| 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 | 39.4 | Very low | 55.6 | Low | 246 Ų | 246 | 122.9 Ų | 122.9 | 100% | 1.212 | 63% | 0.633 | S | S | * | * | 0 | 113 | 0 | -74.3 | 131.1 | 79.4 | 0 | 0 | 106.4 | |||||
| 2 | S | 45.4 | Very low | 56.5 | Low | 74 Ų | 74 | 119.4 Ų | 119.4 | 52% | 0.517 | 63% | 0.627 | S | S | . | * | -168.8 | 107.8 | 66.4 | 165.7 | 0 | 0 | 0 | 0 | 108.8 | G4 S5 | S2-G4 VanDerWaalsContact C-N 3.31Å; S2-S5 PolarHBondContact O-OG 3.4Å; S2-S5 WeakPolarHBondContact OG-CB 3.34Å; S2-S5 PolarHBondContact OG-N 3.06Å; S2-S5 PolarHBondContact OG-OG 2.86Å | |||
| 3 | Q | 47.3 | Very low | 57.4 | Low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -79.5 | -17.5 | 166.1 | -85.6 | 177.3 | -10.5 | 0 | 0 | 111.8 | ||
| 4 | G | 50.7 | Low | 58 | Low | 52 Ų | 52 | 118.1 Ų | 118.1 | 54% | 0.536 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -78.1 | -25.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2 R8 | S2-G4 VanDerWaalsContact C-N 3.31Å; G4-R8 PolarHBondContact O-N 2.68Å |
| 5 | S | 52.6 | Low | 58.8 | Low | 58 Ų | 58 | 115.3 Ų | 115.3 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.9 | -40.3 | 179.2 | 45 | 0 | 0 | 0 | 0 | 112.2 | S2 L7 R8 E9 | S2-S5 PolarHBondContact O-OG 3.4Å; S2-S5 WeakPolarHBondContact OG-CB 3.34Å; S2-S5 PolarHBondContact OG-N 3.06Å; S2-S5 PolarHBondContact OG-OG 2.86Å; S5-L7 PolarHBondContact O-N 3.27Å; S5-R8 PolarHBondContact O-N 3.13Å; S5-E9 WeakPolarHBondContact O-CB 3.25Å; S5-E9 PolarHBondContact O-N 3.05Å |
| 6 | N | 60.8 | Low | 60.2 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.5 | -36.4 | 179.5 | -80.6 | -34.1 | 0 | 0 | 0 | 113.4 | Y10 | N6-Y10 WeakPolarHBondContact O-CB 3.26Å; N6-Y10 PolarHBondContact O-N 3.14Å; N6-Y10 VanDerWaalsContact O-N 3.14Å |
| 7 | L | 60.8 | Low | 61.6 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 67% | 0.665 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.5 | -40.9 | -179.2 | -142.6 | 131.4 | 0 | 0 | 0 | 110.6 | S5 Y10 V11 | S5-L7 PolarHBondContact O-N 3.27Å; L7-Y10 PolarHBondContact O-N 2.97Å; L7-V11 HydrophobicContact CD2-CG2 4.38Å; L7-V11 WeakPolarHBondContact O-CB 3.34Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.02Å |
| 8 | R | 64.1 | Low | 62.8 | Low | 206 Ų | 206 | 105.4 Ų | 105.4 | 78% | 0.777 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.9 | -42.2 | 176.4 | -176.2 | 174.7 | 166.2 | -149.5 | -4.6 | 112.5 | G4 S5 V11 S12 | G4-R8 PolarHBondContact O-N 2.68Å; S5-R8 PolarHBondContact O-N 3.13Å; R8-V11 PolarHBondContact O-N 3.06Å; R8-S12 PolarHBondContact O-N 2.86Å; R8-S12 PolarHBondContact O-OG 2.96Å; R8-S12 VanDerWaalsContact O-OG 3.06Å |
| 9 | E | 64.4 | Low | 64.2 | Low | 117 Ų | 117 | 104.3 Ų | 104.3 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.7 | -44 | 176.3 | -158.9 | 88.9 | -155.1 | 0 | 0 | 111.9 | S5 S12 H13 | S5-E9 WeakPolarHBondContact O-CB 3.25Å; S5-E9 PolarHBondContact O-N 3.05Å; E9-S12 WeakPolarHBondContact CA-OG 2.96Å; E9-S12 PolarHBondContact O-N 3.27Å; E9-S12 PolarHBondContact O-OG 3.3Å; E9-H13 PolarHBondContact O-N 3.47Å; E9-H13 VanDerWaalsContact O-N 3.08Å |
| 10 | Y | 62.9 | Low | 65.5 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.5 | -41.3 | 178.7 | -175.7 | -97.4 | 0 | 0 | 0 | 112.5 | N6 L7 S12 H13 N14 A248 | N6-Y10 WeakPolarHBondContact O-CB 3.26Å; N6-Y10 PolarHBondContact O-N 3.14Å; N6-Y10 VanDerWaalsContact O-N 3.14Å; L7-Y10 PolarHBondContact O-N 2.97Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 3.26Å; Y10-H13 PolarHBondContact O-N 3.15Å; Y10-N14 PolarHBondContact O-N 3.27Å; Y10-N14 VanDerWaalsContact O-N 3.1Å; Y10-A248 WeakPolarHBondContact OH-CB 3.37Å |
| 11 | V | 63.7 | Low | 66.7 | Low | 62 Ų | 62 | 102.4 Ų | 102.4 | 38% | 0.376 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.9 | -38.3 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L7 R8 T18 | L7-V11 HydrophobicContact CD2-CG2 4.38Å; L7-V11 WeakPolarHBondContact O-CB 3.34Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.02Å; R8-V11 PolarHBondContact O-N 3.06Å; V11-T18 HydrophobicContact CB-CG2 4.47Å; V11-T18 HydrophobicContact CG1-CG2 4.26Å; V11-T18 HydrophobicContact CG2-CG2 3.83Å |
| 12 | S | 65.4 | Low | 69.2 | Low | 81 Ų | 81 | 95 Ų | 95 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.8 | -30.4 | 176.2 | 47 | 0 | 0 | 0 | 0 | 113.9 | R8 E9 Y10 | R8-S12 PolarHBondContact O-N 2.86Å; R8-S12 PolarHBondContact O-OG 2.96Å; R8-S12 VanDerWaalsContact O-OG 3.06Å; E9-S12 WeakPolarHBondContact CA-OG 2.96Å; E9-S12 PolarHBondContact O-N 3.27Å; E9-S12 PolarHBondContact O-OG 3.3Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 3.26Å |
| 13 | H | 68.2 | Low | 71.5 | Confident | 140 Ų | 140 | 94.9 Ų | 94.9 | 65% | 0.648 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -86.2 | -24.5 | -177.2 | -104.3 | -49.7 | 0 | 0 | 0 | 114.5 | E9 Y10 P15 | E9-H13 PolarHBondContact O-N 3.47Å; E9-H13 VanDerWaalsContact O-N 3.08Å; Y10-H13 PolarHBondContact O-N 3.15Å; H13-P15 VanDerWaalsContact C-CD 3.46Å |
| 14 | N | 66.2 | Low | 73.8 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | trans | -131 | 59.6 | -178 | -65.8 | -83.4 | 0 | 0 | 0 | 113.5 | Y10 G17 T18 | Y10-N14 PolarHBondContact O-N 3.27Å; Y10-N14 VanDerWaalsContact O-N 3.1Å; N14-G17 PolarHBondContact O-N 2.95Å; N14-T18 PolarHBondContact O-N 2.98Å; N14-T18 PolarHBondContact O-OG1 3.08Å | ||
| 15 | P | 70.1 | Confident | 76 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.3 | -46.9 | -169.9 | 6.1 | -12.7 | 0 | 0 | 0 | 115 | H13 G17 T19 | H13-P15 VanDerWaalsContact C-CD 3.46Å; P15-G17 PolarHBondContact O-N 3.31Å; P15-T19 PolarHBondContact O-N 2.9Å; P15-T19 PolarHBondContact O-OG1 3.09Å |
| 16 | P | 81 | Confident | 78.1 | Confident | 103 Ų | 103 | 88.6 Ų | 88.6 | 67% | 0.669 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.7 | -36.1 | -179.2 | -21.5 | 33 | 0 | 0 | 0 | 113.6 | F20 | P16-F20 WeakPolarHBondContact O-CB 3.39Å; P16-F20 PolarHBondContact O-N 3.16Å |
| 17 | G | 83.7 | Confident | 79.8 | Confident | 44 Ų | 44 | 86.1 Ų | 86.1 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.2 | -41 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | N14 P15 F21 | N14-G17 PolarHBondContact O-N 2.95Å; P15-G17 PolarHBondContact O-N 3.31Å; G17-F21 WeakPolarHBondContact O-CB 3.42Å; G17-F21 PolarHBondContact O-N 3.46Å |
| 18 | T | 84.2 | Confident | 81.5 | Confident | 21 Ų | 21 | 80 Ų | 80 | 13% | 0.129 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | V11 N14 F20 F21 L22 | V11-T18 HydrophobicContact CB-CG2 4.47Å; V11-T18 HydrophobicContact CG1-CG2 4.26Å; V11-T18 HydrophobicContact CG2-CG2 3.83Å; N14-T18 PolarHBondContact O-N 2.98Å; N14-T18 PolarHBondContact O-OG1 3.08Å; T18-F20 PolarHBondContact O-N 3.41Å; T18-F21 PolarHBondContact O-N 2.8Å; T18-L22 HydrophobicContact CG2-CD1 4.15Å; T18-L22 WeakPolarHBondContact O-CG 3.4Å; T18-L22 PolarHBondContact O-N 2.9Å |
| 19 | T | 88.1 | Confident | 83.1 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 179 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | P15 F21 L22 C23 | P15-T19 PolarHBondContact O-N 2.9Å; P15-T19 PolarHBondContact O-OG1 3.09Å; T19-F21 PolarHBondContact O-N 2.78Å; T19-L22 PolarHBondContact O-N 2.93Å; T19-C23 PolarHBondContact O-N 2.87Å; T19-C23 PolarHBondContact O-SG 3.18Å |
| 20 | F | 90.7 | Very high | 84.6 | Confident | 116 Ų | 116 | 74 Ų | 74 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 176.3 | 178.3 | -106 | 0 | 0 | 0 | 112.3 | P16 T18 L22 C23 L24 L244 | P16-F20 WeakPolarHBondContact O-CB 3.39Å; P16-F20 PolarHBondContact O-N 3.16Å; T18-F20 PolarHBondContact O-N 3.41Å; F20-L22 PolarHBondContact O-N 3.42Å; F20-C23 PolarHBondContact O-N 3.05Å; F20-L24 HydrophobicContact CD1-CD1 4Å; F20-L24 HydrophobicContact CD1-CG 4.49Å; F20-L24 HydrophobicContact CE1-CD1 3.38Å; F20-L24 HydrophobicContact CE1-CG 4.14Å; F20-L24 HydrophobicContact CE2-CD1 4.3Å; F20-L24 HydrophobicContact CE2-CD2 4.26Å; F20-L24 HydrophobicContact CE2-CG 4.28Å; F20-L24 HydrophobicContact CZ-CD1 3.57Å; F20-L24 HydrophobicContact CZ-CD2 4.15Å; F20-L24 HydrophobicContact CZ-CG 4.03Å; F20-L24 WeakPolarHBondContact O-CG 3.38Å; F20-L24 PolarHBondContact O-N 2.92Å; F20-L244 HydrophobicContact CD1-CD1 4.25Å; F20-L244 HydrophobicContact CE1-CD1 4.1Å |
| 21 | F | 91.5 | Very high | 86.3 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 23% | 0.232 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 176.8 | 173 | -94.4 | 0 | 0 | 0 | 112.4 | G17 T18 T19 C23 L24 L25 C241 L244 C245 | G17-F21 WeakPolarHBondContact O-CB 3.42Å; G17-F21 PolarHBondContact O-N 3.46Å; T18-F21 PolarHBondContact O-N 2.8Å; T19-F21 PolarHBondContact O-N 2.78Å; F21-C23 VanDerWaalsContact C-N 3.32Å; F21-C23 PolarHBondContact O-N 3.09Å; F21-L24 PolarHBondContact O-N 2.77Å; F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 PolarHBondContact O-N 3.48Å; F21-C241 HydrophobicContact CD2-CB 4.23Å; F21-C241 HydrophobicContact CE2-CB 3.66Å; F21-C241 HydrophobicContact CZ-CB 4.46Å; F21-L244 HydrophobicContact CD2-CB 4.4Å; F21-L244 HydrophobicContact CD2-CD1 4.37Å; F21-C245 VanDerWaalsContact CE2-SG 3.53Å |
| 22 | L | 91.6 | Very high | 87.8 | Confident | 90 Ų | 90 | 72 Ų | 72 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 178.8 | -70.1 | 175.7 | 0 | 0 | 0 | 111.6 | T18 T19 F20 L25 T26 | T18-L22 HydrophobicContact CG2-CD1 4.15Å; T18-L22 WeakPolarHBondContact O-CG 3.4Å; T18-L22 PolarHBondContact O-N 2.9Å; T19-L22 PolarHBondContact O-N 2.93Å; F20-L22 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 3.42Å; L22-T26 WeakPolarHBondContact O-CG2 3.25Å; L22-T26 PolarHBondContact O-N 2.9Å; L22-T26 PolarHBondContact O-OG1 3.04Å |
| 23 | C | 94.5 | Very high | 89.2 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 48% | 0.48 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.2 | -69.6 | 0 | 0 | 0 | 0 | 112.6 | T19 F20 F21 L25 T26 L27 | T19-C23 PolarHBondContact O-N 2.87Å; T19-C23 PolarHBondContact O-SG 3.18Å; F20-C23 PolarHBondContact O-N 3.05Å; F21-C23 VanDerWaalsContact C-N 3.32Å; F21-C23 PolarHBondContact O-N 3.09Å; C23-L25 VanDerWaalsContact C-N 3.34Å; C23-T26 PolarHBondContact O-OG1 3.11Å; C23-L27 VanDerWaalsContact O-CB 3.25Å; C23-L27 WeakPolarHBondContact O-CB 3.16Å; C23-L27 PolarHBondContact O-N 2.91Å |
| 24 | L | 95.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.12 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.9 | -67.1 | -178.1 | 0 | 0 | 0 | 111.6 | F20 F21 L27 A28 L237 V240 L244 | F20-L24 HydrophobicContact CD1-CD1 4Å; F20-L24 HydrophobicContact CD1-CG 4.49Å; F20-L24 HydrophobicContact CE1-CD1 3.38Å; F20-L24 HydrophobicContact CE1-CG 4.14Å; F20-L24 HydrophobicContact CE2-CD1 4.3Å; F20-L24 HydrophobicContact CE2-CD2 4.26Å; F20-L24 HydrophobicContact CE2-CG 4.28Å; F20-L24 HydrophobicContact CZ-CD1 3.57Å; F20-L24 HydrophobicContact CZ-CD2 4.15Å; F20-L24 HydrophobicContact CZ-CG 4.03Å; F20-L24 WeakPolarHBondContact O-CG 3.38Å; F20-L24 PolarHBondContact O-N 2.92Å; F21-L24 PolarHBondContact O-N 2.77Å; L24-L27 PolarHBondContact O-N 3.49Å; L24-A28 WeakPolarHBondContact O-CB 3.45Å; L24-A28 PolarHBondContact O-N 2.99Å; L24-L237 HydrophobicContact CD2-CD2 3.92Å; L24-V240 HydrophobicContact CD1-CG1 3.94Å; L24-L244 HydrophobicContact CD1-CD1 4.22Å |
| 25 | L | 95.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 178.3 | -168.1 | 82.6 | 0 | 0 | 0 | 111.7 | F21 L22 C23 A28 F29 L238 | F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.42Å; C23-L25 VanDerWaalsContact C-N 3.34Å; L25-A28 PolarHBondContact O-N 3.43Å; L25-F29 PolarHBondContact O-N 3.24Å; L25-L238 HydrophobicContact CD1-CD2 4.39Å |
| 26 | T | 96.7 | Very high | 92.8 | Very high | 85 Ų | 85 | 66.4 Ų | 66.4 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | L22 C23 A28 F29 S30 | L22-T26 WeakPolarHBondContact O-CG2 3.25Å; L22-T26 PolarHBondContact O-N 2.9Å; L22-T26 PolarHBondContact O-OG1 3.04Å; C23-T26 PolarHBondContact O-OG1 3.11Å; T26-A28 PolarHBondContact O-N 3.04Å; T26-F29 PolarHBondContact O-N 2.88Å; T26-S30 PolarHBondContact O-N 3.38Å; T26-S30 PolarHBondContact O-OG 2.63Å; T26-S30 VanDerWaalsContact O-OG 3.1Å |
| 27 | L | 97 | Very high | 93.4 | Very high | 72 Ų | 72 | 67.2 Ų | 67.2 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 176.5 | -174.3 | 64.6 | 0 | 0 | 0 | 111.9 | C23 L24 F29 S30 F31 L237 | C23-L27 VanDerWaalsContact O-CB 3.25Å; C23-L27 WeakPolarHBondContact O-CB 3.16Å; C23-L27 PolarHBondContact O-N 2.91Å; L24-L27 PolarHBondContact O-N 3.49Å; L27-F29 PolarHBondContact O-N 2.83Å; L27-S30 PolarHBondContact O-N 2.94Å; L27-F31 HydrophobicContact CD1-CD1 4.48Å; L27-F31 HydrophobicContact CD1-CE1 3.81Å; L27-F31 HydrophobicContact CD1-CE2 4.04Å; L27-F31 HydrophobicContact CD1-CZ 3.56Å; L27-F31 HydrophobicContact CD2-CE2 4.21Å; L27-F31 HydrophobicContact CD2-CZ 4.34Å; L27-F31 HydrophobicContact CG-CD2 4.35Å; L27-F31 HydrophobicContact CG-CE1 4.46Å; L27-F31 HydrophobicContact CG-CE2 3.83Å; L27-F31 HydrophobicContact CG-CZ 3.9Å; L27-F31 WeakPolarHBondContact O-CG 3.25Å; L27-F31 PolarHBondContact O-N 3.28Å; L27-L237 HydrophobicContact CB-CD1 4.39Å; L27-L237 HydrophobicContact CD2-CD1 3.92Å; L27-L237 HydrophobicContact CG-CD1 3.96Å |
| 28 | A | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L24 L25 T26 F31 I32 L237 L238 | L24-A28 WeakPolarHBondContact O-CB 3.45Å; L24-A28 PolarHBondContact O-N 2.99Å; L25-A28 PolarHBondContact O-N 3.43Å; T26-A28 PolarHBondContact O-N 3.04Å; A28-F31 PolarHBondContact O-N 2.94Å; A28-I32 WeakPolarHBondContact O-CG1 3.06Å; A28-I32 PolarHBondContact O-N 2.87Å; A28-L237 HydrophobicContact CB-CB 3.86Å; A28-L237 HydrophobicContact CB-CD1 4.3Å; A28-L238 HydrophobicContact CB-CD2 3.99Å; A28-L238 HydrophobicContact CB-CG 4.08Å |
| 29 | F | 96.8 | Very high | 93.9 | Very high | 127 Ų | 127 | 73.3 Ų | 73.3 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 176.4 | -106.5 | -84.2 | 0 | 0 | 0 | 112.5 | L25 T26 L27 F31 I32 V33 | L25-F29 PolarHBondContact O-N 3.24Å; T26-F29 PolarHBondContact O-N 2.88Å; L27-F29 PolarHBondContact O-N 2.83Å; F29-F31 VanDerWaalsContact C-N 3.31Å; F29-F31 PolarHBondContact O-N 2.92Å; F29-I32 PolarHBondContact O-N 2.87Å; F29-V33 WeakPolarHBondContact O-CG2 3.43Å; F29-V33 PolarHBondContact O-N 2.97Å |
| 30 | S | 97.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 73.1 Ų | 73.1 | 49% | 0.49 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | T26 L27 V33 L34 | T26-S30 PolarHBondContact O-N 3.38Å; T26-S30 PolarHBondContact O-OG 2.63Å; T26-S30 VanDerWaalsContact O-OG 3.1Å; L27-S30 PolarHBondContact O-N 2.94Å; S30-V33 PolarHBondContact O-N 3.05Å; S30-L34 VanDerWaalsContact O-CB 3.25Å; S30-L34 WeakPolarHBondContact O-CB 3.38Å; S30-L34 PolarHBondContact O-N 2.76Å |
| 31 | F | 97.3 | Very high | 93.7 | Very high | 52 Ų | 52 | 72 Ų | 72 | 23% | 0.228 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 176 | -69.9 | -15 | 0 | 0 | 0 | 112.8 | L27 A28 F29 L34 S35 L230 V233 L237 | L27-F31 HydrophobicContact CD1-CD1 4.48Å; L27-F31 HydrophobicContact CD1-CE1 3.81Å; L27-F31 HydrophobicContact CD1-CE2 4.04Å; L27-F31 HydrophobicContact CD1-CZ 3.56Å; L27-F31 HydrophobicContact CD2-CE2 4.21Å; L27-F31 HydrophobicContact CD2-CZ 4.34Å; L27-F31 HydrophobicContact CG-CD2 4.35Å; L27-F31 HydrophobicContact CG-CE1 4.46Å; L27-F31 HydrophobicContact CG-CE2 3.83Å; L27-F31 HydrophobicContact CG-CZ 3.9Å; L27-F31 WeakPolarHBondContact O-CG 3.25Å; L27-F31 PolarHBondContact O-N 3.28Å; A28-F31 PolarHBondContact O-N 2.94Å; F29-F31 VanDerWaalsContact C-N 3.31Å; F29-F31 PolarHBondContact O-N 2.92Å; F31-L34 PolarHBondContact O-N 3.01Å; F31-S35 VanDerWaalsContact O-CB 3.31Å; F31-S35 WeakPolarHBondContact O-CB 3.42Å; F31-S35 PolarHBondContact O-N 2.87Å; F31-S35 PolarHBondContact O-OG 3.47Å; F31-L230 HydrophobicContact CB-CG 4.16Å; F31-L230 HydrophobicContact CD1-CD1 4.33Å; F31-L230 HydrophobicContact CD1-CG 4.45Å; F31-L230 HydrophobicContact CG-CG 4.38Å; F31-L230 WeakPolarHBondContact O-CD2 3.46Å; F31-V233 HydrophobicContact CD2-CB 4.46Å; F31-V233 HydrophobicContact CD2-CG1 3.87Å; F31-V233 HydrophobicContact CE2-CG1 3.66Å; F31-L237 HydrophobicContact CD2-CD1 3.9Å; F31-L237 HydrophobicContact CE2-CD1 3.92Å |
| 32 | I | 95.4 | Very high | 93.3 | Very high | 66 Ų | 66 | 72.7 Ų | 72.7 | 34% | 0.338 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 175 | -66.5 | 166.6 | 0 | 0 | 0 | 111 | A28 F29 S35 S36 L238 | A28-I32 WeakPolarHBondContact O-CG1 3.06Å; A28-I32 PolarHBondContact O-N 2.87Å; F29-I32 PolarHBondContact O-N 2.87Å; I32-S35 WeakPolarHBondContact O-CB 3.25Å; I32-S35 PolarHBondContact O-N 2.76Å; I32-S36 PolarHBondContact O-N 2.94Å; I32-L238 HydrophobicContact CD1-CD1 4.11Å |
| 33 | V | 95.4 | Very high | 93 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 58% | 0.576 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | F29 S30 S35 S36 Y37 | F29-V33 WeakPolarHBondContact O-CG2 3.43Å; F29-V33 PolarHBondContact O-N 2.97Å; S30-V33 PolarHBondContact O-N 3.05Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.13Å; V33-S36 PolarHBondContact O-N 3.36Å; V33-Y37 WeakPolarHBondContact O-CB 3.5Å; V33-Y37 PolarHBondContact O-N 2.82Å |
