| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.8 | Very low | 49.7 | Very low | 200 Ų | 200 | 107.5 Ų | 107.5 | 99% | 0.985 | 52% | 0.523 | S | S | * | . | 0 | 91.8 | 0 | -69.4 | 179 | -174.8 | 0 | 0 | 108.8 | L3 | M1-L3 PolarHBondContact O-N 3.45Š| |||
| 2 | K | 32 | Very low | 50.6 | Low | 194 Ų | 194 | 107.3 Ų | 107.3 | 84% | 0.843 | 52% | 0.52 | S | S | * | . | trans | -80.5 | 113.4 | 163.9 | -85 | -173.4 | 174.2 | -178.4 | 0 | 107 | T118 | K2-T118 WeakPolarHBondContact O-CG2 3.47Š| ||
| 3 | L | 42.3 | Very low | 51.6 | Low | 118 Ų | 118 | 104.9 Ų | 104.9 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 147.4 | 177.3 | -73.8 | 131.8 | 0 | 0 | 0 | 109.8 | M1 | M1-L3 PolarHBondContact O-N 3.45Š|
| 4 | E | 48.4 | Very low | 52.7 | Low | 74 Ų | 74 | 106.2 Ų | 106.2 | 35% | 0.346 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -51 | 155.2 | 169.4 | -128.6 | 171.1 | -169.5 | 0 | 0 | 111 | ||
| 5 | E | 53.3 | Low | 53.6 | Low | 145 Ų | 145 | 101.5 Ų | 101.5 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 130.5 | 174.9 | -70.7 | -175.7 | 173.2 | 0 | 0 | 109.7 | H7 V8 R9 | E5-H7 PolarHBondContact O-N 3.48Å; E5-V8 PolarHBondContact O-N 3.5Å; E5-R9 PolarHBondContact O-N 2.92Å |
| 6 | P | 53.2 | Low | 54.4 | Low | 75 Ų | 75 | 97.7 Ų | 97.7 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57 | -26.4 | -170.3 | 18.5 | -30.7 | 0 | 0 | 0 | 113.6 | Q10 | P6-Q10 WeakPolarHBondContact O-CB 3.43Å; P6-Q10 WeakPolarHBondContact O-CG 3.37Å; P6-Q10 PolarHBondContact O-N 2.73Å |
| 7 | H | 52.7 | Low | 55.3 | Low | 108 Ų | 108 | 99 Ų | 99 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 174 | 165.1 | 49.7 | 0 | 0 | 0 | 112.9 | E5 R9 Q10 L11 | E5-H7 PolarHBondContact O-N 3.48Å; H7-R9 VanDerWaalsContact C-N 3.32Å; H7-R9 PolarHBondContact O-N 2.81Å; H7-Q10 PolarHBondContact O-N 3.03Å; H7-L11 WeakPolarHBondContact O-CB 3.31Å; H7-L11 PolarHBondContact O-N 3.13Å |
| 8 | V | 55.6 | Low | 56 | Low | 48 Ų | 48 | 98.3 Ų | 98.3 | 29% | 0.291 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | -177.1 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | E5 L11 H12 | E5-V8 PolarHBondContact O-N 3.5Å; V8-L11 PolarHBondContact O-N 3Å; V8-H12 PolarHBondContact O-N 3.45Å; V8-H12 PolarHBondContact O-ND1 3.45Å; V8-H12 VanDerWaalsContact O-ND1 3.1Å |
| 9 | R | 52.6 | Low | 56.8 | Low | 58 Ų | 58 | 95.3 Ų | 95.3 | 22% | 0.219 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 174.9 | -168.6 | -178.1 | -174.3 | -175.7 | 6.5 | 112 | E5 H7 L11 H12 N13 E92 | E5-R9 PolarHBondContact O-N 2.92Å; H7-R9 VanDerWaalsContact C-N 3.32Å; H7-R9 PolarHBondContact O-N 2.81Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.25Å; R9-H12 PolarHBondContact O-N 3.01Å; R9-N13 WeakPolarHBondContact O-CB 3.48Å; R9-N13 VanDerWaalsContact O-CG 3.29Å; R9-N13 PolarHBondContact O-N 3.01Å; R9-E92 IonicContact CZ-OE1 3.76Å; R9-E92 IonicContact CZ-OE2 3.45Å; R9-E92 IonicContact NE-OE1 2.61Å; R9-E92 IonicContact NE-OE2 3.19Å; R9-E92 IonicContact NH2-OE1 3.54Å; R9-E92 PolarHBondContact NH2-OE1 3.18Å; R9-E92 VanDerWaalsContact NH2-OE1 3.09Å; R9-E92 IonicContact NH2-OE2 2.9Å; R9-E92 PolarHBondContact NH2-OE2 3.49Å |
| 10 | Q | 59.2 | Low | 57.6 | Low | 116 Ų | 116 | 94.8 Ų | 94.8 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 175 | -82.6 | -176.9 | -22 | 0 | 0 | 111.6 | P6 H7 Q14 | P6-Q10 WeakPolarHBondContact O-CB 3.43Å; P6-Q10 WeakPolarHBondContact O-CG 3.37Å; P6-Q10 PolarHBondContact O-N 2.73Å; H7-Q10 PolarHBondContact O-N 3.03Å; Q10-Q14 VanDerWaalsContact O-CB 3.29Å; Q10-Q14 WeakPolarHBondContact O-CB 3.18Å; Q10-Q14 VanDerWaalsContact O-CG 3.25Å; Q10-Q14 WeakPolarHBondContact O-CG 3.35Å; Q10-Q14 PolarHBondContact O-N 3.45Å |
| 11 | L | 60.1 | Low | 58.3 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 24% | 0.241 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 179.9 | -147.3 | 109.6 | 0 | 0 | 0 | 111.7 | H7 V8 R9 N13 Q14 V15 E65 | H7-L11 WeakPolarHBondContact O-CB 3.31Å; H7-L11 PolarHBondContact O-N 3.13Å; V8-L11 PolarHBondContact O-N 3Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.25Å; L11-N13 PolarHBondContact O-N 3.18Å; L11-Q14 PolarHBondContact O-N 2.99Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.25Å; L11-E65 HydrophobicContact CD2-CG 4.22Å; L11-E65 WeakPolarHBondContact CD2-OE1 3.35Å |
| 12 | H | 59.7 | Low | 60 | Low | 106 Ų | 106 | 84.2 Ų | 84.2 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.4 | -85.5 | 92.2 | 0 | 0 | 0 | 111.9 | V8 R9 Q14 V15 G16 | V8-H12 PolarHBondContact O-N 3.45Å; V8-H12 PolarHBondContact O-ND1 3.45Å; V8-H12 VanDerWaalsContact O-ND1 3.1Å; R9-H12 PolarHBondContact O-N 3.01Å; H12-Q14 PolarHBondContact O-N 3.37Å; H12-V15 PolarHBondContact O-N 2.94Å; H12-G16 PolarHBondContact O-N 2.87Å |
| 13 | N | 64 | Low | 62 | Low | 76 Ų | 76 | 78 Ų | 78 | 41% | 0.406 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177 | -73.3 | -0 | 0 | 0 | 0 | 111.2 | R9 L11 V15 G16 I17 | R9-N13 WeakPolarHBondContact O-CB 3.48Å; R9-N13 VanDerWaalsContact O-CG 3.29Å; R9-N13 PolarHBondContact O-N 3.01Å; L11-N13 PolarHBondContact O-N 3.18Å; N13-V15 PolarHBondContact O-N 2.96Å; N13-G16 PolarHBondContact O-N 3.18Å; N13-I17 WeakPolarHBondContact O-CB 3.41Å; N13-I17 WeakPolarHBondContact O-CD1 3.43Å; N13-I17 WeakPolarHBondContact O-CG1 3.44Å; N13-I17 PolarHBondContact O-N 3.38Å |
| 14 | Q | 67.2 | Low | 63.6 | Low | 123 Ų | 123 | 76.2 Ų | 76.2 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.7 | -38.5 | 175.8 | -80 | -178.1 | -7.4 | 0 | 0 | 112.8 | Q10 L11 H12 Q18 | Q10-Q14 VanDerWaalsContact O-CB 3.29Å; Q10-Q14 WeakPolarHBondContact O-CB 3.18Å; Q10-Q14 VanDerWaalsContact O-CG 3.25Å; Q10-Q14 WeakPolarHBondContact O-CG 3.35Å; Q10-Q14 PolarHBondContact O-N 3.45Å; L11-Q14 PolarHBondContact O-N 2.99Å; H12-Q14 PolarHBondContact O-N 3.37Å; Q14-Q18 WeakPolarHBondContact O-CB 3.47Å; Q14-Q18 PolarHBondContact O-N 2.94Å |
| 15 | V | 66.7 | Low | 65.1 | Low | 35 Ų | 35 | 79.5 Ų | 79.5 | 21% | 0.212 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.6 | -47.6 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | L11 H12 N13 Q18 V19 K61 | L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.25Å; H12-V15 PolarHBondContact O-N 2.94Å; N13-V15 PolarHBondContact O-N 2.96Å; V15-Q18 PolarHBondContact O-N 3.41Å; V15-V19 HydrophobicContact CG1-CG2 4.33Å; V15-V19 VanDerWaalsContact O-CG2 3.3Å; V15-V19 WeakPolarHBondContact O-CG2 3.42Å; V15-V19 PolarHBondContact O-N 2.86Å; V15-K61 HydrophobicContact CG2-CD 3.89Å |
| 16 | G | 66 | Low | 66.2 | Low | 41 Ų | 41 | 73.9 Ų | 73.9 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H12 N13 Q18 V19 Q20 | H12-G16 PolarHBondContact O-N 2.87Å; N13-G16 PolarHBondContact O-N 3.18Å; G16-Q18 PolarHBondContact O-N 3.35Å; G16-V19 PolarHBondContact O-N 3.23Å; G16-Q20 WeakPolarHBondContact O-CB 3.35Å; G16-Q20 PolarHBondContact O-N 3.39Å |
| 17 | I | 69 | Low | 67.1 | Low | 120 Ų | 120 | 74 Ų | 74 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 176.8 | -68.3 | 164.2 | 0 | 0 | 0 | 110.9 | N13 Q20 A21 | N13-I17 WeakPolarHBondContact O-CB 3.41Å; N13-I17 WeakPolarHBondContact O-CD1 3.43Å; N13-I17 WeakPolarHBondContact O-CG1 3.44Å; N13-I17 PolarHBondContact O-N 3.38Å; I17-Q20 PolarHBondContact O-N 2.85Å; I17-A21 WeakPolarHBondContact O-CB 3.49Å; I17-A21 PolarHBondContact O-N 2.97Å |
| 18 | Q | 68.6 | Low | 68.3 | Low | 86 Ų | 86 | 71.3 Ų | 71.3 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.7 | -173.6 | 64.8 | 44.1 | 0 | 0 | 111.8 | Q14 V15 G16 Q20 A21 D22 | Q14-Q18 WeakPolarHBondContact O-CB 3.47Å; Q14-Q18 PolarHBondContact O-N 2.94Å; V15-Q18 PolarHBondContact O-N 3.41Å; G16-Q18 PolarHBondContact O-N 3.35Å; Q18-Q20 VanDerWaalsContact C-N 3.29Å; Q18-Q20 PolarHBondContact O-N 2.89Å; Q18-A21 PolarHBondContact O-N 3.48Å; Q18-D22 PolarHBondContact NE2-OD1 2.93Å; Q18-D22 WeakPolarHBondContact O-CB 3.37Å; Q18-D22 VanDerWaalsContact O-CG 3.25Å; Q18-D22 PolarHBondContact O-N 3.47Å |
| 19 | V | 71.3 | Confident | 69.1 | Low | 41 Ų | 41 | 74.9 Ų | 74.9 | 25% | 0.248 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 178.8 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | V15 G16 D22 K23 L54 F58 | V15-V19 HydrophobicContact CG1-CG2 4.33Å; V15-V19 VanDerWaalsContact O-CG2 3.3Å; V15-V19 WeakPolarHBondContact O-CG2 3.42Å; V15-V19 PolarHBondContact O-N 2.86Å; G16-V19 PolarHBondContact O-N 3.23Å; V19-D22 PolarHBondContact O-N 3.25Å; V19-K23 WeakPolarHBondContact O-CB 3.21Å; V19-K23 PolarHBondContact O-N 2.91Å; V19-L54 HydrophobicContact CG1-CD1 4.47Å; V19-F58 HydrophobicContact CG2-CZ 4.27Å |
| 20 | Q | 71.5 | Confident | 70 | Confident | 85 Ų | 85 | 75 Ų | 75 | 40% | 0.397 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 176.4 | -174.7 | 58.3 | 27.3 | 0 | 0 | 111.7 | G16 I17 Q18 K23 D24 | G16-Q20 WeakPolarHBondContact O-CB 3.35Å; G16-Q20 PolarHBondContact O-N 3.39Å; I17-Q20 PolarHBondContact O-N 2.85Å; Q18-Q20 VanDerWaalsContact C-N 3.29Å; Q18-Q20 PolarHBondContact O-N 2.89Å; Q20-K23 WeakPolarHBondContact O-CB 3.27Å; Q20-K23 PolarHBondContact O-N 3.5Å; Q20-D24 PolarHBondContact NE2-OD1 2.87Å; Q20-D24 VanDerWaalsContact NE2-OD1 3.11Å; Q20-D24 PolarHBondContact NE2-OD2 3.43Å; Q20-D24 WeakPolarHBondContact O-CB 3.21Å; Q20-D24 VanDerWaalsContact O-CG 3.26Å; Q20-D24 PolarHBondContact O-N 3.29Å |
| 21 | A | 73.6 | Confident | 70.6 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I17 Q18 K23 D24 Q25 | I17-A21 WeakPolarHBondContact O-CB 3.49Å; I17-A21 PolarHBondContact O-N 2.97Å; Q18-A21 PolarHBondContact O-N 3.48Å; A21-K23 VanDerWaalsContact C-N 3.33Å; A21-K23 PolarHBondContact O-N 3.08Å; A21-D24 PolarHBondContact O-N 3.35Å; A21-Q25 WeakPolarHBondContact O-CB 3.36Å; A21-Q25 PolarHBondContact O-N 2.86Å |
| 22 | D | 73.8 | Confident | 71.3 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 15% | 0.15 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 176.3 | -68.9 | -7.9 | 0 | 0 | 0 | 110.8 | Q18 V19 F26 Y50 | Q18-D22 PolarHBondContact NE2-OD1 2.93Å; Q18-D22 WeakPolarHBondContact O-CB 3.37Å; Q18-D22 VanDerWaalsContact O-CG 3.25Å; Q18-D22 PolarHBondContact O-N 3.47Å; V19-D22 PolarHBondContact O-N 3.25Å; D22-F26 WeakPolarHBondContact O-CB 3.42Å; D22-F26 PolarHBondContact O-N 3.45Å; D22-Y50 HydrophobicContact CB-CE2 4.28Å |
| 23 | K | 73.1 | Confident | 71.7 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 27% | 0.274 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.8 | 179.9 | -174.1 | 175.3 | -175.1 | 0 | 111.6 | V19 Q20 A21 F26 L27 | V19-K23 WeakPolarHBondContact O-CB 3.21Å; V19-K23 PolarHBondContact O-N 2.91Å; Q20-K23 WeakPolarHBondContact O-CB 3.27Å; Q20-K23 PolarHBondContact O-N 3.5Å; A21-K23 VanDerWaalsContact C-N 3.33Å; A21-K23 PolarHBondContact O-N 3.08Å; K23-F26 PolarHBondContact O-N 3.25Å; K23-L27 HydrophobicContact CG-CD1 4.13Å; K23-L27 WeakPolarHBondContact O-CB 3.3Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.49Å |
| 24 | D | 76.3 | Confident | 71.9 | Confident | 81 Ų | 81 | 74.2 Ų | 74.2 | 43% | 0.433 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | -179.3 | -70.5 | -24 | 0 | 0 | 0 | 111.4 | Q20 A21 L27 A28 | Q20-D24 PolarHBondContact NE2-OD1 2.87Å; Q20-D24 VanDerWaalsContact NE2-OD1 3.11Å; Q20-D24 PolarHBondContact NE2-OD2 3.43Å; Q20-D24 WeakPolarHBondContact O-CB 3.21Å; Q20-D24 VanDerWaalsContact O-CG 3.26Å; Q20-D24 PolarHBondContact O-N 3.29Å; A21-D24 PolarHBondContact O-N 3.35Å; D24-L27 PolarHBondContact O-N 3.01Å; D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 2.7Å |
| 25 | Q | 79.1 | Confident | 72.1 | Confident | 142 Ų | 142 | 78.8 Ų | 78.8 | 66% | 0.664 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 173 | -175.9 | 178.5 | -7 | 0 | 0 | 111.7 | A21 A28 R29 | A21-Q25 WeakPolarHBondContact O-CB 3.36Å; A21-Q25 PolarHBondContact O-N 2.86Å; Q25-A28 PolarHBondContact O-N 2.89Å; Q25-R29 PolarHBondContact O-N 2.97Å |
| 26 | F | 76 | Confident | 72.1 | Confident | 27 Ų | 27 | 79.4 Ų | 79.4 | 12% | 0.118 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.7 | 177.3 | -113.7 | 0 | 0 | 0 | 112.2 | D22 K23 R29 L30 F47 Y50 | D22-F26 WeakPolarHBondContact O-CB 3.42Å; D22-F26 PolarHBondContact O-N 3.45Å; K23-F26 PolarHBondContact O-N 3.25Å; F26-R29 PolarHBondContact O-N 3.04Å; F26-L30 HydrophobicContact CD1-CD1 4.06Å; F26-L30 HydrophobicContact CE1-CD1 3.36Å; F26-L30 HydrophobicContact CE1-CG 4.05Å; F26-L30 HydrophobicContact CE2-CD1 4.18Å; F26-L30 HydrophobicContact CE2-CD2 4.24Å; F26-L30 HydrophobicContact CE2-CG 3.98Å; F26-L30 HydrophobicContact CZ-CD1 3.42Å; F26-L30 VanDerWaalsContact CZ-CD1 3.42Å; F26-L30 HydrophobicContact CZ-CD2 4.02Å; F26-L30 HydrophobicContact CZ-CG 3.71Å; F26-L30 PolarHBondContact O-N 2.94Å; F26-F47 HydrophobicContact CE1-CD2 4.21Å; F26-F47 HydrophobicContact CE2-CB 4.46Å; F26-F47 HydrophobicContact CZ-CB 4.14Å; F26-F47 AromaticContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CG 4.43Å; F26-Y50 HydrophobicContact CB-CD2 3.5Å; F26-Y50 HydrophobicContact CB-CE2 3.72Å; F26-Y50 HydrophobicContact CB-CG 4.05Å; F26-Y50 HydrophobicContact CD1-CD1 4.03Å; F26-Y50 HydrophobicContact CD1-CD2 4.26Å; F26-Y50 HydrophobicContact CD1-CE1 4.22Å; F26-Y50 HydrophobicContact CD1-CE2 4.43Å; F26-Y50 HydrophobicContact CD1-CG 4.04Å; F26-Y50 HydrophobicContact CD2-CD1 4.37Å; F26-Y50 AromaticContact CD2-CD2 3.98Å; F26-Y50 HydrophobicContact CD2-CD2 3.98Å; F26-Y50 AromaticContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CE1-CD1 4.22Å; F26-Y50 HydrophobicContact CE1-CG 4.46Å; F26-Y50 HydrophobicContact CE2-CG 4.16Å; F26-Y50 HydrophobicContact CG-CD1 4.11Å; F26-Y50 AromaticContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CE2 4.1Å; F26-Y50 AromaticContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CZ-CD1 4.49Å |
| 27 | L | 73.8 | Confident | 72.1 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 41% | 0.414 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.2 | -74.8 | 170.8 | 0 | 0 | 0 | 112.1 | K23 D24 R29 L30 L31 | K23-L27 HydrophobicContact CG-CD1 4.13Å; K23-L27 WeakPolarHBondContact O-CB 3.3Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.49Å; D24-L27 PolarHBondContact O-N 3.01Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.21Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.18Å |
| 28 | A | 76.6 | Confident | 71.5 | Confident | 50 Ų | 50 | 86.3 Ų | 86.3 | 41% | 0.413 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D24 Q25 L31 E32 | D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 2.7Å; Q25-A28 PolarHBondContact O-N 2.89Å; A28-L31 PolarHBondContact O-N 2.83Å; A28-E32 WeakPolarHBondContact O-CG 3.47Å; A28-E32 PolarHBondContact O-N 2.78Å |
| 29 | R | 72.1 | Confident | 71.3 | Confident | 124 Ų | 124 | 85.1 Ų | 85.1 | 47% | 0.468 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 179.1 | -159.9 | 62.8 | 173.4 | 177.3 | -1.8 | 113.1 | Q25 F26 L27 L31 E32 L33 | Q25-R29 PolarHBondContact O-N 2.97Å; F26-R29 PolarHBondContact O-N 3.04Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.21Å; R29-L31 VanDerWaalsContact C-N 3.34Å; R29-E32 WeakPolarHBondContact CD-OE2 3.47Å; R29-E32 IonicContact CZ-OE2 3.53Å; R29-E32 IonicContact NE-OE2 2.82Å; R29-E32 IonicContact NH1-OE2 3.65Å; R29-E32 PolarHBondContact NH1-OE2 2.8Å; R29-E32 WeakPolarHBondContact O-CB 3.47Å; R29-E32 PolarHBondContact O-N 3.32Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.37Å |
| 30 | L | 71.8 | Confident | 71.2 | Confident | 60 Ų | 60 | 92.3 Ų | 92.3 | 31% | 0.314 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 172.7 | -77.8 | -178.1 | 0 | 0 | 0 | 112.2 | F26 L27 L33 S34 | F26-L30 HydrophobicContact CD1-CD1 4.06Å; F26-L30 HydrophobicContact CE1-CD1 3.36Å; F26-L30 HydrophobicContact CE1-CG 4.05Å; F26-L30 HydrophobicContact CE2-CD1 4.18Å; F26-L30 HydrophobicContact CE2-CD2 4.24Å; F26-L30 HydrophobicContact CE2-CG 3.98Å; F26-L30 HydrophobicContact CZ-CD1 3.42Å; F26-L30 VanDerWaalsContact CZ-CD1 3.42Å; F26-L30 HydrophobicContact CZ-CD2 4.02Å; F26-L30 HydrophobicContact CZ-CG 3.71Å; F26-L30 PolarHBondContact O-N 2.94Å; L27-L30 PolarHBondContact O-N 3.43Å; L30-L33 PolarHBondContact O-N 3.12Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 2.97Å |
| 31 | L | 72.2 | Confident | 71.2 | Confident | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 175.6 | -74.1 | 170.8 | 0 | 0 | 0 | 111.3 | L27 A28 R29 S34 R35 | L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.18Å; A28-L31 PolarHBondContact O-N 2.83Å; R29-L31 VanDerWaalsContact C-N 3.34Å; L31-S34 PolarHBondContact O-N 3.22Å; L31-S34 PolarHBondContact O-OG 3.48Å; L31-R35 WeakPolarHBondContact O-CG 3.49Å; L31-R35 PolarHBondContact O-N 3.41Å |
| 32 | E | 74.8 | Confident | 71.3 | Confident | 105 Ų | 105 | 95.9 Ų | 95.9 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 172.5 | -73.8 | 178.7 | 172.3 | 0 | 0 | 112 | A28 R29 S34 R35 S36 | A28-E32 WeakPolarHBondContact O-CG 3.47Å; A28-E32 PolarHBondContact O-N 2.78Å; R29-E32 WeakPolarHBondContact CD-OE2 3.47Å; R29-E32 IonicContact CZ-OE2 3.53Å; R29-E32 IonicContact NE-OE2 2.82Å; R29-E32 IonicContact NH1-OE2 3.65Å; R29-E32 PolarHBondContact NH1-OE2 2.8Å; R29-E32 WeakPolarHBondContact O-CB 3.47Å; R29-E32 PolarHBondContact O-N 3.32Å; E32-S34 VanDerWaalsContact C-N 3.32Å; E32-S34 PolarHBondContact O-N 2.82Å; E32-R35 PolarHBondContact O-N 2.98Å; E32-S36 PolarHBondContact O-N 3.24Å |
| 33 | L | 69 | Low | 71.3 | Confident | 31 Ų | 31 | 95.6 Ų | 95.6 | 16% | 0.162 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.9 | -73.9 | 174.2 | 0 | 0 | 0 | 111.9 | R29 L30 R35 S36 E42 E46 | R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.37Å; L30-L33 PolarHBondContact O-N 3.12Å; L33-R35 PolarHBondContact O-N 3.37Å; L33-S36 PolarHBondContact O-N 3.31Å; L33-S36 VanDerWaalsContact O-O 3.04Å; L33-S36 PolarHBondContact O-OG 3.23Å; L33-E42 HydrophobicContact CD2-CB 4.2Å; L33-E46 HydrophobicContact CD1-CB 4.31Å; L33-E46 HydrophobicContact CD1-CG 3.93Å |
| 34 | S | 66.9 | Low | 71.3 | Confident | 88 Ų | 88 | 97.9 Ų | 97.9 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -28.5 | 178.1 | 79.9 | 0 | 0 | 0 | 0 | 113.5 | L30 L31 E32 | L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 2.97Å; L31-S34 PolarHBondContact O-N 3.22Å; L31-S34 PolarHBondContact O-OG 3.48Å; E32-S34 VanDerWaalsContact C-N 3.32Å; E32-S34 PolarHBondContact O-N 2.82Å |
| 35 | R | 71.7 | Confident | 71.4 | Confident | 219 Ų | 219 | 98.7 Ų | 98.7 | 83% | 0.826 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -81.3 | -22.8 | 176 | -71.2 | 176.8 | 179.9 | -179.3 | 1.9 | 112.3 | L31 E32 L33 | L31-R35 WeakPolarHBondContact O-CG 3.49Å; L31-R35 PolarHBondContact O-N 3.41Å; E32-R35 PolarHBondContact O-N 2.98Å; L33-R35 PolarHBondContact O-N 3.37Å |
| 36 | S | 67.7 | Low | 71.3 | Confident | 47 Ų | 47 | 94.9 Ų | 94.9 | 33% | 0.329 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -83.3 | 145.4 | 176.1 | 83.9 | 0 | 0 | 0 | 0 | 110.3 | E32 L33 R38 | E32-S36 PolarHBondContact O-N 3.24Å; L33-S36 PolarHBondContact O-N 3.31Å; L33-S36 VanDerWaalsContact O-O 3.04Å; L33-S36 PolarHBondContact O-OG 3.23Å; S36-R38 PolarHBondContact O-N 2.67Å |
| 37 | S | 64.8 | Low | 71.3 | Confident | 133 Ų | 133 | 98.9 Ų | 98.9 | 93% | 0.93 | 50% | 0.496 | S | S | * | . | trans | -74 | 12.3 | 176 | 82.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 38 | R | 56.4 | Low | 71.3 | Confident | 174 Ų | 174 | 102.9 Ų | 102.9 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | trans | -93.7 | 137.9 | -169.4 | -86.7 | -171.9 | 174.3 | -170.2 | 1.7 | 112.8 | S36 E42 | S36-R38 PolarHBondContact O-N 2.67Å; R38-E42 WeakPolarHBondContact CB-OE2 3.46Å; R38-E42 IonicContact NH1-OE1 3.09Å; R38-E42 PolarHBondContact NH1-OE1 2.95Å | ||
| 39 | S | 64.4 | Low | 71.5 | Confident | 61 Ų | 61 | 103 Ų | 103 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | trans | -23.7 | 138.2 | -177 | -174 | 0 | 0 | 0 | 0 | 118.1 | E41 E42 | S39-E41 PolarHBondContact O-N 3.06Å; S39-E41 PolarHBondContact OG-N 3.2Å; S39-E41 VanDerWaalsContact OG-N 3.13Å; S39-E41 PolarHBondContact OG-OE2 3.2Å; S39-E42 PolarHBondContact O-N 2.86Å | ||
| 40 | K | 68.9 | Low | 71.6 | Confident | 192 Ų | 192 | 99.2 Ų | 99.2 | 84% | 0.835 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -42.1 | -29.1 | 162 | -171.3 | 179.4 | 177.9 | -176.6 | 0 | 114.1 | E44 | K40-E44 PolarHBondContact O-N 3.03Å |
| 41 | E | 72.7 | Confident | 71.8 | Confident | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 177.2 | -80.8 | 170.8 | 139.8 | 0 | 0 | 113.9 | S39 G43 E44 I45 | S39-E41 PolarHBondContact O-N 3.06Å; S39-E41 PolarHBondContact OG-N 3.2Å; S39-E41 VanDerWaalsContact OG-N 3.13Å; S39-E41 PolarHBondContact OG-OE2 3.2Å; E41-G43 VanDerWaalsContact C-N 3.31Å; E41-G43 PolarHBondContact O-N 3.32Å; E41-E44 PolarHBondContact O-N 3.29Å; E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.19Å |
| 42 | E | 76.1 | Confident | 72 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 179.6 | -74.3 | -178.5 | 174.3 | 0 | 0 | 110.4 | L33 R38 S39 E44 I45 E46 | L33-E42 HydrophobicContact CD2-CB 4.2Å; R38-E42 WeakPolarHBondContact CB-OE2 3.46Å; R38-E42 IonicContact NH1-OE1 3.09Å; R38-E42 PolarHBondContact NH1-OE1 2.95Å; S39-E42 PolarHBondContact O-N 2.86Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.42Å; E42-I45 PolarHBondContact O-N 3.37Å; E42-E46 PolarHBondContact O-N 3.34Å |
| 43 | G | 72.9 | Confident | 72.1 | Confident | 21 Ų | 21 | 100.6 Ų | 100.6 | 22% | 0.216 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E41 F47 | E41-G43 VanDerWaalsContact C-N 3.31Å; E41-G43 PolarHBondContact O-N 3.32Å; G43-F47 WeakPolarHBondContact O-CB 3.42Å; G43-F47 PolarHBondContact O-N 3.4Å |
| 44 | E | 73.7 | Confident | 72.1 | Confident | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.7 | -39.1 | 176.9 | -163 | -179.4 | 162.6 | 0 | 0 | 112.1 | K40 E41 E42 F47 R48 | K40-E44 PolarHBondContact O-N 3.03Å; E41-E44 PolarHBondContact O-N 3.29Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.42Å; E44-F47 PolarHBondContact O-N 3.22Å; E44-R48 PolarHBondContact O-N 3Å |
| 45 | I | 78.1 | Confident | 72.2 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 174.9 | -67 | 166.6 | 0 | 0 | 0 | 110.6 | E41 E42 R48 N49 | E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.19Å; E42-I45 PolarHBondContact O-N 3.37Å; I45-R48 WeakPolarHBondContact O-CB 3.35Å; I45-R48 PolarHBondContact O-N 2.7Å; I45-N49 PolarHBondContact O-N 3.32Å; I45-N49 PolarHBondContact O-ND2 2.89Å |
| 46 | E | 76.2 | Confident | 72.1 | Confident | 61 Ų | 61 | 95.6 Ų | 95.6 | 29% | 0.285 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.9 | -77.5 | -65.9 | 177.7 | 0 | 0 | 111.9 | L33 E42 R48 N49 Y50 | L33-E46 HydrophobicContact CD1-CB 4.31Å; L33-E46 HydrophobicContact CD1-CG 3.93Å; E42-E46 PolarHBondContact O-N 3.34Å; E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 2.94Å; E46-N49 PolarHBondContact O-N 3.34Å; E46-Y50 WeakPolarHBondContact O-CB 3.36Å; E46-Y50 PolarHBondContact O-N 2.92Å |
| 47 | F | 75.7 | Confident | 72.1 | Confident | 112 Ų | 112 | 95.2 Ų | 95.2 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 174.4 | -179.7 | -103.5 | 0 | 0 | 0 | 111.7 | F26 G43 E44 N49 Y50 V51 | F26-F47 HydrophobicContact CE1-CD2 4.21Å; F26-F47 HydrophobicContact CE2-CB 4.46Å; F26-F47 HydrophobicContact CZ-CB 4.14Å; F26-F47 AromaticContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CG 4.43Å; G43-F47 WeakPolarHBondContact O-CB 3.42Å; G43-F47 PolarHBondContact O-N 3.4Å; E44-F47 PolarHBondContact O-N 3.22Å; F47-N49 PolarHBondContact O-N 3.43Å; F47-Y50 PolarHBondContact O-N 2.97Å; F47-V51 HydrophobicContact CD1-CG2 4.28Å; F47-V51 HydrophobicContact CD2-CG2 4.44Å; F47-V51 HydrophobicContact CE1-CG2 3.89Å; F47-V51 HydrophobicContact CE2-CG2 4.08Å; F47-V51 HydrophobicContact CZ-CG2 3.78Å; F47-V51 WeakPolarHBondContact O-CB 3.49Å; F47-V51 VanDerWaalsContact O-CG2 3.27Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.47Å |
| 48 | R | 75.7 | Confident | 72.1 | Confident | 162 Ų | 162 | 94.4 Ų | 94.4 | 61% | 0.611 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 174.7 | -110 | -175.7 | -150.7 | -127.1 | 4.5 | 112.8 | E44 I45 E46 R52 | E44-R48 PolarHBondContact O-N 3Å; I45-R48 WeakPolarHBondContact O-CB 3.35Å; I45-R48 PolarHBondContact O-N 2.7Å; E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 2.94Å; R48-R52 WeakPolarHBondContact O-CB 3.3Å; R48-R52 PolarHBondContact O-N 3.05Å |
| 49 | N | 79.3 | Confident | 72.5 | Confident | 53 Ų | 53 | 92.7 Ų | 92.7 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 179.4 | -72.4 | -21.4 | 0 | 0 | 0 | 111.2 | I45 E46 F47 R52 N53 | I45-N49 PolarHBondContact O-N 3.32Å; I45-N49 PolarHBondContact O-ND2 2.89Å; E46-N49 PolarHBondContact O-N 3.34Å; F47-N49 PolarHBondContact O-N 3.43Å; N49-R52 PolarHBondContact O-N 2.93Å; N49-R52 PolarHBondContact OD1-NH1 2.88Å; N49-N53 WeakPolarHBondContact O-CB 3.25Å; N49-N53 VanDerWaalsContact O-CG 3.26Å; N49-N53 PolarHBondContact O-N 3.41Å |
| 50 | Y | 75.5 | Confident | 72.4 | Confident | 44 Ų | 44 | 94 Ų | 94 | 17% | 0.173 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 172.8 | 173.7 | -104 | 0 | 0 | 0 | 111.5 | D22 F26 E46 F47 R52 N53 L54 | D22-Y50 HydrophobicContact CB-CE2 4.28Å; F26-Y50 HydrophobicContact CB-CD2 3.5Å; F26-Y50 HydrophobicContact CB-CE2 3.72Å; F26-Y50 HydrophobicContact CB-CG 4.05Å; F26-Y50 HydrophobicContact CD1-CD1 4.03Å; F26-Y50 HydrophobicContact CD1-CD2 4.26Å; F26-Y50 HydrophobicContact CD1-CE1 4.22Å; F26-Y50 HydrophobicContact CD1-CE2 4.43Å; F26-Y50 HydrophobicContact CD1-CG 4.04Å; F26-Y50 HydrophobicContact CD2-CD1 4.37Å; F26-Y50 AromaticContact CD2-CD2 3.98Å; F26-Y50 HydrophobicContact CD2-CD2 3.98Å; F26-Y50 AromaticContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CE1-CD1 4.22Å; F26-Y50 HydrophobicContact CE1-CG 4.46Å; F26-Y50 HydrophobicContact CE2-CG 4.16Å; F26-Y50 HydrophobicContact CG-CD1 4.11Å; F26-Y50 AromaticContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CE2 4.1Å; F26-Y50 AromaticContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CZ-CD1 4.49Å; E46-Y50 WeakPolarHBondContact O-CB 3.36Å; E46-Y50 PolarHBondContact O-N 2.92Å; F47-Y50 PolarHBondContact O-N 2.97Å; Y50-R52 VanDerWaalsContact C-N 3.33Å; Y50-R52 PolarHBondContact O-N 3.29Å; Y50-N53 PolarHBondContact O-N 3.29Å; Y50-L54 HydrophobicContact CE1-CD2 4.5Å; Y50-L54 WeakPolarHBondContact O-CB 3.29Å; Y50-L54 PolarHBondContact O-N 2.95Å |
| 51 | V | 74.3 | Confident | 71.9 | Confident | 44 Ų | 44 | 88 Ų | 88 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 178 | 171.7 | 0 | 0 | 0 | 0 | 111 | F47 L54 Y55 | F47-V51 HydrophobicContact CD1-CG2 4.28Å; F47-V51 HydrophobicContact CD2-CG2 4.44Å; F47-V51 HydrophobicContact CE1-CG2 3.89Å; F47-V51 HydrophobicContact CE2-CG2 4.08Å; F47-V51 HydrophobicContact CZ-CG2 3.78Å; F47-V51 WeakPolarHBondContact O-CB 3.49Å; F47-V51 VanDerWaalsContact O-CG2 3.27Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.47Å; V51-L54 PolarHBondContact O-N 2.91Å; V51-Y55 HydrophobicContact CG1-CD2 3.57Å; V51-Y55 HydrophobicContact CG1-CE2 3.5Å; V51-Y55 WeakPolarHBondContact O-CD2 3.45Å; V51-Y55 PolarHBondContact O-N 3.32Å |
| 52 | R | 77.4 | Confident | 71.2 | Confident | 149 Ų | 149 | 83.2 Ų | 83.2 | 56% | 0.562 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 177.3 | -171.7 | -172.9 | -62.5 | 127.1 | 1.8 | 112.1 | R48 N49 Y50 Y55 G56 | R48-R52 WeakPolarHBondContact O-CB 3.3Å; R48-R52 PolarHBondContact O-N 3.05Å; N49-R52 PolarHBondContact O-N 2.93Å; N49-R52 PolarHBondContact OD1-NH1 2.88Å; Y50-R52 VanDerWaalsContact C-N 3.33Å; Y50-R52 PolarHBondContact O-N 3.29Å; R52-Y55 PolarHBondContact O-N 3.42Å; R52-G56 PolarHBondContact O-N 3.29Å |
| 53 | N | 76.3 | Confident | 70 | Confident | 105 Ų | 105 | 84.8 Ų | 84.8 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 178 | -72.9 | -8.1 | 0 | 0 | 0 | 111.1 | N49 Y50 G56 T57 | N49-N53 WeakPolarHBondContact O-CB 3.25Å; N49-N53 VanDerWaalsContact O-CG 3.26Å; N49-N53 PolarHBondContact O-N 3.41Å; Y50-N53 PolarHBondContact O-N 3.29Å; N53-G56 PolarHBondContact O-N 3.02Å; N53-T57 PolarHBondContact O-N 3.49Å; N53-T57 PolarHBondContact O-OG1 3.39Å |
| 54 | L | 70.1 | Confident | 69 | Low | 41 Ų | 41 | 91.9 Ų | 91.9 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 177.6 | -161.7 | 78.6 | 0 | 0 | 0 | 110.9 | V19 Y50 V51 G56 T57 F58 | V19-L54 HydrophobicContact CG1-CD1 4.47Å; Y50-L54 HydrophobicContact CE1-CD2 4.5Å; Y50-L54 WeakPolarHBondContact O-CB 3.29Å; Y50-L54 PolarHBondContact O-N 2.95Å; V51-L54 PolarHBondContact O-N 2.91Å; L54-G56 PolarHBondContact O-N 3.47Å; L54-T57 PolarHBondContact O-N 2.92Å; L54-F58 HydrophobicContact CD1-CE2 4.34Å; L54-F58 HydrophobicContact CD2-CE2 4.43Å; L54-F58 HydrophobicContact CG-CD2 4.22Å; L54-F58 HydrophobicContact CG-CE2 3.97Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; L54-F58 PolarHBondContact O-N 3.25Å; L54-F58 VanDerWaalsContact O-N 3.08Å |
| 55 | Y | 68.9 | Low | 67.9 | Low | 166 Ų | 166 | 91.1 Ų | 91.1 | 65% | 0.651 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 175.3 | -83.4 | -68.2 | 0 | 0 | 0 | 112.3 | V51 R52 T57 F58 E59 | V51-Y55 HydrophobicContact CG1-CD2 3.57Å; V51-Y55 HydrophobicContact CG1-CE2 3.5Å; V51-Y55 WeakPolarHBondContact O-CD2 3.45Å; V51-Y55 PolarHBondContact O-N 3.32Å; R52-Y55 PolarHBondContact O-N 3.42Å; Y55-T57 VanDerWaalsContact C-N 3.34Å; Y55-T57 PolarHBondContact O-N 3.26Å; Y55-F58 PolarHBondContact O-N 3.48Å; Y55-E59 WeakPolarHBondContact O-CB 3.5Å; Y55-E59 PolarHBondContact O-N 2.91Å |
| 56 | G | 69.3 | Low | 66.5 | Low | 27 Ų | 27 | 96.2 Ų | 96.2 | 28% | 0.278 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R52 N53 L54 E59 T60 | R52-G56 PolarHBondContact O-N 3.29Å; N53-G56 PolarHBondContact O-N 3.02Å; L54-G56 PolarHBondContact O-N 3.47Å; G56-E59 PolarHBondContact O-N 3.27Å; G56-T60 WeakPolarHBondContact O-CB 3.48Å; G56-T60 VanDerWaalsContact O-CG2 3.31Å; G56-T60 WeakPolarHBondContact O-CG2 3.47Å; G56-T60 PolarHBondContact O-N 3.28Å; G56-T60 PolarHBondContact O-OG1 2.87Å |
