| 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 | 58.3 | Low | 68.3 | Low | 192 Ų | 192 | 126.3 Ų | 126.3 | 95% | 0.946 | 59% | 0.593 | S | S | * | * | 0 | -48.8 | 0 | -131.4 | 164.4 | 96 | 0 | 0 | 113.9 | Q3 L4 I5 | M1-Q3 PolarHBondContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-I5 PolarHBondContact O-N 3.39Å | |||
| 2 | N | 64.8 | Low | 68.6 | Low | 126 Ų | 126 | 134 Ų | 134 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61 | -34.5 | -178 | -87.1 | -15.8 | 0 | 0 | 0 | 115.7 | K6 | N2-K6 WeakPolarHBondContact O-CG 2.97Å; N2-K6 PolarHBondContact O-N 2.94Å; N2-K6 VanDerWaalsContact O-N 3.15Å |
| 3 | Q | 64.7 | Low | 68.9 | Low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.2 | -42.2 | 178.2 | -70.9 | -174.5 | -11.1 | 0 | 0 | 112.6 | M1 I5 K6 I7 | M1-Q3 PolarHBondContact O-N 3.16Å; Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 2.79Å; Q3-K6 WeakPolarHBondContact O-CB 3.01Å; Q3-K6 PolarHBondContact O-N 2.9Å; Q3-K6 VanDerWaalsContact O-N 3.13Å; Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 2.9Å |
| 4 | L | 65.7 | Low | 69.6 | Low | 119 Ų | 119 | 123.9 Ų | 123.9 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.3 | -39.1 | 175.5 | -98.9 | 153.9 | 0 | 0 | 0 | 112.3 | M1 I7 K8 | M1-L4 PolarHBondContact O-N 3.44Å; L4-I7 PolarHBondContact O-N 2.9Å; L4-K8 PolarHBondContact O-N 2.87Å |
| 5 | I | 70.5 | Confident | 70.4 | Confident | 81 Ų | 81 | 126 Ų | 126 | 42% | 0.415 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.9 | -41.5 | 175.9 | -62.8 | 168.8 | 0 | 0 | 0 | 110.8 | M1 Q3 K8 R9 | M1-I5 PolarHBondContact O-N 3.39Å; Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 2.79Å; I5-K8 PolarHBondContact O-N 3.45Å; I5-R9 PolarHBondContact O-N 3.49Å |
| 6 | K | 70.3 | Confident | 71.4 | Confident | 150 Ų | 150 | 118.1 Ų | 118.1 | 65% | 0.652 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 175.8 | -74.7 | -179.5 | 179.4 | -176.2 | 0 | 111.9 | N2 Q3 R9 L10 | N2-K6 WeakPolarHBondContact O-CG 2.97Å; N2-K6 PolarHBondContact O-N 2.94Å; N2-K6 VanDerWaalsContact O-N 3.15Å; Q3-K6 WeakPolarHBondContact O-CB 3.01Å; Q3-K6 PolarHBondContact O-N 2.9Å; Q3-K6 VanDerWaalsContact O-N 3.13Å; K6-R9 PolarHBondContact O-N 2.99Å; K6-L10 PolarHBondContact O-N 2.79Å |
| 7 | I | 69.6 | Low | 72.2 | Confident | 89 Ų | 89 | 112.1 Ų | 112.1 | 46% | 0.456 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 176.9 | -66.4 | 166 | 0 | 0 | 0 | 110.7 | Q3 L4 R9 L10 F11 | Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 2.9Å; L4-I7 PolarHBondContact O-N 2.9Å; I7-R9 VanDerWaalsContact C-N 3.29Å; I7-R9 PolarHBondContact O-N 2.82Å; I7-L10 WeakPolarHBondContact O-CB 3.07Å; I7-L10 PolarHBondContact O-N 2.72Å; I7-L10 VanDerWaalsContact O-N 3.08Å; I7-F11 HydrophobicContact CG2-CD2 3.91Å; I7-F11 HydrophobicContact CG2-CE2 3.92Å; I7-F11 WeakPolarHBondContact O-CD2 3.49Å; I7-F11 PolarHBondContact O-N 3.3Å; I7-F11 VanDerWaalsContact O-N 3.07Å |
| 8 | K | 71.9 | Confident | 72.9 | Confident | 157 Ų | 157 | 110.9 Ų | 110.9 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.7 | -39.2 | 176.3 | -80.1 | -173.5 | 176.8 | -177.1 | 0 | 112.4 | L4 I5 R12 | L4-K8 PolarHBondContact O-N 2.87Å; I5-K8 PolarHBondContact O-N 3.45Å; K8-R12 WeakPolarHBondContact O-CB 3.47Å; K8-R12 PolarHBondContact O-N 2.93Å; K8-R12 VanDerWaalsContact O-N 3.12Å |
| 9 | R | 71.5 | Confident | 73.8 | Confident | 185 Ų | 185 | 107.9 Ų | 107.9 | 70% | 0.698 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 173.9 | -88.2 | -175.4 | 175.7 | 172.7 | -0.6 | 112.3 | I5 K6 I7 R12 T13 | I5-R9 PolarHBondContact O-N 3.49Å; K6-R9 PolarHBondContact O-N 2.99Å; I7-R9 VanDerWaalsContact C-N 3.29Å; I7-R9 PolarHBondContact O-N 2.82Å; R9-R12 PolarHBondContact O-N 3.33Å; R9-T13 WeakPolarHBondContact O-CB 2.94Å; R9-T13 PolarHBondContact O-N 3.33Å; R9-T13 PolarHBondContact O-OG1 3.36Å |
| 10 | L | 71.6 | Confident | 74.5 | Confident | 66 Ų | 66 | 102.6 Ų | 102.6 | 35% | 0.346 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.2 | -51 | 176.3 | -109.2 | 143.7 | 0 | 0 | 0 | 111.5 | K6 I7 R12 T13 Y14 L17 | K6-L10 PolarHBondContact O-N 2.79Å; I7-L10 WeakPolarHBondContact O-CB 3.07Å; I7-L10 PolarHBondContact O-N 2.72Å; I7-L10 VanDerWaalsContact O-N 3.08Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 2.93Å; L10-T13 PolarHBondContact O-N 3.15Å; L10-T13 VanDerWaalsContact O-N 3.17Å; L10-Y14 HydrophobicContact CD2-CD2 3.81Å; L10-Y14 HydrophobicContact CD2-CE2 3.8Å; L10-Y14 WeakPolarHBondContact O-CD2 3.37Å; L10-Y14 PolarHBondContact O-N 3.13Å; L10-L17 HydrophobicContact CD2-CD1 4.18Å |