| 34 | L | 93.9 | Very high | 92.6 | Very high | 84 Ų | 84 | 70.7 Ų | 70.7 | 44% | 0.44 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 177.8 | -176.2 | 59.5 | 0 | 0 | 0 | 111.6 | S30 F31 S38 L230 | S30-L34 VanDerWaalsContact O-CB 3.25Å; S30-L34 WeakPolarHBondContact O-CB 3.38Å; S30-L34 PolarHBondContact O-N 2.76Å; F31-L34 PolarHBondContact O-N 3.01Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.24Å; L34-S38 PolarHBondContact O-OG 3.36Å; L34-L230 HydrophobicContact CB-CD2 3.7Å; L34-L230 HydrophobicContact CD2-CD2 3.85Å; L34-L230 HydrophobicContact CG-CD2 3.6Å |
| 35 | S | 93.4 | Very high | 92 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 5% | 0.049 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | F31 I32 V33 S38 Y39 L230 | F31-S35 VanDerWaalsContact O-CB 3.31Å; F31-S35 WeakPolarHBondContact O-CB 3.42Å; F31-S35 PolarHBondContact O-N 2.87Å; F31-S35 PolarHBondContact O-OG 3.47Å; I32-S35 WeakPolarHBondContact O-CB 3.25Å; I32-S35 PolarHBondContact O-N 2.76Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.13Å; S35-S38 CarbonylContact O-C 3.59Å; S35-S38 PolarHBondContact O-N 3.1Å; S35-Y39 WeakPolarHBondContact O-CB 3.29Å; S35-Y39 PolarHBondContact O-N 3.15Å; S35-L230 WeakPolarHBondContact OG-CB 3.33Å; S35-L230 WeakPolarHBondContact OG-CD2 3.38Å |
| 36 | S | 92.7 | Very high | 91.4 | Very high | 74 Ų | 74 | 72.9 Ų | 72.9 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 179.3 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | I32 V33 Y39 S40 | I32-S36 PolarHBondContact O-N 2.94Å; V33-S36 PolarHBondContact O-N 3.36Å; S36-Y39 PolarHBondContact O-N 2.93Å; S36-S40 PolarHBondContact O-N 2.92Å; S36-S40 PolarHBondContact O-OG 2.98Å |
| 37 | Y | 93.4 | Very high | 90.7 | Very high | 120 Ų | 120 | 75.1 Ų | 75.1 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 175.6 | -179.6 | -96.2 | 0 | 0 | 0 | 111.4 | V33 Y39 S40 H41 L43 | V33-Y37 WeakPolarHBondContact O-CB 3.5Å; V33-Y37 PolarHBondContact O-N 2.82Å; Y37-Y39 PolarHBondContact O-N 2.98Å; Y37-S40 PolarHBondContact O-N 2.9Å; Y37-S40 VanDerWaalsContact O-N 3.07Å; Y37-H41 AromaticContact CD2-CE1 3.83Å; Y37-H41 AromaticContact CD2-ND1 3.55Å; Y37-H41 HydrophobicContact CE1-CB 4.31Å; Y37-H41 HydrophobicContact CE2-CB 4.48Å; Y37-H41 AromaticContact CE2-CE1 3.59Å; Y37-H41 AromaticContact CE2-CG 3.77Å; Y37-H41 AromaticContact CE2-ND1 3.42Å; Y37-H41 WeakPolarHBondContact CE2-ND1 3.45Å; Y37-H41 AromaticContact CE2-NE2 3.99Å; Y37-H41 AromaticContact CZ-CG 3.87Å; Y37-H41 AromaticContact CZ-ND1 3.96Å; Y37-H41 PolarHBondContact O-N 2.84Å; Y37-H41 PolarHBondContact O-ND1 3.13Å; Y37-L43 HydrophobicContact CE1-CD2 4.1Å |
| 38 | S | 90.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 75 Ų | 75 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.6 | -19.9 | 179.8 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | L34 S35 Q223 | L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.24Å; L34-S38 PolarHBondContact O-OG 3.36Å; S35-S38 CarbonylContact O-C 3.59Å; S35-S38 PolarHBondContact O-N 3.1Å; S38-Q223 VanDerWaalsContact O-CG 3.31Å; S38-Q223 WeakPolarHBondContact O-CG 3.42Å; S38-Q223 PolarHBondContact O-NE2 3.48Å |
| 39 | Y | 88.9 | Confident | 88.7 | Confident | 179 Ų | 179 | 83.3 Ų | 83.3 | 70% | 0.702 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -78.5 | -32.9 | 171.6 | -179.3 | -96.8 | 0 | 0 | 0 | 112 | S35 S36 Y37 | S35-Y39 WeakPolarHBondContact O-CB 3.29Å; S35-Y39 PolarHBondContact O-N 3.15Å; S36-Y39 PolarHBondContact O-N 2.93Å; Y37-Y39 PolarHBondContact O-N 2.98Å |
| 40 | S | 86.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 80.8 Ų | 80.8 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -92.9 | -21.2 | -171.1 | -52.2 | 0 | 0 | 0 | 0 | 114 | S36 Y37 | S36-S40 PolarHBondContact O-N 2.92Å; S36-S40 PolarHBondContact O-OG 2.98Å; Y37-S40 PolarHBondContact O-N 2.9Å; Y37-S40 VanDerWaalsContact O-N 3.07Å |
| 41 | H | 87 | Confident | 87.4 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -119.6 | 132.9 | -177 | -65.1 | 78.8 | 0 | 0 | 0 | 110.4 | Y37 L43 Q223 | Y37-H41 AromaticContact CD2-CE1 3.83Å; Y37-H41 AromaticContact CD2-ND1 3.55Å; Y37-H41 HydrophobicContact CE1-CB 4.31Å; Y37-H41 HydrophobicContact CE2-CB 4.48Å; Y37-H41 AromaticContact CE2-CE1 3.59Å; Y37-H41 AromaticContact CE2-CG 3.77Å; Y37-H41 AromaticContact CE2-ND1 3.42Å; Y37-H41 WeakPolarHBondContact CE2-ND1 3.45Å; Y37-H41 AromaticContact CE2-NE2 3.99Å; Y37-H41 AromaticContact CZ-CG 3.87Å; Y37-H41 AromaticContact CZ-ND1 3.96Å; Y37-H41 PolarHBondContact O-N 2.84Å; Y37-H41 PolarHBondContact O-ND1 3.13Å; H41-L43 PolarHBondContact O-N 2.85Å; H41-Q223 PolarHBondContact O-NE2 3.3Å |
| 42 | S | 83.9 | Confident | 87.1 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 46% | 0.462 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 129.5 | 168 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | M217 | S42-M217 WeakPolarHBondContact O-CE 3.38Š|
| 43 | L | 85.4 | Confident | 86.9 | Confident | 44 Ų | 44 | 73 Ų | 73 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 143.2 | -178.4 | -66.6 | 175.2 | 0 | 0 | 0 | 110.2 | Y37 H41 M217 L218 | Y37-L43 HydrophobicContact CE1-CD2 4.1Å; H41-L43 PolarHBondContact O-N 2.85Å; L43-M217 CarbonylContact O-C 3.58Å; L43-M217 WeakPolarHBondContact O-CA 3.34Å; L43-L218 HydrophobicContact CB-CD1 4Å; L43-L218 PolarHBondContact O-N 3.42Å |
| 44 | P | 85 | Confident | 86.7 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 144.8 | 174.7 | 28.9 | -34.3 | 0 | 0 | 0 | 110.5 | P46 T215 M217 | P44-P46 WeakPolarHBondContact O-CD 3.46Å; P44-T215 HydrophobicContact CB-CG2 3.76Å; P44-M217 HydrophobicContact CB-SD 4.37Å |
| 45 | N | 83.8 | Confident | 86.7 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 118.6 | 175.3 | -174.8 | -22.4 | 0 | 0 | 0 | 110.1 | D47 I48 V216 L218 | N45-D47 VanDerWaalsContact C-N 3.26Å; N45-D47 PolarHBondContact O-N 2.73Å; N45-D47 WeakPolarHBondContact OD1-CB 3.36Å; N45-D47 PolarHBondContact OD1-N 3.26Å; N45-I48 HydrophobicContact CB-CG1 4.16Å; N45-I48 PolarHBondContact O-N 2.04Å; N45-V216 HydrophobicContact CB-CB 4.4Å; N45-V216 HydrophobicContact CB-CG1 4.16Å; N45-V216 WeakPolarHBondContact CB-O 3.25Å; N45-V216 PolarHBondContact N-O 3.29Å; N45-L218 HydrophobicContact CB-CD2 4.48Å; N45-L218 HydrophobicContact CB-CG 4.44Å |
| 46 | P | 82.9 | Confident | 86.7 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 66% | 0.662 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17 | -178.3 | 31.2 | -36.6 | 0 | 0 | 0 | 114 | P44 I48 | P44-P46 WeakPolarHBondContact O-CD 3.46Å; P46-I48 PolarHBondContact O-N 3.36Å |
| 47 | D | 82.2 | Confident | 86.7 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.2 | -179.9 | -59.1 | -34.3 | 0 | 0 | 0 | 112.4 | N45 E49 | N45-D47 VanDerWaalsContact C-N 3.26Å; N45-D47 PolarHBondContact O-N 2.73Å; N45-D47 WeakPolarHBondContact OD1-CB 3.36Å; N45-D47 PolarHBondContact OD1-N 3.26Å; D47-E49 PolarHBondContact O-N 2.92Å |
| 48 | I | 80.4 | Confident | 86.7 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 36% | 0.359 | 33% | 0.327 | S | S | . | . | trans | -93.1 | 93.5 | 177.2 | -53.2 | -57.3 | 0 | 0 | 0 | 109 | N45 P46 Q50 D51 V216 | N45-I48 HydrophobicContact CB-CG1 4.16Å; N45-I48 PolarHBondContact O-N 2.04Å; P46-I48 PolarHBondContact O-N 3.36Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 2.99Å; I48-D51 HydrophobicContact CG2-CB 4.24Å; I48-V216 HydrophobicContact CG1-CB 4.08Å; I48-V216 HydrophobicContact CG1-CG2 4.23Å | ||
| 49 | E | 71.9 | Confident | 86.9 | Confident | 174 Ų | 174 | 60.5 Ų | 60.5 | 81% | 0.813 | 32% | 0.323 | S | S | * | . | trans | -73.2 | -23.3 | -179.5 | -61.1 | -172.6 | 171.2 | 0 | 0 | 113.4 | D47 | D47-E49 PolarHBondContact O-N 2.92Š| ||
| 50 | Q | 78.9 | Confident | 87.2 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | trans | -136.4 | 104 | -174.2 | -64.5 | 179.5 | 0.7 | 0 | 0 | 111.3 | I48 L138 | I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 2.99Å; Q50-L138 PolarHBondContact NE2-O 2.93Å; Q50-L138 VanDerWaalsContact NE2-O 3.13Å; Q50-L138 PolarHBondContact OE1-O 3.41Å | ||
| 51 | D | 87.4 | Confident | 87.6 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 9% | 0.086 | 29% | 0.293 | C | S | . | . | trans | -117.5 | 169.3 | 175.6 | 74.6 | -9.4 | 0 | 0 | 0 | 112.3 | I48 N53 T54 L55 T215 | I48-D51 HydrophobicContact CG2-CB 4.24Å; D51-N53 VanDerWaalsContact C-N 3.28Å; D51-N53 PolarHBondContact O-N 3.29Å; D51-T54 PolarHBondContact O-N 3.38Å; D51-T54 WeakPolarHBondContact OD1-CB 3.26Å; D51-T54 PolarHBondContact OD1-N 2.04Å; D51-T54 PolarHBondContact OD1-OG1 2.81Å; D51-L55 PolarHBondContact O-N 3.29Å; D51-L55 VanDerWaalsContact O-N 3.15Å; D51-T215 PolarHBondContact OD2-OG1 2.77Å | ||
| 52 | W | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -34 | 179.2 | -73.4 | 98.6 | 0 | 0 | 0 | 112.1 | T54 L55 L56 L105 L107 I162 L169 P170 V174 P175 L214 | W52-T54 VanDerWaalsContact C-N 3.31Å; W52-T54 PolarHBondContact O-N 3.42Å; W52-L55 HydrophobicContact CE3-CD1 3.79Å; W52-L55 HydrophobicContact CH2-CD1 4.49Å; W52-L55 HydrophobicContact CZ3-CD1 3.62Å; W52-L55 PolarHBondContact O-N 3.47Å; W52-L56 VanDerWaalsContact O-CB 3.32Å; W52-L56 WeakPolarHBondContact O-CB 3.25Å; W52-L56 WeakPolarHBondContact O-CG 3.25Å; W52-L56 PolarHBondContact O-N 2.91Å; W52-L105 HydrophobicContact CH2-CD1 4.02Å; W52-L105 HydrophobicContact CZ2-CD1 4.11Å; W52-L107 HydrophobicContact CE3-CD1 3.94Å; W52-L107 HydrophobicContact CH2-CD1 3.18Å; W52-L107 HydrophobicContact CZ2-CD1 3.84Å; W52-L107 HydrophobicContact CZ3-CD1 3.22Å; W52-I162 HydrophobicContact CH2-CG2 4.08Å; W52-I162 HydrophobicContact CZ3-CG2 4.28Å; W52-L169 HydrophobicContact CH2-CD2 4.35Å; W52-P170 HydrophobicContact CD2-CB 4.15Å; W52-P170 HydrophobicContact CD2-CG 4.12Å; W52-P170 HydrophobicContact CE3-CG 4.46Å; W52-P170 HydrophobicContact CG-CB 4.13Å; W52-P170 HydrophobicContact CG-CG 4.41Å; W52-P170 HydrophobicContact CZ2-CB 4.41Å; W52-P170 HydrophobicContact CZ2-CG 4.46Å; W52-P170 PolarHBondContact NE1-O 2.94Å; W52-V174 HydrophobicContact CZ2-CG1 4.43Å; W52-P175 HydrophobicContact CB-CG 4.35Å; W52-P175 HydrophobicContact CD2-CG 3.94Å; W52-P175 HydrophobicContact CE3-CG 4.23Å; W52-P175 HydrophobicContact CG-CG 3.99Å; W52-L214 HydrophobicContact CB-CB 4.25Å; W52-L214 HydrophobicContact CB-CD1 4.43Å |
| 53 | N | 91.6 | Very high | 88.3 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 174.8 | -83.3 | -39.9 | 0 | 0 | 0 | 111.9 | D51 L57 F208 D211 T215 | D51-N53 VanDerWaalsContact C-N 3.28Å; D51-N53 PolarHBondContact O-N 3.29Å; N53-L57 WeakPolarHBondContact O-CB 3.35Å; N53-L57 PolarHBondContact O-N 3.02Å; N53-F208 HydrophobicContact CB-CE1 4.47Å; N53-F208 HydrophobicContact CB-CZ 4.4Å; N53-F208 WeakPolarHBondContact O-CE1 3.45Å; N53-F208 VanDerWaalsContact OD1-CZ 3.23Å; N53-F208 WeakPolarHBondContact OD1-CZ 3.44Å; N53-D211 PolarHBondContact ND2-O 3.47Å; N53-D211 PolarHBondContact OD1-N 3.27Å; N53-D211 VanDerWaalsContact OD1-N 3.1Å; N53-D211 PolarHBondContact OD1-O 2.95Å; N53-T215 PolarHBondContact ND2-OG1 3.22Å |
| 54 | T | 90.6 | Very high | 88.5 | Confident | 47 Ų | 47 | 46 Ų | 46 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 178.1 | -61 | 0 | 0 | 0 | 0 | 111.6 | D51 W52 S58 K137 | D51-T54 PolarHBondContact O-N 3.38Å; D51-T54 WeakPolarHBondContact OD1-CB 3.26Å; D51-T54 PolarHBondContact OD1-N 2.04Å; D51-T54 PolarHBondContact OD1-OG1 2.81Å; W52-T54 VanDerWaalsContact C-N 3.31Å; W52-T54 PolarHBondContact O-N 3.42Å; T54-S58 WeakPolarHBondContact O-CB 3.19Å; T54-S58 PolarHBondContact O-N 3.15Å; T54-K137 HydrophobicContact CG2-CB 4.15Å; T54-K137 HydrophobicContact CG2-CD 3.94Å |
| 55 | L | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -56.1 | 175.2 | -175.9 | 175.2 | 0 | 0 | 0 | 110.6 | D51 W52 L57 S58 F59 L138 I162 P170 | D51-L55 PolarHBondContact O-N 3.29Å; D51-L55 VanDerWaalsContact O-N 3.15Å; W52-L55 HydrophobicContact CE3-CD1 3.79Å; W52-L55 HydrophobicContact CH2-CD1 4.49Å; W52-L55 HydrophobicContact CZ3-CD1 3.62Å; W52-L55 PolarHBondContact O-N 3.47Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 2.86Å; L55-S58 PolarHBondContact O-N 2.88Å; L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 PolarHBondContact O-N 3.37Å; L55-L138 HydrophobicContact CB-CD2 4.16Å; L55-L138 HydrophobicContact CD1-CD1 3.55Å; L55-L138 HydrophobicContact CD1-CD2 3.94Å; L55-L138 HydrophobicContact CD1-CG 4.16Å; L55-L138 HydrophobicContact CG-CD1 3.93Å; L55-L138 HydrophobicContact CG-CD2 4.18Å; L55-L138 HydrophobicContact CG-CG 4.22Å; L55-I162 HydrophobicContact CD1-CD1 3.92Å; L55-P170 HydrophobicContact CD1-CG 4.09Å |
| 56 | L | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -37.6 | -174.9 | -67 | 170.9 | 0 | 0 | 0 | 111.5 | W52 F59 S60 V109 L160 F208 L214 | W52-L56 VanDerWaalsContact O-CB 3.32Å; W52-L56 WeakPolarHBondContact O-CB 3.25Å; W52-L56 WeakPolarHBondContact O-CG 3.25Å; W52-L56 PolarHBondContact O-N 2.91Å; L56-F59 PolarHBondContact O-N 2.85Å; L56-S60 WeakPolarHBondContact O-CB 3.3Å; L56-S60 PolarHBondContact O-N 3.42Å; L56-V109 HydrophobicContact CD1-CB 3.95Å; L56-V109 HydrophobicContact CD1-CG1 3.94Å; L56-V109 HydrophobicContact CD2-CB 4.07Å; L56-V109 HydrophobicContact CD2-CG1 4.07Å; L56-V109 HydrophobicContact CD2-CG2 4.12Å; L56-L160 HydrophobicContact CD2-CD2 3.69Å; L56-F208 HydrophobicContact CB-CD1 4.44Å; L56-F208 HydrophobicContact CB-CD2 3.7Å; L56-F208 HydrophobicContact CB-CE1 4.15Å; L56-F208 HydrophobicContact CB-CE2 3.38Å; L56-F208 HydrophobicContact CB-CG 4.22Å; L56-F208 HydrophobicContact CB-CZ 3.61Å; L56-F208 HydrophobicContact CD1-CD2 4.48Å; L56-F208 HydrophobicContact CD1-CE2 3.63Å; L56-F208 HydrophobicContact CD1-CZ 4.08Å; L56-F208 HydrophobicContact CG-CE2 4.13Å; L56-L214 HydrophobicContact CD1-CD1 3.99Å |
| 57 | L | 93.4 | Very high | 88.9 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 37% | 0.372 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.8 | -49.4 | 172.8 | -179.9 | 63.5 | 0 | 0 | 0 | 111.1 | N53 L55 F59 S60 T61 F208 | N53-L57 WeakPolarHBondContact O-CB 3.35Å; N53-L57 PolarHBondContact O-N 3.02Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 2.86Å; L57-F59 VanDerWaalsContact C-N 3.26Å; L57-F59 PolarHBondContact O-N 3.41Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-S60 PolarHBondContact O-OG 3.22Å; L57-T61 PolarHBondContact O-N 3.41Å; L57-F208 HydrophobicContact CB-CD1 3.74Å; L57-F208 HydrophobicContact CB-CE1 3.94Å; L57-F208 HydrophobicContact CD1-CD1 4.04Å; L57-F208 HydrophobicContact CG-CD1 4.5Å |
| 58 | S | 93.6 | Very high | 88.1 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 177.3 | -160.1 | 0 | 0 | 0 | 0 | 110.5 | T54 L55 S60 T61 F62 Q135 | T54-S58 WeakPolarHBondContact O-CB 3.19Å; T54-S58 PolarHBondContact O-N 3.15Å; L55-S58 PolarHBondContact O-N 2.88Å; S58-S60 VanDerWaalsContact C-N 3.35Å; S58-S60 PolarHBondContact O-N 3.37Å; S58-T61 PolarHBondContact O-N 3.42Å; S58-T61 PolarHBondContact O-OG1 3.14Å; S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 WeakPolarHBondContact O-CE2 3.45Å; S58-Q135 PolarHBondContact OG-O 3.36Å |
| 59 | F | 94.2 | Very high | 87 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 179.3 | -175 | -127.8 | 0 | 0 | 0 | 112.9 | L55 L56 L57 T61 F62 L64 L111 L131 L136 L146 L148 L160 M206 | L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 PolarHBondContact O-N 3.37Å; L56-F59 PolarHBondContact O-N 2.85Å; L57-F59 VanDerWaalsContact C-N 3.26Å; L57-F59 PolarHBondContact O-N 3.41Å; F59-T61 PolarHBondContact O-N 2.71Å; F59-F62 HydrophobicContact CD2-CD2 4.3Å; F59-F62 WeakPolarHBondContact O-CD2 3.29Å; F59-F62 PolarHBondContact O-N 3.28Å; F59-L64 HydrophobicContact CE2-CD2 4.4Å; F59-L64 HydrophobicContact CZ-CD1 4.18Å; F59-L111 HydrophobicContact CD1-CD2 4.07Å; F59-L111 HydrophobicContact CE1-CD2 4.1Å; F59-L131 HydrophobicContact CD2-CD1 3.9Å; F59-L131 HydrophobicContact CE2-CD1 4Å; F59-L136 HydrophobicContact CB-CD2 3.9Å; F59-L136 HydrophobicContact CD2-CD2 3.95Å; F59-L136 HydrophobicContact CG-CD2 4.27Å; F59-L146 HydrophobicContact CD2-CD1 3.65Å; F59-L146 HydrophobicContact CE1-CD1 4.34Å; F59-L146 HydrophobicContact CE2-CD1 3.44Å; F59-L146 VanDerWaalsContact CE2-CD1 3.44Å; F59-L146 HydrophobicContact CG-CD1 4.24Å; F59-L146 HydrophobicContact CZ-CD1 3.83Å; F59-L148 HydrophobicContact CE1-CD1 3.77Å; F59-L148 HydrophobicContact CE1-CD2 3.73Å; F59-L148 HydrophobicContact CE1-CG 4.07Å; F59-L148 HydrophobicContact CZ-CD1 3.58Å; F59-L148 HydrophobicContact CZ-CD2 3.93Å; F59-L148 HydrophobicContact CZ-CG 4.28Å; F59-L160 HydrophobicContact CE1-CD1 4.31Å; F59-M206 HydrophobicContact CD1-CE 4.41Å; F59-M206 HydrophobicContact CD1-SD 4.01Å; F59-M206 HydrophobicContact CD2-CE 4.43Å; F59-M206 HydrophobicContact CE1-CE 4.13Å; F59-M206 HydrophobicContact CE1-SD 3.48Å; F59-M206 WeakPolarHBondContact CE1-SD 3.29Å; F59-M206 HydrophobicContact CE2-CE 4.11Å; F59-M206 HydrophobicContact CE2-SD 4.47Å; F59-M206 HydrophobicContact CZ-CE 3.93Å; F59-M206 HydrophobicContact CZ-SD 3.71Å; F59-M206 WeakPolarHBondContact O-CE 3.28Å |
| 60 | S | 94.3 | Very high | 85.5 | Confident | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.119 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -18.9 | 179.7 | 73.3 | 0 | 0 | 0 | 0 | 115.1 | L56 L57 S58 F62 | L56-S60 WeakPolarHBondContact O-CB 3.3Å; L56-S60 PolarHBondContact O-N 3.42Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-S60 PolarHBondContact O-OG 3.22Å; S58-S60 VanDerWaalsContact C-N 3.35Å; S58-S60 PolarHBondContact O-N 3.37Å; S60-F62 PolarHBondContact O-N 3.21Å |