| 57 | T | 67.4 | Low | 65.2 | Low | 38 Ų | 38 | 99.9 Ų | 99.9 | 23% | 0.233 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | N53 L54 Y55 T60 K61 | N53-T57 PolarHBondContact O-N 3.49Å; N53-T57 PolarHBondContact O-OG1 3.39Å; L54-T57 PolarHBondContact O-N 2.92Å; Y55-T57 VanDerWaalsContact C-N 3.34Å; Y55-T57 PolarHBondContact O-N 3.26Å; T57-T60 PolarHBondContact O-OG1 2.89Å; T57-K61 HydrophobicContact CG2-CD 4.32Å; T57-K61 VanDerWaalsContact O-CB 3.3Å; T57-K61 WeakPolarHBondContact O-CB 3.5Å; T57-K61 WeakPolarHBondContact O-CG 3.32Å; T57-K61 PolarHBondContact O-N 3.42Å |
| 58 | F | 64.7 | Low | 63.8 | Low | 116 Ų | 116 | 99.1 Ų | 99.1 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 175.3 | -82.2 | -70.1 | 0 | 0 | 0 | 112.4 | V19 L54 Y55 G62 | V19-F58 HydrophobicContact CG2-CZ 4.27Å; L54-F58 HydrophobicContact CD1-CE2 4.34Å; L54-F58 HydrophobicContact CD2-CE2 4.43Å; L54-F58 HydrophobicContact CG-CD2 4.22Å; L54-F58 HydrophobicContact CG-CE2 3.97Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; L54-F58 PolarHBondContact O-N 3.25Å; L54-F58 VanDerWaalsContact O-N 3.08Å; Y55-F58 PolarHBondContact O-N 3.48Å; F58-G62 PolarHBondContact O-N 2.89Å |
| 59 | E | 65.1 | Low | 62.2 | Low | 138 Ų | 138 | 98.5 Ų | 98.5 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.3 | -46.4 | -179.7 | -160.8 | 173.1 | -157.5 | 0 | 0 | 111.2 | Y55 G56 K61 G62 L63 | Y55-E59 WeakPolarHBondContact O-CB 3.5Å; Y55-E59 PolarHBondContact O-N 2.91Å; G56-E59 PolarHBondContact O-N 3.27Å; E59-K61 PolarHBondContact O-N 2.93Å; E59-G62 PolarHBondContact O-N 2.86Å; E59-L63 HydrophobicContact CG-CD1 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 WeakPolarHBondContact O-CD1 3.14Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 2.86Å |
| 60 | T | 61.4 | Low | 60.2 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.7 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | G56 T57 R64 | G56-T60 WeakPolarHBondContact O-CB 3.48Å; G56-T60 VanDerWaalsContact O-CG2 3.31Å; G56-T60 WeakPolarHBondContact O-CG2 3.47Å; G56-T60 PolarHBondContact O-N 3.28Å; G56-T60 PolarHBondContact O-OG1 2.87Å; T57-T60 PolarHBondContact O-OG1 2.89Å; T60-R64 WeakPolarHBondContact O-CB 3.34Å; T60-R64 PolarHBondContact O-N 3.11Å |
| 61 | K | 58.8 | Low | 58.5 | Low | 66 Ų | 66 | 109.5 Ų | 109.5 | 29% | 0.287 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.7 | -37.5 | 176.6 | -74 | -172.3 | 179.1 | 178.2 | 0 | 113 | V15 T57 E59 L63 R64 E65 | V15-K61 HydrophobicContact CG2-CD 3.89Å; T57-K61 HydrophobicContact CG2-CD 4.32Å; T57-K61 VanDerWaalsContact O-CB 3.3Å; T57-K61 WeakPolarHBondContact O-CB 3.5Å; T57-K61 WeakPolarHBondContact O-CG 3.32Å; T57-K61 PolarHBondContact O-N 3.42Å; E59-K61 PolarHBondContact O-N 2.93Å; K61-L63 VanDerWaalsContact C-N 3.28Å; K61-L63 PolarHBondContact O-N 3.48Å; K61-R64 CarbonylContact O-C 3.55Å; K61-R64 PolarHBondContact O-N 2.94Å; K61-R64 VanDerWaalsContact O-N 3.12Å; K61-E65 PolarHBondContact O-N 3.1Å |
| 62 | G | 57.5 | Low | 56.7 | Low | 37 Ų | 37 | 111 Ų | 111 | 38% | 0.381 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F58 E59 R66 | F58-G62 PolarHBondContact O-N 2.89Å; E59-G62 PolarHBondContact O-N 2.86Å; G62-R66 PolarHBondContact O-N 3.37Å |
| 63 | L | 52 | Low | 54.7 | Low | 102 Ų | 102 | 109.3 Ų | 109.3 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -42.3 | 170.2 | -71.3 | 169 | 0 | 0 | 0 | 111.8 | E59 K61 R66 E67 | E59-L63 HydrophobicContact CG-CD1 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 WeakPolarHBondContact O-CD1 3.14Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 2.86Å; K61-L63 VanDerWaalsContact C-N 3.28Å; K61-L63 PolarHBondContact O-N 3.48Å; L63-R66 WeakPolarHBondContact O-CB 3.33Å; L63-R66 PolarHBondContact O-N 2.86Å; L63-E67 PolarHBondContact O-N 3.28Å |
| 64 | R | 51.8 | Low | 52.9 | Low | 170 Ų | 170 | 110.1 Ų | 110.1 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.6 | -36.1 | 176.3 | -119 | 177.1 | 178.8 | -178.6 | -0.4 | 113.4 | T60 K61 R66 E67 N68 | T60-R64 WeakPolarHBondContact O-CB 3.34Å; T60-R64 PolarHBondContact O-N 3.11Å; K61-R64 CarbonylContact O-C 3.55Å; K61-R64 PolarHBondContact O-N 2.94Å; K61-R64 VanDerWaalsContact O-N 3.12Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-E67 PolarHBondContact O-N 3.49Å; R64-N68 WeakPolarHBondContact O-CB 3.34Å; R64-N68 PolarHBondContact O-N 2.71Å; R64-N68 PolarHBondContact O-ND2 3.38Å |
| 65 | E | 50.7 | Low | 51.3 | Low | 96 Ų | 96 | 113.5 Ų | 113.5 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.3 | -41.2 | 172 | -82.5 | -178.1 | 165.2 | 0 | 0 | 110.9 | L11 K61 E67 N68 L69 | L11-E65 HydrophobicContact CD2-CG 4.22Å; L11-E65 WeakPolarHBondContact CD2-OE1 3.35Å; K61-E65 PolarHBondContact O-N 3.1Å; E65-E67 VanDerWaalsContact C-N 3.28Å; E65-E67 PolarHBondContact O-N 3.41Å; E65-N68 PolarHBondContact O-N 3.45Å; E65-L69 WeakPolarHBondContact O-CB 3.39Å; E65-L69 WeakPolarHBondContact O-CD1 3.42Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.04Å |
| 66 | R | 49.2 | Very low | 49.9 | Very low | 206 Ų | 206 | 113.9 Ų | 113.9 | 78% | 0.777 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.3 | -31.6 | 175.3 | -152.7 | 178.2 | -172.9 | -173.7 | 2.1 | 112.5 | G62 L63 R64 | G62-R66 PolarHBondContact O-N 3.37Å; L63-R66 WeakPolarHBondContact O-CB 3.33Å; L63-R66 PolarHBondContact O-N 2.86Å; R64-R66 VanDerWaalsContact C-N 3.34Å |
| 67 | E | 48.4 | Very low | 48.4 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.5 | -39.8 | 173.2 | -102.3 | 176.6 | 161.8 | 0 | 0 | 113.4 | L63 R64 E65 R70 | L63-E67 PolarHBondContact O-N 3.28Å; R64-E67 PolarHBondContact O-N 3.49Å; E65-E67 VanDerWaalsContact C-N 3.28Å; E65-E67 PolarHBondContact O-N 3.41Å; E67-R70 WeakPolarHBondContact O-CB 3.42Å; E67-R70 PolarHBondContact O-N 3.43Å |
| 68 | N | 45.8 | Very low | 47.3 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -80.4 | -12.6 | -177.9 | -70.5 | -16.7 | 0 | 0 | 0 | 114.1 | R64 E65 R70 | R64-N68 WeakPolarHBondContact O-CB 3.34Å; R64-N68 PolarHBondContact O-N 2.71Å; R64-N68 PolarHBondContact O-ND2 3.38Å; E65-N68 PolarHBondContact O-N 3.45Å; N68-R70 CarbonylContact C-O 3.54Å; N68-R70 PolarHBondContact O-N 2.97Å |
| 69 | L | 43.1 | Very low | 46.4 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -6.5 | 165.9 | -90 | 153.9 | 0 | 0 | 0 | 112.9 | E65 | E65-L69 WeakPolarHBondContact O-CB 3.39Å; E65-L69 WeakPolarHBondContact O-CD1 3.42Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.04Å |
| 70 | R | 36.7 | Very low | 45.3 | Very low | 195 Ų | 195 | 119 Ų | 119 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 126.5 | 158.9 | -66.9 | -178.6 | 176.3 | -179.7 | 0.2 | 107.6 | E67 N68 A72 | E67-R70 WeakPolarHBondContact O-CB 3.42Å; E67-R70 PolarHBondContact O-N 3.43Å; N68-R70 CarbonylContact C-O 3.54Å; N68-R70 PolarHBondContact O-N 2.97Å; R70-A72 VanDerWaalsContact C-N 3.25Å; R70-A72 PolarHBondContact O-N 2.93Å |
| 71 | P | 38.6 | Very low | 44.5 | Very low | 132 Ų | 132 | 118.4 Ų | 118.4 | 86% | 0.857 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 84.1 | -170.1 | 28.3 | -34 | 0 | 0 | 0 | 110.4 | S73 | P71-S73 PolarHBondContact O-N 3.37Š|
| 72 | A | 37.6 | Very low | 44.1 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | trans | -75.1 | 103.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | R70 V74 | R70-A72 VanDerWaalsContact C-N 3.25Å; R70-A72 PolarHBondContact O-N 2.93Å; A72-V74 VanDerWaalsContact C-N 3.25Å; A72-V74 PolarHBondContact O-N 3.46Å | ||
| 73 | S | 35.2 | Very low | 43.7 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -54.5 | 89.3 | 165.4 | 52.7 | 0 | 0 | 0 | 0 | 109.2 | P71 | P71-S73 PolarHBondContact O-N 3.37Š| ||
| 74 | V | 39.4 | Very low | 43.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | -69.6 | 127.5 | 169.7 | 179.5 | 0 | 0 | 0 | 0 | 107 | A72 L76 | A72-V74 VanDerWaalsContact C-N 3.25Å; A72-V74 PolarHBondContact O-N 3.46Å; V74-L76 PolarHBondContact O-N 3.47Å | ||
| 75 | P | 34.6 | Very low | 43.8 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -57.8 | 125.1 | -176.1 | -23.3 | 32.5 | 0 | 0 | 0 | 112.1 | D77 | P75-D77 PolarHBondContact O-N 2.97Š| ||
| 76 | L | 41.4 | Very low | 43.9 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 92% | 0.916 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -70.7 | 68 | 168.4 | -74.3 | 159.2 | 0 | 0 | 0 | 109.7 | V74 | V74-L76 PolarHBondContact O-N 3.47Š|
| 77 | D | 37.7 | Very low | 44.2 | Very low | 158 Ų | 158 | 120 Ų | 120 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | trans | -153.4 | 50.8 | 171 | -128 | 2.5 | 0 | 0 | 0 | 112.6 | P75 | P75-D77 PolarHBondContact O-N 2.97Š| ||
| 78 | G | 43.1 | Very low | 44.7 | Very low | 64 Ų | 64 | 116.9 Ų | 116.9 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -106.5 | 110.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | Y80 | G78-Y80 PolarHBondContact O-N 3.03Š|
| 79 | G | 45.7 | Very low | 45.2 | Very low | 77 Ų | 77 | 113 Ų | 113 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | trans | -64.6 | 54.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116 | T81 | G79-T81 PolarHBondContact O-N 2.98Š| ||
| 80 | Y | 41.4 | Very low | 45.9 | Very low | 126 Ų | 126 | 110 Ų | 110 | 49% | 0.494 | 62% | 0.622 | S | S | . | * | trans | -77.1 | 107.1 | 164 | -110.1 | -94 | 0 | 0 | 0 | 108.2 | G78 D84 R85 | G78-Y80 PolarHBondContact O-N 3.03Å; Y80-D84 HydrophobicContact CD1-CB 3.74Å; Y80-D84 HydrophobicContact CE1-CB 4Å; Y80-R85 HydrophobicContact CD1-CG 4.26Å | ||
| 81 | T | 44.9 | Very low | 47 | Very low | 76 Ų | 76 | 106.3 Ų | 106.3 | 47% | 0.466 | 61% | 0.613 | S | S | . | * | trans | -69 | 151.4 | 175.5 | 70.8 | 0 | 0 | 0 | 0 | 109.6 | G79 K83 D84 R85 | G79-T81 PolarHBondContact O-N 2.98Å; T81-K83 PolarHBondContact O-N 3.1Å; T81-D84 WeakPolarHBondContact CB-OD2 2.99Å; T81-D84 PolarHBondContact N-OD2 3.33Å; T81-D84 VanDerWaalsContact N-OD2 3.11Å; T81-D84 WeakPolarHBondContact O-CB 3.39Å; T81-D84 PolarHBondContact O-N 3.34Å; T81-D84 PolarHBondContact OG1-N 3.16Å; T81-D84 PolarHBondContact OG1-OD2 2.73Å; T81-R85 PolarHBondContact O-N 3.22Å | ||
| 82 | E | 51.3 | Low | 48.2 | Very low | 168 Ų | 168 | 104 Ų | 104 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -55.3 | -25.3 | 176.6 | -170 | 169.7 | -169.9 | 0 | 0 | 112.5 | R85 L86 | E82-R85 PolarHBondContact O-N 3.31Å; E82-L86 PolarHBondContact O-N 3.37Å |
| 83 | K | 48.9 | Very low | 50.1 | Low | 171 Ų | 171 | 105.6 Ų | 105.6 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.4 | -37.7 | 175.2 | -149.6 | 175.2 | -175.3 | 176.6 | 0 | 112.7 | T81 R85 L86 S87 | T81-K83 PolarHBondContact O-N 3.1Å; K83-R85 VanDerWaalsContact C-N 3.35Å; K83-L86 PolarHBondContact O-N 3.46Å; K83-S87 PolarHBondContact O-N 3.26Å; K83-S87 PolarHBondContact O-OG 3.22Å |
| 84 | D | 52.8 | Low | 52.3 | Low | 68 Ų | 68 | 101.8 Ų | 101.8 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.7 | -37 | 174.2 | -55.2 | -40.2 | 0 | 0 | 0 | 110.5 | Y80 T81 S87 D88 | Y80-D84 HydrophobicContact CD1-CB 3.74Å; Y80-D84 HydrophobicContact CE1-CB 4Å; T81-D84 WeakPolarHBondContact CB-OD2 2.99Å; T81-D84 PolarHBondContact N-OD2 3.33Å; T81-D84 VanDerWaalsContact N-OD2 3.11Å; T81-D84 WeakPolarHBondContact O-CB 3.39Å; T81-D84 PolarHBondContact O-N 3.34Å; T81-D84 PolarHBondContact OG1-N 3.16Å; T81-D84 PolarHBondContact OG1-OD2 2.73Å; D84-S87 VanDerWaalsContact CA-OG 3.26Å; D84-S87 WeakPolarHBondContact CA-OG 3.27Å; D84-S87 PolarHBondContact O-N 3.09Å; D84-S87 PolarHBondContact O-OG 3.45Å; D84-D88 PolarHBondContact O-N 3.27Å |
| 85 | R | 52.3 | Low | 54.4 | Low | 134 Ų | 134 | 104.3 Ų | 104.3 | 51% | 0.506 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 174.5 | -62 | -177.9 | -173.7 | 172 | 2.1 | 112.9 | Y80 T81 E82 K83 A89 | Y80-R85 HydrophobicContact CD1-CG 4.26Å; T81-R85 PolarHBondContact O-N 3.22Å; E82-R85 PolarHBondContact O-N 3.31Å; K83-R85 VanDerWaalsContact C-N 3.35Å; R85-A89 WeakPolarHBondContact O-CB 3.02Å; R85-A89 PolarHBondContact O-N 3.34Å; R85-A89 VanDerWaalsContact O-N 3.14Å |
| 86 | L | 52.6 | Low | 56.8 | Low | 122 Ų | 122 | 100.2 Ų | 100.2 | 64% | 0.639 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.8 | -39 | 178.8 | -168.9 | 66.9 | 0 | 0 | 0 | 110.8 | E82 K83 A89 T90 | E82-L86 PolarHBondContact O-N 3.37Å; K83-L86 PolarHBondContact O-N 3.46Å; L86-A89 PolarHBondContact O-N 3.45Å; L86-T90 VanDerWaalsContact O-CG2 3.29Å; L86-T90 WeakPolarHBondContact O-CG2 3.45Å; L86-T90 PolarHBondContact O-N 2.93Å; L86-T90 PolarHBondContact O-OG1 2.88Å; L86-T90 VanDerWaalsContact O-OG1 3.12Å |
| 87 | S | 56.3 | Low | 58.7 | Low | 49 Ų | 49 | 92 Ų | 92 | 34% | 0.343 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -49 | 176.7 | 43.7 | 0 | 0 | 0 | 0 | 112.3 | K83 D84 A89 T90 E91 | K83-S87 PolarHBondContact O-N 3.26Å; K83-S87 PolarHBondContact O-OG 3.22Å; D84-S87 VanDerWaalsContact CA-OG 3.26Å; D84-S87 WeakPolarHBondContact CA-OG 3.27Å; D84-S87 PolarHBondContact O-N 3.09Å; D84-S87 PolarHBondContact O-OG 3.45Å; S87-A89 VanDerWaalsContact C-N 3.3Å; S87-A89 PolarHBondContact O-N 3.2Å; S87-T90 WeakPolarHBondContact CA-OG1 3.46Å; S87-T90 CarbonylContact O-C 3.56Å; S87-T90 PolarHBondContact O-N 3.34Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-T90 PolarHBondContact O-OG1 2.72Å; S87-E91 WeakPolarHBondContact O-CG 3.46Å; S87-E91 PolarHBondContact O-N 2.95Å |
| 88 | D | 59 | Low | 61.1 | Low | 71 Ų | 71 | 86 Ų | 86 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.3 | -43.1 | 174.5 | -85.9 | -18.2 | 0 | 0 | 0 | 111.9 | D84 T90 E91 E92 | D84-D88 PolarHBondContact O-N 3.27Å; D88-T90 PolarHBondContact O-N 2.93Å; D88-E91 PolarHBondContact O-N 3.3Å; D88-E92 PolarHBondContact O-N 3.09Å; D88-E92 VanDerWaalsContact O-N 3.1Å |
| 89 | A | 56.1 | Low | 63.2 | Low | 15 Ų | 15 | 86.6 Ų | 86.6 | 12% | 0.124 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R85 L86 S87 E91 E92 W93 | R85-A89 WeakPolarHBondContact O-CB 3.02Å; R85-A89 PolarHBondContact O-N 3.34Å; R85-A89 VanDerWaalsContact O-N 3.14Å; L86-A89 PolarHBondContact O-N 3.45Å; S87-A89 VanDerWaalsContact C-N 3.3Å; S87-A89 PolarHBondContact O-N 3.2Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E92 PolarHBondContact O-N 3.03Å; A89-W93 PolarHBondContact O-N 3.11Å; A89-W93 VanDerWaalsContact O-N 3.08Å |
| 90 | T | 57.4 | Low | 65.1 | Low | 87 Ų | 87 | 83.4 Ų | 83.4 | 53% | 0.534 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.6 | -26.9 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | L86 S87 D88 W93 | L86-T90 VanDerWaalsContact O-CG2 3.29Å; L86-T90 WeakPolarHBondContact O-CG2 3.45Å; L86-T90 PolarHBondContact O-N 2.93Å; L86-T90 PolarHBondContact O-OG1 2.88Å; L86-T90 VanDerWaalsContact O-OG1 3.12Å; S87-T90 WeakPolarHBondContact CA-OG1 3.46Å; S87-T90 CarbonylContact O-C 3.56Å; S87-T90 PolarHBondContact O-N 3.34Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-T90 PolarHBondContact O-OG1 2.72Å; D88-T90 PolarHBondContact O-N 2.93Å; T90-W93 CarbonylContact O-C 3.51Å |
| 91 | E | 59.5 | Low | 67.2 | Low | 117 Ų | 117 | 79 Ų | 79 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.1 | -33.5 | 174.6 | -78.2 | -158.5 | 179.3 | 0 | 0 | 113 | S87 D88 A89 K237 | S87-E91 WeakPolarHBondContact O-CG 3.46Å; S87-E91 PolarHBondContact O-N 2.95Å; D88-E91 PolarHBondContact O-N 3.3Å; A89-E91 VanDerWaalsContact C-N 3.31Å; E91-K237 PolarHBondContact O-NZ 2.96Å |
| 92 | E | 65.1 | Low | 69.3 | Low | 84 Ų | 84 | 77.7 Ų | 77.7 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.3 | -47.8 | 172.5 | -72.5 | -173.9 | -150.5 | 0 | 0 | 111.4 | R9 D88 A89 S94 | R9-E92 IonicContact CZ-OE1 3.76Å; R9-E92 IonicContact CZ-OE2 3.45Å; R9-E92 IonicContact NE-OE1 2.61Å; R9-E92 IonicContact NE-OE2 3.19Å; R9-E92 IonicContact NH2-OE1 3.54Å; R9-E92 PolarHBondContact NH2-OE1 3.18Å; R9-E92 VanDerWaalsContact NH2-OE1 3.09Å; R9-E92 IonicContact NH2-OE2 2.9Å; R9-E92 PolarHBondContact NH2-OE2 3.49Å; D88-E92 PolarHBondContact O-N 3.09Å; D88-E92 VanDerWaalsContact O-N 3.1Å; A89-E92 PolarHBondContact O-N 3.03Å; E92-S94 PolarHBondContact O-N 3.44Å |
| 93 | W | 77 | Confident | 71.1 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -95.1 | 61.1 | 178.9 | -71.9 | 92.8 | 0 | 0 | 0 | 113 | A89 T90 A98 F101 M114 | A89-W93 PolarHBondContact O-N 3.11Å; A89-W93 VanDerWaalsContact O-N 3.08Å; T90-W93 CarbonylContact O-C 3.51Å; W93-A98 HydrophobicContact CE3-CB 4.17Å; W93-F101 HydrophobicContact CH2-CD1 4.19Å; W93-F101 HydrophobicContact CH2-CD2 4.48Å; W93-F101 HydrophobicContact CH2-CG 4.12Å; W93-F101 HydrophobicContact CZ3-CB 4.12Å; W93-F101 HydrophobicContact CZ3-CD1 4.08Å; W93-F101 HydrophobicContact CZ3-CG 4.09Å; W93-M114 HydrophobicContact CH2-CB 3.87Å; W93-M114 HydrophobicContact CZ2-CB 4.22Å; W93-M114 HydrophobicContact CZ3-CB 4.43Å |
| 94 | S | 81.8 | Confident | 73 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | trans | -63.8 | 156.1 | 167.2 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | E92 A96 A97 A98 | E92-S94 PolarHBondContact O-N 3.44Å; S94-A96 PolarHBondContact O-N 3.41Å; S94-A97 WeakPolarHBondContact O-CB 3.3Å; S94-A97 PolarHBondContact O-N 3.25Å; S94-A97 VanDerWaalsContact O-N 3.07Å; S94-A97 VanDerWaalsContact OG-CB 3.26Å; S94-A97 WeakPolarHBondContact OG-CB 3.46Å; S94-A97 PolarHBondContact OG-N 2.95Å; S94-A98 PolarHBondContact O-N 2.62Å | ||
| 95 | F | 83 | Confident | 74.7 | Confident | 173 Ų | 173 | 61.9 Ų | 61.9 | 76% | 0.759 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -54.7 | -40.6 | 176.6 | 177 | -99 | 0 | 0 | 0 | 112.6 | A98 L99 | F95-A98 PolarHBondContact O-N 3.44Å; F95-L99 WeakPolarHBondContact O-CB 3.42Å; F95-L99 PolarHBondContact O-N 3.04Å |
| 96 | A | 84.5 | Confident | 76.6 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 22% | 0.223 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S94 L99 F100 I241 | S94-A96 PolarHBondContact O-N 3.41Å; A96-L99 PolarHBondContact O-N 3.24Å; A96-F100 WeakPolarHBondContact O-CB 3.45Å; A96-F100 PolarHBondContact O-N 3.34Å; A96-I241 HydrophobicContact CB-CG1 4.41Å |
| 97 | A | 82.9 | Confident | 78.3 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S94 L99 F100 F101 M114 | S94-A97 WeakPolarHBondContact O-CB 3.3Å; S94-A97 PolarHBondContact O-N 3.25Å; S94-A97 VanDerWaalsContact O-N 3.07Å; S94-A97 VanDerWaalsContact OG-CB 3.26Å; S94-A97 WeakPolarHBondContact OG-CB 3.46Å; S94-A97 PolarHBondContact OG-N 2.95Å; A97-L99 PolarHBondContact O-N 3.11Å; A97-F100 WeakPolarHBondContact O-CB 3.46Å; A97-F100 PolarHBondContact O-N 3.43Å; A97-F101 PolarHBondContact O-N 3.43Å; A97-M114 HydrophobicContact CB-CE 3.52Å; A97-M114 HydrophobicContact CB-SD 3.7Å |
| 98 | A | 86.5 | Confident | 79.8 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | W93 S94 F95 F101 V102 | W93-A98 HydrophobicContact CE3-CB 4.17Å; S94-A98 PolarHBondContact O-N 2.62Å; F95-A98 PolarHBondContact O-N 3.44Å; A98-F101 PolarHBondContact O-N 2.81Å; A98-V102 WeakPolarHBondContact O-CG2 3.37Å; A98-V102 PolarHBondContact O-N 3.49Å |
| 99 | L | 87.4 | Confident | 81.2 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 40% | 0.398 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.5 | -174.9 | 65.5 | 0 | 0 | 0 | 111.8 | F95 A96 A97 V102 L103 M244 | F95-L99 WeakPolarHBondContact O-CB 3.42Å; F95-L99 PolarHBondContact O-N 3.04Å; A96-L99 PolarHBondContact O-N 3.24Å; A97-L99 PolarHBondContact O-N 3.11Å; L99-V102 PolarHBondContact O-N 2.78Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 PolarHBondContact O-N 3.25Å; L99-M244 HydrophobicContact CD2-CE 3.8Å; L99-M244 HydrophobicContact CD2-SD 3.89Å; L99-M244 HydrophobicContact CG-CE 4.43Å; L99-M244 HydrophobicContact CG-SD 3.9Å |
| 100 | F | 85.9 | Confident | 82.5 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.2 | -178.8 | -101.3 | 0 | 0 | 0 | 111.7 | A96 A97 L103 T104 Y111 V233 P234 I240 | A96-F100 WeakPolarHBondContact O-CB 3.45Å; A96-F100 PolarHBondContact O-N 3.34Å; A97-F100 WeakPolarHBondContact O-CB 3.46Å; A97-F100 PolarHBondContact O-N 3.43Å; F100-L103 PolarHBondContact O-N 3.09Å; F100-T104 HydrophobicContact CD1-CG2 4.28Å; F100-T104 HydrophobicContact CD2-CG2 4.12Å; F100-T104 HydrophobicContact CE1-CG2 4.01Å; F100-T104 HydrophobicContact CE2-CG2 3.85Å; F100-T104 HydrophobicContact CG-CG2 4.34Å; F100-T104 HydrophobicContact CZ-CG2 3.8Å; F100-T104 WeakPolarHBondContact O-CB 3.02Å; F100-T104 VanDerWaalsContact O-CG2 3.26Å; F100-T104 WeakPolarHBondContact O-CG2 3.22Å; F100-T104 PolarHBondContact O-N 3.45Å; F100-T104 PolarHBondContact O-OG1 2.9Å; F100-Y111 AromaticContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CE2 4.37Å; F100-Y111 HydrophobicContact CE2-CE2 4.28Å; F100-Y111 AromaticContact CZ-CD2 3.57Å; F100-Y111 HydrophobicContact CZ-CD2 3.57Å; F100-Y111 AromaticContact CZ-CE2 3.57Å; F100-Y111 HydrophobicContact CZ-CE2 3.57Å; F100-V233 HydrophobicContact CE1-CG1 4.38Å; F100-P234 HydrophobicContact CE2-CG 4.12Å; F100-P234 HydrophobicContact CZ-CG 3.84Å; F100-I240 HydrophobicContact CB-CG2 3.74Å; F100-I240 HydrophobicContact CD2-CG2 3.89Å; F100-I240 HydrophobicContact CG-CG2 3.86Å |
| 101 | F | 86.5 | Confident | 83.6 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.8 | -49.7 | 173.3 | 169.1 | -105.2 | 0 | 0 | 0 | 111.9 | W93 A97 A98 T104 T105 M114 | W93-F101 HydrophobicContact CH2-CD1 4.19Å; W93-F101 HydrophobicContact CH2-CD2 4.48Å; W93-F101 HydrophobicContact CH2-CG 4.12Å; W93-F101 HydrophobicContact CZ3-CB 4.12Å; W93-F101 HydrophobicContact CZ3-CD1 4.08Å; W93-F101 HydrophobicContact CZ3-CG 4.09Å; A97-F101 PolarHBondContact O-N 3.43Å; A98-F101 PolarHBondContact O-N 2.81Å; F101-T104 PolarHBondContact O-OG1 3.34Å; F101-T105 WeakPolarHBondContact CE2-OG1 3.37Å; F101-T105 WeakPolarHBondContact O-CB 3.26Å; F101-T105 PolarHBondContact O-N 3.19Å; F101-T105 PolarHBondContact O-OG1 2.96Å; F101-M114 HydrophobicContact CB-CB 4.35Å; F101-M114 HydrophobicContact CD2-CB 4.08Å; F101-M114 WeakPolarHBondContact CD2-O 3.2Å; F101-M114 WeakPolarHBondContact CE2-O 3.25Å; F101-M114 HydrophobicContact CG-CB 4.47Å |
| 102 | V | 89.5 | Confident | 84.4 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 179.7 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | A98 L99 T105 L106 Y128 | A98-V102 WeakPolarHBondContact O-CG2 3.37Å; A98-V102 PolarHBondContact O-N 3.49Å; L99-V102 PolarHBondContact O-N 2.78Å; V102-T105 PolarHBondContact O-N 3.47Å; V102-L106 HydrophobicContact CG1-CD1 4.02Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 WeakPolarHBondContact O-CG 3.26Å; V102-L106 PolarHBondContact O-N 2.93Å; V102-Y128 HydrophobicContact CG1-CE1 4.02Å; V102-Y128 VanDerWaalsContact CG1-OH 3.29Å; V102-Y128 WeakPolarHBondContact CG1-OH 3.37Å |
| 103 | L | 88.7 | Confident | 84.9 | Confident | 39 Ų | 39 | 44 Ų | 44 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -47.6 | -178.8 | -173.8 | 69.2 | 0 | 0 | 0 | 111.5 | L99 F100 T105 L106 T107 M244 | L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 PolarHBondContact O-N 3.25Å; F100-L103 PolarHBondContact O-N 3.09Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 2.76Å; L103-T107 HydrophobicContact CD1-CG2 4.01Å; L103-T107 HydrophobicContact CG-CG2 4.22Å; L103-T107 WeakPolarHBondContact O-CB 2.76Å; L103-T107 WeakPolarHBondContact O-CG2 3.02Å; L103-T107 PolarHBondContact O-N 2.77Å; L103-T107 PolarHBondContact O-OG1 2.92Å; L103-M244 HydrophobicContact CD2-CG 3.19Å; L103-M244 HydrophobicContact CD2-SD 3.88Å; L103-M244 HydrophobicContact CG-CG 4.48Å |
| 104 | T | 87.8 | Confident | 84.9 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -32.6 | -179.7 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | F100 F101 T107 T108 I109 G110 Y111 | F100-T104 HydrophobicContact CD1-CG2 4.28Å; F100-T104 HydrophobicContact CD2-CG2 4.12Å; F100-T104 HydrophobicContact CE1-CG2 4.01Å; F100-T104 HydrophobicContact CE2-CG2 3.85Å; F100-T104 HydrophobicContact CG-CG2 4.34Å; F100-T104 HydrophobicContact CZ-CG2 3.8Å; F100-T104 WeakPolarHBondContact O-CB 3.02Å; F100-T104 VanDerWaalsContact O-CG2 3.26Å; F100-T104 WeakPolarHBondContact O-CG2 3.22Å; F100-T104 PolarHBondContact O-N 3.45Å; F100-T104 PolarHBondContact O-OG1 2.9Å; F101-T104 PolarHBondContact O-OG1 3.34Å; T104-T107 WeakPolarHBondContact CA-OG1 3.28Å; T104-T107 PolarHBondContact O-OG1 2.84Å; T104-T108 PolarHBondContact O-N 2.82Å; T104-I109 PolarHBondContact O-N 2.91Å; T104-G110 PolarHBondContact O-N 2.99Å; T104-Y111 HydrophobicContact CG2-CD2 3.83Å; T104-Y111 HydrophobicContact CG2-CE2 3.85Å |
| 105 | T | 89.8 | Confident | 84.9 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.1 | -48.3 | 173.8 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | F101 V102 L103 T108 C129 | F101-T105 WeakPolarHBondContact CE2-OG1 3.37Å; F101-T105 WeakPolarHBondContact O-CB 3.26Å; F101-T105 PolarHBondContact O-N 3.19Å; F101-T105 PolarHBondContact O-OG1 2.96Å; V102-T105 PolarHBondContact O-N 3.47Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 2.81Å; T105-T108 PolarHBondContact O-N 3.32Å; T105-T108 VanDerWaalsContact O-N 3.1Å; T105-C129 WeakPolarHBondContact CG2-SG 3.24Å |
| 106 | L | 91 | Very high | 84.8 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.1 | -32.3 | -178.3 | -72.2 | -176.7 | 0 | 0 | 0 | 113.9 | V102 L103 T108 Y128 V136 | V102-L106 HydrophobicContact CG1-CD1 4.02Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 WeakPolarHBondContact O-CG 3.26Å; V102-L106 PolarHBondContact O-N 2.93Å; L103-L106 PolarHBondContact O-N 2.76Å; L106-T108 PolarHBondContact O-N 3.44Å; L106-Y128 HydrophobicContact CD1-CE1 3.84Å; L106-Y128 WeakPolarHBondContact CD1-OH 3.26Å; L106-Y128 HydrophobicContact CD2-CD1 3.91Å; L106-Y128 HydrophobicContact CD2-CE1 3.48Å; L106-Y128 VanDerWaalsContact CD2-CE1 3.48Å; L106-Y128 HydrophobicContact CG-CE1 3.68Å; L106-V136 HydrophobicContact CB-CG2 3.85Å; L106-V136 HydrophobicContact CD1-CG2 3.99Å; L106-V136 HydrophobicContact CG-CG2 4.47Å |
| 107 | T | 87.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 4.6 | 172.4 | 54 | 0 | 0 | 0 | 0 | 112.4 | L103 T104 I109 V136 T226 L251 | L103-T107 HydrophobicContact CD1-CG2 4.01Å; L103-T107 HydrophobicContact CG-CG2 4.22Å; L103-T107 WeakPolarHBondContact O-CB 2.76Å; L103-T107 WeakPolarHBondContact O-CG2 3.02Å; L103-T107 PolarHBondContact O-N 2.77Å; L103-T107 PolarHBondContact O-OG1 2.92Å; T104-T107 WeakPolarHBondContact CA-OG1 3.28Å; T104-T107 PolarHBondContact O-OG1 2.84Å; T107-I109 PolarHBondContact O-N 3.46Å; T107-I109 VanDerWaalsContact O-N 3.11Å; T107-I109 VanDerWaalsContact OG1-CD1 3.29Å; T107-I109 WeakPolarHBondContact OG1-CD1 3.23Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.48Å; T107-V136 HydrophobicContact CG2-CG1 4.13Å; T107-T226 WeakPolarHBondContact O-CB 3.2Å; T107-T226 VanDerWaalsContact O-CG2 3.29Å; T107-T226 WeakPolarHBondContact O-CG2 3.37Å; T107-L251 HydrophobicContact CG2-CD2 3.76Å |
| 108 | T | 88.6 | Confident | 84.6 | Confident | 68 Ų | 68 | 39.7 Ų | 39.7 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 14 | 178.8 | 64.1 | 0 | 0 | 0 | 0 | 115.1 | T104 T105 L106 I133 | T104-T108 PolarHBondContact O-N 2.82Å; T105-T108 PolarHBondContact O-N 3.32Å; T105-T108 VanDerWaalsContact O-N 3.1Å; L106-T108 PolarHBondContact O-N 3.44Å; T108-I133 HydrophobicContact CG2-CD1 3.94Å; T108-I133 HydrophobicContact CG2-CG1 4.07Å; T108-I133 HydrophobicContact CG2-CG2 3.99Å |
| 109 | I | 87.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -71.2 | -53.8 | 176.3 | -57.9 | 171.6 | 0 | 0 | 0 | 109.6 | T104 T107 Y111 T226 G228 V247 | T104-I109 PolarHBondContact O-N 2.91Å; T107-I109 PolarHBondContact O-N 3.46Å; T107-I109 VanDerWaalsContact O-N 3.11Å; T107-I109 VanDerWaalsContact OG1-CD1 3.29Å; T107-I109 WeakPolarHBondContact OG1-CD1 3.23Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.48Å; I109-Y111 HydrophobicContact CG2-CD1 4.12Å; I109-Y111 HydrophobicContact CG2-CD2 4.14Å; I109-Y111 HydrophobicContact CG2-CE1 3.77Å; I109-Y111 HydrophobicContact CG2-CE2 3.78Å; I109-Y111 HydrophobicContact CG2-CG 4.3Å; I109-T226 HydrophobicContact CG1-CG2 3.98Å; I109-G228 WeakPolarHBondContact O-CA 3.39Å; I109-V247 HydrophobicContact CD1-CG1 3.09Å | ||
| 110 | G | 84.6 | Confident | 84.7 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | trans | 51.9 | 62.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T104 G112 | T104-G110 PolarHBondContact O-N 2.99Å; G110-G112 PolarHBondContact O-N 2.85Å | ||
| 111 | Y | 79.7 | Confident | 84.8 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | trans | -57.7 | -18.7 | 178.5 | -66.1 | -63 | 0 | 0 | 0 | 115.3 | F100 T104 I109 D113 S223 G230 V233 | F100-Y111 AromaticContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CE2 4.37Å; F100-Y111 HydrophobicContact CE2-CE2 4.28Å; F100-Y111 AromaticContact CZ-CD2 3.57Å; F100-Y111 HydrophobicContact CZ-CD2 3.57Å; F100-Y111 AromaticContact CZ-CE2 3.57Å; F100-Y111 HydrophobicContact CZ-CE2 3.57Å; T104-Y111 HydrophobicContact CG2-CD2 3.83Å; T104-Y111 HydrophobicContact CG2-CE2 3.85Å; I109-Y111 HydrophobicContact CG2-CD1 4.12Å; I109-Y111 HydrophobicContact CG2-CD2 4.14Å; I109-Y111 HydrophobicContact CG2-CE1 3.77Å; I109-Y111 HydrophobicContact CG2-CE2 3.78Å; I109-Y111 HydrophobicContact CG2-CG 4.3Å; Y111-D113 VanDerWaalsContact C-N 3.28Å; Y111-D113 PolarHBondContact O-N 3.49Å; Y111-S223 WeakPolarHBondContact OH-CB 3.09Å; Y111-S223 PolarHBondContact OH-OG 3.48Å; Y111-G230 VanDerWaalsContact O-CA 3.27Å; Y111-G230 WeakPolarHBondContact O-CA 3.32Å; Y111-V233 HydrophobicContact CD1-CG2 4.08Å; Y111-V233 HydrophobicContact CG-CG2 3.91Å | ||
| 112 | G | 76.7 | Confident | 84.9 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 79.3 | 1.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G110 M114 | G110-G112 PolarHBondContact O-N 2.85Å; G112-M114 VanDerWaalsContact C-N 3.31Å; G112-M114 PolarHBondContact O-N 3.45Å |