| 11 | F | 72.1 | Confident | 75.3 | Confident | 67 Ų | 67 | 101.2 Ų | 101.2 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -32.1 | 177.4 | -84.8 | -87 | 0 | 0 | 0 | 113.6 | I7 L17 H18 L21 | I7-F11 HydrophobicContact CG2-CD2 3.91Å; I7-F11 HydrophobicContact CG2-CE2 3.92Å; I7-F11 WeakPolarHBondContact O-CD2 3.49Å; I7-F11 PolarHBondContact O-N 3.3Å; I7-F11 VanDerWaalsContact O-N 3.07Å; F11-L17 HydrophobicContact CD1-CB 3.78Å; F11-L17 HydrophobicContact CE1-CB 3.74Å; F11-L17 HydrophobicContact CZ-CB 4.46Å; F11-H18 HydrophobicContact CD1-CB 4.17Å; F11-L21 HydrophobicContact CE1-CB 4.5Å; F11-L21 HydrophobicContact CE1-CD2 4.42Å; F11-L21 HydrophobicContact CZ-CD1 4.47Å |
| 12 | R | 72.3 | Confident | 76.8 | Confident | 219 Ų | 219 | 98.4 Ų | 98.4 | 83% | 0.826 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72 | -33.2 | 175.7 | -163.3 | 174.4 | -176.2 | 171.3 | 1.1 | 112.4 | K8 R9 L10 | K8-R12 WeakPolarHBondContact O-CB 3.47Å; K8-R12 PolarHBondContact O-N 2.93Å; K8-R12 VanDerWaalsContact O-N 3.12Å; R9-R12 PolarHBondContact O-N 3.33Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 2.93Å |
| 13 | T | 71.9 | Confident | 78.1 | Confident | 98 Ų | 98 | 93 Ų | 93 | 60% | 0.601 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -78.5 | -42.3 | -179.4 | -47.4 | 0 | 0 | 0 | 0 | 111.2 | R9 L10 | R9-T13 WeakPolarHBondContact O-CB 2.94Å; R9-T13 PolarHBondContact O-N 3.33Å; R9-T13 PolarHBondContact O-OG1 3.36Å; L10-T13 PolarHBondContact O-N 3.15Å; L10-T13 VanDerWaalsContact O-N 3.17Å |
| 14 | Y | 79.2 | Confident | 79.3 | Confident | 29 Ų | 29 | 86.6 Ų | 86.6 | 11% | 0.114 | 40% | 0.396 | C | S | . | . | trans | -110.8 | 85.9 | -178.5 | -55.7 | -72.3 | 0 | 0 | 0 | 110.8 | L10 F16 L17 Y307 Y310 | L10-Y14 HydrophobicContact CD2-CD2 3.81Å; L10-Y14 HydrophobicContact CD2-CE2 3.8Å; L10-Y14 WeakPolarHBondContact O-CD2 3.37Å; L10-Y14 PolarHBondContact O-N 3.13Å; Y14-F16 AromaticContact CD1-CE1 3.68Å; Y14-F16 HydrophobicContact CD1-CE1 3.68Å; Y14-F16 AromaticContact CD1-CZ 3.92Å; Y14-F16 HydrophobicContact CD1-CZ 3.92Å; Y14-F16 HydrophobicContact CG-CE1 4.07Å; Y14-F16 HydrophobicContact CG-CZ 4.05Å; Y14-F16 PolarHBondContact O-N 3.08Å; Y14-F16 VanDerWaalsContact O-N 3.12Å; Y14-L17 HydrophobicContact CD2-CD1 4.13Å; Y14-L17 HydrophobicContact CG-CD1 4.36Å; Y14-L17 WeakPolarHBondContact O-CB 3.12Å; Y14-L17 PolarHBondContact O-N 3.17Å; Y14-Y307 AromaticContact CD1-CD2 3.49Å; Y14-Y307 HydrophobicContact CD1-CD2 3.49Å; Y14-Y307 VanDerWaalsContact CD1-CD2 3.49Å; Y14-Y307 HydrophobicContact CD1-CE2 4.06Å; Y14-Y307 HydrophobicContact CD1-CG 4.34Å; Y14-Y307 AromaticContact CE1-CD2 3.66Å; Y14-Y307 HydrophobicContact CE1-CD2 3.66Å; Y14-Y307 HydrophobicContact CE1-CG 4.22Å; Y14-Y310 HydrophobicContact CE2-CD2 4.07Å; Y14-Y310 HydrophobicContact CE2-CE2 4.33Å; Y14-Y310 AromaticContact CZ-CD2 3.99Å | ||
| 15 | K | 81.9 | Confident | 80.6 | Confident | 155 Ų | 155 | 85.6 Ų | 85.6 | 67% | 0.674 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.3 | -31.6 | -178.6 | -67.2 | -175.9 | 179.7 | 179.3 | 0 | 113.4 | L17 H18 | K15-L17 PolarHBondContact O-N 3.05Å; K15-H18 PolarHBondContact O-N 2.99Å |
| 16 | F | 85.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.2 | -30.7 | 177.6 | 65.8 | -105.5 | 0 | 0 | 0 | 112.9 | Y14 H18 I19 F20 Y291 Y307 L311 | Y14-F16 AromaticContact CD1-CE1 3.68Å; Y14-F16 HydrophobicContact CD1-CE1 3.68Å; Y14-F16 AromaticContact CD1-CZ 3.92Å; Y14-F16 HydrophobicContact CD1-CZ 3.92Å; Y14-F16 HydrophobicContact CG-CE1 4.07Å; Y14-F16 HydrophobicContact CG-CZ 4.05Å; Y14-F16 PolarHBondContact O-N 3.08Å; Y14-F16 VanDerWaalsContact O-N 3.12Å; F16-H18 PolarHBondContact O-N 3.04Å; F16-I19 PolarHBondContact O-N 3.48Å; F16-F20 HydrophobicContact CB-CD2 4.28Å; F16-F20 HydrophobicContact CB-CE2 4.19Å; F16-F20 HydrophobicContact CD2-CD2 4.11Å; F16-F20 HydrophobicContact CD2-CE2 4.28Å; F16-F20 VanDerWaalsContact O-CD2 3.27Å; F16-F20 WeakPolarHBondContact O-CD2 3.01Å; F16-F20 PolarHBondContact O-N 3Å; F16-Y291 HydrophobicContact CB-CD1 4.31Å; F16-Y291 HydrophobicContact CB-CD2 3.71Å; F16-Y291 HydrophobicContact CB-CE1 4.43Å; F16-Y291 HydrophobicContact CB-CE2 3.86Å; F16-Y291 HydrophobicContact CB-CG 3.96Å; F16-Y307 AromaticContact CD1-CE2 3.78Å; F16-Y307 HydrophobicContact CD1-CE2 3.78Å; F16-Y307 AromaticContact CD1-CZ 3.73Å; F16-Y307 HydrophobicContact CE1-CD1 4.5Å; F16-Y307 AromaticContact CE1-CD2 3.81Å; F16-Y307 HydrophobicContact CE1-CD2 3.81Å; F16-Y307 HydrophobicContact CE1-CE1 4.19Å; F16-Y307 AromaticContact CE1-CE2 3.45Å; F16-Y307 HydrophobicContact CE1-CE2 3.45Å; F16-Y307 VanDerWaalsContact CE1-CE2 3.45Å; F16-Y307 HydrophobicContact CE1-CG 4.3Å; F16-Y307 AromaticContact CE1-CZ 3.64Å; F16-L311 HydrophobicContact CB-CD1 4.18Å; F16-L311 HydrophobicContact CD1-CD1 4.12Å; F16-L311 HydrophobicContact CD2-CD1 3.94Å; F16-L311 HydrophobicContact CE1-CB 4.28Å; F16-L311 HydrophobicContact CE1-CD1 4.49Å; F16-L311 HydrophobicContact CE2-CB 4.28Å; F16-L311 HydrophobicContact CE2-CD1 4.36Å; F16-L311 HydrophobicContact CG-CD1 3.83Å; F16-L311 HydrophobicContact CZ-CB 4.07Å |