| 61 | T | 94.2 | Very high | 83.6 | Confident | 83 Ų | 83 | 47.4 Ų | 47.4 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15 | 178.3 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | L57 S58 F59 | L57-T61 PolarHBondContact O-N 3.41Å; S58-T61 PolarHBondContact O-N 3.42Å; S58-T61 PolarHBondContact O-OG1 3.14Å; F59-T61 PolarHBondContact O-N 2.71Å |
| 62 | F | 93.3 | Very high | 81 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -86.6 | 150.4 | 178.3 | -62.6 | -64.6 | 0 | 0 | 0 | 111.9 | S58 F59 S60 L131 Q135 V192 N194 M206 | S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 WeakPolarHBondContact O-CE2 3.45Å; F59-F62 HydrophobicContact CD2-CD2 4.3Å; F59-F62 WeakPolarHBondContact O-CD2 3.29Å; F59-F62 PolarHBondContact O-N 3.28Å; S60-F62 PolarHBondContact O-N 3.21Å; F62-L131 HydrophobicContact CD2-CD1 4.32Å; F62-L131 HydrophobicContact CE2-CD1 4.36Å; F62-Q135 HydrophobicContact CZ-CB 4.05Å; F62-V192 HydrophobicContact CB-CG1 3.66Å; F62-V192 HydrophobicContact CD1-CG1 3.37Å; F62-V192 HydrophobicContact CD2-CG1 4.27Å; F62-V192 HydrophobicContact CE1-CG1 4.08Å; F62-V192 HydrophobicContact CG-CG1 3.49Å; F62-V192 VanDerWaalsContact CG-CG1 3.49Å; F62-N194 WeakPolarHBondContact CD1-OD1 3.47Å; F62-N194 WeakPolarHBondContact CE1-OD1 3.18Å; F62-M206 HydrophobicContact CB-CE 4.43Å; F62-M206 WeakPolarHBondContact O-CE 3.5Å |
| 63 | H | 92 | Very high | 78.6 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 21% | 0.208 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139.2 | 164 | -59.7 | -79.3 | 0 | 0 | 0 | 109.3 | T193 Y204 | H63-T193 HydrophobicContact CB-CG2 3.78Å; H63-T193 PolarHBondContact N-O 2.93Å; H63-T193 PolarHBondContact O-N 3.04Å; H63-Y204 WeakPolarHBondContact CA-O 3.39Å |
| 64 | L | 91.6 | Very high | 75.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.4 | 178.6 | -56.9 | -179.1 | 0 | 0 | 0 | 108.7 | F59 L127 T129 L148 V190 E191 V192 C203 Y204 M206 | F59-L64 HydrophobicContact CE2-CD2 4.4Å; F59-L64 HydrophobicContact CZ-CD1 4.18Å; L64-L127 HydrophobicContact CD1-CD1 4.22Å; L64-T129 HydrophobicContact CD2-CG2 4.27Å; L64-L148 HydrophobicContact CD1-CD2 3.86Å; L64-V190 HydrophobicContact CB-CB 3.95Å; L64-V190 HydrophobicContact CB-CG1 4.38Å; L64-V190 HydrophobicContact CB-CG2 3.77Å; L64-V190 HydrophobicContact CD1-CG2 4.17Å; L64-V190 HydrophobicContact CD2-CG2 4.12Å; L64-V190 HydrophobicContact CG-CG2 4.23Å; L64-E191 WeakPolarHBondContact CA-O 3.19Å; L64-V192 HydrophobicContact CD2-CG2 3.61Å; L64-C203 CarbonylContact O-C 3.57Å; L64-C203 VanDerWaalsContact O-CA 3.28Å; L64-C203 WeakPolarHBondContact O-CA 3.49Å; L64-Y204 HydrophobicContact CB-CD2 4.45Å; L64-Y204 PolarHBondContact N-O 2.72Å; L64-Y204 VanDerWaalsContact O-CD2 3.29Å; L64-Y204 WeakPolarHBondContact O-CD2 3.31Å; L64-Y204 PolarHBondContact O-N 3.46Å; L64-M206 HydrophobicContact CD1-CE 4.01Å; L64-M206 HydrophobicContact CD1-SD 3.94Å; L64-M206 HydrophobicContact CD2-CE 4.32Å; L64-M206 HydrophobicContact CG-CE 3.88Å; L64-M206 HydrophobicContact CG-SD 4.44Å |
| 65 | C | 90.3 | Very high | 73.2 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.8 | -176.5 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | K67 V190 E191 P197 Q201 T202 C203 | C65-K67 PolarHBondContact O-N 2.9Å; C65-V190 CarbonylContact O-C 3.54Å; C65-V190 VanDerWaalsContact O-CA 3.25Å; C65-V190 WeakPolarHBondContact O-CA 3.27Å; C65-E191 PolarHBondContact N-O 3.14Å; C65-E191 PolarHBondContact O-N 3.43Å; C65-P197 VanDerWaalsContact SG-CD 3.59Å; C65-P197 VanDerWaalsContact SG-CG 3.58Å; C65-Q201 HydrophobicContact CB-CG 4.27Å; C65-T202 WeakPolarHBondContact CA-O 3.48Å; C65-C203 HydrophobicContact CB-CB 4.12Å; C65-C203 WeakPolarHBondContact CB-SG 3.24Å; C65-C203 WeakPolarHBondContact SG-CB 3.36Å; C65-C203 CovalentContact SG-SG 2.04Å; C65-C203 PolarHBondContact SG-SG 3.31Å |
| 66 | E | 88.7 | Confident | 70.7 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 29% | 0.29 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126.5 | -178.8 | -64.1 | -172.7 | 168.7 | 0 | 0 | 111.3 | E68 V188 Q201 T202 Y204 | E66-E68 PolarHBondContact O-N 3.22Å; E66-V188 HydrophobicContact CB-CG1 4.35Å; E66-V188 HydrophobicContact CG-CG1 3.75Å; E66-Q201 VanDerWaalsContact O-CD 3.29Å; E66-Q201 VanDerWaalsContact O-CG 3.29Å; E66-Q201 WeakPolarHBondContact O-CG 3.29Å; E66-Q201 PolarHBondContact O-NE2 3.43Å; E66-T202 HydrophobicContact CG-CG2 4.48Å; E66-T202 PolarHBondContact N-O 3.21Å; E66-Y204 HydrophobicContact CG-CE2 3.98Å; E66-Y204 PolarHBondContact OE1-OH 2.86Å |
| 67 | K | 81.2 | Confident | 67.5 | Low | 113 Ų | 113 | 78.3 Ų | 78.3 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 126.4 | -179.2 | -165.3 | 174.9 | -174.3 | -179 | 0 | 111.5 | C65 N69 A70 P189 | C65-K67 PolarHBondContact O-N 2.9Å; K67-N69 PolarHBondContact O-N 3.21Å; K67-N69 VanDerWaalsContact O-N 3.15Å; K67-A70 HydrophobicContact CD-CB 3.85Å; K67-A70 HydrophobicContact CG-CB 4.44Å; K67-P189 PolarHBondContact N-O 3.29Å |
| 68 | E | 65.3 | Low | 64.8 | Low | 159 Ų | 159 | 80.5 Ų | 80.5 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -60 | 117.7 | 170.4 | -94.2 | -170.9 | 150.8 | 0 | 0 | 109.7 | E66 A70 | E66-E68 PolarHBondContact O-N 3.22Å; E68-A70 PolarHBondContact O-N 3.19Å |
| 69 | N | 55.9 | Low | 62.2 | Low | 159 Ų | 159 | 87.7 Ų | 87.7 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | trans | 13.7 | 79.2 | 171.6 | -74.4 | -28.5 | 0 | 0 | 0 | 115.8 | K67 S71 | K67-N69 PolarHBondContact O-N 3.21Å; K67-N69 VanDerWaalsContact O-N 3.15Å; N69-S71 VanDerWaalsContact C-N 3.29Å; N69-S71 PolarHBondContact O-N 3.36Å | ||
| 70 | A | 40.9 | Very low | 59.1 | Low | 61 Ų | 61 | 91.9 Ų | 91.9 | 50% | 0.504 | 55% | 0.55 | S | S | . | * | trans | -80.6 | 78.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K67 E68 S72 | K67-A70 HydrophobicContact CD-CB 3.85Å; K67-A70 HydrophobicContact CG-CB 4.44Å; E68-A70 PolarHBondContact O-N 3.19Å; A70-S72 PolarHBondContact O-N 3.37Å | ||
| 71 | S | 39.4 | Very low | 56.3 | Low | 123 Ų | 123 | 96.7 Ų | 96.7 | 86% | 0.86 | 58% | 0.581 | S | S | * | * | trans | -71.7 | 70.5 | 156.4 | 45.7 | 0 | 0 | 0 | 0 | 109.8 | N69 | N69-S71 VanDerWaalsContact C-N 3.29Å; N69-S71 PolarHBondContact O-N 3.36Å | ||
| 72 | S | 32.8 | Very low | 53.4 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -168.6 | 135 | 161.2 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | A70 A74 | A70-S72 PolarHBondContact O-N 3.37Å; S72-A74 PolarHBondContact O-N 2.86Å; S72-A74 VanDerWaalsContact O-N 3.14Å |
| 73 | P | 41.3 | Very low | 50.3 | Low | 117 Ų | 117 | 108 Ų | 108 | 76% | 0.76 | 63% | 0.632 | S | S | * | * | trans | -72 | 110.5 | -172.9 | 30.1 | -32.6 | 0 | 0 | 0 | 109.8 | H75 | P73-H75 PolarHBondContact O-N 3.2Š| ||
| 74 | A | 33.9 | Very low | 47.3 | Very low | 89 Ų | 89 | 112 Ų | 112 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | trans | -67.8 | 108.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | S72 T76 | S72-A74 PolarHBondContact O-N 2.86Å; S72-A74 VanDerWaalsContact O-N 3.14Å; A74-T76 PolarHBondContact O-N 2.83Å | ||
| 75 | H | 34.8 | Very low | 44.3 | Very low | 176 Ų | 176 | 119.2 Ų | 119.2 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | trans | 0.1 | 107.4 | 162.9 | -67.7 | -72.8 | 0 | 0 | 0 | 116.5 | P73 S77 | P73-H75 PolarHBondContact O-N 3.2Å; H75-S77 PolarHBondContact O-N 3.02Å | ||
| 76 | T | 38.6 | Very low | 41.4 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 2.9 | 99.5 | 150.8 | -25.8 | 0 | 0 | 0 | 0 | 115.8 | A74 | A74-T76 PolarHBondContact O-N 2.83Š| ||
| 77 | S | 27.3 | Very low | 38.9 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -107.7 | 136 | 145.7 | -82.4 | 0 | 0 | 0 | 0 | 108.2 | H75 I79 | H75-S77 PolarHBondContact O-N 3.02Å; S77-I79 PolarHBondContact O-N 2.95Å | ||
| 78 | P | 37 | Very low | 36.2 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -73.2 | 104.5 | 179.3 | 28.5 | -29.7 | 0 | 0 | 0 | 109.2 | ||||
| 79 | I | 40 | Very low | 34.7 | Very low | 164 Ų | 164 | 137 Ų | 137 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 118.8 | 154.2 | -62.3 | 170 | 0 | 0 | 0 | 106 | S77 | S77-I79 PolarHBondContact O-N 2.95Š| ||
| 80 | A | 29.4 | Very low | 33.3 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -123.4 | 139.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 81 | P | 35.3 | Very low | 32.7 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -83.3 | 165.1 | -169.8 | 3 | 16.8 | 0 | 0 | 0 | 113 | ||||
| 82 | L | 33 | Very low | 32.4 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -32.4 | 126.2 | 167.9 | -145.9 | 80 | 0 | 0 | 0 | 114.6 | ||||
| 83 | Q | 27.6 | Very low | 32.1 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -142.2 | 114.1 | 155.7 | -74.2 | -167.3 | -21.8 | 0 | 0 | 111.1 | ||||
| 84 | T | 29.3 | Very low | 32.1 | Very low | 131 Ų | 131 | 148 Ų | 148 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 110.3 | 165 | -30 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 85 | I | 28.2 | Very low | 31.9 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | trans | -146.6 | 132.9 | 158.2 | -57.2 | -175.6 | 0 | 0 | 0 | 110.5 | ||||
| 86 | Q | 28.7 | Very low | 31.9 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -35.4 | 140.9 | 174.9 | -75.5 | 177.5 | -61.6 | 0 | 0 | 119.1 | ||||
| 87 | E | 36.5 | Very low | 31.8 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 14.7 | 117.3 | 131.3 | -164.3 | 179.4 | -177.2 | 0 | 0 | 119.4 | ||||
| 88 | K | 24.8 | Very low | 32.6 | Very low | 207 Ų | 207 | 153.2 Ų | 153.2 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | trans | -164.2 | 128.4 | 132.3 | -147.2 | 168.3 | -175.8 | 171.2 | 0 | 113.3 | ||||
| 89 | D | 33.1 | Very low | 33.1 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -42.3 | 139.9 | 168.8 | -85.2 | -59.8 | 0 | 0 | 0 | 115.9 | ||||
| 90 | K | 28.1 | Very low | 34 | Very low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | -171.2 | 107.8 | 127.5 | -161.3 | 166.4 | 177.5 | -177.7 | 0 | 114.5 | |||||
| 91 | K | 28 | Very low | 36.7 | Very low | 178 Ų | 178 | 147 Ų | 147 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | 23.7 | 126.2 | 144.1 | -102.2 | -166.4 | 159.1 | -174 | 0 | 122.3 | ||||
| 92 | I | 32 | Very low | 39.3 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | trans | 73.9 | 109.7 | 139.1 | -52.7 | 163 | 0 | 0 | 0 | 118.5 | ||||
| 93 | S | 27.5 | Very low | 42 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | -159.6 | 141.2 | 111.9 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 94 | I | 41.3 | Very low | 45 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | trans | -86.4 | 111.4 | -176.3 | -59.6 | 155.9 | 0 | 0 | 0 | 107.1 | ||||
| 95 | N | 30.2 | Very low | 47.9 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | trans | -177.4 | 94.1 | 140.7 | -101.7 | 0.5 | 0 | 0 | 0 | 107.1 | T97 | N95-T97 PolarHBondContact O-N 3.33Š| ||
| 96 | A | 33.3 | Very low | 50.9 | Low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 68% | 0.679 | S | S | * | * | trans | -72.4 | 80.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | R98 | A96-R98 PolarHBondContact O-N 3.4Š| ||
| 97 | T | 38.1 | Very low | 53.9 | Low | 125 Ų | 125 | 122.2 Ų | 122.2 | 77% | 0.767 | 64% | 0.641 | S | S | * | * | trans | -58.3 | 118.1 | 146.9 | -53.9 | 0 | 0 | 0 | 0 | 105.2 | N95 S99 | N95-T97 PolarHBondContact O-N 3.33Å; T97-S99 PolarHBondContact O-N 2.77Å | ||
| 98 | R | 43.6 | Very low | 56.6 | Low | 244 Ų | 244 | 116.4 Ų | 116.4 | 92% | 0.921 | 61% | 0.613 | S | S | * | * | trans | -53.3 | 89 | 174.2 | -88.4 | -179.4 | 180 | 157.5 | -0.9 | 108.7 | A96 S100 | A96-R98 PolarHBondContact O-N 3.4Å; R98-S100 PolarHBondContact O-N 3.44Å; R98-S100 VanDerWaalsContact O-N 3.13Å | ||
| 99 | S | 47 | Very low | 59.8 | Low | 106 Ų | 106 | 106.5 Ų | 106.5 | 74% | 0.741 | 57% | 0.57 | S | S | * | * | trans | -71.7 | 103.9 | 163.1 | 59.8 | 0 | 0 | 0 | 0 | 104.7 | T97 S101 | T97-S99 PolarHBondContact O-N 2.77Å; S99-S101 VanDerWaalsContact C-N 3.3Å; S99-S101 PolarHBondContact O-N 3.4Å | ||
| 100 | S | 60 | Low | 62.6 | Low | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | trans | -60.8 | 98.9 | 170 | 43.5 | 0 | 0 | 0 | 0 | 107.5 | R98 V102 | R98-S100 PolarHBondContact O-N 3.44Å; R98-S100 VanDerWaalsContact O-N 3.13Å; S100-V102 PolarHBondContact O-N 3.37Å | ||
| 101 | S | 85 | Confident | 65.7 | Low | 67 Ų | 67 | 90.4 Ų | 90.4 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 129.1 | 171.9 | 47.2 | 0 | 0 | 0 | 0 | 108 | S99 T166 | S99-S101 VanDerWaalsContact C-N 3.3Å; S99-S101 PolarHBondContact O-N 3.4Å; S101-T166 VanDerWaalsContact O-CG2 3.25Å; S101-T166 WeakPolarHBondContact O-CG2 3.37Å; S101-T166 PolarHBondContact O-N 3.22Å; S101-T166 PolarHBondContact O-OG1 3.01Å; S101-T166 WeakPolarHBondContact OG-CG2 3.04Å; S101-T166 PolarHBondContact OG-OG1 2.88Å |
| 102 | V | 89.3 | Confident | 68.6 | Low | 84 Ų | 84 | 82.9 Ų | 82.9 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 127.4 | 174.4 | 178 | 0 | 0 | 0 | 0 | 107.4 | S100 R163 | S100-V102 PolarHBondContact O-N 3.37Å; V102-R163 HydrophobicContact CG1-CG 3.66Å |
| 103 | K | 90.3 | Very high | 71.4 | Confident | 113 Ų | 113 | 77.6 Ų | 77.6 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 145.5 | 172 | -97 | -178.3 | -160.5 | 174.3 | 0 | 109.9 | R163 A164 T166 L169 | K103-R163 WeakPolarHBondContact O-CA 3.07Å; K103-A164 PolarHBondContact N-O 2.9Å; K103-A164 PolarHBondContact O-N 3.02Å; K103-A164 VanDerWaalsContact O-N 3.09Å; K103-T166 HydrophobicContact CB-CG2 3.87Å; K103-T166 HydrophobicContact CD-CG2 3.52Å; K103-T166 VanDerWaalsContact CE-CG2 3.48Å; K103-T166 HydrophobicContact CG-CG2 3.37Å; K103-L169 HydrophobicContact CB-CD1 3.84Å |
| 104 | D | 90 | Very high | 74.2 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.6 | 170.6 | -159.7 | -16.6 | 0 | 0 | 0 | 107.2 | H106 T161 | D104-H106 IonicContact OD1-CE1 3.41Å; D104-T161 VanDerWaalsContact OD1-CG2 3.25Å; D104-T161 WeakPolarHBondContact OD1-CG2 3.2Å |
| 105 | L | 90.7 | Very high | 76.4 | Confident | 41 Ų | 41 | 70.3 Ų | 70.3 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.2 | -175.8 | -62 | 174.6 | 0 | 0 | 0 | 109.7 | W52 L107 T161 I162 L169 | W52-L105 HydrophobicContact CH2-CD1 4.02Å; W52-L105 HydrophobicContact CZ2-CD1 4.11Å; L105-L107 HydrophobicContact CB-CD1 4.15Å; L105-L107 HydrophobicContact CB-CD2 4.18Å; L105-L107 HydrophobicContact CB-CG 4.01Å; L105-L107 HydrophobicContact CD1-CD1 4.5Å; L105-T161 CarbonylContact O-C 3.49Å; L105-T161 VanDerWaalsContact O-CA 3.25Å; L105-T161 WeakPolarHBondContact O-CA 2.95Å; L105-I162 HydrophobicContact CB-CG2 3.8Å; L105-I162 HydrophobicContact CD1-CG2 4.37Å; L105-I162 PolarHBondContact N-O 2.63Å; L105-I162 PolarHBondContact O-N 2.74Å; L105-L169 HydrophobicContact CD1-CD1 4Å |
| 106 | H | 92.1 | Very high | 78.8 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.3 | 174 | -53.8 | -72.4 | 0 | 0 | 0 | 109 | D104 T161 S177 C178 V180 | D104-H106 IonicContact OD1-CE1 3.41Å; H106-T161 VanDerWaalsContact CE1-CG2 3.46Å; H106-T161 WeakPolarHBondContact CE1-CG2 2.8Å; H106-T161 WeakPolarHBondContact ND1-CG2 3.18Å; H106-T161 PolarHBondContact ND1-OG1 3.43Å; H106-S177 CarbonylContact O-C 3.51Å; H106-S177 WeakPolarHBondContact O-CA 3.35Å; H106-C178 PolarHBondContact O-N 2.79Å; H106-V180 HydrophobicContact CB-CG2 4.26Å |
| 107 | L | 92.1 | Very high | 80.8 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.2 | -164 | -59.9 | 174 | 0 | 0 | 0 | 110.7 | W52 L105 V109 L160 I162 V174 P175 C178 | W52-L107 HydrophobicContact CE3-CD1 3.94Å; W52-L107 HydrophobicContact CH2-CD1 3.18Å; W52-L107 HydrophobicContact CZ2-CD1 3.84Å; W52-L107 HydrophobicContact CZ3-CD1 3.22Å; L105-L107 HydrophobicContact CB-CD1 4.15Å; L105-L107 HydrophobicContact CB-CD2 4.18Å; L105-L107 HydrophobicContact CB-CG 4.01Å; L105-L107 HydrophobicContact CD1-CD1 4.5Å; L107-V109 HydrophobicContact CB-CG1 3.86Å; L107-V109 PolarHBondContact O-N 2.91Å; L107-L160 PolarHBondContact N-O 2.91Å; L107-L160 PolarHBondContact O-N 2.9Å; L107-I162 HydrophobicContact CD1-CG2 3.84Å; L107-V174 HydrophobicContact CD2-CG1 3.76Å; L107-P175 HydrophobicContact CB-CB 4.14Å; L107-P175 HydrophobicContact CB-CG 4.37Å; L107-P175 HydrophobicContact CD1-CG 4.3Å; L107-P175 HydrophobicContact CD2-CB 4.26Å; L107-P175 HydrophobicContact CD2-CG 4.41Å; L107-C178 PolarHBondContact O-SG 3.49Å |
| 108 | H | 91.6 | Very high | 81.8 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 111 | 171.4 | -171 | -99.1 | 0 | 0 | 0 | 108.2 | H157 P175 P176 C178 | H108-H157 VanDerWaalsContact CE1-CB 3.41Å; H108-H157 WeakPolarHBondContact CE1-CB 3.41Å; H108-H157 AromaticContact CE1-CD2 3.6Å; H108-H157 AromaticContact CE1-CG 3.47Å; H108-H157 VanDerWaalsContact CE1-CG 3.47Å; H108-H157 AromaticContact ND1-CD2 4Å; H108-H157 WeakPolarHBondContact NE2-CB 3.05Å; H108-H157 AromaticContact NE2-CG 4Å; H108-P175 WeakPolarHBondContact O-CB 3.45Å; H108-P176 HydrophobicContact CB-CB 4.37Å; H108-P176 WeakPolarHBondContact CB-O 3.4Å; H108-P176 PolarHBondContact N-O 3.34Å; H108-C178 PolarHBondContact N-SG 2.68Å; H108-C178 VanDerWaalsContact N-SG 3.38Å |
