| 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 | 48 | Very low | 58.6 | Low | 239 Ų | 239 | 119.9 Ų | 119.9 | 100% | 1.177 | 68% | 0.681 | S | S | * | * | 0 | 37.8 | 0 | -152 | 162.2 | 104 | 0 | 0 | 113 | |||||
| 2 | L | 52.1 | Low | 59.7 | Low | 152 Ų | 152 | 118 Ų | 118 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | trans | -123.4 | 6.5 | -171.1 | -101.5 | 91.6 | 0 | 0 | 0 | 117.1 | S4 | L2-S4 PolarHBondContact O-N 3.47Š| ||
| 3 | K | 54.1 | Low | 60.7 | Low | 204 Ų | 204 | 118.7 Ų | 118.7 | 89% | 0.887 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -84.3 | -3.5 | -174.2 | -70.2 | -170.8 | 177.1 | -171.9 | 0 | 116 | ||
| 4 | S | 56 | Low | 61.3 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -91 | -22.4 | -171.7 | -174.3 | 0 | 0 | 0 | 0 | 115.5 | L2 T8 | L2-S4 PolarHBondContact O-N 3.47Å; S4-T8 PolarHBondContact O-OG1 3.42Å |
| 5 | L | 55.7 | Low | 62.1 | Low | 140 Ų | 140 | 117.6 Ų | 117.6 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.8 | -26.2 | -172.6 | -80.3 | 128.6 | 0 | 0 | 0 | 113.6 | C9 | L5-C9 PolarHBondContact O-N 3.36Å |
| 6 | S | 58.5 | Low | 62.7 | Low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.1 | -43.7 | -175.9 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | C9 C10 | S6-C9 PolarHBondContact O-N 3.4Å; S6-C10 PolarHBondContact O-N 3.44Å; S6-C10 VanDerWaalsContact O-N 3.15Å |
| 7 | T | 58.3 | Low | 63.2 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 57% | 0.571 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.1 | -41.3 | -178.4 | 15.6 | 0 | 0 | 0 | 0 | 112.5 | C9 C10 S11 | T7-C9 VanDerWaalsContact C-N 3.33Å; T7-C9 PolarHBondContact O-N 3.22Å; T7-C10 PolarHBondContact O-N 3.25Å; T7-S11 PolarHBondContact O-N 3.46Å; T7-S11 PolarHBondContact O-OG 3.3Å |
| 8 | T | 61.9 | Low | 63.4 | Low | 79 Ų | 79 | 120.4 Ų | 120.4 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.2 | -38.6 | 178.3 | -38.2 | 0 | 0 | 0 | 0 | 111.8 | S4 S11 L12 | S4-T8 PolarHBondContact O-OG1 3.42Å; T8-S11 PolarHBondContact O-N 3.04Å; T8-L12 HydrophobicContact CG2-CD1 4.2Å; T8-L12 WeakPolarHBondContact O-CD1 3.4Å; T8-L12 PolarHBondContact O-N 2.98Å |
| 9 | C | 62.8 | Low | 63.4 | Low | 87 Ų | 87 | 117.8 Ų | 117.8 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.3 | -43.4 | 176.6 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | L5 S6 T7 L12 F13 | L5-C9 PolarHBondContact O-N 3.36Å; S6-C9 PolarHBondContact O-N 3.4Å; T7-C9 VanDerWaalsContact C-N 3.33Å; T7-C9 PolarHBondContact O-N 3.22Å; C9-L12 PolarHBondContact O-N 3.15Å; C9-F13 WeakPolarHBondContact O-CB 3.48Å; C9-F13 PolarHBondContact O-N 3Å |
| 10 | C | 64.4 | Low | 63.1 | Low | 64 Ų | 64 | 114.6 Ų | 114.6 | 43% | 0.432 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.2 | -50.1 | 173.9 | -116.7 | 0 | 0 | 0 | 0 | 111.4 | S6 T7 L12 F13 F14 | S6-C10 PolarHBondContact O-N 3.44Å; S6-C10 VanDerWaalsContact O-N 3.15Å; T7-C10 PolarHBondContact O-N 3.25Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 3.25Å; C10-F13 PolarHBondContact O-N 3.37Å; C10-F13 VanDerWaalsContact O-N 3.16Å; C10-F14 HydrophobicContact CB-CE2 4.47Å; C10-F14 WeakPolarHBondContact O-CD2 3.1Å; C10-F14 PolarHBondContact O-N 2.92Å |
| 11 | S | 73 | Confident | 62.9 | Low | 79 Ų | 79 | 113.7 Ų | 113.7 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.4 | -41.1 | 179.6 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | T7 T8 L15 | T7-S11 PolarHBondContact O-N 3.46Å; T7-S11 PolarHBondContact O-OG 3.3Å; T8-S11 PolarHBondContact O-N 3.04Å; S11-L15 WeakPolarHBondContact O-CB 3.49Å; S11-L15 PolarHBondContact O-N 3.42Å |
| 12 | L | 71.2 | Confident | 63.4 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.9 | -38.8 | 175.8 | -81.6 | 155.9 | 0 | 0 | 0 | 112.4 | T8 C9 C10 L15 R16 | T8-L12 HydrophobicContact CG2-CD1 4.2Å; T8-L12 WeakPolarHBondContact O-CD1 3.4Å; T8-L12 PolarHBondContact O-N 2.98Å; C9-L12 PolarHBondContact O-N 3.15Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 2.96Å; L12-R16 WeakPolarHBondContact O-CB 3.44Å; L12-R16 WeakPolarHBondContact O-CG 3.39Å; L12-R16 PolarHBondContact O-N 3.16Å |
| 13 | F | 72.8 | Confident | 63.3 | Low | 127 Ų | 127 | 109 Ų | 109 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -46.5 | 175.6 | -177 | -107 | 0 | 0 | 0 | 111.6 | C9 C10 L15 R16 I17 | C9-F13 WeakPolarHBondContact O-CB 3.48Å; C9-F13 PolarHBondContact O-N 3Å; C10-F13 PolarHBondContact O-N 3.37Å; C10-F13 VanDerWaalsContact O-N 3.16Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.43Å; F13-R16 PolarHBondContact O-N 2.86Å; F13-I17 HydrophobicContact CD1-CD1 3.84Å; F13-I17 HydrophobicContact CE1-CD1 3.3Å; F13-I17 HydrophobicContact CE1-CG1 4.31Å; F13-I17 HydrophobicContact CE2-CD1 4.31Å; F13-I17 HydrophobicContact CZ-CD1 3.58Å; F13-I17 HydrophobicContact CZ-CG1 4.33Å; F13-I17 WeakPolarHBondContact O-CG1 3.47Å; F13-I17 PolarHBondContact O-N 3.28Å |
| 14 | F | 69.2 | Low | 63 | Low | 126 Ų | 126 | 107.6 Ų | 107.6 | 55% | 0.553 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -40.3 | 174.6 | -78.3 | -69.6 | 0 | 0 | 0 | 112.3 | C10 I17 K18 | C10-F14 HydrophobicContact CB-CE2 4.47Å; C10-F14 WeakPolarHBondContact O-CD2 3.1Å; C10-F14 PolarHBondContact O-N 2.92Å; F14-I17 PolarHBondContact O-N 3.45Å; F14-K18 WeakPolarHBondContact O-CG 3.27Å; F14-K18 PolarHBondContact O-N 2.87Å |
| 15 | L | 73.5 | Confident | 62.8 | Low | 95 Ų | 95 | 113 Ų | 113 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.5 | -42.5 | 175.8 | -177.2 | 60.8 | 0 | 0 | 0 | 111.6 | S11 L12 F13 K18 I19 | S11-L15 WeakPolarHBondContact O-CB 3.49Å; S11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 2.96Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.43Å; L15-K18 PolarHBondContact O-N 2.93Å; L15-I19 HydrophobicContact CD1-CD1 4.13Å; L15-I19 HydrophobicContact CD1-CG1 4.35Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 VanDerWaalsContact O-CG1 3.31Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.47Å |
| 16 | R | 72.1 | Confident | 62.4 | Low | 193 Ų | 193 | 110 Ų | 110 | 73% | 0.728 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.8 | -39.9 | 175.4 | -77.5 | -174.9 | 172.2 | -168.4 | -0.9 | 112.4 | L12 F13 I19 A20 | L12-R16 WeakPolarHBondContact O-CB 3.44Å; L12-R16 WeakPolarHBondContact O-CG 3.39Å; L12-R16 PolarHBondContact O-N 3.16Å; F13-R16 PolarHBondContact O-N 2.86Å; R16-I19 PolarHBondContact O-N 3.25Å; R16-A20 VanDerWaalsContact O-CB 3.27Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.4Å |
| 17 | I | 71.3 | Confident | 61.9 | Low | 70 Ų | 70 | 110.4 Ų | 110.4 | 36% | 0.359 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.4 | -45.7 | 172.5 | -71.3 | 178.7 | 0 | 0 | 0 | 110.5 | F13 F14 I19 A20 L21 | F13-I17 HydrophobicContact CD1-CD1 3.84Å; F13-I17 HydrophobicContact CE1-CD1 3.3Å; F13-I17 HydrophobicContact CE1-CG1 4.31Å; F13-I17 HydrophobicContact CE2-CD1 4.31Å; F13-I17 HydrophobicContact CZ-CD1 3.58Å; F13-I17 HydrophobicContact CZ-CG1 4.33Å; F13-I17 WeakPolarHBondContact O-CG1 3.47Å; F13-I17 PolarHBondContact O-N 3.28Å; F14-I17 PolarHBondContact O-N 3.45Å; I17-I19 PolarHBondContact O-N 2.91Å; I17-A20 PolarHBondContact O-N 2.92Å; I17-L21 HydrophobicContact CG2-CD1 3.78Å; I17-L21 HydrophobicContact CG2-CG 4.25Å; I17-L21 WeakPolarHBondContact O-CB 3.5Å; I17-L21 VanDerWaalsContact O-CG 3.27Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.49Å |
| 18 | K | 65.8 | Low | 61.4 | Low | 141 Ų | 141 | 108.7 Ų | 108.7 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.6 | -45.9 | 176.7 | -77.4 | -174.3 | 177.7 | -173.7 | 0 | 112 | F14 L15 L21 Q22 | F14-K18 WeakPolarHBondContact O-CG 3.27Å; F14-K18 PolarHBondContact O-N 2.87Å; L15-K18 PolarHBondContact O-N 2.93Å; K18-L21 PolarHBondContact O-N 2.93Å; K18-Q22 WeakPolarHBondContact O-CB 3.22Å; K18-Q22 WeakPolarHBondContact O-CG 3.4Å; K18-Q22 PolarHBondContact O-N 3.44Å |
| 19 | I | 64.1 | Low | 60.9 | Low | 71 Ų | 71 | 111.2 Ų | 111.2 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -39.7 | 177.4 | -67 | 168.2 | 0 | 0 | 0 | 111.1 | L15 R16 I17 Q22 K23 | L15-I19 HydrophobicContact CD1-CD1 4.13Å; L15-I19 HydrophobicContact CD1-CG1 4.35Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 VanDerWaalsContact O-CG1 3.31Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.47Å; R16-I19 PolarHBondContact O-N 3.25Å; I17-I19 PolarHBondContact O-N 2.91Å; I19-Q22 WeakPolarHBondContact O-CB 3.39Å; I19-Q22 PolarHBondContact O-N 3.4Å; I19-K23 HydrophobicContact CG2-CD 4.48Å; I19-K23 WeakPolarHBondContact O-CB 3.27Å; I19-K23 PolarHBondContact O-N 3.1Å |
| 20 | A | 57.5 | Low | 60.5 | Low | 52 Ų | 52 | 113.6 Ų | 113.6 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.8 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R16 I17 Q22 K23 K24 | R16-A20 VanDerWaalsContact O-CB 3.27Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.4Å; I17-A20 PolarHBondContact O-N 2.92Å; A20-Q22 VanDerWaalsContact C-N 3.34Å; A20-K23 PolarHBondContact O-N 3.29Å; A20-K24 PolarHBondContact O-N 3.38Å |
| 21 | L | 59.7 | Low | 60.8 | Low | 96 Ų | 96 | 117.3 Ų | 117.3 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.3 | -35.5 | 172.5 | -70.6 | 172.5 | 0 | 0 | 0 | 111.7 | I17 K18 R25 | I17-L21 HydrophobicContact CG2-CD1 3.78Å; I17-L21 HydrophobicContact CG2-CG 4.25Å; I17-L21 WeakPolarHBondContact O-CB 3.5Å; I17-L21 VanDerWaalsContact O-CG 3.27Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.49Å; K18-L21 PolarHBondContact O-N 2.93Å; L21-R25 WeakPolarHBondContact O-CB 3.49Å; L21-R25 WeakPolarHBondContact O-CG 3.49Å; L21-R25 PolarHBondContact O-N 3.38Å |
| 22 | Q | 57.6 | Low | 61.4 | Low | 132 Ų | 132 | 115.4 Ų | 115.4 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -46.1 | 171.7 | -77.1 | 177.4 | -22.4 | 0 | 0 | 111.8 | K18 I19 A20 K24 R25 A26 | K18-Q22 WeakPolarHBondContact O-CB 3.22Å; K18-Q22 WeakPolarHBondContact O-CG 3.4Å; K18-Q22 PolarHBondContact O-N 3.44Å; I19-Q22 WeakPolarHBondContact O-CB 3.39Å; I19-Q22 PolarHBondContact O-N 3.4Å; A20-Q22 VanDerWaalsContact C-N 3.34Å; Q22-K24 PolarHBondContact O-N 2.86Å; Q22-R25 PolarHBondContact O-N 2.82Å; Q22-R25 VanDerWaalsContact O-N 3.1Å; Q22-A26 PolarHBondContact O-N 3.04Å |
| 23 | K | 50.9 | Low | 62.1 | Low | 160 Ų | 160 | 111.5 Ų | 111.5 | 70% | 0.696 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -38.8 | 178.5 | -80.7 | -174.2 | 173.7 | -174.3 | 0 | 112.9 | I19 A20 R25 A26 | I19-K23 HydrophobicContact CG2-CD 4.48Å; I19-K23 WeakPolarHBondContact O-CB 3.27Å; I19-K23 PolarHBondContact O-N 3.1Å; A20-K23 PolarHBondContact O-N 3.29Å; K23-R25 VanDerWaalsContact C-N 3.27Å; K23-R25 PolarHBondContact O-N 2.88Å; K23-A26 PolarHBondContact O-N 3.19Å |
| 24 | K | 46.9 | Very low | 62.9 | Low | 175 Ų | 175 | 107.1 Ų | 107.1 | 76% | 0.761 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68 | -25.3 | 172.6 | -82.8 | -170 | 174.1 | -175.3 | 0 | 113.1 | A20 Q22 V27 | A20-K24 PolarHBondContact O-N 3.38Å; Q22-K24 PolarHBondContact O-N 2.86Å; K24-V27 WeakPolarHBondContact O-CG2 3.28Å |
| 25 | R | 51.2 | Low | 64 | Low | 200 Ų | 200 | 104.6 Ų | 104.6 | 76% | 0.755 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -84.2 | -17.7 | 176.2 | -76.9 | 177.5 | 132.4 | 138.9 | 2.1 | 114.2 | L21 Q22 K23 V27 | L21-R25 WeakPolarHBondContact O-CB 3.49Å; L21-R25 WeakPolarHBondContact O-CG 3.49Å; L21-R25 PolarHBondContact O-N 3.38Å; Q22-R25 PolarHBondContact O-N 2.82Å; Q22-R25 VanDerWaalsContact O-N 3.1Å; K23-R25 VanDerWaalsContact C-N 3.27Å; K23-R25 PolarHBondContact O-N 2.88Å; R25-V27 VanDerWaalsContact C-N 3.29Å |
| 26 | A | 48.7 | Very low | 65.1 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 7.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q22 K23 G28 | Q22-A26 PolarHBondContact O-N 3.04Å; K23-A26 PolarHBondContact O-N 3.19Å; A26-G28 PolarHBondContact O-N 2.89Å |
| 27 | V | 47.7 | Very low | 66.3 | Low | 104 Ų | 104 | 94.5 Ų | 94.5 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -59.2 | 109.3 | 156.8 | 179.4 | 0 | 0 | 0 | 0 | 104.9 | K24 R25 K29 | K24-V27 WeakPolarHBondContact O-CG2 3.28Å; R25-V27 VanDerWaalsContact C-N 3.29Å; V27-K29 PolarHBondContact O-N 3.29Å |
| 28 | G | 47.6 | Very low | 67.6 | Low | 56 Ų | 56 | 91.3 Ų | 91.3 | 58% | 0.577 | 48% | 0.478 | S | S | * | . | trans | -35.3 | 125.7 | -156.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A26 F30 | A26-G28 PolarHBondContact O-N 2.89Å; G28-F30 PolarHBondContact O-N 3.08Å | ||
| 29 | K | 51.6 | Low | 69.1 | Low | 132 Ų | 132 | 86.2 Ų | 86.2 | 57% | 0.574 | 46% | 0.458 | S | S | * | . | trans | -38 | 110.1 | 168.8 | -175.7 | -176.4 | -175.1 | -173.9 | 0 | 106 | V27 L31 D168 | V27-K29 PolarHBondContact O-N 3.29Å; K29-L31 PolarHBondContact O-N 3.12Å; K29-D168 IonicContact NZ-OD1 3.19Å; K29-D168 PolarHBondContact NZ-OD1 3.06Å; K29-D168 IonicContact NZ-OD2 3.29Å; K29-D168 PolarHBondContact NZ-OD2 3.41Å | ||
| 30 | F | 53.8 | Low | 70.7 | Confident | 138 Ų | 138 | 83.7 Ų | 83.7 | 61% | 0.605 | 45% | 0.446 | S | S | * | . | trans | -52.5 | 115.3 | 177.2 | -74.1 | -90.9 | 0 | 0 | 0 | 105.3 | G28 I32 | G28-F30 PolarHBondContact O-N 3.08Å; F30-I32 HydrophobicContact CB-CD1 4.25Å; F30-I32 HydrophobicContact CB-CG1 4.23Å; F30-I32 PolarHBondContact O-N 3.22Å | ||
| 31 | L | 70.5 | Confident | 72.6 | Confident | 142 Ų | 142 | 82.5 Ų | 82.5 | 74% | 0.743 | 43% | 0.431 | S | S | * | . | trans | -73.7 | 62.1 | -178.9 | -63.4 | 172.8 | 0 | 0 | 0 | 108.3 | K29 | K29-L31 PolarHBondContact O-N 3.12Š| ||
| 32 | I | 85.1 | Confident | 74.4 | Confident | 38 Ų | 38 | 82.6 Ų | 82.6 | 20% | 0.195 | 43% | 0.432 | C | S | . | . | trans | -93.9 | 132.4 | 170.8 | -62.8 | 174.6 | 0 | 0 | 0 | 106.4 | F30 F137 Y161 F169 | F30-I32 HydrophobicContact CB-CD1 4.25Å; F30-I32 HydrophobicContact CB-CG1 4.23Å; F30-I32 PolarHBondContact O-N 3.22Å; I32-F137 HydrophobicContact CG2-CD1 4.47Å; I32-Y161 HydrophobicContact CG2-CD1 4.2Å; I32-Y161 HydrophobicContact CG2-CE1 3.99Å; I32-F169 HydrophobicContact CB-CB 4.31Å; I32-F169 HydrophobicContact CB-CD1 4.17Å; I32-F169 HydrophobicContact CB-CD2 4.41Å; I32-F169 HydrophobicContact CB-CG 4.03Å; I32-F169 HydrophobicContact CD1-CE1 4.35Å; I32-F169 HydrophobicContact CD1-CZ 4.47Å; I32-F169 HydrophobicContact CG2-CB 4.28Å; I32-F169 HydrophobicContact CG2-CD1 4.41Å; I32-F169 HydrophobicContact CG2-CD2 3.77Å; I32-F169 HydrophobicContact CG2-CE2 4.19Å; I32-F169 HydrophobicContact CG2-CG 3.88Å; I32-F169 WeakPolarHBondContact O-CB 3.47Å | ||
| 33 | G | 87.4 | Confident | 76.2 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 17% | 0.165 | 43% | 0.425 | C | S | . | . | trans | 92.7 | -171.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112 | A136 | G33-A136 PolarHBondContact N-O 2.65Š| ||
| 34 | G | 88.2 | Confident | 78.5 | Confident | 35 Ų | 35 | 76.7 Ų | 76.7 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | trans | 142 | -179 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W36 | G34-W36 VanDerWaalsContact O-CD1 3.32Š| ||
| 35 | D | 93.2 | Very high | 80.9 | Confident | 72 Ų | 72 | 73.2 Ų | 73.2 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | trans | -79.7 | 131.4 | 178.1 | -74 | -8.5 | 0 | 0 | 0 | 111 | S48 K49 R52 | D35-S48 WeakPolarHBondContact CA-OG 3.39Å; D35-S48 PolarHBondContact OD1-OG 2.77Å; D35-K49 WeakPolarHBondContact OD2-CE 3.45Å; D35-K49 IonicContact OD2-NZ 2.73Å; D35-R52 IonicContact OD1-CZ 2.8Å; D35-R52 IonicContact OD1-NH2 3.42Å; D35-R52 PolarHBondContact OD1-NH2 3.12Å | ||
| 36 | W | 95.8 | Very high | 83.1 | Confident | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.019 | 38% | 0.379 | C | S | . | . | trans | -133 | 154.8 | 176.2 | 47.7 | -97 | 0 | 0 | 0 | 110.9 | G34 L38 S47 S48 Y51 L95 L123 V133 F137 | G34-W36 VanDerWaalsContact O-CD1 3.32Å; W36-L38 HydrophobicContact CD2-CD1 4.48Å; W36-L38 HydrophobicContact CE3-CB 4.36Å; W36-L38 HydrophobicContact CE3-CD1 3.86Å; W36-L38 HydrophobicContact CE3-CG 4.1Å; W36-L38 HydrophobicContact CZ3-CD1 4.26Å; W36-S47 VanDerWaalsContact CZ3-C 3.45Å; W36-S47 CarbonylContact O-C 3.57Å; W36-S47 VanDerWaalsContact O-CA 3.27Å; W36-S47 WeakPolarHBondContact O-CA 3.47Å; W36-S47 WeakPolarHBondContact O-CB 3.36Å; W36-S48 VanDerWaalsContact CE2-CB 3.4Å; W36-S48 VanDerWaalsContact CE3-N 3.34Å; W36-S48 PolarHBondContact N-OG 2.72Å; W36-S48 PolarHBondContact O-N 2.73Å; W36-Y51 AromaticContact CH2-CD2 3.6Å; W36-Y51 HydrophobicContact CH2-CD2 3.6Å; W36-Y51 AromaticContact CH2-CE2 3.56Å; W36-Y51 HydrophobicContact CH2-CE2 3.56Å; W36-Y51 HydrophobicContact CZ2-CD2 4.2Å; W36-Y51 HydrophobicContact CZ3-CD2 4.49Å; W36-Y51 HydrophobicContact CZ3-CE2 4.27Å; W36-L95 HydrophobicContact CH2-CD1 4.25Å; W36-L95 HydrophobicContact CZ2-CD1 4.29Å; W36-L123 HydrophobicContact CH2-CD1 3.76Å; W36-L123 HydrophobicContact CZ3-CD1 3.88Å; W36-V133 HydrophobicContact CB-CB 3.84Å; W36-V133 HydrophobicContact CB-CG2 3.73Å; W36-V133 HydrophobicContact CG-CB 4.39Å; W36-V133 HydrophobicContact CG-CG2 3.75Å; W36-F137 AromaticContact CD1-CE2 3.86Å; W36-F137 AromaticContact NE1-CE2 3.96Å | ||