| 17 | L | 85.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 78.8 Ų | 78.8 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 177.2 | -72.4 | 175.7 | 0 | 0 | 0 | 111 | L10 F11 Y14 K15 I19 L21 N314 | L10-L17 HydrophobicContact CD2-CD1 4.18Å; F11-L17 HydrophobicContact CD1-CB 3.78Å; F11-L17 HydrophobicContact CE1-CB 3.74Å; F11-L17 HydrophobicContact CZ-CB 4.46Å; Y14-L17 HydrophobicContact CD2-CD1 4.13Å; Y14-L17 HydrophobicContact CG-CD1 4.36Å; Y14-L17 WeakPolarHBondContact O-CB 3.12Å; Y14-L17 PolarHBondContact O-N 3.17Å; K15-L17 PolarHBondContact O-N 3.05Å; L17-I19 VanDerWaalsContact C-N 3.28Å; L17-I19 PolarHBondContact O-N 3.39Å; L17-L21 VanDerWaalsContact O-CB 3.25Å; L17-L21 WeakPolarHBondContact O-CB 3.34Å; L17-L21 PolarHBondContact O-N 3.07Å; L17-N314 VanDerWaalsContact CD2-CG 3.45Å; L17-N314 WeakPolarHBondContact CD2-ND2 3.07Å; L17-N314 WeakPolarHBondContact CD2-OD1 3.17Å |
| 18 | H | 85.5 | Confident | 83.5 | Confident | 91 Ų | 91 | 78 Ų | 78 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.7 | -33.3 | -179.9 | -159.3 | -39.8 | 0 | 0 | 0 | 111.7 | F11 K15 F16 K22 | F11-H18 HydrophobicContact CD1-CB 4.17Å; K15-H18 PolarHBondContact O-N 2.99Å; F16-H18 PolarHBondContact O-N 3.04Å; H18-K22 WeakPolarHBondContact CE1-CE 3.32Å; H18-K22 WeakPolarHBondContact ND1-CE 3.48Å; H18-K22 WeakPolarHBondContact O-CG 3.48Å; H18-K22 PolarHBondContact O-N 3.31Å; H18-K22 VanDerWaalsContact O-N 3.11Å |
| 19 | I | 88.7 | Confident | 84.5 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.1 | -49.8 | -178.8 | -62.4 | 170.5 | 0 | 0 | 0 | 110.2 | F16 L17 L21 K22 I23 I287 Y291 | F16-I19 PolarHBondContact O-N 3.48Å; L17-I19 VanDerWaalsContact C-N 3.28Å; L17-I19 PolarHBondContact O-N 3.39Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.06Å; I19-K22 WeakPolarHBondContact O-CB 3.48Å; I19-K22 PolarHBondContact O-N 3.28Å; I19-K22 VanDerWaalsContact O-N 3.1Å; I19-I23 HydrophobicContact CG2-CD1 4.2Å; I19-I23 WeakPolarHBondContact O-CG1 3.07Å; I19-I23 PolarHBondContact O-N 3.44Å; I19-I287 HydrophobicContact CG2-CD1 3.6Å; I19-I287 HydrophobicContact CG2-CG1 4.39Å; I19-I287 HydrophobicContact CG2-CG2 4.06Å; I19-Y291 HydrophobicContact CD1-CE2 3.73Å; I19-Y291 WeakPolarHBondContact CD1-OH 3.34Å |
| 20 | F | 89.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 176 | -74.6 | -65.9 | 0 | 0 | 0 | 112.2 | F16 K22 I23 N24 T284 I287 F288 L311 N314 F315 T318 | F16-F20 HydrophobicContact CB-CD2 4.28Å; F16-F20 HydrophobicContact CB-CE2 4.19Å; F16-F20 HydrophobicContact CD2-CD2 4.11Å; F16-F20 HydrophobicContact CD2-CE2 4.28Å; F16-F20 VanDerWaalsContact O-CD2 3.27Å; F16-F20 WeakPolarHBondContact O-CD2 3.01Å; F16-F20 PolarHBondContact O-N 3Å; F20-K22 VanDerWaalsContact C-N 3.34Å; F20-K22 PolarHBondContact O-N 2.74Å; F20-I23 HydrophobicContact CD1-CD1 4.41Å; F20-I23 PolarHBondContact O-N 2.73Å; F20-N24 VanDerWaalsContact O-CG 3.23Å; F20-N24 PolarHBondContact O-N 3.2Å; F20-N24 PolarHBondContact O-ND2 2.9Å; F20-T284 HydrophobicContact CD1-CG2 4.32Å; F20-T284 HydrophobicContact CE1-CG2 3.78Å; F20-I287 HydrophobicContact CE1-CG2 4.37Å; F20-I287 HydrophobicContact CE2-CG2 4.18Å; F20-I287 HydrophobicContact CZ-CG2 3.91Å; F20-F288 HydrophobicContact CZ-CB 4.4Å; F20-L311 HydrophobicContact CE2-CD1 3.82Å; F20-L311 HydrophobicContact CZ-CD1 4.45Å; F20-N314 HydrophobicContact CB-CB 4.41Å; F20-N314 HydrophobicContact CD2-CB 3.93Å; F20-N314 HydrophobicContact CG-CB 4.25Å; F20-F315 HydrophobicContact CE1-CD2 4.31Å; F20-F315 HydrophobicContact CZ-CB 4.43Å; F20-F315 HydrophobicContact CZ-CD2 4.45Å; F20-T318 HydrophobicContact CD1-CG2 4.08Å |
| 21 | L | 89.3 | Confident | 85.9 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 173.2 | -168.8 | 95.9 | 0 | 0 | 0 | 111.7 | F11 L17 I19 N24 I25 | F11-L21 HydrophobicContact CE1-CB 4.5Å; F11-L21 HydrophobicContact CE1-CD2 4.42Å; F11-L21 HydrophobicContact CZ-CD1 4.47Å; L17-L21 VanDerWaalsContact O-CB 3.25Å; L17-L21 WeakPolarHBondContact O-CB 3.34Å; L17-L21 PolarHBondContact O-N 3.07Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.06Å; L21-N24 PolarHBondContact O-N 3.23Å; L21-I25 HydrophobicContact CD2-CD1 3.97Å; L21-I25 HydrophobicContact CG-CD1 3.97Å; L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.04Å; L21-I25 PolarHBondContact O-N 2.85Å |
| 22 | K | 91.8 | Very high | 86.6 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 176.3 | -79.5 | -179.5 | 177.3 | -171.8 | 0 | 111.8 | H18 I19 F20 I25 L26 | H18-K22 WeakPolarHBondContact CE1-CE 3.32Å; H18-K22 WeakPolarHBondContact ND1-CE 3.48Å; H18-K22 WeakPolarHBondContact O-CG 3.48Å; H18-K22 PolarHBondContact O-N 3.31Å; H18-K22 VanDerWaalsContact O-N 3.11Å; I19-K22 WeakPolarHBondContact O-CB 3.48Å; I19-K22 PolarHBondContact O-N 3.28Å; I19-K22 VanDerWaalsContact O-N 3.1Å; F20-K22 VanDerWaalsContact C-N 3.34Å; F20-K22 PolarHBondContact O-N 2.74Å; K22-I25 PolarHBondContact O-N 3.07Å; K22-L26 VanDerWaalsContact O-CB 3.23Å; K22-L26 WeakPolarHBondContact O-CB 3.31Å; K22-L26 PolarHBondContact O-N 3.03Å |