| 113 | D | 75 | Confident | 85 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -63.1 | -36.8 | 177.9 | -173.6 | 47.5 | 0 | 0 | 0 | 112.6 | Y111 V233 | Y111-D113 VanDerWaalsContact C-N 3.28Å; Y111-D113 PolarHBondContact O-N 3.49Å; D113-V233 HydrophobicContact CB-CG1 3.93Å |
| 114 | M | 76.8 | Confident | 85.2 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -124.8 | 124 | 175.9 | -63.7 | 173 | -171.6 | 0 | 0 | 108.7 | W93 A97 F101 G112 | W93-M114 HydrophobicContact CH2-CB 3.87Å; W93-M114 HydrophobicContact CZ2-CB 4.22Å; W93-M114 HydrophobicContact CZ3-CB 4.43Å; A97-M114 HydrophobicContact CB-CE 3.52Å; A97-M114 HydrophobicContact CB-SD 3.7Å; F101-M114 HydrophobicContact CB-CB 4.35Å; F101-M114 HydrophobicContact CD2-CB 4.08Å; F101-M114 WeakPolarHBondContact CD2-O 3.2Å; F101-M114 WeakPolarHBondContact CE2-O 3.25Å; F101-M114 HydrophobicContact CG-CB 4.47Å; G112-M114 VanDerWaalsContact C-N 3.31Å; G112-M114 PolarHBondContact O-N 3.45Å |
| 115 | V | 81.8 | Confident | 85.4 | Confident | 69 Ų | 69 | 65 Ų | 65 | 42% | 0.418 | 34% | 0.343 | S | S | . | . | trans | -140.4 | 146.6 | -177.3 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | M117 | V115-M117 HydrophobicContact CG2-SD 3.72Å; V115-M117 PolarHBondContact O-N 3.1Å; V115-M117 VanDerWaalsContact O-N 3.11Å | ||
| 116 | P | 82.6 | Confident | 85.5 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 22% | 0.221 | 36% | 0.362 | C | S | . | . | trans | -69.3 | 110 | 172.8 | 27.4 | -31.8 | 0 | 0 | 0 | 109.8 | R122 C125 | P116-R122 HydrophobicContact CB-CG 4.27Å; P116-R122 HydrophobicContact CG-CG 4.05Å; P116-R122 WeakPolarHBondContact O-CG 3.21Å; P116-R122 PolarHBondContact O-NE 2.74Å; P116-C125 HydrophobicContact CG-CB 4.09Å | ||
| 117 | M | 77.4 | Confident | 85.7 | Confident | 82 Ų | 82 | 71.4 Ų | 71.4 | 40% | 0.404 | 38% | 0.381 | S | S | . | . | trans | -76 | -28.2 | 178.9 | -63.1 | -56.8 | -121.4 | 0 | 0 | 112.7 | V115 R122 | V115-M117 HydrophobicContact CG2-SD 3.72Å; V115-M117 PolarHBondContact O-N 3.1Å; V115-M117 VanDerWaalsContact O-N 3.11Å; M117-R122 PolarHBondContact O-NE 3.11Å; M117-R122 PolarHBondContact O-NH2 2.61Å | ||
| 118 | T | 84.7 | Confident | 86 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -80 | 145.3 | -177.3 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | K2 E120 G121 R122 | K2-T118 WeakPolarHBondContact O-CG2 3.47Å; T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 PolarHBondContact O-N 2.88Å; T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 WeakPolarHBondContact OG1-CA 3.25Å; T118-G121 PolarHBondContact OG1-N 3.32Å; T118-R122 VanDerWaalsContact O-CG 3.31Å; T118-R122 WeakPolarHBondContact O-CG 3.47Å; T118-R122 PolarHBondContact O-N 2.98Å |
| 119 | R | 86.5 | Confident | 86.3 | Confident | 220 Ų | 220 | 73.5 Ų | 73.5 | 83% | 0.83 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -56.8 | -43.9 | 175.7 | -170.6 | 178.8 | -177.2 | -171.5 | 1 | 112.2 | R122 V123 | R119-R122 PolarHBondContact O-N 3.33Å; R119-V123 WeakPolarHBondContact O-CG2 3.14Å; R119-V123 PolarHBondContact O-N 2.84Å; R119-V123 VanDerWaalsContact O-N 3.08Å |
| 120 | E | 89.5 | Confident | 86.7 | Confident | 150 Ų | 150 | 78.7 Ų | 78.7 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 177.4 | -64.9 | 174.2 | 179.3 | 0 | 0 | 111.8 | T118 R122 V123 F124 | T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 PolarHBondContact O-N 2.88Å; E120-R122 VanDerWaalsContact C-N 3.32Å; E120-R122 PolarHBondContact O-N 3.43Å; E120-V123 PolarHBondContact O-N 3.5Å; E120-F124 WeakPolarHBondContact O-CB 3.34Å; E120-F124 PolarHBondContact O-N 3.02Å |
| 121 | G | 87.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 83 Ų | 83 | 16% | 0.155 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T118 C125 | T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 WeakPolarHBondContact OG1-CA 3.25Å; T118-G121 PolarHBondContact OG1-N 3.32Å; G121-C125 VanDerWaalsContact O-CB 3.24Å; G121-C125 WeakPolarHBondContact O-CB 3.26Å; G121-C125 PolarHBondContact O-N 3.45Å |
| 122 | R | 88.6 | Confident | 87.9 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 53% | 0.532 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 174.5 | -69.4 | 173.4 | -171.4 | -178.8 | 4.5 | 111.8 | P116 M117 T118 R119 E120 C125 L126 | P116-R122 HydrophobicContact CB-CG 4.27Å; P116-R122 HydrophobicContact CG-CG 4.05Å; P116-R122 WeakPolarHBondContact O-CG 3.21Å; P116-R122 PolarHBondContact O-NE 2.74Å; M117-R122 PolarHBondContact O-NE 3.11Å; M117-R122 PolarHBondContact O-NH2 2.61Å; T118-R122 VanDerWaalsContact O-CG 3.31Å; T118-R122 WeakPolarHBondContact O-CG 3.47Å; T118-R122 PolarHBondContact O-N 2.98Å; R119-R122 PolarHBondContact O-N 3.33Å; E120-R122 VanDerWaalsContact C-N 3.32Å; E120-R122 PolarHBondContact O-N 3.43Å; R122-C125 PolarHBondContact O-N 3.25Å; R122-L126 WeakPolarHBondContact O-CB 3.29Å; R122-L126 PolarHBondContact O-N 3.5Å |
| 123 | V | 92.8 | Very high | 88.7 | Confident | 84 Ų | 84 | 82.3 Ų | 82.3 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | R119 E120 L126 C127 | R119-V123 WeakPolarHBondContact O-CG2 3.14Å; R119-V123 PolarHBondContact O-N 2.84Å; R119-V123 VanDerWaalsContact O-N 3.08Å; E120-V123 PolarHBondContact O-N 3.5Å; V123-L126 WeakPolarHBondContact O-CB 3Å; V123-L126 PolarHBondContact O-N 3.05Å; V123-C127 PolarHBondContact O-N 3.46Å; V123-C127 PolarHBondContact O-SG 3.14Å |
| 124 | F | 92.9 | Very high | 89.6 | Confident | 150 Ų | 150 | 81 Ų | 81 | 66% | 0.658 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.2 | -47.6 | 175.4 | 177 | -96.5 | 0 | 0 | 0 | 112 | E120 L126 C127 Y128 | E120-F124 WeakPolarHBondContact O-CB 3.34Å; E120-F124 PolarHBondContact O-N 3.02Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 2.94Å; F124-C127 PolarHBondContact O-N 3.05Å; F124-Y128 WeakPolarHBondContact O-CB 3.32Å; F124-Y128 PolarHBondContact O-N 3.19Å |
| 125 | C | 91.7 | Very high | 90.4 | Very high | 21 Ų | 21 | 84.3 Ų | 84.3 | 14% | 0.142 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 176.9 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | P116 G121 R122 Y128 C129 | P116-C125 HydrophobicContact CG-CB 4.09Å; G121-C125 VanDerWaalsContact O-CB 3.24Å; G121-C125 WeakPolarHBondContact O-CB 3.26Å; G121-C125 PolarHBondContact O-N 3.45Å; R122-C125 PolarHBondContact O-N 3.25Å; C125-Y128 WeakPolarHBondContact O-CB 3.27Å; C125-Y128 PolarHBondContact O-N 3.49Å; C125-C129 WeakPolarHBondContact O-CB 3.39Å; C125-C129 PolarHBondContact O-N 3.47Å; C125-C129 PolarHBondContact O-SG 3.48Å |
| 126 | L | 92.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 82.2 Ų | 82.2 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.6 | -50.3 | 176.9 | -177.9 | 65.5 | 0 | 0 | 0 | 111.9 | R122 V123 F124 Y128 C129 I130 | R122-L126 WeakPolarHBondContact O-CB 3.29Å; R122-L126 PolarHBondContact O-N 3.5Å; V123-L126 WeakPolarHBondContact O-CB 3Å; V123-L126 PolarHBondContact O-N 3.05Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 2.94Å; L126-Y128 VanDerWaalsContact C-N 3.26Å; L126-Y128 PolarHBondContact O-N 2.74Å; L126-C129 PolarHBondContact O-N 2.92Å; L126-C129 VanDerWaalsContact O-N 3.15Å; L126-I130 HydrophobicContact CG-CD1 4.23Å; L126-I130 WeakPolarHBondContact O-CG1 3.16Å; L126-I130 PolarHBondContact O-N 3.17Å |
| 127 | C | 95.1 | Very high | 91.2 | Very high | 72 Ų | 72 | 85.6 Ų | 85.6 | 49% | 0.486 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | V123 F124 | V123-C127 PolarHBondContact O-N 3.46Å; V123-C127 PolarHBondContact O-SG 3.14Å; F124-C127 PolarHBondContact O-N 3.05Å |
| 128 | Y | 93.9 | Very high | 91.8 | Very high | 99 Ų | 99 | 85.8 Ų | 85.8 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.6 | -177.7 | -105.4 | 0 | 0 | 0 | 112.3 | V102 L106 F124 C125 L126 I131 G132 | V102-Y128 HydrophobicContact CG1-CE1 4.02Å; V102-Y128 VanDerWaalsContact CG1-OH 3.29Å; V102-Y128 WeakPolarHBondContact CG1-OH 3.37Å; L106-Y128 HydrophobicContact CD1-CE1 3.84Å; L106-Y128 WeakPolarHBondContact CD1-OH 3.26Å; L106-Y128 HydrophobicContact CD2-CD1 3.91Å; L106-Y128 HydrophobicContact CD2-CE1 3.48Å; L106-Y128 VanDerWaalsContact CD2-CE1 3.48Å; L106-Y128 HydrophobicContact CG-CE1 3.68Å; F124-Y128 WeakPolarHBondContact O-CB 3.32Å; F124-Y128 PolarHBondContact O-N 3.19Å; C125-Y128 WeakPolarHBondContact O-CB 3.27Å; C125-Y128 PolarHBondContact O-N 3.49Å; L126-Y128 VanDerWaalsContact C-N 3.26Å; L126-Y128 PolarHBondContact O-N 2.74Å; Y128-I131 PolarHBondContact O-N 3.45Å; Y128-G132 WeakPolarHBondContact O-CA 3.21Å; Y128-G132 PolarHBondContact O-N 3.45Å |
| 129 | C | 94.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 87.5 Ų | 87.5 | 13% | 0.128 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 178.6 | -69.4 | 0 | 0 | 0 | 0 | 113 | T105 C125 L126 I131 G132 I133 | T105-C129 WeakPolarHBondContact CG2-SG 3.24Å; C125-C129 WeakPolarHBondContact O-CB 3.39Å; C125-C129 PolarHBondContact O-N 3.47Å; C125-C129 PolarHBondContact O-SG 3.48Å; L126-C129 PolarHBondContact O-N 2.92Å; L126-C129 VanDerWaalsContact O-N 3.15Å; C129-I131 PolarHBondContact O-N 3.47Å; C129-G132 PolarHBondContact O-N 3.01Å; C129-I133 HydrophobicContact CB-CD1 3.81Å; C129-I133 HydrophobicContact CB-CG1 4.31Å; C129-I133 WeakPolarHBondContact O-CB 3.37Å; C129-I133 VanDerWaalsContact O-CG1 3.27Å; C129-I133 WeakPolarHBondContact O-CG1 3.32Å; C129-I133 PolarHBondContact O-N 2.81Å |
| 130 | I | 95.2 | Very high | 92.3 | Very high | 114 Ų | 114 | 77.4 Ų | 77.4 | 59% | 0.585 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.4 | -37.6 | 179.7 | -70.6 | 166.8 | 0 | 0 | 0 | 111.3 | L126 P134 | L126-I130 HydrophobicContact CG-CD1 4.23Å; L126-I130 WeakPolarHBondContact O-CG1 3.16Å; L126-I130 PolarHBondContact O-N 3.17Å; I130-P134 WeakPolarHBondContact O-CD 3.11Å; I130-P134 WeakPolarHBondContact O-CG 3.46Å |
| 131 | I | 95.2 | Very high | 92.2 | Very high | 130 Ų | 130 | 71.8 Ų | 71.8 | 67% | 0.667 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -87.8 | -42.1 | 178.8 | -59 | 172.8 | 0 | 0 | 0 | 110.9 | Y128 C129 | Y128-I131 PolarHBondContact O-N 3.45Å; C129-I131 PolarHBondContact O-N 3.47Å |
| 132 | G | 94.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 75.4 Ų | 75.4 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.5 | -39.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y128 C129 L135 V136 | Y128-G132 WeakPolarHBondContact O-CA 3.21Å; Y128-G132 PolarHBondContact O-N 3.45Å; C129-G132 PolarHBondContact O-N 3.01Å; G132-L135 PolarHBondContact O-N 3.4Å; G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.02Å |
| 133 | I | 93.6 | Very high | 92.3 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62 | -50.6 | -178 | -65.8 | 167.3 | 0 | 0 | 0 | 111.1 | T108 C129 L135 V136 L137 | T108-I133 HydrophobicContact CG2-CD1 3.94Å; T108-I133 HydrophobicContact CG2-CG1 4.07Å; T108-I133 HydrophobicContact CG2-CG2 3.99Å; C129-I133 HydrophobicContact CB-CD1 3.81Å; C129-I133 HydrophobicContact CB-CG1 4.31Å; C129-I133 WeakPolarHBondContact O-CB 3.37Å; C129-I133 VanDerWaalsContact O-CG1 3.27Å; C129-I133 WeakPolarHBondContact O-CG1 3.32Å; C129-I133 PolarHBondContact O-N 2.81Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 PolarHBondContact O-N 2.81Å; I133-V136 PolarHBondContact O-N 3.47Å; I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 HydrophobicContact CG2-CG 4.24Å; I133-L137 WeakPolarHBondContact O-CG 3.21Å; I133-L137 PolarHBondContact O-N 3.47Å |
| 134 | P | 94.6 | Very high | 91.9 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.4 | -39.7 | 175.6 | -25.8 | 34.9 | 0 | 0 | 0 | 113.1 | I130 L137 V138 | I130-P134 WeakPolarHBondContact O-CD 3.11Å; I130-P134 WeakPolarHBondContact O-CG 3.46Å; P134-L137 PolarHBondContact O-N 2.91Å; P134-V138 WeakPolarHBondContact O-CG2 3.26Å; P134-V138 PolarHBondContact O-N 3Å |
| 135 | L | 93.4 | Very high | 91.5 | Very high | 109 Ų | 109 | 66.2 Ų | 66.2 | 57% | 0.571 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 178.4 | -175.4 | 64.8 | 0 | 0 | 0 | 111.5 | G132 I133 V138 T139 | G132-L135 PolarHBondContact O-N 3.4Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 PolarHBondContact O-N 2.81Å; L135-V138 PolarHBondContact O-N 2.67Å; L135-T139 HydrophobicContact CD1-CG2 4.38Å; L135-T139 WeakPolarHBondContact O-CB 3.38Å; L135-T139 VanDerWaalsContact O-CG2 3.25Å; L135-T139 WeakPolarHBondContact O-CG2 3.33Å; L135-T139 PolarHBondContact O-N 3.28Å; L135-T139 PolarHBondContact O-OG1 3.22Å |
| 136 | V | 90.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 73 Ų | 73 | 16% | 0.158 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L106 T107 G132 I133 T139 T140 | L106-V136 HydrophobicContact CB-CG2 3.85Å; L106-V136 HydrophobicContact CD1-CG2 3.99Å; L106-V136 HydrophobicContact CG-CG2 4.47Å; T107-V136 HydrophobicContact CG2-CG1 4.13Å; G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.02Å; I133-V136 PolarHBondContact O-N 3.47Å; V136-T139 WeakPolarHBondContact CA-OG1 3.11Å; V136-T139 PolarHBondContact O-N 2.9Å; V136-T139 PolarHBondContact O-OG1 2.89Å; V136-T139 VanDerWaalsContact O-OG1 3.06Å; V136-T140 HydrophobicContact CG1-CG2 4Å; V136-T140 VanDerWaalsContact O-CB 3.29Å; V136-T140 WeakPolarHBondContact O-CB 3.04Å; V136-T140 WeakPolarHBondContact O-CG2 3.46Å; V136-T140 PolarHBondContact O-N 3.41Å; V136-T140 PolarHBondContact O-OG1 2.99Å |
| 137 | L | 89.8 | Confident | 90.9 | Very high | 105 Ų | 105 | 70.6 Ų | 70.6 | 55% | 0.55 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.6 | -71.5 | 173.6 | 0 | 0 | 0 | 112.2 | I133 P134 T140 A141 | I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 HydrophobicContact CG2-CG 4.24Å; I133-L137 WeakPolarHBondContact O-CG 3.21Å; I133-L137 PolarHBondContact O-N 3.47Å; P134-L137 PolarHBondContact O-N 2.91Å; L137-T140 WeakPolarHBondContact CA-OG1 3.15Å; L137-T140 PolarHBondContact O-OG1 3.08Å; L137-A141 WeakPolarHBondContact O-CB 3.49Å; L137-A141 PolarHBondContact O-N 3.11Å; L137-A141 VanDerWaalsContact O-N 3.08Å |
| 138 | V | 91.4 | Very high | 90.3 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | P134 L135 N142 | P134-V138 WeakPolarHBondContact O-CG2 3.26Å; P134-V138 PolarHBondContact O-N 3Å; L135-V138 PolarHBondContact O-N 2.67Å; V138-N142 PolarHBondContact O-N 3.03Å; V138-N142 VanDerWaalsContact O-N 3.11Å; V138-N142 PolarHBondContact O-ND2 3.2Å |
| 139 | T | 91.1 | Very high | 89.8 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.4 | -43.9 | -179.6 | 52 | 0 | 0 | 0 | 0 | 111.7 | L135 V136 A141 N142 V143 | L135-T139 HydrophobicContact CD1-CG2 4.38Å; L135-T139 WeakPolarHBondContact O-CB 3.38Å; L135-T139 VanDerWaalsContact O-CG2 3.25Å; L135-T139 WeakPolarHBondContact O-CG2 3.33Å; L135-T139 PolarHBondContact O-N 3.28Å; L135-T139 PolarHBondContact O-OG1 3.22Å; V136-T139 WeakPolarHBondContact CA-OG1 3.11Å; V136-T139 PolarHBondContact O-N 2.9Å; V136-T139 PolarHBondContact O-OG1 2.89Å; V136-T139 VanDerWaalsContact O-OG1 3.06Å; T139-A141 PolarHBondContact O-N 3Å; T139-N142 PolarHBondContact O-N 3.42Å; T139-V143 VanDerWaalsContact O-CG2 3.27Å; T139-V143 WeakPolarHBondContact O-CG2 3.4Å; T139-V143 PolarHBondContact O-N 3.39Å |
| 140 | T | 89 | Confident | 89.3 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.049 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.8 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | V136 L137 N142 V143 A144 F248 L251 | V136-T140 HydrophobicContact CG1-CG2 4Å; V136-T140 VanDerWaalsContact O-CB 3.29Å; V136-T140 WeakPolarHBondContact O-CB 3.04Å; V136-T140 WeakPolarHBondContact O-CG2 3.46Å; V136-T140 PolarHBondContact O-N 3.41Å; V136-T140 PolarHBondContact O-OG1 2.99Å; L137-T140 WeakPolarHBondContact CA-OG1 3.15Å; L137-T140 PolarHBondContact O-OG1 3.08Å; T140-N142 VanDerWaalsContact C-N 3.34Å; T140-N142 PolarHBondContact O-N 3.12Å; T140-V143 PolarHBondContact O-N 3.44Å; T140-A144 VanDerWaalsContact O-CB 3.27Å; T140-A144 WeakPolarHBondContact O-CB 3.08Å; T140-A144 PolarHBondContact O-N 3.21Å; T140-F248 HydrophobicContact CG2-CE2 4.5Å; T140-L251 HydrophobicContact CG2-CD2 4.03Å |
| 141 | A | 87.8 | Confident | 88.7 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L137 T139 K145 | L137-A141 WeakPolarHBondContact O-CB 3.49Å; L137-A141 PolarHBondContact O-N 3.11Å; L137-A141 VanDerWaalsContact O-N 3.08Å; T139-A141 PolarHBondContact O-N 3Å; A141-K145 WeakPolarHBondContact O-CG 3.37Å; A141-K145 PolarHBondContact O-N 3.08Å; A141-K145 VanDerWaalsContact O-N 3.13Å |
| 142 | N | 89.3 | Confident | 88 | Confident | 91 Ų | 91 | 68 Ų | 68 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 177.2 | -72.2 | -21.9 | 0 | 0 | 0 | 112.1 | V138 T139 T140 K145 F146 | V138-N142 PolarHBondContact O-N 3.03Å; V138-N142 VanDerWaalsContact O-N 3.11Å; V138-N142 PolarHBondContact O-ND2 3.2Å; T139-N142 PolarHBondContact O-N 3.42Å; T140-N142 VanDerWaalsContact C-N 3.34Å; T140-N142 PolarHBondContact O-N 3.12Å; N142-K145 PolarHBondContact O-N 2.91Å; N142-F146 PolarHBondContact O-N 3.4Å; N142-F146 VanDerWaalsContact O-N 3.14Å |
| 143 | V | 89.1 | Confident | 87.6 | Confident | 58 Ų | 58 | 73.2 Ų | 73.2 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | T139 T140 K145 F146 M147 L252 | T139-V143 VanDerWaalsContact O-CG2 3.27Å; T139-V143 WeakPolarHBondContact O-CG2 3.4Å; T139-V143 PolarHBondContact O-N 3.39Å; T140-V143 PolarHBondContact O-N 3.44Å; V143-K145 VanDerWaalsContact C-N 3.34Å; V143-K145 PolarHBondContact O-N 3.34Å; V143-F146 WeakPolarHBondContact O-CB 3.31Å; V143-F146 PolarHBondContact O-N 2.93Å; V143-F146 VanDerWaalsContact O-N 3.15Å; V143-M147 HydrophobicContact CG1-SD 4.42Å; V143-M147 PolarHBondContact O-N 3.43Å; V143-L252 HydrophobicContact CB-CD2 3.75Å; V143-L252 HydrophobicContact CG1-CD1 3.66Å; V143-L252 HydrophobicContact CG1-CD2 3.56Å; V143-L252 HydrophobicContact CG1-CG 4.26Å |
| 144 | A | 85.8 | Confident | 87 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.008 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T140 F146 M147 S148 T255 M256 | T140-A144 VanDerWaalsContact O-CB 3.27Å; T140-A144 WeakPolarHBondContact O-CB 3.08Å; T140-A144 PolarHBondContact O-N 3.21Å; A144-F146 PolarHBondContact O-N 3.36Å; A144-M147 PolarHBondContact O-N 3.29Å; A144-S148 PolarHBondContact O-N 3.35Å; A144-T255 WeakPolarHBondContact CB-OG1 3.38Å; A144-M256 HydrophobicContact CB-CG 3.73Å; A144-M256 VanDerWaalsContact O-CG 3.26Å; A144-M256 WeakPolarHBondContact O-CG 3.25Å |
| 145 | K | 84.4 | Confident | 86.4 | Confident | 122 Ų | 122 | 79.5 Ų | 79.5 | 53% | 0.53 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 174.5 | -72.3 | 171.5 | -175 | 172.7 | 0 | 112.9 | A141 N142 V143 S148 A149 | A141-K145 WeakPolarHBondContact O-CG 3.37Å; A141-K145 PolarHBondContact O-N 3.08Å; A141-K145 VanDerWaalsContact O-N 3.13Å; N142-K145 PolarHBondContact O-N 2.91Å; V143-K145 VanDerWaalsContact C-N 3.34Å; V143-K145 PolarHBondContact O-N 3.34Å; K145-S148 PolarHBondContact O-N 3.49Å; K145-S148 PolarHBondContact O-OG 2.9Å; K145-A149 PolarHBondContact O-N 2.63Å |
| 146 | F | 87.8 | Confident | 86 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 72% | 0.724 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 174.9 | 178.3 | -99.2 | 0 | 0 | 0 | 111.3 | N142 V143 A144 S148 A149 G150 | N142-F146 PolarHBondContact O-N 3.4Å; N142-F146 VanDerWaalsContact O-N 3.14Å; V143-F146 WeakPolarHBondContact O-CB 3.31Å; V143-F146 PolarHBondContact O-N 2.93Å; V143-F146 VanDerWaalsContact O-N 3.15Å; A144-F146 PolarHBondContact O-N 3.36Å; F146-S148 PolarHBondContact O-N 3.2Å; F146-A149 PolarHBondContact O-N 3.4Å; F146-G150 PolarHBondContact O-N 3.34Å; F146-G150 VanDerWaalsContact O-N 3.16Å |
| 147 | M | 83.2 | Confident | 85.7 | Confident | 56 Ų | 56 | 81.3 Ų | 81.3 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 176 | -74 | -175.5 | 63.1 | 0 | 0 | 112.6 | V143 A144 A149 G150 V151 L252 M256 | V143-M147 HydrophobicContact CG1-SD 4.42Å; V143-M147 PolarHBondContact O-N 3.43Å; A144-M147 PolarHBondContact O-N 3.29Å; M147-A149 PolarHBondContact O-N 2.79Å; M147-G150 PolarHBondContact O-N 2.83Å; M147-G150 VanDerWaalsContact O-N 3.17Å; M147-V151 WeakPolarHBondContact O-CG2 3.45Å; M147-V151 PolarHBondContact O-N 3.48Å; M147-L252 HydrophobicContact CE-CB 4.32Å; M147-L252 HydrophobicContact SD-CB 3.64Å; M147-L252 HydrophobicContact SD-CD1 3.53Å; M147-L252 VanDerWaalsContact SD-CD1 3.53Å; M147-L252 HydrophobicContact SD-CG 4.11Å; M147-M256 HydrophobicContact CB-CE 4.17Å; M147-M256 HydrophobicContact CB-SD 3.39Å; M147-M256 WeakPolarHBondContact CB-SD 3.28Å; M147-M256 HydrophobicContact CE-SD 4.3Å |
| 148 | S | 83.2 | Confident | 85.6 | Confident | 45 Ų | 45 | 82.6 Ų | 82.6 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 178.1 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | A144 K145 F146 V151 Y152 | A144-S148 PolarHBondContact O-N 3.35Å; K145-S148 PolarHBondContact O-N 3.49Å; K145-S148 PolarHBondContact O-OG 2.9Å; F146-S148 PolarHBondContact O-N 3.2Å; S148-V151 PolarHBondContact O-N 3.27Å; S148-Y152 VanDerWaalsContact O-CB 3.31Å; S148-Y152 WeakPolarHBondContact O-CB 3.03Å; S148-Y152 PolarHBondContact O-N 3.41Å |
| 149 | A | 83.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 49% | 0.488 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K145 F146 M147 Y152 F153 | K145-A149 PolarHBondContact O-N 2.63Å; F146-A149 PolarHBondContact O-N 3.4Å; M147-A149 PolarHBondContact O-N 2.79Å; A149-Y152 PolarHBondContact O-N 2.82Å; A149-F153 PolarHBondContact O-N 3.34Å |
| 150 | G | 82.5 | Confident | 85.1 | Confident | 34 Ų | 34 | 82.9 Ų | 82.9 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F146 M147 F153 L154 | F146-G150 PolarHBondContact O-N 3.34Å; F146-G150 VanDerWaalsContact O-N 3.16Å; M147-G150 PolarHBondContact O-N 2.83Å; M147-G150 VanDerWaalsContact O-N 3.17Å; G150-F153 PolarHBondContact O-N 3.36Å; G150-L154 PolarHBondContact O-N 3.27Å |
| 151 | V | 81.9 | Confident | 85.2 | Confident | 79 Ų | 79 | 87.2 Ų | 87.2 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | M147 S148 F153 L154 Y155 M256 | M147-V151 WeakPolarHBondContact O-CG2 3.45Å; M147-V151 PolarHBondContact O-N 3.48Å; S148-V151 PolarHBondContact O-N 3.27Å; V151-F153 VanDerWaalsContact C-N 3.34Å; V151-F153 PolarHBondContact O-N 2.82Å; V151-L154 PolarHBondContact O-N 2.92Å; V151-Y155 VanDerWaalsContact O-CB 3.29Å; V151-Y155 WeakPolarHBondContact O-CB 3.08Å; V151-Y155 PolarHBondContact O-N 3.07Å; V151-M256 HydrophobicContact CB-CE 4.34Å; V151-M256 HydrophobicContact CG2-CE 3.96Å |
| 152 | Y | 81.3 | Confident | 85.1 | Confident | 162 Ų | 162 | 92.7 Ų | 92.7 | 64% | 0.635 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 176.1 | 178.3 | -100.2 | 0 | 0 | 0 | 111.7 | S148 A149 Y155 V156 | S148-Y152 VanDerWaalsContact O-CB 3.31Å; S148-Y152 WeakPolarHBondContact O-CB 3.03Å; S148-Y152 PolarHBondContact O-N 3.41Å; A149-Y152 PolarHBondContact O-N 2.82Å; Y152-Y155 PolarHBondContact O-N 3.44Å; Y152-V156 HydrophobicContact CD1-CG2 4.37Å; Y152-V156 HydrophobicContact CE1-CG2 3.95Å; Y152-V156 HydrophobicContact CE2-CG2 4.11Å; Y152-V156 WeakPolarHBondContact O-CG2 3.5Å; Y152-V156 PolarHBondContact O-N 3.23Å |
| 153 | F | 85.7 | Confident | 84.9 | Confident | 120 Ų | 120 | 93.1 Ų | 93.1 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.9 | 176.5 | -101.5 | 0 | 0 | 0 | 112.7 | A149 G150 V151 Y155 V156 K157 | A149-F153 PolarHBondContact O-N 3.34Å; G150-F153 PolarHBondContact O-N 3.36Å; V151-F153 VanDerWaalsContact C-N 3.34Å; V151-F153 PolarHBondContact O-N 2.82Å; F153-Y155 VanDerWaalsContact C-N 3.34Å; F153-V156 PolarHBondContact O-N 2.95Å; F153-K157 HydrophobicContact CD1-CD 4.31Å; F153-K157 HydrophobicContact CE1-CD 3.74Å; F153-K157 HydrophobicContact CE2-CD 4.48Å; F153-K157 HydrophobicContact CZ-CD 3.86Å; F153-K157 PolarHBondContact O-N 3.43Å |
| 154 | L | 82.3 | Confident | 84.8 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 62% | 0.618 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 174.7 | -79.1 | 157.1 | 0 | 0 | 0 | 111.5 | G150 V151 K157 Y158 | G150-L154 PolarHBondContact O-N 3.27Å; V151-L154 PolarHBondContact O-N 2.92Å; L154-K157 PolarHBondContact O-N 2.89Å; L154-Y158 WeakPolarHBondContact O-CB 3.17Å; L154-Y158 PolarHBondContact O-N 2.95Å |
| 155 | Y | 82.1 | Confident | 84.8 | Confident | 129 Ų | 129 | 102.6 Ų | 102.6 | 51% | 0.506 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 178.9 | 178.3 | -111.1 | 0 | 0 | 0 | 112.1 | V151 Y152 F153 K157 Y158 L159 | V151-Y155 VanDerWaalsContact O-CB 3.29Å; V151-Y155 WeakPolarHBondContact O-CB 3.08Å; V151-Y155 PolarHBondContact O-N 3.07Å; Y152-Y155 PolarHBondContact O-N 3.44Å; F153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-K157 PolarHBondContact O-N 3.12Å; Y155-Y158 WeakPolarHBondContact O-CB 3.31Å; Y155-Y158 PolarHBondContact O-N 3.11Å; Y155-L159 HydrophobicContact CD1-CD1 3.99Å; Y155-L159 HydrophobicContact CD2-CG 4.46Å; Y155-L159 HydrophobicContact CE1-CD1 3.4Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.4Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD1 4.19Å; Y155-L159 HydrophobicContact CE2-CD2 4.16Å; Y155-L159 HydrophobicContact CE2-CG 4.07Å; Y155-L159 WeakPolarHBondContact O-CG 3.29Å; Y155-L159 PolarHBondContact O-N 3.41Å |
| 156 | V | 83.9 | Confident | 84.9 | Confident | 53 Ų | 53 | 102.8 Ų | 102.8 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | Y152 F153 Y158 L159 L160 | Y152-V156 HydrophobicContact CD1-CG2 4.37Å; Y152-V156 HydrophobicContact CE1-CG2 3.95Å; Y152-V156 HydrophobicContact CE2-CG2 4.11Å; Y152-V156 WeakPolarHBondContact O-CG2 3.5Å; Y152-V156 PolarHBondContact O-N 3.23Å; F153-V156 PolarHBondContact O-N 2.95Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 2.92Å; V156-L159 PolarHBondContact O-N 3.44Å; V156-L160 HydrophobicContact CG1-CD1 4.14Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.33Å; V156-L160 PolarHBondContact O-N 3.15Å |
| 157 | K | 84.2 | Confident | 84.8 | Confident | 119 Ų | 119 | 102.1 Ų | 102.1 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 175 | -83 | -172.3 | 167.9 | -179.3 | 0 | 112.6 | F153 L154 Y155 L160 L161 | F153-K157 HydrophobicContact CD1-CD 4.31Å; F153-K157 HydrophobicContact CE1-CD 3.74Å; F153-K157 HydrophobicContact CE2-CD 4.48Å; F153-K157 HydrophobicContact CZ-CD 3.86Å; F153-K157 PolarHBondContact O-N 3.43Å; L154-K157 PolarHBondContact O-N 2.89Å; Y155-K157 PolarHBondContact O-N 3.12Å; K157-L160 PolarHBondContact O-N 2.72Å; K157-L161 WeakPolarHBondContact O-CB 3.19Å; K157-L161 PolarHBondContact O-N 3.37Å |
| 158 | Y | 87.9 | Confident | 84.9 | Confident | 133 Ų | 133 | 101.9 Ų | 101.9 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 176.3 | 166.6 | -98.8 | 0 | 0 | 0 | 111.4 | L154 Y155 V156 L160 L161 R162 | L154-Y158 WeakPolarHBondContact O-CB 3.17Å; L154-Y158 PolarHBondContact O-N 2.95Å; Y155-Y158 WeakPolarHBondContact O-CB 3.31Å; Y155-Y158 PolarHBondContact O-N 3.11Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 2.92Å; Y158-L160 PolarHBondContact O-N 3.41Å; Y158-L161 PolarHBondContact O-N 2.92Å; Y158-R162 WeakPolarHBondContact O-CB 3.29Å; Y158-R162 PolarHBondContact O-N 2.98Å |
| 159 | L | 83.1 | Confident | 85.1 | Confident | 58 Ų | 58 | 104.9 Ų | 104.9 | 30% | 0.304 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 177 | -71.9 | -179.8 | 0 | 0 | 0 | 111.9 | Y155 V156 L161 R162 E163 | Y155-L159 HydrophobicContact CD1-CD1 3.99Å; Y155-L159 HydrophobicContact CD2-CG 4.46Å; Y155-L159 HydrophobicContact CE1-CD1 3.4Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.4Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD1 4.19Å; Y155-L159 HydrophobicContact CE2-CD2 4.16Å; Y155-L159 HydrophobicContact CE2-CG 4.07Å; Y155-L159 WeakPolarHBondContact O-CG 3.29Å; Y155-L159 PolarHBondContact O-N 3.41Å; V156-L159 PolarHBondContact O-N 3.44Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.95Å; L159-R162 PolarHBondContact O-N 3.34Å; L159-E163 PolarHBondContact O-N 2.71Å |
| 160 | L | 89.5 | Confident | 84.9 | Confident | 98 Ų | 98 | 104.7 Ų | 104.7 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.6 | -68.8 | 173 | 0 | 0 | 0 | 112 | V156 K157 Y158 K164 | V156-L160 HydrophobicContact CG1-CD1 4.14Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.33Å; V156-L160 PolarHBondContact O-N 3.15Å; K157-L160 PolarHBondContact O-N 2.72Å; Y158-L160 PolarHBondContact O-N 3.41Å; L160-K164 WeakPolarHBondContact O-CG 3.44Å; L160-K164 PolarHBondContact O-N 2.88Å |
| 161 | L | 90.7 | Very high | 84.9 | Confident | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 176.5 | -174.7 | 66.4 | 0 | 0 | 0 | 111.5 | K157 Y158 L159 E163 K164 M165 | K157-L161 WeakPolarHBondContact O-CB 3.19Å; K157-L161 PolarHBondContact O-N 3.37Å; Y158-L161 PolarHBondContact O-N 2.92Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.95Å; L161-E163 VanDerWaalsContact C-N 3.35Å; L161-E163 PolarHBondContact O-N 3.39Å; L161-K164 PolarHBondContact O-N 3.46Å; L161-M165 HydrophobicContact CG-CE 4.28Å; L161-M165 PolarHBondContact O-N 3.36Å |
| 162 | R | 85.4 | Confident | 84.9 | Confident | 147 Ų | 147 | 110.4 Ų | 110.4 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 176.5 | -179.4 | -175.6 | 173.7 | -160.9 | -0.4 | 111.1 | Y158 L159 K164 M165 F166 | Y158-R162 WeakPolarHBondContact O-CB 3.29Å; Y158-R162 PolarHBondContact O-N 2.98Å; L159-R162 PolarHBondContact O-N 3.34Å; R162-K164 PolarHBondContact O-N 3.47Å; R162-M165 PolarHBondContact O-N 3.1Å; R162-F166 VanDerWaalsContact O-CB 3.26Å; R162-F166 WeakPolarHBondContact O-CB 3.5Å; R162-F166 PolarHBondContact O-N 3.08Å |
| 163 | E | 86.6 | Confident | 84.7 | Confident | 101 Ų | 101 | 108.6 Ų | 108.6 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.8 | -79.1 | -166.6 | -172.3 | 0 | 0 | 112.6 | L159 L161 F166 R167 | L159-E163 PolarHBondContact O-N 2.71Å; L161-E163 VanDerWaalsContact C-N 3.35Å; L161-E163 PolarHBondContact O-N 3.39Å; E163-F166 PolarHBondContact O-N 3.37Å; E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.9Å; E163-R167 IonicContact OE2-NH2 3.85Å; E163-R167 PolarHBondContact OE2-NH2 3.27Å |
