -10.5 | 178.4 | -61.5 | -169.4 | -171.8 | 105.5 | 0 | 113.9 | D30 L31 | D30-K33 PolarHBondContact O-N 3.46Å; D30-K33 PolarHBondContact OD1-N 2.83Å; D30-K33 VanDerWaalsContact OD2-CD 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.36Å; D30-K33 WeakPolarHBondContact OD2-CE 3.17Å; D30-K33 WeakPolarHBondContact OD2-CG 3.28Å; D30-K33 IonicContact OD2-NZ 3.22Å; D30-K33 PolarHBondContact OD2-NZ 3.08Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 PolarHBondContact O-N 3.36Å |
| 34 | H | 93.8 | Very high | 87.8 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -68.1 | 134.9 | -175 | -165.2 | -85.3 | 0 | 0 | 0 | 111.3 | I29 D30 L31 C36 N37 A38 A68 | I29-H34 HydrophobicContact CG2-CB 4.41Å; D30-H34 PolarHBondContact O-N 2.83Å; D30-H34 VanDerWaalsContact O-N 3.13Å; L31-H34 PolarHBondContact O-N 2.97Å; H34-C36 VanDerWaalsContact C-N 3.25Å; H34-C36 PolarHBondContact ND1-N 3.18Å; H34-C36 PolarHBondContact ND1-SG 2.98Å; H34-C36 PolarHBondContact O-N 3.42Å; H34-C36 VanDerWaalsContact O-N 3.09Å; H34-N37 CarbonylContact O-C 3.52Å; H34-N37 PolarHBondContact O-N 3.32Å; H34-A38 PolarHBondContact O-N 3.14Å; H34-A68 PolarHBondContact CE1-O 3.26Å; H34-A68 VanDerWaalsContact CE1-O 3.24Å |
| 35 | P | 95.3 | Very high | 88.8 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -59.7 | -28.4 | -172.5 | -26.2 | 33.4 | 0 | 0 | 0 | 115.8 | N37 A38 N51 C67 | P35-N37 PolarHBondContact O-N 3.39Å; P35-A38 PolarHBondContact O-N 3.08Å; P35-N51 PolarHBondContact O-ND2 2.92Å; P35-C67 WeakPolarHBondContact CB-O 3.32Å |
| 36 | C | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -68.8 | -13.9 | 175.2 | 74.7 | 0 | 0 | 0 | 0 | 114.1 | H34 A68 C104 | H34-C36 VanDerWaalsContact C-N 3.25Å; H34-C36 PolarHBondContact ND1-N 3.18Å; H34-C36 PolarHBondContact ND1-SG 2.98Å; H34-C36 PolarHBondContact O-N 3.42Å; H34-C36 VanDerWaalsContact O-N 3.09Å; C36-A68 HydrophobicContact CB-CB 3.78Å; C36-A68 PolarHBondContact N-O 3.06Å; C36-A68 VanDerWaalsContact N-O 3.17Å; C36-C104 HydrophobicContact CB-CB 4.01Å |
| 37 | N | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -120.5 | 10.4 | -178.7 | -167.6 | 48 | 0 | 0 | 0 | 111.7 | L31 H34 P35 R142 I143 | L31-N37 HydrophobicContact CD1-CB 4.43Å; L31-N37 WeakPolarHBondContact O-CB 3.09Å; L31-N37 PolarHBondContact O-ND2 3.22Å; H34-N37 CarbonylContact O-C 3.52Å; H34-N37 PolarHBondContact O-N 3.32Å; P35-N37 PolarHBondContact O-N 3.39Å; N37-R142 VanDerWaalsContact O-CD 3.24Å; N37-R142 WeakPolarHBondContact O-CD 3.43Å; N37-R142 WeakPolarHBondContact O-CG 3.47Å; N37-R142 WeakPolarHBondContact OD1-CA 3.25Å; N37-I143 PolarHBondContact ND2-O 2.62Å; N37-I143 PolarHBondContact OD1-N 3.35Å |
| 38 | A | 94.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | trans | -59.9 | 145.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | H34 P35 K50 N51 | H34-A38 PolarHBondContact O-N 3.14Å; P35-A38 PolarHBondContact O-N 3.08Å; A38-K50 CarbonylContact O-C 3.56Å; A38-K50 WeakPolarHBondContact O-CA 3.37Å; A38-N51 HydrophobicContact CB-CB 4.4Å; A38-N51 PolarHBondContact O-N 3.4Å | ||
| 39 | S | 93.8 | Very high | 92.5 | Very high | 51 Ų | 51 | 57.6 Ų | 57.6 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 137.7 | 172 | -174 | 0 | 0 | 0 | 0 | 109.6 | ||
| 40 | M | 91.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 159.3 | 172.5 | 75.3 | -179.9 | -55.4 | 0 | 0 | 110.1 | R48 Q49 K50 N51 R52 Q62 | M40-R48 WeakPolarHBondContact O-CA 3.29Å; M40-Q49 HydrophobicContact CG-CG 3.45Å; M40-Q49 VanDerWaalsContact CG-CG 3.45Å; M40-Q49 WeakPolarHBondContact CG-O 3.37Å; M40-Q49 PolarHBondContact N-O 3.39Å; M40-Q49 PolarHBondContact O-N 2.91Å; M40-Q49 HydrophobicContact SD-CG 3.83Å; M40-K50 WeakPolarHBondContact CG-O 3.16Å; M40-N51 WeakPolarHBondContact SD-CA 3.27Å; M40-R52 HydrophobicContact SD-CB 4.26Å; M40-R52 PolarHBondContact SD-N 3.47Å; M40-Q62 HydrophobicContact CE-CB 3.76Å; M40-Q62 HydrophobicContact CE-CG 3.23Å |
| 41 | E | 94.3 | Very high | 93.3 | Very high | 96 Ų | 96 | 51.6 Ų | 51.6 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138 | 171.5 | -173.6 | 169.9 | 178.9 | 0 | 0 | 108.8 | Q46 Q62 | E41-Q46 PolarHBondContact OE1-OE1 3.5Å; E41-Q46 VanDerWaalsContact OE1-OE1 3.04Å; E41-Q62 PolarHBondContact O-NE2 3.44Å |
| 42 | C | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -77.8 | 124.2 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 111 | K44 C45 Q46 R47 C55 S60 | C42-K44 PolarHBondContact O-N 3.19Å; C42-K44 PolarHBondContact SG-N 3.03Å; C42-K44 VanDerWaalsContact SG-N 3.42Å; C42-C45 VanDerWaalsContact CB-SG 3.59Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C42-Q46 WeakPolarHBondContact O-CA 3.45Å; C42-Q46 PolarHBondContact O-N 3.09Å; C42-R47 PolarHBondContact N-O 3.02Å; C42-C55 HydrophobicContact CB-CB 4.16Å; C42-C55 VanDerWaalsContact SG-SG 3.65Å; C42-S60 PolarHBondContact SG-OG 3.28Å | ||
| 43 | D | 91.3 | Very high | 93.8 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.6 | 179.5 | -55.8 | -26.7 | 0 | 0 | 0 | 113.6 | Q46 | D43-Q46 PolarHBondContact O-NE2 3.23Š|
| 44 | K | 93.6 | Very high | 94 | Very high | 157 Ų | 157 | 45 Ų | 45 | 68% | 0.683 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -49.9 | -176.9 | -170.5 | -178 | 180 | -173.4 | 0 | 112.9 | C42 | C42-K44 PolarHBondContact O-N 3.19Å; C42-K44 PolarHBondContact SG-N 3.03Å; C42-K44 VanDerWaalsContact SG-N 3.42Å |
| 45 | C | 95.3 | Very high | 94 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -2.3 | -174.9 | 70 | 0 | 0 | 0 | 0 | 114.2 | C42 R47 C55 C58 | C42-C45 VanDerWaalsContact CB-SG 3.59Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C45-R47 PolarHBondContact O-N 3.05Å; C45-C55 VanDerWaalsContact SG-SG 3.69Å; C45-C58 HydrophobicContact CB-CB 4.38Å |
| 46 | Q | 94.1 | Very high | 94 | Very high | 111 Ų | 111 | 46.1 Ų | 46.1 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | trans | 55.1 | 22.4 | 178.4 | -53.6 | -62.2 | -36.2 | 0 | 0 | 113.7 | E41 C42 D43 | E41-Q46 PolarHBondContact OE1-OE1 3.5Å; E41-Q46 VanDerWaalsContact OE1-OE1 3.04Å; C42-Q46 WeakPolarHBondContact O-CA 3.45Å; C42-Q46 PolarHBondContact O-N 3.09Å; D43-Q46 PolarHBondContact O-NE2 3.23Å | ||
| 47 | R | 93.4 | Very high | 94 | Very high | 117 Ų | 117 | 48.4 Ų | 48.4 | 44% | 0.442 | 23% | 0.226 | S | C | . | . | trans | -87.9 | 138 | 173.9 | -67.2 | -175.7 | -179.9 | -174.5 | 0.1 | 109.7 | C42 C45 F57 | C42-R47 PolarHBondContact N-O 3.02Å; C45-R47 PolarHBondContact O-N 3.05Å; R47-F57 HydrophobicContact CB-CD2 3.46Å; R47-F57 VanDerWaalsContact CB-CD2 3.46Å; R47-F57 HydrophobicContact CB-CE2 3.67Å; R47-F57 HydrophobicContact CB-CG 4.31Å; R47-F57 VanDerWaalsContact CD-CG 3.49Å; R47-F57 HydrophobicContact CG-CD2 4.13Å; R47-F57 HydrophobicContact CG-CE2 4.47Å | ||
| 48 | R | 93.6 | Very high | 94 | Very high | 118 Ų | 118 | 50.3 Ų | 50.3 | 45% | 0.445 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.5 | 173.2 | -67 | 178.2 | 63.9 | 177.6 | 0.6 | 110.4 | M40 | M40-R48 WeakPolarHBondContact O-CA 3.29Å |
| 49 | Q | 93.6 | Very high | 94 | Very high | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 173.2 | 178.9 | 60.7 | -176.8 | -15.1 | 0 | 0 | 108.8 | M40 C55 F57 G140 | M40-Q49 HydrophobicContact CG-CG 3.45Å; M40-Q49 VanDerWaalsContact CG-CG 3.45Å; M40-Q49 WeakPolarHBondContact CG-O 3.37Å; M40-Q49 PolarHBondContact N-O 3.39Å; M40-Q49 PolarHBondContact O-N 2.91Å; M40-Q49 HydrophobicContact SD-CG 3.83Å; Q49-C55 VanDerWaalsContact OE1-CA 3.31Å; Q49-F57 HydrophobicContact CB-CE2 4.31Å; Q49-G140 CarbonylContact C-O 3.55Å; Q49-G140 VanDerWaalsContact CA-O 3.32Å; Q49-G140 WeakPolarHBondContact CA-O 3.47Å; Q49-G140 VanDerWaalsContact CB-O 3.3Å; Q49-G140 WeakPolarHBondContact CB-O 3.26Å |
| 50 | K | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 159.3 | 167.8 | 72.7 | 167.9 | 177.2 | 64.9 | 0 | 111.6 | A38 M40 R52 C104 L124 V136 G140 G141 R142 | A38-K50 CarbonylContact O-C 3.56Å; A38-K50 WeakPolarHBondContact O-CA 3.37Å; M40-K50 WeakPolarHBondContact CG-O 3.16Å; K50-R52 HydrophobicContact CG-CG 4.2Å; K50-R52 VanDerWaalsContact NZ-CZ 3.29Å; K50-R52 VanDerWaalsContact NZ-NH2 3.14Å; K50-R52 WeakPolarHBondContact O-CG 3.31Å; K50-R52 PolarHBondContact O-N 3.05Å; K50-C104 PolarHBondContact NZ-O 2.8Å; K50-L124 HydrophobicContact CD-CD1 4.41Å; K50-V136 VanDerWaalsContact CE-CG1 3.41Å; K50-V136 VanDerWaalsContact NZ-CG1 3.31Å; K50-G140 PolarHBondContact N-O 3.4Å; K50-G141 WeakPolarHBondContact CD-O 3.4Å; K50-G141 WeakPolarHBondContact CG-O 3.27Å; K50-R142 HydrophobicContact CB-CG 3.94Å |
| 51 | N | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -49.8 | 120.4 | 175.1 | -172.7 | 15.2 | 0 | 0 | 0 | 111.1 | P35 A38 M40 I66 A106 | P35-N51 PolarHBondContact O-ND2 2.92Å; A38-N51 HydrophobicContact CB-CB 4.4Å; A38-N51 PolarHBondContact O-N 3.4Å; M40-N51 WeakPolarHBondContact SD-CA 3.27Å; N51-I66 PolarHBondContact ND2-O 3.26Å; N51-A106 WeakPolarHBondContact O-CB 3.37Å |
| 52 | R | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -150.9 | 156.6 | -177.4 | -74.2 | -178.9 | -176.6 | -102.2 | -4.9 | 110.7 | M40 K50 F54 E105 V136 H139 | M40-R52 HydrophobicContact SD-CB 4.26Å; M40-R52 PolarHBondContact SD-N 3.47Å; K50-R52 HydrophobicContact CG-CG 4.2Å; K50-R52 VanDerWaalsContact NZ-CZ 3.29Å; K50-R52 VanDerWaalsContact NZ-NH2 3.14Å; K50-R52 WeakPolarHBondContact O-CG 3.31Å; K50-R52 PolarHBondContact O-N 3.05Å; R52-F54 VanDerWaalsContact CB-O 3.25Å; R52-F54 WeakPolarHBondContact CB-O 3.46Å; R52-E105 CarbonylContact C-O 3.54Å; R52-E105 HydrophobicContact CG-CB 4.35Å; R52-E105 IonicContact CZ-OE1 2.78Å; R52-E105 IonicContact CZ-OE2 2.75Å; R52-E105 IonicContact NH1-OE1 3.04Å; R52-E105 PolarHBondContact NH1-OE1 3.34Å; R52-E105 IonicContact NH1-OE2 3.41Å; R52-E105 PolarHBondContact NH1-OE2 3.36Å; R52-V136 PolarHBondContact NH2-O 2.76Å; R52-H139 PolarHBondContact NH2-O 3.2Å | ||
| 53 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -69.8 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q62 I100 E105 W107 | A53-Q62 PolarHBondContact O-N 3.37Å; A53-I100 HydrophobicContact CB-CD1 3.95Å; A53-I100 HydrophobicContact CB-CG1 4.02Å; A53-I100 HydrophobicContact CB-CG2 4.12Å; A53-E105 VanDerWaalsContact CB-O 3.23Å; A53-E105 WeakPolarHBondContact CB-O 3.49Å; A53-E105 PolarHBondContact N-O 3.42Å; A53-W107 HydrophobicContact CB-CD2 3.65Å; A53-W107 VanDerWaalsContact CB-CE2 3.45Å; A53-W107 HydrophobicContact CB-CE3 3.89Å; A53-W107 HydrophobicContact CB-CG 4.28Å; A53-W107 HydrophobicContact CB-CH2 3.8Å; A53-W107 HydrophobicContact CB-CZ2 3.5Å; A53-W107 HydrophobicContact CB-CZ3 4.01Å |
| 54 | F | 94.6 | Very high | 93.5 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -118.5 | 142.5 | 179.6 | -51.7 | -80.2 | 0 | 0 | 0 | 109.6 | R52 Y56 I61 I100 | R52-F54 VanDerWaalsContact CB-O 3.25Å; R52-F54 WeakPolarHBondContact CB-O 3.46Å; F54-Y56 PolarHBondContact O-N 2.79Å; F54-I61 HydrophobicContact CD1-CG1 3.79Å; F54-I61 HydrophobicContact CE1-CD1 4.4Å; F54-I61 HydrophobicContact CE1-CG1 3.64Å; F54-I100 HydrophobicContact CE2-CD1 3.62Å; F54-I100 HydrophobicContact CZ-CD1 3.91Å |
| 55 | C | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -67.2 | 125.8 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | C42 C45 Q49 F57 N59 S60 | C42-C55 HydrophobicContact CB-CB 4.16Å; C42-C55 VanDerWaalsContact SG-SG 3.65Å; C45-C55 VanDerWaalsContact SG-SG 3.69Å; Q49-C55 VanDerWaalsContact OE1-CA 3.31Å; C55-F57 PolarHBondContact O-N 3.28Å; C55-F57 PolarHBondContact SG-N 2.87Å; C55-F57 VanDerWaalsContact SG-N 3.4Å; C55-N59 WeakPolarHBondContact O-CA 3.33Å; C55-N59 PolarHBondContact O-N 2.88Å; C55-N59 PolarHBondContact O-OD1 2.95Å; C55-S60 PolarHBondContact N-O 3.42Å | ||
| 56 | Y | 94.1 | Very high | 93.3 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 31% | 0.31 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -35.5 | 176.4 | 176.4 | -99.1 | 0 | 0 | 0 | 112.5 | F54 D138 | F54-Y56 PolarHBondContact O-N 2.79Å; Y56-D138 PolarHBondContact OH-O 3.36Å |
| 57 | F | 94.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 50 Ų | 50 | 21% | 0.211 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -36.6 | -175 | -60.1 | -65.7 | 0 | 0 | 0 | 114.9 | R47 Q49 C55 Y308 | R47-F57 HydrophobicContact CB-CD2 3.46Å; R47-F57 VanDerWaalsContact CB-CD2 3.46Å; R47-F57 HydrophobicContact CB-CE2 3.67Å; R47-F57 HydrophobicContact CB-CG 4.31Å; R47-F57 VanDerWaalsContact CD-CG 3.49Å; R47-F57 HydrophobicContact CG-CD2 4.13Å; R47-F57 HydrophobicContact CG-CE2 4.47Å; Q49-F57 HydrophobicContact CB-CE2 4.31Å; C55-F57 PolarHBondContact O-N 3.28Å; C55-F57 PolarHBondContact SG-N 2.87Å; C55-F57 VanDerWaalsContact SG-N 3.4Å; F57-Y308 HydrophobicContact CD1-CE2 4.37Å; F57-Y308 AromaticContact CE1-CD2 3.76Å; F57-Y308 HydrophobicContact CE1-CD2 3.76Å; F57-Y308 AromaticContact CE1-CE2 3.26Å; F57-Y308 HydrophobicContact CE1-CE2 3.26Å; F57-Y308 AromaticContact CZ-CD2 3.61Å; F57-Y308 HydrophobicContact CZ-CD2 3.61Å; F57-Y308 AromaticContact CZ-CE2 3.6Å; F57-Y308 HydrophobicContact CZ-CE2 3.6Å |
| 58 | C | 95.7 | Very high | 93.5 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 6.3 | -170.6 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | C45 S60 | C45-C58 HydrophobicContact CB-CB 4.38Å; C58-S60 PolarHBondContact O-N 2.84Å; C58-S60 PolarHBondContact SG-OG 3.12Å |
| 59 | N | 94.3 | Very high | 93.5 | Very high | 126 Ų | 126 | 40.8 Ų | 40.8 | 67% | 0.674 | 20% | 0.201 | S | C | * | . | trans | 55.2 | 13.5 | 179.9 | -62.7 | -32.7 | 0 | 0 | 0 | 115 | C55 | C55-N59 WeakPolarHBondContact O-CA 3.33Å; C55-N59 PolarHBondContact O-N 2.88Å; C55-N59 PolarHBondContact O-OD1 2.95Å | ||
| 60 | S | 94.8 | Very high | 93.5 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 138.9 | 177.1 | 68.5 | 0 | 0 | 0 | 0 | 110.7 | C42 C55 C58 Q62 | C42-S60 PolarHBondContact SG-OG 3.28Å; C55-S60 PolarHBondContact N-O 3.42Å; C58-S60 PolarHBondContact O-N 2.84Å; C58-S60 PolarHBondContact SG-OG 3.12Å; S60-Q62 PolarHBondContact O-N 3.11Å |
| 61 | I | 93.4 | Very high | 93.4 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 46% | 0.456 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -63.1 | 131.9 | 171.6 | -66.9 | 166.3 | 0 | 0 | 0 | 109.9 | F54 K63 L94 W107 | F54-I61 HydrophobicContact CD1-CG1 3.79Å; F54-I61 HydrophobicContact CE1-CD1 4.4Å; F54-I61 HydrophobicContact CE1-CG1 3.64Å; I61-K63 PolarHBondContact O-N 3.24Å; I61-L94 HydrophobicContact CG2-CD1 4.44Å; I61-L94 HydrophobicContact CG2-CD2 4.16Å; I61-W107 HydrophobicContact CG2-CZ2 4.14Å |
| 62 | Q | 89.9 | Confident | 93.3 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 119.2 | 172.7 | -171.5 | 70.3 | 8.9 | 0 | 0 | 111.1 | M40 E41 A53 S60 | M40-Q62 HydrophobicContact CE-CB 3.76Å; M40-Q62 HydrophobicContact CE-CG 3.23Å; E41-Q62 PolarHBondContact O-NE2 3.44Å; A53-Q62 PolarHBondContact O-N 3.37Å; S60-Q62 PolarHBondContact O-N 3.11Å |
| 63 | K | 87.6 | Confident | 93.2 | Very high | 149 Ų | 149 | 53.2 Ų | 53.2 | 65% | 0.648 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -79.1 | -24.8 | -178.6 | -65.9 | -178.7 | -179.5 | 176.5 | 0 | 113.6 | I61 P65 | I61-K63 PolarHBondContact O-N 3.24Å; K63-P65 VanDerWaalsContact C-CD 3.41Å; K63-P65 WeakPolarHBondContact O-CD 3.44Å |
| 64 | L | 88.8 | Confident | 93 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -104.6 | 80.1 | 176.6 | -61.7 | 178 | 0 | 0 | 0 | 110.5 | ||
| 65 | P | 91.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -74.2 | 138.8 | -176.4 | 30.6 | -35.8 | 0 | 0 | 0 | 112 | K63 G93 M96 V97 W107 | K63-P65 VanDerWaalsContact C-CD 3.41Å; K63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-G93 WeakPolarHBondContact CG-O 3.45Å; P65-M96 HydrophobicContact CG-CG 4.28Å; P65-M96 HydrophobicContact CG-SD 4.49Å; P65-V97 HydrophobicContact CB-CG2 3.87Å; P65-V97 HydrophobicContact CG-CG2 3.83Å; P65-W107 HydrophobicContact CB-CB 4.05Å; P65-W107 HydrophobicContact CB-CG 3.76Å | ||