| 23 | I | 91.2 | Very high | 87.4 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.4 | -67.3 | 168.8 | 0 | 0 | 0 | 110.4 | I19 F20 L26 S27 L280 I283 I287 T318 I322 | I19-I23 HydrophobicContact CG2-CD1 4.2Å; I19-I23 WeakPolarHBondContact O-CG1 3.07Å; I19-I23 PolarHBondContact O-N 3.44Å; F20-I23 HydrophobicContact CD1-CD1 4.41Å; F20-I23 PolarHBondContact O-N 2.73Å; I23-L26 PolarHBondContact O-N 2.92Å; I23-S27 WeakPolarHBondContact O-CB 3.17Å; I23-S27 PolarHBondContact O-N 3.49Å; I23-S27 PolarHBondContact O-OG 3.27Å; I23-L280 HydrophobicContact CG2-CD2 4.39Å; I23-I283 HydrophobicContact CD1-CG2 4.34Å; I23-I287 HydrophobicContact CD1-CD1 3.58Å; I23-T318 HydrophobicContact CG2-CG2 3.94Å; I23-I322 HydrophobicContact CG2-CD1 4.03Å |
| 24 | N | 90.2 | Very high | 87.8 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 179.9 | -66.7 | -16.2 | 0 | 0 | 0 | 111.5 | F20 L21 L26 S27 I28 T318 I321 | F20-N24 VanDerWaalsContact O-CG 3.23Å; F20-N24 PolarHBondContact O-N 3.2Å; F20-N24 PolarHBondContact O-ND2 2.9Å; L21-N24 PolarHBondContact O-N 3.23Å; N24-L26 PolarHBondContact O-N 2.73Å; N24-S27 PolarHBondContact O-N 2.93Å; N24-I28 WeakPolarHBondContact O-CG1 3.25Å; N24-I28 PolarHBondContact O-N 3.31Å; N24-T318 PolarHBondContact ND2-OG1 3.28Å; N24-T318 WeakPolarHBondContact OD1-CA 3.24Å; N24-T318 VanDerWaalsContact OD1-CB 3.3Å; N24-T318 WeakPolarHBondContact OD1-CB 3.47Å; N24-T318 WeakPolarHBondContact OD1-CG2 2.96Å; N24-T318 PolarHBondContact OD1-OG1 3.41Å; N24-I321 HydrophobicContact CB-CD1 4.31Å |
| 25 | I | 91.9 | Very high | 87.9 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 178.1 | -67.9 | 167.4 | 0 | 0 | 0 | 110.6 | L21 K22 S27 I28 L29 | L21-I25 HydrophobicContact CD2-CD1 3.97Å; L21-I25 HydrophobicContact CG-CD1 3.97Å; L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.04Å; L21-I25 PolarHBondContact O-N 2.85Å; K22-I25 PolarHBondContact O-N 3.07Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.3Å; I25-I28 PolarHBondContact O-N 2.82Å; I25-L29 VanDerWaalsContact O-CB 3.3Å; I25-L29 WeakPolarHBondContact O-CB 3.29Å; I25-L29 PolarHBondContact O-N 3.14Å |
| 26 | L | 91.4 | Very high | 87.9 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.9 | -175.1 | 69.9 | 0 | 0 | 0 | 111.4 | K22 I23 N24 I28 L29 I30 L280 | K22-L26 VanDerWaalsContact O-CB 3.23Å; K22-L26 WeakPolarHBondContact O-CB 3.31Å; K22-L26 PolarHBondContact O-N 3.03Å; I23-L26 PolarHBondContact O-N 2.92Å; N24-L26 PolarHBondContact O-N 2.73Å; L26-I28 PolarHBondContact O-N 3.42Å; L26-L29 PolarHBondContact O-N 3.28Å; L26-I30 HydrophobicContact CD1-CD1 4.04Å; L26-I30 HydrophobicContact CD1-CG1 4.35Å; L26-I30 HydrophobicContact CD2-CD1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.74Å; L26-I30 HydrophobicContact CG-CG1 4.38Å; L26-I30 WeakPolarHBondContact O-CB 3.45Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 2.94Å; L26-L280 HydrophobicContact CD2-CD2 4.24Å |
| 27 | S | 89.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 179.6 | -55 | 0 | 0 | 0 | 0 | 111.4 | I23 N24 I25 Y31 | I23-S27 WeakPolarHBondContact O-CB 3.17Å; I23-S27 PolarHBondContact O-N 3.49Å; I23-S27 PolarHBondContact O-OG 3.27Å; N24-S27 PolarHBondContact O-N 2.93Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.3Å; S27-Y31 WeakPolarHBondContact O-CB 3.45Å; S27-Y31 PolarHBondContact O-N 3.45Å |
| 28 | I | 91.5 | Very high | 86.8 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 177.2 | -67.1 | 167.1 | 0 | 0 | 0 | 110.3 | N24 I25 L26 Y31 F32 I321 L325 | N24-I28 WeakPolarHBondContact O-CG1 3.25Å; N24-I28 PolarHBondContact O-N 3.31Å; I25-I28 PolarHBondContact O-N 2.82Å; L26-I28 PolarHBondContact O-N 3.42Å; I28-Y31 PolarHBondContact O-N 2.94Å; I28-F32 HydrophobicContact CG2-CD2 3.71Å; I28-F32 HydrophobicContact CG2-CE2 3.86Å; I28-F32 WeakPolarHBondContact O-CD2 3.43Å; I28-F32 PolarHBondContact O-N 2.9Å; I28-I321 HydrophobicContact CG1-CG2 4.41Å; I28-L325 HydrophobicContact CG1-CD1 4.03Å |
| 29 | L | 91.9 | Very high | 86.1 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | -178.7 | -166 | 152.9 | 0 | 0 | 0 | 111.4 | I25 L26 Y31 F32 L33 | I25-L29 VanDerWaalsContact O-CB 3.3Å; I25-L29 WeakPolarHBondContact O-CB 3.29Å; I25-L29 PolarHBondContact O-N 3.14Å; L26-L29 PolarHBondContact O-N 3.28Å; L29-Y31 PolarHBondContact O-N 3.3Å; L29-F32 PolarHBondContact O-N 2.69Å; L29-L33 HydrophobicContact CD2-CD1 4.08Å; L29-L33 WeakPolarHBondContact O-CB 3.39Å; L29-L33 PolarHBondContact O-N 3.06Å |