| 164 | K | 86.4 | Confident | 84.2 | Confident | 144 Ų | 144 | 108.3 Ų | 108.3 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -47.3 | 176.3 | -72.6 | 176.5 | -179.9 | -177.9 | 0 | 111.4 | L160 L161 R162 R167 A168 | L160-K164 WeakPolarHBondContact O-CG 3.44Å; L160-K164 PolarHBondContact O-N 2.88Å; L161-K164 PolarHBondContact O-N 3.46Å; R162-K164 PolarHBondContact O-N 3.47Å; K164-R167 PolarHBondContact O-N 2.89Å; K164-A168 WeakPolarHBondContact O-CB 3.44Å; K164-A168 PolarHBondContact O-N 2.94Å |
| 165 | M | 85.6 | Confident | 83.8 | Confident | 113 Ų | 113 | 110.8 Ų | 110.8 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 175.3 | -83.7 | -164.7 | -66.8 | 0 | 0 | 112.1 | L161 R162 R167 A168 L169 | L161-M165 HydrophobicContact CG-CE 4.28Å; L161-M165 PolarHBondContact O-N 3.36Å; R162-M165 PolarHBondContact O-N 3.1Å; M165-R167 PolarHBondContact O-N 3.4Å; M165-A168 PolarHBondContact O-N 2.92Å; M165-L169 VanDerWaalsContact O-CB 3.28Å; M165-L169 WeakPolarHBondContact O-CB 3.43Å; M165-L169 PolarHBondContact O-N 3.47Å |
| 166 | F | 86.1 | Confident | 83.1 | Confident | 127 Ų | 127 | 111.5 Ų | 111.5 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 178.3 | -176.7 | -105.7 | 0 | 0 | 0 | 111.6 | R162 E163 N170 | R162-F166 VanDerWaalsContact O-CB 3.26Å; R162-F166 WeakPolarHBondContact O-CB 3.5Å; R162-F166 PolarHBondContact O-N 3.08Å; E163-F166 PolarHBondContact O-N 3.37Å; F166-N170 WeakPolarHBondContact CD1-ND2 3.26Å; F166-N170 WeakPolarHBondContact CE1-ND2 3.35Å; F166-N170 WeakPolarHBondContact CZ-ND2 3.4Å; F166-N170 VanDerWaalsContact O-CB 3.31Å; F166-N170 WeakPolarHBondContact O-CB 3.41Å; F166-N170 VanDerWaalsContact O-CG 3.3Å; F166-N170 PolarHBondContact O-N 3.13Å; F166-N170 PolarHBondContact O-ND2 2.89Å |
| 167 | R | 86.8 | Confident | 82 | Confident | 151 Ų | 151 | 113.9 Ų | 113.9 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 172.8 | -68.9 | -178.4 | -133.4 | -176.6 | 1.8 | 111.5 | E163 K164 M165 N170 H171 | E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.9Å; E163-R167 IonicContact OE2-NH2 3.85Å; E163-R167 PolarHBondContact OE2-NH2 3.27Å; K164-R167 PolarHBondContact O-N 2.89Å; M165-R167 PolarHBondContact O-N 3.4Å; R167-N170 PolarHBondContact O-N 3.39Å; R167-H171 PolarHBondContact O-CD2 2.83Å; R167-H171 PolarHBondContact O-N 3.5Å |
| 168 | A | 84.5 | Confident | 81.1 | Confident | 51 Ų | 51 | 117.9 Ų | 117.9 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K164 M165 H171 L172 | K164-A168 WeakPolarHBondContact O-CB 3.44Å; K164-A168 PolarHBondContact O-N 2.94Å; M165-A168 PolarHBondContact O-N 2.92Å; A168-H171 WeakPolarHBondContact O-CB 3.21Å; A168-H171 PolarHBondContact O-N 3.43Å; A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.45Å |
| 169 | L | 86.8 | Confident | 80 | Confident | 108 Ų | 108 | 118.1 Ų | 118.1 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 176.3 | -175.4 | 69.3 | 0 | 0 | 0 | 111.2 | M165 H171 L172 K173 | M165-L169 VanDerWaalsContact O-CB 3.28Å; M165-L169 WeakPolarHBondContact O-CB 3.43Å; M165-L169 PolarHBondContact O-N 3.47Å; L169-H171 VanDerWaalsContact C-N 3.31Å; L169-H171 PolarHBondContact O-N 3.07Å; L169-L172 PolarHBondContact O-N 3.28Å; L169-K173 VanDerWaalsContact O-CB 3.24Å; L169-K173 WeakPolarHBondContact O-CB 3.49Å; L169-K173 PolarHBondContact O-N 3.47Å |
| 170 | N | 79.1 | Confident | 78.6 | Confident | 54 Ų | 54 | 119.6 Ų | 119.6 | 29% | 0.289 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 175.2 | -78.9 | -18.9 | 0 | 0 | 0 | 112 | F166 R167 Q174 | F166-N170 WeakPolarHBondContact CD1-ND2 3.26Å; F166-N170 WeakPolarHBondContact CE1-ND2 3.35Å; F166-N170 WeakPolarHBondContact CZ-ND2 3.4Å; F166-N170 VanDerWaalsContact O-CB 3.31Å; F166-N170 WeakPolarHBondContact O-CB 3.41Å; F166-N170 VanDerWaalsContact O-CG 3.3Å; F166-N170 PolarHBondContact O-N 3.13Å; F166-N170 PolarHBondContact O-ND2 2.89Å; R167-N170 PolarHBondContact O-N 3.39Å; N170-Q174 WeakPolarHBondContact O-CB 3.47Å; N170-Q174 VanDerWaalsContact O-CG 3.29Å; N170-Q174 WeakPolarHBondContact O-CG 3.24Å; N170-Q174 PolarHBondContact O-N 3.08Å |
| 171 | H | 83.3 | Confident | 76.9 | Confident | 126 Ų | 126 | 121.3 Ų | 121.3 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.3 | -44.3 | 171.8 | -84.4 | -65.1 | 0 | 0 | 0 | 112.1 | R167 A168 L169 R175 | R167-H171 PolarHBondContact O-CD2 2.83Å; R167-H171 PolarHBondContact O-N 3.5Å; A168-H171 WeakPolarHBondContact O-CB 3.21Å; A168-H171 PolarHBondContact O-N 3.43Å; L169-H171 VanDerWaalsContact C-N 3.31Å; L169-H171 PolarHBondContact O-N 3.07Å; H171-R175 WeakPolarHBondContact O-CG 3.45Å; H171-R175 PolarHBondContact O-N 3.37Å |
| 172 | L | 81.7 | Confident | 74.8 | Confident | 107 Ų | 107 | 125.3 Ų | 125.3 | 56% | 0.56 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.7 | -44.3 | 176.7 | -70.2 | 172.9 | 0 | 0 | 0 | 112.1 | A168 L169 Q174 R175 Y176 | A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.45Å; L169-L172 PolarHBondContact O-N 3.28Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.97Å; L172-R175 CarbonylContact O-C 3.57Å; L172-R175 WeakPolarHBondContact O-CB 3.38Å; L172-R175 PolarHBondContact O-N 2.88Å; L172-R175 VanDerWaalsContact O-N 3.11Å; L172-Y176 PolarHBondContact O-N 3.41Å |
| 173 | K | 76.3 | Confident | 73.2 | Confident | 125 Ų | 125 | 122.6 Ų | 122.6 | 54% | 0.543 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.8 | -44.3 | 175.3 | -177.3 | 180 | 179.3 | -179.8 | 0 | 111.1 | L169 R175 Y176 I177 | L169-K173 VanDerWaalsContact O-CB 3.24Å; L169-K173 WeakPolarHBondContact O-CB 3.49Å; L169-K173 PolarHBondContact O-N 3.47Å; K173-R175 VanDerWaalsContact C-N 3.34Å; K173-R175 PolarHBondContact O-N 3.3Å; K173-Y176 PolarHBondContact O-N 2.85Å; K173-I177 HydrophobicContact CG-CD1 3.98Å; K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 3.22Å |
| 174 | Q | 75.6 | Confident | 71.3 | Confident | 114 Ų | 114 | 123.8 Ų | 123.8 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.2 | -38 | 174.5 | -78.9 | -176.9 | -7.7 | 0 | 0 | 112.4 | N170 L172 R178 | N170-Q174 WeakPolarHBondContact O-CB 3.47Å; N170-Q174 VanDerWaalsContact O-CG 3.29Å; N170-Q174 WeakPolarHBondContact O-CG 3.24Å; N170-Q174 PolarHBondContact O-N 3.08Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.97Å; Q174-R178 WeakPolarHBondContact O-CB 3.29Å; Q174-R178 PolarHBondContact O-N 2.62Å; Q174-R178 VanDerWaalsContact O-N 3.16Å |
| 175 | R | 74.8 | Confident | 69.4 | Low | 170 Ų | 170 | 126 Ų | 126 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 173.8 | -73.6 | 179 | 102.1 | 174 | 6.4 | 111.9 | H171 L172 K173 R178 M179 | H171-R175 WeakPolarHBondContact O-CG 3.45Å; H171-R175 PolarHBondContact O-N 3.37Å; L172-R175 CarbonylContact O-C 3.57Å; L172-R175 WeakPolarHBondContact O-CB 3.38Å; L172-R175 PolarHBondContact O-N 2.88Å; L172-R175 VanDerWaalsContact O-N 3.11Å; K173-R175 VanDerWaalsContact C-N 3.34Å; K173-R175 PolarHBondContact O-N 3.3Å; R175-R178 PolarHBondContact O-N 2.86Å; R175-M179 HydrophobicContact CB-CE 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 2.94Å; R175-M179 VanDerWaalsContact O-N 3.09Å |
| 176 | Y | 66.2 | Low | 67.8 | Low | 143 Ų | 143 | 127.4 Ų | 127.4 | 56% | 0.561 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.8 | -48.7 | 177.1 | -179.4 | -94.6 | 0 | 0 | 0 | 112 | L172 K173 R178 M179 N180 | L172-Y176 PolarHBondContact O-N 3.41Å; K173-Y176 PolarHBondContact O-N 2.85Å; Y176-R178 PolarHBondContact O-N 3.33Å; Y176-M179 PolarHBondContact O-N 2.89Å; Y176-N180 VanDerWaalsContact CE2-ND2 3.26Å; Y176-N180 WeakPolarHBondContact CE2-ND2 3.47Å; Y176-N180 PolarHBondContact O-N 3.04Å |
| 177 | I | 62.3 | Low | 66.2 | Low | 103 Ų | 103 | 124.5 Ų | 124.5 | 53% | 0.528 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.3 | -33.6 | 176 | -68.6 | 168.5 | 0 | 0 | 0 | 111.5 | K173 | K173-I177 HydrophobicContact CG-CD1 3.98Å; K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 3.22Å |
| 178 | R | 65 | Low | 64.8 | Low | 203 Ų | 203 | 122.6 Ų | 122.6 | 77% | 0.766 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.2 | -23.9 | 178.1 | -158 | -175.6 | -62.6 | -171.9 | -1.1 | 113.2 | Q174 R175 Y176 | Q174-R178 WeakPolarHBondContact O-CB 3.29Å; Q174-R178 PolarHBondContact O-N 2.62Å; Q174-R178 VanDerWaalsContact O-N 3.16Å; R175-R178 PolarHBondContact O-N 2.86Å; Y176-R178 PolarHBondContact O-N 3.33Å |
| 179 | M | 63.7 | Low | 63.5 | Low | 139 Ų | 139 | 128.1 Ų | 128.1 | 69% | 0.685 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -96.6 | -30.2 | -177.8 | -72.6 | -169.9 | -70.4 | 0 | 0 | 113.5 | R175 Y176 | R175-M179 HydrophobicContact CB-CE 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 2.94Å; R175-M179 VanDerWaalsContact O-N 3.09Å; Y176-M179 PolarHBondContact O-N 2.89Å |
| 180 | N | 53.4 | Low | 62.1 | Low | 88 Ų | 88 | 126.5 Ų | 126.5 | 47% | 0.471 | 64% | 0.643 | S | S | . | * | trans | -121.3 | 94.7 | -177.6 | -71.3 | -13.2 | 0 | 0 | 0 | 110.2 | Y176 E182 | Y176-N180 VanDerWaalsContact CE2-ND2 3.26Å; Y176-N180 WeakPolarHBondContact CE2-ND2 3.47Å; Y176-N180 PolarHBondContact O-N 3.04Å; N180-E182 VanDerWaalsContact C-N 3.34Å | ||
| 181 | V | 54.6 | Low | 61.1 | Low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | trans | -84.1 | -7.6 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 182 | E | 46.4 | Very low | 59.8 | Low | 184 Ų | 184 | 127.8 Ų | 127.8 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | trans | -118.6 | 99.4 | -177.6 | -73.7 | 171.4 | 172.1 | 0 | 0 | 110.9 | N180 | N180-E182 VanDerWaalsContact C-N 3.34Š| ||
| 183 | A | 51.9 | Low | 58.6 | Low | 89 Ų | 89 | 129.9 Ų | 129.9 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | trans | -98.6 | 125.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 184 | P | 47.6 | Very low | 57.7 | Low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | trans | -76.1 | 136.3 | -178.1 | 29.6 | -32 | 0 | 0 | 0 | 111.5 | V186 | P184-V186 PolarHBondContact O-N 2.91Š| ||
| 185 | K | 46.3 | Very low | 57 | Low | 190 Ų | 190 | 128.2 Ų | 128.2 | 83% | 0.826 | 66% | 0.659 | S | S | * | * | trans | -90.7 | 19.8 | -172.1 | -72.7 | -177.7 | 175.7 | 176.8 | 0 | 115.5 | ||||
| 186 | V | 50.5 | Low | 56.5 | Low | 142 Ų | 142 | 126.5 Ų | 126.5 | 86% | 0.861 | 66% | 0.658 | S | S | * | * | trans | -125.3 | 48.8 | -164.1 | -161.4 | 0 | 0 | 0 | 0 | 114.1 | P184 | P184-V186 PolarHBondContact O-N 2.91Š| ||
| 187 | S | 54.2 | Low | 56.3 | Low | 67 Ų | 67 | 122.7 Ų | 122.7 | 47% | 0.469 | 65% | 0.653 | S | S | . | * | trans | -123.7 | 2.2 | 165.4 | 76.9 | 0 | 0 | 0 | 0 | 115.2 | E189 D191 | S187-E189 PolarHBondContact O-N 3.27Å; S187-D191 VanDerWaalsContact O-CB 3.32Å; S187-D191 WeakPolarHBondContact O-CB 3.35Å; S187-D191 PolarHBondContact O-N 2.95Å; S187-D191 PolarHBondContact OG-OD2 3.29Å; S187-D191 VanDerWaalsContact OG-OD2 3.05Å | ||
| 188 | I | 56.9 | Low | 56.1 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 57% | 0.569 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.8 | -33.1 | -167.2 | -60.3 | 172.7 | 0 | 0 | 0 | 113.6 | Q192 | I188-Q192 VanDerWaalsContact O-CG 3.26Å; I188-Q192 WeakPolarHBondContact O-CG 3.32Å; I188-Q192 PolarHBondContact O-N 3.37Å |
| 189 | E | 57.6 | Low | 55.8 | Low | 166 Ų | 166 | 117.9 Ų | 117.9 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -82.2 | -38 | -174.9 | -71 | 176.6 | 179.8 | 0 | 0 | 113.5 | S187 Q192 M193 | S187-E189 PolarHBondContact O-N 3.27Å; E189-Q192 PolarHBondContact O-N 3.15Å; E189-M193 PolarHBondContact O-N 2.8Å |
| 190 | A | 56.3 | Low | 55.5 | Low | 75 Ų | 75 | 115.7 Ų | 115.7 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.8 | -36 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L194 | A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 3.46Å; A190-L194 VanDerWaalsContact O-N 3.11Å |
| 191 | D | 58.3 | Low | 55.6 | Low | 86 Ų | 86 | 116.3 Ų | 116.3 | 46% | 0.46 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.9 | -39.1 | 175 | -72.5 | -23 | 0 | 0 | 0 | 111.1 | S187 L195 | S187-D191 VanDerWaalsContact O-CB 3.32Å; S187-D191 WeakPolarHBondContact O-CB 3.35Å; S187-D191 PolarHBondContact O-N 2.95Å; S187-D191 PolarHBondContact OG-OD2 3.29Å; S187-D191 VanDerWaalsContact OG-OD2 3.05Å; D191-L195 VanDerWaalsContact O-CB 3.26Å; D191-L195 WeakPolarHBondContact O-CB 3.29Å; D191-L195 PolarHBondContact O-N 3.36Å |
| 192 | Q | 57.1 | Low | 55.7 | Low | 121 Ų | 121 | 115.8 Ų | 115.8 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 179 | -79.5 | 176.2 | -11.4 | 0 | 0 | 113.5 | I188 E189 L195 Q196 | I188-Q192 VanDerWaalsContact O-CG 3.26Å; I188-Q192 WeakPolarHBondContact O-CG 3.32Å; I188-Q192 PolarHBondContact O-N 3.37Å; E189-Q192 PolarHBondContact O-N 3.15Å; Q192-L195 WeakPolarHBondContact O-CB 3.33Å; Q192-L195 PolarHBondContact O-N 3.36Å; Q192-Q196 PolarHBondContact O-N 3.34Å; Q192-Q196 VanDerWaalsContact O-N 3.09Å |
| 193 | M | 55.1 | Low | 56.2 | Low | 151 Ų | 151 | 115.5 Ų | 115.5 | 74% | 0.744 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.8 | -33.4 | -179.5 | -160.6 | 175.5 | 137.3 | 0 | 0 | 111.9 | E189 S197 | E189-M193 PolarHBondContact O-N 2.8Å; M193-S197 PolarHBondContact O-N 2.9Å; M193-S197 PolarHBondContact O-OG 3.24Å |
| 194 | L | 57.8 | Low | 56.4 | Low | 105 Ų | 105 | 116 Ų | 116 | 55% | 0.55 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.9 | -35.4 | 171.9 | -161.6 | 138.9 | 0 | 0 | 0 | 111.3 | A190 Q196 S197 L198 | A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 3.46Å; A190-L194 VanDerWaalsContact O-N 3.11Å; L194-Q196 PolarHBondContact O-N 3.29Å; L194-S197 PolarHBondContact O-OG 3.12Å; L194-S197 VanDerWaalsContact O-OG 3.1Å; L194-L198 HydrophobicContact CD2-CD1 3.47Å; L194-L198 VanDerWaalsContact CD2-CD1 3.47Å; L194-L198 HydrophobicContact CD2-CG 4.09Å; L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 3.5Å |
| 195 | L | 61.9 | Low | 57 | Low | 98 Ų | 98 | 119 Ų | 119 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.8 | -47 | 172.3 | -139.3 | 86 | 0 | 0 | 0 | 111.4 | D191 Q192 S197 L198 E199 | D191-L195 VanDerWaalsContact O-CB 3.26Å; D191-L195 WeakPolarHBondContact O-CB 3.29Å; D191-L195 PolarHBondContact O-N 3.36Å; Q192-L195 WeakPolarHBondContact O-CB 3.33Å; Q192-L195 PolarHBondContact O-N 3.36Å; L195-S197 PolarHBondContact O-N 2.98Å; L195-L198 PolarHBondContact O-N 3.22Å; L195-E199 WeakPolarHBondContact O-CB 3.42Å; L195-E199 VanDerWaalsContact O-CG 3.28Å; L195-E199 WeakPolarHBondContact O-CG 3.29Å; L195-E199 PolarHBondContact O-N 2.93Å |
| 196 | Q | 63.4 | Low | 57.9 | Low | 134 Ų | 134 | 114.5 Ų | 114.5 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.8 | -32.5 | -174.5 | -165.6 | 170.3 | -2.1 | 0 | 0 | 113.2 | Q192 L194 T200 | Q192-Q196 PolarHBondContact O-N 3.34Å; Q192-Q196 VanDerWaalsContact O-N 3.09Å; L194-Q196 PolarHBondContact O-N 3.29Å; Q196-T200 PolarHBondContact O-N 2.93Å; Q196-T200 PolarHBondContact O-OG1 3.49Å; Q196-T200 VanDerWaalsContact O-OG1 3.09Å |
| 197 | S | 61.3 | Low | 58.7 | Low | 64 Ų | 64 | 110.3 Ų | 110.3 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -77.6 | -31.1 | 173.9 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | M193 L194 L195 T200 L201 | M193-S197 PolarHBondContact O-N 2.9Å; M193-S197 PolarHBondContact O-OG 3.24Å; L194-S197 PolarHBondContact O-OG 3.12Å; L194-S197 VanDerWaalsContact O-OG 3.1Å; L195-S197 PolarHBondContact O-N 2.98Å; S197-T200 PolarHBondContact O-OG1 2.97Å; S197-L201 WeakPolarHBondContact O-CB 3.33Å; S197-L201 PolarHBondContact O-N 3.48Å |
| 198 | L | 59.7 | Low | 59.4 | Low | 93 Ų | 93 | 110 Ų | 110 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.7 | -44.1 | 167.4 | -73.2 | 177.7 | 0 | 0 | 0 | 111.6 | L194 L195 T200 L201 E202 | L194-L198 HydrophobicContact CD2-CD1 3.47Å; L194-L198 VanDerWaalsContact CD2-CD1 3.47Å; L194-L198 HydrophobicContact CD2-CG 4.09Å; L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 3.5Å; L195-L198 PolarHBondContact O-N 3.22Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 3.47Å; L198-L201 PolarHBondContact O-N 3.48Å; L198-E202 WeakPolarHBondContact O-CA 3.45Å; L198-E202 WeakPolarHBondContact O-CB 3.34Å; L198-E202 PolarHBondContact O-N 2.83Å |
| 199 | E | 57.2 | Low | 60.1 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 52% | 0.523 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.2 | -39.9 | 179.9 | -82.5 | 175.9 | 178.7 | 0 | 0 | 112.7 | L195 Y203 | L195-E199 WeakPolarHBondContact O-CB 3.42Å; L195-E199 VanDerWaalsContact O-CG 3.28Å; L195-E199 WeakPolarHBondContact O-CG 3.29Å; L195-E199 PolarHBondContact O-N 2.93Å; E199-Y203 VanDerWaalsContact O-CB 3.27Å; E199-Y203 WeakPolarHBondContact O-CB 3.44Å; E199-Y203 PolarHBondContact O-N 2.96Å |
| 200 | T | 57.5 | Low | 60.9 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.7 | -37.9 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 112.9 | Q196 S197 L198 | Q196-T200 PolarHBondContact O-N 2.93Å; Q196-T200 PolarHBondContact O-OG1 3.49Å; Q196-T200 VanDerWaalsContact O-OG1 3.09Å; S197-T200 PolarHBondContact O-OG1 2.97Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 3.47Å |
| 201 | L | 55.1 | Low | 61.8 | Low | 102 Ų | 102 | 103.9 Ų | 103.9 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.9 | -30.5 | 177.9 | -152.3 | 136.4 | 0 | 0 | 0 | 112 | S197 L198 R205 | S197-L201 WeakPolarHBondContact O-CB 3.33Å; S197-L201 PolarHBondContact O-N 3.48Å; L198-L201 PolarHBondContact O-N 3.48Å; L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 PolarHBondContact O-N 3.39Å |
| 202 | E | 56.7 | Low | 62.6 | Low | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.9 | -41.9 | 172.3 | -167.9 | 166.4 | -161.1 | 0 | 0 | 110.4 | L198 V204 R205 L206 | L198-E202 WeakPolarHBondContact O-CA 3.45Å; L198-E202 WeakPolarHBondContact O-CB 3.34Å; L198-E202 PolarHBondContact O-N 2.83Å; E202-V204 PolarHBondContact O-N 2.86Å; E202-R205 CarbonylContact O-C 3.53Å; E202-R205 PolarHBondContact O-N 3.43Å; E202-L206 WeakPolarHBondContact O-CA 3.27Å; E202-L206 WeakPolarHBondContact O-CB 3.32Å; E202-L206 PolarHBondContact O-N 3.32Å |
| 203 | Y | 57.7 | Low | 63.6 | Low | 177 Ų | 177 | 105 Ų | 105 | 69% | 0.694 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.5 | -44.5 | 176.8 | -175.4 | -98 | 0 | 0 | 0 | 113.6 | E199 L206 S207 | E199-Y203 VanDerWaalsContact O-CB 3.27Å; E199-Y203 WeakPolarHBondContact O-CB 3.44Å; E199-Y203 PolarHBondContact O-N 2.96Å; Y203-L206 PolarHBondContact O-N 3.15Å; Y203-S207 PolarHBondContact O-N 3.48Å |
| 204 | V | 57.1 | Low | 64.7 | Low | 100 Ų | 100 | 103 Ų | 103 | 61% | 0.606 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.3 | -34.6 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 112 | E202 L206 S207 | E202-V204 PolarHBondContact O-N 2.86Å; V204-L206 VanDerWaalsContact C-N 3.31Å; V204-S207 PolarHBondContact O-OG 2.88Å |
| 205 | R | 59.9 | Low | 65.5 | Low | 190 Ų | 190 | 101.8 Ų | 101.8 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -75 | -18.4 | 171.8 | -85.1 | -175.1 | 177.5 | 177.1 | 0.8 | 113.6 | L201 E202 P209 | L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 PolarHBondContact O-N 3.39Å; E202-R205 CarbonylContact O-C 3.53Å; E202-R205 PolarHBondContact O-N 3.43Å; R205-P209 WeakPolarHBondContact O-CD 3.35Å; R205-P209 WeakPolarHBondContact O-CG 3.26Å |
| 206 | L | 63.6 | Low | 66.3 | Low | 96 Ų | 96 | 100.9 Ų | 100.9 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -84.1 | -30.1 | 177.7 | -170.5 | 73.1 | 0 | 0 | 0 | 110.9 | E202 Y203 V204 P209 V210 | E202-L206 WeakPolarHBondContact O-CA 3.27Å; E202-L206 WeakPolarHBondContact O-CB 3.32Å; E202-L206 PolarHBondContact O-N 3.32Å; Y203-L206 PolarHBondContact O-N 3.15Å; V204-L206 VanDerWaalsContact C-N 3.31Å; L206-P209 VanDerWaalsContact O-CD 3.24Å; L206-P209 WeakPolarHBondContact O-CD 3.38Å; L206-P209 VanDerWaalsContact O-CG 3.26Å; L206-P209 WeakPolarHBondContact O-CG 3.42Å; L206-V210 HydrophobicContact CD1-CG2 4.49Å; L206-V210 HydrophobicContact CG-CG2 4.04Å; L206-V210 WeakPolarHBondContact O-CB 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 2.98Å |
| 207 | S | 68.7 | Low | 67 | Low | 54 Ų | 54 | 96.1 Ų | 96.1 | 38% | 0.378 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | -179.3 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | Y203 V204 V210 I211 | Y203-S207 PolarHBondContact O-N 3.48Å; V204-S207 PolarHBondContact O-OG 2.88Å; S207-V210 PolarHBondContact O-N 3.04Å; S207-I211 VanDerWaalsContact O-CG1 3.3Å; S207-I211 WeakPolarHBondContact O-CG1 3.41Å; S207-I211 PolarHBondContact O-N 2.95Å |
| 208 | A | 67.5 | Low | 67.7 | Low | 61 Ų | 61 | 97.4 Ų | 97.4 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -50 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V210 I211 L212 | A208-V210 VanDerWaalsContact C-N 3.28Å; A208-V210 PolarHBondContact O-N 2.86Å; A208-I211 PolarHBondContact O-N 3.07Å; A208-L212 WeakPolarHBondContact O-CB 3.38Å; A208-L212 PolarHBondContact O-N 3.32Å |
| 209 | P | 73.4 | Confident | 68.4 | Low | 63 Ų | 63 | 93.9 Ų | 93.9 | 41% | 0.409 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -27.1 | 174.6 | 27.3 | -33.9 | 0 | 0 | 0 | 111.9 | R205 L206 L213 | R205-P209 WeakPolarHBondContact O-CD 3.35Å; R205-P209 WeakPolarHBondContact O-CG 3.26Å; L206-P209 VanDerWaalsContact O-CD 3.24Å; L206-P209 WeakPolarHBondContact O-CD 3.38Å; L206-P209 VanDerWaalsContact O-CG 3.26Å; L206-P209 WeakPolarHBondContact O-CG 3.42Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 PolarHBondContact O-N 2.84Å |
| 210 | V | 74.2 | Confident | 69.3 | Low | 60 Ų | 60 | 89.2 Ų | 89.2 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 171.7 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | L206 S207 A208 L212 L213 I214 | L206-V210 HydrophobicContact CD1-CG2 4.49Å; L206-V210 HydrophobicContact CG-CG2 4.04Å; L206-V210 WeakPolarHBondContact O-CB 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 2.98Å; S207-V210 PolarHBondContact O-N 3.04Å; A208-V210 VanDerWaalsContact C-N 3.28Å; A208-V210 PolarHBondContact O-N 2.86Å; V210-L212 VanDerWaalsContact C-N 3.35Å; V210-L213 WeakPolarHBondContact O-CB 3.42Å; V210-L213 PolarHBondContact O-N 3.01Å; V210-I214 HydrophobicContact CG1-CD1 3.84Å; V210-I214 HydrophobicContact CG1-CG1 4.48Å; V210-I214 VanDerWaalsContact O-CG1 3.23Å; V210-I214 WeakPolarHBondContact O-CG1 3.37Å; V210-I214 PolarHBondContact O-N 3.43Å |
| 211 | I | 74.3 | Confident | 70.3 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.3 | -66.7 | 163.9 | 0 | 0 | 0 | 110.1 | S207 A208 L213 I214 I215 | S207-I211 VanDerWaalsContact O-CG1 3.3Å; S207-I211 WeakPolarHBondContact O-CG1 3.41Å; S207-I211 PolarHBondContact O-N 2.95Å; A208-I211 PolarHBondContact O-N 3.07Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.69Å; I211-I214 PolarHBondContact O-N 3.06Å; I211-I215 HydrophobicContact CG2-CD1 3.86Å; I211-I215 HydrophobicContact CG2-CG1 4.46Å; I211-I215 WeakPolarHBondContact O-CG1 3.48Å; I211-I215 PolarHBondContact O-N 3.42Å |
| 212 | L | 76.2 | Confident | 71.4 | Confident | 109 Ų | 109 | 85.1 Ų | 85.1 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61 | -42 | 175.5 | -175.5 | 66.4 | 0 | 0 | 0 | 111.5 | A208 V210 I214 I215 V216 | A208-L212 WeakPolarHBondContact O-CB 3.38Å; A208-L212 PolarHBondContact O-N 3.32Å; V210-L212 VanDerWaalsContact C-N 3.35Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 PolarHBondContact O-N 3.45Å; L212-I215 PolarHBondContact O-N 3.2Å; L212-V216 HydrophobicContact CD1-CG2 4.01Å; L212-V216 HydrophobicContact CG-CG2 4.16Å; L212-V216 VanDerWaalsContact O-CB 3.25Å; L212-V216 WeakPolarHBondContact O-CB 3.46Å; L212-V216 WeakPolarHBondContact O-CG2 3.31Å; L212-V216 PolarHBondContact O-N 3.25Å |
| 213 | L | 78 | Confident | 72.4 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 64% | 0.639 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 175.8 | -178.4 | 73.2 | 0 | 0 | 0 | 111.6 | P209 V210 I211 G217 | P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 PolarHBondContact O-N 2.84Å; V210-L213 WeakPolarHBondContact O-CB 3.42Å; V210-L213 PolarHBondContact O-N 3.01Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.69Å; L213-G217 WeakPolarHBondContact O-CA 3.34Å; L213-G217 PolarHBondContact O-N 2.86Å |
| 214 | I | 76.7 | Confident | 73.5 | Confident | 110 Ų | 110 | 72.9 Ų | 72.9 | 56% | 0.564 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.3 | -45.2 | 175.8 | -69.1 | 164.1 | 0 | 0 | 0 | 110.4 | V210 I211 L212 G217 Y218 | V210-I214 HydrophobicContact CG1-CD1 3.84Å; V210-I214 HydrophobicContact CG1-CG1 4.48Å; V210-I214 VanDerWaalsContact O-CG1 3.23Å; V210-I214 WeakPolarHBondContact O-CG1 3.37Å; V210-I214 PolarHBondContact O-N 3.43Å; I211-I214 PolarHBondContact O-N 3.06Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 PolarHBondContact O-N 3.45Å; I214-G217 PolarHBondContact O-N 3.16Å; I214-Y218 WeakPolarHBondContact O-CB 3.5Å; I214-Y218 PolarHBondContact O-N 2.86Å |
| 215 | I | 75.6 | Confident | 74.6 | Confident | 78 Ų | 78 | 72 Ų | 72 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 179.3 | -66.6 | 169.1 | 0 | 0 | 0 | 110.6 | I211 L212 G217 Y218 A219 F232 | I211-I215 HydrophobicContact CG2-CD1 3.86Å; I211-I215 HydrophobicContact CG2-CG1 4.46Å; I211-I215 WeakPolarHBondContact O-CG1 3.48Å; I211-I215 PolarHBondContact O-N 3.42Å; L212-I215 PolarHBondContact O-N 3.2Å; I215-G217 VanDerWaalsContact C-N 3.29Å; I215-G217 PolarHBondContact O-N 3.25Å; I215-Y218 PolarHBondContact O-N 2.85Å; I215-A219 WeakPolarHBondContact O-CB 3.29Å; I215-A219 PolarHBondContact O-N 3.29Å; I215-F232 HydrophobicContact CG2-CE1 4.22Å; I215-F232 HydrophobicContact CG2-CZ 4.02Å |
| 216 | V | 79.1 | Confident | 75.6 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | L212 A220 | L212-V216 HydrophobicContact CD1-CG2 4.01Å; L212-V216 HydrophobicContact CG-CG2 4.16Å; L212-V216 VanDerWaalsContact O-CB 3.25Å; L212-V216 WeakPolarHBondContact O-CB 3.46Å; L212-V216 WeakPolarHBondContact O-CG2 3.31Å; L212-V216 PolarHBondContact O-N 3.25Å; V216-A220 WeakPolarHBondContact O-CB 3.47Å; V216-A220 PolarHBondContact O-N 3.3Å |
| 217 | G | 77.9 | Confident | 76.3 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L213 I214 I215 L221 | L213-G217 WeakPolarHBondContact O-CA 3.34Å; L213-G217 PolarHBondContact O-N 2.86Å; I214-G217 PolarHBondContact O-N 3.16Å; I215-G217 VanDerWaalsContact C-N 3.29Å; I215-G217 PolarHBondContact O-N 3.25Å; G217-L221 WeakPolarHBondContact O-CB 3.42Å; G217-L221 PolarHBondContact O-N 3.32Å |
| 218 | Y | 76.2 | Confident | 76.7 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -49.9 | 174 | 168 | -93.3 | 0 | 0 | 0 | 111.1 | I214 I215 A220 L221 V222 F229 D231 F232 | I214-Y218 WeakPolarHBondContact O-CB 3.5Å; I214-Y218 PolarHBondContact O-N 2.86Å; I215-Y218 PolarHBondContact O-N 2.85Å; Y218-A220 VanDerWaalsContact C-N 3.31Å; Y218-A220 PolarHBondContact O-N 2.82Å; Y218-L221 PolarHBondContact O-N 3.11Å; Y218-V222 HydrophobicContact CD1-CG2 4.49Å; Y218-V222 HydrophobicContact CD2-CG2 4.06Å; Y218-V222 HydrophobicContact CE1-CG2 4.12Å; Y218-V222 HydrophobicContact CE2-CG2 3.67Å; Y218-V222 HydrophobicContact CG-CG2 4.46Å; Y218-V222 WeakPolarHBondContact O-CB 3.35Å; Y218-V222 WeakPolarHBondContact O-CG2 3.29Å; Y218-V222 PolarHBondContact O-N 2.93Å; Y218-F229 VanDerWaalsContact OH-CD2 3.25Å; Y218-F229 WeakPolarHBondContact OH-CD2 3.47Å; Y218-D231 WeakPolarHBondContact CE1-OD2 3.47Å; Y218-D231 PolarHBondContact OH-OD2 3.36Å; Y218-F232 HydrophobicContact CD1-CD2 4.23Å; Y218-F232 AromaticContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CE1-CD2 4.09Å; Y218-F232 AromaticContact CE1-CE2 3.84Å; Y218-F232 HydrophobicContact CE1-CE2 3.84Å |
| 219 | A | 73.6 | Confident | 77 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I215 L221 V222 S223 F232 | I215-A219 WeakPolarHBondContact O-CB 3.29Å; I215-A219 PolarHBondContact O-N 3.29Å; A219-L221 PolarHBondContact O-N 2.74Å; A219-V222 PolarHBondContact O-N 3.05Å; A219-S223 WeakPolarHBondContact O-CB 3.41Å; A219-S223 PolarHBondContact O-N 3.09Å; A219-S223 PolarHBondContact O-OG 2.92Å; A219-F232 HydrophobicContact CB-CB 4.05Å; A219-F232 HydrophobicContact CB-CD2 4.05Å; A219-F232 HydrophobicContact CB-CG 4.09Å |
| 220 | A | 77.3 | Confident | 77 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 12% | 0.116 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V216 Y218 V222 S223 I224 Y246 | V216-A220 WeakPolarHBondContact O-CB 3.47Å; V216-A220 PolarHBondContact O-N 3.3Å; Y218-A220 VanDerWaalsContact C-N 3.31Å; Y218-A220 PolarHBondContact O-N 2.82Å; A220-V222 PolarHBondContact O-N 3.45Å; A220-S223 PolarHBondContact O-N 2.89Å; A220-I224 HydrophobicContact CB-CD1 4.21Å; A220-I224 WeakPolarHBondContact O-CB 3.46Å; A220-I224 WeakPolarHBondContact O-CD1 3.29Å; A220-I224 WeakPolarHBondContact O-CG1 3.2Å; A220-I224 PolarHBondContact O-N 3.49Å; A220-Y246 HydrophobicContact CB-CE1 4.38Å; A220-Y246 WeakPolarHBondContact CB-OH 3.34Å |
| 221 | L | 78.6 | Confident | 76.9 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 52% | 0.518 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | -177.9 | -172.2 | 81.8 | 0 | 0 | 0 | 111.3 | G217 Y218 A219 S223 I224 L225 | G217-L221 WeakPolarHBondContact O-CB 3.42Å; G217-L221 PolarHBondContact O-N 3.32Å; Y218-L221 PolarHBondContact O-N 3.11Å; A219-L221 PolarHBondContact O-N 2.74Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.45Å; L221-I224 PolarHBondContact O-N 3.41Å; L221-L225 HydrophobicContact CD1-CD1 3.78Å; L221-L225 HydrophobicContact CD1-CG 4.11Å; L221-L225 HydrophobicContact CD2-CD1 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.63Å; L221-L225 HydrophobicContact CG-CG 4.14Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.47Å |