| 109 | V | 92.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.7 | -169.2 | -63 | 0 | 0 | 0 | 0 | 111.9 | L56 L107 L111 H157 I158 L160 P175 | L56-V109 HydrophobicContact CD1-CB 3.95Å; L56-V109 HydrophobicContact CD1-CG1 3.94Å; L56-V109 HydrophobicContact CD2-CB 4.07Å; L56-V109 HydrophobicContact CD2-CG1 4.07Å; L56-V109 HydrophobicContact CD2-CG2 4.12Å; L107-V109 HydrophobicContact CB-CG1 3.86Å; L107-V109 PolarHBondContact O-N 2.91Å; V109-L111 HydrophobicContact CG2-CB 4.26Å; V109-L111 PolarHBondContact O-N 2.9Å; V109-H157 VanDerWaalsContact O-CA 3.26Å; V109-H157 WeakPolarHBondContact O-CA 3.33Å; V109-I158 HydrophobicContact CG2-CD1 4.37Å; V109-I158 HydrophobicContact CG2-CG1 3.68Å; V109-I158 PolarHBondContact N-O 3.32Å; V109-I158 PolarHBondContact O-N 3.16Å; V109-L160 HydrophobicContact CG1-CB 4.45Å; V109-L160 HydrophobicContact CG2-CB 3.69Å; V109-L160 HydrophobicContact CG2-CD2 4.4Å; V109-P175 HydrophobicContact CG1-CB 4.04Å; V109-P175 HydrophobicContact CG1-CG 4.02Å |
| 110 | P | 92.6 | Very high | 82.6 | Confident | 17 Ų | 17 | 54 Ų | 54 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | trans | -80.5 | 70.1 | -178.2 | 33 | -34.5 | 0 | 0 | 0 | 111.2 | E156 F208 R209 D211 L214 | P110-E156 CarbonylContact C-O 3.47Å; P110-F208 HydrophobicContact CG-CE2 3.94Å; P110-F208 VanDerWaalsContact O-CD2 3.23Å; P110-F208 WeakPolarHBondContact O-CD2 3.34Å; P110-R209 PolarHBondContact O-N 3.03Å; P110-D211 HydrophobicContact CG-CB 4Å; P110-L214 HydrophobicContact CG-CD1 4.44Å | ||
| 111 | L | 91.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.8 | 177.4 | -163.3 | 73.4 | 0 | 0 | 0 | 108.4 | F59 V109 L148 E156 I158 M206 F208 | F59-L111 HydrophobicContact CD1-CD2 4.07Å; F59-L111 HydrophobicContact CE1-CD2 4.1Å; V109-L111 HydrophobicContact CG2-CB 4.26Å; V109-L111 PolarHBondContact O-N 2.9Å; L111-L148 HydrophobicContact CD2-CD2 4.45Å; L111-E156 CarbonylContact C-O 3.38Å; L111-E156 PolarHBondContact N-O 2.81Å; L111-E156 VanDerWaalsContact N-O 3.16Å; L111-I158 HydrophobicContact CB-CD1 4.01Å; L111-I158 HydrophobicContact CB-CG1 3.97Å; L111-I158 HydrophobicContact CD2-CD1 3.61Å; L111-I158 HydrophobicContact CD2-CG1 4.47Å; L111-I158 HydrophobicContact CG-CD1 4.29Å; L111-I158 WeakPolarHBondContact O-CG2 3.02Å; L111-M206 HydrophobicContact CD1-CB 4.05Å; L111-M206 HydrophobicContact CD2-CB 4.11Å; L111-M206 HydrophobicContact CD2-CG 4.03Å; L111-M206 HydrophobicContact CD2-SD 3.69Å; L111-M206 HydrophobicContact CG-CB 4.06Å; L111-M206 HydrophobicContact CG-CG 4.41Å; L111-F208 HydrophobicContact CD1-CB 3.62Å; L111-F208 HydrophobicContact CD1-CD2 4.04Å; L111-F208 HydrophobicContact CD1-CG 4.28Å |
| 112 | A | 90.1 | Very high | 81.7 | Confident | 21 Ų | 21 | 55 Ų | 55 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 141 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S155 M206 H207 | A112-S155 VanDerWaalsContact CB-O 3.27Å; A112-S155 WeakPolarHBondContact CB-O 3.17Å; A112-M206 CarbonylContact O-C 3.5Å; A112-M206 VanDerWaalsContact O-CA 3.26Å; A112-M206 WeakPolarHBondContact O-CA 3.39Å; A112-H207 HydrophobicContact CB-CB 4.38Å; A112-H207 PolarHBondContact N-O 2.95Å; A112-H207 PolarHBondContact O-N 2.94Å |
| 113 | V | 89.3 | Confident | 80.6 | Confident | 16 Ų | 16 | 57 Ų | 57 | 10% | 0.097 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.4 | 179.5 | -176 | 0 | 0 | 0 | 0 | 109.9 | I150 I158 Y204 S205 M206 | V113-I150 HydrophobicContact CB-CD1 3.93Å; V113-I150 HydrophobicContact CB-CG1 4.17Å; V113-I150 HydrophobicContact CG1-CD1 3.92Å; V113-I150 HydrophobicContact CG2-CD1 4.37Å; V113-I150 HydrophobicContact CG2-CG1 4.14Å; V113-I158 HydrophobicContact CG2-CD1 4.47Å; V113-I158 HydrophobicContact CG2-CG2 3.88Å; V113-Y204 HydrophobicContact CG1-CD1 4.16Å; V113-Y204 HydrophobicContact CG1-CG 4.38Å; V113-S205 WeakPolarHBondContact CA-O 3.41Å; V113-M206 HydrophobicContact CG2-CG 4.34Å |
| 114 | I | 88 | Confident | 79.7 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.5 | -179.1 | -56.9 | 167.7 | 0 | 0 | 0 | 108.6 | Y204 S205 | I114-Y204 CarbonylContact O-C 3.51Å; I114-Y204 VanDerWaalsContact O-CA 3.29Å; I114-Y204 WeakPolarHBondContact O-CA 3.34Å; I114-S205 PolarHBondContact N-O 3.03Å; I114-S205 PolarHBondContact O-N 3.3Å |
| 115 | S | 86.1 | Confident | 79.3 | Confident | 26 Ų | 26 | 54 Ų | 54 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.7 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | S117 | S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact OG-N 2.84Å; S115-S117 PolarHBondContact OG-O 2.73Å |
| 116 | S | 82.1 | Confident | 79.1 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 44% | 0.441 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -72.2 | -23.6 | 168.6 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | C203 | S116-C203 PolarHBondContact N-O 3.42Å; S116-C203 PolarHBondContact OG-N 3.25Å; S116-C203 PolarHBondContact OG-O 3.3Å |
| 117 | S | 73.9 | Confident | 79.1 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | trans | -92.4 | 124.6 | 179.1 | 179 | 0 | 0 | 0 | 0 | 111.2 | S115 S119 | S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact OG-N 2.84Å; S115-S117 PolarHBondContact OG-O 2.73Å; S117-S119 PolarHBondContact O-N 2.89Å | ||
| 118 | P | 59.2 | Low | 79 | Confident | 140 Ų | 140 | 53.3 Ų | 53.3 | 91% | 0.909 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12 | 179.4 | 28.7 | -34 | 0 | 0 | 0 | 113.8 | ||
| 119 | S | 52.2 | Low | 79.1 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 73% | 0.734 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -6.4 | -178.3 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | S117 T121 | S117-S119 PolarHBondContact O-N 2.89Å; S119-T121 PolarHBondContact O-N 3.23Å |
| 120 | G | 56.3 | Low | 79.2 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | trans | -79 | 111.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L122 | G120-L122 PolarHBondContact O-N 2.87Š| ||
| 121 | T | 58.8 | Low | 79.2 | Confident | 108 Ų | 108 | 54.3 Ų | 54.3 | 66% | 0.663 | 33% | 0.325 | S | S | * | . | trans | -69.3 | 110.3 | 167.1 | 54 | 0 | 0 | 0 | 0 | 108.9 | S119 K123 I125 | S119-T121 PolarHBondContact O-N 3.23Å; T121-K123 PolarHBondContact O-N 3.38Å; T121-K123 VanDerWaalsContact O-N 3.14Å; T121-I125 VanDerWaalsContact O-CD1 3.3Å; T121-I125 WeakPolarHBondContact O-CD1 3.47Å | ||
| 122 | L | 66.7 | Low | 79.3 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | trans | -71.1 | -0.7 | 176.9 | -68.9 | 177 | 0 | 0 | 0 | 113.9 | G120 I150 Y204 | G120-L122 PolarHBondContact O-N 2.87Å; L122-I150 HydrophobicContact CB-CD1 3.82Å; L122-I150 HydrophobicContact CB-CG2 4.42Å; L122-I150 HydrophobicContact CD1-CD1 4.26Å; L122-I150 HydrophobicContact CD2-CD1 3.69Å; L122-I150 HydrophobicContact CG-CD1 4.13Å; L122-Y204 HydrophobicContact CD2-CD1 3.91Å; L122-Y204 HydrophobicContact CD2-CE1 3.55Å | ||
| 123 | K | 65.9 | Low | 79.4 | Confident | 128 Ų | 128 | 55.5 Ų | 55.5 | 56% | 0.557 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 136.9 | 178.4 | -62 | -173.7 | 177.1 | -174.3 | 0 | 109.3 | T121 I125 P152 | T121-K123 PolarHBondContact O-N 3.38Å; T121-K123 VanDerWaalsContact O-N 3.14Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 3.32Å; K123-P152 HydrophobicContact CD-CB 4.21Å; K123-P152 HydrophobicContact CG-CB 4.24Å |
| 124 | D | 71.3 | Confident | 79.5 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 30.7 | 175.4 | -50.6 | -48.9 | 0 | 0 | 0 | 115.6 | I185 S186 | D124-I185 HydrophobicContact CB-CG1 4.43Å; D124-I185 WeakPolarHBondContact O-CG2 3.43Å; D124-S186 PolarHBondContact O-N 3.2Å; D124-S186 VanDerWaalsContact O-N 3.13Å |
| 125 | I | 80.9 | Confident | 79.7 | Confident | 28 Ų | 28 | 61 Ų | 61 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.2 | 171.6 | -59.2 | 175.9 | 0 | 0 | 0 | 109.9 | T121 K123 L127 V188 | T121-I125 VanDerWaalsContact O-CD1 3.3Å; T121-I125 WeakPolarHBondContact O-CD1 3.47Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 3.32Å; I125-L127 HydrophobicContact CG2-CD2 3.66Å; I125-L127 HydrophobicContact CG2-CG 4.37Å; I125-V188 HydrophobicContact CG2-CB 4.28Å; I125-V188 HydrophobicContact CG2-CG2 3.79Å |
| 126 | V | 88.4 | Confident | 80 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113.9 | 166.1 | 166.9 | 0 | 0 | 0 | 0 | 108.8 | A147 L148 R149 I185 S186 R187 V188 | V126-A147 HydrophobicContact CG1-CB 3.96Å; V126-L148 VanDerWaalsContact CA-O 3.29Å; V126-L148 WeakPolarHBondContact CA-O 3.34Å; V126-R149 HydrophobicContact CG2-CB 3.92Å; V126-R149 HydrophobicContact CG2-CG 4.14Å; V126-I185 HydrophobicContact CB-CG2 3.9Å; V126-I185 HydrophobicContact CG2-CG2 3.38Å; V126-S186 PolarHBondContact N-O 3.35Å; V126-R187 HydrophobicContact CB-CG 4.26Å; V126-R187 HydrophobicContact CG1-CG 4.34Å; V126-R187 CarbonylContact O-C 3.57Å; V126-R187 WeakPolarHBondContact O-CA 3.49Å; V126-V188 PolarHBondContact O-N 2.99Å |
| 127 | L | 90.4 | Very high | 80.4 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.4 | 173.7 | -52.6 | 178.1 | 0 | 0 | 0 | 108.2 | L64 I125 A147 L148 V188 V190 Y204 | L64-L127 HydrophobicContact CD1-CD1 4.22Å; I125-L127 HydrophobicContact CG2-CD2 3.66Å; I125-L127 HydrophobicContact CG2-CG 4.37Å; L127-A147 CarbonylContact O-C 3.36Å; L127-A147 VanDerWaalsContact O-CA 3.26Å; L127-A147 WeakPolarHBondContact O-CA 3.42Å; L127-L148 HydrophobicContact CB-CB 4.36Å; L127-L148 PolarHBondContact N-O 3.01Å; L127-L148 PolarHBondContact O-N 2.83Å; L127-V188 HydrophobicContact CD2-CB 4.2Å; L127-V190 HydrophobicContact CB-CG1 4.26Å; L127-V190 HydrophobicContact CB-CG2 4.18Å; L127-V190 HydrophobicContact CD2-CG1 3.89Å; L127-Y204 HydrophobicContact CD1-CD1 4.19Å; L127-Y204 HydrophobicContact CD1-CD2 3.51Å; L127-Y204 HydrophobicContact CD1-CE2 3.96Å; L127-Y204 HydrophobicContact CD1-CG 3.63Å; L127-Y204 HydrophobicContact CD2-CD2 3.88Å; L127-Y204 HydrophobicContact CD2-CE2 3.43Å; L127-Y204 VanDerWaalsContact CD2-CE2 3.43Å; L127-Y204 HydrophobicContact CG-CD2 4.35Å; L127-Y204 HydrophobicContact CG-CE2 4.35Å |
| 128 | F | 91.8 | Very high | 81 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 37% | 0.373 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.9 | 178.1 | 74.6 | -92.8 | 0 | 0 | 0 | 112 | L146 A147 R187 V188 P189 V190 | F128-L146 WeakPolarHBondContact CA-O 3.48Å; F128-A147 HydrophobicContact CB-CB 4.45Å; F128-R187 HydrophobicContact CD1-CB 4.07Å; F128-R187 HydrophobicContact CE1-CB 4.14Å; F128-V188 VanDerWaalsContact CD1-C 3.4Å; F128-V188 VanDerWaalsContact CD1-O 3.25Å; F128-V188 WeakPolarHBondContact CD1-O 3.36Å; F128-V188 PolarHBondContact N-O 3.01Å; F128-P189 HydrophobicContact CE1-CB 3.74Å; F128-P189 VanDerWaalsContact CE1-CD 3.49Å; F128-P189 HydrophobicContact CE1-CG 4.11Å; F128-P189 HydrophobicContact CE2-CB 3.76Å; F128-P189 VanDerWaalsContact CZ-CA 3.45Å; F128-P189 HydrophobicContact CZ-CB 3.31Å; F128-P189 HydrophobicContact CZ-CG 3.91Å; F128-V190 WeakPolarHBondContact O-CG2 3.35Å; F128-V190 PolarHBondContact O-N 3.26Å |
| 129 | T | 93.2 | Very high | 82.3 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 9% | 0.086 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 168.9 | 179.3 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | L64 L146 V190 V192 | L64-T129 HydrophobicContact CD2-CG2 4.27Å; T129-L146 HydrophobicContact CG2-CB 4.24Å; T129-L146 PolarHBondContact N-O 3.4Å; T129-L146 PolarHBondContact O-N 2.8Å; T129-V190 WeakPolarHBondContact CB-O 3.43Å; T129-V190 PolarHBondContact OG1-O 2.91Å; T129-V192 HydrophobicContact CG2-CG2 3.92Å; T129-V192 WeakPolarHBondContact OG1-CG2 3.49Å |
| 130 | T | 93.8 | Very high | 84 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.6 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 108.9 | L143 V144 S145 | T130-L143 HydrophobicContact CG2-CB 4.15Å; T130-L143 HydrophobicContact CG2-CD2 4.27Å; T130-V144 WeakPolarHBondContact CA-O 3.43Å; T130-S145 PolarHBondContact OG1-OG 3.27Å |
| 131 | L | 93.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 162.5 | -179.6 | -76.1 | 173 | 0 | 0 | 0 | 110.4 | F59 F62 Q135 L136 V144 L146 V192 | F59-L131 HydrophobicContact CD2-CD1 3.9Å; F59-L131 HydrophobicContact CE2-CD1 4Å; F62-L131 HydrophobicContact CD2-CD1 4.32Å; F62-L131 HydrophobicContact CE2-CD1 4.36Å; L131-Q135 HydrophobicContact CD2-CB 4.43Å; L131-L136 HydrophobicContact CB-CD1 4.24Å; L131-L136 HydrophobicContact CB-CG 4.29Å; L131-L136 HydrophobicContact CD1-CD2 3.76Å; L131-L136 HydrophobicContact CD1-CG 4.2Å; L131-V144 PolarHBondContact N-O 3.15Å; L131-V144 PolarHBondContact O-N 3.09Å; L131-L146 HydrophobicContact CD1-CD1 4.02Å; L131-V192 HydrophobicContact CD1-CG2 4.27Å; L131-V192 HydrophobicContact CD2-CB 3.9Å; L131-V192 HydrophobicContact CD2-CG1 3.8Å; L131-V192 HydrophobicContact CD2-CG2 3.74Å; L131-V192 HydrophobicContact CG-CG2 4.06Å |
| 132 | T | 93.6 | Very high | 87.2 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 147.2 | 167.9 | 61.4 | 0 | 0 | 0 | 0 | 110.4 | K134 Q135 L136 E142 L143 | T132-K134 PolarHBondContact O-N 3.16Å; T132-Q135 WeakPolarHBondContact O-CB 3.2Å; T132-Q135 PolarHBondContact O-N 2.79Å; T132-Q135 VanDerWaalsContact OG1-CD 3.28Å; T132-Q135 VanDerWaalsContact OG1-CG 3.25Å; T132-Q135 WeakPolarHBondContact OG1-CG 3.41Å; T132-Q135 PolarHBondContact OG1-N 3.12Å; T132-Q135 PolarHBondContact OG1-OE1 2.76Å; T132-L136 PolarHBondContact O-N 2.85Å; T132-E142 CarbonylContact C-O 3.52Å; T132-E142 WeakPolarHBondContact CA-O 3.29Å; T132-L143 HydrophobicContact CG2-CD2 4.22Å |
| 133 | A | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q135 L136 K137 L138 G139 E142 V144 I168 | A133-Q135 PolarHBondContact O-N 2.75Å; A133-L136 CarbonylContact O-C 3.53Å; A133-L136 PolarHBondContact O-N 2.86Å; A133-L136 VanDerWaalsContact O-N 3.15Å; A133-K137 PolarHBondContact O-N 3.1Å; A133-K137 VanDerWaalsContact O-N 3.1Å; A133-L138 HydrophobicContact CB-CB 4.38Å; A133-L138 PolarHBondContact O-N 3.46Å; A133-G139 CarbonylContact C-O 3.59Å; A133-G139 PolarHBondContact O-N 2.88Å; A133-E142 HydrophobicContact CB-CB 4.26Å; A133-E142 PolarHBondContact N-O 2.95Å; A133-V144 HydrophobicContact CB-CG2 4.23Å; A133-I168 HydrophobicContact CB-CD1 3.7Å |
| 134 | K | 92.1 | Very high | 89.7 | Confident | 149 Ų | 149 | 58.5 Ų | 58.5 | 65% | 0.648 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -38.4 | 174.3 | -176.4 | 174.7 | -178 | 179 | 0 | 113.6 | T132 L136 K137 G139 D140 | T132-K134 PolarHBondContact O-N 3.16Å; K134-L136 PolarHBondContact O-N 3.48Å; K134-K137 PolarHBondContact O-N 3.37Å; K134-G139 WeakPolarHBondContact CA-O 3.43Å; K134-G139 WeakPolarHBondContact CB-O 3.18Å; K134-G139 PolarHBondContact N-O 3.27Å; K134-G139 VanDerWaalsContact N-O 3.11Å; K134-D140 WeakPolarHBondContact CB-O 3.48Å; K134-D140 PolarHBondContact N-O 3.29Å; K134-D140 VanDerWaalsContact N-O 3.09Å |
| 135 | Q | 91.9 | Very high | 90.8 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.5 | 176.3 | -73.2 | 166.7 | -57.5 | 0 | 0 | 112.3 | S58 F62 L131 T132 A133 | S58-Q135 PolarHBondContact OG-O 3.36Å; F62-Q135 HydrophobicContact CZ-CB 4.05Å; L131-Q135 HydrophobicContact CD2-CB 4.43Å; T132-Q135 WeakPolarHBondContact O-CB 3.2Å; T132-Q135 PolarHBondContact O-N 2.79Å; T132-Q135 VanDerWaalsContact OG1-CD 3.28Å; T132-Q135 VanDerWaalsContact OG1-CG 3.25Å; T132-Q135 WeakPolarHBondContact OG1-CG 3.41Å; T132-Q135 PolarHBondContact OG1-N 3.12Å; T132-Q135 PolarHBondContact OG1-OE1 2.76Å; A133-Q135 PolarHBondContact O-N 2.75Å |
| 136 | L | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 2.8 | 177.8 | -63.8 | 175.2 | 0 | 0 | 0 | 113.5 | F59 L131 T132 A133 K134 L138 V144 L146 | F59-L136 HydrophobicContact CB-CD2 3.9Å; F59-L136 HydrophobicContact CD2-CD2 3.95Å; F59-L136 HydrophobicContact CG-CD2 4.27Å; L131-L136 HydrophobicContact CB-CD1 4.24Å; L131-L136 HydrophobicContact CB-CG 4.29Å; L131-L136 HydrophobicContact CD1-CD2 3.76Å; L131-L136 HydrophobicContact CD1-CG 4.2Å; T132-L136 PolarHBondContact O-N 2.85Å; A133-L136 CarbonylContact O-C 3.53Å; A133-L136 PolarHBondContact O-N 2.86Å; A133-L136 VanDerWaalsContact O-N 3.15Å; K134-L136 PolarHBondContact O-N 3.48Å; L136-L138 VanDerWaalsContact C-N 3.25Å; L136-L138 HydrophobicContact CB-CD1 4.06Å; L136-L138 HydrophobicContact CB-CG 4.06Å; L136-L138 HydrophobicContact CD1-CD1 4.41Å; L136-L138 PolarHBondContact O-N 3Å; L136-V144 HydrophobicContact CD1-CB 3.84Å; L136-V144 HydrophobicContact CD1-CG1 3.66Å; L136-V144 HydrophobicContact CD1-CG2 4.23Å; L136-L146 HydrophobicContact CD1-CD1 4.08Å; L136-L146 HydrophobicContact CD2-CD1 4.31Å |
| 137 | K | 90.3 | Very high | 91.7 | Very high | 132 Ų | 132 | 55.8 Ų | 55.8 | 57% | 0.574 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 34.1 | -174.5 | -56.7 | -178.6 | 178 | -177.5 | 0 | 114.1 | T54 A133 K134 | T54-K137 HydrophobicContact CG2-CB 4.15Å; T54-K137 HydrophobicContact CG2-CD 3.94Å; A133-K137 PolarHBondContact O-N 3.1Å; A133-K137 VanDerWaalsContact O-N 3.1Å; K134-K137 PolarHBondContact O-N 3.37Å |