| 66 | I | 94.4 | Very high | 92.1 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | trans | -110.7 | 124.6 | 167.9 | -62.2 | 164.2 | 0 | 0 | 0 | 107.5 | N51 A68 T73 | N51-I66 PolarHBondContact ND2-O 3.26Å; I66-A68 PolarHBondContact O-N 3.5Å; I66-T73 HydrophobicContact CB-CG2 4.43Å; I66-T73 HydrophobicContact CG1-CG2 3.61Å | ||
| 67 | C | 94.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | trans | -63.8 | 121.4 | 177.9 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | P35 Q69 C70 G71 K72 W107 C109 | P35-C67 WeakPolarHBondContact CB-O 3.32Å; C67-Q69 PolarHBondContact O-N 3.48Å; C67-Q69 VanDerWaalsContact O-N 3.07Å; C67-C70 VanDerWaalsContact CB-SG 3.6Å; C67-C70 PolarHBondContact O-N 2.98Å; C67-C70 PolarHBondContact SG-SG 3.18Å; C67-G71 VanDerWaalsContact O-CA 3.29Å; C67-G71 WeakPolarHBondContact O-CA 3.46Å; C67-G71 PolarHBondContact O-N 3.11Å; C67-K72 PolarHBondContact N-O 3.22Å; C67-W107 CarbonylContact C-O 3.48Å; C67-W107 WeakPolarHBondContact CA-O 3.4Å; C67-C109 HydrophobicContact CB-CB 3.92Å; C67-C109 PolarHBondContact SG-N 2.7Å | ||
| 68 | A | 95.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H34 C36 I66 A106 W107 V108 | H34-A68 PolarHBondContact CE1-O 3.26Å; H34-A68 VanDerWaalsContact CE1-O 3.24Å; C36-A68 HydrophobicContact CB-CB 3.78Å; C36-A68 PolarHBondContact N-O 3.06Å; C36-A68 VanDerWaalsContact N-O 3.17Å; I66-A68 PolarHBondContact O-N 3.5Å; A68-A106 HydrophobicContact CB-CB 3.58Å; A68-W107 WeakPolarHBondContact CB-O 3.32Å; A68-W107 PolarHBondContact N-O 3.24Å; A68-V108 HydrophobicContact CB-CG2 4.45Å |
| 69 | Q | 94.1 | Very high | 88 | Confident | 41 Ų | 41 | 65.5 Ų | 65.5 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -38.5 | -178.5 | -175.4 | 55.9 | 43.2 | 0 | 0 | 113.9 | C67 C114 H118 | C67-Q69 PolarHBondContact O-N 3.48Å; C67-Q69 VanDerWaalsContact O-N 3.07Å; Q69-C114 HydrophobicContact CB-CB 4.03Å; Q69-C114 HydrophobicContact CG-CB 4.15Å; Q69-H118 HydrophobicContact CB-CB 4.12Å; Q69-H118 HydrophobicContact CG-CB 4.34Å; Q69-H118 PolarHBondContact OE1-ND1 2.9Å |
| 70 | C | 93.2 | Very high | 86.7 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -2.6 | -172.2 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | C67 K72 | C67-C70 VanDerWaalsContact CB-SG 3.6Å; C67-C70 PolarHBondContact O-N 2.98Å; C67-C70 PolarHBondContact SG-SG 3.18Å; C70-K72 HydrophobicContact CB-CG 4.47Å; C70-K72 PolarHBondContact O-N 3.06Å |
| 71 | G | 93.2 | Very high | 86.1 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | trans | 67.6 | 0.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C67 | C67-G71 VanDerWaalsContact O-CA 3.29Å; C67-G71 WeakPolarHBondContact O-CA 3.46Å; C67-G71 PolarHBondContact O-N 3.11Å | ||
| 72 | K | 92 | Very high | 85.9 | Confident | 104 Ų | 104 | 63.9 Ų | 63.9 | 45% | 0.452 | 34% | 0.338 | S | S | . | . | trans | -73.9 | 139.6 | -179.2 | -62.6 | -179.5 | -176.3 | 178.1 | 0 | 110.8 | C67 C70 M96 | C67-K72 PolarHBondContact N-O 3.22Å; C70-K72 HydrophobicContact CB-CG 4.47Å; C70-K72 PolarHBondContact O-N 3.06Å; K72-M96 WeakPolarHBondContact O-CE 3.09Å | ||
| 73 | T | 92.1 | Very high | 85.8 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -102.2 | 1.2 | 171.4 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | I66 | I66-T73 HydrophobicContact CB-CG2 4.43Å; I66-T73 HydrophobicContact CG1-CG2 3.61Å |
| 74 | K | 89.8 | Confident | 85.8 | Confident | 99 Ų | 99 | 64.2 Ų | 64.2 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 133.9 | 173 | 59.2 | -171.3 | 179.3 | -172.5 | 0 | 111.3 | M76 S91 T92 M96 | K74-M76 HydrophobicContact CD-SD 3.87Å; K74-M76 HydrophobicContact CG-SD 3.93Å; K74-S91 CarbonylContact C-O 3.52Å; K74-S91 VanDerWaalsContact CA-O 3.29Å; K74-S91 WeakPolarHBondContact CA-O 3.27Å; K74-T92 HydrophobicContact CB-CG2 3.87Å; K74-M96 PolarHBondContact N-SD 2.68Å; K74-M96 VanDerWaalsContact N-SD 3.4Å |
| 75 | C | 87.7 | Confident | 85.5 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.6 | 166 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | C82 H86 S91 H110 | C75-C82 VanDerWaalsContact CB-SG 3.51Å; C75-C82 WeakPolarHBondContact SG-CB 3.06Å; C75-C82 CovalentContact SG-SG 2.14Å; C75-C82 PolarHBondContact SG-SG 3.47Å; C75-H86 PolarHBondContact O-CE1 3.49Å; C75-H86 VanDerWaalsContact O-CE1 3.32Å; C75-H86 PolarHBondContact SG-CE1 3.33Å; C75-H86 PolarHBondContact SG-NE2 3.25Å; C75-S91 PolarHBondContact N-O 3.06Å; C75-S91 PolarHBondContact O-N 3.35Å; C75-H110 WeakPolarHBondContact CB-NE2 3.17Å; C75-H110 PolarHBondContact SG-NE2 3.22Å |
| 76 | M | 82 | Confident | 85.1 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | trans | -90.5 | 133.6 | 174.5 | -51.5 | -74.6 | -79 | 0 | 0 | 109 | K74 K78 S79 Y90 | K74-M76 HydrophobicContact CD-SD 3.87Å; K74-M76 HydrophobicContact CG-SD 3.93Å; M76-K78 PolarHBondContact O-N 3.29Å; M76-S79 PolarHBondContact O-N 2.76Å; M76-S79 PolarHBondContact O-OG 3.41Å; M76-Y90 HydrophobicContact CB-CD1 4.19Å; M76-Y90 HydrophobicContact CB-CE1 4.11Å; M76-Y90 HydrophobicContact CE-CD1 3.83Å; M76-Y90 HydrophobicContact CE-CE1 3.09Å; M76-Y90 HydrophobicContact CE-CE2 3.98Å; M76-Y90 VanDerWaalsContact CE-OH 3.22Å; M76-Y90 WeakPolarHBondContact CE-OH 3.29Å; M76-Y90 HydrophobicContact CG-CD1 4.26Å; M76-Y90 HydrophobicContact CG-CE1 4.25Å; M76-Y90 HydrophobicContact SD-CD1 3.2Å; M76-Y90 WeakPolarHBondContact SD-CD1 3.39Å; M76-Y90 HydrophobicContact SD-CD2 4.23Å; M76-Y90 HydrophobicContact SD-CE1 3.18Å; M76-Y90 WeakPolarHBondContact SD-CE1 3.19Å; M76-Y90 HydrophobicContact SD-CE2 4.21Å; M76-Y90 HydrophobicContact SD-CG 3.74Å | ||
| 77 | M | 68.8 | Low | 84.2 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 50% | 0.498 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.5 | 179.4 | -170.6 | 177.3 | 75.5 | 0 | 0 | 113.8 | S79 H86 A87 G88 | M77-S79 CarbonylContact O-C 3.36Å; M77-S79 PolarHBondContact O-N 2.75Å; M77-H86 VanDerWaalsContact SD-O 3.39Å; M77-A87 VanDerWaalsContact SD-CA 3.56Å; M77-A87 HydrophobicContact SD-CB 4.49Å; M77-G88 PolarHBondContact SD-N 3.16Å |
| 78 | K | 66.1 | Low | 83.3 | Confident | 201 Ų | 201 | 74.8 Ų | 74.8 | 87% | 0.874 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.3 | 177.6 | -71.3 | -172 | 179.7 | -177.4 | 0 | 113.3 | M76 | M76-K78 PolarHBondContact O-N 3.29Š|
| 79 | S | 63.3 | Low | 82.7 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 34% | 0.336 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -90.6 | 94.8 | 165.1 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | M76 M77 D81 | M76-S79 PolarHBondContact O-N 2.76Å; M76-S79 PolarHBondContact O-OG 3.41Å; M77-S79 CarbonylContact O-C 3.36Å; M77-S79 PolarHBondContact O-N 2.75Å; S79-D81 PolarHBondContact O-N 3.33Å |
| 80 | S | 67.3 | Low | 82.4 | Confident | 120 Ų | 120 | 83.5 Ų | 83.5 | 84% | 0.839 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 4.1 | 177.6 | 54.3 | 0 | 0 | 0 | 0 | 115 | ||
| 81 | D | 83.1 | Confident | 82.1 | Confident | 67 Ų | 67 | 81.9 Ų | 81.9 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 15.8 | -177.6 | -166 | 37.4 | 0 | 0 | 0 | 113.4 | S79 R112 K113 | S79-D81 PolarHBondContact O-N 3.33Å; D81-R112 VanDerWaalsContact CG-CB 3.47Å; D81-R112 WeakPolarHBondContact O-CB 3.4Å; D81-R112 PolarHBondContact O-N 2.92Å; D81-R112 WeakPolarHBondContact OD1-CB 3.26Å; D81-R112 WeakPolarHBondContact OD1-CD 3.21Å; D81-R112 IonicContact OD1-NE 3.76Å; D81-R112 PolarHBondContact OD1-NE 3.14Å; D81-R112 VanDerWaalsContact OD1-NE 3.12Å; D81-R112 WeakPolarHBondContact OD2-CB 3.3Å; D81-K113 PolarHBondContact OD2-N 2.9Å; D81-K113 VanDerWaalsContact OD2-N 3.12Å |
| 82 | C | 88.1 | Confident | 82 | Confident | 14 Ų | 14 | 84.2 Ų | 84.2 | 10% | 0.095 | 46% | 0.464 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 131.8 | 172.4 | -77.7 | 0 | 0 | 0 | 0 | 109.2 | C75 I84 H110 | C75-C82 VanDerWaalsContact CB-SG 3.51Å; C75-C82 WeakPolarHBondContact SG-CB 3.06Å; C75-C82 CovalentContact SG-SG 2.14Å; C75-C82 PolarHBondContact SG-SG 3.47Å; C82-I84 VanDerWaalsContact C-N 3.35Å; C82-H110 PolarHBondContact SG-CD2 2.83Å; C82-H110 PolarHBondContact SG-NE2 3.43Å |
| 83 | V | 89.2 | Confident | 81.9 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -67.8 | -37.6 | -178.3 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | H110 R112 L115 | V83-H110 WeakPolarHBondContact CB-O 3.41Å; V83-H110 WeakPolarHBondContact CG2-O 3.37Å; V83-H110 PolarHBondContact N-O 2.95Å; V83-R112 HydrophobicContact CG2-CB 4.09Å; V83-R112 HydrophobicContact CG2-CG 3.95Å; V83-L115 HydrophobicContact CG2-CD1 3.92Å |
| 84 | I | 85.9 | Confident | 81.8 | Confident | 93 Ų | 93 | 81 Ų | 81 | 48% | 0.477 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -93.8 | 120.5 | 169.5 | -55.6 | 173 | 0 | 0 | 0 | 107.2 | C82 H86 H110 | C82-I84 VanDerWaalsContact C-N 3.35Å; I84-H86 PolarHBondContact O-CD2 3.28Å; I84-H110 HydrophobicContact CD1-CB 4.36Å; I84-H110 HydrophobicContact CG1-CB 4.41Å |
| 85 | K | 84.1 | Confident | 81.8 | Confident | 205 Ų | 205 | 79.2 Ų | 79.2 | 89% | 0.891 | 46% | 0.457 | S | S | * | . | trans | -76.6 | 129.7 | 177.8 | -64.8 | -178 | -179.8 | 178.8 | 0 | 109.7 | ||||
| 86 | H | 81.5 | Confident | 82 | Confident | 29 Ų | 29 | 79.1 Ų | 79.1 | 13% | 0.134 | 46% | 0.456 | C | S | . | . | trans | -126.8 | 105.1 | 169.2 | 40.9 | 87.6 | 0 | 0 | 0 | 107.8 | C75 M77 I84 V89 H110 | C75-H86 PolarHBondContact O-CE1 3.49Å; C75-H86 VanDerWaalsContact O-CE1 3.32Å; C75-H86 PolarHBondContact SG-CE1 3.33Å; C75-H86 PolarHBondContact SG-NE2 3.25Å; M77-H86 VanDerWaalsContact SD-O 3.39Å; I84-H86 PolarHBondContact O-CD2 3.28Å; H86-V89 PolarHBondContact ND1-O 3.08Å; H86-H110 AromaticContact CD2-CE1 3.38Å; H86-H110 PolarHBondContact CD2-CE1 3.46Å; H86-H110 AromaticContact CD2-NE2 3.59Å; H86-H110 AromaticContact NE2-CE1 3.38Å; H86-H110 PolarHBondContact NE2-CE1 3.07Å; H86-H110 AromaticContact NE2-NE2 3.07Å; H86-H110 PolarHBondContact NE2-NE2 3.4Å | ||
| 87 | A | 76.4 | Confident | 82.5 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 73% | 0.727 | 45% | 0.451 | S | S | * | . | trans | -85.7 | 125.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | M77 V89 | M77-A87 VanDerWaalsContact SD-CA 3.56Å; M77-A87 HydrophobicContact SD-CB 4.49Å; A87-V89 PolarHBondContact O-N 2.97Å; A87-V89 VanDerWaalsContact O-N 3.13Å | ||
| 88 | G | 75.6 | Confident | 83.7 | Confident | 69 Ų | 69 | 74.9 Ų | 74.9 | 71% | 0.711 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 72.3 | 0.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | M77 | M77-G88 PolarHBondContact SD-N 3.16Š|
| 89 | V | 83.1 | Confident | 85 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 61% | 0.606 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -133.6 | 144.1 | -177.2 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | H86 A87 S91 | H86-V89 PolarHBondContact ND1-O 3.08Å; A87-V89 PolarHBondContact O-N 2.97Å; A87-V89 VanDerWaalsContact O-N 3.13Å; V89-S91 PolarHBondContact O-N 3.14Å |
| 90 | Y | 86.9 | Confident | 86.6 | Confident | 125 Ų | 125 | 68 Ų | 68 | 49% | 0.49 | 42% | 0.421 | S | S | . | . | trans | -75.9 | 121.3 | 169.8 | -58.9 | -46 | 0 | 0 | 0 | 109.9 | M76 T92 | M76-Y90 HydrophobicContact CB-CD1 4.19Å; M76-Y90 HydrophobicContact CB-CE1 4.11Å; M76-Y90 HydrophobicContact CE-CD1 3.83Å; M76-Y90 HydrophobicContact CE-CE1 3.09Å; M76-Y90 HydrophobicContact CE-CE2 3.98Å; M76-Y90 VanDerWaalsContact CE-OH 3.22Å; M76-Y90 WeakPolarHBondContact CE-OH 3.29Å; M76-Y90 HydrophobicContact CG-CD1 4.26Å; M76-Y90 HydrophobicContact CG-CE1 4.25Å; M76-Y90 HydrophobicContact SD-CD1 3.2Å; M76-Y90 WeakPolarHBondContact SD-CD1 3.39Å; M76-Y90 HydrophobicContact SD-CD2 4.23Å; M76-Y90 HydrophobicContact SD-CE1 3.18Å; M76-Y90 WeakPolarHBondContact SD-CE1 3.19Å; M76-Y90 HydrophobicContact SD-CE2 4.21Å; M76-Y90 HydrophobicContact SD-CG 3.74Å; Y90-T92 PolarHBondContact O-N 3.39Å | ||
| 91 | S | 88.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.9 | 171.4 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | K74 C75 V89 A95 M96 | K74-S91 CarbonylContact C-O 3.52Å; K74-S91 VanDerWaalsContact CA-O 3.29Å; K74-S91 WeakPolarHBondContact CA-O 3.27Å; C75-S91 PolarHBondContact N-O 3.06Å; C75-S91 PolarHBondContact O-N 3.35Å; V89-S91 PolarHBondContact O-N 3.14Å; S91-A95 WeakPolarHBondContact OG-CB 3.29Å; S91-A95 PolarHBondContact OG-O 3.23Å; S91-M96 WeakPolarHBondContact OG-CA 3.34Å; S91-M96 PolarHBondContact OG-N 2.77Å; S91-M96 VanDerWaalsContact OG-N 3.17Å |
| 92 | T | 90.3 | Very high | 88.4 | Confident | 81 Ų | 81 | 65.4 Ų | 65.4 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 169.1 | -177.8 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | K74 Y90 A95 | K74-T92 HydrophobicContact CB-CG2 3.87Å; Y90-T92 PolarHBondContact O-N 3.39Å; T92-A95 WeakPolarHBondContact O-CB 3.45Å; T92-A95 PolarHBondContact O-N 2.76Å |
| 93 | G | 90.4 | Very high | 88.7 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 22% | 0.216 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | 60 | -145.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | P65 A95 M96 | P65-G93 WeakPolarHBondContact CG-O 3.45Å; G93-A95 PolarHBondContact O-N 3.32Å; G93-M96 VanDerWaalsContact O-CG 3.23Å; G93-M96 WeakPolarHBondContact O-CG 3.18Å; G93-M96 PolarHBondContact O-N 2.68Å |
| 94 | L | 90.8 | Very high | 88.9 | Confident | 95 Ų | 95 | 65 Ų | 65 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -65.6 | -19.8 | 180 | -62.8 | 176.5 | 0 | 0 | 0 | 113.6 | I61 M96 V97 W107 | I61-L94 HydrophobicContact CG2-CD1 4.44Å; I61-L94 HydrophobicContact CG2-CD2 4.16Å; L94-M96 PolarHBondContact O-N 3.38Å; L94-V97 HydrophobicContact CD2-CG2 4.45Å; L94-V97 WeakPolarHBondContact O-CB 3.13Å; L94-V97 PolarHBondContact O-N 3.27Å; L94-W107 HydrophobicContact CD2-CZ2 4.26Å |
| 95 | A | 89.9 | Confident | 89.3 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -68.2 | -19 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S91 T92 G93 H110 | S91-A95 WeakPolarHBondContact OG-CB 3.29Å; S91-A95 PolarHBondContact OG-O 3.23Å; T92-A95 WeakPolarHBondContact O-CB 3.45Å; T92-A95 PolarHBondContact O-N 2.76Å; G93-A95 PolarHBondContact O-N 3.32Å; A95-H110 PolarHBondContact O-ND1 2.96Å |
| 96 | M | 90.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -91.4 | -9.5 | 176.9 | 73.1 | 173.4 | -75.6 | 0 | 0 | 113.7 | P65 K72 K74 S91 G93 L94 C109 H110 | P65-M96 HydrophobicContact CG-CG 4.28Å; P65-M96 HydrophobicContact CG-SD 4.49Å; K72-M96 WeakPolarHBondContact O-CE 3.09Å; K74-M96 PolarHBondContact N-SD 2.68Å; K74-M96 VanDerWaalsContact N-SD 3.4Å; S91-M96 WeakPolarHBondContact OG-CA 3.34Å; S91-M96 PolarHBondContact OG-N 2.77Å; S91-M96 VanDerWaalsContact OG-N 3.17Å; G93-M96 VanDerWaalsContact O-CG 3.23Å; G93-M96 WeakPolarHBondContact O-CG 3.18Å; G93-M96 PolarHBondContact O-N 2.68Å; L94-M96 PolarHBondContact O-N 3.38Å; M96-C109 HydrophobicContact CE-CB 3.85Å; M96-C109 CarbonylContact O-C 3.51Å; M96-C109 WeakPolarHBondContact O-CA 3.49Å; M96-C109 WeakPolarHBondContact O-CB 3.3Å; M96-H110 PolarHBondContact O-N 2.79Å |