| 37 | D | 97.6 | Very high | 85.4 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 115.4 | -176.4 | -52 | -78.5 | 0 | 0 | 0 | 107.5 | S47 Q129 K132 | D37-S47 WeakPolarHBondContact OD1-CB 3.43Å; D37-Q129 WeakPolarHBondContact O-CB 3.33Å; D37-Q129 WeakPolarHBondContact O-CG 3.2Å; D37-Q129 PolarHBondContact O-NE2 3.36Å; D37-Q129 VanDerWaalsContact O-NE2 3.08Å; D37-K132 IonicContact OD2-NZ 3.67Å; D37-K132 PolarHBondContact OD2-NZ 3.39Å; D37-K132 VanDerWaalsContact OD2-NZ 3.12Å |
| 38 | L | 98.2 | Very high | 87.7 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | -168.6 | -172.3 | -71.2 | 174.7 | 0 | 0 | 0 | 109.5 | W36 T46 I97 L123 T124 Q129 V133 | W36-L38 HydrophobicContact CD2-CD1 4.48Å; W36-L38 HydrophobicContact CE3-CB 4.36Å; W36-L38 HydrophobicContact CE3-CD1 3.86Å; W36-L38 HydrophobicContact CE3-CG 4.1Å; W36-L38 HydrophobicContact CZ3-CD1 4.26Å; L38-T46 CarbonylContact C-O 3.54Å; L38-T46 WeakPolarHBondContact CA-O 3.36Å; L38-T46 PolarHBondContact N-O 3.34Å; L38-T46 PolarHBondContact O-N 2.87Å; L38-T46 VanDerWaalsContact O-O 3.08Å; L38-I97 HydrophobicContact CD1-CD1 4.11Å; L38-I97 HydrophobicContact CD1-CG1 4.3Å; L38-I97 HydrophobicContact CD1-CG2 3.9Å; L38-L123 HydrophobicContact CD1-CB 3.99Å; L38-L123 HydrophobicContact CD1-CD1 4.34Å; L38-T124 WeakPolarHBondContact CB-O 3.47Å; L38-Q129 HydrophobicContact CD2-CB 3.98Å; L38-V133 HydrophobicContact CD1-CG1 4.35Å; L38-V133 HydrophobicContact CD2-CG1 4.4Å |
| 39 | V | 98.2 | Very high | 90.1 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.6 | 174 | -174 | 0 | 0 | 0 | 0 | 107.5 | G43 K44 P106 L123 T124 | V39-G43 VanDerWaalsContact CG1-C 3.49Å; V39-K44 WeakPolarHBondContact CA-O 3.38Å; V39-P106 HydrophobicContact CG1-CG 4.3Å; V39-L123 WeakPolarHBondContact O-CA 3.48Å; V39-T124 PolarHBondContact N-O 3.05Å; V39-T124 PolarHBondContact O-N 3.03Å; V39-T124 VanDerWaalsContact O-O 3.1Å |
| 40 | D | 97.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 10% | 0.096 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 167.6 | 173.8 | 75.9 | 14 | 0 | 0 | 0 | 112.2 | N42 G43 K44 V121 G122 L123 | D40-N42 PolarHBondContact O-N 3.02Å; D40-N42 VanDerWaalsContact OD1-CA 3.29Å; D40-N42 WeakPolarHBondContact OD1-CA 3.38Å; D40-N42 WeakPolarHBondContact OD1-CB 3.32Å; D40-N42 PolarHBondContact OD1-N 3.2Å; D40-G43 PolarHBondContact O-N 2.98Å; D40-G43 PolarHBondContact OD1-N 3.07Å; D40-G43 VanDerWaalsContact OD1-N 3.13Å; D40-K44 PolarHBondContact N-O 3.43Å; D40-K44 WeakPolarHBondContact OD1-CB 3.35Å; D40-K44 PolarHBondContact OD1-N 2.87Å; D40-K44 WeakPolarHBondContact OD2-CB 3.35Å; D40-V121 HydrophobicContact CB-CG1 4.46Å; D40-G122 CarbonylContact C-O 3.56Å; D40-G122 WeakPolarHBondContact CA-O 3.4Å; D40-L123 HydrophobicContact CB-CD2 4.02Å |
| 41 | H | 97 | Very high | 94.3 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -8.4 | 178.1 | 63.5 | -91.7 | 0 | 0 | 0 | 114.3 | V109 K110 V113 G122 | H41-V109 HydrophobicContact CB-CG1 4.13Å; H41-K110 HydrophobicContact CB-CB 3.87Å; H41-K110 HydrophobicContact CB-CG 4.49Å; H41-V113 HydrophobicContact CB-CG2 4.46Å; H41-G122 PolarHBondContact N-O 2.89Å; H41-G122 PolarHBondContact ND1-N 3.18Å; H41-G122 VanDerWaalsContact ND1-N 3.13Å; H41-G122 PolarHBondContact ND1-O 3.21Å; H41-G122 VanDerWaalsContact ND1-O 3.12Å |
| 42 | N | 97.1 | Very high | 95.6 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 5.8 | 171.5 | -62.1 | -59.8 | 0 | 0 | 0 | 112.8 | D40 K44 K110 | D40-N42 PolarHBondContact O-N 3.02Å; D40-N42 VanDerWaalsContact OD1-CA 3.29Å; D40-N42 WeakPolarHBondContact OD1-CA 3.38Å; D40-N42 WeakPolarHBondContact OD1-CB 3.32Å; D40-N42 PolarHBondContact OD1-N 3.2Å; N42-K44 VanDerWaalsContact C-N 3.31Å; N42-K110 PolarHBondContact OD1-NZ 3.48Å |
| 43 | G | 96.2 | Very high | 96.1 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 79.8 | 10.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V39 D40 | V39-G43 VanDerWaalsContact CG1-C 3.49Å; D40-G43 PolarHBondContact O-N 2.98Å; D40-G43 PolarHBondContact OD1-N 3.07Å; D40-G43 VanDerWaalsContact OD1-N 3.13Å |
| 44 | K | 97.7 | Very high | 96.6 | Very high | 123 Ų | 123 | 54.3 Ų | 54.3 | 54% | 0.535 | 31% | 0.308 | S | S | . | . | trans | -85.8 | 129.5 | 178.9 | -176.3 | -166.3 | 166.6 | -162.5 | 0 | 109.8 | V39 D40 N42 T46 | V39-K44 WeakPolarHBondContact CA-O 3.38Å; D40-K44 PolarHBondContact N-O 3.43Å; D40-K44 WeakPolarHBondContact OD1-CB 3.35Å; D40-K44 PolarHBondContact OD1-N 2.87Å; D40-K44 WeakPolarHBondContact OD2-CB 3.35Å; N42-K44 VanDerWaalsContact C-N 3.31Å; K44-T46 PolarHBondContact O-N 3.27Å; K44-T46 PolarHBondContact O-OG1 2.9Å | ||
| 45 | P | 98.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 66% | 0.662 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 125 | 168.2 | -23.9 | 34.2 | 0 | 0 | 0 | 110.4 | ||
| 46 | T | 98 | Very high | 97.3 | Very high | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128 | -173 | -68.1 | 0 | 0 | 0 | 0 | 109.4 | L38 K44 Y51 L123 | L38-T46 CarbonylContact C-O 3.54Å; L38-T46 WeakPolarHBondContact CA-O 3.36Å; L38-T46 PolarHBondContact N-O 3.34Å; L38-T46 PolarHBondContact O-N 2.87Å; L38-T46 VanDerWaalsContact O-O 3.08Å; K44-T46 PolarHBondContact O-N 3.27Å; K44-T46 PolarHBondContact O-OG1 2.9Å; T46-Y51 HydrophobicContact CG2-CE2 3.52Å; T46-L123 HydrophobicContact CG2-CD2 3.8Å |
| 47 | S | 97 | Very high | 97.4 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 163 | -176.8 | 73 | 0 | 0 | 0 | 0 | 111.5 | W36 D37 K49 D50 Y51 | W36-S47 VanDerWaalsContact CZ3-C 3.45Å; W36-S47 CarbonylContact O-C 3.57Å; W36-S47 VanDerWaalsContact O-CA 3.27Å; W36-S47 WeakPolarHBondContact O-CA 3.47Å; W36-S47 WeakPolarHBondContact O-CB 3.36Å; D37-S47 WeakPolarHBondContact OD1-CB 3.43Å; S47-K49 PolarHBondContact O-N 3.05Å; S47-K49 PolarHBondContact OG-N 3.35Å; S47-D50 WeakPolarHBondContact CA-OD2 3.43Å; S47-D50 PolarHBondContact N-OD2 3.03Å; S47-D50 WeakPolarHBondContact O-CB 3.45Å; S47-D50 PolarHBondContact O-N 2.88Å; S47-D50 VanDerWaalsContact O-N 3.09Å; S47-D50 PolarHBondContact OG-OD2 2.83Å; S47-Y51 WeakPolarHBondContact O-CD2 3.4Å |
| 48 | S | 96.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -54 | -26.6 | 170.8 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | D35 W36 D50 Y51 R52 | D35-S48 WeakPolarHBondContact CA-OG 3.39Å; D35-S48 PolarHBondContact OD1-OG 2.77Å; W36-S48 VanDerWaalsContact CE2-CB 3.4Å; W36-S48 VanDerWaalsContact CE3-N 3.34Å; W36-S48 PolarHBondContact N-OG 2.72Å; W36-S48 PolarHBondContact O-N 2.73Å; S48-D50 VanDerWaalsContact C-N 3.35Å; S48-Y51 PolarHBondContact O-N 2.84Å; S48-R52 VanDerWaalsContact C-NH1 3.29Å; S48-R52 PolarHBondContact O-NH1 3.24Å |
| 49 | K | 96.4 | Very high | 97.4 | Very high | 125 Ų | 125 | 46.3 Ų | 46.3 | 54% | 0.543 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -74.3 | -28 | -177.3 | -65.9 | 176.8 | -177.8 | 168.1 | 0 | 112.2 | D35 S47 Y51 R52 | D35-K49 WeakPolarHBondContact OD2-CE 3.45Å; D35-K49 IonicContact OD2-NZ 2.73Å; S47-K49 PolarHBondContact O-N 3.05Å; S47-K49 PolarHBondContact OG-N 3.35Å; K49-Y51 PolarHBondContact O-N 2.89Å; K49-R52 WeakPolarHBondContact O-CG 3.5Å; K49-R52 PolarHBondContact O-N 3.31Å |
| 50 | D | 97.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -66.1 | -18.4 | 177 | -60.4 | -59.1 | 0 | 0 | 0 | 112.3 | S47 S48 | S47-D50 WeakPolarHBondContact CA-OD2 3.43Å; S47-D50 PolarHBondContact N-OD2 3.03Å; S47-D50 WeakPolarHBondContact O-CB 3.45Å; S47-D50 PolarHBondContact O-N 2.88Å; S47-D50 VanDerWaalsContact O-N 3.09Å; S47-D50 PolarHBondContact OG-OD2 2.83Å; S48-D50 VanDerWaalsContact C-N 3.35Å |
| 51 | Y | 97.3 | Very high | 97.2 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -101 | 6.5 | 179.7 | -67.4 | -76.5 | 0 | 0 | 0 | 114.5 | W36 T46 S47 S48 K49 Q54 L56 I93 L95 | W36-Y51 AromaticContact CH2-CD2 3.6Å; W36-Y51 HydrophobicContact CH2-CD2 3.6Å; W36-Y51 AromaticContact CH2-CE2 3.56Å; W36-Y51 HydrophobicContact CH2-CE2 3.56Å; W36-Y51 HydrophobicContact CZ2-CD2 4.2Å; W36-Y51 HydrophobicContact CZ3-CD2 4.49Å; W36-Y51 HydrophobicContact CZ3-CE2 4.27Å; T46-Y51 HydrophobicContact CG2-CE2 3.52Å; S47-Y51 WeakPolarHBondContact O-CD2 3.4Å; S48-Y51 PolarHBondContact O-N 2.84Å; K49-Y51 PolarHBondContact O-N 2.89Å; Y51-Q54 WeakPolarHBondContact O-CB 2.89Å; Y51-Q54 PolarHBondContact O-N 3.03Å; Y51-Q54 VanDerWaalsContact O-N 3.14Å; Y51-L56 HydrophobicContact CD1-CD2 3.59Å; Y51-L56 HydrophobicContact CE1-CD2 4.41Å; Y51-L56 HydrophobicContact CG-CD1 4.08Å; Y51-L56 HydrophobicContact CG-CD2 3.93Å; Y51-I93 HydrophobicContact CD1-CD1 4.16Å; Y51-I93 HydrophobicContact CE1-CD1 4.37Å; Y51-I93 HydrophobicContact CE1-CG2 4.35Å; Y51-L95 HydrophobicContact CD2-CD1 4.45Å; Y51-L95 HydrophobicContact CE1-CD1 4.33Å; Y51-L95 HydrophobicContact CE1-CD2 3.8Å; Y51-L95 HydrophobicContact CE2-CD1 4.21Å |
| 52 | R | 96.4 | Very high | 97 | Very high | 97 Ų | 97 | 42.6 Ų | 42.6 | 37% | 0.366 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 140.8 | 175.3 | -65.8 | -61.1 | -166.1 | -87.9 | -1.8 | 109.9 | D35 S48 K49 Q54 D166 | D35-R52 IonicContact OD1-CZ 2.8Å; D35-R52 IonicContact OD1-NH2 3.42Å; D35-R52 PolarHBondContact OD1-NH2 3.12Å; S48-R52 VanDerWaalsContact C-NH1 3.29Å; S48-R52 PolarHBondContact O-NH1 3.24Å; K49-R52 WeakPolarHBondContact O-CG 3.5Å; K49-R52 PolarHBondContact O-N 3.31Å; R52-Q54 VanDerWaalsContact C-N 3.34Å; R52-D166 PolarHBondContact NE-O 3.44Å |
| 53 | G | 96.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 62% | 0.619 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -10 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P165 | G53-P165 PolarHBondContact N-O 3.47Š|
| 54 | Q | 97.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 41 Ų | 41 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -116.8 | 151.3 | -173.5 | -55.8 | 177.8 | -61.5 | 0 | 0 | 112 | Y51 R52 L56 I93 N164 P165 | Y51-Q54 WeakPolarHBondContact O-CB 2.89Å; Y51-Q54 PolarHBondContact O-N 3.03Å; Y51-Q54 VanDerWaalsContact O-N 3.14Å; R52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-L56 HydrophobicContact CB-CD2 4.31Å; Q54-I93 HydrophobicContact CB-CD1 3.93Å; Q54-I93 HydrophobicContact CG-CD1 4.12Å; Q54-N164 CarbonylContact O-C 3.57Å; Q54-P165 WeakPolarHBondContact O-CA 3.43Å |
| 55 | W | 98.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135.3 | 169 | -74.4 | 87.5 | 0 | 0 | 0 | 109.6 | V92 I93 L162 I163 N164 P165 V170 M190 H193 | W55-V92 HydrophobicContact CB-CB 4.48Å; W55-V92 HydrophobicContact CB-CG1 4.41Å; W55-V92 HydrophobicContact CB-CG2 4.03Å; W55-V92 WeakPolarHBondContact O-CA 3.28Å; W55-I93 PolarHBondContact O-N 2.82Å; W55-L162 HydrophobicContact CE3-CD1 3.79Å; W55-L162 HydrophobicContact CE3-CD2 4.38Å; W55-L162 HydrophobicContact CE3-CG 4.06Å; W55-L162 HydrophobicContact CZ3-CD1 4.22Å; W55-L162 HydrophobicContact CZ3-CD2 3.98Å; W55-L162 HydrophobicContact CZ3-CG 4.01Å; W55-I163 WeakPolarHBondContact CA-O 3.45Å; W55-N164 HydrophobicContact CE3-CB 4.22Å; W55-N164 HydrophobicContact CH2-CB 3.85Å; W55-N164 HydrophobicContact CZ2-CB 4.24Å; W55-N164 HydrophobicContact CZ3-CB 3.84Å; W55-P165 HydrophobicContact CD2-CG 4.47Å; W55-P165 VanDerWaalsContact CE2-CD 3.44Å; W55-P165 HydrophobicContact CG-CG 4.29Å; W55-V170 HydrophobicContact CH2-CG2 4.38Å; W55-V170 HydrophobicContact CZ3-CG1 4.42Å; W55-V170 HydrophobicContact CZ3-CG2 3.95Å; W55-M190 HydrophobicContact CB-CE 3.98Å; W55-M190 HydrophobicContact CD2-CE 3.77Å; W55-M190 HydrophobicContact CD2-CG 4.08Å; W55-M190 HydrophobicContact CE3-CE 4.47Å; W55-M190 HydrophobicContact CE3-CG 4.49Å; W55-M190 HydrophobicContact CG-CE 3.51Å; W55-M190 HydrophobicContact CH2-CG 4.03Å; W55-M190 HydrophobicContact CZ2-CB 4.17Å; W55-M190 HydrophobicContact CZ2-CG 3.58Å; W55-M190 HydrophobicContact CZ3-CG 4.46Å; W55-H193 HydrophobicContact CH2-CB 3.91Å; W55-H193 HydrophobicContact CZ2-CB 3.85Å; W55-H193 AromaticContact CZ2-CD2 3.94Å; W55-H193 AromaticContact CZ2-CG 3.9Å |
| 56 | L | 98.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139 | -178.1 | -43.1 | 172 | 0 | 0 | 0 | 110.7 | Y51 Q54 I58 I93 L95 L162 I163 | Y51-L56 HydrophobicContact CD1-CD2 3.59Å; Y51-L56 HydrophobicContact CE1-CD2 4.41Å; Y51-L56 HydrophobicContact CG-CD1 4.08Å; Y51-L56 HydrophobicContact CG-CD2 3.93Å; Q54-L56 HydrophobicContact CB-CD2 4.31Å; L56-I58 HydrophobicContact CB-CD1 4.45Å; L56-I58 HydrophobicContact CB-CG1 4.09Å; L56-I58 HydrophobicContact CD1-CD1 4.35Å; L56-I93 WeakPolarHBondContact CA-O 3.39Å; L56-I93 HydrophobicContact CD2-CB 3.97Å; L56-I93 HydrophobicContact CD2-CD1 4.27Å; L56-L95 HydrophobicContact CB-CD1 4.33Å; L56-L95 HydrophobicContact CD1-CD1 3.96Å; L56-L95 HydrophobicContact CD2-CD1 4.22Å; L56-L95 HydrophobicContact CG-CD1 4.4Å; L56-L162 WeakPolarHBondContact O-CA 3.39Å; L56-I163 HydrophobicContact CB-CB 4.1Å; L56-I163 HydrophobicContact CD1-CB 4.3Å; L56-I163 HydrophobicContact CD1-CG2 4.34Å; L56-I163 HydrophobicContact CG-CB 4.42Å; L56-I163 PolarHBondContact N-O 3.3Å; L56-I163 PolarHBondContact O-N 2.95Å |
| 57 | L | 98.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.6 | 156.7 | -74.7 | 165.5 | 0 | 0 | 0 | 107.7 | M76 V79 V92 I93 P94 L95 T160 Y161 L162 F173 I186 | L57-M76 HydrophobicContact CB-CG 3.78Å; L57-M76 HydrophobicContact CB-SD 3.73Å; L57-M76 HydrophobicContact CD1-CG 4.13Å; L57-V79 HydrophobicContact CD1-CB 4.05Å; L57-V79 HydrophobicContact CD1-CG1 3.58Å; L57-V92 HydrophobicContact CB-CG1 4.22Å; L57-V92 HydrophobicContact CD1-CG1 3.73Å; L57-V92 HydrophobicContact CG-CG1 3.59Å; L57-I93 PolarHBondContact N-O 2.9Å; L57-P94 CarbonylContact O-C 3.46Å; L57-L95 PolarHBondContact O-N 2.85Å; L57-T160 HydrophobicContact CB-CG2 3.85Å; L57-T160 HydrophobicContact CD2-CG2 3.64Å; L57-T160 HydrophobicContact CG-CG2 4.26Å; L57-Y161 CarbonylContact C-O 3.58Å; L57-Y161 VanDerWaalsContact CA-O 3.28Å; L57-Y161 WeakPolarHBondContact CA-O 3.46Å; L57-L162 HydrophobicContact CD2-CB 4.49Å; L57-L162 HydrophobicContact CD2-CD1 4.11Å; L57-F173 HydrophobicContact CD2-CD2 4.09Å; L57-F173 HydrophobicContact CD2-CE2 3.96Å; L57-I186 HydrophobicContact CD1-CD1 3.98Å; L57-I186 HydrophobicContact CD2-CD1 4.08Å; L57-I186 HydrophobicContact CG-CD1 4.37Å |
| 58 | I | 98 | Very high | 94 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.1 | -177.9 | -51.4 | -176.5 | 0 | 0 | 0 | 108.7 | L56 F60 L95 I97 F137 T160 Y161 I163 | L56-I58 HydrophobicContact CB-CD1 4.45Å; L56-I58 HydrophobicContact CB-CG1 4.09Å; L56-I58 HydrophobicContact CD1-CD1 4.35Å; I58-F60 HydrophobicContact CG2-CD2 4.16Å; I58-F60 HydrophobicContact CG2-CE2 3.64Å; I58-F60 HydrophobicContact CG2-CZ 4.05Å; I58-L95 WeakPolarHBondContact CA-O 3.36Å; I58-L95 HydrophobicContact CD1-CD1 4.3Å; I58-L95 HydrophobicContact CG1-CB 4.26Å; I58-L95 HydrophobicContact CG1-CD1 4.12Å; I58-I97 HydrophobicContact CG2-CD1 3.5Å; I58-I97 HydrophobicContact CG2-CG1 3.94Å; I58-F137 HydrophobicContact CD1-CE1 4.1Å; I58-F137 HydrophobicContact CD1-CZ 3.81Å; I58-T160 CarbonylContact O-C 3.55Å; I58-T160 WeakPolarHBondContact O-CA 3.2Å; I58-Y161 PolarHBondContact N-O 3.04Å; I58-Y161 PolarHBondContact O-N 3.19Å; I58-I163 HydrophobicContact CD1-CG1 3.72Å; I58-I163 HydrophobicContact CG1-CG1 4.3Å |
| 59 | Y | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.5 | 170.7 | -177.2 | -105.9 | 0 | 0 | 0 | 109.9 | C69 E72 I73 L95 F96 I97 H156 I158 | Y59-C69 HydrophobicContact CE1-CB 3.96Å; Y59-E72 HydrophobicContact CD2-CB 4.19Å; Y59-E72 HydrophobicContact CE1-CB 4.35Å; Y59-E72 HydrophobicContact CE2-CB 3.69Å; Y59-E72 HydrophobicContact CE2-CG 4.09Å; Y59-I73 HydrophobicContact CD1-CD1 4.31Å; Y59-I73 HydrophobicContact CD1-CG1 3.75Å; Y59-I73 HydrophobicContact CE1-CD1 4.46Å; Y59-I73 HydrophobicContact CE1-CG1 4.11Å; Y59-L95 PolarHBondContact N-O 2.97Å; Y59-F96 HydrophobicContact CD1-CD2 4.19Å; Y59-F96 WeakPolarHBondContact O-CA 3.37Å; Y59-I97 PolarHBondContact O-N 2.85Å; Y59-H156 AromaticContact CZ-NE2 3.83Å; Y59-H156 PolarHBondContact OH-NE2 3.35Å; Y59-I158 HydrophobicContact CE2-CG2 4.4Å |