| 138 | L | 88.1 | Confident | 91.7 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -106 | -20.6 | 179.4 | -68 | 179.5 | 0 | 0 | 0 | 113.9 | Q50 L55 A133 L136 P170 | Q50-L138 PolarHBondContact NE2-O 2.93Å; Q50-L138 VanDerWaalsContact NE2-O 3.13Å; Q50-L138 PolarHBondContact OE1-O 3.41Å; L55-L138 HydrophobicContact CB-CD2 4.16Å; L55-L138 HydrophobicContact CD1-CD1 3.55Å; L55-L138 HydrophobicContact CD1-CD2 3.94Å; L55-L138 HydrophobicContact CD1-CG 4.16Å; L55-L138 HydrophobicContact CG-CD1 3.93Å; L55-L138 HydrophobicContact CG-CD2 4.18Å; L55-L138 HydrophobicContact CG-CG 4.22Å; A133-L138 HydrophobicContact CB-CB 4.38Å; A133-L138 PolarHBondContact O-N 3.46Å; L136-L138 VanDerWaalsContact C-N 3.25Å; L136-L138 HydrophobicContact CB-CD1 4.06Å; L136-L138 HydrophobicContact CB-CG 4.06Å; L136-L138 HydrophobicContact CD1-CD1 4.41Å; L136-L138 PolarHBondContact O-N 3Å; L138-P170 HydrophobicContact CD2-CG 3.63Å |
| 139 | G | 86.3 | Confident | 91.6 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | trans | 177.3 | -152.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A133 K134 | A133-G139 CarbonylContact C-O 3.59Å; A133-G139 PolarHBondContact O-N 2.88Å; K134-G139 WeakPolarHBondContact CA-O 3.43Å; K134-G139 WeakPolarHBondContact CB-O 3.18Å; K134-G139 PolarHBondContact N-O 3.27Å; K134-G139 VanDerWaalsContact N-O 3.11Å | ||
| 140 | D | 87 | Confident | 91.2 | Very high | 123 Ų | 123 | 55.1 Ų | 55.1 | 66% | 0.658 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -103.1 | -93.7 | -176.3 | -70.2 | -46.2 | 0 | 0 | 0 | 112.3 | K134 | K134-D140 WeakPolarHBondContact CB-O 3.48Å; K134-D140 PolarHBondContact N-O 3.29Å; K134-D140 VanDerWaalsContact N-O 3.09Å |
| 141 | K | 89.8 | Confident | 90.4 | Very high | 192 Ų | 192 | 54.1 Ų | 54.1 | 84% | 0.835 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -102.3 | -2.7 | -162.8 | -61.9 | 180 | -176.1 | 177 | 0 | 114.4 | ||
| 142 | E | 92 | Very high | 89.3 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -70.6 | 149.3 | -176 | -58.3 | -170.4 | 128.2 | 0 | 0 | 111.1 | T132 A133 P165 H167 I168 | T132-E142 CarbonylContact C-O 3.52Å; T132-E142 WeakPolarHBondContact CA-O 3.29Å; A133-E142 HydrophobicContact CB-CB 4.26Å; A133-E142 PolarHBondContact N-O 2.95Å; E142-P165 HydrophobicContact CB-CG 4.41Å; E142-H167 IonicContact OE1-CE1 3.37Å; E142-H167 PolarHBondContact OE1-CE1 3.48Å; E142-H167 IonicContact OE1-NE2 3.87Å; E142-H167 PolarHBondContact OE1-NE2 3.17Å; E142-H167 IonicContact OE2-CE1 2.96Å; E142-H167 PolarHBondContact OE2-CE1 2.63Å; E142-H167 IonicContact OE2-NE2 3.26Å; E142-H167 PolarHBondContact OE2-NE2 2.71Å; E142-I168 HydrophobicContact CB-CD1 4.1Å; E142-I168 WeakPolarHBondContact OE2-CD1 3.48Å; E142-I168 WeakPolarHBondContact OE2-CG1 3.26Å; E142-I168 WeakPolarHBondContact OE2-CG2 3.26Å | ||
| 143 | L | 92.1 | Very high | 88.3 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 60% | 0.597 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 136.7 | 178.8 | -64.4 | 174.7 | 0 | 0 | 0 | 109.9 | T130 T132 | T130-L143 HydrophobicContact CG2-CB 4.15Å; T130-L143 HydrophobicContact CG2-CD2 4.27Å; T132-L143 HydrophobicContact CG2-CD2 4.22Å |
| 144 | V | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.2 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | T130 L131 A133 L136 L146 I162 A164 I168 | T130-V144 WeakPolarHBondContact CA-O 3.43Å; L131-V144 PolarHBondContact N-O 3.15Å; L131-V144 PolarHBondContact O-N 3.09Å; A133-V144 HydrophobicContact CB-CG2 4.23Å; L136-V144 HydrophobicContact CD1-CB 3.84Å; L136-V144 HydrophobicContact CD1-CG1 3.66Å; L136-V144 HydrophobicContact CD1-CG2 4.23Å; V144-L146 HydrophobicContact CG1-CD2 3.87Å; V144-L146 HydrophobicContact CG1-CG 4.24Å; V144-I162 HydrophobicContact CG1-CD1 3.79Å; V144-I162 HydrophobicContact CG1-CG1 3.71Å; V144-A164 HydrophobicContact CB-CB 4.5Å; V144-A164 HydrophobicContact CG1-CB 4.19Å; V144-A164 HydrophobicContact CG2-CB 4.01Å; V144-I168 HydrophobicContact CG2-CD1 3.88Å |
| 145 | S | 94.9 | Very high | 86.8 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.1 | 175 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | T130 R163 | T130-S145 PolarHBondContact OG1-OG 3.27Å; S145-R163 PolarHBondContact N-O 3.32Å; S145-R163 PolarHBondContact O-N 3.44Å |
| 146 | L | 94.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.6 | -178.5 | -60.2 | 176.1 | 0 | 0 | 0 | 109.7 | F59 F128 T129 L131 L136 V144 L148 L160 T161 I162 | F59-L146 HydrophobicContact CD2-CD1 3.65Å; F59-L146 HydrophobicContact CE1-CD1 4.34Å; F59-L146 HydrophobicContact CE2-CD1 3.44Å; F59-L146 VanDerWaalsContact CE2-CD1 3.44Å; F59-L146 HydrophobicContact CG-CD1 4.24Å; F59-L146 HydrophobicContact CZ-CD1 3.83Å; F128-L146 WeakPolarHBondContact CA-O 3.48Å; T129-L146 HydrophobicContact CG2-CB 4.24Å; T129-L146 PolarHBondContact N-O 3.4Å; T129-L146 PolarHBondContact O-N 2.8Å; L131-L146 HydrophobicContact CD1-CD1 4.02Å; L136-L146 HydrophobicContact CD1-CD1 4.08Å; L136-L146 HydrophobicContact CD2-CD1 4.31Å; V144-L146 HydrophobicContact CG1-CD2 3.87Å; V144-L146 HydrophobicContact CG1-CG 4.24Å; L146-L148 HydrophobicContact CB-CD1 4.29Å; L146-L160 HydrophobicContact CB-CD1 4.45Å; L146-L160 HydrophobicContact CD2-CD1 4.28Å; L146-T161 CarbonylContact C-O 3.53Å; L146-T161 WeakPolarHBondContact CA-O 3.32Å; L146-I162 HydrophobicContact CD2-CB 3.85Å; L146-I162 HydrophobicContact CD2-CD1 3.87Å; L146-I162 HydrophobicContact CD2-CG1 3.65Å |
| 147 | A | 92.2 | Very high | 86.4 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 20% | 0.198 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V126 L127 F128 T161 | V126-A147 HydrophobicContact CG1-CB 3.96Å; L127-A147 CarbonylContact O-C 3.36Å; L127-A147 VanDerWaalsContact O-CA 3.26Å; L127-A147 WeakPolarHBondContact O-CA 3.42Å; F128-A147 HydrophobicContact CB-CB 4.45Å; A147-T161 PolarHBondContact N-O 3.45Å; A147-T161 PolarHBondContact O-N 3.38Å |
| 148 | L | 91.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.1 | -174.4 | -71.8 | 68.4 | 0 | 0 | 0 | 108.1 | F59 L64 L111 V126 L127 L146 I158 L160 M206 | F59-L148 HydrophobicContact CE1-CD1 3.77Å; F59-L148 HydrophobicContact CE1-CD2 3.73Å; F59-L148 HydrophobicContact CE1-CG 4.07Å; F59-L148 HydrophobicContact CZ-CD1 3.58Å; F59-L148 HydrophobicContact CZ-CD2 3.93Å; F59-L148 HydrophobicContact CZ-CG 4.28Å; L64-L148 HydrophobicContact CD1-CD2 3.86Å; L111-L148 HydrophobicContact CD2-CD2 4.45Å; V126-L148 VanDerWaalsContact CA-O 3.29Å; V126-L148 WeakPolarHBondContact CA-O 3.34Å; L127-L148 HydrophobicContact CB-CB 4.36Å; L127-L148 PolarHBondContact N-O 3.01Å; L127-L148 PolarHBondContact O-N 2.83Å; L146-L148 HydrophobicContact CB-CD1 4.29Å; L148-I158 HydrophobicContact CB-CD1 4.06Å; L148-I158 HydrophobicContact CD2-CD1 3.79Å; L148-I158 HydrophobicContact CG-CD1 3.77Å; L148-L160 HydrophobicContact CD1-CD1 3.78Å; L148-L160 HydrophobicContact CG-CD1 3.98Å; L148-M206 HydrophobicContact CD2-SD 3.64Å |
| 149 | R | 88.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.4 | 170.1 | -177.9 | -170.9 | -82.3 | -163.3 | 1.7 | 108.7 | V126 I158 C159 S181 | V126-R149 HydrophobicContact CG2-CB 3.92Å; V126-R149 HydrophobicContact CG2-CG 4.14Å; R149-I158 WeakPolarHBondContact O-CB 3.49Å; R149-C159 HydrophobicContact CB-CB 4.23Å; R149-C159 PolarHBondContact N-O 3.07Å; R149-C159 PolarHBondContact O-N 3.45Å; R149-S181 PolarHBondContact NH1-O 3.1Å; R149-S181 PolarHBondContact NH2-O 3.24Å |
| 150 | I | 84.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132 | 175.2 | -58.5 | 167.5 | 0 | 0 | 0 | 108.5 | V113 L122 I158 | V113-I150 HydrophobicContact CB-CD1 3.93Å; V113-I150 HydrophobicContact CB-CG1 4.17Å; V113-I150 HydrophobicContact CG1-CD1 3.92Å; V113-I150 HydrophobicContact CG2-CD1 4.37Å; V113-I150 HydrophobicContact CG2-CG1 4.14Å; L122-I150 HydrophobicContact CB-CD1 3.82Å; L122-I150 HydrophobicContact CB-CG2 4.42Å; L122-I150 HydrophobicContact CD1-CD1 4.26Å; L122-I150 HydrophobicContact CD2-CD1 3.69Å; L122-I150 HydrophobicContact CG-CD1 4.13Å; I150-I158 HydrophobicContact CG1-CG2 4.27Å |
| 151 | L | 78.6 | Confident | 87.1 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | trans | -86.3 | 131.6 | 177 | -76.5 | 83.4 | 0 | 0 | 0 | 109.2 | E153 D154 I158 C159 | L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 PolarHBondContact O-N 3.28Å; L151-D154 HydrophobicContact CB-CB 4.33Å; L151-D154 VanDerWaalsContact O-O 3.07Å; L151-I158 VanDerWaalsContact CD1-CA 3.49Å; L151-C159 HydrophobicContact CD1-CB 3.99Å | ||
| 152 | P | 69.4 | Low | 87.3 | Confident | 89 Ų | 89 | 49 Ų | 49 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -71.5 | -20.9 | -176.9 | 26.2 | -33.1 | 0 | 0 | 0 | 113.9 | K123 | K123-P152 HydrophobicContact CD-CB 4.21Å; K123-P152 HydrophobicContact CG-CB 4.24Å |
| 153 | E | 72.6 | Confident | 87.4 | Confident | 198 Ų | 198 | 53 Ų | 53 | 93% | 0.925 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -97.1 | -14 | -178.2 | -65.3 | -174.4 | 160.4 | 0 | 0 | 113.3 | L151 | L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 PolarHBondContact O-N 3.28Å |
| 154 | D | 74.2 | Confident | 87.4 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | trans | -135.9 | 108.2 | -175.1 | -168 | -23.5 | 0 | 0 | 0 | 109.8 | L151 E156 H157 | L151-D154 HydrophobicContact CB-CB 4.33Å; L151-D154 VanDerWaalsContact O-O 3.07Å; D154-E156 WeakPolarHBondContact OD1-CA 3.23Å; D154-E156 PolarHBondContact OD1-N 3.19Å; D154-H157 VanDerWaalsContact CG-ND1 3.26Å; D154-H157 VanDerWaalsContact O-O 3.08Å; D154-H157 IonicContact OD1-CG 3.12Å; D154-H157 PolarHBondContact OD1-N 3.46Å; D154-H157 IonicContact OD1-ND1 3.92Å; D154-H157 PolarHBondContact OD1-ND1 2.89Å; D154-H157 VanDerWaalsContact OD1-ND1 3.12Å; D154-H157 WeakPolarHBondContact OD2-CB 3.18Å; D154-H157 IonicContact OD2-CE1 3.42Å; D154-H157 IonicContact OD2-CG 2.75Å; D154-H157 IonicContact OD2-ND1 3.75Å; D154-H157 PolarHBondContact OD2-ND1 3.44Å | ||
| 155 | S | 77.3 | Confident | 87.3 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 69% | 0.685 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -84.7 | -10.8 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | A112 | A112-S155 VanDerWaalsContact CB-O 3.27Å; A112-S155 WeakPolarHBondContact CB-O 3.17Å |
| 156 | E | 86.2 | Confident | 87 | Confident | 120 Ų | 120 | 47.5 Ų | 47.5 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -96 | -18.2 | -179.3 | -62.4 | -165.2 | 168.9 | 0 | 0 | 112.5 | P110 L111 D154 | P110-E156 CarbonylContact C-O 3.47Å; L111-E156 CarbonylContact C-O 3.38Å; L111-E156 PolarHBondContact N-O 2.81Å; L111-E156 VanDerWaalsContact N-O 3.16Å; D154-E156 WeakPolarHBondContact OD1-CA 3.23Å; D154-E156 PolarHBondContact OD1-N 3.19Å |
| 157 | H | 89.8 | Confident | 86.7 | Confident | 48 Ų | 48 | 53 Ų | 53 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | trans | -122.2 | 150.4 | 177.9 | -54.6 | 82.2 | 0 | 0 | 0 | 112.4 | H108 V109 D154 | H108-H157 VanDerWaalsContact CE1-CB 3.41Å; H108-H157 WeakPolarHBondContact CE1-CB 3.41Å; H108-H157 AromaticContact CE1-CD2 3.6Å; H108-H157 AromaticContact CE1-CG 3.47Å; H108-H157 VanDerWaalsContact CE1-CG 3.47Å; H108-H157 AromaticContact ND1-CD2 4Å; H108-H157 WeakPolarHBondContact NE2-CB 3.05Å; H108-H157 AromaticContact NE2-CG 4Å; V109-H157 VanDerWaalsContact O-CA 3.26Å; V109-H157 WeakPolarHBondContact O-CA 3.33Å; D154-H157 VanDerWaalsContact CG-ND1 3.26Å; D154-H157 VanDerWaalsContact O-O 3.08Å; D154-H157 IonicContact OD1-CG 3.12Å; D154-H157 PolarHBondContact OD1-N 3.46Å; D154-H157 IonicContact OD1-ND1 3.92Å; D154-H157 PolarHBondContact OD1-ND1 2.89Å; D154-H157 VanDerWaalsContact OD1-ND1 3.12Å; D154-H157 WeakPolarHBondContact OD2-CB 3.18Å; D154-H157 IonicContact OD2-CE1 3.42Å; D154-H157 IonicContact OD2-CG 2.75Å; D154-H157 IonicContact OD2-ND1 3.75Å; D154-H157 PolarHBondContact OD2-ND1 3.44Å | ||
| 158 | I | 90.4 | Very high | 86.6 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 167.1 | 169 | 65.1 | 173.3 | 0 | 0 | 0 | 110.8 | V109 L111 V113 L148 R149 I150 L151 | V109-I158 HydrophobicContact CG2-CD1 4.37Å; V109-I158 HydrophobicContact CG2-CG1 3.68Å; V109-I158 PolarHBondContact N-O 3.32Å; V109-I158 PolarHBondContact O-N 3.16Å; L111-I158 HydrophobicContact CB-CD1 4.01Å; L111-I158 HydrophobicContact CB-CG1 3.97Å; L111-I158 HydrophobicContact CD2-CD1 3.61Å; L111-I158 HydrophobicContact CD2-CG1 4.47Å; L111-I158 HydrophobicContact CG-CD1 4.29Å; L111-I158 WeakPolarHBondContact O-CG2 3.02Å; V113-I158 HydrophobicContact CG2-CD1 4.47Å; V113-I158 HydrophobicContact CG2-CG2 3.88Å; L148-I158 HydrophobicContact CB-CD1 4.06Å; L148-I158 HydrophobicContact CD2-CD1 3.79Å; L148-I158 HydrophobicContact CG-CD1 3.77Å; R149-I158 WeakPolarHBondContact O-CB 3.49Å; I150-I158 HydrophobicContact CG1-CG2 4.27Å; L151-I158 VanDerWaalsContact CD1-CA 3.49Å |
| 159 | C | 90.9 | Very high | 86.5 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 111.3 | 162.8 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | R149 L151 C178 | R149-C159 HydrophobicContact CB-CB 4.23Å; R149-C159 PolarHBondContact N-O 3.07Å; R149-C159 PolarHBondContact O-N 3.45Å; L151-C159 HydrophobicContact CD1-CB 3.99Å; C159-C178 WeakPolarHBondContact CA-SG 3.47Å; C159-C178 HydrophobicContact CB-CB 3.85Å; C159-C178 WeakPolarHBondContact CB-SG 3.26Å; C159-C178 WeakPolarHBondContact SG-CB 3.39Å; C159-C178 CovalentContact SG-SG 2.04Å; C159-C178 PolarHBondContact SG-SG 2.89Å |
| 160 | L | 93.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.8 | 174.9 | 179.5 | 66.5 | 0 | 0 | 0 | 109.7 | L56 F59 L107 V109 L146 L148 | L56-L160 HydrophobicContact CD2-CD2 3.69Å; F59-L160 HydrophobicContact CE1-CD1 4.31Å; L107-L160 PolarHBondContact N-O 2.91Å; L107-L160 PolarHBondContact O-N 2.9Å; V109-L160 HydrophobicContact CG1-CB 4.45Å; V109-L160 HydrophobicContact CG2-CB 3.69Å; V109-L160 HydrophobicContact CG2-CD2 4.4Å; L146-L160 HydrophobicContact CB-CD1 4.45Å; L146-L160 HydrophobicContact CD2-CD1 4.28Å; L148-L160 HydrophobicContact CD1-CD1 3.78Å; L148-L160 HydrophobicContact CG-CD1 3.98Å |
| 161 | T | 92.7 | Very high | 86.2 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.6 | 166.7 | -56 | 0 | 0 | 0 | 0 | 109 | D104 L105 H106 L146 A147 | D104-T161 VanDerWaalsContact OD1-CG2 3.25Å; D104-T161 WeakPolarHBondContact OD1-CG2 3.2Å; L105-T161 CarbonylContact O-C 3.49Å; L105-T161 VanDerWaalsContact O-CA 3.25Å; L105-T161 WeakPolarHBondContact O-CA 2.95Å; H106-T161 VanDerWaalsContact CE1-CG2 3.46Å; H106-T161 WeakPolarHBondContact CE1-CG2 2.8Å; H106-T161 WeakPolarHBondContact ND1-CG2 3.18Å; H106-T161 PolarHBondContact ND1-OG1 3.43Å; L146-T161 CarbonylContact C-O 3.53Å; L146-T161 WeakPolarHBondContact CA-O 3.32Å; A147-T161 PolarHBondContact N-O 3.45Å; A147-T161 PolarHBondContact O-N 3.38Å |
| 162 | I | 93.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126 | 177.3 | -177.2 | 167.3 | 0 | 0 | 0 | 110.2 | W52 L55 L105 L107 V144 L146 L169 | W52-I162 HydrophobicContact CH2-CG2 4.08Å; W52-I162 HydrophobicContact CZ3-CG2 4.28Å; L55-I162 HydrophobicContact CD1-CD1 3.92Å; L105-I162 HydrophobicContact CB-CG2 3.8Å; L105-I162 HydrophobicContact CD1-CG2 4.37Å; L105-I162 PolarHBondContact N-O 2.63Å; L105-I162 PolarHBondContact O-N 2.74Å; L107-I162 HydrophobicContact CD1-CG2 3.84Å; V144-I162 HydrophobicContact CG1-CD1 3.79Å; V144-I162 HydrophobicContact CG1-CG1 3.71Å; L146-I162 HydrophobicContact CD2-CB 3.85Å; L146-I162 HydrophobicContact CD2-CD1 3.87Å; L146-I162 HydrophobicContact CD2-CG1 3.65Å; I162-L169 HydrophobicContact CD1-CD2 3.56Å; I162-L169 HydrophobicContact CG1-CD2 3.97Å; I162-L169 HydrophobicContact CG2-CD2 4.42Å |
| 163 | R | 93.6 | Very high | 86.9 | Confident | 137 Ų | 137 | 54.8 Ų | 54.8 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.6 | 176.2 | -172.1 | 174.2 | 177.5 | 178.9 | -0.4 | 110.2 | V102 K103 S145 | V102-R163 HydrophobicContact CG1-CG 3.66Å; K103-R163 WeakPolarHBondContact O-CA 3.07Å; S145-R163 PolarHBondContact N-O 3.32Å; S145-R163 PolarHBondContact O-N 3.44Å |
| 164 | A | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 162.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K103 V144 I168 L169 | K103-A164 PolarHBondContact N-O 2.9Å; K103-A164 PolarHBondContact O-N 3.02Å; K103-A164 VanDerWaalsContact O-N 3.09Å; V144-A164 HydrophobicContact CB-CB 4.5Å; V144-A164 HydrophobicContact CG1-CB 4.19Å; V144-A164 HydrophobicContact CG2-CB 4.01Å; A164-I168 HydrophobicContact CB-CD1 4.17Å; A164-I168 HydrophobicContact CB-CG1 4.39Å; A164-L169 HydrophobicContact CB-CD1 4.26Å; A164-L169 HydrophobicContact CB-CD2 3.88Å; A164-L169 HydrophobicContact CB-CG 3.98Å |
| 165 | P | 91.8 | Very high | 88.3 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 137.8 | 168.5 | -26.7 | 36.9 | 0 | 0 | 0 | 112.4 | E142 H167 I168 | E142-P165 HydrophobicContact CB-CG 4.41Å; P165-H167 PolarHBondContact O-N 2.92Å; P165-H167 VanDerWaalsContact O-N 3.08Å; P165-I168 HydrophobicContact CB-CG1 4.27Å; P165-I168 VanDerWaalsContact O-CG1 3.26Å; P165-I168 WeakPolarHBondContact O-CG1 3.23Å; P165-I168 PolarHBondContact O-N 2.94Å |
| 166 | T | 87.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.6 | -174.4 | 43.4 | 0 | 0 | 0 | 0 | 115.7 | S101 K103 | S101-T166 VanDerWaalsContact O-CG2 3.25Å; S101-T166 WeakPolarHBondContact O-CG2 3.37Å; S101-T166 PolarHBondContact O-N 3.22Å; S101-T166 PolarHBondContact O-OG1 3.01Å; S101-T166 WeakPolarHBondContact OG-CG2 3.04Å; S101-T166 PolarHBondContact OG-OG1 2.88Å; K103-T166 HydrophobicContact CB-CG2 3.87Å; K103-T166 HydrophobicContact CD-CG2 3.52Å; K103-T166 VanDerWaalsContact CE-CG2 3.48Å; K103-T166 HydrophobicContact CG-CG2 3.37Å |