| 30 | I | 87 | Confident | 85.3 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.3 | -69.7 | 170.6 | 0 | 0 | 0 | 110.7 | L26 F32 L33 L34 I276 | L26-I30 HydrophobicContact CD1-CD1 4.04Å; L26-I30 HydrophobicContact CD1-CG1 4.35Å; L26-I30 HydrophobicContact CD2-CD1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.74Å; L26-I30 HydrophobicContact CG-CG1 4.38Å; L26-I30 WeakPolarHBondContact O-CB 3.45Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 2.94Å; I30-F32 PolarHBondContact O-N 2.85Å; I30-L33 PolarHBondContact O-N 2.87Å; I30-L34 HydrophobicContact CG2-CD1 3.87Å; I30-L34 HydrophobicContact CG2-CG 4.47Å; I30-L34 WeakPolarHBondContact O-CB 3.33Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.49Å; I30-I276 HydrophobicContact CD1-CG2 3.88Å; I30-I276 HydrophobicContact CG2-CD1 4.35Å; I30-I276 HydrophobicContact CG2-CG2 4.12Å |
| 31 | Y | 86.4 | Confident | 84.2 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58 | -50.2 | 178.2 | 178.8 | -97.6 | 0 | 0 | 0 | 111.7 | S27 I28 L29 L33 L34 I35 P263 F264 F273 L325 | S27-Y31 WeakPolarHBondContact O-CB 3.45Å; S27-Y31 PolarHBondContact O-N 3.45Å; I28-Y31 PolarHBondContact O-N 2.94Å; L29-Y31 PolarHBondContact O-N 3.3Å; Y31-L33 PolarHBondContact O-N 3.33Å; Y31-L34 PolarHBondContact O-N 2.88Å; Y31-I35 HydrophobicContact CD1-CD1 3.75Å; Y31-I35 HydrophobicContact CE1-CD1 3.19Å; Y31-I35 HydrophobicContact CE1-CG1 4.29Å; Y31-I35 HydrophobicContact CE2-CD1 4.34Å; Y31-I35 WeakPolarHBondContact O-CG1 3.26Å; Y31-I35 PolarHBondContact O-N 3.12Å; Y31-P263 HydrophobicContact CE2-CG 4.35Å; Y31-F264 HydrophobicContact CD2-CZ 4.14Å; Y31-F264 HydrophobicContact CE2-CZ 4.17Å; Y31-F273 AromaticContact CD2-CE2 3.77Å; Y31-F273 HydrophobicContact CD2-CE2 3.77Å; Y31-F273 HydrophobicContact CD2-CZ 4.08Å; Y31-F273 HydrophobicContact CE2-CE2 4.47Å; Y31-F273 HydrophobicContact CE2-CZ 4.44Å; Y31-L325 HydrophobicContact CD1-CD2 3.78Å; Y31-L325 HydrophobicContact CD2-CB 4.32Å; Y31-L325 HydrophobicContact CD2-CD2 4.19Å; Y31-L325 HydrophobicContact CE1-CD2 4.12Å; Y31-L325 WeakPolarHBondContact CE2-O 3.46Å; Y31-L325 HydrophobicContact CG-CD2 3.81Å |
| 32 | F | 87.4 | Confident | 82.7 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.3 | -89.4 | -73.5 | 0 | 0 | 0 | 112.9 | I28 L29 I30 L34 I35 I36 | I28-F32 HydrophobicContact CG2-CD2 3.71Å; I28-F32 HydrophobicContact CG2-CE2 3.86Å; I28-F32 WeakPolarHBondContact O-CD2 3.43Å; I28-F32 PolarHBondContact O-N 2.9Å; L29-F32 PolarHBondContact O-N 2.69Å; I30-F32 PolarHBondContact O-N 2.85Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.23Å; F32-I35 PolarHBondContact O-N 3.16Å; F32-I36 VanDerWaalsContact O-CG1 3.31Å; F32-I36 WeakPolarHBondContact O-CG1 3.28Å; F32-I36 PolarHBondContact O-N 3.49Å |
| 33 | L | 87.8 | Confident | 81 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | -179.8 | -163 | 144.8 | 0 | 0 | 0 | 110.9 | L29 I30 Y31 I36 I37 | L29-L33 HydrophobicContact CD2-CD1 4.08Å; L29-L33 WeakPolarHBondContact O-CB 3.39Å; L29-L33 PolarHBondContact O-N 3.06Å; I30-L33 PolarHBondContact O-N 2.87Å; Y31-L33 PolarHBondContact O-N 3.33Å; L33-I36 PolarHBondContact O-N 3.1Å; L33-I37 HydrophobicContact CD2-CD1 3.5Å; L33-I37 HydrophobicContact CD2-CG1 4.27Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3Å |
| 34 | L | 81.8 | Confident | 79.3 | Confident | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 173.1 | -72.6 | 168.2 | 0 | 0 | 0 | 112.4 | I30 Y31 F32 I36 I37 N38 F264 L272 F273 | I30-L34 HydrophobicContact CG2-CD1 3.87Å; I30-L34 HydrophobicContact CG2-CG 4.47Å; I30-L34 WeakPolarHBondContact O-CB 3.33Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.49Å; Y31-L34 PolarHBondContact O-N 2.88Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.23Å; L34-I36 VanDerWaalsContact C-N 3.34Å; L34-I37 PolarHBondContact O-N 2.88Å; L34-N38 WeakPolarHBondContact O-CB 3.5Å; L34-N38 PolarHBondContact O-N 3.34Å; L34-F264 HydrophobicContact CB-CD1 4.01Å; L34-F264 HydrophobicContact CB-CE1 3.4Å; L34-F264 HydrophobicContact CB-CZ 3.86Å; L34-F264 HydrophobicContact CD1-CZ 4.47Å; L34-L272 HydrophobicContact CD2-CD2 4.02Å; L34-F273 HydrophobicContact CD1-CB 4.03Å; L34-F273 HydrophobicContact CD1-CD2 3.65Å; L34-F273 HydrophobicContact CD1-CG 4.35Å |
| 35 | I | 80.1 | Confident | 77.6 | Confident | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.185 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 173.7 | -73.7 | 177.1 | 0 | 0 | 0 | 110.6 | Y31 F32 N38 N39 F264 | Y31-I35 HydrophobicContact CD1-CD1 3.75Å; Y31-I35 HydrophobicContact CE1-CD1 3.19Å; Y31-I35 HydrophobicContact CE1-CG1 4.29Å; Y31-I35 HydrophobicContact CE2-CD1 4.34Å; Y31-I35 WeakPolarHBondContact O-CG1 3.26Å; Y31-I35 PolarHBondContact O-N 3.12Å; F32-I35 PolarHBondContact O-N 3.16Å; I35-N38 PolarHBondContact O-N 3.42Å; I35-N39 WeakPolarHBondContact O-CB 3.44Å; I35-N39 VanDerWaalsContact O-CG 3.29Å; I35-N39 PolarHBondContact O-N 3.44Å; I35-F264 HydrophobicContact CG1-CE1 3.87Å; I35-F264 HydrophobicContact CG1-CZ 4.42Å |