| 222 | V | 78.2 | Confident | 76.8 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 179.6 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | Y218 A219 A220 V227 G228 F229 | Y218-V222 HydrophobicContact CD1-CG2 4.49Å; Y218-V222 HydrophobicContact CD2-CG2 4.06Å; Y218-V222 HydrophobicContact CE1-CG2 4.12Å; Y218-V222 HydrophobicContact CE2-CG2 3.67Å; Y218-V222 HydrophobicContact CG-CG2 4.46Å; Y218-V222 WeakPolarHBondContact O-CB 3.35Å; Y218-V222 WeakPolarHBondContact O-CG2 3.29Å; Y218-V222 PolarHBondContact O-N 2.93Å; A219-V222 PolarHBondContact O-N 3.05Å; A220-V222 PolarHBondContact O-N 3.45Å; V222-V227 HydrophobicContact CG1-CB 4.17Å; V222-V227 HydrophobicContact CG1-CG1 4.43Å; V222-V227 PolarHBondContact O-N 3.2Å; V222-G228 PolarHBondContact O-N 3.45Å; V222-F229 HydrophobicContact CB-CD2 4.36Å; V222-F229 HydrophobicContact CG1-CB 4.14Å; V222-F229 HydrophobicContact CG1-CD2 3.63Å; V222-F229 HydrophobicContact CG1-CE2 4.45Å; V222-F229 HydrophobicContact CG1-CG 4.18Å; V222-F229 VanDerWaalsContact CG1-N 3.32Å; V222-F229 HydrophobicContact CG2-CD2 3.7Å; V222-F229 HydrophobicContact CG2-CE2 3.97Å |
| 223 | S | 76.4 | Confident | 76.7 | Confident | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | Y111 A219 A220 L221 T226 | Y111-S223 WeakPolarHBondContact OH-CB 3.09Å; Y111-S223 PolarHBondContact OH-OG 3.48Å; A219-S223 WeakPolarHBondContact O-CB 3.41Å; A219-S223 PolarHBondContact O-N 3.09Å; A219-S223 PolarHBondContact O-OG 2.92Å; A220-S223 PolarHBondContact O-N 2.89Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.45Å; S223-T226 PolarHBondContact O-N 2.98Å |
| 224 | I | 81.3 | Confident | 76.5 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.5 | -39.9 | -174.3 | -73.2 | 174.4 | 0 | 0 | 0 | 111.9 | A220 L221 T226 G250 A254 | A220-I224 HydrophobicContact CB-CD1 4.21Å; A220-I224 WeakPolarHBondContact O-CB 3.46Å; A220-I224 WeakPolarHBondContact O-CD1 3.29Å; A220-I224 WeakPolarHBondContact O-CG1 3.2Å; A220-I224 PolarHBondContact O-N 3.49Å; L221-I224 PolarHBondContact O-N 3.41Å; I224-T226 PolarHBondContact O-N 2.86Å; I224-G250 VanDerWaalsContact CG2-O 3.29Å; I224-G250 WeakPolarHBondContact CG2-O 3.27Å; I224-A254 HydrophobicContact CG2-CB 3.4Å |
| 225 | L | 80.2 | Confident | 76.1 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 6.1 | 173.6 | -67.9 | -178.9 | 0 | 0 | 0 | 112.7 | L221 V227 | L221-L225 HydrophobicContact CD1-CD1 3.78Å; L221-L225 HydrophobicContact CD1-CG 4.11Å; L221-L225 HydrophobicContact CD2-CD1 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.63Å; L221-L225 HydrophobicContact CG-CG 4.14Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.47Å; L225-V227 HydrophobicContact CB-CG2 3.81Å; L225-V227 PolarHBondContact O-N 3.26Å; L225-V227 VanDerWaalsContact O-N 3.12Å |
| 226 | T | 81.1 | Confident | 76.1 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.5 | -177 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | T107 I109 S223 I224 L251 | T107-T226 WeakPolarHBondContact O-CB 3.2Å; T107-T226 VanDerWaalsContact O-CG2 3.29Å; T107-T226 WeakPolarHBondContact O-CG2 3.37Å; I109-T226 HydrophobicContact CG1-CG2 3.98Å; S223-T226 PolarHBondContact O-N 2.98Å; I224-T226 PolarHBondContact O-N 2.86Å; T226-L251 HydrophobicContact CG2-CD1 3.44Å; T226-L251 VanDerWaalsContact CG2-CD1 3.44Å |
| 227 | V | 78 | Confident | 75.7 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | trans | -80.9 | -42.1 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | V222 L225 F229 | V222-V227 HydrophobicContact CG1-CB 4.17Å; V222-V227 HydrophobicContact CG1-CG1 4.43Å; V222-V227 PolarHBondContact O-N 3.2Å; L225-V227 HydrophobicContact CB-CG2 3.81Å; L225-V227 PolarHBondContact O-N 3.26Å; L225-V227 VanDerWaalsContact O-N 3.12Å; V227-F229 HydrophobicContact CG1-CD1 4.34Å; V227-F229 HydrophobicContact CG1-CD2 4.05Å; V227-F229 HydrophobicContact CG1-CE1 3.98Å; V227-F229 HydrophobicContact CG1-CE2 3.67Å; V227-F229 HydrophobicContact CG1-CG 4.37Å; V227-F229 HydrophobicContact CG1-CZ 3.63Å; V227-F229 PolarHBondContact O-N 2.91Å | ||
| 228 | G | 77.9 | Confident | 75.6 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | trans | 52.2 | 55.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116 | I109 V222 G230 | I109-G228 WeakPolarHBondContact O-CA 3.39Å; V222-G228 PolarHBondContact O-N 3.45Å; G228-G230 PolarHBondContact O-N 2.85Å | ||
| 229 | F | 73.2 | Confident | 75.8 | Confident | 137 Ų | 137 | 65.6 Ų | 65.6 | 60% | 0.601 | 34% | 0.34 | S | S | * | . | trans | -57.3 | -18.1 | 178.9 | -72.2 | -58.8 | 0 | 0 | 0 | 115.1 | Y218 V222 V227 D231 | Y218-F229 VanDerWaalsContact OH-CD2 3.25Å; Y218-F229 WeakPolarHBondContact OH-CD2 3.47Å; V222-F229 HydrophobicContact CB-CD2 4.36Å; V222-F229 HydrophobicContact CG1-CB 4.14Å; V222-F229 HydrophobicContact CG1-CD2 3.63Å; V222-F229 HydrophobicContact CG1-CE2 4.45Å; V222-F229 HydrophobicContact CG1-CG 4.18Å; V222-F229 VanDerWaalsContact CG1-N 3.32Å; V222-F229 HydrophobicContact CG2-CD2 3.7Å; V222-F229 HydrophobicContact CG2-CE2 3.97Å; V227-F229 HydrophobicContact CG1-CD1 4.34Å; V227-F229 HydrophobicContact CG1-CD2 4.05Å; V227-F229 HydrophobicContact CG1-CE1 3.98Å; V227-F229 HydrophobicContact CG1-CE2 3.67Å; V227-F229 HydrophobicContact CG1-CG 4.37Å; V227-F229 HydrophobicContact CG1-CZ 3.63Å; V227-F229 PolarHBondContact O-N 2.91Å; F229-D231 VanDerWaalsContact C-N 3.28Å; F229-D231 PolarHBondContact O-N 2.78Å | ||
| 230 | G | 73.1 | Confident | 76.1 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 26% | 0.258 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 79.4 | 7.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y111 G228 | Y111-G230 VanDerWaalsContact O-CA 3.27Å; Y111-G230 WeakPolarHBondContact O-CA 3.32Å; G228-G230 PolarHBondContact O-N 2.85Å |
| 231 | D | 73.1 | Confident | 76.4 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -78.9 | -30.2 | -178.7 | 52.9 | -2.3 | 0 | 0 | 0 | 113.9 | Y218 F229 | Y218-D231 WeakPolarHBondContact CE1-OD2 3.47Å; Y218-D231 PolarHBondContact OH-OD2 3.36Å; F229-D231 VanDerWaalsContact C-N 3.28Å; F229-D231 PolarHBondContact O-N 2.78Å |
| 232 | F | 72.1 | Confident | 76.7 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 40% | 0.395 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -122.4 | 94.9 | 174.4 | -64.9 | -77.7 | 0 | 0 | 0 | 110.5 | I215 Y218 A219 | I215-F232 HydrophobicContact CG2-CE1 4.22Å; I215-F232 HydrophobicContact CG2-CZ 4.02Å; Y218-F232 HydrophobicContact CD1-CD2 4.23Å; Y218-F232 AromaticContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CE1-CD2 4.09Å; Y218-F232 AromaticContact CE1-CE2 3.84Å; Y218-F232 HydrophobicContact CE1-CE2 3.84Å; A219-F232 HydrophobicContact CB-CB 4.05Å; A219-F232 HydrophobicContact CB-CD2 4.05Å; A219-F232 HydrophobicContact CB-CG 4.09Å |
| 233 | V | 73.4 | Confident | 76.7 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | trans | -111.4 | 137.6 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | F100 Y111 D113 S235 | F100-V233 HydrophobicContact CE1-CG1 4.38Å; Y111-V233 HydrophobicContact CD1-CG2 4.08Å; Y111-V233 HydrophobicContact CG-CG2 3.91Å; D113-V233 HydrophobicContact CB-CG1 3.93Å; V233-S235 PolarHBondContact O-N 2.98Å; V233-S235 PolarHBondContact O-OG 3.49Å | ||
| 234 | P | 73 | Confident | 77 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 20% | 0.195 | 37% | 0.366 | C | S | . | . | trans | -65.7 | 95 | 173.1 | 29 | -37.1 | 0 | 0 | 0 | 110.5 | F100 E236 S243 | F100-P234 HydrophobicContact CE2-CG 4.12Å; F100-P234 HydrophobicContact CZ-CG 3.84Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.43Å; P234-S243 WeakPolarHBondContact CG-OG 3.24Å | ||
| 235 | S | 68.9 | Low | 77.2 | Confident | 114 Ų | 114 | 74.7 Ų | 74.7 | 80% | 0.797 | 38% | 0.382 | S | S | * | . | trans | -70.9 | -26.7 | 179.8 | -47.4 | 0 | 0 | 0 | 0 | 113.1 | V233 | V233-S235 PolarHBondContact O-N 2.98Å; V233-S235 PolarHBondContact O-OG 3.49Å | ||
| 236 | E | 75.1 | Confident | 77.4 | Confident | 88 Ų | 88 | 76.2 Ų | 76.2 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -85.6 | 121.2 | -174.6 | -175.1 | 79.8 | -162.4 | 0 | 0 | 111.5 | P234 R238 F239 I240 | P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.43Å; E236-R238 HydrophobicContact CG-CB 4.36Å; E236-R238 PolarHBondContact O-N 3.28Å; E236-R238 IonicContact OE1-CZ 3.6Å; E236-R238 IonicContact OE1-NE 2.73Å; E236-R238 PolarHBondContact OE1-NE 3.42Å; E236-R238 IonicContact OE1-NH2 3.45Å; E236-R238 PolarHBondContact OE1-NH2 3.38Å; E236-F239 HydrophobicContact CB-CD2 3.73Å; E236-F239 HydrophobicContact CB-CE2 4.38Å; E236-F239 HydrophobicContact CG-CD2 3.73Å; E236-F239 HydrophobicContact CG-CE2 4Å; E236-F239 PolarHBondContact O-N 3.13Å; E236-I240 PolarHBondContact O-N 2.84Å |
| 237 | K | 71.4 | Confident | 77.5 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -48.7 | -36.3 | -178.1 | -68.3 | -178.5 | 176.1 | 180 | 0 | 114 | E91 F239 | E91-K237 PolarHBondContact O-NZ 2.96Å; K237-F239 VanDerWaalsContact C-N 3.34Å; K237-F239 PolarHBondContact O-N 3.47Å |
| 238 | R | 76.6 | Confident | 77.8 | Confident | 183 Ų | 183 | 74.9 Ų | 74.9 | 69% | 0.691 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.9 | -30.5 | -179.5 | -69 | 179.4 | -74.3 | 178.4 | -3.1 | 113.6 | E236 | E236-R238 HydrophobicContact CG-CB 4.36Å; E236-R238 PolarHBondContact O-N 3.28Å; E236-R238 IonicContact OE1-CZ 3.6Å; E236-R238 IonicContact OE1-NE 2.73Å; E236-R238 PolarHBondContact OE1-NE 3.42Å; E236-R238 IonicContact OE1-NH2 3.45Å; E236-R238 PolarHBondContact OE1-NH2 3.38Å |
| 239 | F | 78.8 | Confident | 78.1 | Confident | 119 Ų | 119 | 77.6 Ų | 77.6 | 52% | 0.522 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -94.3 | -10.1 | -177.2 | -60.9 | -57.6 | 0 | 0 | 0 | 113 | E236 K237 I241 I242 S243 | E236-F239 HydrophobicContact CB-CD2 3.73Å; E236-F239 HydrophobicContact CB-CE2 4.38Å; E236-F239 HydrophobicContact CG-CD2 3.73Å; E236-F239 HydrophobicContact CG-CE2 4Å; E236-F239 PolarHBondContact O-N 3.13Å; K237-F239 VanDerWaalsContact C-N 3.34Å; K237-F239 PolarHBondContact O-N 3.47Å; F239-I241 PolarHBondContact O-N 3.15Å; F239-I242 HydrophobicContact CD1-CD1 4.3Å; F239-I242 PolarHBondContact O-N 3.41Å; F239-S243 VanDerWaalsContact O-CB 3.29Å; F239-S243 WeakPolarHBondContact O-CB 3.47Å; F239-S243 PolarHBondContact O-N 3.39Å; F239-S243 PolarHBondContact O-OG 2.91Å |
| 240 | I | 80.1 | Confident | 78.6 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.9 | -50.9 | 179.4 | -64.8 | 179.1 | 0 | 0 | 0 | 111.1 | F100 E236 I242 S243 M244 | F100-I240 HydrophobicContact CB-CG2 3.74Å; F100-I240 HydrophobicContact CD2-CG2 3.89Å; F100-I240 HydrophobicContact CG-CG2 3.86Å; E236-I240 PolarHBondContact O-N 2.84Å; I240-I242 PolarHBondContact O-N 3.31Å; I240-S243 PolarHBondContact O-N 2.96Å; I240-S243 PolarHBondContact O-OG 3.04Å; I240-M244 WeakPolarHBondContact O-CB 3.28Å; I240-M244 PolarHBondContact O-N 2.96Å |
| 241 | I | 83.6 | Confident | 79.2 | Confident | 95 Ų | 95 | 70.9 Ų | 70.9 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | -178.1 | -60.1 | 175.6 | 0 | 0 | 0 | 111.3 | A96 F239 S243 M244 I245 | A96-I241 HydrophobicContact CB-CG1 4.41Å; F239-I241 PolarHBondContact O-N 3.15Å; I241-S243 VanDerWaalsContact C-N 3.32Å; I241-S243 PolarHBondContact O-N 2.82Å; I241-M244 WeakPolarHBondContact O-CB 3.35Å; I241-M244 PolarHBondContact O-N 2.86Å; I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 WeakPolarHBondContact O-CG1 3.39Å; I241-I245 PolarHBondContact O-N 3.1Å; I241-I245 VanDerWaalsContact O-N 3.08Å |
| 242 | I | 84.3 | Confident | 79.8 | Confident | 108 Ų | 108 | 68.5 Ų | 68.5 | 55% | 0.554 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 178.2 | -64.6 | 172 | 0 | 0 | 0 | 110 | F239 I240 M244 I245 Y246 | F239-I242 HydrophobicContact CD1-CD1 4.3Å; F239-I242 PolarHBondContact O-N 3.41Å; I240-I242 PolarHBondContact O-N 3.31Å; I242-M244 VanDerWaalsContact C-N 3.28Å; I242-M244 PolarHBondContact O-N 2.94Å; I242-I245 PolarHBondContact O-N 2.68Å; I242-Y246 WeakPolarHBondContact O-CB 3.33Å; I242-Y246 PolarHBondContact O-N 3.09Å |
| 243 | S | 79.1 | Confident | 80.4 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.8 | -36 | 176.7 | 79.3 | 0 | 0 | 0 | 0 | 111.7 | P234 F239 I240 I241 Y246 V247 | P234-S243 WeakPolarHBondContact CG-OG 3.24Å; F239-S243 VanDerWaalsContact O-CB 3.29Å; F239-S243 WeakPolarHBondContact O-CB 3.47Å; F239-S243 PolarHBondContact O-N 3.39Å; F239-S243 PolarHBondContact O-OG 2.91Å; I240-S243 PolarHBondContact O-N 2.96Å; I240-S243 PolarHBondContact O-OG 3.04Å; I241-S243 VanDerWaalsContact C-N 3.32Å; I241-S243 PolarHBondContact O-N 2.82Å; S243-Y246 WeakPolarHBondContact O-CB 3.38Å; S243-Y246 PolarHBondContact O-N 2.86Å; S243-V247 VanDerWaalsContact O-CB 3.31Å; S243-V247 WeakPolarHBondContact O-CB 3.35Å; S243-V247 WeakPolarHBondContact O-CG2 3.29Å; S243-V247 PolarHBondContact O-N 2.98Å |
| 244 | M | 83.1 | Confident | 80.8 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 177.7 | -165.5 | -177.4 | 72.9 | 0 | 0 | 111.2 | L99 L103 I240 I241 I242 Y246 F248 | L99-M244 HydrophobicContact CD2-CE 3.8Å; L99-M244 HydrophobicContact CD2-SD 3.89Å; L99-M244 HydrophobicContact CG-CE 4.43Å; L99-M244 HydrophobicContact CG-SD 3.9Å; L103-M244 HydrophobicContact CD2-CG 3.19Å; L103-M244 HydrophobicContact CD2-SD 3.88Å; L103-M244 HydrophobicContact CG-CG 4.48Å; I240-M244 WeakPolarHBondContact O-CB 3.28Å; I240-M244 PolarHBondContact O-N 2.96Å; I241-M244 WeakPolarHBondContact O-CB 3.35Å; I241-M244 PolarHBondContact O-N 2.86Å; I242-M244 VanDerWaalsContact C-N 3.28Å; I242-M244 PolarHBondContact O-N 2.94Å; M244-Y246 VanDerWaalsContact C-N 3.35Å; M244-F248 WeakPolarHBondContact O-CB 3.26Å; M244-F248 PolarHBondContact O-N 2.99Å |
| 245 | I | 85.5 | Confident | 81.4 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 175.3 | -64.7 | 169.2 | 0 | 0 | 0 | 110 | I241 I242 F248 V249 | I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 WeakPolarHBondContact O-CG1 3.39Å; I241-I245 PolarHBondContact O-N 3.1Å; I241-I245 VanDerWaalsContact O-N 3.08Å; I242-I245 PolarHBondContact O-N 2.68Å; I245-F248 PolarHBondContact O-N 3.1Å; I245-V249 HydrophobicContact CG2-CG2 4.25Å; I245-V249 WeakPolarHBondContact O-CB 3.25Å; I245-V249 WeakPolarHBondContact O-CG2 3.14Å; I245-V249 PolarHBondContact O-N 3.14Å |
| 246 | Y | 83.8 | Confident | 82.2 | Confident | 115 Ų | 115 | 63.2 Ų | 63.2 | 45% | 0.451 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 178.8 | 174.5 | -98.4 | 0 | 0 | 0 | 112.1 | A220 I242 S243 M244 F248 V249 G250 | A220-Y246 HydrophobicContact CB-CE1 4.38Å; A220-Y246 WeakPolarHBondContact CB-OH 3.34Å; I242-Y246 WeakPolarHBondContact O-CB 3.33Å; I242-Y246 PolarHBondContact O-N 3.09Å; S243-Y246 WeakPolarHBondContact O-CB 3.38Å; S243-Y246 PolarHBondContact O-N 2.86Å; M244-Y246 VanDerWaalsContact C-N 3.35Å; Y246-F248 VanDerWaalsContact C-N 3.34Å; Y246-F248 PolarHBondContact O-N 3.39Å; Y246-V249 PolarHBondContact O-N 3.15Å; Y246-G250 PolarHBondContact O-N 3.07Å |
| 247 | V | 83 | Confident | 82.4 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 177.3 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | I109 S243 G250 L251 | I109-V247 HydrophobicContact CD1-CG1 3.09Å; S243-V247 VanDerWaalsContact O-CB 3.31Å; S243-V247 WeakPolarHBondContact O-CB 3.35Å; S243-V247 WeakPolarHBondContact O-CG2 3.29Å; S243-V247 PolarHBondContact O-N 2.98Å; V247-G250 PolarHBondContact O-N 3.27Å; V247-L251 VanDerWaalsContact O-CB 3.29Å; V247-L251 WeakPolarHBondContact O-CB 3.46Å; V247-L251 PolarHBondContact O-N 3.44Å |
| 248 | F | 84.3 | Confident | 82.9 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 179.4 | -171 | -106.5 | 0 | 0 | 0 | 112.3 | T140 M244 I245 Y246 G250 L251 L252 | T140-F248 HydrophobicContact CG2-CE2 4.5Å; M244-F248 WeakPolarHBondContact O-CB 3.26Å; M244-F248 PolarHBondContact O-N 2.99Å; I245-F248 PolarHBondContact O-N 3.1Å; Y246-F248 VanDerWaalsContact C-N 3.34Å; Y246-F248 PolarHBondContact O-N 3.39Å; F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 2.89Å; F248-L251 PolarHBondContact O-N 2.93Å; F248-L252 HydrophobicContact CD1-CD1 3.88Å; F248-L252 HydrophobicContact CE1-CD1 3.62Å; F248-L252 HydrophobicContact CE1-CG 4.47Å; F248-L252 HydrophobicContact CZ-CD1 4.2Å; F248-L252 VanDerWaalsContact O-CG 3.29Å; F248-L252 WeakPolarHBondContact O-CG 3.44Å; F248-L252 PolarHBondContact O-N 3.25Å |
| 249 | V | 84.5 | Confident | 83.2 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | I245 Y246 L252 I253 | I245-V249 HydrophobicContact CG2-CG2 4.25Å; I245-V249 WeakPolarHBondContact O-CB 3.25Å; I245-V249 WeakPolarHBondContact O-CG2 3.14Å; I245-V249 PolarHBondContact O-N 3.14Å; Y246-V249 PolarHBondContact O-N 3.15Å; V249-L252 WeakPolarHBondContact O-CB 3.39Å; V249-L252 PolarHBondContact O-N 3.43Å; V249-I253 HydrophobicContact CG1-CD1 3.99Å; V249-I253 WeakPolarHBondContact O-CG1 3.31Å; V249-I253 PolarHBondContact O-N 3.11Å |
| 250 | G | 83.7 | Confident | 83.2 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I224 Y246 V247 F248 L252 I253 A254 | I224-G250 VanDerWaalsContact CG2-O 3.29Å; I224-G250 WeakPolarHBondContact CG2-O 3.27Å; Y246-G250 PolarHBondContact O-N 3.07Å; V247-G250 PolarHBondContact O-N 3.27Å; F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 2.89Å; G250-L252 VanDerWaalsContact C-N 3.3Å; G250-L252 PolarHBondContact O-N 3.37Å; G250-I253 PolarHBondContact O-N 3.37Å; G250-I253 VanDerWaalsContact O-N 3.13Å; G250-A254 PolarHBondContact O-N 2.93Å |
| 251 | L | 85.8 | Confident | 83.2 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 172.5 | 177.9 | 61.2 | 0 | 0 | 0 | 111.8 | T107 T140 T226 V247 F248 I253 A254 T255 | T107-L251 HydrophobicContact CG2-CD2 3.76Å; T140-L251 HydrophobicContact CG2-CD2 4.03Å; T226-L251 HydrophobicContact CG2-CD1 3.44Å; T226-L251 VanDerWaalsContact CG2-CD1 3.44Å; V247-L251 VanDerWaalsContact O-CB 3.29Å; V247-L251 WeakPolarHBondContact O-CB 3.46Å; V247-L251 PolarHBondContact O-N 3.44Å; F248-L251 PolarHBondContact O-N 2.93Å; L251-I253 VanDerWaalsContact C-N 3.34Å; L251-I253 PolarHBondContact O-N 3.08Å; L251-A254 PolarHBondContact O-N 3.37Å; L251-T255 HydrophobicContact CD1-CG2 4.27Å; L251-T255 WeakPolarHBondContact O-CB 3.46Å; L251-T255 WeakPolarHBondContact O-CG2 3.27Å; L251-T255 PolarHBondContact O-N 3.02Å; L251-T255 PolarHBondContact O-OG1 2.81Å |
| 252 | L | 85.6 | Confident | 82.9 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.5 | -67.6 | 170.8 | 0 | 0 | 0 | 111.8 | V143 M147 F248 V249 G250 T255 M256 | V143-L252 HydrophobicContact CB-CD2 3.75Å; V143-L252 HydrophobicContact CG1-CD1 3.66Å; V143-L252 HydrophobicContact CG1-CD2 3.56Å; V143-L252 HydrophobicContact CG1-CG 4.26Å; M147-L252 HydrophobicContact CE-CB 4.32Å; M147-L252 HydrophobicContact SD-CB 3.64Å; M147-L252 HydrophobicContact SD-CD1 3.53Å; M147-L252 VanDerWaalsContact SD-CD1 3.53Å; M147-L252 HydrophobicContact SD-CG 4.11Å; F248-L252 HydrophobicContact CD1-CD1 3.88Å; F248-L252 HydrophobicContact CE1-CD1 3.62Å; F248-L252 HydrophobicContact CE1-CG 4.47Å; F248-L252 HydrophobicContact CZ-CD1 4.2Å; F248-L252 VanDerWaalsContact O-CG 3.29Å; F248-L252 WeakPolarHBondContact O-CG 3.44Å; F248-L252 PolarHBondContact O-N 3.25Å; V249-L252 WeakPolarHBondContact O-CB 3.39Å; V249-L252 PolarHBondContact O-N 3.43Å; G250-L252 VanDerWaalsContact C-N 3.3Å; G250-L252 PolarHBondContact O-N 3.37Å; L252-T255 WeakPolarHBondContact CA-OG1 3.37Å; L252-T255 PolarHBondContact O-OG1 3.12Å; L252-M256 WeakPolarHBondContact O-CB 3.37Å; L252-M256 WeakPolarHBondContact O-CG 3.33Å; L252-M256 PolarHBondContact O-N 3.47Å |
| 253 | I | 84 | Confident | 82.4 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 45% | 0.446 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 175.9 | -67 | 166.9 | 0 | 0 | 0 | 110.9 | V249 G250 L251 T255 M256 C257 | V249-I253 HydrophobicContact CG1-CD1 3.99Å; V249-I253 WeakPolarHBondContact O-CG1 3.31Å; V249-I253 PolarHBondContact O-N 3.11Å; G250-I253 PolarHBondContact O-N 3.37Å; G250-I253 VanDerWaalsContact O-N 3.13Å; L251-I253 VanDerWaalsContact C-N 3.34Å; L251-I253 PolarHBondContact O-N 3.08Å; I253-T255 PolarHBondContact O-N 3.48Å; I253-M256 WeakPolarHBondContact O-CB 3.3Å; I253-M256 PolarHBondContact O-N 2.79Å; I253-C257 PolarHBondContact O-N 2.95Å; I253-C257 PolarHBondContact O-SG 2.88Å; I253-C257 VanDerWaalsContact O-SG 3.34Å |
| 254 | A | 83.5 | Confident | 82.3 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I224 G250 L251 M256 C257 I258 | I224-A254 HydrophobicContact CG2-CB 3.4Å; G250-A254 PolarHBondContact O-N 2.93Å; L251-A254 PolarHBondContact O-N 3.37Å; A254-M256 VanDerWaalsContact C-N 3.35Å; A254-M256 PolarHBondContact O-N 2.99Å; A254-C257 WeakPolarHBondContact O-CB 3.34Å; A254-C257 PolarHBondContact O-N 2.9Å; A254-C257 VanDerWaalsContact O-N 3.15Å; A254-I258 VanDerWaalsContact O-CG1 3.31Å; A254-I258 WeakPolarHBondContact O-CG1 3.5Å; A254-I258 PolarHBondContact O-N 2.93Å |
| 255 | T | 85.3 | Confident | 81.8 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.1 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | A144 L251 L252 I253 C257 I258 D259 | A144-T255 WeakPolarHBondContact CB-OG1 3.38Å; L251-T255 HydrophobicContact CD1-CG2 4.27Å; L251-T255 WeakPolarHBondContact O-CB 3.46Å; L251-T255 WeakPolarHBondContact O-CG2 3.27Å; L251-T255 PolarHBondContact O-N 3.02Å; L251-T255 PolarHBondContact O-OG1 2.81Å; L252-T255 WeakPolarHBondContact CA-OG1 3.37Å; L252-T255 PolarHBondContact O-OG1 3.12Å; I253-T255 PolarHBondContact O-N 3.48Å; T255-C257 VanDerWaalsContact C-N 3.35Å; T255-C257 PolarHBondContact O-N 3.27Å; T255-I258 PolarHBondContact O-N 2.77Å; T255-D259 PolarHBondContact O-N 3.45Å |
| 256 | M | 84.1 | Confident | 80.9 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 171.1 | -71.1 | 171.2 | 58.9 | 0 | 0 | 112.8 | A144 M147 V151 L252 I253 A254 D259 T260 | A144-M256 HydrophobicContact CB-CG 3.73Å; A144-M256 VanDerWaalsContact O-CG 3.26Å; A144-M256 WeakPolarHBondContact O-CG 3.25Å; M147-M256 HydrophobicContact CB-CE 4.17Å; M147-M256 HydrophobicContact CB-SD 3.39Å; M147-M256 WeakPolarHBondContact CB-SD 3.28Å; M147-M256 HydrophobicContact CE-SD 4.3Å; V151-M256 HydrophobicContact CB-CE 4.34Å; V151-M256 HydrophobicContact CG2-CE 3.96Å; L252-M256 WeakPolarHBondContact O-CB 3.37Å; L252-M256 WeakPolarHBondContact O-CG 3.33Å; L252-M256 PolarHBondContact O-N 3.47Å; I253-M256 WeakPolarHBondContact O-CB 3.3Å; I253-M256 PolarHBondContact O-N 2.79Å; A254-M256 VanDerWaalsContact C-N 3.35Å; A254-M256 PolarHBondContact O-N 2.99Å; M256-D259 PolarHBondContact O-N 3.27Å; M256-T260 WeakPolarHBondContact O-CB 3.33Å; M256-T260 VanDerWaalsContact O-CG2 3.29Å; M256-T260 WeakPolarHBondContact O-CG2 3.39Å; M256-T260 PolarHBondContact O-N 3.04Å; M256-T260 PolarHBondContact O-OG1 3.34Å |
| 257 | C | 80.4 | Confident | 79.8 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.2 | -72.8 | 0 | 0 | 0 | 0 | 111.7 | I253 A254 T255 D259 T260 V261 | I253-C257 PolarHBondContact O-N 2.95Å; I253-C257 PolarHBondContact O-SG 2.88Å; I253-C257 VanDerWaalsContact O-SG 3.34Å; A254-C257 WeakPolarHBondContact O-CB 3.34Å; A254-C257 PolarHBondContact O-N 2.9Å; A254-C257 VanDerWaalsContact O-N 3.15Å; T255-C257 VanDerWaalsContact C-N 3.35Å; T255-C257 PolarHBondContact O-N 3.27Å; C257-D259 VanDerWaalsContact C-N 3.34Å; C257-D259 PolarHBondContact O-N 2.92Å; C257-T260 WeakPolarHBondContact CA-OG1 3.41Å; C257-T260 PolarHBondContact O-N 3.35Å; C257-T260 PolarHBondContact O-OG1 2.8Å; C257-V261 WeakPolarHBondContact O-CB 3.33Å; C257-V261 VanDerWaalsContact O-CG2 3.26Å; C257-V261 WeakPolarHBondContact O-CG2 3.45Å; C257-V261 PolarHBondContact O-N 2.91Å |
| 258 | I | 82.7 | Confident | 79 | Confident | 109 Ų | 109 | 59.3 Ų | 59.3 | 56% | 0.559 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.7 | -45.6 | 177.2 | -68.5 | 166 | 0 | 0 | 0 | 110.2 | A254 T255 G262 | A254-I258 VanDerWaalsContact O-CG1 3.31Å; A254-I258 WeakPolarHBondContact O-CG1 3.5Å; A254-I258 PolarHBondContact O-N 2.93Å; T255-I258 PolarHBondContact O-N 2.77Å; I258-G262 PolarHBondContact O-N 3.2Å |
| 259 | D | 81.3 | Confident | 77.8 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 178.5 | -78.3 | -9.5 | 0 | 0 | 0 | 112 | T255 M256 C257 G262 V263 | T255-D259 PolarHBondContact O-N 3.45Å; M256-D259 PolarHBondContact O-N 3.27Å; C257-D259 VanDerWaalsContact C-N 3.34Å; C257-D259 PolarHBondContact O-N 2.92Å; D259-G262 PolarHBondContact O-N 3.49Å; D259-V263 WeakPolarHBondContact O-CG2 3.36Å; D259-V263 PolarHBondContact O-N 3.39Å |
| 260 | T | 79 | Confident | 76.4 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | -179.5 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | M256 C257 G262 V263 H264 | M256-T260 WeakPolarHBondContact O-CB 3.33Å; M256-T260 VanDerWaalsContact O-CG2 3.29Å; M256-T260 WeakPolarHBondContact O-CG2 3.39Å; M256-T260 PolarHBondContact O-N 3.04Å; M256-T260 PolarHBondContact O-OG1 3.34Å; C257-T260 WeakPolarHBondContact CA-OG1 3.41Å; C257-T260 PolarHBondContact O-N 3.35Å; C257-T260 PolarHBondContact O-OG1 2.8Å; T260-G262 VanDerWaalsContact C-N 3.33Å; T260-V263 PolarHBondContact O-N 2.93Å; T260-H264 PolarHBondContact O-N 2.96Å |
| 261 | V | 79.7 | Confident | 75 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | C257 V263 H264 L265 | C257-V261 WeakPolarHBondContact O-CB 3.33Å; C257-V261 VanDerWaalsContact O-CG2 3.26Å; C257-V261 WeakPolarHBondContact O-CG2 3.45Å; C257-V261 PolarHBondContact O-N 2.91Å; V261-V263 PolarHBondContact O-N 3.39Å; V261-H264 PolarHBondContact O-N 3.5Å; V261-L265 HydrophobicContact CG1-CD1 3.8Å; V261-L265 HydrophobicContact CG1-CG 4.13Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.22Å |
| 262 | G | 77.1 | Confident | 73.5 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.9 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I258 D259 T260 H264 L265 A266 | I258-G262 PolarHBondContact O-N 3.2Å; D259-G262 PolarHBondContact O-N 3.49Å; T260-G262 VanDerWaalsContact C-N 3.33Å; G262-H264 PolarHBondContact O-N 3.47Å; G262-L265 PolarHBondContact O-N 3.45Å; G262-A266 WeakPolarHBondContact O-CB 3.22Å; G262-A266 PolarHBondContact O-N 3.23Å |
| 263 | V | 75.6 | Confident | 72.2 | Confident | 109 Ų | 109 | 77.8 Ų | 77.8 | 66% | 0.661 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 176 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | D259 T260 V261 A266 G267 | D259-V263 WeakPolarHBondContact O-CG2 3.36Å; D259-V263 PolarHBondContact O-N 3.39Å; T260-V263 PolarHBondContact O-N 2.93Å; V261-V263 PolarHBondContact O-N 3.39Å; V263-A266 PolarHBondContact O-N 2.92Å; V263-G267 PolarHBondContact O-N 3.46Å |
| 264 | H | 75.5 | Confident | 71.1 | Confident | 141 Ų | 141 | 79.9 Ų | 79.9 | 65% | 0.653 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 178.6 | -169 | 77.1 | 0 | 0 | 0 | 112.3 | T260 V261 G262 G267 A268 | T260-H264 PolarHBondContact O-N 2.96Å; V261-H264 PolarHBondContact O-N 3.5Å; G262-H264 PolarHBondContact O-N 3.47Å; H264-G267 PolarHBondContact O-N 2.82Å; H264-A268 VanDerWaalsContact O-CB 3.25Å; H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.3Å |
| 265 | L | 73.3 | Confident | 70.1 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 176.7 | -72.7 | 175.1 | 0 | 0 | 0 | 111.7 | V261 G262 A268 R269 | V261-L265 HydrophobicContact CG1-CD1 3.8Å; V261-L265 HydrophobicContact CG1-CG 4.13Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.22Å; G262-L265 PolarHBondContact O-N 3.45Å; L265-A268 PolarHBondContact O-N 3.36Å; L265-R269 WeakPolarHBondContact O-CB 3.03Å; L265-R269 WeakPolarHBondContact O-CG 3.48Å; L265-R269 PolarHBondContact O-N 3.32Å |
| 266 | A | 66.3 | Low | 69.3 | Low | 51 Ų | 51 | 85.2 Ų | 85.2 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | G262 V263 A268 R269 D270 | G262-A266 WeakPolarHBondContact O-CB 3.22Å; G262-A266 PolarHBondContact O-N 3.23Å; V263-A266 PolarHBondContact O-N 2.92Å; A266-A268 VanDerWaalsContact C-N 3.31Å; A266-A268 PolarHBondContact O-N 3.01Å; A266-R269 WeakPolarHBondContact O-CB 3.31Å; A266-R269 PolarHBondContact O-N 2.9Å; A266-D270 PolarHBondContact O-N 3.46Å |
| 267 | G | 61.5 | Low | 68.6 | Low | 25 Ų | 25 | 88.4 Ų | 88.4 | 26% | 0.258 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -31 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V263 H264 K271 | V263-G267 PolarHBondContact O-N 3.46Å; H264-G267 PolarHBondContact O-N 2.82Å; G267-K271 WeakPolarHBondContact O-CG 3.26Å; G267-K271 PolarHBondContact O-N 2.85Å; G267-K271 VanDerWaalsContact O-N 3.15Å |
| 268 | A | 65.1 | Low | 68.3 | Low | 42 Ų | 42 | 86.2 Ų | 86.2 | 35% | 0.347 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | H264 L265 A266 D270 K271 V272 | H264-A268 VanDerWaalsContact O-CB 3.25Å; H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.3Å; L265-A268 PolarHBondContact O-N 3.36Å; A266-A268 VanDerWaalsContact C-N 3.31Å; A266-A268 PolarHBondContact O-N 3.01Å; A268-D270 VanDerWaalsContact C-N 3.3Å; A268-D270 PolarHBondContact O-N 3.22Å; A268-K271 CarbonylContact O-C 3.57Å; A268-K271 PolarHBondContact O-N 3.46Å; A268-K271 VanDerWaalsContact O-N 3.14Å; A268-V272 WeakPolarHBondContact O-CG2 3.39Å; A268-V272 PolarHBondContact O-N 3.06Å; A268-V272 VanDerWaalsContact O-N 3.1Å |
| 269 | R | 60.1 | Low | 67.7 | Low | 202 Ų | 202 | 88.3 Ų | 88.3 | 76% | 0.762 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.5 | -43.3 | 172.8 | -79.1 | -179.6 | 175.8 | 175.7 | 0 | 111.5 | L265 A266 K271 V272 | L265-R269 WeakPolarHBondContact O-CB 3.03Å; L265-R269 WeakPolarHBondContact O-CG 3.48Å; L265-R269 PolarHBondContact O-N 3.32Å; A266-R269 WeakPolarHBondContact O-CB 3.31Å; A266-R269 PolarHBondContact O-N 2.9Å; R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 3.38Å; R269-V272 VanDerWaalsContact O-CB 3.31Å; R269-V272 WeakPolarHBondContact O-CB 3.44Å; R269-V272 WeakPolarHBondContact O-CG2 3.4Å; R269-V272 PolarHBondContact O-N 2.93Å; R269-V272 VanDerWaalsContact O-N 3.1Å |