| 97 | V | 92.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 137.9 | -177.8 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | P65 L94 W107 | P65-V97 HydrophobicContact CB-CG2 3.87Å; P65-V97 HydrophobicContact CG-CG2 3.83Å; L94-V97 HydrophobicContact CD2-CG2 4.45Å; L94-V97 WeakPolarHBondContact O-CB 3.13Å; L94-V97 PolarHBondContact O-N 3.27Å; V97-W107 HydrophobicContact CB-CE3 4.33Å; V97-W107 HydrophobicContact CG1-CD2 3.91Å; V97-W107 HydrophobicContact CG1-CE3 3.19Å; V97-W107 HydrophobicContact CG1-CG 4.5Å; V97-W107 HydrophobicContact CG1-CZ3 3.63Å; V97-W107 HydrophobicContact CG2-CB 4.33Å; V97-W107 HydrophobicContact CG2-CD2 4.08Å; V97-W107 HydrophobicContact CG2-CE3 4.21Å; V97-W107 HydrophobicContact CG2-CG 4.17Å |
| 98 | G | 93.3 | Very high | 91.4 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -30.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V108 | G98-V108 PolarHBondContact N-O 3.38Å |
| 99 | A | 94.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 167.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V108 L115 | A99-V108 PolarHBondContact N-O 2.56Å; A99-V108 VanDerWaalsContact N-O 3.16Å; A99-V108 PolarHBondContact O-N 3.08Å; A99-L115 HydrophobicContact CB-CD2 3.57Å |
| 100 | I | 95.8 | Very high | 92.7 | Very high | 64 Ų | 64 | 40 Ų | 40 | 33% | 0.328 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.6 | 164.5 | -58.5 | 171.3 | 0 | 0 | 0 | 107.1 | A53 F54 W107 | A53-I100 HydrophobicContact CB-CD1 3.95Å; A53-I100 HydrophobicContact CB-CG1 4.02Å; A53-I100 HydrophobicContact CB-CG2 4.12Å; F54-I100 HydrophobicContact CE2-CD1 3.62Å; F54-I100 HydrophobicContact CZ-CD1 3.91Å; I100-W107 HydrophobicContact CD1-CE3 4.16Å; I100-W107 HydrophobicContact CD1-CH2 3.8Å; I100-W107 HydrophobicContact CD1-CZ3 3.42Å; I100-W107 VanDerWaalsContact CD1-CZ3 3.42Å; I100-W107 HydrophobicContact CG1-CE3 3.44Å; I100-W107 VanDerWaalsContact CG1-CE3 3.44Å; I100-W107 HydrophobicContact CG1-CH2 4.03Å; I100-W107 HydrophobicContact CG1-CZ3 3.16Å |
| 101 | C | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | trans | -86.8 | 127 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | F103 C104 E105 A106 V108 H118 | C101-F103 PolarHBondContact O-N 2.93Å; C101-C104 WeakPolarHBondContact CB-SG 3.45Å; C101-C104 VanDerWaalsContact SG-SG 3.68Å; C101-E105 WeakPolarHBondContact O-CA 3.48Å; C101-E105 PolarHBondContact O-N 2.9Å; C101-A106 PolarHBondContact N-O 3.15Å; C101-V108 HydrophobicContact CB-CG2 4.24Å; C101-H118 VanDerWaalsContact CB-CD2 3.49Å; C101-H118 WeakPolarHBondContact CB-CD2 3.3Å; C101-H118 WeakPolarHBondContact CB-NE2 3.45Å; C101-H118 PolarHBondContact SG-CD2 3.2Å; C101-H118 PolarHBondContact SG-NE2 2.91Å | ||
| 102 | D | 93 | Very high | 93.1 | Very high | 125 Ų | 125 | 40.1 Ų | 40.1 | 67% | 0.668 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18.2 | 178.3 | -59.2 | -29.5 | 0 | 0 | 0 | 113.7 | W137 | D102-W137 VanDerWaalsContact O-CZ2 3.27Å; D102-W137 WeakPolarHBondContact O-CZ2 3.47Å; D102-W137 PolarHBondContact O-NE1 2.68Å; D102-W137 VanDerWaalsContact O-NE1 3.14Å |
| 103 | F | 94 | Very high | 93.1 | Very high | 80 Ų | 80 | 43.4 Ų | 43.4 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -48.2 | -178.4 | -60.8 | -61 | 0 | 0 | 0 | 113.1 | C101 A119 C122 A125 | C101-F103 PolarHBondContact O-N 2.93Å; F103-A119 HydrophobicContact CE2-CB 4.37Å; F103-A119 VanDerWaalsContact CE2-O 3.3Å; F103-A119 WeakPolarHBondContact CE2-O 3.42Å; F103-C122 HydrophobicContact CB-CB 4.15Å; F103-C122 HydrophobicContact CD2-CB 3.95Å; F103-C122 HydrophobicContact CG-CB 4.39Å; F103-A125 HydrophobicContact CB-CB 4.31Å; F103-A125 HydrophobicContact CD1-CB 3.79Å; F103-A125 HydrophobicContact CD2-CB 4.17Å; F103-A125 HydrophobicContact CE1-CB 4.12Å; F103-A125 HydrophobicContact CE2-CB 4.48Å; F103-A125 HydrophobicContact CG-CB 3.82Å; F103-A125 HydrophobicContact CZ-CB 4.46Å |
| 104 | C | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -5.6 | -174.6 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | C36 K50 C101 A106 H118 L124 | C36-C104 HydrophobicContact CB-CB 4.01Å; K50-C104 PolarHBondContact NZ-O 2.8Å; C101-C104 WeakPolarHBondContact CB-SG 3.45Å; C101-C104 VanDerWaalsContact SG-SG 3.68Å; C104-A106 PolarHBondContact O-N 2.92Å; C104-H118 PolarHBondContact SG-NE2 2.73Å; C104-L124 HydrophobicContact CB-CB 4.09Å; C104-L124 HydrophobicContact CB-CD1 3.8Å; C104-L124 HydrophobicContact CB-CG 4.4Å |
| 105 | E | 93.7 | Very high | 93.4 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | trans | 56.5 | 11.7 | -173.7 | -72.7 | 175.1 | -116.4 | 0 | 0 | 115.3 | R52 A53 C101 W137 | R52-E105 CarbonylContact C-O 3.54Å; R52-E105 HydrophobicContact CG-CB 4.35Å; R52-E105 IonicContact CZ-OE1 2.78Å; R52-E105 IonicContact CZ-OE2 2.75Å; R52-E105 IonicContact NH1-OE1 3.04Å; R52-E105 PolarHBondContact NH1-OE1 3.34Å; R52-E105 IonicContact NH1-OE2 3.41Å; R52-E105 PolarHBondContact NH1-OE2 3.36Å; A53-E105 VanDerWaalsContact CB-O 3.23Å; A53-E105 WeakPolarHBondContact CB-O 3.49Å; A53-E105 PolarHBondContact N-O 3.42Å; C101-E105 WeakPolarHBondContact O-CA 3.48Å; C101-E105 PolarHBondContact O-N 2.9Å; E105-W137 VanDerWaalsContact CD-CD2 3.43Å; E105-W137 HydrophobicContact CG-CD2 3.85Å; E105-W137 HydrophobicContact CG-CE3 3.87Å; E105-W137 HydrophobicContact CG-CH2 3.41Å; E105-W137 VanDerWaalsContact CG-CH2 3.41Å; E105-W137 HydrophobicContact CG-CZ2 3.37Å; E105-W137 HydrophobicContact CG-CZ3 3.66Å; E105-W137 WeakPolarHBondContact OE1-CA 3.43Å | ||
| 106 | A | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -92.3 | 155.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | N51 A68 C101 C104 | N51-A106 WeakPolarHBondContact O-CB 3.37Å; A68-A106 HydrophobicContact CB-CB 3.58Å; C101-A106 PolarHBondContact N-O 3.15Å; C104-A106 PolarHBondContact O-N 2.92Å | ||
| 107 | W | 95.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 10% | 0.095 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 136.8 | 175.3 | -64.9 | 120.8 | 0 | 0 | 0 | 111.7 | A53 I61 P65 C67 A68 L94 V97 I100 | A53-W107 HydrophobicContact CB-CD2 3.65Å; A53-W107 VanDerWaalsContact CB-CE2 3.45Å; A53-W107 HydrophobicContact CB-CE3 3.89Å; A53-W107 HydrophobicContact CB-CG 4.28Å; A53-W107 HydrophobicContact CB-CH2 3.8Å; A53-W107 HydrophobicContact CB-CZ2 3.5Å; A53-W107 HydrophobicContact CB-CZ3 4.01Å; I61-W107 HydrophobicContact CG2-CZ2 4.14Å; P65-W107 HydrophobicContact CB-CB 4.05Å; P65-W107 HydrophobicContact CB-CG 3.76Å; C67-W107 CarbonylContact C-O 3.48Å; C67-W107 WeakPolarHBondContact CA-O 3.4Å; A68-W107 WeakPolarHBondContact CB-O 3.32Å; A68-W107 PolarHBondContact N-O 3.24Å; L94-W107 HydrophobicContact CD2-CZ2 4.26Å; V97-W107 HydrophobicContact CB-CE3 4.33Å; V97-W107 HydrophobicContact CG1-CD2 3.91Å; V97-W107 HydrophobicContact CG1-CE3 3.19Å; V97-W107 HydrophobicContact CG1-CG 4.5Å; V97-W107 HydrophobicContact CG1-CZ3 3.63Å; V97-W107 HydrophobicContact CG2-CB 4.33Å; V97-W107 HydrophobicContact CG2-CD2 4.08Å; V97-W107 HydrophobicContact CG2-CE3 4.21Å; V97-W107 HydrophobicContact CG2-CG 4.17Å; I100-W107 HydrophobicContact CD1-CE3 4.16Å; I100-W107 HydrophobicContact CD1-CH2 3.8Å; I100-W107 HydrophobicContact CD1-CZ3 3.42Å; I100-W107 VanDerWaalsContact CD1-CZ3 3.42Å; I100-W107 HydrophobicContact CG1-CE3 3.44Å; I100-W107 VanDerWaalsContact CG1-CE3 3.44Å; I100-W107 HydrophobicContact CG1-CH2 4.03Å; I100-W107 HydrophobicContact CG1-CZ3 3.16Å |
| 108 | V | 95.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.5 | 168.4 | -174.4 | 0 | 0 | 0 | 0 | 108 | A68 G98 A99 C101 C114 L115 H118 | A68-V108 HydrophobicContact CB-CG2 4.45Å; G98-V108 PolarHBondContact N-O 3.38Å; A99-V108 PolarHBondContact N-O 2.56Å; A99-V108 VanDerWaalsContact N-O 3.16Å; A99-V108 PolarHBondContact O-N 3.08Å; C101-V108 HydrophobicContact CB-CG2 4.24Å; V108-C114 HydrophobicContact CG1-CB 3.76Å; V108-L115 HydrophobicContact CB-CD2 4.32Å; V108-L115 HydrophobicContact CG1-CD2 3.97Å; V108-H118 HydrophobicContact CG1-CB 4.25Å; V108-H118 HydrophobicContact CG2-CB 4.2Å; V108-H118 VanDerWaalsContact CG2-CD2 3.43Å; V108-H118 WeakPolarHBondContact CG2-CD2 3.32Å |
| 109 | C | 94.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 158.7 | 179.3 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | C67 M96 G111 C114 L115 | C67-C109 HydrophobicContact CB-CB 3.92Å; C67-C109 PolarHBondContact SG-N 2.7Å; M96-C109 HydrophobicContact CE-CB 3.85Å; M96-C109 CarbonylContact O-C 3.51Å; M96-C109 WeakPolarHBondContact O-CA 3.49Å; M96-C109 WeakPolarHBondContact O-CB 3.3Å; C109-G111 PolarHBondContact O-N 3.2Å; C109-C114 VanDerWaalsContact SG-SG 3.63Å; C109-L115 WeakPolarHBondContact O-CG 3.48Å |
| 110 | H | 92.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -68.6 | 11 | 178.9 | 62.4 | -160.3 | 0 | 0 | 0 | 115 | C75 C82 V83 I84 H86 A95 M96 R112 | C75-H110 WeakPolarHBondContact CB-NE2 3.17Å; C75-H110 PolarHBondContact SG-NE2 3.22Å; C82-H110 PolarHBondContact SG-CD2 2.83Å; C82-H110 PolarHBondContact SG-NE2 3.43Å; V83-H110 WeakPolarHBondContact CB-O 3.41Å; V83-H110 WeakPolarHBondContact CG2-O 3.37Å; V83-H110 PolarHBondContact N-O 2.95Å; I84-H110 HydrophobicContact CD1-CB 4.36Å; I84-H110 HydrophobicContact CG1-CB 4.41Å; H86-H110 AromaticContact CD2-CE1 3.38Å; H86-H110 PolarHBondContact CD2-CE1 3.46Å; H86-H110 AromaticContact CD2-NE2 3.59Å; H86-H110 AromaticContact NE2-CE1 3.38Å; H86-H110 PolarHBondContact NE2-CE1 3.07Å; H86-H110 AromaticContact NE2-NE2 3.07Å; H86-H110 PolarHBondContact NE2-NE2 3.4Å; A95-H110 PolarHBondContact O-ND1 2.96Å; M96-H110 PolarHBondContact O-N 2.79Å; H110-R112 PolarHBondContact O-N 3.01Å |
| 111 | G | 91.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -68.3 | 126.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | C109 K113 C114 L115 | C109-G111 PolarHBondContact O-N 3.2Å; G111-K113 VanDerWaalsContact C-N 3.26Å; G111-K113 PolarHBondContact O-N 3.18Å; G111-C114 WeakPolarHBondContact O-CA 3.25Å; G111-C114 PolarHBondContact O-N 3.47Å; G111-L115 PolarHBondContact O-N 3.29Å |
| 112 | R | 91.3 | Very high | 92.4 | Very high | 132 Ų | 132 | 45 Ų | 45 | 50% | 0.498 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.8 | -41.2 | -176 | -144.4 | -176.4 | -60.7 | -95.5 | -2.5 | 111.5 | D81 V83 H110 C114 S116 | D81-R112 VanDerWaalsContact CG-CB 3.47Å; D81-R112 WeakPolarHBondContact O-CB 3.4Å; D81-R112 PolarHBondContact O-N 2.92Å; D81-R112 WeakPolarHBondContact OD1-CB 3.26Å; D81-R112 WeakPolarHBondContact OD1-CD 3.21Å; D81-R112 IonicContact OD1-NE 3.76Å; D81-R112 PolarHBondContact OD1-NE 3.14Å; D81-R112 VanDerWaalsContact OD1-NE 3.12Å; D81-R112 WeakPolarHBondContact OD2-CB 3.3Å; V83-R112 HydrophobicContact CG2-CB 4.09Å; V83-R112 HydrophobicContact CG2-CG 3.95Å; H110-R112 PolarHBondContact O-N 3.01Å; R112-C114 PolarHBondContact O-N 2.65Å; R112-S116 VanDerWaalsContact O-CB 3.29Å; R112-S116 WeakPolarHBondContact O-CB 3.37Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.33Å |
| 113 | K | 91.2 | Very high | 92.3 | Very high | 150 Ų | 150 | 39.3 Ų | 39.3 | 65% | 0.652 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -56.5 | -45.9 | 170.6 | -174.3 | 177.3 | 179.8 | 179.9 | 0 | 112.9 | D81 G111 S116 T117 | D81-K113 PolarHBondContact OD2-N 2.9Å; D81-K113 VanDerWaalsContact OD2-N 3.12Å; G111-K113 VanDerWaalsContact C-N 3.26Å; G111-K113 PolarHBondContact O-N 3.18Å; K113-S116 PolarHBondContact O-OG 2.83Å; K113-T117 WeakPolarHBondContact O-CB 3.38Å; K113-T117 VanDerWaalsContact O-CG2 3.31Å; K113-T117 WeakPolarHBondContact O-CG2 3.48Å; K113-T117 PolarHBondContact O-N 3.04Å; K113-T117 PolarHBondContact O-OG1 3.36Å |
| 114 | C | 93.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 8% | 0.081 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -47.4 | -177.7 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | Q69 V108 C109 G111 R112 S116 T117 H118 | Q69-C114 HydrophobicContact CB-CB 4.03Å; Q69-C114 HydrophobicContact CG-CB 4.15Å; V108-C114 HydrophobicContact CG1-CB 3.76Å; C109-C114 VanDerWaalsContact SG-SG 3.63Å; G111-C114 WeakPolarHBondContact O-CA 3.25Å; G111-C114 PolarHBondContact O-N 3.47Å; R112-C114 PolarHBondContact O-N 2.65Å; C114-S116 PolarHBondContact O-N 3.23Å; C114-T117 PolarHBondContact O-N 3.49Å; C114-H118 WeakPolarHBondContact O-CB 3.49Å; C114-H118 PolarHBondContact O-N 2.86Å |
| 115 | L | 92.7 | Very high | 92 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 179.2 | -66.8 | 174 | 0 | 0 | 0 | 112.9 | V83 A99 V108 C109 G111 | V83-L115 HydrophobicContact CG2-CD1 3.92Å; A99-L115 HydrophobicContact CB-CD2 3.57Å; V108-L115 HydrophobicContact CB-CD2 4.32Å; V108-L115 HydrophobicContact CG1-CD2 3.97Å; C109-L115 WeakPolarHBondContact O-CG 3.48Å; G111-L115 PolarHBondContact O-N 3.29Å |
| 116 | S | 90.6 | Very high | 91.7 | Very high | 85 Ų | 85 | 41 Ų | 41 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -77.1 | -20.6 | -177.7 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | R112 K113 C114 | R112-S116 VanDerWaalsContact O-CB 3.29Å; R112-S116 WeakPolarHBondContact O-CB 3.37Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.33Å; K113-S116 PolarHBondContact O-OG 2.83Å; C114-S116 PolarHBondContact O-N 3.23Å |
| 117 | T | 90.2 | Very high | 91.6 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -107.6 | -37.9 | -173.8 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | K113 C114 A119 C120 I121 | K113-T117 WeakPolarHBondContact O-CB 3.38Å; K113-T117 VanDerWaalsContact O-CG2 3.31Å; K113-T117 WeakPolarHBondContact O-CG2 3.48Å; K113-T117 PolarHBondContact O-N 3.04Å; K113-T117 PolarHBondContact O-OG1 3.36Å; C114-T117 PolarHBondContact O-N 3.49Å; T117-A119 PolarHBondContact O-N 3.23Å; T117-C120 WeakPolarHBondContact O-CB 3.36Å; T117-C120 PolarHBondContact O-N 3.21Å; T117-I121 WeakPolarHBondContact O-CG1 3.3Å; T117-I121 PolarHBondContact O-N 2.89Å |
| 118 | H | 92.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.7 | -50.9 | -164.1 | -176.9 | 65.6 | 0 | 0 | 0 | 113.6 | Q69 C101 C104 V108 C114 C120 I121 C122 | Q69-H118 HydrophobicContact CB-CB 4.12Å; Q69-H118 HydrophobicContact CG-CB 4.34Å; Q69-H118 PolarHBondContact OE1-ND1 2.9Å; C101-H118 VanDerWaalsContact CB-CD2 3.49Å; C101-H118 WeakPolarHBondContact CB-CD2 3.3Å; C101-H118 WeakPolarHBondContact CB-NE2 3.45Å; C101-H118 PolarHBondContact SG-CD2 3.2Å; C101-H118 PolarHBondContact SG-NE2 2.91Å; C104-H118 PolarHBondContact SG-NE2 2.73Å; V108-H118 HydrophobicContact CG1-CB 4.25Å; V108-H118 HydrophobicContact CG2-CB 4.2Å; V108-H118 VanDerWaalsContact CG2-CD2 3.43Å; V108-H118 WeakPolarHBondContact CG2-CD2 3.32Å; C114-H118 WeakPolarHBondContact O-CB 3.49Å; C114-H118 PolarHBondContact O-N 2.86Å; H118-C120 PolarHBondContact O-N 3.42Å; H118-I121 CarbonylContact O-C 3.55Å; H118-I121 PolarHBondContact O-N 2.95Å; H118-I121 VanDerWaalsContact O-N 3.16Å; H118-C122 WeakPolarHBondContact O-CA 3.38Å; H118-C122 WeakPolarHBondContact O-CB 3.19Å; H118-C122 PolarHBondContact O-N 2.84Å |
| 119 | A | 89.4 | Confident | 91.5 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.9 | -36 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F103 T117 | F103-A119 HydrophobicContact CE2-CB 4.37Å; F103-A119 VanDerWaalsContact CE2-O 3.3Å; F103-A119 WeakPolarHBondContact CE2-O 3.42Å; T117-A119 PolarHBondContact O-N 3.23Å |
| 120 | C | 87.2 | Confident | 91.4 | Very high | 85 Ų | 85 | 48.8 Ų | 48.8 | 57% | 0.574 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -72.5 | -31.2 | -179.4 | -65.6 | 0 | 0 | 0 | 0 | 113.2 | T117 H118 | T117-C120 WeakPolarHBondContact O-CB 3.36Å; T117-C120 PolarHBondContact O-N 3.21Å; H118-C120 PolarHBondContact O-N 3.42Å |