| 60 | F | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.4 | 177 | -67.9 | -100 | 0 | 0 | 0 | 108.3 | I58 I97 V99 V133 F137 V139 H156 Y161 | I58-F60 HydrophobicContact CG2-CD2 4.16Å; I58-F60 HydrophobicContact CG2-CE2 3.64Å; I58-F60 HydrophobicContact CG2-CZ 4.05Å; F60-I97 WeakPolarHBondContact CA-O 3.32Å; F60-I97 HydrophobicContact CD1-CB 3.94Å; F60-I97 HydrophobicContact CD1-CG2 3.97Å; F60-I97 HydrophobicContact CE1-CB 4.06Å; F60-I97 HydrophobicContact CE1-CD1 3.91Å; F60-I97 HydrophobicContact CE1-CG2 3.94Å; F60-I97 HydrophobicContact CZ-CD1 3.94Å; F60-V99 HydrophobicContact CB-CG1 3.88Å; F60-V99 HydrophobicContact CD1-CG1 4.03Å; F60-V99 HydrophobicContact CG-CG1 4.47Å; F60-V133 HydrophobicContact CE1-CG1 4.2Å; F60-V133 HydrophobicContact CE1-CG2 3.93Å; F60-V133 HydrophobicContact CZ-CG2 4.04Å; F60-F137 HydrophobicContact CE2-CB 3.9Å; F60-F137 AromaticContact CE2-CD1 3.84Å; F60-F137 HydrophobicContact CE2-CD1 3.84Å; F60-F137 HydrophobicContact CE2-CD2 4.37Å; F60-F137 HydrophobicContact CE2-CE1 4.43Å; F60-F137 AromaticContact CE2-CG 3.79Å; F60-F137 HydrophobicContact CE2-CG 3.79Å; F60-F137 HydrophobicContact CZ-CB 3.73Å; F60-F137 HydrophobicContact CZ-CD1 4.02Å; F60-F137 AromaticContact CZ-CD2 3.71Å; F60-F137 HydrophobicContact CZ-CD2 3.71Å; F60-F137 HydrophobicContact CZ-CE2 4.31Å; F60-F137 AromaticContact CZ-CG 3.54Å; F60-F137 HydrophobicContact CZ-CG 3.54Å; F60-V139 HydrophobicContact CB-CG1 3.91Å; F60-V139 HydrophobicContact CB-CG2 4.2Å; F60-V139 HydrophobicContact CD1-CB 4.44Å; F60-V139 HydrophobicContact CD1-CG1 4.32Å; F60-V139 HydrophobicContact CD1-CG2 4Å; F60-V139 HydrophobicContact CD2-CG2 3.55Å; F60-V139 HydrophobicContact CE1-CG2 4.22Å; F60-V139 HydrophobicContact CE2-CG2 3.79Å; F60-V139 HydrophobicContact CG-CB 4.37Å; F60-V139 HydrophobicContact CG-CG1 4.11Å; F60-V139 HydrophobicContact CG-CG2 3.65Å; F60-V139 HydrophobicContact CZ-CG2 4.13Å; F60-H156 PolarHBondContact O-CD2 3.37Å; F60-Y161 AromaticContact CD2-CD2 3.95Å; F60-Y161 HydrophobicContact CD2-CD2 3.95Å; F60-Y161 AromaticContact CD2-CE2 3.67Å; F60-Y161 HydrophobicContact CD2-CE2 3.67Å; F60-Y161 AromaticContact CE2-CD2 3.75Å; F60-Y161 HydrophobicContact CE2-CD2 3.75Å; F60-Y161 AromaticContact CE2-CE2 3.67Å; F60-Y161 HydrophobicContact CE2-CE2 3.67Å |
| 61 | G | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | -159.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I97 S98 V99 | G61-I97 PolarHBondContact N-O 3.17Å; G61-I97 VanDerWaalsContact N-O 3.08Å; G61-S98 CarbonylContact O-C 3.56Å; G61-S98 VanDerWaalsContact O-CA 3.22Å; G61-S98 WeakPolarHBondContact O-CA 3.37Å; G61-V99 WeakPolarHBondContact O-CG2 3.32Å; G61-V99 PolarHBondContact O-N 3.37Å |
| 62 | F | 93.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | trans | -149.5 | 153.3 | 179.6 | 59.2 | -77.4 | 0 | 0 | 0 | 109.4 | H64 C65 D100 D104 I153 V154 H156 | F62-H64 VanDerWaalsContact C-N 3.29Å; F62-H64 HydrophobicContact CD2-CB 4.02Å; F62-H64 HydrophobicContact CE2-CB 4.24Å; F62-H64 WeakPolarHBondContact CE2-O 3.49Å; F62-H64 PolarHBondContact O-N 2.76Å; F62-C65 HydrophobicContact CD1-CB 3.95Å; F62-C65 HydrophobicContact CD2-CB 3.92Å; F62-C65 HydrophobicContact CE1-CB 3.65Å; F62-C65 HydrophobicContact CE2-CB 3.64Å; F62-C65 VanDerWaalsContact CE2-N 3.27Å; F62-C65 HydrophobicContact CG-CB 4.07Å; F62-C65 HydrophobicContact CZ-CB 3.48Å; F62-C65 VanDerWaalsContact CZ-CB 3.48Å; F62-C65 WeakPolarHBondContact O-CB 3.47Å; F62-C65 PolarHBondContact O-N 2.69Å; F62-D100 HydrophobicContact CB-CB 3.81Å; F62-D104 VanDerWaalsContact CA-OD2 3.23Å; F62-D104 WeakPolarHBondContact CA-OD2 3.34Å; F62-I153 HydrophobicContact CZ-CG2 4.2Å; F62-V154 HydrophobicContact CD1-CB 3.84Å; F62-V154 HydrophobicContact CD1-CG2 4.47Å; F62-V154 HydrophobicContact CE1-CB 3.8Å; F62-V154 VanDerWaalsContact CE1-O 3.24Å; F62-V154 WeakPolarHBondContact CE1-O 3.44Å; F62-V154 HydrophobicContact CG-CB 4.29Å; F62-V154 HydrophobicContact CG-CG2 4.43Å; F62-V154 HydrophobicContact CZ-CB 4.19Å; F62-H156 AromaticContact CD1-ND1 3.96Å; F62-H156 AromaticContact CE1-CE1 3.86Å; F62-H156 AromaticContact CE1-ND1 3.52Å | ||
| 63 | T | 93.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 32.1 Ų | 32.1 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -24.7 | -170.9 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | C65 F96 D104 I108 V109 Y112 | T63-C65 PolarHBondContact O-N 3.04Å; T63-F96 HydrophobicContact CG2-CE1 4.37Å; T63-D104 WeakPolarHBondContact CB-OD1 3.21Å; T63-D104 HydrophobicContact CG2-CB 4.39Å; T63-D104 PolarHBondContact N-OD1 2.97Å; T63-D104 PolarHBondContact N-OD2 2.96Å; T63-D104 PolarHBondContact OG1-OD1 3.38Å; T63-I108 HydrophobicContact CG2-CG2 4.11Å; T63-V109 HydrophobicContact CG2-CG2 4.19Å; T63-Y112 HydrophobicContact CG2-CD1 3.79Å; T63-Y112 HydrophobicContact CG2-CD2 4.42Å; T63-Y112 HydrophobicContact CG2-CG 3.72Å; T63-Y112 WeakPolarHBondContact O-CE2 3.32Å |
| 64 | H | 88.7 | Confident | 93.5 | Very high | 90 Ų | 90 | 35.5 Ų | 35.5 | 42% | 0.417 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 15.5 | 179.3 | -63.1 | 70.8 | 0 | 0 | 0 | 113.2 | F62 P66 D104 | F62-H64 VanDerWaalsContact C-N 3.29Å; F62-H64 HydrophobicContact CD2-CB 4.02Å; F62-H64 HydrophobicContact CE2-CB 4.24Å; F62-H64 WeakPolarHBondContact CE2-O 3.49Å; F62-H64 PolarHBondContact O-N 2.76Å; H64-P66 WeakPolarHBondContact O-CD 3.38Å; H64-D104 IonicContact ND1-OD1 2.67Å |
| 65 | C | 85.5 | Confident | 93.5 | Very high | 10 Ų | 10 | 33 Ų | 33 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | trans | -80.8 | 117.4 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 110 | F62 T63 C69 P70 | F62-C65 HydrophobicContact CD1-CB 3.95Å; F62-C65 HydrophobicContact CD2-CB 3.92Å; F62-C65 HydrophobicContact CE1-CB 3.65Å; F62-C65 HydrophobicContact CE2-CB 3.64Å; F62-C65 VanDerWaalsContact CE2-N 3.27Å; F62-C65 HydrophobicContact CG-CB 4.07Å; F62-C65 HydrophobicContact CZ-CB 3.48Å; F62-C65 VanDerWaalsContact CZ-CB 3.48Å; F62-C65 WeakPolarHBondContact O-CB 3.47Å; F62-C65 PolarHBondContact O-N 2.69Å; T63-C65 PolarHBondContact O-N 3.04Å; C65-C69 HydrophobicContact CB-CB 3.46Å; C65-C69 VanDerWaalsContact CB-CB 3.46Å; C65-C69 WeakPolarHBondContact CB-SG 3.48Å; C65-C69 WeakPolarHBondContact SG-CB 3.5Å; C65-C69 PolarHBondContact SG-N 3.23Å; C65-C69 CovalentContact SG-SG 2.05Å; C65-C69 PolarHBondContact SG-SG 3.22Å; C65-P70 WeakPolarHBondContact O-CD 3.22Å | ||
| 66 | P | 82.4 | Confident | 93.5 | Very high | 87 Ų | 87 | 32.8 Ų | 32.8 | 57% | 0.565 | 18% | 0.176 | S | C | * | . | trans | -70.5 | -44.1 | -163.1 | 23.7 | -33.2 | 0 | 0 | 0 | 114 | H64 | H64-P66 WeakPolarHBondContact O-CD 3.38Š| ||
| 67 | D | 82.2 | Confident | 93.5 | Very high | 113 Ų | 113 | 32.7 Ų | 32.7 | 60% | 0.604 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -128.5 | -54.8 | -169.6 | -55.9 | -51.9 | 0 | 0 | 0 | 113 | C69 P70 D71 | D67-C69 PolarHBondContact O-N 3.21Å; D67-P70 VanDerWaalsContact O-CD 3.3Å; D67-P70 WeakPolarHBondContact O-CD 3.44Å; D67-D71 PolarHBondContact O-N 2.8Å |
| 68 | V | 88.8 | Confident | 93.4 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.3 | -36.6 | -167.6 | 179.2 | 0 | 0 | 0 | 0 | 113.4 | E72 I158 | V68-E72 HydrophobicContact CG1-CG 4.37Å; V68-E72 WeakPolarHBondContact O-CG 3.46Å; V68-E72 PolarHBondContact O-N 2.77Å; V68-E72 VanDerWaalsContact O-N 3.17Å; V68-I158 HydrophobicContact CG1-CB 4.29Å; V68-I158 HydrophobicContact CG1-CD1 3.74Å; V68-I158 HydrophobicContact CG1-CG1 3.79Å; V68-I158 HydrophobicContact CG1-CG2 3.44Å; V68-I158 VanDerWaalsContact CG1-CG2 3.44Å |
| 69 | C | 90.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.8 | -47.7 | -179.7 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | Y59 C65 D67 D71 E72 I73 H156 | Y59-C69 HydrophobicContact CE1-CB 3.96Å; C65-C69 HydrophobicContact CB-CB 3.46Å; C65-C69 VanDerWaalsContact CB-CB 3.46Å; C65-C69 WeakPolarHBondContact CB-SG 3.48Å; C65-C69 WeakPolarHBondContact SG-CB 3.5Å; C65-C69 PolarHBondContact SG-N 3.23Å; C65-C69 CovalentContact SG-SG 2.05Å; C65-C69 PolarHBondContact SG-SG 3.22Å; D67-C69 PolarHBondContact O-N 3.21Å; C69-D71 VanDerWaalsContact C-N 3.33Å; C69-D71 PolarHBondContact O-N 3.21Å; C69-E72 PolarHBondContact O-N 3.22Å; C69-I73 HydrophobicContact CB-CD1 4.45Å; C69-I73 WeakPolarHBondContact O-CB 3.1Å; C69-I73 WeakPolarHBondContact O-CD1 3.46Å; C69-I73 WeakPolarHBondContact O-CG1 3.41Å; C69-I73 PolarHBondContact O-N 2.98Å; C69-H156 PolarHBondContact SG-CE1 3.42Å; C69-H156 PolarHBondContact SG-NE2 3.32Å; C69-H156 VanDerWaalsContact SG-NE2 3.42Å |
| 70 | P | 94.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.5 | -49.6 | 171.9 | -29.2 | 34.2 | 0 | 0 | 0 | 113.5 | C65 D67 E72 I73 E74 F116 | C65-P70 WeakPolarHBondContact O-CD 3.22Å; D67-P70 VanDerWaalsContact O-CD 3.3Å; D67-P70 WeakPolarHBondContact O-CD 3.44Å; P70-E72 PolarHBondContact O-N 3.41Å; P70-I73 PolarHBondContact O-N 2.99Å; P70-E74 WeakPolarHBondContact O-CB 3.43Å; P70-E74 PolarHBondContact O-N 3.15Å; P70-F116 HydrophobicContact CB-CE1 4.08Å; P70-F116 HydrophobicContact CB-CZ 4.11Å |
| 71 | D | 95 | Very high | 93.6 | Very high | 103 Ų | 103 | 40.2 Ų | 40.2 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.4 | -45.3 | -178.7 | -76.4 | -6.7 | 0 | 0 | 0 | 112.8 | D67 C69 K75 | D67-D71 PolarHBondContact O-N 2.8Å; C69-D71 VanDerWaalsContact C-N 3.33Å; C69-D71 PolarHBondContact O-N 3.21Å; D71-K75 WeakPolarHBondContact O-CB 3.47Å; D71-K75 PolarHBondContact O-N 2.86Å; D71-K75 VanDerWaalsContact O-N 3.08Å |
| 72 | E | 96.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.1 | -33.6 | -179.2 | -67.5 | -61.6 | 121.8 | 0 | 0 | 112.4 | Y59 V68 C69 P70 K75 M76 I158 Q175 | Y59-E72 HydrophobicContact CD2-CB 4.19Å; Y59-E72 HydrophobicContact CE1-CB 4.35Å; Y59-E72 HydrophobicContact CE2-CB 3.69Å; Y59-E72 HydrophobicContact CE2-CG 4.09Å; V68-E72 HydrophobicContact CG1-CG 4.37Å; V68-E72 WeakPolarHBondContact O-CG 3.46Å; V68-E72 PolarHBondContact O-N 2.77Å; V68-E72 VanDerWaalsContact O-N 3.17Å; C69-E72 PolarHBondContact O-N 3.22Å; P70-E72 PolarHBondContact O-N 3.41Å; E72-K75 IonicContact OE1-NZ 3.79Å; E72-K75 PolarHBondContact OE1-NZ 2.9Å; E72-K75 WeakPolarHBondContact OE2-CE 3.44Å; E72-K75 IonicContact OE2-NZ 2.66Å; E72-K75 PolarHBondContact OE2-NZ 3.14Å; E72-M76 WeakPolarHBondContact O-CB 3.49Å; E72-M76 PolarHBondContact O-N 2.97Å; E72-I158 HydrophobicContact CG-CG2 3.71Å; E72-Q175 WeakPolarHBondContact OE1-CG 3.5Å |
| 73 | I | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.9 | -46.1 | 175.5 | -67.3 | 167.4 | 0 | 0 | 0 | 110.4 | Y59 C69 P70 K75 M76 C77 F96 Y112 F116 L120 | Y59-I73 HydrophobicContact CD1-CD1 4.31Å; Y59-I73 HydrophobicContact CD1-CG1 3.75Å; Y59-I73 HydrophobicContact CE1-CD1 4.46Å; Y59-I73 HydrophobicContact CE1-CG1 4.11Å; C69-I73 HydrophobicContact CB-CD1 4.45Å; C69-I73 WeakPolarHBondContact O-CB 3.1Å; C69-I73 WeakPolarHBondContact O-CD1 3.46Å; C69-I73 WeakPolarHBondContact O-CG1 3.41Å; C69-I73 PolarHBondContact O-N 2.98Å; P70-I73 PolarHBondContact O-N 2.99Å; I73-K75 VanDerWaalsContact C-N 3.29Å; I73-K75 PolarHBondContact O-N 3.19Å; I73-M76 PolarHBondContact O-N 3.24Å; I73-M76 VanDerWaalsContact O-N 3.13Å; I73-C77 PolarHBondContact O-N 3.19Å; I73-C77 PolarHBondContact O-SG 3.42Å; I73-C77 VanDerWaalsContact O-SG 3.37Å; I73-F96 HydrophobicContact CD1-CD2 3.62Å; I73-F96 HydrophobicContact CD1-CE2 3.89Å; I73-F96 HydrophobicContact CD1-CG 4.36Å; I73-F96 HydrophobicContact CG1-CD2 4.27Å; I73-Y112 HydrophobicContact CD1-CE1 3.6Å; I73-F116 HydrophobicContact CB-CD1 4.17Å; I73-F116 HydrophobicContact CB-CE1 4.16Å; I73-F116 HydrophobicContact CB-CG 4.5Å; I73-F116 HydrophobicContact CB-CZ 4.48Å; I73-F116 HydrophobicContact CD1-CE2 4.48Å; I73-F116 HydrophobicContact CD1-CZ 4.47Å; I73-F116 HydrophobicContact CG2-CB 3.97Å; I73-F116 HydrophobicContact CG2-CD1 3.65Å; I73-F116 HydrophobicContact CG2-CD2 3.87Å; I73-F116 HydrophobicContact CG2-CE1 4.07Å; I73-F116 HydrophobicContact CG2-CE2 4.28Å; I73-F116 HydrophobicContact CG2-CG 3.54Å; I73-F116 HydrophobicContact CG2-CZ 4.37Å; I73-L120 HydrophobicContact CG2-CD1 4.48Å; I73-L120 HydrophobicContact CG2-CD2 3.41Å; I73-L120 VanDerWaalsContact CG2-CD2 3.41Å |
| 74 | E | 97.2 | Very high | 94.1 | Very high | 131 Ų | 131 | 45.5 Ų | 45.5 | 61% | 0.612 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.5 | -45 | 176.6 | -172.3 | -178 | 173.8 | 0 | 0 | 110.6 | P70 M76 C77 K78 | P70-E74 WeakPolarHBondContact O-CB 3.43Å; P70-E74 PolarHBondContact O-N 3.15Å; E74-M76 PolarHBondContact O-N 2.97Å; E74-C77 PolarHBondContact O-N 2.88Å; E74-K78 WeakPolarHBondContact O-CB 3.27Å; E74-K78 PolarHBondContact O-N 3.1Å |
| 75 | K | 97.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 174.6 | -177.8 | 173.5 | 65 | -164.1 | 0 | 112.1 | D71 E72 I73 K78 V79 Q175 R177 A179 I182 | D71-K75 WeakPolarHBondContact O-CB 3.47Å; D71-K75 PolarHBondContact O-N 2.86Å; D71-K75 VanDerWaalsContact O-N 3.08Å; E72-K75 IonicContact OE1-NZ 3.79Å; E72-K75 PolarHBondContact OE1-NZ 2.9Å; E72-K75 WeakPolarHBondContact OE2-CE 3.44Å; E72-K75 IonicContact OE2-NZ 2.66Å; E72-K75 PolarHBondContact OE2-NZ 3.14Å; I73-K75 VanDerWaalsContact C-N 3.29Å; I73-K75 PolarHBondContact O-N 3.19Å; K75-K78 PolarHBondContact O-N 3.01Å; K75-V79 VanDerWaalsContact O-CG2 3.32Å; K75-V79 WeakPolarHBondContact O-CG2 3.44Å; K75-V79 PolarHBondContact O-N 2.77Å; K75-Q175 PolarHBondContact NZ-O 2.94Å; K75-R177 WeakPolarHBondContact CD-O 3.44Å; K75-A179 HydrophobicContact CG-CB 4.34Å; K75-I182 HydrophobicContact CD-CD1 4.08Å; K75-I182 HydrophobicContact CG-CD1 4.34Å |
| 76 | M | 98.1 | Very high | 95 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.9 | -179.9 | 177.8 | 59.4 | 0 | 0 | 111.8 | L57 E72 I73 E74 V79 A80 P94 L120 T160 | L57-M76 HydrophobicContact CB-CG 3.78Å; L57-M76 HydrophobicContact CB-SD 3.73Å; L57-M76 HydrophobicContact CD1-CG 4.13Å; E72-M76 WeakPolarHBondContact O-CB 3.49Å; E72-M76 PolarHBondContact O-N 2.97Å; I73-M76 PolarHBondContact O-N 3.24Å; I73-M76 VanDerWaalsContact O-N 3.13Å; E74-M76 PolarHBondContact O-N 2.97Å; M76-V79 WeakPolarHBondContact O-CB 3.46Å; M76-V79 PolarHBondContact O-N 3.29Å; M76-A80 PolarHBondContact O-N 2.72Å; M76-P94 HydrophobicContact CE-CB 3.97Å; M76-P94 HydrophobicContact CG-CB 3.84Å; M76-P94 HydrophobicContact SD-CB 4.05Å; M76-L120 HydrophobicContact CE-CD1 3.71Å; M76-T160 HydrophobicContact CG-CG2 4.22Å; M76-T160 HydrophobicContact SD-CG2 3.89Å |
| 77 | C | 98.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.5 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | I73 E74 V79 A80 D81 | I73-C77 PolarHBondContact O-N 3.19Å; I73-C77 PolarHBondContact O-SG 3.42Å; I73-C77 VanDerWaalsContact O-SG 3.37Å; E74-C77 PolarHBondContact O-N 2.88Å; C77-V79 VanDerWaalsContact C-N 3.3Å; C77-V79 PolarHBondContact O-N 2.74Å; C77-A80 WeakPolarHBondContact O-CB 3.32Å; C77-A80 PolarHBondContact O-N 3.12Å; C77-A80 VanDerWaalsContact O-N 3.12Å; C77-D81 PolarHBondContact O-N 2.82Å |
| 78 | K | 98.1 | Very high | 96.1 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 175.3 | -173.2 | 179 | 174.2 | -160 | 0 | 112.1 | E74 K75 D81 I82 A179 E180 | E74-K78 WeakPolarHBondContact O-CB 3.27Å; E74-K78 PolarHBondContact O-N 3.1Å; K75-K78 PolarHBondContact O-N 3.01Å; K78-D81 PolarHBondContact O-N 2.86Å; K78-I82 HydrophobicContact CG-CD1 4.22Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.46Å; K78-I82 PolarHBondContact O-N 3.29Å; K78-A179 HydrophobicContact CB-CB 4.02Å; K78-A179 HydrophobicContact CD-CB 3.71Å; K78-A179 HydrophobicContact CG-CB 3.78Å; K78-E180 WeakPolarHBondContact CE-OE1 3.12Å; K78-E180 IonicContact NZ-OE1 3.07Å; K78-E180 PolarHBondContact NZ-OE1 2.97Å; K78-E180 IonicContact NZ-OE2 3.75Å; K78-E180 PolarHBondContact NZ-OE2 2.92Å |
| 79 | V | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 173.4 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | L57 K75 M76 C77 D81 I82 M83 A179 I182 A183 I186 | L57-V79 HydrophobicContact CD1-CB 4.05Å; L57-V79 HydrophobicContact CD1-CG1 3.58Å; K75-V79 VanDerWaalsContact O-CG2 3.32Å; K75-V79 WeakPolarHBondContact O-CG2 3.44Å; K75-V79 PolarHBondContact O-N 2.77Å; M76-V79 WeakPolarHBondContact O-CB 3.46Å; M76-V79 PolarHBondContact O-N 3.29Å; C77-V79 VanDerWaalsContact C-N 3.3Å; C77-V79 PolarHBondContact O-N 2.74Å; V79-D81 VanDerWaalsContact C-N 3.29Å; V79-D81 PolarHBondContact O-N 3.06Å; V79-I82 PolarHBondContact O-N 3.09Å; V79-M83 HydrophobicContact CG1-CG 4.44Å; V79-M83 WeakPolarHBondContact O-CG 3.44Å; V79-M83 PolarHBondContact O-N 3.32Å; V79-A179 HydrophobicContact CG2-CB 3.79Å; V79-I182 HydrophobicContact CB-CG2 4.46Å; V79-I182 HydrophobicContact CG1-CG2 3.86Å; V79-I182 HydrophobicContact CG2-CB 3.78Å; V79-I182 HydrophobicContact CG2-CD1 4.28Å; V79-I182 HydrophobicContact CG2-CG2 3.76Å; V79-A183 HydrophobicContact CG1-CB 4.43Å; V79-I186 HydrophobicContact CG1-CD1 3.52Å |