| 36 | I | 82.5 | Confident | 75.9 | Confident | 112 Ų | 112 | 76.6 Ų | 76.6 | 57% | 0.574 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.9 | -47.1 | 179.5 | -67.9 | 165.7 | 0 | 0 | 0 | 110.4 | F32 L33 L34 N38 N39 Y40 | F32-I36 VanDerWaalsContact O-CG1 3.31Å; F32-I36 WeakPolarHBondContact O-CG1 3.28Å; F32-I36 PolarHBondContact O-N 3.49Å; L33-I36 PolarHBondContact O-N 3.1Å; L34-I36 VanDerWaalsContact C-N 3.34Å; I36-N38 VanDerWaalsContact C-N 3.28Å; I36-N38 PolarHBondContact O-N 2.87Å; I36-N39 PolarHBondContact O-N 3.36Å; I36-Y40 VanDerWaalsContact O-CB 3.25Å; I36-Y40 WeakPolarHBondContact O-CB 3.26Å; I36-Y40 PolarHBondContact O-N 2.95Å |
| 37 | I | 78.2 | Confident | 74.3 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 30% | 0.303 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 176.1 | -71.4 | 172.7 | 0 | 0 | 0 | 110.2 | L33 L34 Y40 R41 | L33-I37 HydrophobicContact CD2-CD1 3.5Å; L33-I37 HydrophobicContact CD2-CG1 4.27Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3Å; L34-I37 PolarHBondContact O-N 2.88Å; I37-Y40 PolarHBondContact O-N 3.07Å; I37-R41 HydrophobicContact CG2-CG 4.33Å; I37-R41 VanDerWaalsContact O-CB 3.32Å; I37-R41 WeakPolarHBondContact O-CB 3.44Å; I37-R41 PolarHBondContact O-N 3Å |
| 38 | N | 69.5 | Low | 72.6 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.9 | -48.4 | -179.3 | -169.5 | 67.9 | 0 | 0 | 0 | 110.9 | L34 I35 I36 Y40 R41 F42 P263 F264 Y265 | L34-N38 WeakPolarHBondContact O-CB 3.5Å; L34-N38 PolarHBondContact O-N 3.34Å; I35-N38 PolarHBondContact O-N 3.42Å; I36-N38 VanDerWaalsContact C-N 3.28Å; I36-N38 PolarHBondContact O-N 2.87Å; N38-Y40 VanDerWaalsContact C-N 3.3Å; N38-Y40 PolarHBondContact O-N 3.34Å; N38-R41 PolarHBondContact O-N 3Å; N38-F42 HydrophobicContact CB-CD2 4.44Å; N38-F42 VanDerWaalsContact O-CB 3.28Å; N38-F42 WeakPolarHBondContact O-CB 3.36Å; N38-F42 WeakPolarHBondContact O-CD2 3.45Å; N38-F42 WeakPolarHBondContact O-CG 3.43Å; N38-F42 PolarHBondContact O-N 2.92Å; N38-F42 WeakPolarHBondContact OD1-CD2 3.44Å; N38-F42 WeakPolarHBondContact OD1-CE2 3.21Å; N38-P263 PolarHBondContact ND2-O 3.19Å; N38-F264 HydrophobicContact CB-CD1 4.17Å; N38-Y265 WeakPolarHBondContact ND2-CD2 3.27Å; N38-Y265 WeakPolarHBondContact ND2-CE2 3.24Å; N38-Y265 PolarHBondContact OD1-N 3.5Å |
| 39 | N | 70 | Confident | 70.9 | Confident | 94 Ų | 94 | 77.3 Ų | 77.3 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 177.2 | -70 | -8.7 | 0 | 0 | 0 | 112.7 | I35 I36 F42 | I35-N39 WeakPolarHBondContact O-CB 3.44Å; I35-N39 VanDerWaalsContact O-CG 3.29Å; I35-N39 PolarHBondContact O-N 3.44Å; I36-N39 PolarHBondContact O-N 3.36Å; N39-F42 CarbonylContact O-C 3.58Å |
| 40 | Y | 73.5 | Confident | 69.4 | Low | 199 Ų | 199 | 74.3 Ų | 74.3 | 78% | 0.78 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -80.2 | -35.9 | -179.3 | -168.5 | -91.4 | 0 | 0 | 0 | 113.3 | I36 I37 N38 F42 P43 | I36-Y40 VanDerWaalsContact O-CB 3.25Å; I36-Y40 WeakPolarHBondContact O-CB 3.26Å; I36-Y40 PolarHBondContact O-N 2.95Å; I37-Y40 PolarHBondContact O-N 3.07Å; N38-Y40 VanDerWaalsContact C-N 3.3Å; N38-Y40 PolarHBondContact O-N 3.34Å; Y40-F42 VanDerWaalsContact C-N 3.28Å; Y40-P43 WeakPolarHBondContact O-CD 3.46Å |
| 41 | R | 65.3 | Low | 68.2 | Low | 141 Ų | 141 | 74.9 Ų | 74.9 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.9 | -28 | 173.2 | -85.9 | -175.2 | 175.2 | 161.8 | -1.9 | 111.9 | I37 N38 P43 D269 | I37-R41 HydrophobicContact CG2-CG 4.33Å; I37-R41 VanDerWaalsContact O-CB 3.32Å; I37-R41 WeakPolarHBondContact O-CB 3.44Å; I37-R41 PolarHBondContact O-N 3Å; N38-R41 PolarHBondContact O-N 3Å; R41-P43 VanDerWaalsContact O-CD 3.26Å; R41-P43 WeakPolarHBondContact O-CD 3.32Å; R41-D269 IonicContact NH1-OD1 3.12Å; R41-D269 PolarHBondContact NH1-OD1 2.65Å; R41-D269 VanDerWaalsContact NH1-OD1 3.12Å; R41-D269 IonicContact NH1-OD2 3.36Å; R41-D269 PolarHBondContact NH1-OD2 3.3Å |
| 42 | F | 58.6 | Low | 66.8 | Low | 30 Ų | 30 | 73 Ų | 73 | 13% | 0.132 | 36% | 0.355 | C | S | . | . | trans | -120.4 | 53.5 | -172.7 | -49.9 | -50.7 | 0 | 0 | 0 | 112.8 | N38 N39 Y40 N44 H48 Y265 H266 | N38-F42 HydrophobicContact CB-CD2 4.44Å; N38-F42 VanDerWaalsContact O-CB 3.28Å; N38-F42 WeakPolarHBondContact O-CB 3.36Å; N38-F42 WeakPolarHBondContact O-CD2 3.45Å; N38-F42 WeakPolarHBondContact O-CG 3.43Å; N38-F42 PolarHBondContact O-N 2.92Å; N38-F42 WeakPolarHBondContact OD1-CD2 3.44Å; N38-F42 WeakPolarHBondContact OD1-CE2 3.21Å; N39-F42 CarbonylContact O-C 3.58Å; Y40-F42 VanDerWaalsContact C-N 3.28Å; F42-N44 PolarHBondContact O-N 2.97Å; F42-H48 AromaticContact CD1-CD2 3.95Å; F42-H48 AromaticContact CD1-CE1 3.29Å; F42-H48 WeakPolarHBondContact CD1-CE1 3.39Å; F42-H48 AromaticContact CD1-NE2 2.72Å; F42-H48 WeakPolarHBondContact CD1-NE2 3.4Å; F42-H48 AromaticContact CE1-CE1 3.35Å; F42-H48 WeakPolarHBondContact CE1-CE1 3.46Å; F42-H48 AromaticContact CE1-NE2 3.34Å; F42-H48 VanDerWaalsContact CE1-NE2 3.34Å; F42-H48 WeakPolarHBondContact CE1-NE2 3.42Å; F42-H48 AromaticContact CG-NE2 3.23Å; F42-H48 WeakPolarHBondContact CG-NE2 3.18Å; F42-Y265 HydrophobicContact CB-CD2 4.08Å; F42-Y265 AromaticContact CD2-CD2 3.78Å; F42-Y265 HydrophobicContact CD2-CD2 3.78Å; F42-Y265 HydrophobicContact CD2-CG 4.38Å; F42-Y265 HydrophobicContact CG-CD2 4.2Å; F42-H266 HydrophobicContact CE2-CB 3.85Å; F42-H266 HydrophobicContact CZ-CB 3.6Å; F42-H266 AromaticContact CZ-CD2 3.84Å | ||