| 121 | I | 89.3 | Confident | 91.5 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 26% | 0.256 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -112.6 | 7.8 | -174.4 | 68.6 | -176.4 | 0 | 0 | 0 | 112.8 | I22 T117 H118 P123 | I22-I121 HydrophobicContact CD1-CG2 3.96Å; I22-I121 HydrophobicContact CG1-CG2 4.12Å; I22-I121 HydrophobicContact CG2-CB 4.44Å; I22-I121 HydrophobicContact CG2-CG2 3.99Å; T117-I121 WeakPolarHBondContact O-CG1 3.3Å; T117-I121 PolarHBondContact O-N 2.89Å; H118-I121 CarbonylContact O-C 3.55Å; H118-I121 PolarHBondContact O-N 2.95Å; H118-I121 VanDerWaalsContact O-N 3.16Å; I121-P123 VanDerWaalsContact O-CD 3.3Å; I121-P123 WeakPolarHBondContact O-CD 3.24Å; I121-P123 VanDerWaalsContact O-N 3.1Å |
| 122 | C | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -53.9 | 121.6 | -175.7 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | R26 F103 H118 L124 A125 | R26-C122 PolarHBondContact NE-O 2.72Å; R26-C122 PolarHBondContact NH2-O 3.39Å; R26-C122 VanDerWaalsContact NH2-O 3.14Å; F103-C122 HydrophobicContact CB-CB 4.15Å; F103-C122 HydrophobicContact CD2-CB 3.95Å; F103-C122 HydrophobicContact CG-CB 4.39Å; H118-C122 WeakPolarHBondContact O-CA 3.38Å; H118-C122 WeakPolarHBondContact O-CB 3.19Å; H118-C122 PolarHBondContact O-N 2.84Å; C122-L124 PolarHBondContact O-N 2.79Å; C122-A125 HydrophobicContact CB-CB 4.41Å; C122-A125 PolarHBondContact O-N 3.04Å | ||
| 123 | P | 91.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.045 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.1 | -179.8 | -24.2 | 35.1 | 0 | 0 | 0 | 112.5 | I29 L31 I121 | I29-P123 HydrophobicContact CD1-CG 4.1Å; I29-P123 HydrophobicContact CG2-CB 4.37Å; I29-P123 HydrophobicContact CG2-CG 4.01Å; L31-P123 HydrophobicContact CD1-CB 3.61Å; I121-P123 VanDerWaalsContact O-CD 3.3Å; I121-P123 WeakPolarHBondContact O-CD 3.24Å; I121-P123 VanDerWaalsContact O-N 3.1Å |
| 124 | L | 92.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 10.7 | -176.5 | -61.5 | -176.5 | 0 | 0 | 0 | 113.9 | L31 K50 C104 C122 D126 A127 V136 I143 | L31-L124 HydrophobicContact CD1-CD2 3.68Å; L31-L124 HydrophobicContact CD1-CG 4.32Å; L31-L124 HydrophobicContact CD2-CD2 4.07Å; L31-L124 HydrophobicContact CG-CD2 4.35Å; K50-L124 HydrophobicContact CD-CD1 4.41Å; C104-L124 HydrophobicContact CB-CB 4.09Å; C104-L124 HydrophobicContact CB-CD1 3.8Å; C104-L124 HydrophobicContact CB-CG 4.4Å; C122-L124 PolarHBondContact O-N 2.79Å; L124-D126 VanDerWaalsContact C-N 3.31Å; L124-D126 PolarHBondContact O-N 3.02Å; L124-A127 HydrophobicContact CB-CB 4.15Å; L124-A127 HydrophobicContact CD2-CB 3.79Å; L124-A127 PolarHBondContact O-N 3.04Å; L124-V136 HydrophobicContact CB-CG2 4.02Å; L124-V136 HydrophobicContact CD1-CG2 4.48Å; L124-I143 HydrophobicContact CD2-CB 3.98Å; L124-I143 HydrophobicContact CD2-CD1 4.05Å; L124-I143 HydrophobicContact CD2-CG1 4.44Å; L124-I143 HydrophobicContact CD2-CG2 4.24Å |
| 125 | A | 90.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | R26 F103 C122 | R26-A125 VanDerWaalsContact NH2-CB 3.26Å; F103-A125 HydrophobicContact CB-CB 4.31Å; F103-A125 HydrophobicContact CD1-CB 3.79Å; F103-A125 HydrophobicContact CD2-CB 4.17Å; F103-A125 HydrophobicContact CE1-CB 4.12Å; F103-A125 HydrophobicContact CE2-CB 4.48Å; F103-A125 HydrophobicContact CG-CB 3.82Å; F103-A125 HydrophobicContact CZ-CB 4.46Å; C122-A125 HydrophobicContact CB-CB 4.41Å; C122-A125 PolarHBondContact O-N 3.04Å |
| 126 | D | 87.9 | Confident | 91.7 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 26.7 | -179.3 | -47.2 | -45 | 0 | 0 | 0 | 110.3 | R26 L124 F152 | R26-D126 IonicContact CZ-OD2 2.76Å; R26-D126 IonicContact NH1-OD2 2.68Å; R26-D126 PolarHBondContact NH1-OD2 2.79Å; L124-D126 VanDerWaalsContact C-N 3.31Å; L124-D126 PolarHBondContact O-N 3.02Å; D126-F152 WeakPolarHBondContact O-CD2 3.34Å; D126-F152 VanDerWaalsContact O-CE2 3.29Å; D126-F152 WeakPolarHBondContact O-CE2 3.41Å |
| 127 | A | 91.7 | Very high | 91.7 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | trans | -87.2 | 113.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L124 V136 I143 F152 | L124-A127 HydrophobicContact CB-CB 4.15Å; L124-A127 HydrophobicContact CD2-CB 3.79Å; L124-A127 PolarHBondContact O-N 3.04Å; A127-V136 HydrophobicContact CB-CG2 3.95Å; A127-I143 HydrophobicContact CB-CD1 3.86Å; A127-I143 HydrophobicContact CB-CG2 4.35Å; A127-F152 HydrophobicContact CB-CD1 4.08Å; A127-F152 HydrophobicContact CB-CD2 4.19Å; A127-F152 HydrophobicContact CB-CE1 4.17Å; A127-F152 HydrophobicContact CB-CE2 4.28Å; A127-F152 HydrophobicContact CB-CG 4.07Å; A127-F152 HydrophobicContact CB-CZ 4.27Å | ||
| 128 | E | 94.3 | Very high | 91.8 | Very high | 114 Ų | 114 | 55.1 Ų | 55.1 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -141.2 | 129.9 | 176.9 | -177.7 | -179.9 | 177.6 | 0 | 0 | 107.8 | I130 F152 | E128-I130 PolarHBondContact O-N 3.39Å; E128-F152 WeakPolarHBondContact O-CB 3.43Å |
| 129 | C | 94.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | trans | -68.2 | 127.8 | -179.2 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | E131 C132 E133 R134 F152 C154 D157 | C129-E131 VanDerWaalsContact C-N 3.3Å; C129-E131 PolarHBondContact O-N 2.78Å; C129-C132 VanDerWaalsContact CB-SG 3.51Å; C129-C132 VanDerWaalsContact SG-SG 3.63Å; C129-E133 WeakPolarHBondContact O-CA 3.41Å; C129-E133 PolarHBondContact O-N 3.28Å; C129-R134 PolarHBondContact N-O 3.04Å; C129-F152 WeakPolarHBondContact CA-O 3.35Å; C129-C154 HydrophobicContact CB-CB 4.29Å; C129-C154 PolarHBondContact SG-N 3.01Å; C129-D157 PolarHBondContact SG-OD2 2.77Å | ||
| 130 | I | 93.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 53 Ų | 53 | 40% | 0.395 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -26.2 | -180 | -169.2 | 163.4 | 0 | 0 | 0 | 113.6 | E128 N151 F152 L153 | E128-I130 PolarHBondContact O-N 3.39Å; I130-N151 HydrophobicContact CB-CB 4.27Å; I130-N151 HydrophobicContact CD1-CB 4.15Å; I130-N151 WeakPolarHBondContact CD1-ND2 3.43Å; I130-N151 HydrophobicContact CG2-CB 4.1Å; I130-F152 PolarHBondContact N-O 3.22Å; I130-L153 HydrophobicContact CG2-CD2 3.72Å |
| 131 | E | 93.9 | Very high | 91.9 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -53.8 | -179.7 | -61.4 | -56.3 | 142 | 0 | 0 | 112.9 | C129 L153 D157 H161 | C129-E131 VanDerWaalsContact C-N 3.3Å; C129-E131 PolarHBondContact O-N 2.78Å; E131-L153 HydrophobicContact CG-CD2 4.1Å; E131-D157 HydrophobicContact CB-CB 3.96Å; E131-D157 HydrophobicContact CG-CB 4.12Å; E131-H161 HydrophobicContact CG-CB 4.23Å; E131-H161 IonicContact OE1-CE1 2.68Å; E131-H161 PolarHBondContact OE1-CE1 3.5Å; E131-H161 IonicContact OE1-CG 2.68Å; E131-H161 IonicContact OE1-ND1 3.84Å; E131-H161 PolarHBondContact OE1-ND1 3.45Å |
| 132 | C | 94.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 50 Ų | 50 | 28% | 0.277 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 0.4 | -177.6 | 65.6 | 0 | 0 | 0 | 0 | 115.3 | C129 R134 D157 | C129-C132 VanDerWaalsContact CB-SG 3.51Å; C129-C132 VanDerWaalsContact SG-SG 3.63Å; C132-R134 PolarHBondContact O-N 3.31Å; C132-R134 PolarHBondContact SG-NE 3.25Å; C132-R134 VanDerWaalsContact SG-NE 3.42Å; C132-D157 WeakPolarHBondContact CB-OD2 3.46Å; C132-D157 PolarHBondContact SG-OD2 3.35Å |
| 133 | E | 94.3 | Very high | 92.2 | Very high | 151 Ų | 151 | 50.1 Ų | 50.1 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | trans | 55.4 | 14.9 | 179.7 | -57.3 | -178 | 168 | 0 | 0 | 114.5 | C129 | C129-E133 WeakPolarHBondContact O-CA 3.41Å; C129-E133 PolarHBondContact O-N 3.28Å | ||
| 134 | R | 93.1 | Very high | 92.4 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 28% | 0.275 | 25% | 0.253 | S | S | . | . | trans | -83.1 | 132.5 | 178.7 | -72.9 | -172.4 | -62.9 | 172.8 | -0.9 | 110.2 | C129 C132 D138 D156 | C129-R134 PolarHBondContact N-O 3.04Å; C132-R134 PolarHBondContact O-N 3.31Å; C132-R134 PolarHBondContact SG-NE 3.25Å; C132-R134 VanDerWaalsContact SG-NE 3.42Å; R134-D138 HydrophobicContact CB-CB 3.94Å; R134-D138 HydrophobicContact CG-CB 4.04Å; R134-D156 IonicContact NH2-OD2 3.36Å | ||
| 135 | S | 91.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -77.9 | 172.8 | 172.2 | 81.4 | 0 | 0 | 0 | 0 | 110.5 | W137 D138 H139 | S135-W137 PolarHBondContact O-N 2.93Å; S135-W137 VanDerWaalsContact O-N 3.09Å; S135-W137 PolarHBondContact OG-N 3.43Å; S135-D138 WeakPolarHBondContact CB-OD2 3.46Å; S135-D138 PolarHBondContact N-OD2 3.2Å; S135-D138 VanDerWaalsContact N-OD2 3.14Å; S135-D138 PolarHBondContact O-N 3.31Å; S135-D138 PolarHBondContact OG-OD2 2.86Å; S135-H139 PolarHBondContact O-CD2 3.48Å; S135-H139 PolarHBondContact O-NE2 3.03Å |
| 136 | V | 91.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -46.5 | -42 | 170.6 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | K50 R52 L124 A127 D138 I143 | K50-V136 VanDerWaalsContact CE-CG1 3.41Å; K50-V136 VanDerWaalsContact NZ-CG1 3.31Å; R52-V136 PolarHBondContact NH2-O 2.76Å; L124-V136 HydrophobicContact CB-CG2 4.02Å; L124-V136 HydrophobicContact CD1-CG2 4.48Å; A127-V136 HydrophobicContact CB-CG2 3.95Å; V136-D138 PolarHBondContact O-N 2.98Å; V136-I143 HydrophobicContact CB-CD1 4.44Å; V136-I143 HydrophobicContact CG2-CD1 3.52Å |
| 137 | W | 91 | Very high | 92.5 | Very high | 139 Ų | 139 | 50.5 Ų | 50.5 | 53% | 0.527 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -68.6 | -22.6 | -173.7 | -70 | 77.5 | 0 | 0 | 0 | 113.8 | D102 E105 S135 | D102-W137 VanDerWaalsContact O-CZ2 3.27Å; D102-W137 WeakPolarHBondContact O-CZ2 3.47Å; D102-W137 PolarHBondContact O-NE1 2.68Å; D102-W137 VanDerWaalsContact O-NE1 3.14Å; E105-W137 VanDerWaalsContact CD-CD2 3.43Å; E105-W137 HydrophobicContact CG-CD2 3.85Å; E105-W137 HydrophobicContact CG-CE3 3.87Å; E105-W137 HydrophobicContact CG-CH2 3.41Å; E105-W137 VanDerWaalsContact CG-CH2 3.41Å; E105-W137 HydrophobicContact CG-CZ2 3.37Å; E105-W137 HydrophobicContact CG-CZ3 3.66Å; E105-W137 WeakPolarHBondContact OE1-CA 3.43Å; S135-W137 PolarHBondContact O-N 2.93Å; S135-W137 VanDerWaalsContact O-N 3.09Å; S135-W137 PolarHBondContact OG-N 3.43Å |
| 138 | D | 92 | Very high | 92.4 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -99 | 3.4 | -167.8 | -50.3 | -58.8 | 0 | 0 | 0 | 113.4 | Y56 R134 S135 V136 | Y56-D138 PolarHBondContact OH-O 3.36Å; R134-D138 HydrophobicContact CB-CB 3.94Å; R134-D138 HydrophobicContact CG-CB 4.04Å; S135-D138 WeakPolarHBondContact CB-OD2 3.46Å; S135-D138 PolarHBondContact N-OD2 3.2Å; S135-D138 VanDerWaalsContact N-OD2 3.14Å; S135-D138 PolarHBondContact O-N 3.31Å; S135-D138 PolarHBondContact OG-OD2 2.86Å; V136-D138 PolarHBondContact O-N 2.98Å |
| 139 | H | 90.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | trans | -147.4 | 149 | 174.9 | 69.7 | 79.4 | 0 | 0 | 0 | 113.3 | R52 S135 G141 I143 | R52-H139 PolarHBondContact NH2-O 3.2Å; S135-H139 PolarHBondContact O-CD2 3.48Å; S135-H139 PolarHBondContact O-NE2 3.03Å; H139-G141 PolarHBondContact ND1-O 2.93Å; H139-I143 VanDerWaalsContact CE1-CG1 3.42Å; H139-I143 WeakPolarHBondContact CE1-CG1 3.48Å | ||
| 140 | G | 88.9 | Confident | 91.9 | Very high | 5 Ų | 5 | 51 Ų | 51 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -84.1 | -22.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q49 K50 | Q49-G140 CarbonylContact C-O 3.55Å; Q49-G140 VanDerWaalsContact CA-O 3.32Å; Q49-G140 WeakPolarHBondContact CA-O 3.47Å; Q49-G140 VanDerWaalsContact CB-O 3.3Å; Q49-G140 WeakPolarHBondContact CB-O 3.26Å; K50-G140 PolarHBondContact N-O 3.4Å |
| 141 | G | 91.9 | Very high | 91.8 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -71.8 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K50 H139 | K50-G141 WeakPolarHBondContact CD-O 3.4Å; K50-G141 WeakPolarHBondContact CG-O 3.27Å; H139-G141 PolarHBondContact ND1-O 2.93Å |
| 142 | R | 94.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 46 Ų | 46 | 21% | 0.211 | 24% | 0.235 | C | C | . | . | trans | -69.3 | 162.4 | 171 | -66.1 | -175.7 | -67.6 | 164.8 | 1.8 | 111.3 | N37 K50 F144 E155 | N37-R142 VanDerWaalsContact O-CD 3.24Å; N37-R142 WeakPolarHBondContact O-CD 3.43Å; N37-R142 WeakPolarHBondContact O-CG 3.47Å; N37-R142 WeakPolarHBondContact OD1-CA 3.25Å; K50-R142 HydrophobicContact CB-CG 3.94Å; R142-F144 HydrophobicContact CB-CE2 3.77Å; R142-F144 HydrophobicContact CB-CZ 3.88Å; R142-E155 IonicContact CZ-OE1 2.65Å; R142-E155 PolarHBondContact N-OE2 2.99Å; R142-E155 IonicContact NE-OE1 3.77Å; R142-E155 PolarHBondContact NE-OE1 3.47Å; R142-E155 IonicContact NE-OE2 2.72Å; R142-E155 IonicContact NH2-OE1 3.12Å; R142-E155 PolarHBondContact NH2-OE1 3.16Å; R142-E155 PolarHBondContact O-N 3.22Å | ||
| 143 | I | 94.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.2 | 174.6 | -59.7 | -174.3 | 0 | 0 | 0 | 109.4 | L31 N37 L124 A127 V136 H139 F152 L153 | L31-I143 HydrophobicContact CD2-CB 4.19Å; L31-I143 HydrophobicContact CD2-CG2 3.85Å; L31-I143 VanDerWaalsContact CD2-O 3.3Å; L31-I143 WeakPolarHBondContact CD2-O 3.46Å; L31-I143 WeakPolarHBondContact CG-O 3.43Å; N37-I143 PolarHBondContact ND2-O 2.62Å; N37-I143 PolarHBondContact OD1-N 3.35Å; L124-I143 HydrophobicContact CD2-CB 3.98Å; L124-I143 HydrophobicContact CD2-CD1 4.05Å; L124-I143 HydrophobicContact CD2-CG1 4.44Å; L124-I143 HydrophobicContact CD2-CG2 4.24Å; A127-I143 HydrophobicContact CB-CD1 3.86Å; A127-I143 HydrophobicContact CB-CG2 4.35Å; V136-I143 HydrophobicContact CB-CD1 4.44Å; V136-I143 HydrophobicContact CG2-CD1 3.52Å; H139-I143 VanDerWaalsContact CE1-CG1 3.42Å; H139-I143 WeakPolarHBondContact CE1-CG1 3.48Å; I143-F152 HydrophobicContact CG2-CB 4.01Å; I143-F152 HydrophobicContact CG2-CD1 3.71Å; I143-F152 HydrophobicContact CG2-CG 4.26Å; I143-L153 CarbonylContact C-O 3.55Å; I143-L153 WeakPolarHBondContact CA-O 3.38Å |
| 144 | F | 93.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 10% | 0.101 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 161.9 | 178.6 | -59.4 | -85.5 | 0 | 0 | 0 | 109.9 | A32 R142 F152 L153 E155 Q158 | A32-F144 HydrophobicContact CB-CD1 4.2Å; A32-F144 HydrophobicContact CB-CE1 4.03Å; R142-F144 HydrophobicContact CB-CE2 3.77Å; R142-F144 HydrophobicContact CB-CZ 3.88Å; F144-F152 CarbonylContact O-C 3.57Å; F144-F152 VanDerWaalsContact O-CA 3.3Å; F144-F152 WeakPolarHBondContact O-CA 3.42Å; F144-L153 PolarHBondContact N-O 3.31Å; F144-L153 PolarHBondContact O-N 2.86Å; F144-E155 HydrophobicContact CE2-CB 3.88Å; F144-E155 HydrophobicContact CE2-CG 3.97Å; F144-Q158 HydrophobicContact CB-CB 4.43Å; F144-Q158 HydrophobicContact CD2-CB 4.2Å; F144-Q158 HydrophobicContact CD2-CG 4.33Å |
| 145 | A | 92.1 | Very high | 91.8 | Very high | 42 Ų | 42 | 36 Ų | 36 | 35% | 0.347 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108 | S147 N151 | A145-S147 PolarHBondContact O-N 3.44Å; A145-N151 WeakPolarHBondContact CA-O 3.43Å |
| 146 | C | 91.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -62 | 134.1 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | F148 C149 H150 N151 L153 | C146-F148 PolarHBondContact O-N 3.48Å; C146-F148 PolarHBondContact SG-N 2.95Å; C146-C149 WeakPolarHBondContact CB-SG 3.5Å; C146-C149 VanDerWaalsContact SG-SG 3.63Å; C146-H150 WeakPolarHBondContact O-CA 3.49Å; C146-H150 PolarHBondContact O-N 3.22Å; C146-H150 PolarHBondContact O-ND1 3.24Å; C146-H150 VanDerWaalsContact O-ND1 3.07Å; C146-N151 PolarHBondContact N-O 3.32Å; C146-L153 HydrophobicContact CB-CD1 3.8Å | ||
| 147 | S | 88.8 | Confident | 91.9 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 57% | 0.573 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.5 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | A145 | A145-S147 PolarHBondContact O-N 3.44Š|