| 167 | H | 88.1 | Confident | 89 | Confident | 121 Ų | 121 | 45.3 Ų | 45.3 | 56% | 0.56 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11.1 | -171.8 | 67.5 | -80.5 | 0 | 0 | 0 | 113.7 | E142 P165 | E142-H167 IonicContact OE1-CE1 3.37Å; E142-H167 PolarHBondContact OE1-CE1 3.48Å; E142-H167 IonicContact OE1-NE2 3.87Å; E142-H167 PolarHBondContact OE1-NE2 3.17Å; E142-H167 IonicContact OE2-CE1 2.96Å; E142-H167 PolarHBondContact OE2-CE1 2.63Å; E142-H167 IonicContact OE2-NE2 3.26Å; E142-H167 PolarHBondContact OE2-NE2 2.71Å; P165-H167 PolarHBondContact O-N 2.92Å; P165-H167 VanDerWaalsContact O-N 3.08Å |
| 168 | I | 89.8 | Confident | 88.8 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -6.3 | 174.7 | 60.9 | 156.4 | 0 | 0 | 0 | 113.2 | A133 E142 V144 A164 P165 | A133-I168 HydrophobicContact CB-CD1 3.7Å; E142-I168 HydrophobicContact CB-CD1 4.1Å; E142-I168 WeakPolarHBondContact OE2-CD1 3.48Å; E142-I168 WeakPolarHBondContact OE2-CG1 3.26Å; E142-I168 WeakPolarHBondContact OE2-CG2 3.26Å; V144-I168 HydrophobicContact CG2-CD1 3.88Å; A164-I168 HydrophobicContact CB-CD1 4.17Å; A164-I168 HydrophobicContact CB-CG1 4.39Å; P165-I168 HydrophobicContact CB-CG1 4.27Å; P165-I168 VanDerWaalsContact O-CG1 3.26Å; P165-I168 WeakPolarHBondContact O-CG1 3.23Å; P165-I168 PolarHBondContact O-N 2.94Å |
| 169 | L | 89.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -79.2 | 137.9 | 177.9 | -75.2 | 171.7 | 0 | 0 | 0 | 109.9 | W52 K103 L105 I162 A164 I171 | W52-L169 HydrophobicContact CH2-CD2 4.35Å; K103-L169 HydrophobicContact CB-CD1 3.84Å; L105-L169 HydrophobicContact CD1-CD1 4Å; I162-L169 HydrophobicContact CD1-CD2 3.56Å; I162-L169 HydrophobicContact CG1-CD2 3.97Å; I162-L169 HydrophobicContact CG2-CD2 4.42Å; A164-L169 HydrophobicContact CB-CD1 4.26Å; A164-L169 HydrophobicContact CB-CD2 3.88Å; A164-L169 HydrophobicContact CB-CG 3.98Å; L169-I171 PolarHBondContact O-N 3.42Å |
| 170 | P | 88.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | trans | -59.5 | 129.2 | 175.3 | -20 | 31.6 | 0 | 0 | 0 | 110.3 | W52 L55 L138 | W52-P170 HydrophobicContact CD2-CB 4.15Å; W52-P170 HydrophobicContact CD2-CG 4.12Å; W52-P170 HydrophobicContact CE3-CG 4.46Å; W52-P170 HydrophobicContact CG-CB 4.13Å; W52-P170 HydrophobicContact CG-CG 4.41Å; W52-P170 HydrophobicContact CZ2-CB 4.41Å; W52-P170 HydrophobicContact CZ2-CG 4.46Å; W52-P170 PolarHBondContact NE1-O 2.94Å; L55-P170 HydrophobicContact CD1-CG 4.09Å; L138-P170 HydrophobicContact CD2-CG 3.63Å | ||
| 171 | I | 79.5 | Confident | 85.5 | Confident | 141 Ų | 141 | 60.2 Ų | 60.2 | 72% | 0.723 | 33% | 0.325 | S | S | * | . | trans | -79.5 | -40.3 | -167.9 | -59.2 | 172 | 0 | 0 | 0 | 110.8 | L169 V174 | L169-I171 PolarHBondContact O-N 3.42Å; I171-V174 WeakPolarHBondContact O-CG2 3.5Å | ||
| 172 | T | 78.6 | Confident | 83.8 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -163.4 | 155.5 | -176.2 | 44.9 | 0 | 0 | 0 | 0 | 112.8 | V216 | T172-V216 WeakPolarHBondContact O-CG2 3.25Š|
| 173 | P | 83.6 | Confident | 82.2 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | S | Bend | cis | -77.6 | 131.4 | -10.5 | 24.6 | -24.3 | 0 | 0 | 0 | 111 | S213 L214 | P173-S213 WeakPolarHBondContact CB-O 3.18Å; P173-S213 WeakPolarHBondContact CG-O 3.44Å; P173-L214 WeakPolarHBondContact CD-O 3.03Å; P173-L214 VanDerWaalsContact CG-C 3.45Å |
| 174 | V | 86.8 | Confident | 80.6 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 44% | 0.436 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 133.9 | -175.7 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | W52 L107 I171 | W52-V174 HydrophobicContact CZ2-CG1 4.43Å; L107-V174 HydrophobicContact CD2-CG1 3.76Å; I171-V174 WeakPolarHBondContact O-CG2 3.5Å |
| 175 | P | 89.7 | Confident | 79.8 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.032 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 153.9 | 174.9 | -20 | 27.5 | 0 | 0 | 0 | 112.1 | W52 L107 H108 V109 L214 | W52-P175 HydrophobicContact CB-CG 4.35Å; W52-P175 HydrophobicContact CD2-CG 3.94Å; W52-P175 HydrophobicContact CE3-CG 4.23Å; W52-P175 HydrophobicContact CG-CG 3.99Å; L107-P175 HydrophobicContact CB-CB 4.14Å; L107-P175 HydrophobicContact CB-CG 4.37Å; L107-P175 HydrophobicContact CD1-CG 4.3Å; L107-P175 HydrophobicContact CD2-CB 4.26Å; L107-P175 HydrophobicContact CD2-CG 4.41Å; H108-P175 WeakPolarHBondContact O-CB 3.45Å; V109-P175 HydrophobicContact CG1-CB 4.04Å; V109-P175 HydrophobicContact CG1-CG 4.02Å; P175-L214 HydrophobicContact CB-CD2 3.95Å; P175-L214 HydrophobicContact CG-CD1 4.28Å; P175-L214 HydrophobicContact CG-CD2 3.76Å |
| 176 | P | 89.9 | Confident | 79.2 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -55 | 145.6 | 175.8 | -23.2 | 33 | 0 | 0 | 0 | 111.9 | H108 | H108-P176 HydrophobicContact CB-CB 4.37Å; H108-P176 WeakPolarHBondContact CB-O 3.4Å; H108-P176 PolarHBondContact N-O 3.34Å |
| 177 | S | 88.2 | Confident | 79.1 | Confident | 103 Ų | 103 | 83.6 Ų | 83.6 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | B | Isolated β-bridge | trans | -74.9 | 139.5 | 178.2 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | H106 | H106-S177 CarbonylContact O-C 3.51Å; H106-S177 WeakPolarHBondContact O-CA 3.35Å |
| 178 | C | 87 | Confident | 79 | Confident | 23 Ų | 23 | 78.9 Ų | 78.9 | 16% | 0.155 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 150.9 | 167.3 | -37.5 | 0 | 0 | 0 | 0 | 111.9 | H106 L107 H108 C159 | H106-C178 PolarHBondContact O-N 2.79Å; L107-C178 PolarHBondContact O-SG 3.49Å; H108-C178 PolarHBondContact N-SG 2.68Å; H108-C178 VanDerWaalsContact N-SG 3.38Å; C159-C178 WeakPolarHBondContact CA-SG 3.47Å; C159-C178 HydrophobicContact CB-CB 3.85Å; C159-C178 WeakPolarHBondContact CB-SG 3.26Å; C159-C178 WeakPolarHBondContact SG-CB 3.39Å; C159-C178 CovalentContact SG-SG 2.04Å; C159-C178 PolarHBondContact SG-SG 2.89Å |
| 179 | Y | 76.1 | Confident | 79 | Confident | 215 Ų | 215 | 81.1 Ų | 81.1 | 84% | 0.843 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 121.6 | 162.9 | -169.7 | -99.7 | 0 | 0 | 0 | 110.6 | S181 | Y179-S181 PolarHBondContact O-N 3.35Š|
| 180 | V | 65.4 | Low | 79 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 40% | 0.4 | 44% | 0.442 | S | S | . | . | trans | -89.5 | 101.2 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 109 | H106 | H106-V180 HydrophobicContact CB-CG2 4.26Š| ||
| 181 | S | 63.3 | Low | 79.2 | Confident | 67 Ų | 67 | 86.6 Ų | 86.6 | 47% | 0.469 | 47% | 0.466 | S | S | . | . | trans | -80.4 | 129.1 | 166.2 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | R149 Y179 S183 | R149-S181 PolarHBondContact NH1-O 3.1Å; R149-S181 PolarHBondContact NH2-O 3.24Å; Y179-S181 PolarHBondContact O-N 3.35Å; S181-S183 VanDerWaalsContact C-N 3.29Å; S181-S183 PolarHBondContact O-N 3Å | ||
| 182 | E | 56.4 | Low | 79.7 | Confident | 187 Ų | 187 | 81.4 Ų | 81.4 | 87% | 0.874 | 44% | 0.441 | S | S | * | . | trans | -76.4 | 75.2 | 172.8 | -69.8 | -170.4 | 160.1 | 0 | 0 | 110.2 | ||||
| 183 | S | 59.1 | Low | 80 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | trans | -90.3 | 154.7 | 161.5 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | S181 I185 | S181-S183 VanDerWaalsContact C-N 3.29Å; S181-S183 PolarHBondContact O-N 3Å; S183-I185 PolarHBondContact O-N 3.04Å; S183-I185 WeakPolarHBondContact OG-CD1 3.49Å; S183-I185 WeakPolarHBondContact OG-CG1 3.41Å | ||
| 184 | N | 60.8 | Low | 80.1 | Confident | 177 Ų | 177 | 83.5 Ų | 83.5 | 95% | 0.947 | 45% | 0.449 | S | S | * | . | trans | -64.6 | 80.5 | 173.9 | -73.1 | -42.2 | 0 | 0 | 0 | 110 | ||||
| 185 | I | 75.8 | Confident | 79.6 | Confident | 27 Ų | 27 | 87.4 Ų | 87.4 | 14% | 0.138 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -99.4 | 132.7 | -174.5 | -73.2 | 157.5 | 0 | 0 | 0 | 110.3 | D124 V126 S183 R187 | D124-I185 HydrophobicContact CB-CG1 4.43Å; D124-I185 WeakPolarHBondContact O-CG2 3.43Å; V126-I185 HydrophobicContact CB-CG2 3.9Å; V126-I185 HydrophobicContact CG2-CG2 3.38Å; S183-I185 PolarHBondContact O-N 3.04Å; S183-I185 WeakPolarHBondContact OG-CD1 3.49Å; S183-I185 WeakPolarHBondContact OG-CG1 3.41Å; I185-R187 PolarHBondContact O-N 3.07Å |
| 186 | S | 80.4 | Confident | 78.7 | Confident | 72 Ų | 72 | 92.2 Ų | 92.2 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.5 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 110 | D124 V126 | D124-S186 PolarHBondContact O-N 3.2Å; D124-S186 VanDerWaalsContact O-N 3.13Å; V126-S186 PolarHBondContact N-O 3.35Å |
| 187 | R | 84.7 | Confident | 77.7 | Confident | 191 Ų | 191 | 90.1 Ų | 90.1 | 72% | 0.721 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.4 | 174.7 | -72.5 | -174.7 | 172.4 | 95.7 | -3.4 | 109.3 | V126 F128 I185 | V126-R187 HydrophobicContact CB-CG 4.26Å; V126-R187 HydrophobicContact CG1-CG 4.34Å; V126-R187 CarbonylContact O-C 3.57Å; V126-R187 WeakPolarHBondContact O-CA 3.49Å; F128-R187 HydrophobicContact CD1-CB 4.07Å; F128-R187 HydrophobicContact CE1-CB 4.14Å; I185-R187 PolarHBondContact O-N 3.07Å |
| 188 | V | 86.8 | Confident | 76.4 | Confident | 23 Ų | 23 | 90.8 Ų | 90.8 | 14% | 0.139 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 117.9 | -176 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | E66 I125 V126 L127 F128 V190 | E66-V188 HydrophobicContact CB-CG1 4.35Å; E66-V188 HydrophobicContact CG-CG1 3.75Å; I125-V188 HydrophobicContact CG2-CB 4.28Å; I125-V188 HydrophobicContact CG2-CG2 3.79Å; V126-V188 PolarHBondContact O-N 2.99Å; L127-V188 HydrophobicContact CD2-CB 4.2Å; F128-V188 VanDerWaalsContact CD1-C 3.4Å; F128-V188 VanDerWaalsContact CD1-O 3.25Å; F128-V188 WeakPolarHBondContact CD1-O 3.36Å; F128-V188 PolarHBondContact N-O 3.01Å; V188-V190 HydrophobicContact CG1-CG1 4.37Å; V188-V190 PolarHBondContact O-N 3.43Å |
| 189 | P | 89.3 | Confident | 75.3 | Confident | 58 Ų | 58 | 92.7 Ų | 92.7 | 38% | 0.377 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 127.4 | 173.9 | 21.1 | -24.9 | 0 | 0 | 0 | 109.5 | K67 F128 | K67-P189 PolarHBondContact N-O 3.29Å; F128-P189 HydrophobicContact CE1-CB 3.74Å; F128-P189 VanDerWaalsContact CE1-CD 3.49Å; F128-P189 HydrophobicContact CE1-CG 4.11Å; F128-P189 HydrophobicContact CE2-CB 3.76Å; F128-P189 VanDerWaalsContact CZ-CA 3.45Å; F128-P189 HydrophobicContact CZ-CB 3.31Å; F128-P189 HydrophobicContact CZ-CG 3.91Å |
| 190 | V | 90.1 | Very high | 74.9 | Confident | 10 Ų | 10 | 88.3 Ų | 88.3 | 6% | 0.061 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.8 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | L64 C65 L127 F128 T129 V188 Y204 | L64-V190 HydrophobicContact CB-CB 3.95Å; L64-V190 HydrophobicContact CB-CG1 4.38Å; L64-V190 HydrophobicContact CB-CG2 3.77Å; L64-V190 HydrophobicContact CD1-CG2 4.17Å; L64-V190 HydrophobicContact CD2-CG2 4.12Å; L64-V190 HydrophobicContact CG-CG2 4.23Å; C65-V190 CarbonylContact O-C 3.54Å; C65-V190 VanDerWaalsContact O-CA 3.25Å; C65-V190 WeakPolarHBondContact O-CA 3.27Å; L127-V190 HydrophobicContact CB-CG1 4.26Å; L127-V190 HydrophobicContact CB-CG2 4.18Å; L127-V190 HydrophobicContact CD2-CG1 3.89Å; F128-V190 WeakPolarHBondContact O-CG2 3.35Å; F128-V190 PolarHBondContact O-N 3.26Å; T129-V190 WeakPolarHBondContact CB-O 3.43Å; T129-V190 PolarHBondContact OG1-O 2.91Å; V188-V190 HydrophobicContact CG1-CG1 4.37Å; V188-V190 PolarHBondContact O-N 3.43Å; V190-Y204 HydrophobicContact CG1-CD2 4.43Å; V190-Y204 HydrophobicContact CG1-CE2 4.36Å |
| 191 | E | 91.1 | Very high | 75.6 | Confident | 122 Ų | 122 | 87.2 Ų | 87.2 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 142.3 | 170.8 | -173.2 | 166.8 | -172.7 | 0 | 0 | 109.9 | L64 C65 | L64-E191 WeakPolarHBondContact CA-O 3.19Å; C65-E191 PolarHBondContact N-O 3.14Å; C65-E191 PolarHBondContact O-N 3.43Å |
| 192 | V | 90.1 | Very high | 76.6 | Confident | 32 Ų | 32 | 85.6 Ų | 85.6 | 19% | 0.194 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.7 | -178.9 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | F62 L64 T129 L131 | F62-V192 HydrophobicContact CB-CG1 3.66Å; F62-V192 HydrophobicContact CD1-CG1 3.37Å; F62-V192 HydrophobicContact CD2-CG1 4.27Å; F62-V192 HydrophobicContact CE1-CG1 4.08Å; F62-V192 HydrophobicContact CG-CG1 3.49Å; F62-V192 VanDerWaalsContact CG-CG1 3.49Å; L64-V192 HydrophobicContact CD2-CG2 3.61Å; T129-V192 HydrophobicContact CG2-CG2 3.92Å; T129-V192 WeakPolarHBondContact OG1-CG2 3.49Å; L131-V192 HydrophobicContact CD1-CG2 4.27Å; L131-V192 HydrophobicContact CD2-CB 3.9Å; L131-V192 HydrophobicContact CD2-CG1 3.8Å; L131-V192 HydrophobicContact CD2-CG2 3.74Å; L131-V192 HydrophobicContact CG-CG2 4.06Å |
| 193 | T | 86.5 | Confident | 78.2 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 27% | 0.27 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.4 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | H63 Q195 | H63-T193 HydrophobicContact CB-CG2 3.78Å; H63-T193 PolarHBondContact N-O 2.93Å; H63-T193 PolarHBondContact O-N 3.04Å; T193-Q195 WeakPolarHBondContact CG2-O 3.26Å; T193-Q195 PolarHBondContact OG1-N 2.68Å; T193-Q195 PolarHBondContact OG1-O 2.97Å |
| 194 | N | 83.9 | Confident | 79.6 | Confident | 118 Ų | 118 | 74.3 Ų | 74.3 | 63% | 0.631 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -87.6 | -11.7 | 175.7 | -64.5 | -55.1 | 0 | 0 | 0 | 112.9 | F62 | F62-N194 WeakPolarHBondContact CD1-OD1 3.47Å; F62-N194 WeakPolarHBondContact CE1-OD1 3.18Å |
| 195 | Q | 77.4 | Confident | 81 | Confident | 154 Ų | 154 | 67.7 Ų | 67.7 | 72% | 0.72 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -135 | 142.3 | -178.2 | -74.4 | 177.4 | -8.5 | 0 | 0 | 109.8 | T193 P197 | T193-Q195 WeakPolarHBondContact CG2-O 3.26Å; T193-Q195 PolarHBondContact OG1-N 2.68Å; T193-Q195 PolarHBondContact OG1-O 2.97Å; Q195-P197 WeakPolarHBondContact O-CD 3.42Å |
| 196 | L | 71.1 | Confident | 81.8 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 55% | 0.55 | 38% | 0.383 | S | S | . | . | trans | -64.3 | 119.8 | 175.3 | -163.9 | 70.2 | 0 | 0 | 0 | 108.9 | C203 | L196-C203 HydrophobicContact CD1-CB 3.87Š| ||
| 197 | P | 68.7 | Low | 82.4 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | trans | -67.6 | 147.7 | -177.8 | 26.1 | -31.6 | 0 | 0 | 0 | 110.8 | C65 Q195 S199 C203 | C65-P197 VanDerWaalsContact SG-CD 3.59Å; C65-P197 VanDerWaalsContact SG-CG 3.58Å; Q195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-S199 PolarHBondContact O-N 3.3Å; P197-C203 WeakPolarHBondContact CD-SG 3.43Å; P197-C203 WeakPolarHBondContact CG-SG 3.38Å | ||
| 198 | A | 60.5 | Low | 82.8 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 96% | 0.959 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -79.3 | -2.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 199 | S | 64.1 | Low | 82.9 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -82 | 164.2 | -179.9 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | P197 Q201 | P197-S199 PolarHBondContact O-N 3.3Å; S199-Q201 PolarHBondContact O-N 2.63Å; S199-Q201 WeakPolarHBondContact OG-CB 3.34Å |
| 200 | S | 67.4 | Low | 82.8 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 87% | 0.867 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -70.8 | 20.6 | 175.2 | 55 | 0 | 0 | 0 | 0 | 114.4 | ||
| 201 | Q | 80.4 | Confident | 82.7 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 20% | 0.201 | 40% | 0.402 | C | S | . | . | trans | -79.5 | 137.2 | -176.3 | -171.4 | 178.7 | -5.2 | 0 | 0 | 110.3 | C65 E66 S199 C203 | C65-Q201 HydrophobicContact CB-CG 4.27Å; E66-Q201 VanDerWaalsContact O-CD 3.29Å; E66-Q201 VanDerWaalsContact O-CG 3.29Å; E66-Q201 WeakPolarHBondContact O-CG 3.29Å; E66-Q201 PolarHBondContact O-NE2 3.43Å; S199-Q201 PolarHBondContact O-N 2.63Å; S199-Q201 WeakPolarHBondContact OG-CB 3.34Å; Q201-C203 PolarHBondContact O-N 2.83Å | ||
| 202 | T | 85 | Confident | 82.3 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | trans | -69.2 | 125.1 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 109.1 | C65 E66 Y204 | C65-T202 WeakPolarHBondContact CA-O 3.48Å; E66-T202 HydrophobicContact CG-CG2 4.48Å; E66-T202 PolarHBondContact N-O 3.21Å; T202-Y204 HydrophobicContact CG2-CE1 4.27Å; T202-Y204 HydrophobicContact CG2-CE2 4.31Å | ||
| 203 | C | 89.1 | Confident | 82 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.014 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.1 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | L64 C65 S116 L196 P197 Q201 | L64-C203 CarbonylContact O-C 3.57Å; L64-C203 VanDerWaalsContact O-CA 3.28Å; L64-C203 WeakPolarHBondContact O-CA 3.49Å; C65-C203 HydrophobicContact CB-CB 4.12Å; C65-C203 WeakPolarHBondContact CB-SG 3.24Å; C65-C203 WeakPolarHBondContact SG-CB 3.36Å; C65-C203 CovalentContact SG-SG 2.04Å; C65-C203 PolarHBondContact SG-SG 3.31Å; S116-C203 PolarHBondContact N-O 3.42Å; S116-C203 PolarHBondContact OG-N 3.25Å; S116-C203 PolarHBondContact OG-O 3.3Å; L196-C203 HydrophobicContact CD1-CB 3.87Å; P197-C203 WeakPolarHBondContact CD-SG 3.43Å; P197-C203 WeakPolarHBondContact CG-SG 3.38Å; Q201-C203 PolarHBondContact O-N 2.83Å |