| 80 | A | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M76 C77 M83 R84 P94 | M76-A80 PolarHBondContact O-N 2.72Å; C77-A80 WeakPolarHBondContact O-CB 3.32Å; C77-A80 PolarHBondContact O-N 3.12Å; C77-A80 VanDerWaalsContact O-N 3.12Å; A80-M83 PolarHBondContact O-N 2.85Å; A80-R84 WeakPolarHBondContact O-CB 3.39Å; A80-R84 PolarHBondContact O-N 3.05Å; A80-P94 HydrophobicContact CB-CB 4.34Å; A80-P94 HydrophobicContact CB-CG 3.81Å |
| 81 | D | 98 | Very high | 96.8 | Very high | 58 Ų | 58 | 60.1 Ų | 60.1 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 176.6 | -73.5 | -16.8 | 0 | 0 | 0 | 113.2 | C77 K78 V79 M83 K85 | C77-D81 PolarHBondContact O-N 2.82Å; K78-D81 PolarHBondContact O-N 2.86Å; V79-D81 VanDerWaalsContact C-N 3.29Å; V79-D81 PolarHBondContact O-N 3.06Å; D81-M83 VanDerWaalsContact C-N 3.34Å; D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 3.5Å |
| 82 | I | 98 | Very high | 96.9 | Very high | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 173.1 | -70.1 | 163.6 | 0 | 0 | 0 | 110 | K78 V79 K85 A179 E180 A183 | K78-I82 HydrophobicContact CG-CD1 4.22Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.46Å; K78-I82 PolarHBondContact O-N 3.29Å; V79-I82 PolarHBondContact O-N 3.09Å; I82-K85 PolarHBondContact O-N 2.94Å; I82-A179 HydrophobicContact CD1-CB 3.95Å; I82-E180 HydrophobicContact CD1-CG 4.12Å; I82-A183 HydrophobicContact CB-CB 4.23Å; I82-A183 HydrophobicContact CG2-CB 3.6Å |
| 83 | M | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 179.4 | -68.2 | -57.7 | -54.8 | 0 | 0 | 111.8 | V79 A80 D81 K85 D86 F89 V92 A183 I186 R187 M190 | V79-M83 HydrophobicContact CG1-CG 4.44Å; V79-M83 WeakPolarHBondContact O-CG 3.44Å; V79-M83 PolarHBondContact O-N 3.32Å; A80-M83 PolarHBondContact O-N 2.85Å; D81-M83 VanDerWaalsContact C-N 3.34Å; M83-K85 VanDerWaalsContact C-N 3.28Å; M83-K85 PolarHBondContact O-N 3.29Å; M83-D86 WeakPolarHBondContact O-CB 3.43Å; M83-D86 PolarHBondContact O-N 3.41Å; M83-F89 HydrophobicContact CE-CB 3.7Å; M83-F89 HydrophobicContact CE-CG 4.24Å; M83-V92 HydrophobicContact CB-CB 4.49Å; M83-V92 HydrophobicContact CB-CG2 4.05Å; M83-V92 HydrophobicContact CE-CG2 4.42Å; M83-V92 HydrophobicContact CG-CG2 3.89Å; M83-A183 HydrophobicContact SD-CB 4.03Å; M83-I186 HydrophobicContact CE-CG2 3.96Å; M83-I186 HydrophobicContact SD-CB 4.36Å; M83-I186 HydrophobicContact SD-CG2 4.16Å; M83-R187 HydrophobicContact CE-CG 4.15Å; M83-R187 HydrophobicContact SD-CG 4.19Å; M83-M190 HydrophobicContact CE-CE 3.87Å; M83-M190 HydrophobicContact CE-SD 3.64Å |
| 84 | R | 96.4 | Very high | 97.1 | Very high | 95 Ų | 95 | 56.1 Ų | 56.1 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -30.8 | 179.2 | -172.4 | -176.5 | -61 | -81.1 | 4.7 | 113.7 | A80 D86 D91 N119 | A80-R84 WeakPolarHBondContact O-CB 3.39Å; A80-R84 PolarHBondContact O-N 3.05Å; R84-D86 PolarHBondContact O-N 3.04Å; R84-D91 WeakPolarHBondContact CA-OD1 3.4Å; R84-D91 IonicContact CZ-OD2 3.45Å; R84-D91 IonicContact NH1-OD2 2.74Å; R84-D91 PolarHBondContact NH1-OD2 3.39Å; R84-N119 VanDerWaalsContact NH2-CG 3.34Å; R84-N119 PolarHBondContact NH2-OD1 3.2Å |
| 85 | K | 97 | Very high | 97.2 | Very high | 174 Ų | 174 | 49.9 Ų | 49.9 | 76% | 0.757 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -14.4 | 176.7 | -72.4 | 169.2 | -175.8 | 169.6 | 0 | 112.9 | D81 I82 M83 | D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 3.5Å; I82-K85 PolarHBondContact O-N 2.94Å; M83-K85 VanDerWaalsContact C-N 3.28Å; M83-K85 PolarHBondContact O-N 3.29Å |
| 86 | D | 95.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | trans | -100.4 | 96.1 | -176 | -171.1 | -16.7 | 0 | 0 | 0 | 110.5 | M83 R84 E88 F89 R187 | M83-D86 WeakPolarHBondContact O-CB 3.43Å; M83-D86 PolarHBondContact O-N 3.41Å; R84-D86 PolarHBondContact O-N 3.04Å; D86-E88 PolarHBondContact O-N 3.24Å; D86-E88 VanDerWaalsContact O-N 3.15Å; D86-E88 WeakPolarHBondContact OD1-CB 3.35Å; D86-E88 PolarHBondContact OD1-N 3.01Å; D86-F89 PolarHBondContact O-N 3.34Å; D86-F89 WeakPolarHBondContact OD2-CD2 3.22Å; D86-R187 IonicContact OD2-CZ 2.72Å; D86-R187 IonicContact OD2-NE 3.54Å; D86-R187 PolarHBondContact OD2-NE 3.42Å; D86-R187 IonicContact OD2-NH2 2.69Å; D86-R187 PolarHBondContact OD2-NH2 2.67Å | ||
| 87 | T | 93.6 | Very high | 97.2 | Very high | 140 Ų | 140 | 48.4 Ų | 48.4 | 86% | 0.859 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.9 | -174.6 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | F89 | T87-F89 VanDerWaalsContact C-N 3.29Š|
| 88 | E | 95.3 | Very high | 97.1 | Very high | 168 Ų | 168 | 48.1 Ų | 48.1 | 79% | 0.785 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -17.9 | 174.6 | -60.2 | -168.2 | 100.2 | 0 | 0 | 112.3 | D86 | D86-E88 PolarHBondContact O-N 3.24Å; D86-E88 VanDerWaalsContact O-N 3.15Å; D86-E88 WeakPolarHBondContact OD1-CB 3.35Å; D86-E88 PolarHBondContact OD1-N 3.01Å |
| 89 | F | 96.1 | Very high | 97 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -122.8 | 150.3 | -175.8 | -66.7 | -83.9 | 0 | 0 | 0 | 112.1 | M83 D86 T87 R187 M190 L191 | M83-F89 HydrophobicContact CE-CB 3.7Å; M83-F89 HydrophobicContact CE-CG 4.24Å; D86-F89 PolarHBondContact O-N 3.34Å; D86-F89 WeakPolarHBondContact OD2-CD2 3.22Å; T87-F89 VanDerWaalsContact C-N 3.29Å; F89-R187 HydrophobicContact CD1-CB 4.32Å; F89-R187 HydrophobicContact CD1-CG 4.19Å; F89-R187 HydrophobicContact CD2-CG 3.8Å; F89-R187 HydrophobicContact CE1-CB 3.83Å; F89-R187 HydrophobicContact CE1-CG 4.07Å; F89-R187 HydrophobicContact CE2-CB 4.11Å; F89-R187 HydrophobicContact CE2-CG 3.67Å; F89-R187 HydrophobicContact CG-CG 4.06Å; F89-R187 HydrophobicContact CZ-CB 3.71Å; F89-R187 HydrophobicContact CZ-CG 3.82Å; F89-M190 HydrophobicContact CB-SD 3.92Å; F89-M190 HydrophobicContact CD1-CB 4Å; F89-M190 HydrophobicContact CD1-SD 3.75Å; F89-M190 HydrophobicContact CE1-CB 4.32Å; F89-M190 HydrophobicContact CG-SD 4.21Å; F89-L191 HydrophobicContact CE1-CD2 4Å; F89-L191 HydrophobicContact CE1-CG 3.96Å; F89-L191 HydrophobicContact CZ-CD1 4.49Å; F89-L191 HydrophobicContact CZ-CD2 4.33Å; F89-L191 HydrophobicContact CZ-CG 4.34Å |
| 90 | P | 95.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 44 Ų | 44 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | trans | -63 | 151.8 | 171.2 | -20.6 | 32.5 | 0 | 0 | 0 | 112.5 | M190 | P90-M190 WeakPolarHBondContact O-CE 3.28Š| ||
| 91 | D | 96.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | trans | -58.2 | 152.7 | 170.3 | -75.6 | -3.9 | 0 | 0 | 0 | 112.1 | R84 | R84-D91 WeakPolarHBondContact CA-OD1 3.4Å; R84-D91 IonicContact CZ-OD2 3.45Å; R84-D91 IonicContact NH1-OD2 2.74Å; R84-D91 PolarHBondContact NH1-OD2 3.39Å | ||
| 92 | V | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.9 | 172.6 | -176 | 0 | 0 | 0 | 0 | 108.8 | W55 L57 M83 P94 I186 M190 | W55-V92 HydrophobicContact CB-CB 4.48Å; W55-V92 HydrophobicContact CB-CG1 4.41Å; W55-V92 HydrophobicContact CB-CG2 4.03Å; W55-V92 WeakPolarHBondContact O-CA 3.28Å; L57-V92 HydrophobicContact CB-CG1 4.22Å; L57-V92 HydrophobicContact CD1-CG1 3.73Å; L57-V92 HydrophobicContact CG-CG1 3.59Å; M83-V92 HydrophobicContact CB-CB 4.49Å; M83-V92 HydrophobicContact CB-CG2 4.05Å; M83-V92 HydrophobicContact CE-CG2 4.42Å; M83-V92 HydrophobicContact CG-CG2 3.89Å; V92-P94 WeakPolarHBondContact O-CD 3.34Å; V92-I186 HydrophobicContact CG2-CG2 4.13Å; V92-M190 HydrophobicContact CG2-CE 3.6Å |
| 93 | I | 98.3 | Very high | 96 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.3 | 179.7 | -57.8 | 169.8 | 0 | 0 | 0 | 109 | Y51 Q54 W55 L56 L57 L95 V121 | Y51-I93 HydrophobicContact CD1-CD1 4.16Å; Y51-I93 HydrophobicContact CE1-CD1 4.37Å; Y51-I93 HydrophobicContact CE1-CG2 4.35Å; Q54-I93 HydrophobicContact CB-CD1 3.93Å; Q54-I93 HydrophobicContact CG-CD1 4.12Å; W55-I93 PolarHBondContact O-N 2.82Å; L56-I93 WeakPolarHBondContact CA-O 3.39Å; L56-I93 HydrophobicContact CD2-CB 3.97Å; L56-I93 HydrophobicContact CD2-CD1 4.27Å; L57-I93 PolarHBondContact N-O 2.9Å; I93-L95 HydrophobicContact CG2-CD2 3.7Å; I93-L95 HydrophobicContact CG2-CG 4.45Å; I93-V121 HydrophobicContact CG2-CG2 4.19Å |
| 94 | P | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.7 | 172.1 | 31 | -29.6 | 0 | 0 | 0 | 110.3 | L57 M76 A80 V92 L120 V121 | L57-P94 CarbonylContact O-C 3.46Å; M76-P94 HydrophobicContact CE-CB 3.97Å; M76-P94 HydrophobicContact CG-CB 3.84Å; M76-P94 HydrophobicContact SD-CB 4.05Å; A80-P94 HydrophobicContact CB-CB 4.34Å; A80-P94 HydrophobicContact CB-CG 3.81Å; V92-P94 WeakPolarHBondContact O-CD 3.34Å; P94-L120 HydrophobicContact CB-CD1 3.94Å; P94-L120 HydrophobicContact CG-CD1 4.35Å; P94-V121 PolarHBondContact O-N 2.8Å |
| 95 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.7 | 177.7 | -55.5 | -174.3 | 0 | 0 | 0 | 109.6 | W36 Y51 L56 L57 I58 Y59 I93 V121 L123 | W36-L95 HydrophobicContact CH2-CD1 4.25Å; W36-L95 HydrophobicContact CZ2-CD1 4.29Å; Y51-L95 HydrophobicContact CD2-CD1 4.45Å; Y51-L95 HydrophobicContact CE1-CD1 4.33Å; Y51-L95 HydrophobicContact CE1-CD2 3.8Å; Y51-L95 HydrophobicContact CE2-CD1 4.21Å; L56-L95 HydrophobicContact CB-CD1 4.33Å; L56-L95 HydrophobicContact CD1-CD1 3.96Å; L56-L95 HydrophobicContact CD2-CD1 4.22Å; L56-L95 HydrophobicContact CG-CD1 4.4Å; L57-L95 PolarHBondContact O-N 2.85Å; I58-L95 WeakPolarHBondContact CA-O 3.36Å; I58-L95 HydrophobicContact CD1-CD1 4.3Å; I58-L95 HydrophobicContact CG1-CB 4.26Å; I58-L95 HydrophobicContact CG1-CD1 4.12Å; Y59-L95 PolarHBondContact N-O 2.97Å; I93-L95 HydrophobicContact CG2-CD2 3.7Å; I93-L95 HydrophobicContact CG2-CG 4.45Å; L95-V121 WeakPolarHBondContact CA-O 3.37Å; L95-V121 HydrophobicContact CD2-CB 3.62Å; L95-V121 HydrophobicContact CD2-CG1 4.3Å; L95-V121 HydrophobicContact CD2-CG2 4.1Å; L95-L123 HydrophobicContact CB-CD1 4.41Å; L95-L123 HydrophobicContact CD1-CD1 4.15Å |
| 96 | F | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.4 | 166.9 | 168.7 | -103.7 | 0 | 0 | 0 | 108.5 | Y59 T63 I73 V109 Y112 V113 L120 V121 G122 L123 | Y59-F96 HydrophobicContact CD1-CD2 4.19Å; Y59-F96 WeakPolarHBondContact O-CA 3.37Å; T63-F96 HydrophobicContact CG2-CE1 4.37Å; I73-F96 HydrophobicContact CD1-CD2 3.62Å; I73-F96 HydrophobicContact CD1-CE2 3.89Å; I73-F96 HydrophobicContact CD1-CG 4.36Å; I73-F96 HydrophobicContact CG1-CD2 4.27Å; F96-V109 HydrophobicContact CD1-CG1 4.15Å; F96-V109 HydrophobicContact CE1-CG1 4.25Å; F96-Y112 HydrophobicContact CE1-CD1 4.12Å; F96-Y112 HydrophobicContact CE1-CE1 4.36Å; F96-Y112 HydrophobicContact CE2-CE1 4.23Å; F96-Y112 HydrophobicContact CZ-CD1 4.23Å; F96-Y112 HydrophobicContact CZ-CE1 4.03Å; F96-V113 HydrophobicContact CB-CG1 4.2Å; F96-V113 HydrophobicContact CD1-CG1 3.92Å; F96-V113 HydrophobicContact CG-CG1 4.35Å; F96-L120 HydrophobicContact CB-CD1 4.15Å; F96-V121 PolarHBondContact N-O 3.33Å; F96-G122 CarbonylContact O-C 3.57Å; F96-G122 WeakPolarHBondContact O-CA 3.44Å; F96-L123 PolarHBondContact O-N 3.48Å |
| 97 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.7 | 174.8 | -59.2 | -179.7 | 0 | 0 | 0 | 108.3 | L38 I58 Y59 F60 G61 L123 V133 | L38-I97 HydrophobicContact CD1-CD1 4.11Å; L38-I97 HydrophobicContact CD1-CG1 4.3Å; L38-I97 HydrophobicContact CD1-CG2 3.9Å; I58-I97 HydrophobicContact CG2-CD1 3.5Å; I58-I97 HydrophobicContact CG2-CG1 3.94Å; Y59-I97 PolarHBondContact O-N 2.85Å; F60-I97 WeakPolarHBondContact CA-O 3.32Å; F60-I97 HydrophobicContact CD1-CB 3.94Å; F60-I97 HydrophobicContact CD1-CG2 3.97Å; F60-I97 HydrophobicContact CE1-CB 4.06Å; F60-I97 HydrophobicContact CE1-CD1 3.91Å; F60-I97 HydrophobicContact CE1-CG2 3.94Å; F60-I97 HydrophobicContact CZ-CD1 3.94Å; G61-I97 PolarHBondContact N-O 3.17Å; G61-I97 VanDerWaalsContact N-O 3.08Å; I97-L123 WeakPolarHBondContact CA-O 3.42Å; I97-L123 HydrophobicContact CD1-CD1 4.36Å; I97-L123 HydrophobicContact CG1-CB 4.11Å; I97-L123 HydrophobicContact CG1-CD1 3.97Å; I97-V133 HydrophobicContact CD1-CG2 4.15Å; I97-V133 HydrophobicContact CG2-CG1 4.17Å |
| 98 | S | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.6 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | G61 D100 D104 L123 | G61-S98 CarbonylContact O-C 3.56Å; G61-S98 VanDerWaalsContact O-CA 3.22Å; G61-S98 WeakPolarHBondContact O-CA 3.37Å; S98-D100 PolarHBondContact OG-N 2.86Å; S98-D104 WeakPolarHBondContact CB-OD2 3.27Å; S98-D104 WeakPolarHBondContact OG-CB 3.41Å; S98-D104 PolarHBondContact OG-OD2 3.49Å; S98-L123 PolarHBondContact N-O 3.42Å |
| 99 | V | 94.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -100.1 | 5.4 | 170.8 | -55.5 | 0 | 0 | 0 | 0 | 113 | F60 G61 P101 V139 H141 V154 H156 | F60-V99 HydrophobicContact CB-CG1 3.88Å; F60-V99 HydrophobicContact CD1-CG1 4.03Å; F60-V99 HydrophobicContact CG-CG1 4.47Å; G61-V99 WeakPolarHBondContact O-CG2 3.32Å; G61-V99 PolarHBondContact O-N 3.37Å; V99-P101 VanDerWaalsContact C-CD 3.46Å; V99-P101 WeakPolarHBondContact O-CD 3.42Å; V99-V139 HydrophobicContact CG1-CG1 4.39Å; V99-H141 HydrophobicContact CB-CB 4.03Å; V99-H141 HydrophobicContact CG2-CB 4.05Å; V99-V154 HydrophobicContact CG2-CG1 3.94Å; V99-H156 HydrophobicContact CG2-CB 4.34Å |
| 100 | D | 93.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | trans | -126.9 | 66.1 | -176.6 | -169.4 | 10.3 | 0 | 0 | 0 | 112.4 | F62 S98 A102 R103 D104 Y152 V154 | F62-D100 HydrophobicContact CB-CB 3.81Å; S98-D100 PolarHBondContact OG-N 2.86Å; D100-A102 PolarHBondContact O-N 3.39Å; D100-R103 PolarHBondContact O-N 2.83Å; D100-R103 VanDerWaalsContact O-N 3.1Å; D100-R103 IonicContact OD2-CZ 3.91Å; D100-R103 IonicContact OD2-NE 3.87Å; D100-R103 PolarHBondContact OD2-NE 2.88Å; D100-R103 IonicContact OD2-NH2 2.64Å; D100-R103 PolarHBondContact OD2-NH2 3.44Å; D100-D104 VanDerWaalsContact O-CB 3.3Å; D100-D104 WeakPolarHBondContact O-CB 3.31Å; D100-D104 PolarHBondContact O-N 3.02Å; D100-Y152 PolarHBondContact OD1-OH 2.81Å; D100-Y152 PolarHBondContact OD2-OH 3.07Å; D100-V154 HydrophobicContact CB-CG2 4.33Å | ||
| 101 | P | 93.8 | Very high | 96.5 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 21% | 0.214 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.2 | -174.6 | 27 | -35.7 | 0 | 0 | 0 | 113.9 | V99 G125 E127 V130 | V99-P101 VanDerWaalsContact C-CD 3.46Å; V99-P101 WeakPolarHBondContact O-CD 3.42Å; P101-G125 WeakPolarHBondContact CB-O 3.27Å; P101-E127 HydrophobicContact CG-CG 4Å; P101-V130 HydrophobicContact CB-CG2 4Å; P101-V130 HydrophobicContact CG-CB 4.17Å; P101-V130 HydrophobicContact CG-CG1 4.49Å; P101-V130 HydrophobicContact CG-CG2 3.94Å |
| 102 | A | 92.3 | Very high | 96.5 | Very high | 73 Ų | 73 | 30.2 Ų | 30.2 | 60% | 0.603 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -31.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D100 | D100-A102 PolarHBondContact O-N 3.39Š|
| 103 | R | 92.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 14% | 0.143 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -30.7 | 178.6 | -65.7 | -173.1 | -65.9 | -176.3 | -1.9 | 112.7 | D100 S105 I108 D151 Y152 | D100-R103 PolarHBondContact O-N 2.83Å; D100-R103 VanDerWaalsContact O-N 3.1Å; D100-R103 IonicContact OD2-CZ 3.91Å; D100-R103 IonicContact OD2-NE 3.87Å; D100-R103 PolarHBondContact OD2-NE 2.88Å; D100-R103 IonicContact OD2-NH2 2.64Å; D100-R103 PolarHBondContact OD2-NH2 3.44Å; R103-S105 PolarHBondContact O-N 2.89Å; R103-S105 VanDerWaalsContact O-N 3.14Å; R103-I108 WeakPolarHBondContact O-CD1 3.45Å; R103-D151 IonicContact CZ-OD1 2.8Å; R103-D151 IonicContact NH1-OD1 2.72Å; R103-D151 PolarHBondContact NH1-OD1 3.34Å; R103-Y152 PolarHBondContact NE-OH 3.04Å; R103-Y152 PolarHBondContact NH1-O 3.07Å; R103-Y152 VanDerWaalsContact NH2-CE2 3.26Å; R103-Y152 PolarHBondContact NH2-O 3.23Å |