| 148 | F | 89.8 | Confident | 92 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -48.7 | -175.3 | -54.8 | -58.1 | 0 | 0 | 0 | 113 | C146 C165 Q166 L187 H218 | C146-F148 PolarHBondContact O-N 3.48Å; C146-F148 PolarHBondContact SG-N 2.95Å; F148-C165 HydrophobicContact CD2-CB 4.13Å; F148-Q166 HydrophobicContact CD1-CG 3.97Å; F148-Q166 HydrophobicContact CD2-CG 3.88Å; F148-Q166 HydrophobicContact CE1-CG 4.05Å; F148-Q166 HydrophobicContact CE2-CG 3.92Å; F148-Q166 HydrophobicContact CG-CG 3.92Å; F148-Q166 HydrophobicContact CZ-CG 4.04Å; F148-L187 HydrophobicContact CB-CD1 3.75Å; F148-L187 HydrophobicContact CG-CD1 4.41Å; F148-H218 PolarHBondContact O-NE2 2.9Å |
| 149 | C | 90.1 | Very high | 92 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -10.6 | -176.1 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | C146 N151 H161 L187 R188 | C146-C149 WeakPolarHBondContact CB-SG 3.5Å; C146-C149 VanDerWaalsContact SG-SG 3.63Å; C149-N151 PolarHBondContact O-N 2.91Å; C149-N151 VanDerWaalsContact O-N 3.08Å; C149-H161 PolarHBondContact SG-NE2 3.31Å; C149-L187 WeakPolarHBondContact CB-O 3.03Å; C149-R188 HydrophobicContact CB-CB 4.2Å; C149-R188 VanDerWaalsContact O-CD 3.27Å; C149-R188 WeakPolarHBondContact O-CD 3.43Å; C149-R188 VanDerWaalsContact O-CG 3.31Å; C149-R188 WeakPolarHBondContact O-CG 3.14Å |
| 150 | H | 89.9 | Confident | 92.1 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | trans | 54.5 | 18.5 | -175.1 | -60.2 | -33.8 | 0 | 0 | 0 | 115.7 | C146 H218 | C146-H150 WeakPolarHBondContact O-CA 3.49Å; C146-H150 PolarHBondContact O-N 3.22Å; C146-H150 PolarHBondContact O-ND1 3.24Å; C146-H150 VanDerWaalsContact O-ND1 3.07Å; H150-H218 AromaticContact CD2-CE1 3.15Å; H150-H218 PolarHBondContact CD2-CE1 2.89Å; H150-H218 AromaticContact CD2-ND1 3.62Å; H150-H218 AromaticContact CG-CE1 3.93Å; H150-H218 AromaticContact NE2-CE1 3.66Å | ||
| 151 | N | 92 | Very high | 92.3 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | trans | -78.9 | 155.6 | 169 | -64.8 | -32.6 | 0 | 0 | 0 | 110.2 | I130 A145 C146 C149 R188 | I130-N151 HydrophobicContact CB-CB 4.27Å; I130-N151 HydrophobicContact CD1-CB 4.15Å; I130-N151 WeakPolarHBondContact CD1-ND2 3.43Å; I130-N151 HydrophobicContact CG2-CB 4.1Å; A145-N151 WeakPolarHBondContact CA-O 3.43Å; C146-N151 PolarHBondContact N-O 3.32Å; C149-N151 PolarHBondContact O-N 2.91Å; C149-N151 VanDerWaalsContact O-N 3.08Å; N151-R188 PolarHBondContact OD1-NE 3.2Å | ||
| 152 | F | 93.9 | Very high | 92.2 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 23% | 0.228 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 143.5 | 179.4 | -66.6 | -74.6 | 0 | 0 | 0 | 111 | L31 D126 A127 E128 C129 I130 I143 F144 | L31-F152 HydrophobicContact CD2-CD1 3.89Å; L31-F152 HydrophobicContact CD2-CE1 3.79Å; D126-F152 WeakPolarHBondContact O-CD2 3.34Å; D126-F152 VanDerWaalsContact O-CE2 3.29Å; D126-F152 WeakPolarHBondContact O-CE2 3.41Å; A127-F152 HydrophobicContact CB-CD1 4.08Å; A127-F152 HydrophobicContact CB-CD2 4.19Å; A127-F152 HydrophobicContact CB-CE1 4.17Å; A127-F152 HydrophobicContact CB-CE2 4.28Å; A127-F152 HydrophobicContact CB-CG 4.07Å; A127-F152 HydrophobicContact CB-CZ 4.27Å; E128-F152 WeakPolarHBondContact O-CB 3.43Å; C129-F152 WeakPolarHBondContact CA-O 3.35Å; I130-F152 PolarHBondContact N-O 3.22Å; I143-F152 HydrophobicContact CG2-CB 4.01Å; I143-F152 HydrophobicContact CG2-CD1 3.71Å; I143-F152 HydrophobicContact CG2-CG 4.26Å; F144-F152 CarbonylContact O-C 3.57Å; F144-F152 VanDerWaalsContact O-CA 3.3Å; F144-F152 WeakPolarHBondContact O-CA 3.42Å |
| 153 | L | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.6 | -179.1 | -63.5 | 166.5 | 0 | 0 | 0 | 108.5 | I130 E131 I143 F144 C146 Q158 H161 | I130-L153 HydrophobicContact CG2-CD2 3.72Å; E131-L153 HydrophobicContact CG-CD2 4.1Å; I143-L153 CarbonylContact C-O 3.55Å; I143-L153 WeakPolarHBondContact CA-O 3.38Å; F144-L153 PolarHBondContact N-O 3.31Å; F144-L153 PolarHBondContact O-N 2.86Å; C146-L153 HydrophobicContact CB-CD1 3.8Å; L153-Q158 HydrophobicContact CB-CB 4.17Å; L153-H161 HydrophobicContact CD1-CB 3.82Å; L153-H161 HydrophobicContact CD2-CB 3.6Å; L153-H161 VanDerWaalsContact CD2-CG 3.48Å; L153-H161 HydrophobicContact CG-CB 4.36Å |
| 154 | C | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 164.2 | 169.2 | 81.4 | 0 | 0 | 0 | 0 | 110.3 | C129 D156 D157 Q158 | C129-C154 HydrophobicContact CB-CB 4.29Å; C129-C154 PolarHBondContact SG-N 3.01Å; C154-D156 PolarHBondContact O-N 3.04Å; C154-D157 PolarHBondContact O-N 3.23Å; C154-D157 VanDerWaalsContact SG-CG 3.52Å; C154-D157 PolarHBondContact SG-N 3.42Å; C154-D157 PolarHBondContact SG-OD2 3.04Å; C154-Q158 WeakPolarHBondContact O-CB 3.3Å; C154-Q158 PolarHBondContact O-N 2.7Å |
| 155 | E | 91.7 | Very high | 91.5 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.7 | 179.6 | -172.1 | 157 | -148.5 | 0 | 0 | 113.6 | R142 F144 | R142-E155 IonicContact CZ-OE1 2.65Å; R142-E155 PolarHBondContact N-OE2 2.99Å; R142-E155 IonicContact NE-OE1 3.77Å; R142-E155 PolarHBondContact NE-OE1 3.47Å; R142-E155 IonicContact NE-OE2 2.72Å; R142-E155 IonicContact NH2-OE1 3.12Å; R142-E155 PolarHBondContact NH2-OE1 3.16Å; R142-E155 PolarHBondContact O-N 3.22Å; F144-E155 HydrophobicContact CE2-CB 3.88Å; F144-E155 HydrophobicContact CE2-CG 3.97Å |
| 156 | D | 91.7 | Very high | 91.3 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -45.4 | 178.4 | -55.2 | -31.1 | 0 | 0 | 0 | 110.9 | R134 C154 | R134-D156 IonicContact NH2-OD2 3.36Å; C154-D156 PolarHBondContact O-N 3.04Å |
| 157 | D | 94.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -11.7 | -172.9 | -56.5 | -33.7 | 0 | 0 | 0 | 113.8 | C129 E131 C132 C154 F159 E160 H161 | C129-D157 PolarHBondContact SG-OD2 2.77Å; E131-D157 HydrophobicContact CB-CB 3.96Å; E131-D157 HydrophobicContact CG-CB 4.12Å; C132-D157 WeakPolarHBondContact CB-OD2 3.46Å; C132-D157 PolarHBondContact SG-OD2 3.35Å; C154-D157 PolarHBondContact O-N 3.23Å; C154-D157 VanDerWaalsContact SG-CG 3.52Å; C154-D157 PolarHBondContact SG-N 3.42Å; C154-D157 PolarHBondContact SG-OD2 3.04Å; D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 3.29Å; D157-E160 PolarHBondContact O-N 2.97Å; D157-H161 WeakPolarHBondContact O-CB 3.5Å; D157-H161 PolarHBondContact O-N 3.43Å |
| 158 | Q | 92.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -36.1 | -169.1 | 70.5 | 173.1 | -25.8 | 0 | 0 | 113.7 | F144 L153 C154 Q162 | F144-Q158 HydrophobicContact CB-CB 4.43Å; F144-Q158 HydrophobicContact CD2-CB 4.2Å; F144-Q158 HydrophobicContact CD2-CG 4.33Å; L153-Q158 HydrophobicContact CB-CB 4.17Å; C154-Q158 WeakPolarHBondContact O-CB 3.3Å; C154-Q158 PolarHBondContact O-N 2.7Å; Q158-Q162 VanDerWaalsContact O-CB 3.26Å; Q158-Q162 WeakPolarHBondContact O-CB 3.23Å; Q158-Q162 WeakPolarHBondContact O-CG 3.46Å; Q158-Q162 PolarHBondContact O-N 3.35Å |
| 159 | F | 92.6 | Very high | 89.3 | Confident | 144 Ų | 144 | 57.3 Ų | 57.3 | 63% | 0.632 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -80.4 | -44.4 | -173 | -67.7 | -66.1 | 0 | 0 | 0 | 111.1 | D157 Q162 A163 | D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 3.29Å; F159-Q162 PolarHBondContact O-N 3.3Å; F159-A163 WeakPolarHBondContact O-CB 3.49Å; F159-A163 PolarHBondContact O-N 2.81Å |
| 160 | E | 92.6 | Very high | 88.2 | Confident | 148 Ų | 148 | 59.1 Ų | 59.1 | 69% | 0.692 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 178.4 | -62 | -172.8 | 175.5 | 0 | 0 | 111.2 | D157 A163 S164 | D157-E160 PolarHBondContact O-N 2.97Å; E160-A163 PolarHBondContact O-N 3.3Å; E160-S164 PolarHBondContact O-N 3.12Å; E160-S164 PolarHBondContact O-OG 2.75Å |
| 161 | H | 92.7 | Very high | 87.1 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 174 | -174.6 | 96.7 | 0 | 0 | 0 | 111.3 | E131 C149 L153 D157 A163 S164 C165 | E131-H161 HydrophobicContact CG-CB 4.23Å; E131-H161 IonicContact OE1-CE1 2.68Å; E131-H161 PolarHBondContact OE1-CE1 3.5Å; E131-H161 IonicContact OE1-CG 2.68Å; E131-H161 IonicContact OE1-ND1 3.84Å; E131-H161 PolarHBondContact OE1-ND1 3.45Å; C149-H161 PolarHBondContact SG-NE2 3.31Å; L153-H161 HydrophobicContact CD1-CB 3.82Å; L153-H161 HydrophobicContact CD2-CB 3.6Å; L153-H161 VanDerWaalsContact CD2-CG 3.48Å; L153-H161 HydrophobicContact CG-CB 4.36Å; D157-H161 WeakPolarHBondContact O-CB 3.5Å; D157-H161 PolarHBondContact O-N 3.43Å; H161-A163 VanDerWaalsContact C-N 3.26Å; H161-A163 PolarHBondContact O-N 3.37Å; H161-S164 PolarHBondContact O-N 2.87Å; H161-S164 VanDerWaalsContact O-N 3.16Å; H161-S164 PolarHBondContact O-OG 2.73Å; H161-C165 PolarHBondContact NE2-SG 3.3Å; H161-C165 VanDerWaalsContact NE2-SG 3.37Å; H161-C165 WeakPolarHBondContact O-CA 3.5Å; H161-C165 WeakPolarHBondContact O-CB 3.38Å; H161-C165 PolarHBondContact O-N 3.17Å |
| 162 | Q | 90.8 | Very high | 86.3 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -33.7 | -179.4 | -79.3 | -176.6 | 38 | 0 | 0 | 113 | Q158 F159 S164 | Q158-Q162 VanDerWaalsContact O-CB 3.26Å; Q158-Q162 WeakPolarHBondContact O-CB 3.23Å; Q158-Q162 WeakPolarHBondContact O-CG 3.46Å; Q158-Q162 PolarHBondContact O-N 3.35Å; F159-Q162 PolarHBondContact O-N 3.3Å; Q162-S164 VanDerWaalsContact C-N 3.33Å |
| 163 | A | 88.5 | Confident | 85.9 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 74% | 0.736 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.8 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F159 E160 H161 | F159-A163 WeakPolarHBondContact O-CB 3.49Å; F159-A163 PolarHBondContact O-N 2.81Å; E160-A163 PolarHBondContact O-N 3.3Å; H161-A163 VanDerWaalsContact C-N 3.26Å; H161-A163 PolarHBondContact O-N 3.37Å |
| 164 | S | 87.7 | Confident | 85.7 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -106 | -12.8 | -175.3 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | E160 H161 Q162 Q166 V167 | E160-S164 PolarHBondContact O-N 3.12Å; E160-S164 PolarHBondContact O-OG 2.75Å; H161-S164 PolarHBondContact O-N 2.87Å; H161-S164 VanDerWaalsContact O-N 3.16Å; H161-S164 PolarHBondContact O-OG 2.73Å; Q162-S164 VanDerWaalsContact C-N 3.33Å; S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact O-N 3.47Å; S164-Q166 VanDerWaalsContact O-N 3.15Å; S164-V167 WeakPolarHBondContact O-CB 3.38Å; S164-V167 PolarHBondContact O-N 3.01Å |
| 165 | C | 89.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.2 | -170.2 | -177.4 | 0 | 0 | 0 | 0 | 114.2 | F148 H161 V167 K190 | F148-C165 HydrophobicContact CD2-CB 4.13Å; H161-C165 PolarHBondContact NE2-SG 3.3Å; H161-C165 VanDerWaalsContact NE2-SG 3.37Å; H161-C165 WeakPolarHBondContact O-CA 3.5Å; H161-C165 WeakPolarHBondContact O-CB 3.38Å; H161-C165 PolarHBondContact O-N 3.17Å; C165-V167 PolarHBondContact O-N 3.06Å; C165-K190 VanDerWaalsContact C-NZ 3.3Å; C165-K190 PolarHBondContact O-NZ 3.04Å |
| 166 | Q | 87.2 | Confident | 85.3 | Confident | 75 Ų | 75 | 72 Ų | 72 | 35% | 0.35 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -16 | 175.9 | -65.6 | -176.9 | -0.2 | 0 | 0 | 113 | F148 S164 | F148-Q166 HydrophobicContact CD1-CG 3.97Å; F148-Q166 HydrophobicContact CD2-CG 3.88Å; F148-Q166 HydrophobicContact CE1-CG 4.05Å; F148-Q166 HydrophobicContact CE2-CG 3.92Å; F148-Q166 HydrophobicContact CG-CG 3.92Å; F148-Q166 HydrophobicContact CZ-CG 4.04Å; S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact O-N 3.47Å; S164-Q166 VanDerWaalsContact O-N 3.15Å |
| 167 | V | 83.2 | Confident | 85.2 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | trans | -79.1 | 132 | -180 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | S164 C165 K190 | S164-V167 WeakPolarHBondContact O-CB 3.38Å; S164-V167 PolarHBondContact O-N 3.01Å; C165-V167 PolarHBondContact O-N 3.06Å; V167-K190 PolarHBondContact O-NZ 3.29Å | ||
| 168 | L | 79.6 | Confident | 85 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | trans | -92.8 | 129.9 | 171.6 | -66.2 | 168.3 | 0 | 0 | 0 | 109 | A170 F173 S185 L187 K190 T223 L226 | L168-A170 VanDerWaalsContact C-N 3.31Å; L168-F173 HydrophobicContact CB-CE1 4.42Å; L168-F173 HydrophobicContact CD1-CD1 4.47Å; L168-F173 HydrophobicContact CD1-CE1 4.38Å; L168-S185 VanDerWaalsContact CD1-OG 3.28Å; L168-S185 WeakPolarHBondContact CD1-OG 3.32Å; L168-L187 HydrophobicContact CD2-CD2 4.22Å; L168-K190 HydrophobicContact CD2-CD 4.49Å; L168-T223 HydrophobicContact CD1-CG2 4.36Å; L168-L226 HydrophobicContact CD1-CD1 3.8Å; L168-L226 HydrophobicContact CG-CD1 4.28Å | ||
| 169 | E | 66.1 | Low | 84.9 | Confident | 166 Ų | 166 | 77.1 Ų | 77.1 | 78% | 0.776 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75.4 | -22.3 | 179.9 | -64.1 | 176.4 | 175.9 | 0 | 0 | 112.7 | E171 | E169-E171 PolarHBondContact O-N 3.42Å; E169-E171 VanDerWaalsContact O-N 3.1Å |
| 170 | A | 67.6 | Low | 84.7 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | trans | -78.6 | 96.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L168 T172 F173 | L168-A170 VanDerWaalsContact C-N 3.31Å; A170-T172 PolarHBondContact O-N 2.92Å; A170-F173 PolarHBondContact O-N 3.13Å | ||
| 171 | E | 67.2 | Low | 84.6 | Confident | 178 Ų | 178 | 77.8 Ų | 77.8 | 83% | 0.832 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.3 | 176.3 | -64 | -178.2 | 169.6 | 0 | 0 | 113.8 | E169 F173 | E169-E171 PolarHBondContact O-N 3.42Å; E169-E171 VanDerWaalsContact O-N 3.1Å; E171-F173 VanDerWaalsContact O-CD2 3.27Å; E171-F173 WeakPolarHBondContact O-CD2 3.36Å; E171-F173 WeakPolarHBondContact O-CE2 3.38Å |
| 172 | T | 74.6 | Confident | 84.4 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -17.1 | -173.3 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | A170 K174 | A170-T172 PolarHBondContact O-N 2.92Å; T172-K174 WeakPolarHBondContact O-CG 3.46Å; T172-K174 PolarHBondContact O-N 3.22Å |
| 173 | F | 84.6 | Confident | 84.3 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 21% | 0.211 | 43% | 0.433 | C | S | . | . | trans | 46.6 | 26.2 | -174.7 | -54 | -67.8 | 0 | 0 | 0 | 114.3 | L168 A170 E171 G182 T223 M228 | L168-F173 HydrophobicContact CB-CE1 4.42Å; L168-F173 HydrophobicContact CD1-CD1 4.47Å; L168-F173 HydrophobicContact CD1-CE1 4.38Å; A170-F173 PolarHBondContact O-N 3.13Å; E171-F173 VanDerWaalsContact O-CD2 3.27Å; E171-F173 WeakPolarHBondContact O-CD2 3.36Å; E171-F173 WeakPolarHBondContact O-CE2 3.38Å; F173-G182 PolarHBondContact O-N 3.34Å; F173-T223 HydrophobicContact CD1-CG2 4.13Å; F173-M228 HydrophobicContact CD1-CE 4.23Å; F173-M228 HydrophobicContact CD1-SD 3.86Å; F173-M228 HydrophobicContact CD2-CE 4.19Å; F173-M228 HydrophobicContact CE1-CE 3.8Å; F173-M228 HydrophobicContact CE1-SD 3.16Å; F173-M228 WeakPolarHBondContact CE1-SD 3.47Å; F173-M228 HydrophobicContact CE2-CE 3.73Å; F173-M228 HydrophobicContact CE2-SD 4.18Å; F173-M228 HydrophobicContact CG-CE 4.42Å; F173-M228 HydrophobicContact CZ-CE 3.52Å; F173-M228 HydrophobicContact CZ-SD 3.35Å; F173-M228 WeakPolarHBondContact CZ-SD 3.45Å | ||
| 174 | K | 89.9 | Confident | 84.4 | Confident | 104 Ų | 104 | 76.6 Ų | 76.6 | 45% | 0.452 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -83.5 | 141.2 | -178.3 | -74.5 | 172.7 | -171.4 | 174 | 0 | 109.8 | T172 V176 N179 R180 | T172-K174 WeakPolarHBondContact O-CG 3.46Å; T172-K174 PolarHBondContact O-N 3.22Å; K174-V176 PolarHBondContact O-N 2.97Å; K174-N179 WeakPolarHBondContact CG-O 3.2Å; K174-R180 CarbonylContact C-O 3.53Å; K174-R180 WeakPolarHBondContact CA-O 3.42Å |
| 175 | C | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -58.7 | 121.3 | 169.9 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | S177 C178 N179 R180 C192 C194 H197 | C175-S177 PolarHBondContact O-N 2.74Å; C175-S177 PolarHBondContact SG-N 2.91Å; C175-C178 PolarHBondContact O-N 3.43Å; C175-N179 WeakPolarHBondContact O-CA 3.37Å; C175-N179 PolarHBondContact O-N 3.26Å; C175-R180 VanDerWaalsContact CB-O 3.29Å; C175-R180 WeakPolarHBondContact CB-O 3.38Å; C175-R180 PolarHBondContact N-O 2.89Å; C175-C192 VanDerWaalsContact CA-O 3.31Å; C175-C192 WeakPolarHBondContact CA-O 3.43Å; C175-C194 HydrophobicContact CB-CB 4.12Å; C175-C194 PolarHBondContact SG-N 3.41Å; C175-H197 PolarHBondContact SG-ND1 3.37Å; C175-H197 VanDerWaalsContact SG-ND1 3.4Å |