| 43 | P | 55.6 | Low | 65.7 | Low | 107 Ų | 107 | 71.4 Ų | 71.4 | 70% | 0.695 | 35% | 0.345 | S | S | * | . | trans | -75.3 | -18.5 | -177.3 | 32.6 | -34.1 | 0 | 0 | 0 | 112.1 | Y40 R41 | Y40-P43 WeakPolarHBondContact O-CD 3.46Å; R41-P43 VanDerWaalsContact O-CD 3.26Å; R41-P43 WeakPolarHBondContact O-CD 3.32Å | ||
| 44 | N | 55.5 | Low | 64.7 | Low | 94 Ų | 94 | 70.8 Ų | 70.8 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | trans | -125.8 | 98.6 | -172.3 | -151.8 | -11.8 | 0 | 0 | 0 | 110.2 | F42 N46 Y47 | F42-N44 PolarHBondContact O-N 2.97Å; N44-N46 PolarHBondContact O-N 3.34Å; N44-N46 VanDerWaalsContact O-N 3.12Å; N44-Y47 WeakPolarHBondContact O-CB 3.45Å; N44-Y47 PolarHBondContact O-N 2.66Å | ||
| 45 | I | 53.7 | Low | 63.9 | Low | 66 Ų | 66 | 77.7 Ų | 77.7 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -51.4 | -35.2 | 178.1 | -66.9 | 167.9 | 0 | 0 | 0 | 111.1 | Y47 H48 A49 I444 L445 | I45-Y47 VanDerWaalsContact C-N 3.26Å; I45-Y47 PolarHBondContact O-N 3.07Å; I45-H48 PolarHBondContact O-N 3.43Å; I45-A49 PolarHBondContact O-N 2.97Å; I45-A49 VanDerWaalsContact O-N 3.17Å; I45-I444 HydrophobicContact CD1-CG2 4.24Å; I45-L445 HydrophobicContact CG2-CB 3.71Å; I45-L445 HydrophobicContact CG2-CD1 3.31Å; I45-L445 HydrophobicContact CG2-CG 4.08Å |
| 46 | N | 57 | Low | 63.1 | Low | 109 Ų | 109 | 76.8 Ų | 76.8 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.6 | -29.1 | 178.6 | -65.6 | -14.8 | 0 | 0 | 0 | 113.4 | N44 A49 S50 | N44-N46 PolarHBondContact O-N 3.34Å; N44-N46 VanDerWaalsContact O-N 3.12Å; N46-A49 PolarHBondContact O-N 3.31Å; N46-S50 WeakPolarHBondContact O-CB 3.33Å; N46-S50 PolarHBondContact O-N 3.48Å |
| 47 | Y | 57.8 | Low | 62.4 | Low | 146 Ų | 146 | 75.9 Ų | 75.9 | 57% | 0.573 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.7 | -37 | 177.1 | -179 | -107.2 | 0 | 0 | 0 | 111.6 | N44 I45 S50 I51 | N44-Y47 WeakPolarHBondContact O-CB 3.45Å; N44-Y47 PolarHBondContact O-N 2.66Å; I45-Y47 VanDerWaalsContact C-N 3.26Å; I45-Y47 PolarHBondContact O-N 3.07Å; Y47-S50 WeakPolarHBondContact O-CB 3.45Å; Y47-S50 PolarHBondContact O-N 3.3Å; Y47-I51 HydrophobicContact CD1-CD1 3.95Å; Y47-I51 HydrophobicContact CE1-CD1 3.3Å; Y47-I51 HydrophobicContact CE1-CG1 4.22Å; Y47-I51 HydrophobicContact CE2-CD1 4.34Å; Y47-I51 PolarHBondContact O-N 3.48Å |
| 48 | H | 53.7 | Low | 62.3 | Low | 23 Ų | 23 | 79.2 Ų | 79.2 | 11% | 0.106 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 173.4 | -80.7 | -75.6 | 0 | 0 | 0 | 112.4 | F42 I45 S50 I51 V52 Y452 | F42-H48 AromaticContact CD1-CD2 3.95Å; F42-H48 AromaticContact CD1-CE1 3.29Å; F42-H48 WeakPolarHBondContact CD1-CE1 3.39Å; F42-H48 AromaticContact CD1-NE2 2.72Å; F42-H48 WeakPolarHBondContact CD1-NE2 3.4Å; F42-H48 AromaticContact CE1-CE1 3.35Å; F42-H48 WeakPolarHBondContact CE1-CE1 3.46Å; F42-H48 AromaticContact CE1-NE2 3.34Å; F42-H48 VanDerWaalsContact CE1-NE2 3.34Å; F42-H48 WeakPolarHBondContact CE1-NE2 3.42Å; F42-H48 AromaticContact CG-NE2 3.23Å; F42-H48 WeakPolarHBondContact CG-NE2 3.18Å; I45-H48 PolarHBondContact O-N 3.43Å; H48-S50 PolarHBondContact O-N 2.81Å; H48-I51 PolarHBondContact O-N 3.4Å; H48-I51 VanDerWaalsContact O-N 3.17Å; H48-V52 WeakPolarHBondContact O-CB 2.94Å; H48-V52 VanDerWaalsContact O-CG2 3.25Å; H48-V52 WeakPolarHBondContact O-CG2 3.32Å; H48-V52 PolarHBondContact O-N 3.2Å; H48-Y452 PolarHBondContact ND1-OH 3.34Å |
| 49 | A | 55.7 | Low | 62.2 | Low | 7 Ų | 7 | 83.9 Ų | 83.9 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.9 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I45 N46 R53 Y109 | I45-A49 PolarHBondContact O-N 2.97Å; I45-A49 VanDerWaalsContact O-N 3.17Å; N46-A49 PolarHBondContact O-N 3.31Å; A49-R53 WeakPolarHBondContact O-CB 3.35Å; A49-R53 PolarHBondContact O-N 3.41Å; A49-Y109 HydrophobicContact CB-CE1 4.4Å; A49-Y109 HydrophobicContact CB-CE2 4.03Å |
| 50 | S | 60.4 | Low | 62.3 | Low | 34 Ų | 34 | 80.3 Ų | 80.3 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 174.4 | -166.9 | 0 | 0 | 0 | 0 | 113.7 | N46 Y47 H48 V52 R53 D54 | N46-S50 WeakPolarHBondContact O-CB 3.33Å; N46-S50 PolarHBondContact O-N 3.48Å; Y47-S50 WeakPolarHBondContact O-CB 3.45Å; Y47-S50 PolarHBondContact O-N 3.3Å; H48-S50 PolarHBondContact O-N 2.81Å; S50-V52 VanDerWaalsContact C-N 3.34Å; S50-V52 PolarHBondContact O-N 3.45Å; S50-R53 WeakPolarHBondContact O-CB 3.3Å; S50-R53 PolarHBondContact O-N 3.05Å; S50-D54 WeakPolarHBondContact O-CB 3.35Å; S50-D54 PolarHBondContact O-N 3.48Å |