| 104 | D | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -94.4 | 68.9 | -170.6 | -68.8 | -6.3 | 0 | 0 | 0 | 112.1 | F62 T63 H64 S98 D100 V109 T124 | F62-D104 VanDerWaalsContact CA-OD2 3.23Å; F62-D104 WeakPolarHBondContact CA-OD2 3.34Å; T63-D104 WeakPolarHBondContact CB-OD1 3.21Å; T63-D104 HydrophobicContact CG2-CB 4.39Å; T63-D104 PolarHBondContact N-OD1 2.97Å; T63-D104 PolarHBondContact N-OD2 2.96Å; T63-D104 PolarHBondContact OG1-OD1 3.38Å; H64-D104 IonicContact ND1-OD1 2.67Å; S98-D104 WeakPolarHBondContact CB-OD2 3.27Å; S98-D104 WeakPolarHBondContact OG-CB 3.41Å; S98-D104 PolarHBondContact OG-OD2 3.49Å; D100-D104 VanDerWaalsContact O-CB 3.3Å; D100-D104 WeakPolarHBondContact O-CB 3.31Å; D100-D104 PolarHBondContact O-N 3.02Å; D104-V109 HydrophobicContact CB-CG2 3.76Å; D104-T124 WeakPolarHBondContact O-CB 3.34Å; D104-T124 PolarHBondContact O-OG1 2.88Å | ||
| 105 | S | 95.6 | Very high | 96.3 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | trans | -65 | 156.9 | 170.7 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | R103 P107 I108 V109 | R103-S105 PolarHBondContact O-N 2.89Å; R103-S105 VanDerWaalsContact O-N 3.14Å; S105-P107 VanDerWaalsContact C-N 3.33Å; S105-I108 PolarHBondContact O-N 3.35Å; S105-I108 WeakPolarHBondContact OG-CD1 3.36Å; S105-I108 WeakPolarHBondContact OG-CG1 3.44Å; S105-V109 PolarHBondContact O-N 3.23Å | ||
| 106 | P | 97.5 | Very high | 96.2 | Very high | 37 Ų | 37 | 44.3 Ų | 44.3 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.1 | -41.4 | -179.7 | -24.4 | 31.2 | 0 | 0 | 0 | 114.7 | V39 I108 V109 K110 T124 | V39-P106 HydrophobicContact CG1-CG 4.3Å; P106-I108 PolarHBondContact O-N 2.9Å; P106-V109 PolarHBondContact O-N 3.21Å; P106-K110 WeakPolarHBondContact O-CB 3.35Å; P106-K110 PolarHBondContact O-N 3.08Å; P106-T124 HydrophobicContact CB-CG2 4.32Å; P106-T124 HydrophobicContact CG-CG2 3.76Å |
| 107 | P | 97.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 53% | 0.532 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 174.4 | -24.4 | 35.6 | 0 | 0 | 0 | 114.6 | S105 K110 Q111 | S105-P107 VanDerWaalsContact C-N 3.33Å; P107-K110 WeakPolarHBondContact O-CB 3.46Å; P107-K110 PolarHBondContact O-N 2.8Å; P107-Q111 WeakPolarHBondContact O-CG 3.33Å; P107-Q111 PolarHBondContact O-N 3.34Å; P107-Q111 VanDerWaalsContact O-N 3.15Å |
| 108 | I | 97.3 | Very high | 96 | Very high | 60 Ų | 60 | 51 Ų | 51 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.8 | -45.7 | 178.1 | -69.6 | 170.7 | 0 | 0 | 0 | 109.8 | T63 R103 S105 P106 K110 Q111 Y112 | T63-I108 HydrophobicContact CG2-CG2 4.11Å; R103-I108 WeakPolarHBondContact O-CD1 3.45Å; S105-I108 PolarHBondContact O-N 3.35Å; S105-I108 WeakPolarHBondContact OG-CD1 3.36Å; S105-I108 WeakPolarHBondContact OG-CG1 3.44Å; P106-I108 PolarHBondContact O-N 2.9Å; I108-K110 PolarHBondContact O-N 3.14Å; I108-Q111 PolarHBondContact O-N 3.01Å; I108-Y112 PolarHBondContact O-N 3.48Å |
| 109 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -38.6 | 175 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | H41 T63 F96 D104 S105 P106 Y112 V113 T124 | H41-V109 HydrophobicContact CB-CG1 4.13Å; T63-V109 HydrophobicContact CG2-CG2 4.19Å; F96-V109 HydrophobicContact CD1-CG1 4.15Å; F96-V109 HydrophobicContact CE1-CG1 4.25Å; D104-V109 HydrophobicContact CB-CG2 3.76Å; S105-V109 PolarHBondContact O-N 3.23Å; P106-V109 PolarHBondContact O-N 3.21Å; V109-Y112 PolarHBondContact O-N 2.91Å; V109-V113 HydrophobicContact CG1-CG1 4.26Å; V109-V113 WeakPolarHBondContact O-CG1 3.45Å; V109-V113 WeakPolarHBondContact O-CG2 3.4Å; V109-V113 PolarHBondContact O-N 3.46Å; V109-T124 HydrophobicContact CG2-CG2 4.34Å |
| 110 | K | 97.9 | Very high | 96.1 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 29% | 0.291 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59 | -53.9 | 176.1 | -176 | 165.1 | -178.6 | 162.9 | 0 | 112.2 | H41 N42 P106 P107 I108 Y112 V113 E114 | H41-K110 HydrophobicContact CB-CB 3.87Å; H41-K110 HydrophobicContact CB-CG 4.49Å; N42-K110 PolarHBondContact OD1-NZ 3.48Å; P106-K110 WeakPolarHBondContact O-CB 3.35Å; P106-K110 PolarHBondContact O-N 3.08Å; P107-K110 WeakPolarHBondContact O-CB 3.46Å; P107-K110 PolarHBondContact O-N 2.8Å; I108-K110 PolarHBondContact O-N 3.14Å; K110-Y112 PolarHBondContact O-N 3.12Å; K110-V113 PolarHBondContact O-N 3.02Å; K110-E114 WeakPolarHBondContact CE-OE1 3.17Å; K110-E114 HydrophobicContact CG-CG 4.27Å; K110-E114 IonicContact NZ-OE1 3.89Å; K110-E114 WeakPolarHBondContact O-CB 3.27Å; K110-E114 VanDerWaalsContact O-CG 3.28Å; K110-E114 WeakPolarHBondContact O-CG 3.38Å; K110-E114 PolarHBondContact O-N 3.39Å |
| 111 | Q | 96.7 | Very high | 96.3 | Very high | 129 Ų | 129 | 54.6 Ų | 54.6 | 60% | 0.603 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -54.9 | -44.6 | 177.8 | -72.1 | 174.5 | -16 | 0 | 0 | 110.7 | P107 I108 | P107-Q111 WeakPolarHBondContact O-CG 3.33Å; P107-Q111 PolarHBondContact O-N 3.34Å; P107-Q111 VanDerWaalsContact O-N 3.15Å; I108-Q111 PolarHBondContact O-N 3.01Å |
| 112 | Y | 97.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 53 Ų | 53 | 9% | 0.09 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -50.5 | 179.3 | -171.9 | -113.4 | 0 | 0 | 0 | 113.1 | T63 I73 F96 I108 V109 K110 E114 E115 F116 | T63-Y112 HydrophobicContact CG2-CD1 3.79Å; T63-Y112 HydrophobicContact CG2-CD2 4.42Å; T63-Y112 HydrophobicContact CG2-CG 3.72Å; T63-Y112 WeakPolarHBondContact O-CE2 3.32Å; I73-Y112 HydrophobicContact CD1-CE1 3.6Å; F96-Y112 HydrophobicContact CE1-CD1 4.12Å; F96-Y112 HydrophobicContact CE1-CE1 4.36Å; F96-Y112 HydrophobicContact CE2-CE1 4.23Å; F96-Y112 HydrophobicContact CZ-CD1 4.23Å; F96-Y112 HydrophobicContact CZ-CE1 4.03Å; I108-Y112 PolarHBondContact O-N 3.48Å; V109-Y112 PolarHBondContact O-N 2.91Å; K110-Y112 PolarHBondContact O-N 3.12Å; Y112-E114 PolarHBondContact O-N 3.16Å; Y112-E115 PolarHBondContact O-N 3.27Å; Y112-F116 HydrophobicContact CD1-CE2 4.09Å; Y112-F116 HydrophobicContact CD2-CE2 4.13Å; Y112-F116 AromaticContact CE1-CE2 3.83Å; Y112-F116 HydrophobicContact CE1-CE2 3.83Å; Y112-F116 HydrophobicContact CE1-CZ 4.33Å; Y112-F116 AromaticContact CE2-CE2 3.87Å; Y112-F116 HydrophobicContact CE2-CE2 3.87Å; Y112-F116 HydrophobicContact CE2-CZ 4.07Å; Y112-F116 HydrophobicContact CG-CE2 4.24Å; Y112-F116 AromaticContact CZ-CE2 3.71Å; Y112-F116 AromaticContact CZ-CZ 3.84Å; Y112-F116 WeakPolarHBondContact O-CD2 3.38Å; Y112-F116 VanDerWaalsContact O-CE2 3.25Å; Y112-F116 WeakPolarHBondContact O-CE2 3.45Å |
| 113 | V | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72 | -28.5 | -175.6 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | H41 F96 V109 K110 E115 F116 S117 L120 | H41-V113 HydrophobicContact CB-CG2 4.46Å; F96-V113 HydrophobicContact CB-CG1 4.2Å; F96-V113 HydrophobicContact CD1-CG1 3.92Å; F96-V113 HydrophobicContact CG-CG1 4.35Å; V109-V113 HydrophobicContact CG1-CG1 4.26Å; V109-V113 WeakPolarHBondContact O-CG1 3.45Å; V109-V113 WeakPolarHBondContact O-CG2 3.4Å; V109-V113 PolarHBondContact O-N 3.46Å; K110-V113 PolarHBondContact O-N 3.02Å; V113-E115 PolarHBondContact O-N 3.41Å; V113-F116 PolarHBondContact O-N 2.74Å; V113-S117 PolarHBondContact O-N 2.92Å; V113-L120 HydrophobicContact CB-CB 4.42Å; V113-L120 HydrophobicContact CB-CD2 3.7Å; V113-L120 HydrophobicContact CB-CG 3.91Å; V113-L120 HydrophobicContact CG1-CD2 3.78Å; V113-L120 HydrophobicContact CG1-CG 4.01Å |
| 114 | E | 96.3 | Very high | 97.1 | Very high | 114 Ų | 114 | 48 Ų | 48 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -23.3 | 178.1 | -77.6 | 178.9 | 164.7 | 0 | 0 | 112.7 | K110 Y112 F116 | K110-E114 WeakPolarHBondContact CE-OE1 3.17Å; K110-E114 HydrophobicContact CG-CG 4.27Å; K110-E114 IonicContact NZ-OE1 3.89Å; K110-E114 WeakPolarHBondContact O-CB 3.27Å; K110-E114 VanDerWaalsContact O-CG 3.28Å; K110-E114 WeakPolarHBondContact O-CG 3.38Å; K110-E114 PolarHBondContact O-N 3.39Å; Y112-E114 PolarHBondContact O-N 3.16Å; E114-F116 VanDerWaalsContact C-N 3.31Å; E114-F116 PolarHBondContact O-N 3.04Å |
| 115 | E | 96.1 | Very high | 97.1 | Very high | 156 Ų | 156 | 48.7 Ų | 48.7 | 73% | 0.729 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -25 | 175.6 | -68 | 176.4 | -170 | 0 | 0 | 113 | Y112 V113 | Y112-E115 PolarHBondContact O-N 3.27Å; V113-E115 PolarHBondContact O-N 3.41Å |
| 116 | F | 97 | Very high | 97.1 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 23% | 0.232 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -51.7 | -174.5 | -62.6 | -86 | 0 | 0 | 0 | 113.3 | P70 I73 Y112 V113 E114 L120 | P70-F116 HydrophobicContact CB-CE1 4.08Å; P70-F116 HydrophobicContact CB-CZ 4.11Å; I73-F116 HydrophobicContact CB-CD1 4.17Å; I73-F116 HydrophobicContact CB-CE1 4.16Å; I73-F116 HydrophobicContact CB-CG 4.5Å; I73-F116 HydrophobicContact CB-CZ 4.48Å; I73-F116 HydrophobicContact CD1-CE2 4.48Å; I73-F116 HydrophobicContact CD1-CZ 4.47Å; I73-F116 HydrophobicContact CG2-CB 3.97Å; I73-F116 HydrophobicContact CG2-CD1 3.65Å; I73-F116 HydrophobicContact CG2-CD2 3.87Å; I73-F116 HydrophobicContact CG2-CE1 4.07Å; I73-F116 HydrophobicContact CG2-CE2 4.28Å; I73-F116 HydrophobicContact CG2-CG 3.54Å; I73-F116 HydrophobicContact CG2-CZ 4.37Å; Y112-F116 HydrophobicContact CD1-CE2 4.09Å; Y112-F116 HydrophobicContact CD2-CE2 4.13Å; Y112-F116 AromaticContact CE1-CE2 3.83Å; Y112-F116 HydrophobicContact CE1-CE2 3.83Å; Y112-F116 HydrophobicContact CE1-CZ 4.33Å; Y112-F116 AromaticContact CE2-CE2 3.87Å; Y112-F116 HydrophobicContact CE2-CE2 3.87Å; Y112-F116 HydrophobicContact CE2-CZ 4.07Å; Y112-F116 HydrophobicContact CG-CE2 4.24Å; Y112-F116 AromaticContact CZ-CE2 3.71Å; Y112-F116 AromaticContact CZ-CZ 3.84Å; Y112-F116 WeakPolarHBondContact O-CD2 3.38Å; Y112-F116 VanDerWaalsContact O-CE2 3.25Å; Y112-F116 WeakPolarHBondContact O-CE2 3.45Å; V113-F116 PolarHBondContact O-N 2.74Å; E114-F116 VanDerWaalsContact C-N 3.31Å; E114-F116 PolarHBondContact O-N 3.04Å; F116-L120 HydrophobicContact CB-CD2 3.89Å; F116-L120 HydrophobicContact CD2-CD2 4.16Å; F116-L120 HydrophobicContact CG-CD2 4.28Å |
| 117 | S | 96.2 | Very high | 97 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | trans | -164.8 | 139.3 | -177 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | V113 N119 L120 | V113-S117 PolarHBondContact O-N 2.92Å; S117-N119 PolarHBondContact O-N 2.94Å; S117-N119 VanDerWaalsContact O-N 3.09Å; S117-N119 PolarHBondContact OG-N 3.38Å; S117-L120 WeakPolarHBondContact O-CB 3.48Å; S117-L120 PolarHBondContact O-N 3.39Å | ||
| 118 | P | 95.6 | Very high | 96.9 | Very high | 131 Ų | 131 | 58.8 Ų | 58.8 | 85% | 0.851 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.7 | 171.3 | 28.8 | -36.5 | 0 | 0 | 0 | 113.3 | ||
| 119 | N | 95.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -8.3 | 177.7 | -63.1 | -48.3 | 0 | 0 | 0 | 113.2 | R84 S117 | R84-N119 VanDerWaalsContact NH2-CG 3.34Å; R84-N119 PolarHBondContact NH2-OD1 3.2Å; S117-N119 PolarHBondContact O-N 2.94Å; S117-N119 VanDerWaalsContact O-N 3.09Å; S117-N119 PolarHBondContact OG-N 3.38Å |
| 120 | L | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -78.3 | 122.1 | 178.7 | -179.4 | 62.9 | 0 | 0 | 0 | 109.9 | I73 M76 P94 F96 V113 F116 S117 | I73-L120 HydrophobicContact CG2-CD1 4.48Å; I73-L120 HydrophobicContact CG2-CD2 3.41Å; I73-L120 VanDerWaalsContact CG2-CD2 3.41Å; M76-L120 HydrophobicContact CE-CD1 3.71Å; P94-L120 HydrophobicContact CB-CD1 3.94Å; P94-L120 HydrophobicContact CG-CD1 4.35Å; F96-L120 HydrophobicContact CB-CD1 4.15Å; V113-L120 HydrophobicContact CB-CB 4.42Å; V113-L120 HydrophobicContact CB-CD2 3.7Å; V113-L120 HydrophobicContact CB-CG 3.91Å; V113-L120 HydrophobicContact CG1-CD2 3.78Å; V113-L120 HydrophobicContact CG1-CG 4.01Å; F116-L120 HydrophobicContact CB-CD2 3.89Å; F116-L120 HydrophobicContact CD2-CD2 4.16Å; F116-L120 HydrophobicContact CG-CD2 4.28Å; S117-L120 WeakPolarHBondContact O-CB 3.48Å; S117-L120 PolarHBondContact O-N 3.39Å | ||
| 121 | V | 98.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111.7 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | D40 I93 P94 L95 F96 L123 | D40-V121 HydrophobicContact CB-CG1 4.46Å; I93-V121 HydrophobicContact CG2-CG2 4.19Å; P94-V121 PolarHBondContact O-N 2.8Å; L95-V121 WeakPolarHBondContact CA-O 3.37Å; L95-V121 HydrophobicContact CD2-CB 3.62Å; L95-V121 HydrophobicContact CD2-CG1 4.3Å; L95-V121 HydrophobicContact CD2-CG2 4.1Å; F96-V121 PolarHBondContact N-O 3.33Å; V121-L123 HydrophobicContact CG1-CD2 4.45Å; V121-L123 HydrophobicContact CG1-CG 4.47Å |
| 122 | G | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 135 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D40 H41 F96 | D40-G122 CarbonylContact C-O 3.56Å; D40-G122 WeakPolarHBondContact CA-O 3.4Å; H41-G122 PolarHBondContact N-O 2.89Å; H41-G122 PolarHBondContact ND1-N 3.18Å; H41-G122 VanDerWaalsContact ND1-N 3.13Å; H41-G122 PolarHBondContact ND1-O 3.21Å; H41-G122 VanDerWaalsContact ND1-O 3.12Å; F96-G122 CarbonylContact O-C 3.57Å; F96-G122 WeakPolarHBondContact O-CA 3.44Å |
| 123 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.9 | 177.2 | -65.5 | 168.1 | 0 | 0 | 0 | 109.6 | W36 L38 V39 D40 T46 L95 F96 I97 S98 V121 | W36-L123 HydrophobicContact CH2-CD1 3.76Å; W36-L123 HydrophobicContact CZ3-CD1 3.88Å; L38-L123 HydrophobicContact CD1-CB 3.99Å; L38-L123 HydrophobicContact CD1-CD1 4.34Å; V39-L123 WeakPolarHBondContact O-CA 3.48Å; D40-L123 HydrophobicContact CB-CD2 4.02Å; T46-L123 HydrophobicContact CG2-CD2 3.8Å; L95-L123 HydrophobicContact CB-CD1 4.41Å; L95-L123 HydrophobicContact CD1-CD1 4.15Å; F96-L123 PolarHBondContact O-N 3.48Å; I97-L123 WeakPolarHBondContact CA-O 3.42Å; I97-L123 HydrophobicContact CD1-CD1 4.36Å; I97-L123 HydrophobicContact CG1-CB 4.11Å; I97-L123 HydrophobicContact CG1-CD1 3.97Å; S98-L123 PolarHBondContact N-O 3.42Å; V121-L123 HydrophobicContact CG1-CD2 4.45Å; V121-L123 HydrophobicContact CG1-CG 4.47Å |
| 124 | T | 97.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | -177 | 174.6 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | L38 V39 D104 P106 V109 | L38-T124 WeakPolarHBondContact CB-O 3.47Å; V39-T124 PolarHBondContact N-O 3.05Å; V39-T124 PolarHBondContact O-N 3.03Å; V39-T124 VanDerWaalsContact O-O 3.1Å; D104-T124 WeakPolarHBondContact O-CB 3.34Å; D104-T124 PolarHBondContact O-OG1 2.88Å; P106-T124 HydrophobicContact CB-CG2 4.32Å; P106-T124 HydrophobicContact CG-CG2 3.76Å; V109-T124 HydrophobicContact CG2-CG2 4.34Å |
| 125 | G | 96.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -171.7 | -169.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P101 | P101-G125 WeakPolarHBondContact CB-O 3.27Š| ||
| 126 | N | 96 | Very high | 95.7 | Very high | 83 Ų | 83 | 50.8 Ų | 50.8 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | trans | -77 | 168.9 | 164 | 66.9 | 45.2 | 0 | 0 | 0 | 110.9 | E128 Q129 V130 | N126-E128 VanDerWaalsContact C-N 3.29Å; N126-E128 PolarHBondContact O-N 3.33Å; N126-E128 WeakPolarHBondContact OD1-CB 3.32Å; N126-E128 PolarHBondContact OD1-N 2.88Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å; N126-Q129 PolarHBondContact ND2-OE1 2.89Å; N126-Q129 PolarHBondContact O-N 2.83Å; N126-Q129 VanDerWaalsContact O-N 3.14Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.33Å; N126-Q129 PolarHBondContact OD1-N 3.03Å; N126-V130 PolarHBondContact O-N 2.97Å | ||
| 127 | E | 94.2 | Very high | 95.5 | Very high | 141 Ų | 141 | 48.4 Ų | 48.4 | 66% | 0.659 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -52.8 | -43.5 | -179.3 | -68 | -179.4 | 178.6 | 0 | 0 | 113 | P101 Q129 V130 D131 | P101-E127 HydrophobicContact CG-CG 4Å; E127-Q129 PolarHBondContact O-N 3.24Å; E127-V130 PolarHBondContact O-N 2.97Å; E127-D131 VanDerWaalsContact O-CB 3.27Å; E127-D131 WeakPolarHBondContact O-CB 3.43Å; E127-D131 PolarHBondContact O-N 3.3Å |
| 128 | E | 95.5 | Very high | 95.1 | Very high | 157 Ų | 157 | 55.5 Ų | 55.5 | 73% | 0.734 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 179.9 | -174.1 | -175.2 | 171.6 | 0 | 0 | 112.1 | N126 K132 | N126-E128 VanDerWaalsContact C-N 3.29Å; N126-E128 PolarHBondContact O-N 3.33Å; N126-E128 WeakPolarHBondContact OD1-CB 3.32Å; N126-E128 PolarHBondContact OD1-N 2.88Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å; E128-K132 WeakPolarHBondContact O-CB 3.41Å; E128-K132 PolarHBondContact O-N 2.9Å |
| 129 | Q | 96.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 178.4 | -70 | 174 | -56 | 0 | 0 | 111.6 | D37 L38 N126 E127 K132 V133 | D37-Q129 WeakPolarHBondContact O-CB 3.33Å; D37-Q129 WeakPolarHBondContact O-CG 3.2Å; D37-Q129 PolarHBondContact O-NE2 3.36Å; D37-Q129 VanDerWaalsContact O-NE2 3.08Å; L38-Q129 HydrophobicContact CD2-CB 3.98Å; N126-Q129 PolarHBondContact ND2-OE1 2.89Å; N126-Q129 PolarHBondContact O-N 2.83Å; N126-Q129 VanDerWaalsContact O-N 3.14Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.33Å; N126-Q129 PolarHBondContact OD1-N 3.03Å; E127-Q129 PolarHBondContact O-N 3.24Å; Q129-K132 PolarHBondContact O-N 3.12Å; Q129-V133 PolarHBondContact O-N 3.22Å; Q129-V133 VanDerWaalsContact O-N 3.16Å |