| 204 | Y | 88.8 | Confident | 82 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.4 | 179.9 | -51.4 | -82.6 | 0 | 0 | 0 | 108.6 | H63 L64 E66 V113 I114 L122 L127 V190 T202 | H63-Y204 WeakPolarHBondContact CA-O 3.39Å; L64-Y204 HydrophobicContact CB-CD2 4.45Å; L64-Y204 PolarHBondContact N-O 2.72Å; L64-Y204 VanDerWaalsContact O-CD2 3.29Å; L64-Y204 WeakPolarHBondContact O-CD2 3.31Å; L64-Y204 PolarHBondContact O-N 3.46Å; E66-Y204 HydrophobicContact CG-CE2 3.98Å; E66-Y204 PolarHBondContact OE1-OH 2.86Å; V113-Y204 HydrophobicContact CG1-CD1 4.16Å; V113-Y204 HydrophobicContact CG1-CG 4.38Å; I114-Y204 CarbonylContact O-C 3.51Å; I114-Y204 VanDerWaalsContact O-CA 3.29Å; I114-Y204 WeakPolarHBondContact O-CA 3.34Å; L122-Y204 HydrophobicContact CD2-CD1 3.91Å; L122-Y204 HydrophobicContact CD2-CE1 3.55Å; L127-Y204 HydrophobicContact CD1-CD1 4.19Å; L127-Y204 HydrophobicContact CD1-CD2 3.51Å; L127-Y204 HydrophobicContact CD1-CE2 3.96Å; L127-Y204 HydrophobicContact CD1-CG 3.63Å; L127-Y204 HydrophobicContact CD2-CD2 3.88Å; L127-Y204 HydrophobicContact CD2-CE2 3.43Å; L127-Y204 VanDerWaalsContact CD2-CE2 3.43Å; L127-Y204 HydrophobicContact CG-CD2 4.35Å; L127-Y204 HydrophobicContact CG-CE2 4.35Å; V190-Y204 HydrophobicContact CG1-CD2 4.43Å; V190-Y204 HydrophobicContact CG1-CE2 4.36Å; T202-Y204 HydrophobicContact CG2-CE1 4.27Å; T202-Y204 HydrophobicContact CG2-CE2 4.31Å |
| 205 | S | 90.9 | Very high | 82 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 153.5 | 166.2 | 59.9 | 0 | 0 | 0 | 0 | 109.6 | V113 I114 | V113-S205 WeakPolarHBondContact CA-O 3.41Å; I114-S205 PolarHBondContact N-O 3.03Å; I114-S205 PolarHBondContact O-N 3.3Å |
| 206 | M | 91.6 | Very high | 82.3 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.069 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.6 | -178.9 | -66.4 | 169.2 | -70.2 | 0 | 0 | 109.1 | F59 F62 L64 L111 A112 V113 L148 | F59-M206 HydrophobicContact CD1-CE 4.41Å; F59-M206 HydrophobicContact CD1-SD 4.01Å; F59-M206 HydrophobicContact CD2-CE 4.43Å; F59-M206 HydrophobicContact CE1-CE 4.13Å; F59-M206 HydrophobicContact CE1-SD 3.48Å; F59-M206 WeakPolarHBondContact CE1-SD 3.29Å; F59-M206 HydrophobicContact CE2-CE 4.11Å; F59-M206 HydrophobicContact CE2-SD 4.47Å; F59-M206 HydrophobicContact CZ-CE 3.93Å; F59-M206 HydrophobicContact CZ-SD 3.71Å; F59-M206 WeakPolarHBondContact O-CE 3.28Å; F62-M206 HydrophobicContact CB-CE 4.43Å; F62-M206 WeakPolarHBondContact O-CE 3.5Å; L64-M206 HydrophobicContact CD1-CE 4.01Å; L64-M206 HydrophobicContact CD1-SD 3.94Å; L64-M206 HydrophobicContact CD2-CE 4.32Å; L64-M206 HydrophobicContact CG-CE 3.88Å; L64-M206 HydrophobicContact CG-SD 4.44Å; L111-M206 HydrophobicContact CD1-CB 4.05Å; L111-M206 HydrophobicContact CD2-CB 4.11Å; L111-M206 HydrophobicContact CD2-CG 4.03Å; L111-M206 HydrophobicContact CD2-SD 3.69Å; L111-M206 HydrophobicContact CG-CB 4.06Å; L111-M206 HydrophobicContact CG-CG 4.41Å; A112-M206 CarbonylContact O-C 3.5Å; A112-M206 VanDerWaalsContact O-CA 3.26Å; A112-M206 WeakPolarHBondContact O-CA 3.39Å; V113-M206 HydrophobicContact CG2-CG 4.34Å; L148-M206 HydrophobicContact CD2-SD 3.64Å |
| 207 | H | 92.1 | Very high | 82.9 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115.7 | 174.6 | -175 | -85.2 | 0 | 0 | 0 | 109.2 | A112 | A112-H207 HydrophobicContact CB-CB 4.38Å; A112-H207 PolarHBondContact N-O 2.95Å; A112-H207 PolarHBondContact O-N 2.94Å |
| 208 | F | 93 | Very high | 83.7 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.8 | -179.9 | 178.6 | -117.3 | 0 | 0 | 0 | 111.4 | N53 L56 L57 P110 L111 K210 | N53-F208 HydrophobicContact CB-CE1 4.47Å; N53-F208 HydrophobicContact CB-CZ 4.4Å; N53-F208 WeakPolarHBondContact O-CE1 3.45Å; N53-F208 VanDerWaalsContact OD1-CZ 3.23Å; N53-F208 WeakPolarHBondContact OD1-CZ 3.44Å; L56-F208 HydrophobicContact CB-CD1 4.44Å; L56-F208 HydrophobicContact CB-CD2 3.7Å; L56-F208 HydrophobicContact CB-CE1 4.15Å; L56-F208 HydrophobicContact CB-CE2 3.38Å; L56-F208 HydrophobicContact CB-CG 4.22Å; L56-F208 HydrophobicContact CB-CZ 3.61Å; L56-F208 HydrophobicContact CD1-CD2 4.48Å; L56-F208 HydrophobicContact CD1-CE2 3.63Å; L56-F208 HydrophobicContact CD1-CZ 4.08Å; L56-F208 HydrophobicContact CG-CE2 4.13Å; L57-F208 HydrophobicContact CB-CD1 3.74Å; L57-F208 HydrophobicContact CB-CE1 3.94Å; L57-F208 HydrophobicContact CD1-CD1 4.04Å; L57-F208 HydrophobicContact CG-CD1 4.5Å; P110-F208 HydrophobicContact CG-CE2 3.94Å; P110-F208 VanDerWaalsContact O-CD2 3.23Å; P110-F208 WeakPolarHBondContact O-CD2 3.34Å; L111-F208 HydrophobicContact CD1-CB 3.62Å; L111-F208 HydrophobicContact CD1-CD2 4.04Å; L111-F208 HydrophobicContact CD1-CG 4.28Å; F208-K210 HydrophobicContact CE1-CB 4.49Å; F208-K210 HydrophobicContact CE1-CG 3.93Å |
| 209 | R | 89.6 | Confident | 84.9 | Confident | 181 Ų | 181 | 58.9 Ų | 58.9 | 68% | 0.683 | 32% | 0.32 | S | S | * | . | trans | -111.2 | 123.5 | 168.9 | -171.7 | 176.7 | -178.7 | 179.7 | -0.4 | 108.7 | P110 D211 | P110-R209 PolarHBondContact O-N 3.03Å; R209-D211 PolarHBondContact O-N 2.97Å | ||
| 210 | K | 88.2 | Confident | 85.9 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | trans | -57.4 | 132.8 | 175.8 | -71.9 | -175.2 | 178.7 | -176.1 | 0 | 110.3 | F208 | F208-K210 HydrophobicContact CE1-CB 4.49Å; F208-K210 HydrophobicContact CE1-CG 3.93Å | ||
| 211 | D | 86.3 | Confident | 86.9 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | trans | -114.1 | 116.5 | 177.6 | -179.5 | -8.1 | 0 | 0 | 0 | 109.2 | N53 P110 R209 S213 L214 | N53-D211 PolarHBondContact ND2-O 3.47Å; N53-D211 PolarHBondContact OD1-N 3.27Å; N53-D211 VanDerWaalsContact OD1-N 3.1Å; N53-D211 PolarHBondContact OD1-O 2.95Å; P110-D211 HydrophobicContact CG-CB 4Å; R209-D211 PolarHBondContact O-N 2.97Å; D211-S213 PolarHBondContact O-N 3.37Å; D211-S213 VanDerWaalsContact O-N 3.16Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.42Å; D211-S213 PolarHBondContact OD1-N 2.92Å; D211-S213 PolarHBondContact OD1-OG 3.2Å; D211-S213 PolarHBondContact OD2-OG 3.5Å; D211-L214 HydrophobicContact CB-CB 4.48Å; D211-L214 HydrophobicContact CB-CD1 4.09Å; D211-L214 HydrophobicContact CB-CG 4Å; D211-L214 WeakPolarHBondContact O-CB 3.45Å; D211-L214 PolarHBondContact O-N 2.97Å | ||
| 212 | P | 83.7 | Confident | 87.3 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -62.3 | -20.3 | 179.6 | 27.7 | -35.3 | 0 | 0 | 0 | 113.1 | L214 T215 | P212-L214 PolarHBondContact O-N 3.35Å; P212-T215 PolarHBondContact O-N 3.03Å |
| 213 | S | 84.3 | Confident | 87.5 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -69.6 | -15.6 | 174.7 | 80.7 | 0 | 0 | 0 | 0 | 113.4 | P173 D211 | P173-S213 WeakPolarHBondContact CB-O 3.18Å; P173-S213 WeakPolarHBondContact CG-O 3.44Å; D211-S213 PolarHBondContact O-N 3.37Å; D211-S213 VanDerWaalsContact O-N 3.16Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.42Å; D211-S213 PolarHBondContact OD1-N 2.92Å; D211-S213 PolarHBondContact OD1-OG 3.2Å; D211-S213 PolarHBondContact OD2-OG 3.5Å |
| 214 | L | 85.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -98.3 | 2.7 | 179.7 | -59.7 | -173.3 | 0 | 0 | 0 | 113.8 | W52 L56 P110 P173 P175 D211 P212 | W52-L214 HydrophobicContact CB-CB 4.25Å; W52-L214 HydrophobicContact CB-CD1 4.43Å; L56-L214 HydrophobicContact CD1-CD1 3.99Å; P110-L214 HydrophobicContact CG-CD1 4.44Å; P173-L214 WeakPolarHBondContact CD-O 3.03Å; P173-L214 VanDerWaalsContact CG-C 3.45Å; P175-L214 HydrophobicContact CB-CD2 3.95Å; P175-L214 HydrophobicContact CG-CD1 4.28Å; P175-L214 HydrophobicContact CG-CD2 3.76Å; D211-L214 HydrophobicContact CB-CB 4.48Å; D211-L214 HydrophobicContact CB-CD1 4.09Å; D211-L214 HydrophobicContact CB-CG 4Å; D211-L214 WeakPolarHBondContact O-CB 3.45Å; D211-L214 PolarHBondContact O-N 2.97Å; P212-L214 PolarHBondContact O-N 3.35Å |
| 215 | T | 84.3 | Confident | 87.8 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 16% | 0.16 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -116.8 | 136.1 | 175.3 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | P44 D51 N53 P212 M217 | P44-T215 HydrophobicContact CB-CG2 3.76Å; D51-T215 PolarHBondContact OD2-OG1 2.77Å; N53-T215 PolarHBondContact ND2-OG1 3.22Å; P212-T215 PolarHBondContact O-N 3.03Å; T215-M217 HydrophobicContact CG2-SD 4.09Å; T215-M217 PolarHBondContact O-N 2.99Å |
| 216 | V | 84.3 | Confident | 87.8 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 24% | 0.242 | 38% | 0.378 | C | S | . | . | trans | -70.8 | 114.3 | 169.7 | -177 | 0 | 0 | 0 | 0 | 107.8 | N45 I48 T172 | N45-V216 HydrophobicContact CB-CB 4.4Å; N45-V216 HydrophobicContact CB-CG1 4.16Å; N45-V216 WeakPolarHBondContact CB-O 3.25Å; N45-V216 PolarHBondContact N-O 3.29Å; I48-V216 HydrophobicContact CG1-CB 4.08Å; I48-V216 HydrophobicContact CG1-CG2 4.23Å; T172-V216 WeakPolarHBondContact O-CG2 3.25Å | ||
| 217 | M | 84.2 | Confident | 87.8 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 34% | 0.335 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -85.6 | 150.7 | 173.1 | -56.7 | -58.9 | -111.4 | 0 | 0 | 109.8 | S42 L43 P44 T215 | S42-M217 WeakPolarHBondContact O-CE 3.38Å; L43-M217 CarbonylContact O-C 3.58Å; L43-M217 WeakPolarHBondContact O-CA 3.34Å; P44-M217 HydrophobicContact CB-SD 4.37Å; T215-M217 HydrophobicContact CG2-SD 4.09Å; T215-M217 PolarHBondContact O-N 2.99Å |
| 218 | L | 84.4 | Confident | 88 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 141.6 | 167.9 | -78.2 | 164.1 | 0 | 0 | 0 | 109.7 | L43 N45 E222 | L43-L218 HydrophobicContact CB-CD1 4Å; L43-L218 PolarHBondContact O-N 3.42Å; N45-L218 HydrophobicContact CB-CD2 4.48Å; N45-L218 HydrophobicContact CB-CG 4.44Å; L218-E222 HydrophobicContact CD2-CB 3.89Å |
| 219 | T | 86.3 | Confident | 88.1 | Confident | 62 Ų | 62 | 77 Ų | 77 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 156.7 | 171.5 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | E221 E222 Q223 | T219-E221 PolarHBondContact O-N 3.48Å; T219-E222 WeakPolarHBondContact CB-OE2 3.41Å; T219-E222 WeakPolarHBondContact CG2-OE2 3.31Å; T219-E222 PolarHBondContact N-OE2 2.96Å; T219-E222 PolarHBondContact O-N 2.88Å; T219-E222 WeakPolarHBondContact OG1-CB 3.37Å; T219-E222 WeakPolarHBondContact OG1-CG 3.38Å; T219-E222 PolarHBondContact OG1-N 3.41Å; T219-E222 PolarHBondContact OG1-OE2 3.32Å; T219-Q223 VanDerWaalsContact O-CB 3.26Å; T219-Q223 WeakPolarHBondContact O-CB 3.48Å; T219-Q223 PolarHBondContact O-N 2.96Å |
| 220 | M | 84.9 | Confident | 88.3 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 71% | 0.714 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.1 | -28.8 | 176.6 | -69.3 | -65.6 | -171.5 | 0 | 0 | 112.3 | G224 | M220-G224 WeakPolarHBondContact O-CA 3.46Å; M220-G224 PolarHBondContact O-N 2.88Å |
| 221 | E | 88.4 | Confident | 88.7 | Confident | 157 Ų | 157 | 66.5 Ų | 66.5 | 73% | 0.734 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.9 | -51.2 | 178.5 | -68.1 | 145.1 | -165.1 | 0 | 0 | 111.2 | T219 Q223 G224 V225 | T219-E221 PolarHBondContact O-N 3.48Å; E221-Q223 VanDerWaalsContact C-N 3.35Å; E221-Q223 PolarHBondContact O-N 2.93Å; E221-G224 PolarHBondContact O-N 3.47Å; E221-V225 WeakPolarHBondContact O-CG2 3.31Å; E221-V225 PolarHBondContact O-N 3.04Å |
| 222 | E | 87.8 | Confident | 89.2 | Confident | 89 Ų | 89 | 69.2 Ų | 69.2 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 177.2 | -68.6 | 162 | 146 | 0 | 0 | 111.2 | L218 T219 G224 V225 A226 | L218-E222 HydrophobicContact CD2-CB 3.89Å; T219-E222 WeakPolarHBondContact CB-OE2 3.41Å; T219-E222 WeakPolarHBondContact CG2-OE2 3.31Å; T219-E222 PolarHBondContact N-OE2 2.96Å; T219-E222 PolarHBondContact O-N 2.88Å; T219-E222 WeakPolarHBondContact OG1-CB 3.37Å; T219-E222 WeakPolarHBondContact OG1-CG 3.38Å; T219-E222 PolarHBondContact OG1-N 3.41Å; T219-E222 PolarHBondContact OG1-OE2 3.32Å; E222-G224 VanDerWaalsContact C-N 3.32Å; E222-G224 PolarHBondContact O-N 3.27Å; E222-V225 PolarHBondContact O-N 3.47Å; E222-A226 PolarHBondContact O-N 2.99Å; E222-A226 VanDerWaalsContact O-N 3.15Å |
| 223 | Q | 89.9 | Confident | 89.8 | Confident | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -41 | 175.4 | -177.5 | 163.3 | 42.8 | 0 | 0 | 111.7 | S38 H41 T219 E221 V225 A226 V227 | S38-Q223 VanDerWaalsContact O-CG 3.31Å; S38-Q223 WeakPolarHBondContact O-CG 3.42Å; S38-Q223 PolarHBondContact O-NE2 3.48Å; H41-Q223 PolarHBondContact O-NE2 3.3Å; T219-Q223 VanDerWaalsContact O-CB 3.26Å; T219-Q223 WeakPolarHBondContact O-CB 3.48Å; T219-Q223 PolarHBondContact O-N 2.96Å; E221-Q223 VanDerWaalsContact C-N 3.35Å; E221-Q223 PolarHBondContact O-N 2.93Å; Q223-V225 VanDerWaalsContact C-N 3.33Å; Q223-V225 PolarHBondContact O-N 3.41Å; Q223-A226 PolarHBondContact O-N 3.43Å; Q223-V227 WeakPolarHBondContact O-CG2 3.35Å; Q223-V227 PolarHBondContact O-N 3.02Å |
| 224 | G | 90.9 | Very high | 90.4 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M220 E221 E222 K228 | M220-G224 WeakPolarHBondContact O-CA 3.46Å; M220-G224 PolarHBondContact O-N 2.88Å; E221-G224 PolarHBondContact O-N 3.47Å; E222-G224 VanDerWaalsContact C-N 3.32Å; E222-G224 PolarHBondContact O-N 3.27Å; G224-K228 VanDerWaalsContact O-CB 3.24Å; G224-K228 WeakPolarHBondContact O-CB 3.38Å; G224-K228 PolarHBondContact O-N 3.47Å |
| 225 | V | 92.8 | Very high | 90.9 | Very high | 81 Ų | 81 | 69 Ų | 69 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | E221 E222 Q223 K228 H229 | E221-V225 WeakPolarHBondContact O-CG2 3.31Å; E221-V225 PolarHBondContact O-N 3.04Å; E222-V225 PolarHBondContact O-N 3.47Å; Q223-V225 VanDerWaalsContact C-N 3.33Å; Q223-V225 PolarHBondContact O-N 3.41Å; V225-K228 PolarHBondContact O-N 3.26Å; V225-H229 PolarHBondContact O-CD2 3.21Å; V225-H229 PolarHBondContact O-N 3.27Å |
| 226 | A | 90.7 | Very high | 91.5 | Very high | 57 Ų | 57 | 71.5 Ų | 71.5 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | E222 Q223 K228 H229 L230 | E222-A226 PolarHBondContact O-N 2.99Å; E222-A226 VanDerWaalsContact O-N 3.15Å; Q223-A226 PolarHBondContact O-N 3.43Å; A226-K228 VanDerWaalsContact C-N 3.33Å; A226-K228 PolarHBondContact O-N 3.43Å; A226-H229 PolarHBondContact O-N 2.99Å; A226-L230 WeakPolarHBondContact O-CB 3.38Å; A226-L230 PolarHBondContact O-N 3.33Å |
| 227 | V | 93.5 | Very high | 92.1 | Very high | 21 Ų | 21 | 70.9 Ų | 70.9 | 13% | 0.127 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 177.4 | 170 | 0 | 0 | 0 | 0 | 111 | Q223 H229 L230 V231 | Q223-V227 WeakPolarHBondContact O-CG2 3.35Å; Q223-V227 PolarHBondContact O-N 3.02Å; V227-H229 PolarHBondContact O-N 3.2Å; V227-L230 PolarHBondContact O-N 3Å; V227-V231 HydrophobicContact CG1-CG2 4.37Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 3.27Å |
| 228 | K | 94.7 | Very high | 92.7 | Very high | 143 Ų | 143 | 70.3 Ų | 70.3 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.9 | -48.5 | 178.3 | -179.7 | -176.9 | 174.5 | -175.3 | 0 | 111.5 | G224 V225 A226 L230 V231 E232 | G224-K228 VanDerWaalsContact O-CB 3.24Å; G224-K228 WeakPolarHBondContact O-CB 3.38Å; G224-K228 PolarHBondContact O-N 3.47Å; V225-K228 PolarHBondContact O-N 3.26Å; A226-K228 VanDerWaalsContact C-N 3.33Å; A226-K228 PolarHBondContact O-N 3.43Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 2.93Å; K228-V231 PolarHBondContact O-N 3.17Å; K228-E232 WeakPolarHBondContact O-CB 3.47Å; K228-E232 PolarHBondContact O-N 2.91Å |
| 229 | H | 95.1 | Very high | 93.3 | Very high | 106 Ų | 106 | 69.9 Ų | 69.9 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 177.9 | -75.5 | -60.5 | 0 | 0 | 0 | 112.2 | V225 A226 V227 V231 E232 V233 | V225-H229 PolarHBondContact O-CD2 3.21Å; V225-H229 PolarHBondContact O-N 3.27Å; A226-H229 PolarHBondContact O-N 2.99Å; V227-H229 PolarHBondContact O-N 3.2Å; H229-V231 VanDerWaalsContact C-N 3.35Å; H229-V231 PolarHBondContact O-N 3.41Å; H229-E232 PolarHBondContact O-N 3.39Å; H229-V233 WeakPolarHBondContact O-CB 3.39Å; H229-V233 VanDerWaalsContact O-CG2 3.29Å; H229-V233 WeakPolarHBondContact O-CG2 3.39Å; H229-V233 PolarHBondContact O-N 3.48Å |
| 230 | L | 95.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | -179.9 | -142.1 | 76.9 | 0 | 0 | 0 | 111.6 | F31 L34 S35 A226 V227 K228 S234 | F31-L230 HydrophobicContact CB-CG 4.16Å; F31-L230 HydrophobicContact CD1-CD1 4.33Å; F31-L230 HydrophobicContact CD1-CG 4.45Å; F31-L230 HydrophobicContact CG-CG 4.38Å; F31-L230 WeakPolarHBondContact O-CD2 3.46Å; L34-L230 HydrophobicContact CB-CD2 3.7Å; L34-L230 HydrophobicContact CD2-CD2 3.85Å; L34-L230 HydrophobicContact CG-CD2 3.6Å; S35-L230 WeakPolarHBondContact OG-CB 3.33Å; S35-L230 WeakPolarHBondContact OG-CD2 3.38Å; A226-L230 WeakPolarHBondContact O-CB 3.38Å; A226-L230 PolarHBondContact O-N 3.33Å; V227-L230 PolarHBondContact O-N 3Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 2.93Å; L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.27Å |
| 231 | V | 95.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | V227 K228 H229 V233 S234 V235 | V227-V231 HydrophobicContact CG1-CG2 4.37Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 3.27Å; K228-V231 PolarHBondContact O-N 3.17Å; H229-V231 VanDerWaalsContact C-N 3.35Å; H229-V231 PolarHBondContact O-N 3.41Å; V231-V233 PolarHBondContact O-N 3.17Å; V231-S234 WeakPolarHBondContact CA-OG 3.43Å; V231-S234 PolarHBondContact O-N 3.36Å; V231-S234 VanDerWaalsContact O-N 3.14Å; V231-S234 PolarHBondContact O-OG 3.48Å; V231-V235 HydrophobicContact CG1-CG2 4.31Å; V231-V235 WeakPolarHBondContact O-CG2 3.47Å; V231-V235 PolarHBondContact O-N 3.22Å |