| 176 | V | 89.1 | Confident | 84.5 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.9 | -179.3 | 176.7 | 0 | 0 | 0 | 0 | 112.9 | K174 A191 C192 F193 | K174-V176 PolarHBondContact O-N 2.97Å; V176-A191 HydrophobicContact CG2-CB 3.88Å; V176-C192 PolarHBondContact N-O 3.13Å; V176-F193 HydrophobicContact CB-CE1 4.11Å |
| 177 | S | 88.6 | Confident | 84.7 | Confident | 67 Ų | 67 | 70 Ų | 70 | 47% | 0.469 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -30 | -175.6 | -53 | 0 | 0 | 0 | 0 | 114.6 | C175 H197 | C175-S177 PolarHBondContact O-N 2.74Å; C175-S177 PolarHBondContact SG-N 2.91Å; S177-H197 VanDerWaalsContact CB-CD2 3.44Å; S177-H197 WeakPolarHBondContact CB-CD2 3.43Å; S177-H197 VanDerWaalsContact CB-CG 3.45Å |
| 178 | C | 90.6 | Very high | 85 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 6.6 | -175.3 | 65.6 | 0 | 0 | 0 | 0 | 115.6 | C175 R180 C194 H197 | C175-C178 PolarHBondContact O-N 3.43Å; C178-R180 PolarHBondContact O-N 3.3Å; C178-C194 VanDerWaalsContact SG-SG 3.69Å; C178-H197 WeakPolarHBondContact CB-CE1 3.48Å; C178-H197 PolarHBondContact SG-CE1 2.82Å; C178-H197 PolarHBondContact SG-ND1 3.16Å; C178-H197 VanDerWaalsContact SG-ND1 3.41Å |
| 179 | N | 89.1 | Confident | 85.5 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 57.7 | 8.3 | 179 | -67.8 | -35.2 | 0 | 0 | 0 | 116.3 | K174 C175 | K174-N179 WeakPolarHBondContact CG-O 3.2Å; C175-N179 WeakPolarHBondContact O-CA 3.37Å; C175-N179 PolarHBondContact O-N 3.26Å |
| 180 | R | 89.6 | Confident | 86.6 | Confident | 170 Ų | 170 | 67.2 Ų | 67.2 | 64% | 0.642 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -75.1 | 167.8 | 166.5 | -63.6 | -177.1 | -179.9 | 167.4 | -0.9 | 110.4 | K174 C175 C178 G182 | K174-R180 CarbonylContact C-O 3.53Å; K174-R180 WeakPolarHBondContact CA-O 3.42Å; C175-R180 VanDerWaalsContact CB-O 3.29Å; C175-R180 WeakPolarHBondContact CB-O 3.38Å; C175-R180 PolarHBondContact N-O 2.89Å; C178-R180 PolarHBondContact O-N 3.3Å; R180-G182 PolarHBondContact O-N 3.09Å |
| 181 | L | 89.2 | Confident | 87.6 | Confident | 136 Ų | 136 | 65.8 Ų | 65.8 | 71% | 0.712 | 33% | 0.331 | S | S | * | . | B | Isolated β-bridge | trans | -58.1 | 131.8 | 175.4 | -70.6 | 169.7 | 0 | 0 | 0 | 111.7 | ||
| 182 | G | 88.7 | Confident | 88.7 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 128.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | F173 R180 F193 | F173-G182 PolarHBondContact O-N 3.34Å; R180-G182 PolarHBondContact O-N 3.09Å; G182-F193 CarbonylContact C-O 3.49Å; G182-F193 VanDerWaalsContact CA-O 3.28Å; G182-F193 WeakPolarHBondContact CA-O 3.31Å |
| 183 | Q | 89.1 | Confident | 89.5 | Confident | 114 Ų | 114 | 53.5 Ų | 53.5 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -93.7 | -29 | 176.6 | -63.5 | -173.3 | 9.3 | 0 | 0 | 111.3 | F193 D195 T223 | Q183-F193 PolarHBondContact N-O 2.97Å; Q183-D195 VanDerWaalsContact OE1-CG 3.3Å; Q183-D195 PolarHBondContact OE1-OD1 3Å; Q183-T223 WeakPolarHBondContact O-CB 3.37Å; Q183-T223 PolarHBondContact O-N 3.13Å; Q183-T223 PolarHBondContact O-OG1 3.4Å |
| 184 | H | 90.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.06 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.9 | -178.9 | -72.1 | -71.3 | 0 | 0 | 0 | 111 | C192 F193 D195 V198 Q221 | H184-C192 CarbonylContact O-C 3.55Å; H184-C192 WeakPolarHBondContact O-CA 3.29Å; H184-F193 PolarHBondContact N-O 3.44Å; H184-F193 PolarHBondContact O-N 3.24Å; H184-D195 IonicContact CD2-OD1 3.75Å; H184-D195 PolarHBondContact CD2-OD1 3.32Å; H184-D195 VanDerWaalsContact CD2-OD1 3.22Å; H184-D195 IonicContact NE2-OD1 3.87Å; H184-D195 PolarHBondContact NE2-OD1 3.03Å; H184-V198 HydrophobicContact CB-CG2 3.83Å; H184-Q221 WeakPolarHBondContact CA-O 3.21Å |
| 185 | S | 90.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134 | -177.7 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | L168 A191 C192 T220 Q221 T223 | L168-S185 VanDerWaalsContact CD1-OG 3.28Å; L168-S185 WeakPolarHBondContact CD1-OG 3.32Å; S185-A191 WeakPolarHBondContact CA-O 3.45Å; S185-C192 PolarHBondContact OG-SG 3.17Å; S185-T220 CarbonylContact O-C 3.45Å; S185-T220 WeakPolarHBondContact O-CA 3.29Å; S185-T220 WeakPolarHBondContact O-CB 3.33Å; S185-Q221 PolarHBondContact N-O 2.88Å; S185-Q221 PolarHBondContact O-N 3.29Å; S185-T223 WeakPolarHBondContact OG-CG2 3.29Å; S185-T223 PolarHBondContact OG-OG1 3.35Å |
| 186 | C | 90.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 112.3 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | R188 C189 K190 A191 F193 C213 T220 | C186-R188 PolarHBondContact O-N 3.32Å; C186-C189 HydrophobicContact CB-CB 4.23Å; C186-C189 PolarHBondContact O-N 3.38Å; C186-C189 PolarHBondContact SG-N 3.2Å; C186-K190 VanDerWaalsContact O-CA 3.31Å; C186-K190 WeakPolarHBondContact O-CA 3.26Å; C186-K190 PolarHBondContact O-N 2.9Å; C186-A191 PolarHBondContact N-O 3.46Å; C186-A191 PolarHBondContact O-N 3.24Å; C186-F193 HydrophobicContact CB-CE2 4.36Å; C186-C213 HydrophobicContact CB-CB 3.88Å; C186-C213 VanDerWaalsContact SG-CB 3.57Å; C186-T220 HydrophobicContact CB-CG2 4.22Å |
| 187 | L | 89.9 | Confident | 89.5 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.1 | 178.7 | -62.6 | -179.9 | 0 | 0 | 0 | 113.5 | F148 C149 L168 K190 L226 | F148-L187 HydrophobicContact CB-CD1 3.75Å; F148-L187 HydrophobicContact CG-CD1 4.41Å; C149-L187 WeakPolarHBondContact CB-O 3.03Å; L168-L187 HydrophobicContact CD2-CD2 4.22Å; L187-K190 WeakPolarHBondContact O-CD 3.33Å; L187-L226 HydrophobicContact CD1-CD2 4.1Å; L187-L226 HydrophobicContact CD2-CD1 4.03Å; L187-L226 HydrophobicContact CD2-CD2 4Å; L187-L226 HydrophobicContact CG-CD2 4.46Å |
| 188 | R | 89.9 | Confident | 89.4 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -37.7 | 174.8 | -167.7 | 174.7 | -173.2 | -178.6 | -1.1 | 114 | C149 N151 C186 H218 | C149-R188 HydrophobicContact CB-CB 4.2Å; C149-R188 VanDerWaalsContact O-CD 3.27Å; C149-R188 WeakPolarHBondContact O-CD 3.43Å; C149-R188 VanDerWaalsContact O-CG 3.31Å; C149-R188 WeakPolarHBondContact O-CG 3.14Å; N151-R188 PolarHBondContact OD1-NE 3.2Å; C186-R188 PolarHBondContact O-N 3.32Å; R188-H218 HydrophobicContact CB-CB 4.1Å |
| 189 | C | 89.4 | Confident | 89 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -5.6 | 176.3 | -68 | 0 | 0 | 0 | 0 | 113.2 | C186 A191 C216 | C186-C189 HydrophobicContact CB-CB 4.23Å; C186-C189 PolarHBondContact O-N 3.38Å; C186-C189 PolarHBondContact SG-N 3.2Å; C189-A191 HydrophobicContact CB-CB 4.04Å; C189-A191 PolarHBondContact O-N 3.07Å; C189-C216 PolarHBondContact SG-SG 3.12Å |
| 190 | K | 89.2 | Confident | 88.1 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 24% | 0.235 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 44.2 | -171.4 | -60 | -65.5 | -166.7 | 154.2 | 0 | 112.4 | C165 V167 L168 C186 L187 | C165-K190 VanDerWaalsContact C-NZ 3.3Å; C165-K190 PolarHBondContact O-NZ 3.04Å; V167-K190 PolarHBondContact O-NZ 3.29Å; L168-K190 HydrophobicContact CD2-CD 4.49Å; C186-K190 VanDerWaalsContact O-CA 3.31Å; C186-K190 WeakPolarHBondContact O-CA 3.26Å; C186-K190 PolarHBondContact O-N 2.9Å; L187-K190 WeakPolarHBondContact O-CD 3.33Å |
| 191 | A | 89.1 | Confident | 86.7 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V176 S185 C186 C189 F193 | V176-A191 HydrophobicContact CG2-CB 3.88Å; S185-A191 WeakPolarHBondContact CA-O 3.45Å; C186-A191 PolarHBondContact N-O 3.46Å; C186-A191 PolarHBondContact O-N 3.24Å; C189-A191 HydrophobicContact CB-CB 4.04Å; C189-A191 PolarHBondContact O-N 3.07Å; A191-F193 HydrophobicContact CB-CE2 4Å; A191-F193 HydrophobicContact CB-CZ 4.11Å |
| 192 | C | 90.6 | Very high | 85.6 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 152 | 176.7 | -52 | 0 | 0 | 0 | 0 | 111.8 | C175 V176 H184 S185 | C175-C192 VanDerWaalsContact CA-O 3.31Å; C175-C192 WeakPolarHBondContact CA-O 3.43Å; V176-C192 PolarHBondContact N-O 3.13Å; H184-C192 CarbonylContact O-C 3.55Å; H184-C192 WeakPolarHBondContact O-CA 3.29Å; S185-C192 PolarHBondContact OG-SG 3.17Å |
| 193 | F | 90.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 147.1 | 179.9 | -59.3 | -81.7 | 0 | 0 | 0 | 111 | V176 G182 Q183 H184 C186 A191 V198 P214 K215 | V176-F193 HydrophobicContact CB-CE1 4.11Å; G182-F193 CarbonylContact C-O 3.49Å; G182-F193 VanDerWaalsContact CA-O 3.28Å; G182-F193 WeakPolarHBondContact CA-O 3.31Å; Q183-F193 PolarHBondContact N-O 2.97Å; H184-F193 PolarHBondContact N-O 3.44Å; H184-F193 PolarHBondContact O-N 3.24Å; C186-F193 HydrophobicContact CB-CE2 4.36Å; A191-F193 HydrophobicContact CB-CE2 4Å; A191-F193 HydrophobicContact CB-CZ 4.11Å; F193-V198 HydrophobicContact CB-CG2 3.14Å; F193-V198 HydrophobicContact CD2-CG2 4.41Å; F193-V198 HydrophobicContact CG-CG2 4Å; F193-P214 HydrophobicContact CD1-CG 3.66Å; F193-P214 HydrophobicContact CD2-CG 4.26Å; F193-P214 HydrophobicContact CE1-CG 3.58Å; F193-P214 HydrophobicContact CE2-CG 4.18Å; F193-P214 HydrophobicContact CG-CG 4.02Å; F193-P214 HydrophobicContact CZ-CG 3.85Å; F193-K215 HydrophobicContact CZ-CD 4.13Å; F193-K215 HydrophobicContact CZ-CG 4.01Å |
| 194 | C | 90.9 | Very high | 83.7 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | trans | -83.6 | 161.6 | 172.4 | 70.6 | 0 | 0 | 0 | 0 | 111 | C175 C178 D196 H197 V198 | C175-C194 HydrophobicContact CB-CB 4.12Å; C175-C194 PolarHBondContact SG-N 3.41Å; C178-C194 VanDerWaalsContact SG-SG 3.69Å; C194-D196 VanDerWaalsContact C-N 3.25Å; C194-D196 PolarHBondContact O-N 2.94Å; C194-H197 PolarHBondContact O-N 2.99Å; C194-H197 PolarHBondContact SG-ND1 2.82Å; C194-V198 PolarHBondContact O-N 2.87Å; C194-V198 VanDerWaalsContact O-N 3.08Å | ||
| 195 | D | 88.4 | Confident | 82.7 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 23% | 0.225 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -49.3 | -44.6 | -179.4 | -85.9 | 25.5 | 0 | 0 | 0 | 113.8 | Q183 H184 H197 V198 R199 | Q183-D195 VanDerWaalsContact OE1-CG 3.3Å; Q183-D195 PolarHBondContact OE1-OD1 3Å; H184-D195 IonicContact CD2-OD1 3.75Å; H184-D195 PolarHBondContact CD2-OD1 3.32Å; H184-D195 VanDerWaalsContact CD2-OD1 3.22Å; H184-D195 IonicContact NE2-OD1 3.87Å; H184-D195 PolarHBondContact NE2-OD1 3.03Å; D195-H197 VanDerWaalsContact C-N 3.32Å; D195-H197 PolarHBondContact O-N 2.95Å; D195-V198 PolarHBondContact O-N 2.79Å; D195-R199 VanDerWaalsContact O-CB 3.29Å; D195-R199 WeakPolarHBondContact O-CB 3.39Å; D195-R199 WeakPolarHBondContact O-CD 3.23Å; D195-R199 WeakPolarHBondContact O-CG 3.47Å; D195-R199 PolarHBondContact O-N 3.17Å; D195-R199 IonicContact OD2-NE 2.65Å; D195-R199 IonicContact OD2-NH2 3.75Å |
| 196 | D | 87.4 | Confident | 81.7 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59 | -44.1 | 178.7 | -63.1 | -23.6 | 0 | 0 | 0 | 111.5 | C194 S200 | C194-D196 VanDerWaalsContact C-N 3.25Å; C194-D196 PolarHBondContact O-N 2.94Å; D196-S200 WeakPolarHBondContact O-CB 3.42Å; D196-S200 PolarHBondContact O-N 3.24Å; D196-S200 PolarHBondContact O-OG 3.2Å; D196-S200 VanDerWaalsContact O-OG 3.08Å |
| 197 | H | 88.6 | Confident | 80.8 | Confident | 50 Ų | 50 | 79 Ų | 79 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -77.3 | -26.4 | -176.1 | -76.4 | 113.4 | 0 | 0 | 0 | 114.1 | C175 S177 C178 C194 D195 S200 | C175-H197 PolarHBondContact SG-ND1 3.37Å; C175-H197 VanDerWaalsContact SG-ND1 3.4Å; S177-H197 VanDerWaalsContact CB-CD2 3.44Å; S177-H197 WeakPolarHBondContact CB-CD2 3.43Å; S177-H197 VanDerWaalsContact CB-CG 3.45Å; C178-H197 WeakPolarHBondContact CB-CE1 3.48Å; C178-H197 PolarHBondContact SG-CE1 2.82Å; C178-H197 PolarHBondContact SG-ND1 3.16Å; C178-H197 VanDerWaalsContact SG-ND1 3.41Å; C194-H197 PolarHBondContact O-N 2.99Å; C194-H197 PolarHBondContact SG-ND1 2.82Å; D195-H197 VanDerWaalsContact C-N 3.32Å; D195-H197 PolarHBondContact O-N 2.95Å; H197-S200 WeakPolarHBondContact CA-OG 3.18Å; H197-S200 PolarHBondContact O-OG 3.22Å |
| 198 | V | 86.3 | Confident | 79.9 | Confident | 7 Ų | 7 | 83 Ų | 83 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -82.7 | -28 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | H184 F193 C194 D195 Q205 P211 T220 | H184-V198 HydrophobicContact CB-CG2 3.83Å; F193-V198 HydrophobicContact CB-CG2 3.14Å; F193-V198 HydrophobicContact CD2-CG2 4.41Å; F193-V198 HydrophobicContact CG-CG2 4Å; C194-V198 PolarHBondContact O-N 2.87Å; C194-V198 VanDerWaalsContact O-N 3.08Å; D195-V198 PolarHBondContact O-N 2.79Å; V198-Q205 PolarHBondContact O-NE2 3.07Å; V198-P211 HydrophobicContact CB-CG 4.37Å; V198-P211 HydrophobicContact CG1-CB 3.55Å; V198-P211 HydrophobicContact CG1-CG 3.4Å; V198-P211 VanDerWaalsContact CG1-CG 3.4Å; V198-T220 HydrophobicContact CG1-CG2 4.45Å |
| 199 | R | 81.5 | Confident | 79.3 | Confident | 147 Ų | 147 | 84 Ų | 84 | 56% | 0.555 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -82.7 | -26.5 | 172.6 | -64.2 | 170.2 | -170.3 | -86.5 | 2.7 | 112.6 | D195 K201 | D195-R199 VanDerWaalsContact O-CB 3.29Å; D195-R199 WeakPolarHBondContact O-CB 3.39Å; D195-R199 WeakPolarHBondContact O-CD 3.23Å; D195-R199 WeakPolarHBondContact O-CG 3.47Å; D195-R199 PolarHBondContact O-N 3.17Å; D195-R199 IonicContact OD2-NE 2.65Å; D195-R199 IonicContact OD2-NH2 3.75Å; R199-K201 PolarHBondContact O-N 3.4Å; R199-K201 VanDerWaalsContact O-N 3.09Å |
| 200 | S | 69.9 | Low | 78.9 | Confident | 51 Ų | 51 | 84.6 Ų | 84.6 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -80.1 | 94.3 | 179.1 | 72.2 | 0 | 0 | 0 | 0 | 111.8 | D196 H197 | D196-S200 WeakPolarHBondContact O-CB 3.42Å; D196-S200 PolarHBondContact O-N 3.24Å; D196-S200 PolarHBondContact O-OG 3.2Å; D196-S200 VanDerWaalsContact O-OG 3.08Å; H197-S200 WeakPolarHBondContact CA-OG 3.18Å; H197-S200 PolarHBondContact O-OG 3.22Å |
| 201 | K | 61.2 | Low | 78.8 | Confident | 187 Ų | 187 | 82.6 Ų | 82.6 | 81% | 0.813 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 68.4 | 106 | 143.7 | -58.8 | 170.5 | 179.7 | 174.5 | 0 | 116.4 | R199 | R199-K201 PolarHBondContact O-N 3.4Å; R199-K201 VanDerWaalsContact O-N 3.09Å |
| 202 | V | 64.9 | Low | 78.8 | Confident | 118 Ų | 118 | 83.1 Ų | 83.1 | 72% | 0.715 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 172.2 | -35 | 134.4 | 158.6 | 0 | 0 | 0 | 0 | 108.2 | ||
| 203 | F | 67.1 | Low | 78.7 | Confident | 94 Ų | 94 | 83 Ų | 83 | 41% | 0.412 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -109.6 | 143.2 | -178.3 | -62.2 | -77.8 | 0 | 0 | 0 | 112.1 | Q205 P212 G217 | F203-Q205 PolarHBondContact O-N 2.8Å; F203-P212 HydrophobicContact CB-CB 4.01Å; F203-P212 HydrophobicContact CB-CG 3.45Å; F203-P212 VanDerWaalsContact CB-CG 3.45Å; F203-P212 HydrophobicContact CG-CB 4.48Å; F203-P212 HydrophobicContact CG-CG 4.38Å; F203-G217 VanDerWaalsContact CE2-CA 3.44Å |
| 204 | K | 70.3 | Confident | 78.6 | Confident | 204 Ų | 204 | 84.7 Ų | 84.7 | 89% | 0.887 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 116 | 179.9 | -169 | 178.2 | -178.1 | -175 | 0 | 108.8 | ||
| 205 | Q | 69.7 | Low | 78.4 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 36% | 0.36 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 126.8 | 173.8 | -74.5 | 177.2 | 1 | 0 | 0 | 110.1 | V198 F203 P211 P212 | V198-Q205 PolarHBondContact O-NE2 3.07Å; F203-Q205 PolarHBondContact O-N 2.8Å; Q205-P211 HydrophobicContact CG-CB 4.2Å; Q205-P212 HydrophobicContact CG-CG 4.37Å |