| 130 | V | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 178 | 173 | 0 | 0 | 0 | 0 | 110.6 | P101 N126 E127 K132 V133 C134 | P101-V130 HydrophobicContact CB-CG2 4Å; P101-V130 HydrophobicContact CG-CB 4.17Å; P101-V130 HydrophobicContact CG-CG1 4.49Å; P101-V130 HydrophobicContact CG-CG2 3.94Å; N126-V130 PolarHBondContact O-N 2.97Å; E127-V130 PolarHBondContact O-N 2.97Å; V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.48Å; V130-V133 WeakPolarHBondContact O-CG1 3.18Å; V130-V133 PolarHBondContact O-N 2.74Å; V130-C134 WeakPolarHBondContact O-CB 3.36Å; V130-C134 PolarHBondContact O-N 3.16Å; V130-C134 PolarHBondContact O-SG 2.87Å; V130-C134 VanDerWaalsContact O-SG 3.33Å |
| 131 | D | 93.1 | Very high | 93.1 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.5 | -42.7 | 176.1 | -97.1 | 24.4 | 0 | 0 | 0 | 112.3 | E127 K135 H141 | E127-D131 VanDerWaalsContact O-CB 3.27Å; E127-D131 WeakPolarHBondContact O-CB 3.43Å; E127-D131 PolarHBondContact O-N 3.3Å; D131-K135 WeakPolarHBondContact O-CB 3.4Å; D131-K135 WeakPolarHBondContact O-CD 3.29Å; D131-K135 VanDerWaalsContact O-CG 3.22Å; D131-K135 WeakPolarHBondContact O-CG 3.48Å; D131-K135 PolarHBondContact O-N 3.39Å; D131-K135 IonicContact OD2-NZ 2.77Å; D131-K135 PolarHBondContact OD2-NZ 3.49Å; D131-H141 IonicContact OD1-CE1 2.75Å; D131-H141 PolarHBondContact OD1-CE1 3.45Å; D131-H141 IonicContact OD1-NE2 2.65Å |
| 132 | K | 94.7 | Very high | 92.4 | Very high | 103 Ų | 103 | 57.1 Ų | 57.1 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 179.8 | -179.4 | -175.4 | 173.5 | -169.5 | 0 | 111.1 | D37 E128 Q129 V130 K135 A136 | D37-K132 IonicContact OD2-NZ 3.67Å; D37-K132 PolarHBondContact OD2-NZ 3.39Å; D37-K132 VanDerWaalsContact OD2-NZ 3.12Å; E128-K132 WeakPolarHBondContact O-CB 3.41Å; E128-K132 PolarHBondContact O-N 2.9Å; Q129-K132 PolarHBondContact O-N 3.12Å; V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.48Å; K132-K135 PolarHBondContact O-N 3.16Å; K132-A136 WeakPolarHBondContact O-CB 3.4Å; K132-A136 PolarHBondContact O-N 2.75Å |
| 133 | V | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.1 | -40 | 179.5 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | W36 L38 F60 I97 Q129 V130 K135 A136 F137 | W36-V133 HydrophobicContact CB-CB 3.84Å; W36-V133 HydrophobicContact CB-CG2 3.73Å; W36-V133 HydrophobicContact CG-CB 4.39Å; W36-V133 HydrophobicContact CG-CG2 3.75Å; L38-V133 HydrophobicContact CD1-CG1 4.35Å; L38-V133 HydrophobicContact CD2-CG1 4.4Å; F60-V133 HydrophobicContact CE1-CG1 4.2Å; F60-V133 HydrophobicContact CE1-CG2 3.93Å; F60-V133 HydrophobicContact CZ-CG2 4.04Å; I97-V133 HydrophobicContact CD1-CG2 4.15Å; I97-V133 HydrophobicContact CG2-CG1 4.17Å; Q129-V133 PolarHBondContact O-N 3.22Å; Q129-V133 VanDerWaalsContact O-N 3.16Å; V130-V133 WeakPolarHBondContact O-CG1 3.18Å; V130-V133 PolarHBondContact O-N 2.74Å; V133-K135 VanDerWaalsContact C-N 3.34Å; V133-K135 PolarHBondContact O-N 3.37Å; V133-A136 PolarHBondContact O-N 3.1Å; V133-F137 HydrophobicContact CG2-CD2 3.88Å; V133-F137 HydrophobicContact CG2-CE2 4.01Å; V133-F137 WeakPolarHBondContact O-CD2 3.41Å; V133-F137 PolarHBondContact O-N 3.39Å |
| 134 | C | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 174.8 | -73.8 | 0 | 0 | 0 | 0 | 111.5 | V130 F137 R138 V139 H141 | V130-C134 WeakPolarHBondContact O-CB 3.36Å; V130-C134 PolarHBondContact O-N 3.16Å; V130-C134 PolarHBondContact O-SG 2.87Å; V130-C134 VanDerWaalsContact O-SG 3.33Å; C134-F137 CarbonylContact O-C 3.54Å; C134-F137 PolarHBondContact O-N 3.2Å; C134-R138 CarbonylContact O-C 3.56Å; C134-R138 WeakPolarHBondContact O-CA 3.05Å; C134-R138 PolarHBondContact O-N 2.86Å; C134-V139 HydrophobicContact CB-CB 4.29Å; C134-V139 PolarHBondContact O-N 3.23Å; C134-H141 VanDerWaalsContact SG-CD2 3.56Å |
| 135 | K | 91.8 | Very high | 89.4 | Confident | 147 Ų | 147 | 70.6 Ų | 70.6 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 175.3 | -74.2 | 165.6 | -171.7 | 154.6 | 0 | 112.5 | D131 K132 V133 F137 R138 | D131-K135 WeakPolarHBondContact O-CB 3.4Å; D131-K135 WeakPolarHBondContact O-CD 3.29Å; D131-K135 VanDerWaalsContact O-CG 3.22Å; D131-K135 WeakPolarHBondContact O-CG 3.48Å; D131-K135 PolarHBondContact O-N 3.39Å; D131-K135 IonicContact OD2-NZ 2.77Å; D131-K135 PolarHBondContact OD2-NZ 3.49Å; K132-K135 PolarHBondContact O-N 3.16Å; V133-K135 VanDerWaalsContact C-N 3.34Å; V133-K135 PolarHBondContact O-N 3.37Å; K135-F137 VanDerWaalsContact C-N 3.28Å; K135-F137 PolarHBondContact O-N 2.89Å; K135-R138 PolarHBondContact O-N 3.15Å |
| 136 | A | 92.5 | Very high | 88.4 | Confident | 22 Ų | 22 | 75.8 Ų | 75.8 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | G33 K132 V133 | G33-A136 PolarHBondContact N-O 2.65Å; K132-A136 WeakPolarHBondContact O-CB 3.4Å; K132-A136 PolarHBondContact O-N 2.75Å; V133-A136 PolarHBondContact O-N 3.1Å |
| 137 | F | 92.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -91.5 | -4.4 | 177.4 | -77 | -101.2 | 0 | 0 | 0 | 114 | I32 W36 I58 F60 V133 C134 K135 V139 Y161 I163 | I32-F137 HydrophobicContact CG2-CD1 4.47Å; W36-F137 AromaticContact CD1-CE2 3.86Å; W36-F137 AromaticContact NE1-CE2 3.96Å; I58-F137 HydrophobicContact CD1-CE1 4.1Å; I58-F137 HydrophobicContact CD1-CZ 3.81Å; F60-F137 HydrophobicContact CE2-CB 3.9Å; F60-F137 AromaticContact CE2-CD1 3.84Å; F60-F137 HydrophobicContact CE2-CD1 3.84Å; F60-F137 HydrophobicContact CE2-CD2 4.37Å; F60-F137 HydrophobicContact CE2-CE1 4.43Å; F60-F137 AromaticContact CE2-CG 3.79Å; F60-F137 HydrophobicContact CE2-CG 3.79Å; F60-F137 HydrophobicContact CZ-CB 3.73Å; F60-F137 HydrophobicContact CZ-CD1 4.02Å; F60-F137 AromaticContact CZ-CD2 3.71Å; F60-F137 HydrophobicContact CZ-CD2 3.71Å; F60-F137 HydrophobicContact CZ-CE2 4.31Å; F60-F137 AromaticContact CZ-CG 3.54Å; F60-F137 HydrophobicContact CZ-CG 3.54Å; V133-F137 HydrophobicContact CG2-CD2 3.88Å; V133-F137 HydrophobicContact CG2-CE2 4.01Å; V133-F137 WeakPolarHBondContact O-CD2 3.41Å; V133-F137 PolarHBondContact O-N 3.39Å; C134-F137 CarbonylContact O-C 3.54Å; C134-F137 PolarHBondContact O-N 3.2Å; K135-F137 VanDerWaalsContact C-N 3.28Å; K135-F137 PolarHBondContact O-N 2.89Å; F137-V139 HydrophobicContact CB-CG2 3.8Å; F137-V139 PolarHBondContact O-N 2.87Å; F137-Y161 HydrophobicContact CB-CE1 4.5Å; F137-Y161 HydrophobicContact CB-CE2 4.49Å; F137-Y161 AromaticContact CD1-CD1 3.79Å; F137-Y161 HydrophobicContact CD1-CD1 3.79Å; F137-Y161 HydrophobicContact CD1-CD2 4Å; F137-Y161 HydrophobicContact CD1-CE1 4.02Å; F137-Y161 HydrophobicContact CD1-CE2 4.21Å; F137-Y161 AromaticContact CD1-CG 3.78Å; F137-Y161 HydrophobicContact CD1-CG 3.78Å; F137-Y161 HydrophobicContact CE1-CD1 4.35Å; F137-Y161 HydrophobicContact CE1-CG 4.12Å; F137-Y161 PolarHBondContact O-OH 2.9Å; F137-I163 HydrophobicContact CE1-CD1 3.82Å; F137-I163 HydrophobicContact CE1-CG1 4.27Å; F137-I163 HydrophobicContact CZ-CD1 4.14Å; F137-I163 HydrophobicContact CZ-CG1 4.36Å |
| 138 | R | 87.8 | Confident | 86.4 | Confident | 160 Ų | 160 | 77 Ų | 77 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 33.8 | -172.4 | -53.3 | 179.7 | 174.1 | -155.7 | -5.8 | 113 | C134 K135 Y140 | C134-R138 CarbonylContact O-C 3.56Å; C134-R138 WeakPolarHBondContact O-CA 3.05Å; C134-R138 PolarHBondContact O-N 2.86Å; K135-R138 PolarHBondContact O-N 3.15Å; R138-Y140 PolarHBondContact O-N 3.13Å |
| 139 | V | 87.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 6% | 0.055 | 38% | 0.379 | C | S | . | . | trans | -75.5 | 116.7 | 172.8 | 174.4 | 0 | 0 | 0 | 0 | 107.3 | F60 V99 C134 F137 Y161 | F60-V139 HydrophobicContact CB-CG1 3.91Å; F60-V139 HydrophobicContact CB-CG2 4.2Å; F60-V139 HydrophobicContact CD1-CB 4.44Å; F60-V139 HydrophobicContact CD1-CG1 4.32Å; F60-V139 HydrophobicContact CD1-CG2 4Å; F60-V139 HydrophobicContact CD2-CG2 3.55Å; F60-V139 HydrophobicContact CE1-CG2 4.22Å; F60-V139 HydrophobicContact CE2-CG2 3.79Å; F60-V139 HydrophobicContact CG-CB 4.37Å; F60-V139 HydrophobicContact CG-CG1 4.11Å; F60-V139 HydrophobicContact CG-CG2 3.65Å; F60-V139 HydrophobicContact CZ-CG2 4.13Å; V99-V139 HydrophobicContact CG1-CG1 4.39Å; C134-V139 HydrophobicContact CB-CB 4.29Å; C134-V139 PolarHBondContact O-N 3.23Å; F137-V139 HydrophobicContact CB-CG2 3.8Å; F137-V139 PolarHBondContact O-N 2.87Å; V139-Y161 HydrophobicContact CG2-CE2 3.95Å; V139-Y161 WeakPolarHBondContact CG2-OH 3.38Å | ||
| 140 | Y | 81.5 | Confident | 84.5 | Confident | 145 Ų | 145 | 78.9 Ų | 78.9 | 57% | 0.569 | 40% | 0.395 | S | S | * | . | trans | -73.9 | 132.8 | 165.8 | -179.5 | -97.1 | 0 | 0 | 0 | 108.6 | R138 S142 D155 H156 T157 | R138-Y140 PolarHBondContact O-N 3.13Å; Y140-S142 WeakPolarHBondContact OH-CB 3.48Å; Y140-D155 HydrophobicContact CE1-CB 4.23Å; Y140-H156 WeakPolarHBondContact O-CA 3.43Å; Y140-T157 PolarHBondContact N-OG1 3.34Å; Y140-T157 VanDerWaalsContact N-OG1 3.16Å; Y140-T157 PolarHBondContact O-N 2.85Å | ||
| 141 | H | 79.9 | Confident | 83.4 | Confident | 56 Ų | 56 | 82 Ų | 82 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.3 | 168.2 | 62.3 | 104.7 | 0 | 0 | 0 | 109.1 | V99 D131 C134 V154 D155 | V99-H141 HydrophobicContact CB-CB 4.03Å; V99-H141 HydrophobicContact CG2-CB 4.05Å; D131-H141 IonicContact OD1-CE1 2.75Å; D131-H141 PolarHBondContact OD1-CE1 3.45Å; D131-H141 IonicContact OD1-NE2 2.65Å; C134-H141 VanDerWaalsContact SG-CD2 3.56Å; H141-V154 HydrophobicContact CB-CG1 4.12Å; H141-D155 CarbonylContact C-O 3.5Å; H141-D155 WeakPolarHBondContact CA-O 3.47Å |
| 142 | S | 81.8 | Confident | 82.8 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 128.9 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | Y140 G144 V154 D155 | Y140-S142 WeakPolarHBondContact OH-CB 3.48Å; S142-G144 PolarHBondContact O-N 2.9Å; S142-V154 CarbonylContact O-C 3.54Å; S142-V154 WeakPolarHBondContact O-CA 3.44Å; S142-D155 PolarHBondContact N-O 2.79Å; S142-D155 PolarHBondContact O-N 3.12Å |
| 143 | A | 78.6 | Confident | 81.8 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 50% | 0.496 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y152 | A143-Y152 HydrophobicContact CB-CD2 3.7Å; A143-Y152 HydrophobicContact CB-CE2 3.86Å; A143-Y152 HydrophobicContact CB-CG 4.44Å |
| 144 | G | 77.2 | Confident | 80.8 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | trans | -70.6 | 179.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S142 I153 | S142-G144 PolarHBondContact O-N 2.9Å; G144-I153 PolarHBondContact N-O 2.81Å | ||
| 145 | Q | 76.3 | Confident | 79.9 | Confident | 193 Ų | 193 | 86.4 Ų | 86.4 | 90% | 0.902 | 44% | 0.437 | S | S | * | . | trans | -64.1 | 141.8 | 170.8 | -68.6 | -173.4 | -25 | 0 | 0 | 110 | ||||
| 146 | K | 75.1 | Confident | 79.2 | Confident | 125 Ų | 125 | 80.7 Ų | 80.7 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | trans | -70.4 | 139.8 | 175.1 | -60.5 | -168 | 178.9 | -175.9 | 0 | 110.8 | N150 D151 Y152 | K146-N150 WeakPolarHBondContact CD-OD1 3.22Å; K146-N150 PolarHBondContact NZ-OD1 3.02Å; K146-D151 CarbonylContact C-O 3.5Å; K146-D151 WeakPolarHBondContact CA-O 3.44Å; K146-Y152 HydrophobicContact CG-CD1 4.49Å | ||
| 147 | D | 76.8 | Confident | 78.7 | Confident | 85 Ų | 85 | 81.4 Ų | 81.4 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | trans | -81.2 | -171.9 | 174.2 | 70 | 13.7 | 0 | 0 | 0 | 112.3 | D149 N150 D151 | D147-D149 PolarHBondContact O-N 3.13Å; D147-D149 WeakPolarHBondContact OD1-CA 3.38Å; D147-D149 PolarHBondContact OD1-N 3.09Å; D147-N150 PolarHBondContact O-N 2.77Å; D147-N150 VanDerWaalsContact O-N 3.12Å; D147-N150 PolarHBondContact OD1-N 2.9Å; D147-N150 VanDerWaalsContact OD1-N 3.08Å; D147-D151 PolarHBondContact N-O 2.91Å; D147-D151 PolarHBondContact OD1-N 2.76Å | ||
| 148 | I | 72.6 | Confident | 78.4 | Confident | 165 Ų | 165 | 83.7 Ų | 83.7 | 85% | 0.846 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.3 | -178.6 | -158.7 | 163.1 | 0 | 0 | 0 | 112.9 | N150 | I148-N150 VanDerWaalsContact C-N 3.31Š|
| 149 | D | 76.4 | Confident | 78.6 | Confident | 137 Ų | 137 | 77.7 Ų | 77.7 | 73% | 0.733 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 8.8 | 178.9 | -62.9 | -41.5 | 0 | 0 | 0 | 111.7 | D147 D151 | D147-D149 PolarHBondContact O-N 3.13Å; D147-D149 WeakPolarHBondContact OD1-CA 3.38Å; D147-D149 PolarHBondContact OD1-N 3.09Å; D149-D151 PolarHBondContact O-N 3.23Å |
| 150 | N | 74.7 | Confident | 79.1 | Confident | 108 Ų | 108 | 77.4 Ų | 77.4 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 63.5 | 23.9 | -178.7 | -178.5 | 71.5 | 0 | 0 | 0 | 113.2 | K146 D147 I148 | K146-N150 WeakPolarHBondContact CD-OD1 3.22Å; K146-N150 PolarHBondContact NZ-OD1 3.02Å; D147-N150 PolarHBondContact O-N 2.77Å; D147-N150 VanDerWaalsContact O-N 3.12Å; D147-N150 PolarHBondContact OD1-N 2.9Å; D147-N150 VanDerWaalsContact OD1-N 3.08Å; I148-N150 VanDerWaalsContact C-N 3.31Å |
| 151 | D | 73.2 | Confident | 79.8 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | trans | -94.5 | 159.8 | 173.7 | -162.9 | 20.7 | 0 | 0 | 0 | 111.9 | R103 K146 D147 D149 | R103-D151 IonicContact CZ-OD1 2.8Å; R103-D151 IonicContact NH1-OD1 2.72Å; R103-D151 PolarHBondContact NH1-OD1 3.34Å; K146-D151 CarbonylContact C-O 3.5Å; K146-D151 WeakPolarHBondContact CA-O 3.44Å; D147-D151 PolarHBondContact N-O 2.91Å; D147-D151 PolarHBondContact OD1-N 2.76Å; D149-D151 PolarHBondContact O-N 3.23Å | ||
| 152 | Y | 79.7 | Confident | 80.6 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | trans | -147.2 | 151.5 | 180 | 61.9 | -88.5 | 0 | 0 | 0 | 113.6 | D100 R103 A143 K146 V154 | D100-Y152 PolarHBondContact OD1-OH 2.81Å; D100-Y152 PolarHBondContact OD2-OH 3.07Å; R103-Y152 PolarHBondContact NE-OH 3.04Å; R103-Y152 PolarHBondContact NH1-O 3.07Å; R103-Y152 VanDerWaalsContact NH2-CE2 3.26Å; R103-Y152 PolarHBondContact NH2-O 3.23Å; A143-Y152 HydrophobicContact CB-CD2 3.7Å; A143-Y152 HydrophobicContact CB-CE2 3.86Å; A143-Y152 HydrophobicContact CB-CG 4.44Å; K146-Y152 HydrophobicContact CG-CD1 4.49Å; Y152-V154 HydrophobicContact CD2-CG2 4.05Å; Y152-V154 HydrophobicContact CE2-CG2 3.81Å | ||
| 153 | I | 73.3 | Confident | 81.4 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 54% | 0.544 | 35% | 0.353 | S | S | . | . | trans | -96.2 | 141.4 | 171.6 | -60.7 | 177.3 | 0 | 0 | 0 | 108.8 | F62 G144 | F62-I153 HydrophobicContact CZ-CG2 4.2Å; G144-I153 PolarHBondContact N-O 2.81Å | ||
| 154 | V | 74.4 | Confident | 82.2 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.5 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | F62 V99 D100 H141 S142 Y152 H156 | F62-V154 HydrophobicContact CD1-CB 3.84Å; F62-V154 HydrophobicContact CD1-CG2 4.47Å; F62-V154 HydrophobicContact CE1-CB 3.8Å; F62-V154 VanDerWaalsContact CE1-O 3.24Å; F62-V154 WeakPolarHBondContact CE1-O 3.44Å; F62-V154 HydrophobicContact CG-CB 4.29Å; F62-V154 HydrophobicContact CG-CG2 4.43Å; F62-V154 HydrophobicContact CZ-CB 4.19Å; V99-V154 HydrophobicContact CG2-CG1 3.94Å; D100-V154 HydrophobicContact CB-CG2 4.33Å; H141-V154 HydrophobicContact CB-CG1 4.12Å; S142-V154 CarbonylContact O-C 3.54Å; S142-V154 WeakPolarHBondContact O-CA 3.44Å; Y152-V154 HydrophobicContact CD2-CG2 4.05Å; Y152-V154 HydrophobicContact CE2-CG2 3.81Å; V154-H156 PolarHBondContact O-N 3.08Å |
| 155 | D | 75.3 | Confident | 83.1 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116 | 167.7 | -75.7 | -32.4 | 0 | 0 | 0 | 108.6 | Y140 H141 S142 | Y140-D155 HydrophobicContact CE1-CB 4.23Å; H141-D155 CarbonylContact C-O 3.5Å; H141-D155 WeakPolarHBondContact CA-O 3.47Å; S142-D155 PolarHBondContact N-O 2.79Å; S142-D155 PolarHBondContact O-N 3.12Å |
| 156 | H | 77.3 | Confident | 83.9 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 166 | 179.8 | 72.2 | -72.7 | 0 | 0 | 0 | 114 | Y59 F60 F62 C69 V99 Y140 V154 I158 | Y59-H156 AromaticContact CZ-NE2 3.83Å; Y59-H156 PolarHBondContact OH-NE2 3.35Å; F60-H156 PolarHBondContact O-CD2 3.37Å; F62-H156 AromaticContact CD1-ND1 3.96Å; F62-H156 AromaticContact CE1-CE1 3.86Å; F62-H156 AromaticContact CE1-ND1 3.52Å; C69-H156 PolarHBondContact SG-CE1 3.42Å; C69-H156 PolarHBondContact SG-NE2 3.32Å; C69-H156 VanDerWaalsContact SG-NE2 3.42Å; V99-H156 HydrophobicContact CG2-CB 4.34Å; Y140-H156 WeakPolarHBondContact O-CA 3.43Å; V154-H156 PolarHBondContact O-N 3.08Å; H156-I158 PolarHBondContact O-N 3.13Å |