| 270 | D | 54.5 | Low | 67 | Low | 44 Ų | 44 | 91.3 Ų | 91.3 | 24% | 0.235 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.6 | -27.1 | 178.1 | -74.7 | -27.3 | 0 | 0 | 0 | 113.7 | A266 A268 R457 | A266-D270 PolarHBondContact O-N 3.46Å; A268-D270 VanDerWaalsContact C-N 3.3Å; A268-D270 PolarHBondContact O-N 3.22Å; D270-R457 HydrophobicContact CB-CB 4.25Å; D270-R457 PolarHBondContact O-N 3.2Å |
| 271 | K | 53.9 | Low | 66.2 | Low | 158 Ų | 158 | 91.6 Ų | 91.6 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.4 | 172.4 | -75.3 | -179.8 | -174.7 | 176.2 | 0 | 113.8 | G267 A268 R269 M273 | G267-K271 WeakPolarHBondContact O-CG 3.26Å; G267-K271 PolarHBondContact O-N 2.85Å; G267-K271 VanDerWaalsContact O-N 3.15Å; A268-K271 CarbonylContact O-C 3.57Å; A268-K271 PolarHBondContact O-N 3.46Å; A268-K271 VanDerWaalsContact O-N 3.14Å; R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 3.38Å; K271-M273 PolarHBondContact O-N 2.81Å |
| 272 | V | 55.2 | Low | 65.1 | Low | 83 Ų | 83 | 95 Ų | 95 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | trans | -60.5 | 106.3 | 177.8 | 175.6 | 0 | 0 | 0 | 0 | 107.8 | A268 R269 H274 | A268-V272 WeakPolarHBondContact O-CG2 3.39Å; A268-V272 PolarHBondContact O-N 3.06Å; A268-V272 VanDerWaalsContact O-N 3.1Å; R269-V272 VanDerWaalsContact O-CB 3.31Å; R269-V272 WeakPolarHBondContact O-CB 3.44Å; R269-V272 WeakPolarHBondContact O-CG2 3.4Å; R269-V272 PolarHBondContact O-N 2.93Å; R269-V272 VanDerWaalsContact O-N 3.1Å; V272-H274 PolarHBondContact O-N 3.5Å | ||
| 273 | M | 57.7 | Low | 64.3 | Low | 70 Ų | 70 | 95.6 Ų | 95.6 | 35% | 0.345 | 50% | 0.496 | S | S | . | . | trans | -70.9 | 97.7 | 177.7 | -66.3 | -67.1 | -82.4 | 0 | 0 | 108.1 | K271 T275 K297 G454 L455 S456 | K271-M273 PolarHBondContact O-N 2.81Å; M273-T275 PolarHBondContact O-N 3.28Å; M273-T275 PolarHBondContact O-OG1 3.29Å; M273-T275 VanDerWaalsContact O-OG1 3.04Å; M273-K297 HydrophobicContact CE-CB 3.62Å; M273-G454 VanDerWaalsContact CE-C 3.42Å; M273-G454 VanDerWaalsContact CE-O 3.28Å; M273-G454 WeakPolarHBondContact CE-O 3.39Å; M273-L455 VanDerWaalsContact CA-O 3.3Å; M273-L455 WeakPolarHBondContact CA-O 3.38Å; M273-S456 WeakPolarHBondContact SD-CB 3.22Å | ||
| 274 | H | 60.4 | Low | 63.6 | Low | 130 Ų | 130 | 97.1 Ų | 97.1 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 112.5 | 167 | -78.2 | -81.3 | 0 | 0 | 0 | 107.4 | V272 G454 L455 | V272-H274 PolarHBondContact O-N 3.5Å; H274-G454 WeakPolarHBondContact O-CA 3.17Å; H274-L455 HydrophobicContact CB-CB 4.45Å; H274-L455 PolarHBondContact N-O 3Å; H274-L455 VanDerWaalsContact N-O 3.12Å; H274-L455 PolarHBondContact O-N 2.77Å |
| 275 | T | 64.4 | Low | 63.1 | Low | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 108.7 | -172.9 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | M273 R452 L453 | M273-T275 PolarHBondContact O-N 3.28Å; M273-T275 PolarHBondContact O-OG1 3.29Å; M273-T275 VanDerWaalsContact O-OG1 3.04Å; T275-R452 HydrophobicContact CG2-CG 3.42Å; T275-R452 VanDerWaalsContact CG2-CG 3.42Å; T275-L453 CarbonylContact C-O 3.46Å; T275-L453 VanDerWaalsContact CA-O 3.28Å; T275-L453 WeakPolarHBondContact CA-O 3.14Å |
| 276 | L | 66.6 | Low | 62.3 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 40% | 0.403 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.1 | 172.7 | -63.5 | 169.5 | 0 | 0 | 0 | 109 | L285 R452 L453 | L276-L285 HydrophobicContact CD1-CD2 3.57Å; L276-R452 CarbonylContact O-C 3.49Å; L276-R452 WeakPolarHBondContact O-CA 3.49Å; L276-L453 HydrophobicContact CB-CB 4.34Å; L276-L453 PolarHBondContact N-O 3.14Å; L276-L453 PolarHBondContact O-N 3.42Å |
| 277 | V | 71.2 | Confident | 61.7 | Low | 92 Ų | 92 | 98.3 Ų | 98.3 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 111.6 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | K450 T451 R452 | V277-K450 HydrophobicContact CG1-CB 4.49Å; V277-T451 WeakPolarHBondContact CA-O 3.49Å; V277-R452 HydrophobicContact CG2-CG 4.33Å |
| 278 | T | 72.9 | Confident | 61.5 | Low | 21 Ų | 21 | 98.9 Ų | 98.9 | 13% | 0.129 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 153.3 | 177.7 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | Q280 C283 T451 | T278-Q280 PolarHBondContact OG1-N 3.32Å; T278-C283 HydrophobicContact CG2-CB 4.23Å; T278-T451 PolarHBondContact N-O 3.15Å; T278-T451 PolarHBondContact O-N 3.49Å |
| 279 | K | 71.4 | Confident | 60.8 | Low | 152 Ų | 152 | 99.4 Ų | 99.4 | 66% | 0.661 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -97.3 | -10.3 | 168 | -63.8 | -178.6 | -178.3 | 177.1 | 0 | 111.9 | ||
| 280 | Q | 66.5 | Low | 60.5 | Low | 135 Ų | 135 | 90.3 Ų | 90.3 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -81 | 151.2 | -177.7 | -66.2 | 173.4 | -29.6 | 0 | 0 | 110.8 | T278 E282 Y435 | T278-Q280 PolarHBondContact OG1-N 3.32Å; Q280-E282 WeakPolarHBondContact CB-O 3.31Å; Q280-E282 PolarHBondContact O-N 3.01Å; Q280-Y435 PolarHBondContact O-OH 3.4Å |
| 281 | N | 62.1 | Low | 60.5 | Low | 91 Ų | 91 | 94.9 Ų | 94.9 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -72.6 | -14.7 | 175.5 | -70.1 | 2.6 | 0 | 0 | 0 | 112.3 | Y435 | N281-Y435 VanDerWaalsContact CA-OH 3.31Å; N281-Y435 WeakPolarHBondContact CA-OH 3.43Å; N281-Y435 WeakPolarHBondContact O-CE1 3.43Å; N281-Y435 PolarHBondContact O-OH 3.3Å |
| 282 | E | 55.4 | Low | 60.5 | Low | 155 Ų | 155 | 88 Ų | 88 | 72% | 0.724 | 45% | 0.454 | S | S | * | . | trans | -131.2 | 142.3 | -177.6 | -64.9 | 175.7 | -173.3 | 0 | 0 | 109.2 | Q280 | Q280-E282 WeakPolarHBondContact CB-O 3.31Å; Q280-E282 PolarHBondContact O-N 3.01Å | ||
| 283 | C | 61 | Low | 60.8 | Low | 52 Ų | 52 | 84.6 Ų | 84.6 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | trans | -143.1 | 116.8 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | T278 L453 | T278-C283 HydrophobicContact CG2-CB 4.23Å; C283-L453 HydrophobicContact CB-CD1 4.44Å | ||
| 284 | L | 61.6 | Low | 61 | Low | 140 Ų | 140 | 82 Ų | 82 | 73% | 0.733 | 42% | 0.421 | S | S | * | . | trans | -80.2 | 120.9 | 175.5 | -174.3 | 67.3 | 0 | 0 | 0 | 109.3 | E286 | L284-E286 HydrophobicContact CD2-CG 4.13Å; L284-E286 HydrophobicContact CG-CG 4.16Å | ||
| 285 | L | 63.3 | Low | 61.3 | Low | 37 Ų | 37 | 77.5 Ų | 77.5 | 19% | 0.194 | 40% | 0.404 | C | S | . | . | trans | -91.1 | 109.8 | 174.1 | -68.1 | 170.8 | 0 | 0 | 0 | 109.4 | L276 L288 I296 L453 L455 | L276-L285 HydrophobicContact CD1-CD2 3.57Å; L285-L288 HydrophobicContact CB-CD1 3.92Å; L285-L288 HydrophobicContact CB-CG 4.49Å; L285-I296 HydrophobicContact CD1-CD1 3.64Å; L285-I296 HydrophobicContact CD1-CG1 4.38Å; L285-L453 HydrophobicContact CD1-CD2 4.11Å; L285-L453 HydrophobicContact CD2-CD2 4.2Å; L285-L455 HydrophobicContact CD1-CD1 4.27Å | ||
| 286 | E | 56.7 | Low | 61.6 | Low | 134 Ų | 134 | 74.3 Ų | 74.3 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | trans | -94.4 | 163.9 | 179.8 | -62.7 | -178.1 | 177.5 | 0 | 0 | 112 | L284 L288 | L284-E286 HydrophobicContact CD2-CG 4.13Å; L284-E286 HydrophobicContact CG-CG 4.16Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 2.86Å | ||
| 287 | N | 54.3 | Low | 61.8 | Low | 147 Ų | 147 | 74.7 Ų | 74.7 | 79% | 0.786 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 58.7 | 27.6 | 175 | -56.8 | -29.9 | 0 | 0 | 0 | 117.2 | ||
| 288 | L | 56.9 | Low | 61.9 | Low | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 135.7 | 170.7 | -62.9 | 163 | 0 | 0 | 0 | 111.1 | L285 E286 Y294 T316 L455 | L285-L288 HydrophobicContact CB-CD1 3.92Å; L285-L288 HydrophobicContact CB-CG 4.49Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 2.86Å; L288-Y294 HydrophobicContact CB-CE2 4.12Å; L288-Y294 HydrophobicContact CD2-CD1 3.97Å; L288-Y294 HydrophobicContact CD2-CD2 4.14Å; L288-Y294 HydrophobicContact CD2-CE1 3.76Å; L288-Y294 HydrophobicContact CD2-CE2 3.93Å; L288-Y294 HydrophobicContact CD2-CG 4.15Å; L288-T316 HydrophobicContact CB-CG2 3.99Å; L288-T316 HydrophobicContact CD1-CG2 4.22Å; L288-L455 HydrophobicContact CD2-CD1 4.04Å; L288-L455 HydrophobicContact CD2-CD2 3.58Å; L288-L455 HydrophobicContact CD2-CG 4.42Å |
| 289 | C | 51.8 | Low | 61.9 | Low | 53 Ų | 53 | 71.1 Ų | 71.1 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 139.8 | 167.7 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | Y294 T316 | C289-Y294 WeakPolarHBondContact CA-OH 3.33Å; C289-Y294 VanDerWaalsContact CB-OH 3.27Å; C289-Y294 WeakPolarHBondContact CB-OH 3.35Å; C289-Y294 PolarHBondContact N-OH 2.7Å; C289-Y294 WeakPolarHBondContact O-CE2 3.36Å; C289-Y294 PolarHBondContact O-OH 2.89Å; C289-T316 WeakPolarHBondContact O-CB 3.26Å; C289-T316 PolarHBondContact O-OG1 3.42Å |
| 290 | S | 51.9 | Low | 62.1 | Low | 11 Ų | 11 | 65.1 Ų | 65.1 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -70.7 | 163.3 | 174.3 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | T292 T316 E317 Y401 | S290-T292 PolarHBondContact O-N 3.16Å; S290-T292 VanDerWaalsContact O-N 3.13Å; S290-T292 PolarHBondContact O-OG1 3.4Å; S290-T316 VanDerWaalsContact C-OG1 3.31Å; S290-T316 WeakPolarHBondContact CA-OG1 3.41Å; S290-E317 VanDerWaalsContact CB-O 3.26Å; S290-E317 WeakPolarHBondContact CB-O 3.43Å; S290-Y401 PolarHBondContact OG-OH 2.83Å |
| 291 | F | 54.3 | Low | 62.3 | Low | 140 Ų | 140 | 59.9 Ų | 59.9 | 61% | 0.614 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 47 | 40.2 | -179.7 | -161.4 | -107.8 | 0 | 0 | 0 | 113.4 | T316 E317 P318 | F291-T316 WeakPolarHBondContact CA-O 3.44Å; F291-T316 PolarHBondContact N-O 3.24Å; F291-T316 PolarHBondContact N-OG1 3.39Å; F291-E317 PolarHBondContact N-O 3.24Å; F291-E317 VanDerWaalsContact N-O 3.09Å; F291-P318 HydrophobicContact CB-CB 4.26Å; F291-P318 HydrophobicContact CD2-CB 3.98Å; F291-P318 HydrophobicContact CD2-CG 4.13Å; F291-P318 HydrophobicContact CG-CB 4.46Å |
| 292 | T | 53.9 | Low | 62.8 | Low | 13 Ų | 13 | 58.6 Ų | 58.6 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | trans | -130.9 | 130.4 | -174.3 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | S290 Y294 T316 R457 | S290-T292 PolarHBondContact O-N 3.16Å; S290-T292 VanDerWaalsContact O-N 3.13Å; S290-T292 PolarHBondContact O-OG1 3.4Å; T292-Y294 HydrophobicContact CG2-CD2 4.21Å; T292-Y294 HydrophobicContact CG2-CE1 4.2Å; T292-Y294 HydrophobicContact CG2-CE2 3.63Å; T292-Y294 VanDerWaalsContact O-CD2 3.26Å; T292-Y294 WeakPolarHBondContact O-CD2 3.41Å; T292-Y294 WeakPolarHBondContact O-CE2 3.28Å; T292-T316 PolarHBondContact N-OG1 3.05Å; T292-T316 PolarHBondContact O-N 3.17Å; T292-T316 PolarHBondContact O-OG1 3.24Å; T292-T316 VanDerWaalsContact O-OG1 3.08Å; T292-R457 HydrophobicContact CG2-CG 3.58Å; T292-R457 PolarHBondContact OG1-NH2 3.49Å | ||
| 293 | A | 63.2 | Low | 63.5 | Low | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 119.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L313 V315 K458 | A293-L313 HydrophobicContact CB-CD1 4.27Å; A293-V315 HydrophobicContact CB-CG2 4.07Å; A293-K458 HydrophobicContact CB-CB 4.47Å; A293-K458 PolarHBondContact O-N 3.19Å |
| 294 | Y | 61.7 | Low | 64 | Low | 16 Ų | 16 | 61.4 Ų | 61.4 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.2 | 173.3 | -65.5 | -86.7 | 0 | 0 | 0 | 110.5 | L288 C289 T292 L313 V314 T316 L455 S456 R457 | L288-Y294 HydrophobicContact CB-CE2 4.12Å; L288-Y294 HydrophobicContact CD2-CD1 3.97Å; L288-Y294 HydrophobicContact CD2-CD2 4.14Å; L288-Y294 HydrophobicContact CD2-CE1 3.76Å; L288-Y294 HydrophobicContact CD2-CE2 3.93Å; L288-Y294 HydrophobicContact CD2-CG 4.15Å; C289-Y294 WeakPolarHBondContact CA-OH 3.33Å; C289-Y294 VanDerWaalsContact CB-OH 3.27Å; C289-Y294 WeakPolarHBondContact CB-OH 3.35Å; C289-Y294 PolarHBondContact N-OH 2.7Å; C289-Y294 WeakPolarHBondContact O-CE2 3.36Å; C289-Y294 PolarHBondContact O-OH 2.89Å; T292-Y294 HydrophobicContact CG2-CD2 4.21Å; T292-Y294 HydrophobicContact CG2-CE1 4.2Å; T292-Y294 HydrophobicContact CG2-CE2 3.63Å; T292-Y294 VanDerWaalsContact O-CD2 3.26Å; T292-Y294 WeakPolarHBondContact O-CD2 3.41Å; T292-Y294 WeakPolarHBondContact O-CE2 3.28Å; Y294-L313 CarbonylContact O-C 3.59Å; Y294-L313 WeakPolarHBondContact O-CA 3.39Å; Y294-V314 PolarHBondContact N-O 2.89Å; Y294-V314 PolarHBondContact O-N 2.93Å; Y294-T316 HydrophobicContact CD2-CG2 3.76Å; Y294-T316 HydrophobicContact CE2-CG2 3.56Å; Y294-L455 HydrophobicContact CD1-CD1 3.88Å; Y294-L455 HydrophobicContact CD1-CD2 4.28Å; Y294-L455 HydrophobicContact CD1-CG 4.08Å; Y294-L455 HydrophobicContact CG-CD1 4.07Å; Y294-S456 CarbonylContact C-O 3.55Å; Y294-S456 WeakPolarHBondContact CA-O 3.47Å; Y294-R457 HydrophobicContact CD1-CB 4.38Å; Y294-R457 HydrophobicContact CE1-CB 4.23Å; Y294-R457 HydrophobicContact CE1-CG 4.3Å |
| 295 | S | 66.7 | Low | 64.2 | Low | 35 Ų | 35 | 64.6 Ų | 64.6 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 108.8 | 167.8 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | L312 S456 | S295-L312 CarbonylContact C-O 3.5Å; S295-L312 WeakPolarHBondContact CA-O 3.49Å; S295-S456 PolarHBondContact N-O 3.23Å; S295-S456 PolarHBondContact O-N 3.39Å |
| 296 | I | 70.5 | Confident | 64.4 | Low | 9 Ų | 9 | 70.5 Ų | 70.5 | 5% | 0.046 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.5 | 174.4 | -63.3 | 168.5 | 0 | 0 | 0 | 108.7 | L285 N311 L312 V314 L453 G454 L455 | L285-I296 HydrophobicContact CD1-CD1 3.64Å; L285-I296 HydrophobicContact CD1-CG1 4.38Å; I296-N311 CarbonylContact O-C 3.58Å; I296-N311 WeakPolarHBondContact O-CA 3.3Å; I296-L312 HydrophobicContact CB-CB 4.25Å; I296-L312 PolarHBondContact N-O 2.95Å; I296-L312 PolarHBondContact O-N 2.79Å; I296-V314 HydrophobicContact CD1-CB 4.27Å; I296-V314 HydrophobicContact CD1-CG2 3.81Å; I296-L453 HydrophobicContact CG2-CD2 3.48Å; I296-L453 VanDerWaalsContact CG2-CD2 3.48Å; I296-L453 HydrophobicContact CG2-CG 4.07Å; I296-G454 CarbonylContact C-O 3.56Å; I296-G454 WeakPolarHBondContact CA-O 3.2Å; I296-L455 HydrophobicContact CD1-CD1 4.14Å; I296-L455 HydrophobicContact CG1-CD1 3.53Å |
| 297 | K | 70 | Confident | 65.2 | Low | 86 Ų | 86 | 67 Ų | 67 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.4 | 171.9 | -174.1 | 171.7 | -175.4 | 177.2 | 0 | 109.7 | M273 P309 I310 N311 G454 | M273-K297 HydrophobicContact CE-CB 3.62Å; K297-P309 HydrophobicContact CD-CB 4.2Å; K297-P309 VanDerWaalsContact CE-CG 3.48Å; K297-P309 HydrophobicContact CG-CB 3.88Å; K297-I310 CarbonylContact C-O 3.51Å; K297-I310 WeakPolarHBondContact CA-O 3.34Å; K297-N311 WeakPolarHBondContact CG-OD1 3.33Å; K297-G454 PolarHBondContact N-O 2.57Å; K297-G454 PolarHBondContact O-N 2.83Å |
| 298 | L | 74.1 | Confident | 66.1 | Low | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.9 | 174.7 | -171.2 | 73.5 | 0 | 0 | 0 | 109.5 | P309 I310 T451 L453 | L298-P309 CarbonylContact O-C 3.59Å; L298-P309 VanDerWaalsContact O-CA 3.26Å; L298-P309 WeakPolarHBondContact O-CA 3.44Å; L298-I310 HydrophobicContact CB-CB 4.27Å; L298-I310 HydrophobicContact CD2-CD1 4.37Å; L298-I310 PolarHBondContact N-O 3.05Å; L298-I310 PolarHBondContact O-N 3.14Å; L298-T451 HydrophobicContact CD1-CG2 3.29Å; L298-T451 HydrophobicContact CG-CG2 4.16Å; L298-L453 HydrophobicContact CD1-CB 4.48Å; L298-L453 HydrophobicContact CD1-CD1 3.56Å; L298-L453 HydrophobicContact CD1-CG 3.86Å |
| 299 | T | 71.6 | Confident | 66.8 | Low | 28 Ų | 28 | 66.2 Ų | 66.2 | 17% | 0.172 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113.4 | 173.8 | -51.5 | 0 | 0 | 0 | 0 | 109 | R452 | T299-R452 PolarHBondContact N-O 3.06Å; T299-R452 PolarHBondContact O-N 3.08Å |
| 300 | V | 75.8 | Confident | 67.8 | Low | 25 Ų | 25 | 67.9 Ų | 67.9 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130.7 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | C307 L449 | V300-C307 HydrophobicContact CB-CB 4.37Å; V300-C307 PolarHBondContact O-N 2.75Å; V300-L449 HydrophobicContact CG1-CD2 3.64Å |
| 301 | S | 71.6 | Confident | 68.5 | Low | 25 Ų | 25 | 72.4 Ų | 72.4 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.7 | 174.6 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | R305 K450 | S301-R305 CarbonylContact C-O 3.58Å; S301-R305 WeakPolarHBondContact CA-O 3.18Å; S301-K450 PolarHBondContact N-O 3.17Å; S301-K450 PolarHBondContact O-N 2.98Å; S301-K450 PolarHBondContact OG-O 2.81Å |
| 302 | L | 73.5 | Confident | 69 | Low | 65 Ų | 65 | 68.2 Ų | 68.2 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 97.3 | 173.6 | -172.9 | 75.2 | 0 | 0 | 0 | 107.4 | K304 R305 H447 L449 | L302-K304 PolarHBondContact O-N 2.8Å; L302-K304 VanDerWaalsContact O-N 3.12Å; L302-R305 PolarHBondContact N-O 3Å; L302-R305 PolarHBondContact O-N 2.83Å; L302-H447 HydrophobicContact CD1-CB 3.72Å; L302-H447 HydrophobicContact CG-CB 3.96Å; L302-L449 HydrophobicContact CB-CD2 4.48Å; L302-L449 HydrophobicContact CD1-CD2 3.84Å; L302-L449 HydrophobicContact CD1-CG 3.79Å |
| 303 | G | 69.8 | Low | 69.3 | Low | 50 Ų | 50 | 72.8 Ų | 72.8 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | -114.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 304 | K | 71 | Confident | 69.3 | Low | 215 Ų | 215 | 73.9 Ų | 73.9 | 94% | 0.935 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -16 | 176.5 | -66.2 | -175.2 | -177.8 | 178.2 | 0 | 113.7 | L302 | L302-K304 PolarHBondContact O-N 2.8Å; L302-K304 VanDerWaalsContact O-N 3.12Å |
| 305 | R | 66.5 | Low | 68.8 | Low | 208 Ų | 208 | 77.2 Ų | 77.2 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.2 | 179.8 | -74 | -174.8 | 176.1 | 177.8 | -0.2 | 110.1 | S301 L302 | S301-R305 CarbonylContact C-O 3.58Å; S301-R305 WeakPolarHBondContact CA-O 3.18Å; L302-R305 PolarHBondContact N-O 3Å; L302-R305 PolarHBondContact O-N 2.83Å |
| 306 | K | 67.5 | Low | 68.2 | Low | 161 Ų | 161 | 76.7 Ų | 76.7 | 70% | 0.7 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129 | 172 | -67.5 | 179.4 | -178.2 | 172.8 | 0 | 108.7 | ||
| 307 | C | 73.4 | Confident | 67.4 | Low | 60 Ų | 60 | 80.1 Ų | 80.1 | 41% | 0.405 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -74 | 155.5 | 169.6 | -65.7 | 0 | 0 | 0 | 0 | 110 | V300 | V300-C307 HydrophobicContact CB-CB 4.37Å; V300-C307 PolarHBondContact O-N 2.75Å |
| 308 | P | 73.3 | Confident | 66.6 | Low | 112 Ų | 112 | 78.6 Ų | 78.6 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 138.7 | 170.8 | 22.6 | -31.8 | 0 | 0 | 0 | 110.1 | ||
| 309 | P | 70.6 | Confident | 65.9 | Low | 56 Ų | 56 | 79.2 Ų | 79.2 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 136.3 | -176.5 | 28.7 | -34.1 | 0 | 0 | 0 | 111.3 | K297 L298 | K297-P309 HydrophobicContact CD-CB 4.2Å; K297-P309 VanDerWaalsContact CE-CG 3.48Å; K297-P309 HydrophobicContact CG-CB 3.88Å; L298-P309 CarbonylContact O-C 3.59Å; L298-P309 VanDerWaalsContact O-CA 3.26Å; L298-P309 WeakPolarHBondContact O-CA 3.44Å |
| 310 | I | 72 | Confident | 65.5 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 46% | 0.456 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.3 | 170.6 | -59.1 | 168.3 | 0 | 0 | 0 | 107.2 | K297 L298 L312 | K297-I310 CarbonylContact C-O 3.51Å; K297-I310 WeakPolarHBondContact CA-O 3.34Å; L298-I310 HydrophobicContact CB-CB 4.27Å; L298-I310 HydrophobicContact CD2-CD1 4.37Å; L298-I310 PolarHBondContact N-O 3.05Å; L298-I310 PolarHBondContact O-N 3.14Å; I310-L312 HydrophobicContact CG2-CD2 3.78Å; I310-L312 HydrophobicContact CG2-CG 4.05Å |
| 311 | N | 67.8 | Low | 65.3 | Low | 105 Ų | 105 | 80.4 Ų | 80.4 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.2 | 174.6 | -56.9 | -53.2 | 0 | 0 | 0 | 108.7 | I296 K297 | I296-N311 CarbonylContact O-C 3.58Å; I296-N311 WeakPolarHBondContact O-CA 3.3Å; K297-N311 WeakPolarHBondContact CG-OD1 3.33Å |
| 312 | L | 64.8 | Low | 65.6 | Low | 52 Ų | 52 | 79.4 Ų | 79.4 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.6 | 179.1 | -57.6 | 174 | 0 | 0 | 0 | 108.2 | S295 I296 I310 V314 I433 | S295-L312 CarbonylContact C-O 3.5Å; S295-L312 WeakPolarHBondContact CA-O 3.49Å; I296-L312 HydrophobicContact CB-CB 4.25Å; I296-L312 PolarHBondContact N-O 2.95Å; I296-L312 PolarHBondContact O-N 2.79Å; I310-L312 HydrophobicContact CG2-CD2 3.78Å; I310-L312 HydrophobicContact CG2-CG 4.05Å; L312-V314 HydrophobicContact CB-CG2 4.47Å; L312-I433 HydrophobicContact CD1-CD1 3.81Å; L312-I433 HydrophobicContact CD1-CG1 4.44Å; L312-I433 HydrophobicContact CD1-CG2 4.19Å |
| 313 | L | 60 | Low | 66 | Low | 110 Ų | 110 | 79.3 Ų | 79.3 | 58% | 0.576 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.3 | 169.6 | -176.3 | 71.4 | 0 | 0 | 0 | 107.3 | A293 Y294 K458 | A293-L313 HydrophobicContact CB-CD1 4.27Å; Y294-L313 CarbonylContact O-C 3.59Å; Y294-L313 WeakPolarHBondContact O-CA 3.39Å; L313-K458 HydrophobicContact CD1-CD 4.25Å |
| 314 | V | 63.5 | Low | 66.5 | Low | 35 Ų | 35 | 82.9 Ų | 82.9 | 21% | 0.212 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115.8 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | Y294 I296 L312 I433 | Y294-V314 PolarHBondContact N-O 2.89Å; Y294-V314 PolarHBondContact O-N 2.93Å; I296-V314 HydrophobicContact CD1-CB 4.27Å; I296-V314 HydrophobicContact CD1-CG2 3.81Å; L312-V314 HydrophobicContact CB-CG2 4.47Å; V314-I433 HydrophobicContact CG2-CD1 4.29Å |
| 315 | V | 51.7 | Low | 67.1 | Low | 86 Ų | 86 | 74 Ų | 74 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.8 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | A293 | A293-V315 HydrophobicContact CB-CG2 4.07Å |
| 316 | T | 52.4 | Low | 68 | Low | 23 Ų | 23 | 67.2 Ų | 67.2 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 138.9 | 171.9 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | L288 C289 S290 F291 T292 Y294 | L288-T316 HydrophobicContact CB-CG2 3.99Å; L288-T316 HydrophobicContact CD1-CG2 4.22Å; C289-T316 WeakPolarHBondContact O-CB 3.26Å; C289-T316 PolarHBondContact O-OG1 3.42Å; S290-T316 VanDerWaalsContact C-OG1 3.31Å; S290-T316 WeakPolarHBondContact CA-OG1 3.41Å; F291-T316 WeakPolarHBondContact CA-O 3.44Å; F291-T316 PolarHBondContact N-O 3.24Å; F291-T316 PolarHBondContact N-OG1 3.39Å; T292-T316 PolarHBondContact N-OG1 3.05Å; T292-T316 PolarHBondContact O-N 3.17Å; T292-T316 PolarHBondContact O-OG1 3.24Å; T292-T316 VanDerWaalsContact O-OG1 3.08Å; Y294-T316 HydrophobicContact CD2-CG2 3.76Å; Y294-T316 HydrophobicContact CE2-CG2 3.56Å |
| 317 | E | 55.7 | Low | 68.9 | Low | 81 Ų | 81 | 60.8 Ų | 60.8 | 38% | 0.379 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 153.7 | -178.3 | -67.3 | 154.1 | -158.6 | 0 | 0 | 111.4 | S290 F291 S429 | S290-E317 VanDerWaalsContact CB-O 3.26Å; S290-E317 WeakPolarHBondContact CB-O 3.43Å; F291-E317 PolarHBondContact N-O 3.24Å; F291-E317 VanDerWaalsContact N-O 3.09Å; E317-S429 VanDerWaalsContact OE1-C 3.3Å; E317-S429 WeakPolarHBondContact OE1-CA 3.42Å; E317-S429 WeakPolarHBondContact OE1-CB 3.31Å; E317-S429 WeakPolarHBondContact OE2-CB 3.5Å |
| 318 | P | 52.4 | Low | 69.6 | Low | 55 Ų | 55 | 64.5 Ų | 64.5 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -68 | 138.3 | 167.3 | 27.6 | -29.6 | 0 | 0 | 0 | 110.3 | F291 P404 | F291-P318 HydrophobicContact CB-CB 4.26Å; F291-P318 HydrophobicContact CD2-CB 3.98Å; F291-P318 HydrophobicContact CD2-CG 4.13Å; F291-P318 HydrophobicContact CG-CB 4.46Å; P318-P404 HydrophobicContact CB-CG 3.79Å; P318-P404 HydrophobicContact CG-CG 3.97Å |
| 319 | E | 58.4 | Low | 70 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -61 | 146 | 170.9 | -63.9 | -74 | -157.1 | 0 | 0 | 110.1 | K344 K346 Y398 P404 | E319-K344 VanDerWaalsContact OE2-CB 3.31Å; E319-K344 WeakPolarHBondContact OE2-CB 2.93Å; E319-K346 PolarHBondContact OE1-N 3.41Å; E319-Y398 HydrophobicContact CB-CE2 4.37Å; E319-P404 VanDerWaalsContact O-CD 3.26Å; E319-P404 WeakPolarHBondContact O-CD 2.87Å |
| 320 | T | 63.7 | Low | 70.7 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 153.4 | -173.2 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | P342 | T320-P342 WeakPolarHBondContact O-CB 3.49Š|
| 321 | S | 71.4 | Confident | 71.2 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -60 | 166.2 | 166.6 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | P404 | S321-P404 VanDerWaalsContact CB-O 3.27Å; S321-P404 WeakPolarHBondContact CB-O 3.4Å |
| 322 | P | 78.2 | Confident | 72 | Confident | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 145.7 | 170.6 | -24.9 | 34.9 | 0 | 0 | 0 | 111.8 | I325 W339 Y352 M394 | P322-I325 HydrophobicContact CB-CG1 4.47Å; P322-W339 HydrophobicContact CB-CB 4.2Å; P322-W339 HydrophobicContact CB-CG 4.28Å; P322-Y352 HydrophobicContact CB-CD1 4.37Å; P322-Y352 HydrophobicContact CB-CE1 4.31Å; P322-Y352 HydrophobicContact CG-CD1 3.61Å; P322-Y352 HydrophobicContact CG-CE1 3.84Å; P322-M394 HydrophobicContact CG-CB 4.11Å |
| 323 | Q | 81.3 | Confident | 73 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 167.9 | -178.7 | -67 | -160.8 | -4.1 | 0 | 0 | 112.1 | I325 S340 C343 | Q323-I325 VanDerWaalsContact C-N 3.27Å; Q323-I325 PolarHBondContact O-N 3.3Å; Q323-S340 WeakPolarHBondContact CB-OG 3.46Å; Q323-S340 PolarHBondContact N-O 3.15Å; Q323-S340 PolarHBondContact O-N 2.83Å; Q323-S340 PolarHBondContact O-OG 2.95Å; Q323-C343 PolarHBondContact NE2-SG 3.19Å; Q323-C343 PolarHBondContact OE1-SG 3.24Å |
| 324 | N | 81.2 | Confident | 74.3 | Confident | 125 Ų | 125 | 64 Ų | 64 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48 | 46.9 | 175.6 | -59.4 | -28.9 | 0 | 0 | 0 | 113.4 | T326 S340 | N324-T326 PolarHBondContact O-N 2.9Å; N324-S340 WeakPolarHBondContact CB-OG 3.28Å; N324-S340 PolarHBondContact ND2-OG 2.61Å |
| 325 | I | 84.5 | Confident | 75.5 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 114.1 | 178.9 | -55.8 | 164.7 | 0 | 0 | 0 | 107.7 | P322 Q323 I327 R338 W339 M394 S406 I409 | P322-I325 HydrophobicContact CB-CG1 4.47Å; Q323-I325 VanDerWaalsContact C-N 3.27Å; Q323-I325 PolarHBondContact O-N 3.3Å; I325-I327 HydrophobicContact CG2-CG1 4.49Å; I325-R338 CarbonylContact C-O 3.52Å; I325-R338 WeakPolarHBondContact CA-O 3.26Å; I325-W339 HydrophobicContact CG1-CB 4.02Å; I325-M394 HydrophobicContact CD1-CB 3.89Å; I325-M394 HydrophobicContact CD1-CG 4.03Å; I325-M394 HydrophobicContact CD1-SD 4.03Å; I325-M394 HydrophobicContact CG1-SD 3.94Å; I325-M394 HydrophobicContact CG2-CG 4.45Å; I325-M394 HydrophobicContact CG2-SD 3.78Å; I325-S406 WeakPolarHBondContact CD1-OG 3.36Å; I325-I409 HydrophobicContact CB-CD1 3.6Å; I325-I409 HydrophobicContact CD1-CD1 4.34Å; I325-I409 HydrophobicContact CG2-CD1 3.66Å |
| 326 | T | 85 | Confident | 77.3 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.1 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 109 | N324 L337 R338 | N324-T326 PolarHBondContact O-N 2.9Å; T326-L337 WeakPolarHBondContact O-CA 3.27Å; T326-R338 PolarHBondContact N-O 3.49Å; T326-R338 PolarHBondContact O-N 2.75Å; T326-R338 PolarHBondContact OG1-O 3.27Å |
| 327 | I | 86.7 | Confident | 79.2 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 14% | 0.138 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.7 | -177.9 | -52.9 | -169.8 | 0 | 0 | 0 | 107.1 | I325 V335 F336 L337 F392 I409 I411 | I325-I327 HydrophobicContact CG2-CG1 4.49Å; I327-V335 HydrophobicContact CG2-CG1 3.12Å; I327-F336 WeakPolarHBondContact CA-O 3.42Å; I327-L337 HydrophobicContact CD1-CD2 4.09Å; I327-L337 HydrophobicContact CD1-CG 4.48Å; I327-L337 HydrophobicContact CG1-CD2 4.13Å; I327-L337 HydrophobicContact CG1-CG 4.14Å; I327-L337 HydrophobicContact CG2-CG 4.46Å; I327-F392 HydrophobicContact CD1-CB 3.59Å; I327-F392 HydrophobicContact CD1-CD2 3.63Å; I327-F392 HydrophobicContact CD1-CG 3.74Å; I327-I409 HydrophobicContact CD1-CB 3.81Å; I327-I409 HydrophobicContact CD1-CG2 3.55Å; I327-I409 HydrophobicContact CG1-CG2 4.01Å; I327-I411 HydrophobicContact CG2-CD1 4.03Å; I327-I411 HydrophobicContact CG2-CG1 3.65Å |
| 328 | K | 86.3 | Confident | 80.9 | Confident | 137 Ų | 137 | 63.7 Ų | 63.7 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.7 | 175.7 | -65.3 | -169.6 | 177.2 | -172.3 | 0 | 109.7 | I330 F336 | K328-I330 PolarHBondContact O-N 2.92Å; K328-F336 PolarHBondContact N-O 3.21Å; K328-F336 PolarHBondContact O-N 2.86Å |
| 329 | P | 83.4 | Confident | 82.7 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 134 | 168.6 | 28.5 | -32 | 0 | 0 | 0 | 108.8 | I411 | P329-I411 HydrophobicContact CB-CD1 4.38Å; P329-I411 HydrophobicContact CG-CG2 4.23Å |
| 330 | I | 83.6 | Confident | 84 | Confident | 93 Ų | 93 | 62 Ų | 62 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -50.7 | 171.2 | -67.2 | -167.6 | 0 | 0 | 0 | 109.1 | K328 S334 F336 L380 | K328-I330 PolarHBondContact O-N 2.92Å; I330-S334 PolarHBondContact N-O 2.76Å; I330-F336 HydrophobicContact CD1-CB 3.5Å; I330-F336 HydrophobicContact CD1-CD2 4.13Å; I330-F336 HydrophobicContact CD1-CG 4.01Å; I330-F336 HydrophobicContact CG1-CB 3.71Å; I330-L380 HydrophobicContact CD1-CD1 3.81Å; I330-L380 HydrophobicContact CG1-CD1 4.46Å |
| 331 | D | 83.5 | Confident | 85 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 174 | -177.4 | -59.9 | -44.5 | 0 | 0 | 0 | 111 | K333 S334 | D331-K333 PolarHBondContact O-N 2.79Å; D331-S334 PolarHBondContact N-O 2.82Å; D331-S334 PolarHBondContact O-N 2.76Å |
| 332 | S | 83.4 | Confident | 85.2 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -10.8 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 115 | P387 | S332-P387 WeakPolarHBondContact O-CD 3.5Š|
| 333 | K | 87.4 | Confident | 84.4 | Confident | 126 Ų | 126 | 65 Ų | 65 | 55% | 0.548 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 3.6 | 179.1 | -59.5 | -169.7 | 176.5 | -175.1 | 0 | 114.4 | D331 D383 L384 | D331-K333 PolarHBondContact O-N 2.79Å; K333-D383 PolarHBondContact O-N 3.06Å; K333-L384 WeakPolarHBondContact CA-O 3.37Å; K333-L384 WeakPolarHBondContact CB-O 3.35Å; K333-L384 WeakPolarHBondContact CG-O 3.32Å; K333-L384 WeakPolarHBondContact O-CB 3.27Å; K333-L384 PolarHBondContact O-N 2.95Å |
| 334 | S | 86.9 | Confident | 83.4 | Confident | 15 Ų | 15 | 67.6 Ų | 67.6 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 133.8 | -168.2 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | I330 D331 V381 | I330-S334 PolarHBondContact N-O 2.76Å; D331-S334 PolarHBondContact N-O 2.82Å; D331-S334 PolarHBondContact O-N 2.76Å; S334-V381 VanDerWaalsContact CA-O 3.31Å; S334-V381 WeakPolarHBondContact CA-O 3.26Å |