| 206 | E | 70.5 | Confident | 78.4 | Confident | 121 Ų | 121 | 90.3 Ų | 90.3 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 134.1 | 167.7 | -65 | -169.4 | 156.2 | 0 | 0 | 108.7 | G208 K209 | E206-G208 PolarHBondContact O-N 3.03Å; E206-K209 HydrophobicContact CB-CD 4.32Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 WeakPolarHBondContact OE2-CD 3.19Å; E206-K209 WeakPolarHBondContact OE2-CE 3.45Å; E206-K209 IonicContact OE2-NZ 3.32Å; E206-K209 PolarHBondContact OE2-NZ 2.72Å |
| 207 | K | 70.3 | Confident | 78.3 | Confident | 220 Ų | 220 | 86.6 Ų | 86.6 | 96% | 0.957 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 123.9 | 178.8 | -70.2 | -176.1 | 177.8 | -176.4 | 0 | 109.1 | ||
| 208 | G | 71.6 | Confident | 78.2 | Confident | 88 Ų | 88 | 85.3 Ų | 85.3 | 91% | 0.907 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -3.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E206 | E206-G208 PolarHBondContact O-N 3.03Š|
| 209 | K | 76.8 | Confident | 78.3 | Confident | 132 Ų | 132 | 89.6 Ų | 89.6 | 57% | 0.574 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -103.4 | 156.2 | 171.4 | -67.8 | -175.2 | -179.4 | 167.9 | 0 | 111.2 | E206 | E206-K209 HydrophobicContact CB-CD 4.32Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 WeakPolarHBondContact OE2-CD 3.19Å; E206-K209 WeakPolarHBondContact OE2-CE 3.45Å; E206-K209 IonicContact OE2-NZ 3.32Å; E206-K209 PolarHBondContact OE2-NZ 2.72Å |
| 210 | E | 81.7 | Confident | 78.7 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 27% | 0.271 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 145.4 | 173.6 | -65.3 | -168.1 | 120.9 | 0 | 0 | 109.8 | E219 T220 Q221 Q222 | E210-E219 HydrophobicContact CB-CG 4.04Å; E210-T220 WeakPolarHBondContact CB-O 3.42Å; E210-Q221 WeakPolarHBondContact OE2-CA 3.09Å; E210-Q222 PolarHBondContact OE1-N 3.29Å |
| 211 | P | 87.2 | Confident | 79.6 | Confident | 12 Ų | 12 | 83 Ų | 83 | 8% | 0.078 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 149.1 | -171.8 | 34.1 | -40 | 0 | 0 | 0 | 111 | V198 Q205 T220 | V198-P211 HydrophobicContact CB-CG 4.37Å; V198-P211 HydrophobicContact CG1-CB 3.55Å; V198-P211 HydrophobicContact CG1-CG 3.4Å; V198-P211 VanDerWaalsContact CG1-CG 3.4Å; Q205-P211 HydrophobicContact CG-CB 4.2Å; P211-T220 PolarHBondContact O-N 3.28Å; P211-T220 PolarHBondContact O-OG1 2.7Å |
| 212 | P | 88.8 | Confident | 80.9 | Confident | 20 Ų | 20 | 77.2 Ų | 77.2 | 13% | 0.13 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 149.2 | -175.9 | 31.6 | -35.2 | 0 | 0 | 0 | 111.7 | F203 Q205 | F203-P212 HydrophobicContact CB-CB 4.01Å; F203-P212 HydrophobicContact CB-CG 3.45Å; F203-P212 VanDerWaalsContact CB-CG 3.45Å; F203-P212 HydrophobicContact CG-CB 4.48Å; F203-P212 HydrophobicContact CG-CG 4.38Å; Q205-P212 HydrophobicContact CG-CG 4.37Å |
| 213 | C | 88.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 129.7 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | C186 K215 C216 G217 H218 T220 | C186-C213 HydrophobicContact CB-CB 3.88Å; C186-C213 VanDerWaalsContact SG-CB 3.57Å; C213-K215 PolarHBondContact O-N 3.43Å; C213-K215 PolarHBondContact SG-N 2.96Å; C213-C216 VanDerWaalsContact SG-SG 3.62Å; C213-G217 VanDerWaalsContact O-CA 3.25Å; C213-G217 WeakPolarHBondContact O-CA 3.45Å; C213-G217 PolarHBondContact O-N 2.98Å; C213-H218 VanDerWaalsContact CB-O 3.26Å; C213-H218 WeakPolarHBondContact CB-O 3.46Å; C213-H218 PolarHBondContact N-O 3.25Å; C213-T220 HydrophobicContact CB-CG2 3.81Å |
| 214 | P | 88.3 | Confident | 82.5 | Confident | 36 Ų | 36 | 74.9 Ų | 74.9 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.4 | -179.1 | 26.3 | -34.6 | 0 | 0 | 0 | 113.2 | F193 | F193-P214 HydrophobicContact CD1-CG 3.66Å; F193-P214 HydrophobicContact CD2-CG 4.26Å; F193-P214 HydrophobicContact CE1-CG 3.58Å; F193-P214 HydrophobicContact CE2-CG 4.18Å; F193-P214 HydrophobicContact CG-CG 4.02Å; F193-P214 HydrophobicContact CZ-CG 3.85Å |
| 215 | K | 87.5 | Confident | 83 | Confident | 129 Ų | 129 | 70 Ų | 70 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -51.2 | 177.6 | -72.4 | -171.5 | 177.8 | -171.6 | 0 | 113.2 | F193 C213 | F193-K215 HydrophobicContact CZ-CD 4.13Å; F193-K215 HydrophobicContact CZ-CG 4.01Å; C213-K215 PolarHBondContact O-N 3.43Å; C213-K215 PolarHBondContact SG-N 2.96Å |
| 216 | C | 87.3 | Confident | 83.3 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -7.6 | -169.3 | 69 | 0 | 0 | 0 | 0 | 114.6 | C189 C213 H218 | C189-C216 PolarHBondContact SG-SG 3.12Å; C213-C216 VanDerWaalsContact SG-SG 3.62Å; C216-H218 PolarHBondContact O-N 2.61Å; C216-H218 WeakPolarHBondContact SG-CB 3.42Å |
| 217 | G | 85.1 | Confident | 82.9 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 26% | 0.258 | 35% | 0.353 | S | S | . | . | trans | 73.7 | 1.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F203 C213 | F203-G217 VanDerWaalsContact CE2-CA 3.44Å; C213-G217 VanDerWaalsContact O-CA 3.25Å; C213-G217 WeakPolarHBondContact O-CA 3.45Å; C213-G217 PolarHBondContact O-N 2.98Å | ||
| 218 | H | 87.1 | Confident | 82.3 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 147.2 | 174.7 | -172.3 | 54.7 | 0 | 0 | 0 | 111.2 | F148 H150 R188 C213 C216 T220 | F148-H218 PolarHBondContact O-NE2 2.9Å; H150-H218 AromaticContact CD2-CE1 3.15Å; H150-H218 PolarHBondContact CD2-CE1 2.89Å; H150-H218 AromaticContact CD2-ND1 3.62Å; H150-H218 AromaticContact CG-CE1 3.93Å; H150-H218 AromaticContact NE2-CE1 3.66Å; R188-H218 HydrophobicContact CB-CB 4.1Å; C213-H218 VanDerWaalsContact CB-O 3.26Å; C213-H218 WeakPolarHBondContact CB-O 3.46Å; C213-H218 PolarHBondContact N-O 3.25Å; C216-H218 PolarHBondContact O-N 2.61Å; C216-H218 WeakPolarHBondContact SG-CB 3.42Å; H218-T220 PolarHBondContact O-N 3.48Å |
| 219 | E | 88.6 | Confident | 81.3 | Confident | 97 Ų | 97 | 59.7 Ų | 59.7 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -57.7 | 128.2 | 177.2 | -171.7 | 164.1 | -152.4 | 0 | 0 | 110.1 | E210 | E210-E219 HydrophobicContact CB-CG 4.04Å |
| 220 | T | 89.8 | Confident | 80 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 144.7 | 175.6 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | S185 C186 V198 E210 P211 C213 H218 | S185-T220 CarbonylContact O-C 3.45Å; S185-T220 WeakPolarHBondContact O-CA 3.29Å; S185-T220 WeakPolarHBondContact O-CB 3.33Å; C186-T220 HydrophobicContact CB-CG2 4.22Å; V198-T220 HydrophobicContact CG1-CG2 4.45Å; E210-T220 WeakPolarHBondContact CB-O 3.42Å; P211-T220 PolarHBondContact O-N 3.28Å; P211-T220 PolarHBondContact O-OG1 2.7Å; C213-T220 HydrophobicContact CB-CG2 3.81Å; H218-T220 PolarHBondContact O-N 3.48Å |
| 221 | Q | 89.1 | Confident | 78.6 | Confident | 60 Ų | 60 | 66 Ų | 66 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 151.8 | 173.6 | -65.8 | 178.2 | 14 | 0 | 0 | 110.8 | H184 S185 E210 T223 L226 | H184-Q221 WeakPolarHBondContact CA-O 3.21Å; S185-Q221 PolarHBondContact N-O 2.88Å; S185-Q221 PolarHBondContact O-N 3.29Å; E210-Q221 WeakPolarHBondContact OE2-CA 3.09Å; Q221-T223 PolarHBondContact O-N 3.18Å; Q221-L226 HydrophobicContact CB-CD2 4.45Å; Q221-L226 VanDerWaalsContact OE1-CD2 3.24Å |
| 222 | Q | 88.4 | Confident | 76.9 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 128.5 | 170.1 | -83.2 | 172.1 | 77.3 | 0 | 0 | 110.9 | E210 K224 D225 | E210-Q222 PolarHBondContact OE1-N 3.29Å; Q222-K224 HydrophobicContact CB-CG 4.2Å; Q222-K224 PolarHBondContact O-N 3.24Å; Q222-D225 HydrophobicContact CB-CB 4.31Å; Q222-D225 VanDerWaalsContact CB-OD2 3.29Å; Q222-D225 WeakPolarHBondContact CB-OD2 3.48Å; Q222-D225 PolarHBondContact O-N 3.19Å |
| 223 | T | 84.4 | Confident | 75.2 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.055 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.7 | -173.2 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | L168 F173 Q183 S185 Q221 D225 M228 | L168-T223 HydrophobicContact CD1-CG2 4.36Å; F173-T223 HydrophobicContact CD1-CG2 4.13Å; Q183-T223 WeakPolarHBondContact O-CB 3.37Å; Q183-T223 PolarHBondContact O-N 3.13Å; Q183-T223 PolarHBondContact O-OG1 3.4Å; S185-T223 WeakPolarHBondContact OG-CG2 3.29Å; S185-T223 PolarHBondContact OG-OG1 3.35Å; Q221-T223 PolarHBondContact O-N 3.18Å; T223-D225 VanDerWaalsContact C-N 3.32Å; T223-M228 HydrophobicContact CG2-SD 4.2Å |
| 224 | K | 81.7 | Confident | 73.1 | Confident | 153 Ų | 153 | 85 Ų | 85 | 67% | 0.665 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.2 | 175 | 57.3 | 161.8 | -168.2 | -167.1 | 0 | 114 | Q222 | Q222-K224 HydrophobicContact CB-CG 4.2Å; Q222-K224 PolarHBondContact O-N 3.24Å |
| 225 | D | 80.1 | Confident | 71.3 | Confident | 103 Ų | 103 | 92.3 Ų | 92.3 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -11.2 | -176 | -61.2 | -20.3 | 0 | 0 | 0 | 111 | Q222 T223 | Q222-D225 HydrophobicContact CB-CB 4.31Å; Q222-D225 VanDerWaalsContact CB-OD2 3.29Å; Q222-D225 WeakPolarHBondContact CB-OD2 3.48Å; Q222-D225 PolarHBondContact O-N 3.19Å; T223-D225 VanDerWaalsContact C-N 3.32Å |
| 226 | L | 76.9 | Confident | 69.2 | Low | 9 Ų | 9 | 88.6 Ų | 88.6 | 5% | 0.047 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -76.7 | 126.6 | 170.3 | -65.5 | 170.8 | 0 | 0 | 0 | 108.8 | L168 L187 Q221 M228 | L168-L226 HydrophobicContact CD1-CD1 3.8Å; L168-L226 HydrophobicContact CG-CD1 4.28Å; L187-L226 HydrophobicContact CD1-CD2 4.1Å; L187-L226 HydrophobicContact CD2-CD1 4.03Å; L187-L226 HydrophobicContact CD2-CD2 4Å; L187-L226 HydrophobicContact CG-CD2 4.46Å; Q221-L226 HydrophobicContact CB-CD2 4.45Å; Q221-L226 VanDerWaalsContact OE1-CD2 3.24Å; L226-M228 VanDerWaalsContact C-N 3.25Å; L226-M228 HydrophobicContact CB-CG 4.41Å; L226-M228 WeakPolarHBondContact O-CG 3.18Å; L226-M228 PolarHBondContact O-N 3.17Å |
| 227 | S | 60.9 | Low | 67.6 | Low | 100 Ų | 100 | 98 Ų | 98 | 70% | 0.699 | 50% | 0.503 | S | S | * | . | trans | -63.5 | 84.7 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 110.4 | S229 | S227-S229 VanDerWaalsContact C-N 3.33Å; S227-S229 PolarHBondContact O-N 3.36Å | ||
| 228 | M | 59 | Low | 66 | Low | 85 Ų | 85 | 105.9 Ų | 105.9 | 42% | 0.419 | 53% | 0.533 | S | S | . | . | trans | -80.3 | 82.5 | -179.8 | -53.9 | -146 | -58 | 0 | 0 | 109 | F173 T223 L226 T230 | F173-M228 HydrophobicContact CD1-CE 4.23Å; F173-M228 HydrophobicContact CD1-SD 3.86Å; F173-M228 HydrophobicContact CD2-CE 4.19Å; F173-M228 HydrophobicContact CE1-CE 3.8Å; F173-M228 HydrophobicContact CE1-SD 3.16Å; F173-M228 WeakPolarHBondContact CE1-SD 3.47Å; F173-M228 HydrophobicContact CE2-CE 3.73Å; F173-M228 HydrophobicContact CE2-SD 4.18Å; F173-M228 HydrophobicContact CG-CE 4.42Å; F173-M228 HydrophobicContact CZ-CE 3.52Å; F173-M228 HydrophobicContact CZ-SD 3.35Å; F173-M228 WeakPolarHBondContact CZ-SD 3.45Å; T223-M228 HydrophobicContact CG2-SD 4.2Å; L226-M228 VanDerWaalsContact C-N 3.25Å; L226-M228 HydrophobicContact CB-CG 4.41Å; L226-M228 WeakPolarHBondContact O-CG 3.18Å; L226-M228 PolarHBondContact O-N 3.17Å; M228-T230 PolarHBondContact O-N 3.48Å | ||
| 229 | S | 49.7 | Very low | 63.9 | Low | 94 Ų | 94 | 110.8 Ų | 110.8 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | trans | -72.3 | 97.7 | 168 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | S227 R231 | S227-S229 VanDerWaalsContact C-N 3.33Å; S227-S229 PolarHBondContact O-N 3.36Å; S229-R231 PolarHBondContact O-N 2.91Å; S229-R231 PolarHBondContact OG-O 3.4Å | ||
| 230 | T | 49.8 | Very low | 61.9 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 77% | 0.773 | 58% | 0.581 | S | S | * | * | trans | -72.4 | 1.2 | 169.5 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | M228 | M228-T230 PolarHBondContact O-N 3.48Š| ||
| 231 | R | 51.8 | Low | 59.3 | Low | 197 Ų | 197 | 115.7 Ų | 115.7 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | trans | -120.5 | 96.1 | 176.5 | -61.9 | -175.1 | -178.4 | -161.8 | -0 | 108.5 | S229 L233 | S229-R231 PolarHBondContact O-N 2.91Å; S229-R231 PolarHBondContact OG-O 3.4Å; R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 3.12Å | ||
| 232 | S | 52.3 | Low | 57.1 | Low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | trans | -66.3 | 93.3 | 164.3 | 59.5 | 0 | 0 | 0 | 0 | 108.1 | K234 | S232-K234 PolarHBondContact O-N 3.04Š| ||
| 233 | L | 51.7 | Low | 54.9 | Low | 129 Ų | 129 | 126.8 Ų | 126.8 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | trans | -73.2 | 85.5 | 164.7 | -68.1 | 169.6 | 0 | 0 | 0 | 106.6 | R231 F235 | R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 3.12Å; L233-F235 HydrophobicContact CB-CD2 4.05Å; L233-F235 HydrophobicContact CB-CE2 3.7Å; L233-F235 HydrophobicContact CB-CZ 4.26Å; L233-F235 HydrophobicContact CD1-CE2 4.15Å; L233-F235 HydrophobicContact CD1-CZ 4.12Å; L233-F235 WeakPolarHBondContact O-CD2 3.2Å; L233-F235 PolarHBondContact O-N 2.82Å | ||
| 234 | K | 45.6 | Very low | 52.6 | Low | 193 Ų | 193 | 130.3 Ų | 130.3 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | trans | -62.9 | 97.6 | 158.7 | -88.1 | -178.6 | 175.5 | 171.9 | 0 | 105.4 | S232 G236 | S232-K234 PolarHBondContact O-N 3.04Å; K234-G236 PolarHBondContact O-N 3.45Å | ||
| 235 | F | 50 | Low | 50.6 | Low | 189 Ų | 189 | 130.7 Ų | 130.7 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | -69.7 | 68.1 | 164.4 | -72.9 | -84.3 | 0 | 0 | 0 | 108.2 | L233 | L233-F235 HydrophobicContact CB-CD2 4.05Å; L233-F235 HydrophobicContact CB-CE2 3.7Å; L233-F235 HydrophobicContact CB-CZ 4.26Å; L233-F235 HydrophobicContact CD1-CE2 4.15Å; L233-F235 HydrophobicContact CD1-CZ 4.12Å; L233-F235 WeakPolarHBondContact O-CD2 3.2Å; L233-F235 PolarHBondContact O-N 2.82Å | ||
| 236 | G | 42.8 | Very low | 48.7 | Very low | 52 Ų | 52 | 129.8 Ų | 129.8 | 54% | 0.536 | 73% | 0.728 | S | S | . | * | trans | -73.6 | 130 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | K234 Q238 | K234-G236 PolarHBondContact O-N 3.45Å; G236-Q238 PolarHBondContact O-N 2.82Å | ||
| 237 | R | 55.4 | Low | 47 | Very low | 240 Ų | 240 | 134.1 Ų | 134.1 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | -54.9 | 99.9 | 157.8 | -78.6 | 177.2 | 177.7 | -108.8 | 0.9 | 105.7 | T239 | R237-T239 PolarHBondContact O-N 3.07Š| ||
| 238 | Q | 50.4 | Low | 46.7 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 88.3 | 166 | -71.2 | -177.3 | -23.5 | 0 | 0 | 105.4 | G236 G240 | G236-Q238 PolarHBondContact O-N 2.82Å; Q238-G240 PolarHBondContact O-N 3.3Å | ||
| 239 | T | 44.1 | Very low | 46 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -59.5 | 118.8 | 155.5 | 47.4 | 0 | 0 | 0 | 0 | 105.4 | R237 S241 | R237-T239 PolarHBondContact O-N 3.07Å; T239-S241 PolarHBondContact O-N 3.47Å | ||
| 240 | G | 46.1 | Very low | 46 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -47.8 | 123.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q238 | Q238-G240 PolarHBondContact O-N 3.3Š| ||
| 241 | S | 35 | Very low | 45.9 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -107.2 | 120.2 | 153.2 | -172.3 | 0 | 0 | 0 | 0 | 105.4 | T239 | T239-S241 PolarHBondContact O-N 3.47Š| ||
| 242 | E | 42.2 | Very low | 45.9 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -63.9 | 160 | -179.8 | -60.7 | 163.6 | 179.7 | 0 | 0 | 110.5 | ||||
| 243 | E | 43.1 | Very low | 45.8 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 80.8 | 85.5 | 168 | -50.3 | -164.9 | 163.3 | 0 | 0 | 117.7 | ||||
| 244 | A | 36.3 | Very low | 45.9 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 170.9 | 106.3 | 118.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 245 | D | 40.1 | Very low | 46.1 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | 68.7 | 87.5 | 132.7 | -40.8 | -19.3 | 0 | 0 | 0 | 119.2 | ||||
| 246 | G | 39.8 | Very low | 45.8 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | 97 | 83.8 | 126.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 247 | A | 41.2 | Very low | 46 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -162 | 103.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G249 | A247-G249 PolarHBondContact O-N 3.38Š| ||