| 157 | T | 81.8 | Confident | 84.8 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | trans | -78.8 | 120.3 | 179.6 | -49 | 0 | 0 | 0 | 0 | 111.2 | Y140 I159 | Y140-T157 PolarHBondContact N-OG1 3.34Å; Y140-T157 VanDerWaalsContact N-OG1 3.16Å; Y140-T157 PolarHBondContact O-N 2.85Å; T157-I159 HydrophobicContact CG2-CD1 3.8Å; T157-I159 HydrophobicContact CG2-CG1 3.72Å; T157-I159 HydrophobicContact CG2-CG2 4.44Å; T157-I159 PolarHBondContact O-N 3.39Å; T157-I159 VanDerWaalsContact O-N 3.15Å | ||
| 158 | I | 86.4 | Confident | 85.6 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | trans | -92.3 | 68.7 | -175.8 | -49.5 | 153.9 | 0 | 0 | 0 | 110.6 | Y59 V68 E72 H156 Q175 | Y59-I158 HydrophobicContact CE2-CG2 4.4Å; V68-I158 HydrophobicContact CG1-CB 4.29Å; V68-I158 HydrophobicContact CG1-CD1 3.74Å; V68-I158 HydrophobicContact CG1-CG1 3.79Å; V68-I158 HydrophobicContact CG1-CG2 3.44Å; V68-I158 VanDerWaalsContact CG1-CG2 3.44Å; E72-I158 HydrophobicContact CG-CG2 3.71Å; H156-I158 PolarHBondContact O-N 3.13Å; I158-Q175 HydrophobicContact CB-CG 4.48Å; I158-Q175 HydrophobicContact CG2-CG 3.58Å | ||
| 159 | I | 92.3 | Very high | 86.7 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 17% | 0.169 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144.6 | 175 | 62.4 | -177.2 | 0 | 0 | 0 | 111.3 | T157 Y161 Y172 F173 | T157-I159 HydrophobicContact CG2-CD1 3.8Å; T157-I159 HydrophobicContact CG2-CG1 3.72Å; T157-I159 HydrophobicContact CG2-CG2 4.44Å; T157-I159 PolarHBondContact O-N 3.39Å; T157-I159 VanDerWaalsContact O-N 3.15Å; I159-Y161 HydrophobicContact CD1-CE1 3.74Å; I159-Y161 HydrophobicContact CD1-CE2 3.98Å; I159-Y161 VanDerWaalsContact CD1-CZ 3.41Å; I159-Y161 WeakPolarHBondContact CD1-OH 3.17Å; I159-Y161 HydrophobicContact CG1-CD2 4.3Å; I159-Y161 HydrophobicContact CG1-CE1 4.28Å; I159-Y161 HydrophobicContact CG1-CE2 3.63Å; I159-Y172 HydrophobicContact CB-CD2 4.46Å; I159-Y172 HydrophobicContact CD1-CD2 4.32Å; I159-Y172 HydrophobicContact CG2-CD2 4.17Å; I159-F173 WeakPolarHBondContact CA-O 3.25Å |
| 160 | T | 96.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.9 | 170.4 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | L57 I58 M76 Y172 F173 | L57-T160 HydrophobicContact CB-CG2 3.85Å; L57-T160 HydrophobicContact CD2-CG2 3.64Å; L57-T160 HydrophobicContact CG-CG2 4.26Å; I58-T160 CarbonylContact O-C 3.55Å; I58-T160 WeakPolarHBondContact O-CA 3.2Å; M76-T160 HydrophobicContact CG-CG2 4.22Å; M76-T160 HydrophobicContact SD-CG2 3.89Å; T160-Y172 CarbonylContact O-C 3.48Å; T160-Y172 VanDerWaalsContact O-CA 3.27Å; T160-Y172 WeakPolarHBondContact O-CA 3.5Å; T160-F173 PolarHBondContact N-O 2.9Å; T160-F173 PolarHBondContact O-N 3.3Å |
| 161 | Y | 96.5 | Very high | 88.5 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.8 | -180 | -61.9 | -95.8 | 0 | 0 | 0 | 111.4 | I32 L57 I58 F60 F137 V139 I159 F169 | I32-Y161 HydrophobicContact CG2-CD1 4.2Å; I32-Y161 HydrophobicContact CG2-CE1 3.99Å; L57-Y161 CarbonylContact C-O 3.58Å; L57-Y161 VanDerWaalsContact CA-O 3.28Å; L57-Y161 WeakPolarHBondContact CA-O 3.46Å; I58-Y161 PolarHBondContact N-O 3.04Å; I58-Y161 PolarHBondContact O-N 3.19Å; F60-Y161 AromaticContact CD2-CD2 3.95Å; F60-Y161 HydrophobicContact CD2-CD2 3.95Å; F60-Y161 AromaticContact CD2-CE2 3.67Å; F60-Y161 HydrophobicContact CD2-CE2 3.67Å; F60-Y161 AromaticContact CE2-CD2 3.75Å; F60-Y161 HydrophobicContact CE2-CD2 3.75Å; F60-Y161 AromaticContact CE2-CE2 3.67Å; F60-Y161 HydrophobicContact CE2-CE2 3.67Å; F137-Y161 HydrophobicContact CB-CE1 4.5Å; F137-Y161 HydrophobicContact CB-CE2 4.49Å; F137-Y161 AromaticContact CD1-CD1 3.79Å; F137-Y161 HydrophobicContact CD1-CD1 3.79Å; F137-Y161 HydrophobicContact CD1-CD2 4Å; F137-Y161 HydrophobicContact CD1-CE1 4.02Å; F137-Y161 HydrophobicContact CD1-CE2 4.21Å; F137-Y161 AromaticContact CD1-CG 3.78Å; F137-Y161 HydrophobicContact CD1-CG 3.78Å; F137-Y161 HydrophobicContact CE1-CD1 4.35Å; F137-Y161 HydrophobicContact CE1-CG 4.12Å; F137-Y161 PolarHBondContact O-OH 2.9Å; V139-Y161 HydrophobicContact CG2-CE2 3.95Å; V139-Y161 WeakPolarHBondContact CG2-OH 3.38Å; I159-Y161 HydrophobicContact CD1-CE1 3.74Å; I159-Y161 HydrophobicContact CD1-CE2 3.98Å; I159-Y161 VanDerWaalsContact CD1-CZ 3.41Å; I159-Y161 WeakPolarHBondContact CD1-OH 3.17Å; I159-Y161 HydrophobicContact CG1-CD2 4.3Å; I159-Y161 HydrophobicContact CG1-CE1 4.28Å; I159-Y161 HydrophobicContact CG1-CE2 3.63Å; Y161-F169 HydrophobicContact CD1-CD2 4.05Å; Y161-F169 AromaticContact CD1-CE2 3.82Å; Y161-F169 HydrophobicContact CD1-CE2 3.82Å |
| 162 | L | 97.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.8 | 171 | -177 | 66.4 | 0 | 0 | 0 | 110.3 | W55 L56 L57 V170 D171 F173 I186 K189 | W55-L162 HydrophobicContact CE3-CD1 3.79Å; W55-L162 HydrophobicContact CE3-CD2 4.38Å; W55-L162 HydrophobicContact CE3-CG 4.06Å; W55-L162 HydrophobicContact CZ3-CD1 4.22Å; W55-L162 HydrophobicContact CZ3-CD2 3.98Å; W55-L162 HydrophobicContact CZ3-CG 4.01Å; L56-L162 WeakPolarHBondContact O-CA 3.39Å; L57-L162 HydrophobicContact CD2-CB 4.49Å; L57-L162 HydrophobicContact CD2-CD1 4.11Å; L162-V170 HydrophobicContact CB-CB 4.45Å; L162-V170 HydrophobicContact CD2-CB 4.1Å; L162-V170 HydrophobicContact CD2-CG1 3.95Å; L162-V170 HydrophobicContact CG-CB 4.17Å; L162-V170 WeakPolarHBondContact O-CB 3.38Å; L162-V170 PolarHBondContact O-N 2.88Å; L162-D171 HydrophobicContact CB-CB 4.43Å; L162-D171 HydrophobicContact CD2-CB 4.45Å; L162-D171 PolarHBondContact N-O 3.03Å; L162-F173 HydrophobicContact CB-CE2 3.97Å; L162-F173 HydrophobicContact CD2-CE2 4.43Å; L162-F173 HydrophobicContact CD2-CZ 4.32Å; L162-I186 HydrophobicContact CD1-CD1 4.34Å; L162-I186 HydrophobicContact CD1-CG1 4.05Å; L162-I186 HydrophobicContact CD1-CG2 4.4Å; L162-I186 HydrophobicContact CD2-CG1 4.06Å; L162-K189 HydrophobicContact CD2-CB 4.08Å; L162-K189 HydrophobicContact CD2-CG 4.04Å |
| 163 | I | 97 | Very high | 90.3 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.9 | 175.9 | -53.4 | -54.6 | 0 | 0 | 0 | 109.5 | W55 L56 I58 F137 F169 | W55-I163 WeakPolarHBondContact CA-O 3.45Å; L56-I163 HydrophobicContact CB-CB 4.1Å; L56-I163 HydrophobicContact CD1-CB 4.3Å; L56-I163 HydrophobicContact CD1-CG2 4.34Å; L56-I163 HydrophobicContact CG-CB 4.42Å; L56-I163 PolarHBondContact N-O 3.3Å; L56-I163 PolarHBondContact O-N 2.95Å; I58-I163 HydrophobicContact CD1-CG1 3.72Å; I58-I163 HydrophobicContact CG1-CG1 4.3Å; F137-I163 HydrophobicContact CE1-CD1 3.82Å; F137-I163 HydrophobicContact CE1-CG1 4.27Å; F137-I163 HydrophobicContact CZ-CD1 4.14Å; F137-I163 HydrophobicContact CZ-CG1 4.36Å; I163-F169 HydrophobicContact CD1-CB 4.09Å; I163-F169 HydrophobicContact CD1-CD2 4.36Å |
| 164 | N | 96.2 | Very high | 91.1 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | trans | -87.4 | 172 | 178.2 | 70.9 | 29.7 | 0 | 0 | 0 | 112.8 | Q54 W55 D166 G167 D168 V170 | Q54-N164 CarbonylContact O-C 3.57Å; W55-N164 HydrophobicContact CE3-CB 4.22Å; W55-N164 HydrophobicContact CH2-CB 3.85Å; W55-N164 HydrophobicContact CZ2-CB 4.24Å; W55-N164 HydrophobicContact CZ3-CB 3.84Å; N164-D166 PolarHBondContact O-N 3.08Å; N164-D166 WeakPolarHBondContact OD1-CA 3.21Å; N164-D166 WeakPolarHBondContact OD1-CB 3.36Å; N164-D166 PolarHBondContact OD1-N 2.9Å; N164-G167 PolarHBondContact O-N 3.17Å; N164-G167 PolarHBondContact OD1-N 3.49Å; N164-D168 PolarHBondContact N-O 2.92Å; N164-D168 WeakPolarHBondContact ND2-CB 3.38Å; N164-D168 WeakPolarHBondContact OD1-CB 3.33Å; N164-D168 PolarHBondContact OD1-N 2.89Å; N164-V170 HydrophobicContact CB-CG2 3.56Å | ||
| 165 | P | 96.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 10% | 0.104 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.7 | 177.2 | -34.5 | 41.4 | 0 | 0 | 0 | 116.5 | G53 Q54 W55 G167 | G53-P165 PolarHBondContact N-O 3.47Å; Q54-P165 WeakPolarHBondContact O-CA 3.43Å; W55-P165 HydrophobicContact CD2-CG 4.47Å; W55-P165 VanDerWaalsContact CE2-CD 3.44Å; W55-P165 HydrophobicContact CG-CG 4.29Å; P165-G167 VanDerWaalsContact C-N 3.29Å |
| 166 | D | 93.5 | Very high | 92.8 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.8 | 178.1 | -55.3 | -37.1 | 0 | 0 | 0 | 112.1 | R52 N164 H193 K197 | R52-D166 PolarHBondContact NE-O 3.44Å; N164-D166 PolarHBondContact O-N 3.08Å; N164-D166 WeakPolarHBondContact OD1-CA 3.21Å; N164-D166 WeakPolarHBondContact OD1-CB 3.36Å; N164-D166 PolarHBondContact OD1-N 2.9Å; D166-H193 IonicContact OD2-CE1 3.68Å; D166-H193 PolarHBondContact OD2-CE1 3.34Å; D166-H193 IonicContact OD2-NE2 3.12Å; D166-K197 WeakPolarHBondContact OD1-CE 3.48Å; D166-K197 IonicContact OD1-NZ 2.82Å; D166-K197 PolarHBondContact OD1-NZ 3.43Å; D166-K197 VanDerWaalsContact OD2-CE 3.32Å; D166-K197 WeakPolarHBondContact OD2-CE 3.49Å; D166-K197 IonicContact OD2-NZ 3.8Å |
| 167 | G | 94 | Very high | 93.5 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 85 | 11.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N164 P165 | N164-G167 PolarHBondContact O-N 3.17Å; N164-G167 PolarHBondContact OD1-N 3.49Å; P165-G167 VanDerWaalsContact C-N 3.29Å |
| 168 | D | 93.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 35% | 0.348 | 25% | 0.25 | S | S | . | . | trans | -92 | 139 | -177.5 | -92.8 | -20.1 | 0 | 0 | 0 | 111.6 | K29 N164 | K29-D168 IonicContact NZ-OD1 3.19Å; K29-D168 PolarHBondContact NZ-OD1 3.06Å; K29-D168 IonicContact NZ-OD2 3.29Å; K29-D168 PolarHBondContact NZ-OD2 3.41Å; N164-D168 PolarHBondContact N-O 2.92Å; N164-D168 WeakPolarHBondContact ND2-CB 3.38Å; N164-D168 WeakPolarHBondContact OD1-CB 3.33Å; N164-D168 PolarHBondContact OD1-N 2.89Å | ||
| 169 | F | 94.2 | Very high | 94.8 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 135 | 169.8 | 169.7 | -97.5 | 0 | 0 | 0 | 112.3 | I32 Y161 I163 D171 Y172 | I32-F169 HydrophobicContact CB-CB 4.31Å; I32-F169 HydrophobicContact CB-CD1 4.17Å; I32-F169 HydrophobicContact CB-CD2 4.41Å; I32-F169 HydrophobicContact CB-CG 4.03Å; I32-F169 HydrophobicContact CD1-CE1 4.35Å; I32-F169 HydrophobicContact CD1-CZ 4.47Å; I32-F169 HydrophobicContact CG2-CB 4.28Å; I32-F169 HydrophobicContact CG2-CD1 4.41Å; I32-F169 HydrophobicContact CG2-CD2 3.77Å; I32-F169 HydrophobicContact CG2-CE2 4.19Å; I32-F169 HydrophobicContact CG2-CG 3.88Å; I32-F169 WeakPolarHBondContact O-CB 3.47Å; Y161-F169 HydrophobicContact CD1-CD2 4.05Å; Y161-F169 AromaticContact CD1-CE2 3.82Å; Y161-F169 HydrophobicContact CD1-CE2 3.82Å; I163-F169 HydrophobicContact CD1-CB 4.09Å; I163-F169 HydrophobicContact CD1-CD2 4.36Å; F169-D171 VanDerWaalsContact CE2-C 3.42Å; F169-D171 WeakPolarHBondContact CE2-O 3.35Å; F169-Y172 AromaticContact CZ-CD1 3.98Å; F169-Y172 HydrophobicContact CZ-CD1 3.98Å |
| 170 | V | 94.6 | Very high | 95.1 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | -48.2 | -176.9 | -179.4 | 0 | 0 | 0 | 0 | 113.1 | W55 L162 N164 K189 | W55-V170 HydrophobicContact CH2-CG2 4.38Å; W55-V170 HydrophobicContact CZ3-CG1 4.42Å; W55-V170 HydrophobicContact CZ3-CG2 3.95Å; L162-V170 HydrophobicContact CB-CB 4.45Å; L162-V170 HydrophobicContact CD2-CB 4.1Å; L162-V170 HydrophobicContact CD2-CG1 3.95Å; L162-V170 HydrophobicContact CG-CB 4.17Å; L162-V170 WeakPolarHBondContact O-CB 3.38Å; L162-V170 PolarHBondContact O-N 2.88Å; N164-V170 HydrophobicContact CB-CG2 3.56Å; V170-K189 HydrophobicContact CG1-CB 3.72Å; V170-K189 HydrophobicContact CG1-CD 3.88Å; V170-K189 HydrophobicContact CG1-CG 3.76Å |
| 171 | D | 95.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 170.1 | -177.3 | -146.5 | -15.3 | 0 | 0 | 0 | 110.6 | L162 F169 F173 K189 | L162-D171 HydrophobicContact CB-CB 4.43Å; L162-D171 HydrophobicContact CD2-CB 4.45Å; L162-D171 PolarHBondContact N-O 3.03Å; F169-D171 VanDerWaalsContact CE2-C 3.42Å; F169-D171 WeakPolarHBondContact CE2-O 3.35Å; D171-F173 HydrophobicContact CB-CZ 4.38Å; D171-K189 WeakPolarHBondContact OD2-CE 3.44Å; D171-K189 IonicContact OD2-NZ 3.2Å; D171-K189 PolarHBondContact OD2-NZ 3.33Å |
| 172 | Y | 94.9 | Very high | 95.2 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 51% | 0.51 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153.8 | 170.9 | 67.3 | -80.7 | 0 | 0 | 0 | 110.8 | I159 T160 F169 | I159-Y172 HydrophobicContact CB-CD2 4.46Å; I159-Y172 HydrophobicContact CD1-CD2 4.32Å; I159-Y172 HydrophobicContact CG2-CD2 4.17Å; T160-Y172 CarbonylContact O-C 3.48Å; T160-Y172 VanDerWaalsContact O-CA 3.27Å; T160-Y172 WeakPolarHBondContact O-CA 3.5Å; F169-Y172 AromaticContact CZ-CD1 3.98Å; F169-Y172 HydrophobicContact CZ-CD1 3.98Å |
| 173 | F | 95.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.9 | -179.2 | -51.3 | -67.9 | 0 | 0 | 0 | 109.2 | L57 I159 T160 L162 D171 I182 A185 I186 | L57-F173 HydrophobicContact CD2-CD2 4.09Å; L57-F173 HydrophobicContact CD2-CE2 3.96Å; I159-F173 WeakPolarHBondContact CA-O 3.25Å; T160-F173 PolarHBondContact N-O 2.9Å; T160-F173 PolarHBondContact O-N 3.3Å; L162-F173 HydrophobicContact CB-CE2 3.97Å; L162-F173 HydrophobicContact CD2-CE2 4.43Å; L162-F173 HydrophobicContact CD2-CZ 4.32Å; D171-F173 HydrophobicContact CB-CZ 4.38Å; F173-I182 HydrophobicContact CB-CD1 3.98Å; F173-I182 HydrophobicContact CB-CG1 4.05Å; F173-I182 HydrophobicContact CD1-CG1 4.11Å; F173-I182 HydrophobicContact CD1-CG2 4.15Å; F173-I182 HydrophobicContact CD2-CG2 3.61Å; F173-I182 HydrophobicContact CE1-CG2 4.24Å; F173-I182 HydrophobicContact CE2-CG2 3.69Å; F173-I182 HydrophobicContact CG-CB 4.49Å; F173-I182 HydrophobicContact CG-CD1 4.37Å; F173-I182 HydrophobicContact CG-CG1 3.99Å; F173-I182 HydrophobicContact CG-CG2 3.83Å; F173-I182 HydrophobicContact CZ-CG2 4.01Å; F173-A185 HydrophobicContact CE1-CB 3.73Å; F173-A185 HydrophobicContact CZ-CB 4.2Å; F173-I186 HydrophobicContact CE2-CD1 4.34Å; F173-I186 HydrophobicContact CE2-CG1 4.01Å; F173-I186 HydrophobicContact CZ-CG1 3.9Å |
| 174 | G | 91.7 | Very high | 95.3 | Very high | 28 Ų | 28 | 61 Ų | 61 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -179.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | R176 | G174-R176 PolarHBondContact O-N 2.87Å; G174-R176 VanDerWaalsContact O-N 3.1Å |
| 175 | Q | 91.2 | Very high | 95.4 | Very high | 106 Ų | 106 | 61.5 Ų | 61.5 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.7 | -172.6 | -62.2 | 174.2 | 45.3 | 0 | 0 | 115.2 | E72 K75 I158 R177 | E72-Q175 WeakPolarHBondContact OE1-CG 3.5Å; K75-Q175 PolarHBondContact NZ-O 2.94Å; I158-Q175 HydrophobicContact CB-CG 4.48Å; I158-Q175 HydrophobicContact CG2-CG 3.58Å; Q175-R177 VanDerWaalsContact C-N 3.27Å; Q175-R177 PolarHBondContact O-N 2.89Å |
| 176 | R | 92.5 | Very high | 95.5 | Very high | 250 Ų | 250 | 60.8 Ų | 60.8 | 94% | 0.943 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.7 | -171.1 | -65 | -172.3 | -171.5 | -117.9 | 0.9 | 115 | G174 | G174-R176 PolarHBondContact O-N 2.87Å; G174-R176 VanDerWaalsContact O-N 3.1Å |
| 177 | R | 93.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 59.3 Ų | 59.3 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -91.5 | 138.8 | -178.1 | -68.2 | -173 | -177.6 | 159.8 | 6.1 | 110.5 | K75 Q175 E181 I182 | K75-R177 WeakPolarHBondContact CD-O 3.44Å; Q175-R177 VanDerWaalsContact C-N 3.27Å; Q175-R177 PolarHBondContact O-N 2.89Å; R177-E181 WeakPolarHBondContact CA-OE2 3.23Å; R177-E181 HydrophobicContact CB-CB 4.19Å; R177-E181 HydrophobicContact CG-CB 4.49Å; R177-I182 HydrophobicContact CB-CD1 4.26Å; R177-I182 HydrophobicContact CB-CG1 3.77Å |
| 178 | N | 96.6 | Very high | 95.8 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | trans | -80.3 | 172.3 | 169.8 | 65.7 | 48.5 | 0 | 0 | 0 | 111.6 | E180 E181 I182 | N178-E180 VanDerWaalsContact C-N 3.34Å; N178-E180 PolarHBondContact O-N 3.46Å; N178-E180 PolarHBondContact OD1-N 3.47Å; N178-E180 VanDerWaalsContact OD1-N 3.16Å; N178-E180 PolarHBondContact OD1-OE2 3.14Å; N178-E181 PolarHBondContact N-OE2 2.92Å; N178-E181 PolarHBondContact ND2-OE2 3.45Å; N178-E181 PolarHBondContact O-N 3.32Å; N178-E181 WeakPolarHBondContact OD1-CG 3.3Å; N178-E181 PolarHBondContact OD1-N 3.35Å; N178-I182 VanDerWaalsContact O-CG1 3.31Å; N178-I182 WeakPolarHBondContact O-CG1 3.43Å; N178-I182 PolarHBondContact O-N 3.05Å | ||
| 179 | A | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K75 K78 V79 I82 I182 A183 | K75-A179 HydrophobicContact CG-CB 4.34Å; K78-A179 HydrophobicContact CB-CB 4.02Å; K78-A179 HydrophobicContact CD-CB 3.71Å; K78-A179 HydrophobicContact CG-CB 3.78Å; V79-A179 HydrophobicContact CG2-CB 3.79Å; I82-A179 HydrophobicContact CD1-CB 3.95Å; A179-I182 PolarHBondContact O-N 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.07Å; A179-A183 PolarHBondContact O-N 3.4Å |