| 232 | E | 96.7 | Very high | 94.5 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 179.6 | -175.8 | 174.8 | 175.8 | 0 | 0 | 111.6 | K228 H229 S234 V235 C236 | K228-E232 WeakPolarHBondContact O-CB 3.47Å; K228-E232 PolarHBondContact O-N 2.91Å; H229-E232 PolarHBondContact O-N 3.39Å; E232-S234 VanDerWaalsContact C-N 3.34Å; E232-S234 PolarHBondContact O-N 2.91Å; E232-V235 PolarHBondContact O-N 2.98Å; E232-C236 PolarHBondContact O-N 3.26Å; E232-C236 PolarHBondContact O-SG 3.34Å; E232-C236 VanDerWaalsContact O-SG 3.35Å |
| 233 | V | 96.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | F31 H229 V231 V235 C236 L237 | F31-V233 HydrophobicContact CD2-CB 4.46Å; F31-V233 HydrophobicContact CD2-CG1 3.87Å; F31-V233 HydrophobicContact CE2-CG1 3.66Å; H229-V233 WeakPolarHBondContact O-CB 3.39Å; H229-V233 VanDerWaalsContact O-CG2 3.29Å; H229-V233 WeakPolarHBondContact O-CG2 3.39Å; H229-V233 PolarHBondContact O-N 3.48Å; V231-V233 PolarHBondContact O-N 3.17Å; V233-V235 VanDerWaalsContact C-N 3.34Å; V233-V235 PolarHBondContact O-N 3.26Å; V233-C236 PolarHBondContact O-N 2.98Å; V233-L237 HydrophobicContact CG1-CD1 4.12Å; V233-L237 HydrophobicContact CG1-CG 4.36Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.35Å; V233-L237 PolarHBondContact O-N 3.29Å |
| 234 | S | 96.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.028 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.7 | 78.1 | 0 | 0 | 0 | 0 | 112.6 | L230 V231 E232 L237 L238 | L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.27Å; V231-S234 WeakPolarHBondContact CA-OG 3.43Å; V231-S234 PolarHBondContact O-N 3.36Å; V231-S234 VanDerWaalsContact O-N 3.14Å; V231-S234 PolarHBondContact O-OG 3.48Å; E232-S234 VanDerWaalsContact C-N 3.34Å; E232-S234 PolarHBondContact O-N 2.91Å; S234-L237 PolarHBondContact O-N 2.88Å; S234-L238 WeakPolarHBondContact O-CG 3.35Å; S234-L238 PolarHBondContact O-N 3.1Å |
| 235 | V | 96.7 | Very high | 94.5 | Very high | 90 Ų | 90 | 66.3 Ų | 66.3 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | V231 E232 V233 L237 L238 G239 | V231-V235 HydrophobicContact CG1-CG2 4.31Å; V231-V235 WeakPolarHBondContact O-CG2 3.47Å; V231-V235 PolarHBondContact O-N 3.22Å; E232-V235 PolarHBondContact O-N 2.98Å; V233-V235 VanDerWaalsContact C-N 3.34Å; V233-V235 PolarHBondContact O-N 3.26Å; V235-L237 PolarHBondContact O-N 2.88Å; V235-L238 PolarHBondContact O-N 3.25Å; V235-G239 PolarHBondContact O-N 3.45Å |
| 236 | C | 96.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 67.4 Ų | 67.4 | 53% | 0.534 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 174.1 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | E232 V233 L238 G239 V240 | E232-C236 PolarHBondContact O-N 3.26Å; E232-C236 PolarHBondContact O-SG 3.34Å; E232-C236 VanDerWaalsContact O-SG 3.35Å; V233-C236 PolarHBondContact O-N 2.98Å; C236-L238 PolarHBondContact O-N 2.95Å; C236-G239 PolarHBondContact O-N 3.48Å; C236-V240 WeakPolarHBondContact O-CG2 3.05Å; C236-V240 PolarHBondContact O-N 3.35Å |
| 237 | L | 96.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 178.2 | -71 | 173.3 | 0 | 0 | 0 | 111.9 | L24 L27 A28 F31 V233 S234 V235 G239 V240 C241 | L24-L237 HydrophobicContact CD2-CD2 3.92Å; L27-L237 HydrophobicContact CB-CD1 4.39Å; L27-L237 HydrophobicContact CD2-CD1 3.92Å; L27-L237 HydrophobicContact CG-CD1 3.96Å; A28-L237 HydrophobicContact CB-CB 3.86Å; A28-L237 HydrophobicContact CB-CD1 4.3Å; F31-L237 HydrophobicContact CD2-CD1 3.9Å; F31-L237 HydrophobicContact CE2-CD1 3.92Å; V233-L237 HydrophobicContact CG1-CD1 4.12Å; V233-L237 HydrophobicContact CG1-CG 4.36Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.35Å; V233-L237 PolarHBondContact O-N 3.29Å; S234-L237 PolarHBondContact O-N 2.88Å; V235-L237 PolarHBondContact O-N 2.88Å; L237-G239 VanDerWaalsContact C-N 3.32Å; L237-G239 PolarHBondContact O-N 3.39Å; L237-V240 PolarHBondContact O-N 3.05Å; L237-C241 PolarHBondContact O-N 3.27Å; L237-C241 PolarHBondContact O-SG 2.98Å; L237-C241 VanDerWaalsContact O-SG 3.37Å |
| 238 | L | 96.6 | Very high | 93.6 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 174.5 | -71 | 176.9 | 0 | 0 | 0 | 112 | L25 A28 I32 S234 V235 C236 C241 L242 | L25-L238 HydrophobicContact CD1-CD2 4.39Å; A28-L238 HydrophobicContact CB-CD2 3.99Å; A28-L238 HydrophobicContact CB-CG 4.08Å; I32-L238 HydrophobicContact CD1-CD1 4.11Å; S234-L238 WeakPolarHBondContact O-CG 3.35Å; S234-L238 PolarHBondContact O-N 3.1Å; V235-L238 PolarHBondContact O-N 3.25Å; C236-L238 PolarHBondContact O-N 2.95Å; L238-C241 WeakPolarHBondContact O-CB 3.35Å; L238-C241 PolarHBondContact O-N 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.08Å |
| 239 | G | 96.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V235 C236 L237 L242 I243 | V235-G239 PolarHBondContact O-N 3.45Å; C236-G239 PolarHBondContact O-N 3.48Å; L237-G239 VanDerWaalsContact C-N 3.32Å; L237-G239 PolarHBondContact O-N 3.39Å; G239-L242 PolarHBondContact O-N 3.49Å; G239-I243 WeakPolarHBondContact O-CG1 3.45Å; G239-I243 PolarHBondContact O-N 3.45Å |
| 240 | V | 95.1 | Very high | 92.2 | Very high | 65 Ų | 65 | 63.5 Ų | 63.5 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L24 C236 L237 L242 I243 L244 | L24-V240 HydrophobicContact CD1-CG1 3.94Å; C236-V240 WeakPolarHBondContact O-CG2 3.05Å; C236-V240 PolarHBondContact O-N 3.35Å; L237-V240 PolarHBondContact O-N 3.05Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 2.75Å; V240-I243 PolarHBondContact O-N 3.06Å; V240-L244 HydrophobicContact CG1-CD1 4.17Å; V240-L244 HydrophobicContact CG1-CG 4.42Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 2.9Å |
| 241 | C | 94.4 | Very high | 91 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 175 | -72.4 | 0 | 0 | 0 | 0 | 112 | F21 L237 L238 L244 C245 | F21-C241 HydrophobicContact CD2-CB 4.23Å; F21-C241 HydrophobicContact CE2-CB 3.66Å; F21-C241 HydrophobicContact CZ-CB 4.46Å; L237-C241 PolarHBondContact O-N 3.27Å; L237-C241 PolarHBondContact O-SG 2.98Å; L237-C241 VanDerWaalsContact O-SG 3.37Å; L238-C241 WeakPolarHBondContact O-CB 3.35Å; L238-C241 PolarHBondContact O-N 3.29Å; C241-L244 PolarHBondContact O-N 3.24Å; C241-C245 PolarHBondContact O-N 3.32Å; C241-C245 PolarHBondContact O-SG 3.04Å |
| 242 | L | 94.4 | Very high | 89.5 | Confident | 115 Ų | 115 | 70.5 Ų | 70.5 | 60% | 0.602 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 176.5 | -72 | 171.4 | 0 | 0 | 0 | 112.2 | L238 G239 V240 L244 C245 I246 | L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.08Å; G239-L242 PolarHBondContact O-N 3.49Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 2.75Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 3.42Å; L242-C245 WeakPolarHBondContact O-CB 3.34Å; L242-C245 PolarHBondContact O-N 2.74Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.37Å |
| 243 | I | 93.1 | Very high | 87.7 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 176.3 | -68.8 | 160.9 | 0 | 0 | 0 | 110.7 | G239 V240 C245 I246 A247 | G239-I243 WeakPolarHBondContact O-CG1 3.45Å; G239-I243 PolarHBondContact O-N 3.45Å; V240-I243 PolarHBondContact O-N 3.06Å; I243-C245 VanDerWaalsContact C-N 3.32Å; I243-C245 PolarHBondContact O-N 3.2Å; I243-I246 PolarHBondContact O-N 3.48Å; I243-A247 WeakPolarHBondContact O-CB 3.47Å; I243-A247 PolarHBondContact O-N 3.49Å |
| 244 | L | 89.3 | Confident | 85.7 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.8 | -69 | 174.2 | 0 | 0 | 0 | 111.6 | F20 F21 L24 V240 C241 L242 A247 A248 | F20-L244 HydrophobicContact CD1-CD1 4.25Å; F20-L244 HydrophobicContact CE1-CD1 4.1Å; F21-L244 HydrophobicContact CD2-CB 4.4Å; F21-L244 HydrophobicContact CD2-CD1 4.37Å; L24-L244 HydrophobicContact CD1-CD1 4.22Å; V240-L244 HydrophobicContact CG1-CD1 4.17Å; V240-L244 HydrophobicContact CG1-CG 4.42Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 2.9Å; C241-L244 PolarHBondContact O-N 3.24Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 3.42Å; L244-A247 PolarHBondContact O-N 2.95Å; L244-A248 WeakPolarHBondContact O-CB 3.36Å; L244-A248 PolarHBondContact O-N 2.96Å |
| 245 | C | 88 | Confident | 83.7 | Confident | 55 Ų | 55 | 72.9 Ų | 72.9 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 174.3 | -71.3 | 0 | 0 | 0 | 0 | 111.7 | F21 C241 L242 I243 A247 A248 S249 | F21-C245 VanDerWaalsContact CE2-SG 3.53Å; C241-C245 PolarHBondContact O-N 3.32Å; C241-C245 PolarHBondContact O-SG 3.04Å; L242-C245 WeakPolarHBondContact O-CB 3.34Å; L242-C245 PolarHBondContact O-N 2.74Å; I243-C245 VanDerWaalsContact C-N 3.32Å; I243-C245 PolarHBondContact O-N 3.2Å; C245-A247 PolarHBondContact O-N 3.28Å; C245-A248 PolarHBondContact O-N 3.11Å; C245-S249 PolarHBondContact O-N 3.14Å; C245-S249 PolarHBondContact O-OG 3.06Å; C245-S249 VanDerWaalsContact O-OG 3.05Å |
| 246 | I | 88.7 | Confident | 81.4 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 179.8 | -66.2 | 165.1 | 0 | 0 | 0 | 110.7 | L242 I243 A248 S249 L250 | L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.37Å; I243-I246 PolarHBondContact O-N 3.48Å; I246-A248 VanDerWaalsContact C-N 3.32Å; I246-A248 PolarHBondContact O-N 3.32Å; I246-S249 PolarHBondContact O-N 3.11Å; I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.34Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 3.47Å |
| 247 | A | 85.9 | Confident | 79.1 | Confident | 43 Ų | 43 | 80.2 Ų | 80.2 | 36% | 0.355 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | I243 L244 C245 K251 | I243-A247 WeakPolarHBondContact O-CB 3.47Å; I243-A247 PolarHBondContact O-N 3.49Å; L244-A247 PolarHBondContact O-N 2.95Å; C245-A247 PolarHBondContact O-N 3.28Å; A247-K251 WeakPolarHBondContact O-CG 3.45Å; A247-K251 PolarHBondContact O-N 3.04Å; A247-K251 VanDerWaalsContact O-N 3.11Å |
| 248 | A | 82.3 | Confident | 76.9 | Confident | 21 Ų | 21 | 84.1 Ų | 84.1 | 17% | 0.174 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y10 L244 C245 I246 L250 K251 T252 | Y10-A248 WeakPolarHBondContact OH-CB 3.37Å; L244-A248 WeakPolarHBondContact O-CB 3.36Å; L244-A248 PolarHBondContact O-N 2.96Å; C245-A248 PolarHBondContact O-N 3.11Å; I246-A248 VanDerWaalsContact C-N 3.32Å; I246-A248 PolarHBondContact O-N 3.32Å; A248-L250 PolarHBondContact O-N 3.33Å; A248-K251 PolarHBondContact O-N 3.17Å; A248-T252 PolarHBondContact O-N 3.29Å; A248-T252 VanDerWaalsContact O-N 3.11Å; A248-T252 PolarHBondContact O-OG1 3.05Å |
| 249 | S | 79.9 | Confident | 74.7 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 53% | 0.531 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 178 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | C245 I246 T252 S253 | C245-S249 PolarHBondContact O-N 3.14Å; C245-S249 PolarHBondContact O-OG 3.06Å; C245-S249 VanDerWaalsContact O-OG 3.05Å; I246-S249 PolarHBondContact O-N 3.11Å; S249-T252 PolarHBondContact O-OG1 3.46Å; S249-T252 VanDerWaalsContact O-OG1 3.05Å; S249-S253 PolarHBondContact O-N 3.09Å |
| 250 | L | 80.1 | Confident | 72.6 | Confident | 106 Ų | 106 | 92.8 Ų | 92.8 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.8 | -43.5 | 176 | -72 | 169 | 0 | 0 | 0 | 111 | I246 A248 T252 S253 V254 | I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.34Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 3.47Å; A248-L250 PolarHBondContact O-N 3.33Å; L250-T252 VanDerWaalsContact C-N 3.31Å; L250-T252 PolarHBondContact O-N 3.46Å; L250-S253 PolarHBondContact O-N 3.47Å; L250-S253 PolarHBondContact O-OG 3.17Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.05Å |
| 251 | K | 71.4 | Confident | 70.3 | Confident | 165 Ų | 165 | 92.6 Ų | 92.6 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -31.5 | 177.8 | -76 | -176.8 | -178.2 | -173.1 | 0 | 113.8 | A247 A248 P255 | A247-K251 WeakPolarHBondContact O-CG 3.45Å; A247-K251 PolarHBondContact O-N 3.04Å; A247-K251 VanDerWaalsContact O-N 3.11Å; A248-K251 PolarHBondContact O-N 3.17Å; K251-P255 WeakPolarHBondContact O-CD 2.89Å |
| 252 | T | 63.3 | Low | 68 | Low | 85 Ų | 85 | 94.6 Ų | 94.6 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -81.7 | -22.5 | 176.3 | 54.9 | 0 | 0 | 0 | 0 | 113 | A248 S249 L250 P255 | A248-T252 PolarHBondContact O-N 3.29Å; A248-T252 VanDerWaalsContact O-N 3.11Å; A248-T252 PolarHBondContact O-OG1 3.05Å; S249-T252 PolarHBondContact O-OG1 3.46Å; S249-T252 VanDerWaalsContact O-OG1 3.05Å; L250-T252 VanDerWaalsContact C-N 3.31Å; L250-T252 PolarHBondContact O-N 3.46Å; T252-P255 WeakPolarHBondContact O-CD 3.43Å; T252-P255 WeakPolarHBondContact O-CG 3.39Å |
| 253 | S | 58.4 | Low | 65.7 | Low | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.9 | -31.2 | 176.1 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | S249 L250 | S249-S253 PolarHBondContact O-N 3.09Å; L250-S253 PolarHBondContact O-N 3.47Å; L250-S253 PolarHBondContact O-OG 3.17Å |
| 254 | V | 55.9 | Low | 63.4 | Low | 83 Ų | 83 | 96 Ų | 96 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 114 | L250 H256 R257 | L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.05Å; V254-H256 PolarHBondContact O-N 3.21Å; V254-R257 PolarHBondContact O-N 2.83Å |
| 255 | P | 53.4 | Low | 61.4 | Low | 78 Ų | 78 | 98 Ų | 98 | 51% | 0.506 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -22.2 | -177.1 | 22.1 | -32.8 | 0 | 0 | 0 | 114 | K251 T252 | K251-P255 WeakPolarHBondContact O-CD 2.89Å; T252-P255 WeakPolarHBondContact O-CD 3.43Å; T252-P255 WeakPolarHBondContact O-CG 3.39Å |
| 256 | H | 49.2 | Very low | 59.3 | Low | 127 Ų | 127 | 103.8 Ų | 103.8 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76 | -24.5 | 175.4 | -162.3 | -67.4 | 0 | 0 | 0 | 112.6 | V254 L260 | V254-H256 PolarHBondContact O-N 3.21Å; H256-L260 PolarHBondContact O-N 3.41Å |
| 257 | R | 48.2 | Very low | 57.5 | Low | 196 Ų | 196 | 103.4 Ų | 103.4 | 74% | 0.74 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -79.6 | -33.6 | -179.9 | -158.9 | 167.2 | 78 | 173.7 | 5.5 | 112.2 | V254 L260 A261 | V254-R257 PolarHBondContact O-N 2.83Å; R257-L260 PolarHBondContact O-N 3.07Å; R257-A261 PolarHBondContact O-N 3.49Å |
| 258 | D | 51.6 | Low | 55.6 | Low | 108 Ų | 108 | 110 Ų | 110 | 58% | 0.578 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.9 | -31.9 | 177.7 | -63.8 | -26.9 | 0 | 0 | 0 | 112.1 | A261 G262 | D258-A261 PolarHBondContact O-N 3.47Å; D258-G262 PolarHBondContact O-N 3.44Å; D258-G262 VanDerWaalsContact O-N 3.09Å |
| 259 | Y | 49.6 | Very low | 54 | Low | 173 Ų | 173 | 114.5 Ų | 114.5 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.1 | -38.8 | 172.6 | -174.1 | -98.5 | 0 | 0 | 0 | 112.7 | ||
| 260 | L | 51.4 | Low | 52.1 | Low | 96 Ų | 96 | 119.5 Ų | 119.5 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -73.8 | -28.8 | 175.8 | -87 | 160.4 | 0 | 0 | 0 | 113.1 | H256 R257 | H256-L260 PolarHBondContact O-N 3.41Å; R257-L260 PolarHBondContact O-N 3.07Å |
| 261 | A | 48.8 | Very low | 50.5 | Low | 61 Ų | 61 | 121.3 Ų | 121.3 | 50% | 0.504 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -73.6 | -33.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R257 D258 Q263 | R257-A261 PolarHBondContact O-N 3.49Å; D258-A261 PolarHBondContact O-N 3.47Å; A261-Q263 VanDerWaalsContact C-N 3.34Å; A261-Q263 PolarHBondContact O-N 3.49Å |
| 262 | G | 44.9 | Very low | 48.9 | Very low | 47 Ų | 47 | 122.3 Ų | 122.3 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.8 | -26.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | D258 | D258-G262 PolarHBondContact O-N 3.44Å; D258-G262 VanDerWaalsContact O-N 3.09Å |
| 263 | Q | 46.9 | Very low | 47.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 58% | 0.575 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -80 | -17.6 | -176.7 | -154.2 | 171.5 | 13.6 | 0 | 0 | 113.9 | A261 | A261-Q263 VanDerWaalsContact C-N 3.34Å; A261-Q263 PolarHBondContact O-N 3.49Å |
| 264 | N | 44.7 | Very low | 47.2 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -86.5 | -5.3 | 177.5 | -88.5 | -13.9 | 0 | 0 | 0 | 114.3 | ||
| 265 | S | 45.9 | Very low | 46.8 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -96.4 | 1.9 | 176 | -72 | 0 | 0 | 0 | 0 | 113.9 | ||
| 266 | Q | 45.8 | Very low | 46.4 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -113.1 | 23.8 | -173.8 | -157.5 | 158.9 | -4.7 | 0 | 0 | 113.8 | ||
| 267 | S | 48.9 | Very low | 46.3 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -129 | 62.1 | 176.7 | 42.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 268 | E | 46.6 | Very low | 46.1 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | trans | -106.9 | 118.1 | 163.5 | -135.7 | 173.2 | 141.7 | 0 | 0 | 108.4 | ||||
| 269 | P | 48.9 | Very low | 45.8 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 122.5 | -179.3 | 29.5 | -30.5 | 0 | 0 | 0 | 110.8 | I271 | P269-I271 PolarHBondContact O-N 3.43Š|
| 270 | L | 41 | Very low | 45.5 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 95% | 0.948 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -68 | 123.2 | 168.4 | -87.2 | 163.8 | 0 | 0 | 0 | 110.1 | ||
| 271 | I | 45.7 | Very low | 45.1 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 153 | 172.6 | -66.5 | 169.4 | 0 | 0 | 0 | 109.7 | P269 | P269-I271 PolarHBondContact O-N 3.43Š|
| 272 | E | 38.6 | Very low | 44.8 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 135.5 | 170 | -84.5 | 171.7 | 149.5 | 0 | 0 | 116.8 | ||||
| 273 | S | 39.2 | Very low | 44.7 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 100% | 1.287 | 82% | 0.817 | S | S | * | * | cis | -150.6 | 0 | 30.6 | -177.8 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 273 of 273 residues in 409.1 ms
(Link to these results)