| 335 | V | 88.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.9 | -176.7 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | I327 L337 V381 L384 P387 F392 I411 | I327-V335 HydrophobicContact CG2-CG1 3.12Å; V335-L337 HydrophobicContact CG1-CD1 3.95Å; V335-V381 PolarHBondContact N-O 3.02Å; V335-V381 PolarHBondContact O-N 3.34Å; V335-L384 HydrophobicContact CB-CD1 3.88Å; V335-L384 HydrophobicContact CG2-CD1 3.44Å; V335-L384 VanDerWaalsContact CG2-CD1 3.44Å; V335-P387 HydrophobicContact CG2-CB 3.63Å; V335-P387 HydrophobicContact CG2-CG 4.21Å; V335-F392 HydrophobicContact CB-CZ 4.27Å; V335-F392 HydrophobicContact CG1-CE2 4.47Å; V335-F392 HydrophobicContact CG1-CZ 4.14Å; V335-F392 HydrophobicContact CG2-CZ 4.36Å; V335-I411 HydrophobicContact CB-CD1 4.45Å; V335-I411 HydrophobicContact CG1-CD1 3.97Å; V335-I411 HydrophobicContact CG2-CD1 3.53Å |
| 336 | F | 90.5 | Very high | 81 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.8 | 177.9 | -174.3 | -102.6 | 0 | 0 | 0 | 110.8 | I327 K328 I330 R338 S378 L380 | I327-F336 WeakPolarHBondContact CA-O 3.42Å; K328-F336 PolarHBondContact N-O 3.21Å; K328-F336 PolarHBondContact O-N 2.86Å; I330-F336 HydrophobicContact CD1-CB 3.5Å; I330-F336 HydrophobicContact CD1-CD2 4.13Å; I330-F336 HydrophobicContact CD1-CG 4.01Å; I330-F336 HydrophobicContact CG1-CB 3.71Å; F336-R338 HydrophobicContact CE1-CB 4.09Å; F336-S378 VanDerWaalsContact CZ-CB 3.45Å; F336-L380 HydrophobicContact CB-CD1 4.31Å; F336-L380 HydrophobicContact CD2-CD1 4.45Å |
| 337 | L | 90.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.8 | 174 | -70.5 | 93.9 | 0 | 0 | 0 | 109.6 | T326 I327 V335 W339 I354 S378 S379 V381 F392 M394 | T326-L337 WeakPolarHBondContact O-CA 3.27Å; I327-L337 HydrophobicContact CD1-CD2 4.09Å; I327-L337 HydrophobicContact CD1-CG 4.48Å; I327-L337 HydrophobicContact CG1-CD2 4.13Å; I327-L337 HydrophobicContact CG1-CG 4.14Å; I327-L337 HydrophobicContact CG2-CG 4.46Å; V335-L337 HydrophobicContact CG1-CD1 3.95Å; L337-W339 HydrophobicContact CB-CE3 4.15Å; L337-W339 HydrophobicContact CB-CZ3 3.92Å; L337-W339 WeakPolarHBondContact O-CZ3 3.5Å; L337-I354 HydrophobicContact CD2-CG2 4.06Å; L337-S378 CarbonylContact O-C 3.59Å; L337-S378 WeakPolarHBondContact O-CA 3.42Å; L337-S378 WeakPolarHBondContact O-CB 3.42Å; L337-S379 PolarHBondContact N-O 3.23Å; L337-S379 PolarHBondContact O-N 2.93Å; L337-V381 HydrophobicContact CD1-CB 4.38Å; L337-V381 HydrophobicContact CD1-CG2 3.7Å; L337-F392 HydrophobicContact CD1-CD1 3.99Å; L337-F392 HydrophobicContact CD1-CE1 4Å; L337-F392 HydrophobicContact CD2-CB 4.09Å; L337-F392 HydrophobicContact CD2-CD1 3.89Å; L337-F392 HydrophobicContact CD2-CG 4.15Å; L337-M394 HydrophobicContact CD2-SD 4.46Å |
| 338 | R | 91 | Very high | 79.4 | Confident | 155 Ų | 155 | 75.4 Ų | 75.4 | 59% | 0.585 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.6 | 171.1 | 176.6 | -179.2 | -177.7 | 136.3 | 0.7 | 109.4 | I325 T326 F336 | I325-R338 CarbonylContact C-O 3.52Å; I325-R338 WeakPolarHBondContact CA-O 3.26Å; T326-R338 PolarHBondContact N-O 3.49Å; T326-R338 PolarHBondContact O-N 2.75Å; T326-R338 PolarHBondContact OG1-O 3.27Å; F336-R338 HydrophobicContact CE1-CB 4.09Å |
| 339 | W | 91.6 | Very high | 79.1 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 2% | 0.023 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 163.1 | -179.1 | 58 | 93.5 | 0 | 0 | 0 | 111 | P322 I325 L337 Y352 I354 V372 R377 M394 | P322-W339 HydrophobicContact CB-CB 4.2Å; P322-W339 HydrophobicContact CB-CG 4.28Å; I325-W339 HydrophobicContact CG1-CB 4.02Å; L337-W339 HydrophobicContact CB-CE3 4.15Å; L337-W339 HydrophobicContact CB-CZ3 3.92Å; L337-W339 WeakPolarHBondContact O-CZ3 3.5Å; W339-Y352 AromaticContact CD1-CD1 3.99Å; W339-Y352 AromaticContact CD1-CE1 3.95Å; W339-Y352 HydrophobicContact CZ2-CD2 4.28Å; W339-Y352 HydrophobicContact CZ2-CG 4.19Å; W339-Y352 AromaticContact NE1-CD1 3.51Å; W339-Y352 AromaticContact NE1-CD2 3.53Å; W339-Y352 AromaticContact NE1-CE1 3.72Å; W339-Y352 AromaticContact NE1-CE2 3.79Å; W339-Y352 AromaticContact NE1-CG 3.39Å; W339-Y352 AromaticContact NE1-CZ 3.87Å; W339-I354 HydrophobicContact CH2-CD1 3.81Å; W339-I354 HydrophobicContact CH2-CG1 4.46Å; W339-I354 HydrophobicContact CZ3-CD1 3.82Å; W339-I354 HydrophobicContact CZ3-CG1 4.48Å; W339-V372 HydrophobicContact CH2-CB 4.35Å; W339-V372 HydrophobicContact CH2-CG1 4.07Å; W339-V372 HydrophobicContact CH2-CG2 4.16Å; W339-V372 HydrophobicContact CZ2-CB 4.27Å; W339-V372 HydrophobicContact CZ2-CG1 3.93Å; W339-R377 PolarHBondContact N-O 2.93Å; W339-M394 HydrophobicContact CB-CE 4.35Å; W339-M394 HydrophobicContact CB-SD 4.13Å; W339-M394 HydrophobicContact CD2-CE 3.2Å; W339-M394 HydrophobicContact CD2-SD 3.88Å; W339-M394 VanDerWaalsContact CE2-CE 3.49Å; W339-M394 HydrophobicContact CE3-CE 3.35Å; W339-M394 HydrophobicContact CE3-SD 3.7Å; W339-M394 HydrophobicContact CG-CE 3.67Å; W339-M394 HydrophobicContact CG-SD 4.08Å; W339-M394 HydrophobicContact CH2-CE 4.02Å; W339-M394 HydrophobicContact CZ2-CE 3.9Å; W339-M394 HydrophobicContact CZ3-CE 3.75Å; W339-M394 HydrophobicContact CZ3-SD 4.39Å |
| 340 | S | 85.7 | Confident | 78.9 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 157.5 | 169.4 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | Q323 N324 | Q323-S340 WeakPolarHBondContact CB-OG 3.46Å; Q323-S340 PolarHBondContact N-O 3.15Å; Q323-S340 PolarHBondContact O-N 2.83Å; Q323-S340 PolarHBondContact O-OG 2.95Å; N324-S340 WeakPolarHBondContact CB-OG 3.28Å; N324-S340 PolarHBondContact ND2-OG 2.61Å |
| 341 | S | 83.6 | Confident | 79 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | trans | -54.6 | 150.9 | 174.4 | -156.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 342 | P | 77.2 | Confident | 79.3 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 5% | 0.045 | 33% | 0.328 | C | S | . | . | trans | -53.8 | 137.9 | 171.1 | -26.6 | 35.7 | 0 | 0 | 0 | 112 | T320 K344 S396 | T320-P342 WeakPolarHBondContact O-CB 3.49Å; P342-K344 VanDerWaalsContact C-N 3.31Å; P342-K344 PolarHBondContact O-N 2.85Å; P342-S396 VanDerWaalsContact CG-OG 3.25Å; P342-S396 WeakPolarHBondContact CG-OG 3.32Å | ||
| 343 | C | 61.1 | Low | 79.4 | Confident | 93 Ų | 93 | 59.1 Ų | 59.1 | 63% | 0.628 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -64.5 | -35.6 | 178.2 | -95.3 | 0 | 0 | 0 | 0 | 112.7 | Q323 | Q323-C343 PolarHBondContact NE2-SG 3.19Å; Q323-C343 PolarHBondContact OE1-SG 3.24Å |
| 344 | K | 60.6 | Low | 79.4 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -112.8 | 105.5 | 173.6 | -63 | -176.7 | -179 | -178.4 | 0 | 106.5 | E319 P342 | E319-K344 VanDerWaalsContact OE2-CB 3.31Å; E319-K344 WeakPolarHBondContact OE2-CB 2.93Å; P342-K344 VanDerWaalsContact C-N 3.31Å; P342-K344 PolarHBondContact O-N 2.85Å |
| 345 | S | 55.9 | Low | 79.4 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | trans | -143.2 | 106.9 | 164.2 | 58.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 346 | K | 58 | Low | 79.2 | Confident | 142 Ų | 142 | 55.7 Ų | 55.7 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -76.1 | -31.6 | 167.5 | -73.7 | -175 | 176.4 | -178.8 | 0 | 111.3 | E319 | E319-K346 PolarHBondContact OE1-N 3.41Š|
| 347 | N | 66 | Low | 78.9 | Confident | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -88.7 | 144.2 | -179.3 | -65 | -28.7 | 0 | 0 | 0 | 111.2 | V349 Y398 Y401 | N347-V349 PolarHBondContact O-N 3.3Å; N347-Y398 HydrophobicContact CB-CD1 3.7Å; N347-Y398 HydrophobicContact CB-CE1 4.02Å; N347-Y398 WeakPolarHBondContact O-CE1 3.26Å; N347-Y401 PolarHBondContact ND2-OH 2.83Å |
| 348 | I | 73.1 | Confident | 78.4 | Confident | 158 Ų | 158 | 55 Ų | 55 | 81% | 0.81 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 122.9 | 173.5 | -59 | 170.7 | 0 | 0 | 0 | 108.2 | K350 | I348-K350 PolarHBondContact O-N 3.2Š|
| 349 | V | 79.4 | Confident | 77.3 | Confident | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 128.7 | 171 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | N347 A351 Y352 A374 Y398 | N347-V349 PolarHBondContact O-N 3.3Å; V349-A351 WeakPolarHBondContact CG1-O 3.14Å; V349-Y352 HydrophobicContact CG1-CD1 4.4Å; V349-Y352 HydrophobicContact CG1-CD2 4.35Å; V349-Y352 HydrophobicContact CG1-CE1 4.02Å; V349-Y352 HydrophobicContact CG1-CE2 3.91Å; V349-A374 WeakPolarHBondContact O-CB 2.88Å; V349-Y398 HydrophobicContact CB-CE1 4.47Å; V349-Y398 HydrophobicContact CG2-CD1 4.49Å; V349-Y398 HydrophobicContact CG2-CE1 3.72Å |
| 350 | K | 80 | Confident | 75.9 | Confident | 143 Ų | 143 | 54.8 Ų | 54.8 | 62% | 0.622 | 28% | 0.283 | S | S | * | . | trans | -89.3 | -36.5 | 177.2 | -175.1 | 177.2 | -178.1 | 174.6 | 0 | 111.8 | I348 A374 V397 | I348-K350 PolarHBondContact O-N 3.2Å; K350-A374 VanDerWaalsContact O-CB 3.28Å; K350-A374 WeakPolarHBondContact O-CB 3.02Å; K350-A374 PolarHBondContact O-N 2.8Å; K350-V397 PolarHBondContact N-O 2.85Å | ||
| 351 | A | 85 | Confident | 74.5 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 168.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V349 I371 V372 V397 | V349-A351 WeakPolarHBondContact CG1-O 3.14Å; A351-I371 HydrophobicContact CB-CG2 3.71Å; A351-V372 CarbonylContact C-O 3.57Å; A351-V372 VanDerWaalsContact CA-O 3.25Å; A351-V372 WeakPolarHBondContact CA-O 3.42Å; A351-V372 VanDerWaalsContact CB-O 3.25Å; A351-V372 WeakPolarHBondContact CB-O 3.44Å; A351-V397 HydrophobicContact CB-CB 4.09Å; A351-V397 HydrophobicContact CB-CG2 4.34Å; A351-V397 PolarHBondContact N-O 2.82Å; A351-V397 WeakPolarHBondContact O-CA 3.28Å; A351-V397 VanDerWaalsContact O-CB 3.31Å; A351-V397 WeakPolarHBondContact O-CB 3.48Å; A351-V397 PolarHBondContact O-N 2.77Å |
| 352 | Y | 89.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.9 | 167.7 | -64.5 | -84.3 | 0 | 0 | 0 | 109.3 | P322 W339 V349 I371 V372 R377 | P322-Y352 HydrophobicContact CB-CD1 4.37Å; P322-Y352 HydrophobicContact CB-CE1 4.31Å; P322-Y352 HydrophobicContact CG-CD1 3.61Å; P322-Y352 HydrophobicContact CG-CE1 3.84Å; W339-Y352 AromaticContact CD1-CD1 3.99Å; W339-Y352 AromaticContact CD1-CE1 3.95Å; W339-Y352 HydrophobicContact CZ2-CD2 4.28Å; W339-Y352 HydrophobicContact CZ2-CG 4.19Å; W339-Y352 AromaticContact NE1-CD1 3.51Å; W339-Y352 AromaticContact NE1-CD2 3.53Å; W339-Y352 AromaticContact NE1-CE1 3.72Å; W339-Y352 AromaticContact NE1-CE2 3.79Å; W339-Y352 AromaticContact NE1-CG 3.39Å; W339-Y352 AromaticContact NE1-CZ 3.87Å; V349-Y352 HydrophobicContact CG1-CD1 4.4Å; V349-Y352 HydrophobicContact CG1-CD2 4.35Å; V349-Y352 HydrophobicContact CG1-CE1 4.02Å; V349-Y352 HydrophobicContact CG1-CE2 3.91Å; Y352-I371 CarbonylContact O-C 3.56Å; Y352-I371 WeakPolarHBondContact O-CA 3.46Å; Y352-V372 PolarHBondContact N-O 3.34Å; Y352-V372 PolarHBondContact O-N 3.29Å; Y352-R377 VanDerWaalsContact CE2-NH1 3.28Å |
| 353 | A | 85.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y355 M394 S395 V397 | A353-Y355 HydrophobicContact CB-CD2 4.41Å; A353-Y355 HydrophobicContact CB-CE2 3.58Å; A353-M394 WeakPolarHBondContact O-CA 3.47Å; A353-S395 PolarHBondContact N-O 2.84Å; A353-S395 PolarHBondContact O-N 2.92Å; A353-V397 HydrophobicContact CB-CG2 3.81Å |
| 354 | I | 89.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.7 | 172.1 | -55.4 | 169.1 | 0 | 0 | 0 | 107.1 | L337 W339 Y356 K369 K370 V372 F392 M394 | L337-I354 HydrophobicContact CD2-CG2 4.06Å; W339-I354 HydrophobicContact CH2-CD1 3.81Å; W339-I354 HydrophobicContact CH2-CG1 4.46Å; W339-I354 HydrophobicContact CZ3-CD1 3.82Å; W339-I354 HydrophobicContact CZ3-CG1 4.48Å; I354-Y356 HydrophobicContact CG2-CD1 4.41Å; I354-K369 CarbonylContact O-C 3.55Å; I354-K369 VanDerWaalsContact O-CA 3.32Å; I354-K369 WeakPolarHBondContact O-CA 3.25Å; I354-K370 HydrophobicContact CB-CB 4.4Å; I354-K370 PolarHBondContact N-O 2.7Å; I354-K370 PolarHBondContact O-N 3.14Å; I354-V372 HydrophobicContact CD1-CG2 3.86Å; I354-V372 HydrophobicContact CG1-CG2 4.46Å; I354-F392 HydrophobicContact CG2-CD1 4.4Å; I354-M394 HydrophobicContact CD1-CE 4.44Å; I354-M394 HydrophobicContact CG1-CE 3.71Å; I354-M394 HydrophobicContact CG1-CG 4.42Å; I354-M394 HydrophobicContact CG1-SD 4.45Å |
| 355 | Y | 84.9 | Confident | 72.8 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.6 | 175.1 | -61.7 | -92.6 | 0 | 0 | 0 | 108.8 | A353 Q368 K369 F392 C393 L405 | A353-Y355 HydrophobicContact CB-CD2 4.41Å; A353-Y355 HydrophobicContact CB-CE2 3.58Å; Y355-Q368 CarbonylContact C-O 3.53Å; Y355-Q368 VanDerWaalsContact CA-O 3.28Å; Y355-Q368 WeakPolarHBondContact CA-O 3.47Å; Y355-K369 HydrophobicContact CD1-CB 4.08Å; Y355-K369 HydrophobicContact CE1-CB 4.03Å; Y355-F392 CarbonylContact O-C 3.49Å; Y355-F392 WeakPolarHBondContact O-CA 3.31Å; Y355-C393 PolarHBondContact N-O 2.95Å; Y355-C393 PolarHBondContact O-N 3.33Å; Y355-L405 HydrophobicContact CD2-CD2 3.47Å; Y355-L405 VanDerWaalsContact CD2-CD2 3.47Å; Y355-L405 HydrophobicContact CE2-CD2 3.68Å; Y355-L405 HydrophobicContact CG-CD2 4.22Å |
| 356 | Y | 85.6 | Confident | 73.5 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.3 | 177.7 | 60.6 | -78.9 | 0 | 0 | 0 | 112.4 | I354 Q368 K370 V381 L384 Y390 Y391 F392 | I354-Y356 HydrophobicContact CG2-CD1 4.41Å; Y356-Q368 HydrophobicContact CD1-CB 4.34Å; Y356-Q368 HydrophobicContact CD2-CB 4.18Å; Y356-Q368 HydrophobicContact CE1-CB 3.95Å; Y356-Q368 HydrophobicContact CE2-CB 3.8Å; Y356-Q368 HydrophobicContact CE2-CG 4.45Å; Y356-Q368 HydrophobicContact CG-CB 4.42Å; Y356-Q368 PolarHBondContact N-O 2.79Å; Y356-Q368 WeakPolarHBondContact O-CB 3.25Å; Y356-Q368 PolarHBondContact O-N 2.8Å; Y356-Q368 PolarHBondContact OH-OE1 3.22Å; Y356-K370 HydrophobicContact CE1-CB 4.32Å; Y356-V381 HydrophobicContact CD1-CG1 4.27Å; Y356-V381 HydrophobicContact CD2-CG1 4.18Å; Y356-V381 HydrophobicContact CE1-CG1 3.95Å; Y356-V381 HydrophobicContact CE2-CG1 3.82Å; Y356-V381 HydrophobicContact CG-CG1 4.4Å; Y356-L384 HydrophobicContact CD2-CD2 3.83Å; Y356-L384 HydrophobicContact CE2-CD2 3.87Å; Y356-Y390 AromaticContact CD2-CD1 3.84Å; Y356-Y390 HydrophobicContact CD2-CD1 3.84Å; Y356-Y390 AromaticContact CD2-CE1 3.96Å; Y356-Y390 HydrophobicContact CD2-CE1 3.96Å; Y356-Y391 WeakPolarHBondContact CA-O 3.25Å; Y356-F392 HydrophobicContact CG-CD1 4.35Å; Y356-F392 HydrophobicContact CG-CE1 4.1Å |
| 357 | S | 83.7 | Confident | 74.5 | Confident | 8 Ų | 8 | 62 Ų | 62 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 141.4 | 179.4 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | H359 Y391 | S357-H359 PolarHBondContact OG-N 3.14Å; S357-Y391 PolarHBondContact N-O 2.65Å; S357-Y391 VanDerWaalsContact N-O 3.16Å; S357-Y391 PolarHBondContact O-N 3.25Å |
| 358 | N | 79.4 | Confident | 75.4 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -99.3 | -13.4 | 167.5 | 58.6 | -20.8 | 0 | 0 | 0 | 112.8 | L360 E385 D389 Y390 | N358-L360 PolarHBondContact O-N 2.92Å; N358-E385 PolarHBondContact ND2-OE2 3.08Å; N358-E385 VanDerWaalsContact ND2-OE2 3.08Å; N358-D389 WeakPolarHBondContact CA-O 3.31Å; N358-D389 HydrophobicContact CB-CB 4.38Å; N358-Y390 HydrophobicContact CB-CD1 4.04Å; N358-Y390 HydrophobicContact CB-CD2 3.89Å; N358-Y390 HydrophobicContact CB-CE1 3.88Å; N358-Y390 HydrophobicContact CB-CE2 3.71Å; N358-Y390 HydrophobicContact CB-CG 4.05Å; N358-Y390 VanDerWaalsContact CG-CZ 3.44Å; N358-Y390 PolarHBondContact ND2-OH 3.29Å |
| 359 | H | 69.4 | Low | 76 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -95 | 86.2 | -177.9 | -65 | 84.7 | 0 | 0 | 0 | 110.6 | S357 N362 | S357-H359 PolarHBondContact OG-N 3.14Å; H359-N362 WeakPolarHBondContact O-CB 3.42Å; H359-N362 PolarHBondContact O-N 3.09Å |
| 360 | L | 62 | Low | 76.6 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 138.8 | 166.1 | -88.7 | 69.1 | 0 | 0 | 0 | 109.5 | N358 Y391 V417 P419 | N358-L360 PolarHBondContact O-N 2.92Å; L360-Y391 HydrophobicContact CD1-CD2 3.53Å; L360-Y391 HydrophobicContact CD1-CE2 4.03Å; L360-Y391 HydrophobicContact CD1-CG 4.43Å; L360-Y391 HydrophobicContact CD2-CD2 4.13Å; L360-Y391 HydrophobicContact CD2-CE2 3.89Å; L360-V417 HydrophobicContact CB-CG1 3.99Å; L360-V417 HydrophobicContact CD2-CG1 4.15Å; L360-P419 HydrophobicContact CD2-CB 4.08Å; L360-P419 HydrophobicContact CD2-CG 4.42Å |
| 361 | P | 56.9 | Low | 77.1 | Confident | 94 Ų | 94 | 64 Ų | 64 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -110.6 | 51.8 | 16.3 | 40.3 | -31 | 0 | 0 | 0 | 113.2 | A363 Y422 | P361-A363 PolarHBondContact O-N 2.95Å; P361-Y422 HydrophobicContact CB-CE2 4.41Å |
| 362 | N | 61.3 | Low | 77.4 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | trans | -63.3 | 136.3 | 176.3 | -72.7 | -16.9 | 0 | 0 | 0 | 111.3 | H359 N366 W367 | H359-N362 WeakPolarHBondContact O-CB 3.42Å; H359-N362 PolarHBondContact O-N 3.09Å; N362-N366 HydrophobicContact CB-CB 4.34Å; N362-W367 PolarHBondContact O-NE1 2.77Å; N362-W367 VanDerWaalsContact O-NE1 3.14Å | ||
| 363 | A | 60 | Low | 77.4 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | trans | -53.7 | 146.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P361 E365 N366 | P361-A363 PolarHBondContact O-N 2.95Å; A363-E365 PolarHBondContact O-N 3.28Å; A363-N366 PolarHBondContact O-N 3.06Å | ||
| 364 | F | 61 | Low | 77.4 | Confident | 118 Ų | 118 | 68 Ų | 68 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -54.4 | -27.5 | -175.7 | 74.3 | -89.2 | 0 | 0 | 0 | 113.5 | N366 W367 L405 | F364-N366 PolarHBondContact O-N 3.13Å; F364-W367 WeakPolarHBondContact O-CB 3.21Å; F364-W367 PolarHBondContact O-N 2.8Å; F364-L405 HydrophobicContact CB-CD1 4.22Å; F364-L405 HydrophobicContact CD2-CD1 4.27Å; F364-L405 HydrophobicContact CG-CD1 4.32Å |
| 365 | E | 64.5 | Low | 77.2 | Confident | 149 Ų | 149 | 76.6 Ų | 76.6 | 70% | 0.696 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -62.2 | -27.5 | 178.2 | -62.3 | -178.1 | 171.1 | 0 | 0 | 113 | A363 | A363-E365 PolarHBondContact O-N 3.28Š|
| 366 | N | 69.9 | Low | 77.4 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 61% | 0.61 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -93.6 | 3.2 | -178.1 | -66.3 | -18.8 | 0 | 0 | 0 | 113 | N362 A363 F364 | N362-N366 HydrophobicContact CB-CB 4.34Å; A363-N366 PolarHBondContact O-N 3.06Å; F364-N366 PolarHBondContact O-N 3.13Å |
| 367 | W | 79.3 | Confident | 77.5 | Confident | 38 Ų | 38 | 82.3 Ų | 82.3 | 14% | 0.144 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -73.7 | 148.9 | 178 | -71.8 | 29.7 | 0 | 0 | 0 | 110.3 | N362 F364 K369 C393 | N362-W367 PolarHBondContact O-NE1 2.77Å; N362-W367 VanDerWaalsContact O-NE1 3.14Å; F364-W367 WeakPolarHBondContact O-CB 3.21Å; F364-W367 PolarHBondContact O-N 2.8Å; W367-K369 PolarHBondContact O-N 2.87Å; W367-C393 HydrophobicContact CZ3-CB 4.2Å |
| 368 | Q | 84.3 | Confident | 77.7 | Confident | 100 Ų | 100 | 84 Ų | 84 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137.3 | 173.3 | -63 | -174.3 | -5.1 | 0 | 0 | 108.8 | Y355 Y356 | Y355-Q368 CarbonylContact C-O 3.53Å; Y355-Q368 VanDerWaalsContact CA-O 3.28Å; Y355-Q368 WeakPolarHBondContact CA-O 3.47Å; Y356-Q368 HydrophobicContact CD1-CB 4.34Å; Y356-Q368 HydrophobicContact CD2-CB 4.18Å; Y356-Q368 HydrophobicContact CE1-CB 3.95Å; Y356-Q368 HydrophobicContact CE2-CB 3.8Å; Y356-Q368 HydrophobicContact CE2-CG 4.45Å; Y356-Q368 HydrophobicContact CG-CB 4.42Å; Y356-Q368 PolarHBondContact N-O 2.79Å; Y356-Q368 WeakPolarHBondContact O-CB 3.25Å; Y356-Q368 PolarHBondContact O-N 2.8Å; Y356-Q368 PolarHBondContact OH-OE1 3.22Å |
| 369 | K | 86.5 | Confident | 78.3 | Confident | 147 Ų | 147 | 82.6 Ų | 82.6 | 64% | 0.639 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.4 | -176.3 | 71.3 | -178.7 | -179.1 | -176.2 | 0 | 111.3 | I354 Y355 W367 | I354-K369 CarbonylContact O-C 3.55Å; I354-K369 VanDerWaalsContact O-CA 3.32Å; I354-K369 WeakPolarHBondContact O-CA 3.25Å; Y355-K369 HydrophobicContact CD1-CB 4.08Å; Y355-K369 HydrophobicContact CE1-CB 4.03Å; W367-K369 PolarHBondContact O-N 2.87Å |
| 370 | K | 90.4 | Very high | 79.3 | Confident | 66 Ų | 66 | 80.5 Ų | 80.5 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.5 | 169.8 | -173.2 | 177.4 | -172.9 | -170.5 | 0 | 109.5 | I354 Y356 V372 S379 L380 V381 | I354-K370 HydrophobicContact CB-CB 4.4Å; I354-K370 PolarHBondContact N-O 2.7Å; I354-K370 PolarHBondContact O-N 3.14Å; Y356-K370 HydrophobicContact CE1-CB 4.32Å; K370-V372 HydrophobicContact CG-CG2 4.5Å; K370-S379 WeakPolarHBondContact CE-OG 2.93Å; K370-S379 PolarHBondContact NZ-OG 3.02Å; K370-L380 PolarHBondContact NZ-O 2.84Å; K370-V381 HydrophobicContact CD-CG2 4.35Å |
| 371 | I | 90.8 | Very high | 80.5 | Confident | 106 Ų | 106 | 78.4 Ų | 78.4 | 54% | 0.544 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.4 | 177.6 | -58.4 | 175.8 | 0 | 0 | 0 | 108.4 | A351 Y352 | A351-I371 HydrophobicContact CB-CG2 3.71Å; Y352-I371 CarbonylContact O-C 3.56Å; Y352-I371 WeakPolarHBondContact O-CA 3.46Å |
| 372 | V | 91.3 | Very high | 82 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.5 | -177.3 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | W339 A351 Y352 I354 K370 E376 | W339-V372 HydrophobicContact CH2-CB 4.35Å; W339-V372 HydrophobicContact CH2-CG1 4.07Å; W339-V372 HydrophobicContact CH2-CG2 4.16Å; W339-V372 HydrophobicContact CZ2-CB 4.27Å; W339-V372 HydrophobicContact CZ2-CG1 3.93Å; A351-V372 CarbonylContact C-O 3.57Å; A351-V372 VanDerWaalsContact CA-O 3.25Å; A351-V372 WeakPolarHBondContact CA-O 3.42Å; A351-V372 VanDerWaalsContact CB-O 3.25Å; A351-V372 WeakPolarHBondContact CB-O 3.44Å; Y352-V372 PolarHBondContact N-O 3.34Å; Y352-V372 PolarHBondContact O-N 3.29Å; I354-V372 HydrophobicContact CD1-CG2 3.86Å; I354-V372 HydrophobicContact CG1-CG2 4.46Å; K370-V372 HydrophobicContact CG-CG2 4.5Å; V372-E376 HydrophobicContact CG1-CB 3.61Å |
| 373 | P | 89.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 79.8 Ų | 79.8 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 153.2 | 178 | -24.4 | 34 | 0 | 0 | 0 | 113.2 | E375 E376 | P373-E375 PolarHBondContact O-N 3.27Å; P373-E375 VanDerWaalsContact O-N 3.14Å; P373-E376 PolarHBondContact O-N 2.84Å |
| 374 | A | 85.7 | Confident | 84.3 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V349 K350 R377 | V349-A374 WeakPolarHBondContact O-CB 2.88Å; K350-A374 VanDerWaalsContact O-CB 3.28Å; K350-A374 WeakPolarHBondContact O-CB 3.02Å; K350-A374 PolarHBondContact O-N 2.8Å; A374-R377 PolarHBondContact O-NH1 3.44Å; A374-R377 PolarHBondContact O-NH2 2.86Å |
| 375 | E | 84.9 | Confident | 85.2 | Confident | 182 Ų | 182 | 79 Ų | 79 | 85% | 0.85 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -30.5 | 178.5 | -64.4 | 175.7 | -170.3 | 0 | 0 | 111.3 | P373 | P373-E375 PolarHBondContact O-N 3.27Å; P373-E375 VanDerWaalsContact O-N 3.14Å |
| 376 | E | 87.8 | Confident | 85.9 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | trans | -80.5 | 138 | -178.9 | -67 | 177 | -154.1 | 0 | 0 | 110.9 | V372 P373 | V372-E376 HydrophobicContact CG1-CB 3.61Å; P373-E376 PolarHBondContact O-N 2.84Å | ||
| 377 | R | 88.7 | Confident | 86.4 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -116.6 | 9.5 | 177.6 | -66.5 | -71.9 | 176.7 | -77.8 | -0.8 | 112.5 | W339 Y352 A374 | W339-R377 PolarHBondContact N-O 2.93Å; Y352-R377 VanDerWaalsContact CE2-NH1 3.28Å; A374-R377 PolarHBondContact O-NH1 3.44Å; A374-R377 PolarHBondContact O-NH2 2.86Å |
| 378 | S | 88.6 | Confident | 86.4 | Confident | 45 Ų | 45 | 73.3 Ų | 73.3 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 145.5 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 110.1 | F336 L337 | F336-S378 VanDerWaalsContact CZ-CB 3.45Å; L337-S378 CarbonylContact O-C 3.59Å; L337-S378 WeakPolarHBondContact O-CA 3.42Å; L337-S378 WeakPolarHBondContact O-CB 3.42Å |
| 379 | S | 90.7 | Very high | 86.2 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 8% | 0.077 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 147.8 | 173.5 | -164.3 | 0 | 0 | 0 | 0 | 111 | L337 K370 | L337-S379 PolarHBondContact N-O 3.23Å; L337-S379 PolarHBondContact O-N 2.93Å; K370-S379 WeakPolarHBondContact CE-OG 2.93Å; K370-S379 PolarHBondContact NZ-OG 3.02Å |
| 380 | L | 90.3 | Very high | 86 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121 | 175.3 | -173.4 | 70.8 | 0 | 0 | 0 | 110 | I330 F336 K370 T382 | I330-L380 HydrophobicContact CD1-CD1 3.81Å; I330-L380 HydrophobicContact CG1-CD1 4.46Å; F336-L380 HydrophobicContact CB-CD1 4.31Å; F336-L380 HydrophobicContact CD2-CD1 4.45Å; K370-L380 PolarHBondContact NZ-O 2.84Å; L380-T382 HydrophobicContact CD2-CG2 3.92Å; L380-T382 HydrophobicContact CG-CG2 4.08Å |
| 381 | V | 88.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.8 | 170.3 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | S334 V335 L337 Y356 K370 L384 F392 | S334-V381 VanDerWaalsContact CA-O 3.31Å; S334-V381 WeakPolarHBondContact CA-O 3.26Å; V335-V381 PolarHBondContact N-O 3.02Å; V335-V381 PolarHBondContact O-N 3.34Å; L337-V381 HydrophobicContact CD1-CB 4.38Å; L337-V381 HydrophobicContact CD1-CG2 3.7Å; Y356-V381 HydrophobicContact CD1-CG1 4.27Å; Y356-V381 HydrophobicContact CD2-CG1 4.18Å; Y356-V381 HydrophobicContact CE1-CG1 3.95Å; Y356-V381 HydrophobicContact CE2-CG1 3.82Å; Y356-V381 HydrophobicContact CG-CG1 4.4Å; K370-V381 HydrophobicContact CD-CG2 4.35Å; V381-L384 HydrophobicContact CG1-CD1 4.22Å; V381-L384 HydrophobicContact CG1-CD2 4Å; V381-L384 HydrophobicContact CG1-CG 4.22Å; V381-F392 HydrophobicContact CG2-CE1 4.48Å |
| 382 | T | 88.5 | Confident | 85.4 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | trans | -108.4 | 173.6 | -179.1 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | L380 L384 | L380-T382 HydrophobicContact CD2-CG2 3.92Å; L380-T382 HydrophobicContact CG-CG2 4.08Å; T382-L384 VanDerWaalsContact C-N 3.34Å; T382-L384 PolarHBondContact O-N 2.76Å | ||
| 383 | D | 84.6 | Confident | 84.9 | Confident | 138 Ų | 138 | 58.5 Ų | 58.5 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | trans | 65.6 | 31.1 | 173.4 | -50.7 | -58.5 | 0 | 0 | 0 | 114.6 | K333 | K333-D383 PolarHBondContact O-N 3.06Š| ||
| 384 | L | 83.7 | Confident | 84.6 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -82.6 | 135.3 | 174.7 | -58.6 | 168.7 | 0 | 0 | 0 | 110.4 | K333 V335 Y356 V381 T382 P387 Y390 F392 | K333-L384 WeakPolarHBondContact CA-O 3.37Å; K333-L384 WeakPolarHBondContact CB-O 3.35Å; K333-L384 WeakPolarHBondContact CG-O 3.32Å; K333-L384 WeakPolarHBondContact O-CB 3.27Å; K333-L384 PolarHBondContact O-N 2.95Å; V335-L384 HydrophobicContact CB-CD1 3.88Å; V335-L384 HydrophobicContact CG2-CD1 3.44Å; V335-L384 VanDerWaalsContact CG2-CD1 3.44Å; Y356-L384 HydrophobicContact CD2-CD2 3.83Å; Y356-L384 HydrophobicContact CE2-CD2 3.87Å; V381-L384 HydrophobicContact CG1-CD1 4.22Å; V381-L384 HydrophobicContact CG1-CD2 4Å; V381-L384 HydrophobicContact CG1-CG 4.22Å; T382-L384 VanDerWaalsContact C-N 3.34Å; T382-L384 PolarHBondContact O-N 2.76Å; L384-P387 HydrophobicContact CB-CG 4.44Å; L384-Y390 HydrophobicContact CB-CE2 4.2Å; L384-Y390 HydrophobicContact CD2-CD1 3.81Å; L384-Y390 HydrophobicContact CD2-CD2 4.08Å; L384-Y390 HydrophobicContact CD2-CE1 3.68Å; L384-Y390 HydrophobicContact CD2-CE2 3.99Å; L384-Y390 HydrophobicContact CD2-CG 4.01Å; L384-F392 HydrophobicContact CD1-CZ 4.17Å | ||
| 385 | E | 79.7 | Confident | 84.4 | Confident | 149 Ų | 149 | 54.2 Ų | 54.2 | 70% | 0.696 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -68.7 | -49.6 | 177.9 | -66.1 | 174.5 | 157.3 | 0 | 0 | 111.9 | N358 | N358-E385 PolarHBondContact ND2-OE2 3.08Å; N358-E385 VanDerWaalsContact ND2-OE2 3.08Å |
| 386 | N | 80.2 | Confident | 84.2 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | trans | -143.9 | 108.4 | 169.3 | 179.4 | 14.5 | 0 | 0 | 0 | 109.2 | E388 D389 Y390 | N386-E388 PolarHBondContact O-N 2.95Å; N386-E388 PolarHBondContact OD1-N 2.61Å; N386-D389 WeakPolarHBondContact CB-OD2 3.41Å; N386-D389 VanDerWaalsContact ND2-CG 3.34Å; N386-D389 PolarHBondContact ND2-OD2 3.22Å; N386-D389 PolarHBondContact O-N 3.01Å; N386-D389 VanDerWaalsContact O-N 3.15Å; N386-Y390 WeakPolarHBondContact O-CD2 3.47Å | ||
| 387 | P | 80 | Confident | 83.8 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -50.4 | -31.6 | -178.8 | -32.4 | 37.8 | 0 | 0 | 0 | 115.8 | S332 V335 L384 D389 I411 | S332-P387 WeakPolarHBondContact O-CD 3.5Å; V335-P387 HydrophobicContact CG2-CB 3.63Å; V335-P387 HydrophobicContact CG2-CG 4.21Å; L384-P387 HydrophobicContact CB-CG 4.44Å; P387-D389 VanDerWaalsContact C-N 3.33Å; P387-D389 PolarHBondContact O-N 3.48Å; P387-I411 HydrophobicContact CB-CD1 3.93Å |
| 388 | E | 79 | Confident | 83 | Confident | 113 Ų | 113 | 38 Ų | 38 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -74.7 | -22.2 | -175.1 | -63.9 | -172.5 | 170.8 | 0 | 0 | 113.8 | N386 | N386-E388 PolarHBondContact O-N 2.95Å; N386-E388 PolarHBondContact OD1-N 2.61Å |
| 389 | D | 80 | Confident | 82.1 | Confident | 79 Ų | 79 | 44 Ų | 44 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -87.5 | -5.2 | -178.8 | -66.8 | -35 | 0 | 0 | 0 | 113.1 | N358 N386 P387 | N358-D389 WeakPolarHBondContact CA-O 3.31Å; N358-D389 HydrophobicContact CB-CB 4.38Å; N386-D389 WeakPolarHBondContact CB-OD2 3.41Å; N386-D389 VanDerWaalsContact ND2-CG 3.34Å; N386-D389 PolarHBondContact ND2-OD2 3.22Å; N386-D389 PolarHBondContact O-N 3.01Å; N386-D389 VanDerWaalsContact O-N 3.15Å; P387-D389 VanDerWaalsContact C-N 3.33Å; P387-D389 PolarHBondContact O-N 3.48Å |