| 180 | E | 97.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 180 | -67.5 | 74.6 | -170.3 | 0 | 0 | 111.9 | K78 I82 N178 A183 N184 | K78-E180 WeakPolarHBondContact CE-OE1 3.12Å; K78-E180 IonicContact NZ-OE1 3.07Å; K78-E180 PolarHBondContact NZ-OE1 2.97Å; K78-E180 IonicContact NZ-OE2 3.75Å; K78-E180 PolarHBondContact NZ-OE2 2.92Å; I82-E180 HydrophobicContact CD1-CG 4.12Å; N178-E180 VanDerWaalsContact C-N 3.34Å; N178-E180 PolarHBondContact O-N 3.46Å; N178-E180 PolarHBondContact OD1-N 3.47Å; N178-E180 VanDerWaalsContact OD1-N 3.16Å; N178-E180 PolarHBondContact OD1-OE2 3.14Å; E180-A183 PolarHBondContact O-N 3.18Å; E180-N184 WeakPolarHBondContact O-CB 3.44Å; E180-N184 VanDerWaalsContact O-CG 3.27Å; E180-N184 PolarHBondContact O-N 3.49Å; E180-N184 PolarHBondContact O-ND2 3.31Å |
| 181 | E | 98.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 174.3 | -72.1 | 173.2 | 150.8 | 0 | 0 | 112 | R177 N178 A185 | R177-E181 WeakPolarHBondContact CA-OE2 3.23Å; R177-E181 HydrophobicContact CB-CB 4.19Å; R177-E181 HydrophobicContact CG-CB 4.49Å; N178-E181 PolarHBondContact N-OE2 2.92Å; N178-E181 PolarHBondContact ND2-OE2 3.45Å; N178-E181 PolarHBondContact O-N 3.32Å; N178-E181 WeakPolarHBondContact OD1-CG 3.3Å; N178-E181 PolarHBondContact OD1-N 3.35Å; E181-A185 WeakPolarHBondContact O-CB 3.46Å; E181-A185 PolarHBondContact O-N 3.03Å |
| 182 | I | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 176 | -65.7 | 169.4 | 0 | 0 | 0 | 110.1 | K75 V79 F173 R177 N178 A179 N184 A185 I186 | K75-I182 HydrophobicContact CD-CD1 4.08Å; K75-I182 HydrophobicContact CG-CD1 4.34Å; V79-I182 HydrophobicContact CB-CG2 4.46Å; V79-I182 HydrophobicContact CG1-CG2 3.86Å; V79-I182 HydrophobicContact CG2-CB 3.78Å; V79-I182 HydrophobicContact CG2-CD1 4.28Å; V79-I182 HydrophobicContact CG2-CG2 3.76Å; F173-I182 HydrophobicContact CB-CD1 3.98Å; F173-I182 HydrophobicContact CB-CG1 4.05Å; F173-I182 HydrophobicContact CD1-CG1 4.11Å; F173-I182 HydrophobicContact CD1-CG2 4.15Å; F173-I182 HydrophobicContact CD2-CG2 3.61Å; F173-I182 HydrophobicContact CE1-CG2 4.24Å; F173-I182 HydrophobicContact CE2-CG2 3.69Å; F173-I182 HydrophobicContact CG-CB 4.49Å; F173-I182 HydrophobicContact CG-CD1 4.37Å; F173-I182 HydrophobicContact CG-CG1 3.99Å; F173-I182 HydrophobicContact CG-CG2 3.83Å; F173-I182 HydrophobicContact CZ-CG2 4.01Å; R177-I182 HydrophobicContact CB-CD1 4.26Å; R177-I182 HydrophobicContact CB-CG1 3.77Å; N178-I182 VanDerWaalsContact O-CG1 3.31Å; N178-I182 WeakPolarHBondContact O-CG1 3.43Å; N178-I182 PolarHBondContact O-N 3.05Å; A179-I182 PolarHBondContact O-N 3.31Å; I182-N184 VanDerWaalsContact C-N 3.33Å; I182-N184 PolarHBondContact O-N 3.4Å; I182-A185 WeakPolarHBondContact O-CB 3.24Å; I182-A185 PolarHBondContact O-N 2.75Å; I182-A185 VanDerWaalsContact O-N 3.1Å; I182-I186 HydrophobicContact CG2-CD1 3.87Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3Å; I182-I186 PolarHBondContact O-N 2.88Å |
| 183 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V79 I82 M83 A179 E180 A185 I186 R187 | V79-A183 HydrophobicContact CG1-CB 4.43Å; I82-A183 HydrophobicContact CB-CB 4.23Å; I82-A183 HydrophobicContact CG2-CB 3.6Å; M83-A183 HydrophobicContact SD-CB 4.03Å; A179-A183 WeakPolarHBondContact O-CB 3.07Å; A179-A183 PolarHBondContact O-N 3.4Å; E180-A183 PolarHBondContact O-N 3.18Å; A183-A185 VanDerWaalsContact C-N 3.33Å; A183-A185 PolarHBondContact O-N 3.1Å; A183-I186 WeakPolarHBondContact O-CB 2.9Å; A183-I186 PolarHBondContact O-N 2.56Å; A183-R187 WeakPolarHBondContact O-CG 3.3Å; A183-R187 PolarHBondContact O-N 3.45Å |
| 184 | N | 97.9 | Very high | 95.6 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 174.8 | -73.8 | -26.2 | 0 | 0 | 0 | 112.6 | E180 I182 R187 G188 | E180-N184 WeakPolarHBondContact O-CB 3.44Å; E180-N184 VanDerWaalsContact O-CG 3.27Å; E180-N184 PolarHBondContact O-N 3.49Å; E180-N184 PolarHBondContact O-ND2 3.31Å; I182-N184 VanDerWaalsContact C-N 3.33Å; I182-N184 PolarHBondContact O-N 3.4Å; N184-R187 PolarHBondContact OD1-NH1 2.66Å; N184-G188 PolarHBondContact O-N 2.05Å |
| 185 | A | 97.9 | Very high | 95.4 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 21% | 0.207 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F173 E181 I182 A183 G188 K189 | F173-A185 HydrophobicContact CE1-CB 3.73Å; F173-A185 HydrophobicContact CZ-CB 4.2Å; E181-A185 WeakPolarHBondContact O-CB 3.46Å; E181-A185 PolarHBondContact O-N 3.03Å; I182-A185 WeakPolarHBondContact O-CB 3.24Å; I182-A185 PolarHBondContact O-N 2.75Å; I182-A185 VanDerWaalsContact O-N 3.1Å; A183-A185 VanDerWaalsContact C-N 3.33Å; A183-A185 PolarHBondContact O-N 3.1Å; A185-G188 PolarHBondContact O-N 3.42Å; A185-K189 WeakPolarHBondContact O-CG 3.45Å; A185-K189 PolarHBondContact O-N 3.23Å |
| 186 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -49 | 177.6 | -68.3 | 168.7 | 0 | 0 | 0 | 111.1 | L57 V79 M83 V92 L162 F173 I182 A183 G188 K189 M190 | L57-I186 HydrophobicContact CD1-CD1 3.98Å; L57-I186 HydrophobicContact CD2-CD1 4.08Å; L57-I186 HydrophobicContact CG-CD1 4.37Å; V79-I186 HydrophobicContact CG1-CD1 3.52Å; M83-I186 HydrophobicContact CE-CG2 3.96Å; M83-I186 HydrophobicContact SD-CB 4.36Å; M83-I186 HydrophobicContact SD-CG2 4.16Å; V92-I186 HydrophobicContact CG2-CG2 4.13Å; L162-I186 HydrophobicContact CD1-CD1 4.34Å; L162-I186 HydrophobicContact CD1-CG1 4.05Å; L162-I186 HydrophobicContact CD1-CG2 4.4Å; L162-I186 HydrophobicContact CD2-CG1 4.06Å; F173-I186 HydrophobicContact CE2-CD1 4.34Å; F173-I186 HydrophobicContact CE2-CG1 4.01Å; F173-I186 HydrophobicContact CZ-CG1 3.9Å; I182-I186 HydrophobicContact CG2-CD1 3.87Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3Å; I182-I186 PolarHBondContact O-N 2.88Å; A183-I186 WeakPolarHBondContact O-CB 2.9Å; A183-I186 PolarHBondContact O-N 2.56Å; I186-G188 VanDerWaalsContact C-N 3.28Å; I186-G188 PolarHBondContact O-N 2.93Å; I186-K189 CarbonylContact O-C 3.38Å; I186-K189 WeakPolarHBondContact O-CA 3.4Å; I186-K189 WeakPolarHBondContact O-CB 3.48Å; I186-K189 PolarHBondContact O-N 2.55Å; I186-M190 HydrophobicContact CG2-CE 3.66Å; I186-M190 HydrophobicContact CG2-CG 4.23Å; I186-M190 HydrophobicContact CG2-SD 3.88Å; I186-M190 WeakPolarHBondContact O-CG 2.84Å; I186-M190 PolarHBondContact O-N 3.35Å |
| 187 | R | 98 | Very high | 94.3 | Very high | 45 Ų | 45 | 56 Ų | 56 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.1 | -47.5 | 175.2 | -69.6 | 178.4 | -178.6 | 101.2 | 7.9 | 111.7 | M83 D86 F89 A183 N184 K189 M190 L191 | M83-R187 HydrophobicContact CE-CG 4.15Å; M83-R187 HydrophobicContact SD-CG 4.19Å; D86-R187 IonicContact OD2-CZ 2.72Å; D86-R187 IonicContact OD2-NE 3.54Å; D86-R187 PolarHBondContact OD2-NE 3.42Å; D86-R187 IonicContact OD2-NH2 2.69Å; D86-R187 PolarHBondContact OD2-NH2 2.67Å; F89-R187 HydrophobicContact CD1-CB 4.32Å; F89-R187 HydrophobicContact CD1-CG 4.19Å; F89-R187 HydrophobicContact CD2-CG 3.8Å; F89-R187 HydrophobicContact CE1-CB 3.83Å; F89-R187 HydrophobicContact CE1-CG 4.07Å; F89-R187 HydrophobicContact CE2-CB 4.11Å; F89-R187 HydrophobicContact CE2-CG 3.67Å; F89-R187 HydrophobicContact CG-CG 4.06Å; F89-R187 HydrophobicContact CZ-CB 3.71Å; F89-R187 HydrophobicContact CZ-CG 3.82Å; A183-R187 WeakPolarHBondContact O-CG 3.3Å; A183-R187 PolarHBondContact O-N 3.45Å; N184-R187 PolarHBondContact OD1-NH1 2.66Å; R187-K189 VanDerWaalsContact C-N 3.3Å; R187-K189 PolarHBondContact O-N 3.34Å; R187-M190 PolarHBondContact O-N 3.38Å; R187-L191 WeakPolarHBondContact O-CG 3.15Å; R187-L191 PolarHBondContact O-N 3.28Å |
| 188 | G | 97.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | N184 A185 I186 V192 | N184-G188 PolarHBondContact O-N 2.05Å; A185-G188 PolarHBondContact O-N 3.42Å; I186-G188 VanDerWaalsContact C-N 3.28Å; I186-G188 PolarHBondContact O-N 2.93Å; G188-V192 WeakPolarHBondContact O-CG2 3.39Å; G188-V192 PolarHBondContact O-N 3.4Å |
| 189 | K | 97.1 | Very high | 92.2 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.9 | -38 | 175.7 | -60.3 | -58.1 | 172.7 | 148.9 | 0 | 112.9 | L162 V170 D171 A185 I186 R187 V192 H193 | L162-K189 HydrophobicContact CD2-CB 4.08Å; L162-K189 HydrophobicContact CD2-CG 4.04Å; V170-K189 HydrophobicContact CG1-CB 3.72Å; V170-K189 HydrophobicContact CG1-CD 3.88Å; V170-K189 HydrophobicContact CG1-CG 3.76Å; D171-K189 WeakPolarHBondContact OD2-CE 3.44Å; D171-K189 IonicContact OD2-NZ 3.2Å; D171-K189 PolarHBondContact OD2-NZ 3.33Å; A185-K189 WeakPolarHBondContact O-CG 3.45Å; A185-K189 PolarHBondContact O-N 3.23Å; I186-K189 CarbonylContact O-C 3.38Å; I186-K189 WeakPolarHBondContact O-CA 3.4Å; I186-K189 WeakPolarHBondContact O-CB 3.48Å; I186-K189 PolarHBondContact O-N 2.55Å; R187-K189 VanDerWaalsContact C-N 3.3Å; R187-K189 PolarHBondContact O-N 3.34Å; K189-V192 PolarHBondContact O-N 3.15Å; K189-H193 WeakPolarHBondContact O-CB 3.48Å; K189-H193 PolarHBondContact O-N 3.46Å |
| 190 | M | 96.9 | Very high | 90.8 | Very high | 13 Ų | 13 | 67.7 Ų | 67.7 | 6% | 0.064 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 176.8 | -74 | 174.1 | 165.1 | 0 | 0 | 111.4 | W55 M83 F89 P90 V92 I186 R187 V192 H193 G194 | W55-M190 HydrophobicContact CB-CE 3.98Å; W55-M190 HydrophobicContact CD2-CE 3.77Å; W55-M190 HydrophobicContact CD2-CG 4.08Å; W55-M190 HydrophobicContact CE3-CE 4.47Å; W55-M190 HydrophobicContact CE3-CG 4.49Å; W55-M190 HydrophobicContact CG-CE 3.51Å; W55-M190 HydrophobicContact CH2-CG 4.03Å; W55-M190 HydrophobicContact CZ2-CB 4.17Å; W55-M190 HydrophobicContact CZ2-CG 3.58Å; W55-M190 HydrophobicContact CZ3-CG 4.46Å; M83-M190 HydrophobicContact CE-CE 3.87Å; M83-M190 HydrophobicContact CE-SD 3.64Å; F89-M190 HydrophobicContact CB-SD 3.92Å; F89-M190 HydrophobicContact CD1-CB 4Å; F89-M190 HydrophobicContact CD1-SD 3.75Å; F89-M190 HydrophobicContact CE1-CB 4.32Å; F89-M190 HydrophobicContact CG-SD 4.21Å; P90-M190 WeakPolarHBondContact O-CE 3.28Å; V92-M190 HydrophobicContact CG2-CE 3.6Å; I186-M190 HydrophobicContact CG2-CE 3.66Å; I186-M190 HydrophobicContact CG2-CG 4.23Å; I186-M190 HydrophobicContact CG2-SD 3.88Å; I186-M190 WeakPolarHBondContact O-CG 2.84Å; I186-M190 PolarHBondContact O-N 3.35Å; R187-M190 PolarHBondContact O-N 3.38Å; M190-V192 PolarHBondContact O-N 3.31Å; M190-H193 PolarHBondContact O-N 2.79Å; M190-G194 PolarHBondContact O-N 3.03Å |
| 191 | L | 95.5 | Very high | 88.7 | Confident | 114 Ų | 114 | 67 Ų | 67 | 60% | 0.597 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.9 | -44.8 | 175.6 | -66.7 | 173.3 | 0 | 0 | 0 | 111.9 | F89 R187 G194 A195 | F89-L191 HydrophobicContact CE1-CD2 4Å; F89-L191 HydrophobicContact CE1-CG 3.96Å; F89-L191 HydrophobicContact CZ-CD1 4.49Å; F89-L191 HydrophobicContact CZ-CD2 4.33Å; F89-L191 HydrophobicContact CZ-CG 4.34Å; R187-L191 WeakPolarHBondContact O-CG 3.15Å; R187-L191 PolarHBondContact O-N 3.28Å; L191-G194 PolarHBondContact O-N 3.31Å; L191-A195 WeakPolarHBondContact O-CB 3.15Å; L191-A195 PolarHBondContact O-N 2.94Å |
| 192 | V | 93.2 | Very high | 86.2 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 47% | 0.473 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | G188 K189 M190 K196 | G188-V192 WeakPolarHBondContact O-CG2 3.39Å; G188-V192 PolarHBondContact O-N 3.4Å; K189-V192 PolarHBondContact O-N 3.15Å; M190-V192 PolarHBondContact O-N 3.31Å; V192-K196 HydrophobicContact CG1-CD 4.47Å; V192-K196 WeakPolarHBondContact O-CG 3.48Å; V192-K196 PolarHBondContact O-N 2.99Å; V192-K196 VanDerWaalsContact O-N 3.12Å |
| 193 | H | 91.8 | Very high | 85.6 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 13% | 0.134 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 176.6 | -179 | 84.3 | 0 | 0 | 0 | 111.5 | W55 D166 K189 M190 A195 K196 K197 | W55-H193 HydrophobicContact CH2-CB 3.91Å; W55-H193 HydrophobicContact CZ2-CB 3.85Å; W55-H193 AromaticContact CZ2-CD2 3.94Å; W55-H193 AromaticContact CZ2-CG 3.9Å; D166-H193 IonicContact OD2-CE1 3.68Å; D166-H193 PolarHBondContact OD2-CE1 3.34Å; D166-H193 IonicContact OD2-NE2 3.12Å; K189-H193 WeakPolarHBondContact O-CB 3.48Å; K189-H193 PolarHBondContact O-N 3.46Å; M190-H193 PolarHBondContact O-N 2.79Å; H193-A195 PolarHBondContact O-N 3.29Å; H193-K196 PolarHBondContact O-N 2.64Å; H193-K197 WeakPolarHBondContact NE2-CE 3.19Å; H193-K197 PolarHBondContact O-N 3.35Å; H193-K197 VanDerWaalsContact O-N 3.07Å |
| 194 | G | 89.1 | Confident | 84.9 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M190 L191 K196 K197 S198 | M190-G194 PolarHBondContact O-N 3.03Å; L191-G194 PolarHBondContact O-N 3.31Å; G194-K196 VanDerWaalsContact C-N 3.32Å; G194-K196 PolarHBondContact O-N 2.81Å; G194-K197 PolarHBondContact O-N 2.87Å; G194-S198 PolarHBondContact O-N 3.12Å |
| 195 | A | 87.3 | Confident | 84.2 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 46% | 0.463 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.7 | -32.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L191 H193 S198 F199 | L191-A195 WeakPolarHBondContact O-CB 3.15Å; L191-A195 PolarHBondContact O-N 2.94Å; H193-A195 PolarHBondContact O-N 3.29Å; A195-S198 PolarHBondContact O-OG 3.08Å; A195-S198 VanDerWaalsContact O-OG 3.05Å; A195-F199 WeakPolarHBondContact O-CB 3.03Å; A195-F199 PolarHBondContact O-N 3.31Å; A195-F199 VanDerWaalsContact O-N 3.12Å |
| 196 | K | 82.4 | Confident | 83.4 | Confident | 117 Ų | 117 | 79.4 Ų | 79.4 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 172.7 | -75.2 | 173.5 | -178.7 | 178.1 | 0 | 111.2 | V192 H193 G194 F199 W200 | V192-K196 HydrophobicContact CG1-CD 4.47Å; V192-K196 WeakPolarHBondContact O-CG 3.48Å; V192-K196 PolarHBondContact O-N 2.99Å; V192-K196 VanDerWaalsContact O-N 3.12Å; H193-K196 PolarHBondContact O-N 2.64Å; G194-K196 VanDerWaalsContact C-N 3.32Å; G194-K196 PolarHBondContact O-N 2.81Å; K196-F199 PolarHBondContact O-N 2.88Å; K196-W200 PolarHBondContact O-N 2.9Å; K196-W200 VanDerWaalsContact O-N 3.08Å |
| 197 | K | 77.1 | Confident | 82.5 | Confident | 99 Ų | 99 | 84.3 Ų | 84.3 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 177.7 | -79.7 | -163.3 | 168.9 | 176.6 | 0 | 112.3 | D166 H193 G194 F199 G201 | D166-K197 WeakPolarHBondContact OD1-CE 3.48Å; D166-K197 IonicContact OD1-NZ 2.82Å; D166-K197 PolarHBondContact OD1-NZ 3.43Å; D166-K197 VanDerWaalsContact OD2-CE 3.32Å; D166-K197 WeakPolarHBondContact OD2-CE 3.49Å; D166-K197 IonicContact OD2-NZ 3.8Å; H193-K197 WeakPolarHBondContact NE2-CE 3.19Å; H193-K197 PolarHBondContact O-N 3.35Å; H193-K197 VanDerWaalsContact O-N 3.07Å; G194-K197 PolarHBondContact O-N 2.87Å; K197-F199 VanDerWaalsContact C-N 3.35Å; K197-G201 VanDerWaalsContact O-CA 3.28Å; K197-G201 WeakPolarHBondContact O-CA 3.39Å; K197-G201 PolarHBondContact O-N 3.37Å |
| 198 | S | 72.6 | Confident | 81.4 | Confident | 89 Ų | 89 | 86.9 Ų | 86.9 | 62% | 0.622 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.1 | -31.9 | 175.5 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | G194 A195 | G194-S198 PolarHBondContact O-N 3.12Å; A195-S198 PolarHBondContact O-OG 3.08Å; A195-S198 VanDerWaalsContact O-OG 3.05Å |
| 199 | F | 74.4 | Confident | 80.3 | Confident | 143 Ų | 143 | 90.7 Ų | 90.7 | 63% | 0.627 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -75 | -32.9 | 179.1 | -176.7 | -97.4 | 0 | 0 | 0 | 113.9 | A195 K196 K197 | A195-F199 WeakPolarHBondContact O-CB 3.03Å; A195-F199 PolarHBondContact O-N 3.31Å; A195-F199 VanDerWaalsContact O-N 3.12Å; K196-F199 PolarHBondContact O-N 2.88Å; K197-F199 VanDerWaalsContact C-N 3.35Å |
| 200 | W | 67.6 | Low | 79 | Confident | 195 Ų | 195 | 92.5 Ų | 92.5 | 74% | 0.739 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -101.6 | -8 | 178.9 | -57.9 | 111.6 | 0 | 0 | 0 | 114 | K196 | K196-W200 PolarHBondContact O-N 2.9Å; K196-W200 VanDerWaalsContact O-N 3.08Å |
| 201 | G | 53.6 | Low | 77.5 | Confident | 68 Ų | 68 | 99.1 Ų | 99.1 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | trans | -93.9 | 12.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K197 | K197-G201 VanDerWaalsContact O-CA 3.28Å; K197-G201 WeakPolarHBondContact O-CA 3.39Å; K197-G201 PolarHBondContact O-N 3.37Å | ||
| 202 | S | 45.8 | Very low | 75.9 | Confident | 162 Ų | 162 | 97.7 Ų | 97.7 | 100% | 1.133 | 57% | 0.567 | S | S | * | * | trans | -110.2 | 0 | 170.6 | 66.7 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 202 of 202 residues in 486.2 ms
(Link to these results)