| 248 | S | 53.9 | Low | 45.7 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -46.7 | 115.2 | 169.3 | 166.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 249 | G | 43.8 | Very low | 45.6 | Very low | 61 Ų | 61 | 127.4 Ų | 127.4 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | trans | -142.9 | 99.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A247 D251 | A247-G249 PolarHBondContact O-N 3.38Å; G249-D251 VanDerWaalsContact C-N 3.31Å; G249-D251 PolarHBondContact O-N 3.38Å | ||
| 250 | Y | 51.1 | Low | 45.3 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 66.6 | -25.6 | 154.3 | -150.1 | -103.2 | 0 | 0 | 0 | 120.7 | W254 | Y250-W254 AromaticContact CE1-NE1 3.91Š|
| 251 | D | 48.2 | Very low | 44.8 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -78.8 | -27.6 | -177.5 | -161.4 | 71.7 | 0 | 0 | 0 | 113.7 | G249 Y253 | G249-D251 VanDerWaalsContact C-N 3.31Å; G249-D251 PolarHBondContact O-N 3.38Å; D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.44Å |
| 252 | A | 50.3 | Low | 44.7 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 55% | 0.554 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -73.1 | -15.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | N256 | A252-N256 PolarHBondContact O-ND2 3.33Å |
| 253 | Y | 50.8 | Low | 44.1 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -77 | -39.7 | 178.9 | 179.4 | -107 | 0 | 0 | 0 | 111.7 | D251 N256 | D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.44Å; Y253-N256 PolarHBondContact O-N 3.14Å |
| 254 | W | 54.5 | Low | 43.4 | Very low | 175 Ų | 175 | 125.4 Ų | 125.4 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -72.9 | -29.8 | -178.4 | -81.7 | 85.2 | 0 | 0 | 0 | 113.3 | Y250 | Y250-W254 AromaticContact CE1-NE1 3.91Å |
| 255 | K | 48.1 | Very low | 43.2 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -17 | 178.2 | -110 | -179.3 | -178.9 | 170.6 | 0 | 115 | ||
| 256 | N | 44.3 | Very low | 42.7 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -12 | -179 | -87.6 | -60.1 | 0 | 0 | 0 | 114.2 | A252 Y253 | A252-N256 PolarHBondContact O-ND2 3.33Å; Y253-N256 PolarHBondContact O-N 3.14Å |
| 257 | L | 47.2 | Very low | 42.2 | Very low | 147 Ų | 147 | 123.5 Ų | 123.5 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -87.4 | -16.4 | 179.1 | -155.5 | 71.9 | 0 | 0 | 0 | 113.1 | ||
| 258 | S | 48.7 | Very low | 42.1 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -94.8 | 8.4 | -175.3 | -47.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 259 | T | 50.1 | Low | 41.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -148.2 | 69.7 | -175.9 | -40.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 260 | S | 37.6 | Very low | 40.7 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | 164.3 | 134.3 | 154.6 | -76.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 261 | K | 34.6 | Very low | 40 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | cis | -174.9 | 151 | -1.7 | 178.7 | 177.3 | 174.4 | -178.5 | 0 | 105.7 | ||||
| 262 | A | 33.4 | Very low | 39.4 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -53.9 | 145.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 263 | G | 29.8 | Very low | 38.9 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 106 | 104.9 | 137 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 264 | D | 28.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | 99.5 | 124.7 | 124.5 | -154.6 | 49.1 | 0 | 0 | 0 | 122.5 | |||||
| 265 | A | 30.6 | Very low | 38 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | 57.5 | 128.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 266 | G | 29.3 | Very low | 37.6 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 149.2 | 78.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 267 | D | 30.6 | Very low | 37.5 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | trans | 40.2 | 112.1 | 130.4 | -170.7 | 45.8 | 0 | 0 | 0 | 121.5 | ||||
| 268 | R | 38 | Very low | 37.1 | Very low | 224 Ų | 224 | 140.7 Ų | 140.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | -175.9 | 144 | 120.9 | -107.3 | 172.2 | 177.4 | 69.2 | 6.8 | 114.7 | |||||
| 269 | E | 32.9 | Very low | 36.7 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | -75.4 | 178.9 | -171.2 | -65.4 | 171 | 139.7 | 0 | 0 | 115.8 | ||||
| 270 | D | 37.1 | Very low | 36.4 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 107.8 | 133.7 | 158.3 | -51.1 | -21.8 | 0 | 0 | 0 | 114.6 | ||||
| 271 | E | 35.8 | Very low | 36.8 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | cis | -172.6 | 142.3 | -20.9 | -112.7 | -160.4 | 134.3 | 0 | 0 | 103.2 | ||||
| 272 | Y | 35.2 | Very low | 37.1 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 15.2 | 131.9 | 157 | -44.8 | -77.7 | 0 | 0 | 0 | 121.3 | ||||
| 273 | D | 40.1 | Very low | 37.6 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | -162 | 138.4 | 107.2 | -100 | -23.2 | 0 | 0 | 0 | 113.2 | |||||
| 274 | E | 41.2 | Very low | 38.2 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | trans | -106.4 | 128.5 | -166.3 | 162 | 177.3 | -154.8 | 0 | 0 | 108.9 | ||||
| 275 | Y | 45.1 | Very low | 38.8 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | -148.2 | 97.6 | 155.8 | -63.1 | -68.1 | 0 | 0 | 0 | 110.5 | ||||
| 276 | E | 39.8 | Very low | 39.1 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | 21 | 143.3 | 131.2 | -68.6 | -76.1 | -179.9 | 0 | 0 | 121.2 | ||||
| 277 | A | 41.6 | Very low | 39.3 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | -64.6 | 171.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 278 | E | 39.8 | Very low | 39.4 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | -163.2 | 143.5 | 109.5 | -75.6 | -126.7 | 174.3 | 0 | 0 | 111.2 | |||||
| 279 | D | 40.1 | Very low | 39.2 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -55.2 | 153.5 | 177.1 | -78.6 | -50.4 | 0 | 0 | 0 | 114.3 | ||||
| 280 | D | 43.4 | Very low | 39.1 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | -178.4 | 113.9 | 105.7 | -123.4 | 13.8 | 0 | 0 | 0 | 109.6 | |||||
| 281 | D | 46 | Very low | 38.9 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 60% | 0.599 | 75% | 0.754 | S | S | * | * | 55.7 | 142.2 | 121.5 | -63.7 | -4.5 | 0 | 0 | 0 | 120.1 | |||||
| 282 | E | 39.9 | Very low | 39 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | -172.4 | 179 | -6.6 | -111.7 | 178.6 | 172.1 | 0 | 0 | 103.7 | ||||
| 283 | D | 43.8 | Very low | 39 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 91.9 | 83.9 | 166.2 | -64.2 | -24.3 | 0 | 0 | 0 | 119.1 | ||||
| 284 | D | 43.6 | Very low | 38.9 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 57 | 137 | 102.9 | -91.1 | 0.6 | 0 | 0 | 0 | 119 | |||||
| 285 | D | 40.8 | Very low | 39 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | -163 | 163.1 | -2.5 | -162.1 | -6.2 | 0 | 0 | 0 | 106.8 | ||||
| 286 | E | 37.2 | Very low | 38.9 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -62.5 | 164.7 | -169.1 | -59.8 | -172.8 | 162.4 | 0 | 0 | 117.2 | ||||
| 287 | G | 33.3 | Very low | 39.1 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 171.9 | 71.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 288 | G | 32.4 | Very low | 39.6 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | trans | -84 | -179.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 289 | K | 34.4 | Very low | 39.8 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | trans | 70.1 | 142.5 | 159.1 | -56.3 | 178.7 | -179.6 | 173.9 | 0 | 114.8 | ||||
| 290 | D | 31 | Very low | 40.4 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | cis | -165.2 | 162.9 | 16.5 | -156.3 | -12.6 | 0 | 0 | 0 | 108.2 | ||||
| 291 | S | 32.8 | Very low | 40.5 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | trans | 65.1 | 129.4 | 147.3 | 75.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 292 | D | 38.5 | Very low | 40.6 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -29.8 | 141.5 | 156.7 | -59.5 | -70.2 | 0 | 0 | 0 | 114.9 | ||||
| 293 | T | 35 | Very low | 41.2 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | 162.7 | 147.8 | 119.3 | -46.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 294 | E | 37.9 | Very low | 41.6 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | trans | 93.6 | 61.2 | 163.1 | -48 | -162.1 | 153.8 | 0 | 0 | 118.4 | T296 | E294-T296 PolarHBondContact O-N 3.27Š| ||
| 295 | T | 41.9 | Very low | 42.3 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 83% | 0.828 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 13.3 | 156.8 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 296 | T | 43.7 | Very low | 42.7 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 61% | 0.607 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -10.9 | -174.4 | 41.8 | 0 | 0 | 0 | 0 | 114.9 | E294 | E294-T296 PolarHBondContact O-N 3.27Š|
| 297 | D | 44.9 | Very low | 43.7 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -98.5 | -3.4 | -171.1 | -103.1 | -41.8 | 0 | 0 | 0 | 116.7 | F299 S300 | D297-F299 VanDerWaalsContact C-N 3.35Å; D297-F299 PolarHBondContact O-N 2.14Å; D297-S300 PolarHBondContact OD1-OG 3.24Å |
| 298 | V | 50.8 | Low | 44.4 | Very low | 114 Ų | 114 | 123 Ų | 123 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -79.8 | -18.3 | -179.3 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 299 | F | 44.9 | Very low | 45.1 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -100.1 | -10.4 | -178.2 | -82.1 | -83.1 | 0 | 0 | 0 | 115 | D297 S301 L302 | D297-F299 VanDerWaalsContact C-N 3.35Å; D297-F299 PolarHBondContact O-N 2.14Å; F299-S301 PolarHBondContact O-N 3.48Å; F299-L302 HydrophobicContact CD1-CD1 3.82Å; F299-L302 HydrophobicContact CE1-CD1 4.1Å; F299-L302 PolarHBondContact O-N 3.19Å |
| 300 | S | 51.7 | Low | 45.9 | Very low | 91 Ų | 91 | 116.8 Ų | 116.8 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -18 | -179.1 | -53 | 0 | 0 | 0 | 0 | 113.7 | D297 | D297-S300 PolarHBondContact OD1-OG 3.24Š|
| 301 | S | 46 | Very low | 46.5 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -4.7 | -177.1 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | F299 N303 | F299-S301 PolarHBondContact O-N 3.48Å; S301-N303 PolarHBondContact O-N 2.89Å |
| 302 | L | 47.3 | Very low | 47.2 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | trans | -88.7 | 92.5 | 174.2 | -74.7 | 162.8 | 0 | 0 | 0 | 109.5 | F299 L304 | F299-L302 HydrophobicContact CD1-CD1 3.82Å; F299-L302 HydrophobicContact CE1-CD1 4.1Å; F299-L302 PolarHBondContact O-N 3.19Å; L302-L304 HydrophobicContact CB-CD1 4.15Å; L302-L304 PolarHBondContact O-N 3.46Å | ||
| 303 | N | 53.3 | Low | 47.5 | Very low | 164 Ų | 164 | 114.5 Ų | 114.5 | 88% | 0.877 | 65% | 0.646 | S | S | * | * | trans | -71.8 | 71.5 | 173.5 | -155.2 | -3.1 | 0 | 0 | 0 | 110.5 | S301 G305 | S301-N303 PolarHBondContact O-N 2.89Å; N303-G305 PolarHBondContact O-N 2.89Å | ||
| 304 | L | 52.4 | Low | 47.9 | Very low | 129 Ų | 129 | 116.2 Ų | 116.2 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | trans | -74.1 | 83.7 | 167.4 | -79.4 | 142.5 | 0 | 0 | 0 | 107.3 | L302 | L302-L304 HydrophobicContact CB-CD1 4.15Å; L302-L304 PolarHBondContact O-N 3.46Å | ||
| 305 | G | 57.1 | Low | 47.7 | Very low | 33 Ų | 33 | 119.3 Ų | 119.3 | 34% | 0.34 | 66% | 0.656 | S | S | . | * | trans | -48.5 | 151.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N303 T307 | N303-G305 PolarHBondContact O-N 2.89Å; G305-T307 PolarHBondContact O-N 3.01Å | ||
| 306 | R | 51 | Low | 47.9 | Very low | 216 Ų | 216 | 121.1 Ų | 121.1 | 82% | 0.815 | 66% | 0.655 | S | S | * | * | trans | -32.5 | 106.7 | -175 | -81.8 | 177.6 | 171.7 | 176.5 | -4 | 112.5 | ||||
| 307 | T | 58 | Low | 47.7 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 53% | 0.534 | 67% | 0.665 | S | S | . | * | trans | -69.9 | 151.9 | 170.5 | 53.4 | 0 | 0 | 0 | 0 | 109.4 | G305 A309 S310 | G305-T307 PolarHBondContact O-N 3.01Å; T307-A309 PolarHBondContact O-N 3.25Å; T307-A309 VanDerWaalsContact O-N 3.08Å; T307-S310 WeakPolarHBondContact O-CB 3.22Å; T307-S310 PolarHBondContact O-N 3.32Å | ||
| 308 | Y | 48.2 | Very low | 47.5 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 42% | 0.416 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -52.5 | -31.1 | -177.7 | 177.7 | -120.4 | 0 | 0 | 0 | 113.5 | F57 S310 G311 | F57-Y308 HydrophobicContact CD1-CE2 4.37Å; F57-Y308 AromaticContact CE1-CD2 3.76Å; F57-Y308 HydrophobicContact CE1-CD2 3.76Å; F57-Y308 AromaticContact CE1-CE2 3.26Å; F57-Y308 HydrophobicContact CE1-CE2 3.26Å; F57-Y308 AromaticContact CZ-CD2 3.61Å; F57-Y308 HydrophobicContact CZ-CD2 3.61Å; F57-Y308 AromaticContact CZ-CE2 3.6Å; F57-Y308 HydrophobicContact CZ-CE2 3.6Å; Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 3.03Å; Y308-G311 PolarHBondContact O-N 3.2Å |
| 309 | A | 47 | Very low | 47.3 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -65.9 | -22.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T307 G311 | T307-A309 PolarHBondContact O-N 3.25Å; T307-A309 VanDerWaalsContact O-N 3.08Å; A309-G311 PolarHBondContact O-N 3.07Å |
| 310 | S | 50 | Low | 47.4 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 46% | 0.455 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -72.2 | -11.3 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 113.6 | T307 Y308 Y312 | T307-S310 WeakPolarHBondContact O-CB 3.22Å; T307-S310 PolarHBondContact O-N 3.32Å; Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 3.03Å; S310-Y312 PolarHBondContact O-N 3.19Å |
| 311 | G | 44.8 | Very low | 47.2 | Very low | 55 Ų | 55 | 135.5 Ų | 135.5 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -82.1 | -4.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | Y308 A309 | Y308-G311 PolarHBondContact O-N 3.2Å; A309-G311 PolarHBondContact O-N 3.07Å |
| 312 | Y | 46.1 | Very low | 47.2 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -98.9 | -2.4 | -175.3 | -96.7 | -87.4 | 0 | 0 | 0 | 114.7 | S310 | S310-Y312 PolarHBondContact O-N 3.19Š|
| 313 | A | 45.9 | Very low | 47.2 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -94 | 8.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 314 | H | 42.7 | Very low | 46.9 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -134.7 | 85 | 175.9 | -77.6 | -76 | 0 | 0 | 0 | 111.5 | ||||
| 315 | F | 34.8 | Very low | 46.5 | Very low | 208 Ų | 208 | 138.3 Ų | 138.3 | 91% | 0.912 | 72% | 0.724 | S | S | * | * | trans | -98.4 | 103.5 | 149.2 | -115.8 | -95.3 | 0 | 0 | 0 | 105.5 | ||||
| 316 | E | 46 | Very low | 45.8 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 121 | 161.9 | -76.1 | 178.1 | 166.6 | 0 | 0 | 106.6 | ||
| 317 | E | 37.9 | Very low | 45.4 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 139.5 | 168.8 | -70.4 | -177.2 | 152 | 0 | 0 | 109.1 | E319 | E317-E319 PolarHBondContact O-N 3.13Š|
| 318 | P | 42.4 | Very low | 44.5 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 118.9 | 171.7 | 28.7 | -29.7 | 0 | 0 | 0 | 109.3 | ||
| 319 | E | 46.2 | Very low | 44.2 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 131 | 162.8 | -69.6 | -168.6 | 154.7 | 0 | 0 | 109.3 | E317 | E317-E319 PolarHBondContact O-N 3.13Š|
| 320 | D | 45.9 | Very low | 43.9 | Very low | 245 Ų | 245 | 153.6 Ų | 153.6 | 100% | 1.31 | 80% | 0.801 | S | S | * | * | trans | -61.1 | 0 | 170 | -80.7 | -45.2 | 0 | 0 | 0 | 112.8 |
Retrieved 320 of 320 residues in 131.3 ms
(Link to these results)