| 390 | Y | 83.1 | Confident | 80.5 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | trans | -91.8 | 137.4 | -177.3 | -77.1 | -101.8 | 0 | 0 | 0 | 112.3 | Y356 N358 L384 N386 | Y356-Y390 AromaticContact CD2-CD1 3.84Å; Y356-Y390 HydrophobicContact CD2-CD1 3.84Å; Y356-Y390 AromaticContact CD2-CE1 3.96Å; Y356-Y390 HydrophobicContact CD2-CE1 3.96Å; N358-Y390 HydrophobicContact CB-CD1 4.04Å; N358-Y390 HydrophobicContact CB-CD2 3.89Å; N358-Y390 HydrophobicContact CB-CE1 3.88Å; N358-Y390 HydrophobicContact CB-CE2 3.71Å; N358-Y390 HydrophobicContact CB-CG 4.05Å; N358-Y390 VanDerWaalsContact CG-CZ 3.44Å; N358-Y390 PolarHBondContact ND2-OH 3.29Å; L384-Y390 HydrophobicContact CB-CE2 4.2Å; L384-Y390 HydrophobicContact CD2-CD1 3.81Å; L384-Y390 HydrophobicContact CD2-CD2 4.08Å; L384-Y390 HydrophobicContact CD2-CE1 3.68Å; L384-Y390 HydrophobicContact CD2-CE2 3.99Å; L384-Y390 HydrophobicContact CD2-CG 4.01Å; N386-Y390 WeakPolarHBondContact O-CD2 3.47Å | ||
| 391 | Y | 83.4 | Confident | 79.1 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.7 | 163.5 | -75.1 | -82.5 | 0 | 0 | 0 | 110.4 | Y356 S357 L360 P408 C410 P415 V417 P419 | Y356-Y391 WeakPolarHBondContact CA-O 3.25Å; S357-Y391 PolarHBondContact N-O 2.65Å; S357-Y391 VanDerWaalsContact N-O 3.16Å; S357-Y391 PolarHBondContact O-N 3.25Å; L360-Y391 HydrophobicContact CD1-CD2 3.53Å; L360-Y391 HydrophobicContact CD1-CE2 4.03Å; L360-Y391 HydrophobicContact CD1-CG 4.43Å; L360-Y391 HydrophobicContact CD2-CD2 4.13Å; L360-Y391 HydrophobicContact CD2-CE2 3.89Å; Y391-P408 HydrophobicContact CD1-CB 4.01Å; Y391-C410 HydrophobicContact CD1-CB 4.03Å; Y391-C410 HydrophobicContact CE1-CB 3.88Å; Y391-P415 VanDerWaalsContact OH-CB 3.22Å; Y391-P415 WeakPolarHBondContact OH-CB 3.43Å; Y391-P415 WeakPolarHBondContact OH-CG 3.39Å; Y391-V417 WeakPolarHBondContact CE2-O 3.45Å; Y391-V417 PolarHBondContact OH-O 3.21Å; Y391-P419 HydrophobicContact CD1-CG 4.26Å; Y391-P419 HydrophobicContact CE1-CG 3.66Å; Y391-P419 HydrophobicContact CE2-CG 4.47Å; Y391-P419 WeakPolarHBondContact OH-CD 3.18Å |
| 392 | F | 85.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.5 | 178.6 | -61.3 | -95.1 | 0 | 0 | 0 | 110.8 | I327 V335 L337 I354 Y355 Y356 V381 L384 P408 I409 | I327-F392 HydrophobicContact CD1-CB 3.59Å; I327-F392 HydrophobicContact CD1-CD2 3.63Å; I327-F392 HydrophobicContact CD1-CG 3.74Å; V335-F392 HydrophobicContact CB-CZ 4.27Å; V335-F392 HydrophobicContact CG1-CE2 4.47Å; V335-F392 HydrophobicContact CG1-CZ 4.14Å; V335-F392 HydrophobicContact CG2-CZ 4.36Å; L337-F392 HydrophobicContact CD1-CD1 3.99Å; L337-F392 HydrophobicContact CD1-CE1 4Å; L337-F392 HydrophobicContact CD2-CB 4.09Å; L337-F392 HydrophobicContact CD2-CD1 3.89Å; L337-F392 HydrophobicContact CD2-CG 4.15Å; I354-F392 HydrophobicContact CG2-CD1 4.4Å; Y355-F392 CarbonylContact O-C 3.49Å; Y355-F392 WeakPolarHBondContact O-CA 3.31Å; Y356-F392 HydrophobicContact CG-CD1 4.35Å; Y356-F392 HydrophobicContact CG-CE1 4.1Å; V381-F392 HydrophobicContact CG2-CE1 4.48Å; L384-F392 HydrophobicContact CD1-CZ 4.17Å; F392-P408 WeakPolarHBondContact O-CA 3.5Å; F392-I409 PolarHBondContact N-O 3.3Å; F392-I409 PolarHBondContact O-N 2.87Å |
| 393 | C | 80.1 | Confident | 77.2 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 149.9 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 109.5 | Y355 W367 L405 P408 | Y355-C393 PolarHBondContact N-O 2.95Å; Y355-C393 PolarHBondContact O-N 3.33Å; W367-C393 HydrophobicContact CZ3-CB 4.2Å; C393-L405 HydrophobicContact CB-CB 4.49Å; C393-L405 HydrophobicContact CB-CD2 4.06Å; C393-P408 WeakPolarHBondContact SG-CA 3.48Å |
| 394 | M | 83.3 | Confident | 76.3 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.8 | 179.5 | -62.2 | -168.2 | 66.8 | 0 | 0 | 112.4 | P322 I325 L337 W339 A353 I354 L405 S406 | P322-M394 HydrophobicContact CG-CB 4.11Å; I325-M394 HydrophobicContact CD1-CB 3.89Å; I325-M394 HydrophobicContact CD1-CG 4.03Å; I325-M394 HydrophobicContact CD1-SD 4.03Å; I325-M394 HydrophobicContact CG1-SD 3.94Å; I325-M394 HydrophobicContact CG2-CG 4.45Å; I325-M394 HydrophobicContact CG2-SD 3.78Å; L337-M394 HydrophobicContact CD2-SD 4.46Å; W339-M394 HydrophobicContact CB-CE 4.35Å; W339-M394 HydrophobicContact CB-SD 4.13Å; W339-M394 HydrophobicContact CD2-CE 3.2Å; W339-M394 HydrophobicContact CD2-SD 3.88Å; W339-M394 VanDerWaalsContact CE2-CE 3.49Å; W339-M394 HydrophobicContact CE3-CE 3.35Å; W339-M394 HydrophobicContact CE3-SD 3.7Å; W339-M394 HydrophobicContact CG-CE 3.67Å; W339-M394 HydrophobicContact CG-SD 4.08Å; W339-M394 HydrophobicContact CH2-CE 4.02Å; W339-M394 HydrophobicContact CZ2-CE 3.9Å; W339-M394 HydrophobicContact CZ3-CE 3.75Å; W339-M394 HydrophobicContact CZ3-SD 4.39Å; A353-M394 WeakPolarHBondContact O-CA 3.47Å; I354-M394 HydrophobicContact CD1-CE 4.44Å; I354-M394 HydrophobicContact CG1-CE 3.71Å; I354-M394 HydrophobicContact CG1-CG 4.42Å; I354-M394 HydrophobicContact CG1-SD 4.45Å; M394-L405 CarbonylContact O-C 3.58Å; M394-L405 WeakPolarHBondContact O-CA 3.31Å; M394-S406 PolarHBondContact N-OG 3Å; M394-S406 PolarHBondContact O-N 2.91Å |
| 395 | S | 81 | Confident | 75.6 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.7 | 172.1 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | A353 S403 | A353-S395 PolarHBondContact N-O 2.84Å; A353-S395 PolarHBondContact O-N 2.92Å; S395-S403 PolarHBondContact OG-N 3.26Å; S395-S403 PolarHBondContact OG-O 3.24Å; S395-S403 PolarHBondContact OG-OG 2.78Å |
| 396 | S | 81.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 126.7 | 169.9 | -68.8 | 0 | 0 | 0 | 0 | 109.7 | P342 H402 S403 | P342-S396 VanDerWaalsContact CG-OG 3.25Å; P342-S396 WeakPolarHBondContact CG-OG 3.32Å; S396-H402 CarbonylContact O-C 3.54Å; S396-H402 WeakPolarHBondContact O-CA 3.16Å; S396-S403 PolarHBondContact N-OG 3.15Å; S396-S403 PolarHBondContact O-N 3.17Å |
| 397 | V | 78.7 | Confident | 74.7 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.3 | 178.8 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | K350 A351 A353 | K350-V397 PolarHBondContact N-O 2.85Å; A351-V397 HydrophobicContact CB-CB 4.09Å; A351-V397 HydrophobicContact CB-CG2 4.34Å; A351-V397 PolarHBondContact N-O 2.82Å; A351-V397 WeakPolarHBondContact O-CA 3.28Å; A351-V397 VanDerWaalsContact O-CB 3.31Å; A351-V397 WeakPolarHBondContact O-CB 3.48Å; A351-V397 PolarHBondContact O-N 2.77Å; A353-V397 HydrophobicContact CB-CG2 3.81Å |
| 398 | Y | 73.6 | Confident | 74.4 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -104 | 174.7 | 173.3 | -57.7 | -82.4 | 0 | 0 | 0 | 109.8 | E319 N347 V349 T400 Y401 | E319-Y398 HydrophobicContact CB-CE2 4.37Å; N347-Y398 HydrophobicContact CB-CD1 3.7Å; N347-Y398 HydrophobicContact CB-CE1 4.02Å; N347-Y398 WeakPolarHBondContact O-CE1 3.26Å; V349-Y398 HydrophobicContact CB-CE1 4.47Å; V349-Y398 HydrophobicContact CG2-CD1 4.49Å; V349-Y398 HydrophobicContact CG2-CE1 3.72Å; Y398-T400 PolarHBondContact O-N 2.9Å; Y398-Y401 WeakPolarHBondContact CA-O 3.44Å; Y398-Y401 WeakPolarHBondContact CB-O 3.34Å; Y398-Y401 AromaticContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CE1 4.19Å; Y398-Y401 AromaticContact CD2-CE2 3.32Å; Y398-Y401 HydrophobicContact CD2-CE2 3.32Å; Y398-Y401 AromaticContact CD2-CZ 3.41Å; Y398-Y401 VanDerWaalsContact CD2-CZ 3.41Å; Y398-Y401 WeakPolarHBondContact CD2-OH 3.47Å; Y398-Y401 AromaticContact CE2-CE2 3.73Å; Y398-Y401 HydrophobicContact CE2-CE2 3.73Å; Y398-Y401 AromaticContact CE2-CZ 3.93Å; Y398-Y401 HydrophobicContact CG-CE1 4.19Å; Y398-Y401 HydrophobicContact CG-CE2 4.13Å; Y398-Y401 AromaticContact CG-CZ 3.75Å; Y398-Y401 PolarHBondContact N-O 2.97Å | ||
| 399 | E | 67.9 | Low | 74.3 | Confident | 171 Ų | 171 | 46.8 Ų | 46.8 | 80% | 0.799 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -61.2 | -30.1 | -178.2 | -173.6 | 160.7 | -154.2 | 0 | 0 | 113.6 | ||
| 400 | T | 57.8 | Low | 74.2 | Confident | 123 Ų | 123 | 44.7 Ų | 44.7 | 76% | 0.755 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -117.7 | -16.3 | -172.9 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | Y398 | Y398-T400 PolarHBondContact O-N 2.9Š|
| 401 | Y | 61.2 | Low | 74 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | trans | -159.7 | 169.9 | -175.5 | 67.2 | -82.6 | 0 | 0 | 0 | 112.5 | S290 N347 Y398 | S290-Y401 PolarHBondContact OG-OH 2.83Å; N347-Y401 PolarHBondContact ND2-OH 2.83Å; Y398-Y401 WeakPolarHBondContact CA-O 3.44Å; Y398-Y401 WeakPolarHBondContact CB-O 3.34Å; Y398-Y401 AromaticContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CE1 4.19Å; Y398-Y401 AromaticContact CD2-CE2 3.32Å; Y398-Y401 HydrophobicContact CD2-CE2 3.32Å; Y398-Y401 AromaticContact CD2-CZ 3.41Å; Y398-Y401 VanDerWaalsContact CD2-CZ 3.41Å; Y398-Y401 WeakPolarHBondContact CD2-OH 3.47Å; Y398-Y401 AromaticContact CE2-CE2 3.73Å; Y398-Y401 HydrophobicContact CE2-CE2 3.73Å; Y398-Y401 AromaticContact CE2-CZ 3.93Å; Y398-Y401 HydrophobicContact CG-CE1 4.19Å; Y398-Y401 HydrophobicContact CG-CE2 4.13Å; Y398-Y401 AromaticContact CG-CZ 3.75Å; Y398-Y401 PolarHBondContact N-O 2.97Å | ||
| 402 | H | 66.8 | Low | 73.5 | Confident | 103 Ų | 103 | 47.2 Ų | 47.2 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -104.8 | 141.4 | 171.3 | -72.2 | -114 | 0 | 0 | 0 | 110.2 | S396 | S396-H402 CarbonylContact O-C 3.54Å; S396-H402 WeakPolarHBondContact O-CA 3.16Å |
| 403 | S | 69.2 | Low | 72.5 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 162.3 | 171.1 | 78.9 | 0 | 0 | 0 | 0 | 110.8 | S395 S396 | S395-S403 PolarHBondContact OG-N 3.26Å; S395-S403 PolarHBondContact OG-O 3.24Å; S395-S403 PolarHBondContact OG-OG 2.78Å; S396-S403 PolarHBondContact N-OG 3.15Å; S396-S403 PolarHBondContact O-N 3.17Å |
| 404 | P | 66.6 | Low | 71.6 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 38% | 0.377 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 149.6 | 163.7 | -23.3 | 34.3 | 0 | 0 | 0 | 111.1 | P318 E319 S321 | P318-P404 HydrophobicContact CB-CG 3.79Å; P318-P404 HydrophobicContact CG-CG 3.97Å; E319-P404 VanDerWaalsContact O-CD 3.26Å; E319-P404 WeakPolarHBondContact O-CD 2.87Å; S321-P404 VanDerWaalsContact CB-O 3.27Å; S321-P404 WeakPolarHBondContact CB-O 3.4Å |
| 405 | L | 69.3 | Low | 70.5 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 143.5 | 173.8 | -71.1 | 164.3 | 0 | 0 | 0 | 109.8 | Y355 F364 C393 M394 | Y355-L405 HydrophobicContact CD2-CD2 3.47Å; Y355-L405 VanDerWaalsContact CD2-CD2 3.47Å; Y355-L405 HydrophobicContact CE2-CD2 3.68Å; Y355-L405 HydrophobicContact CG-CD2 4.22Å; F364-L405 HydrophobicContact CB-CD1 4.22Å; F364-L405 HydrophobicContact CD2-CD1 4.27Å; F364-L405 HydrophobicContact CG-CD1 4.32Å; C393-L405 HydrophobicContact CB-CB 4.49Å; C393-L405 HydrophobicContact CB-CD2 4.06Å; M394-L405 CarbonylContact O-C 3.58Å; M394-L405 WeakPolarHBondContact O-CA 3.31Å |
| 406 | S | 71.3 | Confident | 69.3 | Low | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.049 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 163.4 | 166.5 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | I325 M394 | I325-S406 WeakPolarHBondContact CD1-OG 3.36Å; M394-S406 PolarHBondContact N-OG 3Å; M394-S406 PolarHBondContact O-N 2.91Å |
| 407 | K | 69.9 | Low | 68.1 | Low | 173 Ų | 173 | 73.7 Ų | 73.7 | 75% | 0.752 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 144.3 | 165.7 | -65.2 | -175.4 | 179.7 | -177 | 0 | 109.6 | I409 | K407-I409 PolarHBondContact O-N 2.93Š|
| 408 | P | 73.4 | Confident | 67.1 | Low | 50 Ų | 50 | 81.2 Ų | 81.2 | 33% | 0.325 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 130.9 | 173.6 | 26.4 | -32.8 | 0 | 0 | 0 | 110 | Y391 F392 C393 P419 | Y391-P408 HydrophobicContact CD1-CB 4.01Å; F392-P408 WeakPolarHBondContact O-CA 3.5Å; C393-P408 WeakPolarHBondContact SG-CA 3.48Å; P408-P419 HydrophobicContact CG-CG 4.45Å |
| 409 | I | 77.7 | Confident | 65.9 | Low | 52 Ų | 52 | 83.7 Ų | 83.7 | 27% | 0.267 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -118.7 | 137.7 | 178.9 | -57.9 | 167 | 0 | 0 | 0 | 108 | I325 I327 F392 K407 | I325-I409 HydrophobicContact CB-CD1 3.6Å; I325-I409 HydrophobicContact CD1-CD1 4.34Å; I325-I409 HydrophobicContact CG2-CD1 3.66Å; I327-I409 HydrophobicContact CD1-CB 3.81Å; I327-I409 HydrophobicContact CD1-CG2 3.55Å; I327-I409 HydrophobicContact CG1-CG2 4.01Å; F392-I409 PolarHBondContact N-O 3.3Å; F392-I409 PolarHBondContact O-N 2.87Å; K407-I409 PolarHBondContact O-N 2.93Å |
| 410 | C | 78 | Confident | 64.8 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | trans | -122.3 | 162.7 | 173.5 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | Y391 S412 | Y391-C410 HydrophobicContact CD1-CB 4.03Å; Y391-C410 HydrophobicContact CE1-CB 3.88Å; C410-S412 PolarHBondContact SG-O 3.43Å | ||
| 411 | I | 78.8 | Confident | 64 | Low | 39 Ų | 39 | 82.3 Ų | 82.3 | 20% | 0.2 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -78.8 | -39.8 | 177.2 | -60.4 | 176.1 | 0 | 0 | 0 | 110.8 | I327 P329 V335 P387 | I327-I411 HydrophobicContact CG2-CD1 4.03Å; I327-I411 HydrophobicContact CG2-CG1 3.65Å; P329-I411 HydrophobicContact CB-CD1 4.38Å; P329-I411 HydrophobicContact CG-CG2 4.23Å; V335-I411 HydrophobicContact CB-CD1 4.45Å; V335-I411 HydrophobicContact CG1-CD1 3.97Å; V335-I411 HydrophobicContact CG2-CD1 3.53Å; P387-I411 HydrophobicContact CB-CD1 3.93Å |
| 412 | S | 72.3 | Confident | 62.9 | Low | 34 Ų | 34 | 87.6 Ų | 87.6 | 24% | 0.238 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -73.4 | 132.9 | 179 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | C410 N414 | C410-S412 PolarHBondContact SG-O 3.43Å; S412-N414 PolarHBondContact O-N 2.87Å; S412-N414 VanDerWaalsContact OG-C 3.3Å; S412-N414 PolarHBondContact OG-N 2.81Å; S412-N414 PolarHBondContact OG-O 3.46Å |
| 413 | E | 63.8 | Low | 61.1 | Low | 190 Ų | 190 | 88.2 Ų | 88.2 | 89% | 0.888 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -66.5 | -23.8 | 172.6 | -66.2 | -175.4 | 168.9 | 0 | 0 | 112 | ||
| 414 | N | 61.3 | Low | 59.1 | Low | 141 Ų | 141 | 94.7 Ų | 94.7 | 75% | 0.754 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -131.6 | 81 | 177.9 | -76.2 | -41.8 | 0 | 0 | 0 | 110.5 | S412 S416 | S412-N414 PolarHBondContact O-N 2.87Å; S412-N414 VanDerWaalsContact OG-C 3.3Å; S412-N414 PolarHBondContact OG-N 2.81Å; S412-N414 PolarHBondContact OG-O 3.46Å; N414-S416 PolarHBondContact O-N 3.14Å |
| 415 | P | 60.6 | Low | 57.2 | Low | 39 Ų | 39 | 99.9 Ų | 99.9 | 25% | 0.253 | 52% | 0.522 | S | S | . | . | trans | -67.4 | 135.2 | 178.6 | 26.9 | -33.5 | 0 | 0 | 0 | 111.4 | Y391 V417 | Y391-P415 VanDerWaalsContact OH-CB 3.22Å; Y391-P415 WeakPolarHBondContact OH-CB 3.43Å; Y391-P415 WeakPolarHBondContact OH-CG 3.39Å; P415-V417 PolarHBondContact O-N 3.46Å | ||
| 416 | S | 56.8 | Low | 55.1 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 81% | 0.811 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -60.4 | -25.3 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | N414 | N414-S416 PolarHBondContact O-N 3.14Š|
| 417 | V | 55.3 | Low | 53 | Low | 83 Ų | 83 | 108 Ų | 108 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -122.8 | 111.2 | -178.7 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | L360 Y391 P415 | L360-V417 HydrophobicContact CB-CG1 3.99Å; L360-V417 HydrophobicContact CD2-CG1 4.15Å; Y391-V417 WeakPolarHBondContact CE2-O 3.45Å; Y391-V417 PolarHBondContact OH-O 3.21Å; P415-V417 PolarHBondContact O-N 3.46Å |
| 418 | K | 56.9 | Low | 51 | Low | 179 Ų | 179 | 106.1 Ų | 106.1 | 78% | 0.778 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 138.8 | 176 | -65.7 | -178 | -179.2 | 179.4 | 0 | 110 | G420 | K418-G420 PolarHBondContact O-N 3.16Å; K418-G420 VanDerWaalsContact O-N 3.14Å |
| 419 | P | 48.7 | Very low | 49 | Very low | 60 Ų | 60 | 106.5 Ų | 106.5 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 122 | 167.7 | -9.3 | 25.2 | 0 | 0 | 0 | 107.8 | L360 Y391 P408 | L360-P419 HydrophobicContact CD2-CB 4.08Å; L360-P419 HydrophobicContact CD2-CG 4.42Å; Y391-P419 HydrophobicContact CD1-CG 4.26Å; Y391-P419 HydrophobicContact CE1-CG 3.66Å; Y391-P419 HydrophobicContact CE2-CG 4.47Å; Y391-P419 WeakPolarHBondContact OH-CD 3.18Å; P408-P419 HydrophobicContact CG-CG 4.45Å |
| 420 | G | 45.3 | Very low | 46.5 | Very low | 44 Ų | 44 | 109.9 Ų | 109.9 | 45% | 0.454 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 173.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | K418 Y422 | K418-G420 PolarHBondContact O-N 3.16Å; K418-G420 VanDerWaalsContact O-N 3.14Å; G420-Y422 VanDerWaalsContact C-N 3.26Å; G420-Y422 PolarHBondContact O-N 2.9Å |
| 421 | K | 40 | Very low | 44.3 | Very low | 220 Ų | 220 | 112.9 Ų | 112.9 | 96% | 0.957 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -57.6 | 84.2 | 177.8 | -76.5 | -177.6 | 175.1 | -179.5 | 0 | 111.7 | ||
| 422 | Y | 39 | Very low | 41.8 | Very low | 160 Ų | 160 | 117.3 Ų | 117.3 | 63% | 0.627 | 65% | 0.65 | S | S | * | * | trans | -139.1 | 78.6 | 172.7 | -70.5 | -78.2 | 0 | 0 | 0 | 107.2 | P361 G420 | P361-Y422 HydrophobicContact CB-CE2 4.41Å; G420-Y422 VanDerWaalsContact C-N 3.26Å; G420-Y422 PolarHBondContact O-N 2.9Å | ||
| 423 | L | 29.4 | Very low | 39.8 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 60% | 0.602 | 66% | 0.657 | S | S | * | * | trans | 161.3 | 99.4 | 151.4 | -112.3 | 69.6 | 0 | 0 | 0 | 108.2 | ||||
| 424 | D | 25.9 | Very low | 38 | Very low | 142 Ų | 142 | 116 Ų | 116 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | trans | -144.5 | 73.4 | 151.7 | -128 | -1.3 | 0 | 0 | 0 | 107.5 | ||||
| 425 | I | 28 | Very low | 36.8 | Very low | 168 Ų | 168 | 112.3 Ų | 112.3 | 86% | 0.862 | 63% | 0.625 | S | S | * | * | trans | -131.7 | 70.7 | 166.5 | -50.5 | 170.2 | 0 | 0 | 0 | 106.7 | ||||
| 426 | A | 25.7 | Very low | 35.1 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | trans | -168 | 82.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 427 | L | 26.4 | Very low | 34 | Very low | 142 Ų | 142 | 119.3 Ų | 119.3 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | trans | -130.1 | 103.9 | 169.9 | -75.8 | 169.2 | 0 | 0 | 0 | 112 | ||||
| 428 | T | 27.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | trans | 82.1 | 138.6 | 143.7 | 64.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 429 | S | 31.3 | Very low | 31.8 | Very low | 58 Ų | 58 | 115.4 Ų | 115.4 | 41% | 0.406 | 64% | 0.642 | S | S | . | * | trans | -147 | 77.2 | -150.8 | 37.7 | 0 | 0 | 0 | 0 | 112.7 | E317 | E317-S429 VanDerWaalsContact OE1-C 3.3Å; E317-S429 WeakPolarHBondContact OE1-CA 3.42Å; E317-S429 WeakPolarHBondContact OE1-CB 3.31Å; E317-S429 WeakPolarHBondContact OE2-CB 3.5Å | ||
| 430 | V | 26 | Very low | 31.2 | Very low | 123 Ų | 123 | 117.9 Ų | 117.9 | 75% | 0.745 | 66% | 0.658 | S | S | * | * | trans | -150.5 | 118.4 | 159.7 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | I432 | V430-I432 HydrophobicContact CG1-CD1 3.85Å; V430-I432 HydrophobicContact CG1-CG1 3.64Å | ||
| 431 | C | 31.6 | Very low | 30.7 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | trans | -120.2 | 100.2 | 157.7 | -168.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 432 | I | 26.6 | Very low | 30.8 | Very low | 132 Ų | 132 | 116 Ų | 116 | 68% | 0.677 | 67% | 0.665 | S | S | * | * | trans | -91.6 | 113.1 | 166.2 | -62.1 | 165.9 | 0 | 0 | 0 | 105.6 | V430 V434 | V430-I432 HydrophobicContact CG1-CD1 3.85Å; V430-I432 HydrophobicContact CG1-CG1 3.64Å; I432-V434 HydrophobicContact CG2-CG2 3.59Å; I432-V434 PolarHBondContact O-N 2.83Å; I432-V434 VanDerWaalsContact O-N 3.14Å | ||
| 433 | I | 30.1 | Very low | 30.6 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 40% | 0.4 | 66% | 0.659 | S | S | . | * | trans | -82 | 90.6 | 171.7 | -59.5 | 165.9 | 0 | 0 | 0 | 107 | L312 V314 | L312-I433 HydrophobicContact CD1-CD1 3.81Å; L312-I433 HydrophobicContact CD1-CG1 4.44Å; L312-I433 HydrophobicContact CD1-CG2 4.19Å; V314-I433 HydrophobicContact CG2-CD1 4.29Å | ||
| 434 | V | 24.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 72% | 0.715 | 67% | 0.671 | S | S | * | * | trans | -87.4 | 120.9 | 162.1 | -172.9 | 0 | 0 | 0 | 0 | 106.7 | I432 | I432-V434 HydrophobicContact CG2-CG2 3.59Å; I432-V434 PolarHBondContact O-N 2.83Å; I432-V434 VanDerWaalsContact O-N 3.14Å | ||
| 435 | Y | 35.8 | Very low | 31.6 | Very low | 63 Ų | 63 | 109.2 Ų | 109.2 | 25% | 0.247 | 66% | 0.658 | C | S | . | * | trans | -113.3 | 135.3 | 165.3 | 66.5 | -90.5 | 0 | 0 | 0 | 109.9 | Q280 N281 | Q280-Y435 PolarHBondContact O-OH 3.4Å; N281-Y435 VanDerWaalsContact CA-OH 3.31Å; N281-Y435 WeakPolarHBondContact CA-OH 3.43Å; N281-Y435 WeakPolarHBondContact O-CE1 3.43Å; N281-Y435 PolarHBondContact O-OH 3.3Å | ||
| 436 | E | 26.8 | Very low | 32.1 | Very low | 182 Ų | 182 | 109.4 Ų | 109.4 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 132 | 178.4 | -163 | 168.5 | -172.3 | 0 | 0 | 109.4 | P438 | E436-P438 WeakPolarHBondContact O-CD 3.44Š|
| 437 | K | 31.9 | Very low | 32.7 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 52% | 0.522 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 122.1 | 173.9 | -178.5 | -178.1 | 179.6 | -179.1 | 0 | 107.4 | A439 | K437-A439 PolarHBondContact O-N 3.03Š|
| 438 | P | 33.8 | Very low | 33.6 | Very low | 92 Ų | 92 | 107.3 Ų | 107.3 | 60% | 0.597 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 132.1 | 174.9 | 20.7 | -29.2 | 0 | 0 | 0 | 109 | E436 | E436-P438 WeakPolarHBondContact O-CD 3.44Š|
| 439 | A | 32.8 | Very low | 34.4 | Very low | 88 Ų | 88 | 103.4 Ų | 103.4 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 134.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K437 S441 | K437-A439 PolarHBondContact O-N 3.03Å; A439-S441 PolarHBondContact O-N 3.47Å |
| 440 | P | 36 | Very low | 35.3 | Very low | 113 Ų | 113 | 105.6 Ų | 105.6 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | trans | -60.7 | 109.2 | 177.8 | 24.5 | -30.5 | 0 | 0 | 0 | 108.5 | S442 | P440-S442 PolarHBondContact O-N 3.01Š| ||
| 441 | S | 34.8 | Very low | 36.6 | Very low | 91 Ų | 91 | 100 Ų | 100 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | trans | -57.5 | 129.8 | 163 | 58.3 | 0 | 0 | 0 | 0 | 107.1 | A439 S443 | A439-S441 PolarHBondContact O-N 3.47Å; S441-S443 PolarHBondContact O-N 3.23Å | ||
| 442 | S | 41.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 102 Ų | 102 | 92% | 0.923 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -57.4 | 52.2 | -167 | 50.1 | 0 | 0 | 0 | 0 | 117 | P440 | P440-S442 PolarHBondContact O-N 3.01Š|
| 443 | S | 35.1 | Very low | 38.6 | Very low | 70 Ų | 70 | 96.6 Ų | 96.6 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | trans | -128 | 122.4 | 170.1 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | S441 C445 | S441-S443 PolarHBondContact O-N 3.23Å; S443-C445 VanDerWaalsContact C-N 3.28Å; S443-C445 PolarHBondContact O-N 3.24Å | ||
| 444 | P | 42.5 | Very low | 39.6 | Very low | 133 Ų | 133 | 93.2 Ų | 93.2 | 86% | 0.864 | 53% | 0.531 | S | S | * | . | trans | -77.6 | 85.8 | 175.2 | 33.3 | -29.4 | 0 | 0 | 0 | 107.3 | ||||
| 445 | C | 34.3 | Very low | 40.8 | Very low | 73 Ų | 73 | 88.9 Ų | 88.9 | 49% | 0.493 | 50% | 0.503 | S | S | . | . | trans | -128.7 | 120.7 | 165.9 | -73.1 | 0 | 0 | 0 | 0 | 106.3 | S443 H447 | S443-C445 VanDerWaalsContact C-N 3.28Å; S443-C445 PolarHBondContact O-N 3.24Å; C445-H447 WeakPolarHBondContact CB-NE2 3.42Å; C445-H447 PolarHBondContact O-N 2.67Å | ||
| 446 | D | 38 | Very low | 41.5 | Very low | 172 Ų | 172 | 86.7 Ų | 86.7 | 92% | 0.92 | 50% | 0.498 | S | S | * | . | trans | -61 | 62.6 | 174.8 | -82.2 | -37.5 | 0 | 0 | 0 | 111.8 | T448 | D446-T448 PolarHBondContact O-N 2.97Š| ||
| 447 | H | 39.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 82.8 Ų | 82.8 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | trans | -87.2 | 100.6 | 175.1 | -68.3 | -36.3 | 0 | 0 | 0 | 108 | L302 C445 L449 | L302-H447 HydrophobicContact CD1-CB 3.72Å; L302-H447 HydrophobicContact CG-CB 3.96Å; C445-H447 WeakPolarHBondContact CB-NE2 3.42Å; C445-H447 PolarHBondContact O-N 2.67Å; H447-L449 PolarHBondContact O-N 3.36Å; H447-L449 VanDerWaalsContact O-N 3.09Å | ||
| 448 | T | 44.6 | Very low | 43.3 | Very low | 80 Ų | 80 | 83 Ų | 83 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | trans | -56.3 | 115.2 | 172 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | D446 K450 | D446-T448 PolarHBondContact O-N 2.97Å; T448-K450 PolarHBondContact O-N 3.22Å | ||
| 449 | L | 44.8 | Very low | 43.5 | Very low | 53 Ų | 53 | 84.9 Ų | 84.9 | 28% | 0.277 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 123.6 | 169.6 | -83.8 | 153.6 | 0 | 0 | 0 | 108.7 | V300 L302 H447 | V300-L449 HydrophobicContact CG1-CD2 3.64Å; L302-L449 HydrophobicContact CB-CD2 4.48Å; L302-L449 HydrophobicContact CD1-CD2 3.84Å; L302-L449 HydrophobicContact CD1-CG 3.79Å; H447-L449 PolarHBondContact O-N 3.36Å; H447-L449 VanDerWaalsContact O-N 3.09Å |
| 450 | K | 49.9 | Very low | 43.5 | Very low | 103 Ų | 103 | 91.9 Ų | 91.9 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.9 | 172.2 | -68 | -177 | -177.6 | 179 | 0 | 108.3 | V277 S301 T448 | V277-K450 HydrophobicContact CG1-CB 4.49Å; S301-K450 PolarHBondContact N-O 3.17Å; S301-K450 PolarHBondContact O-N 2.98Å; S301-K450 PolarHBondContact OG-O 2.81Å; T448-K450 PolarHBondContact O-N 3.22Å |
| 451 | T | 52.9 | Low | 43.9 | Very low | 7 Ų | 7 | 90.9 Ų | 90.9 | 4% | 0.043 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.2 | 178.6 | -58.3 | 0 | 0 | 0 | 0 | 108.5 | V277 T278 L298 | V277-T451 WeakPolarHBondContact CA-O 3.49Å; T278-T451 PolarHBondContact N-O 3.15Å; T278-T451 PolarHBondContact O-N 3.49Å; L298-T451 HydrophobicContact CD1-CG2 3.29Å; L298-T451 HydrophobicContact CG-CG2 4.16Å |
| 452 | R | 49.8 | Very low | 44.3 | Very low | 139 Ų | 139 | 90.8 Ų | 90.8 | 53% | 0.525 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.4 | 174.6 | -174 | -178.5 | -72.3 | -161.3 | -3.3 | 108.6 | T275 L276 V277 T299 | T275-R452 HydrophobicContact CG2-CG 3.42Å; T275-R452 VanDerWaalsContact CG2-CG 3.42Å; L276-R452 CarbonylContact O-C 3.49Å; L276-R452 WeakPolarHBondContact O-CA 3.49Å; V277-R452 HydrophobicContact CG2-CG 4.33Å; T299-R452 PolarHBondContact N-O 3.06Å; T299-R452 PolarHBondContact O-N 3.08Å |
| 453 | L | 50.4 | Low | 44.5 | Very low | 19 Ų | 19 | 88.6 Ų | 88.6 | 10% | 0.099 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.2 | -179.6 | -138.9 | 136.5 | 0 | 0 | 0 | 107.5 | T275 L276 C283 L285 I296 L298 | T275-L453 CarbonylContact C-O 3.46Å; T275-L453 VanDerWaalsContact CA-O 3.28Å; T275-L453 WeakPolarHBondContact CA-O 3.14Å; L276-L453 HydrophobicContact CB-CB 4.34Å; L276-L453 PolarHBondContact N-O 3.14Å; L276-L453 PolarHBondContact O-N 3.42Å; C283-L453 HydrophobicContact CB-CD1 4.44Å; L285-L453 HydrophobicContact CD1-CD2 4.11Å; L285-L453 HydrophobicContact CD2-CD2 4.2Å; I296-L453 HydrophobicContact CG2-CD2 3.48Å; I296-L453 VanDerWaalsContact CG2-CD2 3.48Å; I296-L453 HydrophobicContact CG2-CG 4.07Å; L298-L453 HydrophobicContact CD1-CB 4.48Å; L298-L453 HydrophobicContact CD1-CD1 3.56Å; L298-L453 HydrophobicContact CD1-CG 3.86Å |
| 454 | G | 51.5 | Low | 45 | Very low | 7 Ų | 7 | 89.6 Ų | 89.6 | 7% | 0.072 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | M273 H274 I296 K297 | M273-G454 VanDerWaalsContact CE-C 3.42Å; M273-G454 VanDerWaalsContact CE-O 3.28Å; M273-G454 WeakPolarHBondContact CE-O 3.39Å; H274-G454 WeakPolarHBondContact O-CA 3.17Å; I296-G454 CarbonylContact C-O 3.56Å; I296-G454 WeakPolarHBondContact CA-O 3.2Å; K297-G454 PolarHBondContact N-O 2.57Å; K297-G454 PolarHBondContact O-N 2.83Å |
| 455 | L | 50 | Low | 45.2 | Very low | 26 Ų | 26 | 86.9 Ų | 86.9 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.8 | 179.3 | 179.7 | 82.8 | 0 | 0 | 0 | 110.1 | M273 H274 L285 L288 Y294 I296 | M273-L455 VanDerWaalsContact CA-O 3.3Å; M273-L455 WeakPolarHBondContact CA-O 3.38Å; H274-L455 HydrophobicContact CB-CB 4.45Å; H274-L455 PolarHBondContact N-O 3Å; H274-L455 VanDerWaalsContact N-O 3.12Å; H274-L455 PolarHBondContact O-N 2.77Å; L285-L455 HydrophobicContact CD1-CD1 4.27Å; L288-L455 HydrophobicContact CD2-CD1 4.04Å; L288-L455 HydrophobicContact CD2-CD2 3.58Å; L288-L455 HydrophobicContact CD2-CG 4.42Å; Y294-L455 HydrophobicContact CD1-CD1 3.88Å; Y294-L455 HydrophobicContact CD1-CD2 4.28Å; Y294-L455 HydrophobicContact CD1-CG 4.08Å; Y294-L455 HydrophobicContact CG-CD1 4.07Å; I296-L455 HydrophobicContact CD1-CD1 4.14Å; I296-L455 HydrophobicContact CG1-CD1 3.53Å |
| 456 | S | 51.1 | Low | 45.9 | Very low | 18 Ų | 18 | 87.9 Ų | 87.9 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.2 | 170.1 | 139.3 | 0 | 0 | 0 | 0 | 110.4 | M273 Y294 S295 | M273-S456 WeakPolarHBondContact SD-CB 3.22Å; Y294-S456 CarbonylContact C-O 3.55Å; Y294-S456 WeakPolarHBondContact CA-O 3.47Å; S295-S456 PolarHBondContact N-O 3.23Å; S295-S456 PolarHBondContact O-N 3.39Å |
| 457 | R | 49.6 | Very low | 46.5 | Very low | 100 Ų | 100 | 81.9 Ų | 81.9 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 137 | 168 | -169.1 | 178.2 | -172.1 | -179.7 | 7 | 109.2 | D270 T292 Y294 | D270-R457 HydrophobicContact CB-CB 4.25Å; D270-R457 PolarHBondContact O-N 3.2Å; T292-R457 HydrophobicContact CG2-CG 3.58Å; T292-R457 PolarHBondContact OG1-NH2 3.49Å; Y294-R457 HydrophobicContact CD1-CB 4.38Å; Y294-R457 HydrophobicContact CE1-CB 4.23Å; Y294-R457 HydrophobicContact CE1-CG 4.3Å |
| 458 | K | 46.2 | Very low | 47 | Very low | 125 Ų | 125 | 80.2 Ų | 80.2 | 54% | 0.543 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120 | 174.7 | -150.9 | 179.6 | -176.4 | -174.2 | 0 | 108.4 | A293 L313 | A293-K458 HydrophobicContact CB-CB 4.47Å; A293-K458 PolarHBondContact O-N 3.19Å; L313-K458 HydrophobicContact CD1-CD 4.25Å |
| 459 | L | 39.5 | Very low | 47.2 | Very low | 130 Ų | 130 | 80.3 Ų | 80.3 | 68% | 0.681 | 37% | 0.369 | S | S | * | . | trans | -70 | 130.7 | 167.8 | -83.5 | 152.9 | 0 | 0 | 0 | 108.4 | ||||
| 460 | Q | 31.4 | Very low | 47.5 | Very low | 236 Ų | 236 | 82.7 Ų | 82.7 | 100% | 1.103 | 38% | 0.378 | S | S | * | . | trans | -83.3 | 0 | 167.8 | -112.2 | -176.5 | -22.4 | 0 | 0 | 110 |
Retrieved 460 of 460 residues in 448.7 ms
(Link to these results)