| 51 | I | 61 | Low | 62.5 | Low | 46 Ų | 46 | 73.1 Ų | 73.1 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 179 | -72 | 176.1 | 0 | 0 | 0 | 111.3 | Y47 H48 R53 D54 R55 | Y47-I51 HydrophobicContact CD1-CD1 3.95Å; Y47-I51 HydrophobicContact CE1-CD1 3.3Å; Y47-I51 HydrophobicContact CE1-CG1 4.22Å; Y47-I51 HydrophobicContact CE2-CD1 4.34Å; Y47-I51 PolarHBondContact O-N 3.48Å; H48-I51 PolarHBondContact O-N 3.4Å; H48-I51 VanDerWaalsContact O-N 3.17Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-D54 PolarHBondContact O-N 3.18Å; I51-R55 WeakPolarHBondContact O-CB 3.15Å; I51-R55 WeakPolarHBondContact O-CG 3.37Å; I51-R55 PolarHBondContact O-N 3.26Å |
| 52 | V | 57.3 | Low | 63.2 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 176.8 | 170.9 | 0 | 0 | 0 | 0 | 108.6 | H48 S50 D54 R55 E56 V450 Y452 | H48-V52 WeakPolarHBondContact O-CB 2.94Å; H48-V52 VanDerWaalsContact O-CG2 3.25Å; H48-V52 WeakPolarHBondContact O-CG2 3.32Å; H48-V52 PolarHBondContact O-N 3.2Å; S50-V52 VanDerWaalsContact C-N 3.34Å; S50-V52 PolarHBondContact O-N 3.45Å; V52-D54 PolarHBondContact O-N 2.81Å; V52-R55 PolarHBondContact O-N 3.04Å; V52-E56 HydrophobicContact CG1-CG 4.26Å; V52-E56 WeakPolarHBondContact CG1-OE1 3.48Å; V52-E56 VanDerWaalsContact O-CB 3.31Å; V52-E56 WeakPolarHBondContact O-CB 3.49Å; V52-E56 WeakPolarHBondContact O-CG 3.47Å; V52-E56 PolarHBondContact O-N 2.99Å; V52-V450 HydrophobicContact CG2-CG1 4.04Å; V52-Y452 HydrophobicContact CG2-CE1 3.9Å |
| 53 | R | 64.5 | Low | 63.7 | Low | 85 Ų | 85 | 71.1 Ų | 71.1 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.1 | -50.1 | 174.3 | -174.9 | -163.7 | 59.7 | -177.5 | 3.9 | 112.6 | A49 S50 I51 R55 E56 E57 Y109 | A49-R53 WeakPolarHBondContact O-CB 3.35Å; A49-R53 PolarHBondContact O-N 3.41Å; S50-R53 WeakPolarHBondContact O-CB 3.3Å; S50-R53 PolarHBondContact O-N 3.05Å; I51-R53 VanDerWaalsContact C-N 3.33Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 2.57Å; R53-E56 CarbonylContact O-C 3.56Å; R53-E56 WeakPolarHBondContact O-CB 3.44Å; R53-E56 PolarHBondContact O-N 2.81Å; R53-E56 VanDerWaalsContact O-N 3.09Å; R53-E57 WeakPolarHBondContact CD-OE1 3.3Å; R53-E57 HydrophobicContact CG-CG 4.2Å; R53-E57 WeakPolarHBondContact CG-OE1 3.37Å; R53-E57 IonicContact NE-OE1 3.84Å; R53-E57 WeakPolarHBondContact O-CB 3.28Å; R53-E57 WeakPolarHBondContact O-CG 3.49Å; R53-E57 PolarHBondContact O-N 2.91Å; R53-Y109 HydrophobicContact CB-CD1 3.77Å; R53-Y109 HydrophobicContact CB-CE1 3.55Å; R53-Y109 HydrophobicContact CG-CD1 3.93Å; R53-Y109 HydrophobicContact CG-CE1 3.82Å |
| 54 | D | 67.2 | Low | 64.7 | Low | 76 Ų | 76 | 68.7 Ų | 68.7 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | -175.9 | -62.3 | -10.5 | 0 | 0 | 0 | 110.8 | S50 I51 V52 L58 | S50-D54 WeakPolarHBondContact O-CB 3.35Å; S50-D54 PolarHBondContact O-N 3.48Å; I51-D54 PolarHBondContact O-N 3.18Å; V52-D54 PolarHBondContact O-N 2.81Å; D54-L58 WeakPolarHBondContact O-CB 3.38Å; D54-L58 PolarHBondContact O-N 3.24Å |
| 55 | R | 65.1 | Low | 66 | Low | 154 Ų | 154 | 67.9 Ų | 67.9 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68 | -37.3 | 172.4 | -76.2 | -175.3 | 178 | 179.9 | 1.9 | 112.5 | I51 V52 R53 R59 | I51-R55 WeakPolarHBondContact O-CB 3.15Å; I51-R55 WeakPolarHBondContact O-CG 3.37Å; I51-R55 PolarHBondContact O-N 3.26Å; V52-R55 PolarHBondContact O-N 3.04Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 2.57Å; R55-R59 WeakPolarHBondContact O-CB 3.44Å; R55-R59 PolarHBondContact O-N 3.04Å |
| 56 | E | 62 | Low | 67.2 | Low | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.7 | -45.8 | 177.1 | -77.6 | 175.8 | -178.6 | 0 | 0 | 111.4 | V52 R53 L58 R59 L60 Y113 | V52-E56 HydrophobicContact CG1-CG 4.26Å; V52-E56 WeakPolarHBondContact CG1-OE1 3.48Å; V52-E56 VanDerWaalsContact O-CB 3.31Å; V52-E56 WeakPolarHBondContact O-CB 3.49Å; V52-E56 WeakPolarHBondContact O-CG 3.47Å; V52-E56 PolarHBondContact O-N 2.99Å; R53-E56 CarbonylContact O-C 3.56Å; R53-E56 WeakPolarHBondContact O-CB 3.44Å; R53-E56 PolarHBondContact O-N 2.81Å; R53-E56 VanDerWaalsContact O-N 3.09Å; E56-L58 VanDerWaalsContact C-N 3.32Å; E56-L58 PolarHBondContact O-N 3.44Å; E56-R59 PolarHBondContact O-N 2.83Å; E56-L60 VanDerWaalsContact O-CB 3.24Å; E56-L60 WeakPolarHBondContact O-CB 3.21Å; E56-L60 PolarHBondContact O-N 2.99Å; E56-Y113 WeakPolarHBondContact OE1-CE1 3.46Å |
| 57 | E | 69.7 | Low | 68 | Low | 93 Ų | 93 | 61.5 Ų | 61.5 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 173.4 | -76 | -178.8 | -173.1 | 0 | 0 | 110.8 | R53 L60 A61 | R53-E57 WeakPolarHBondContact CD-OE1 3.3Å; R53-E57 HydrophobicContact CG-CG 4.2Å; R53-E57 WeakPolarHBondContact CG-OE1 3.37Å; R53-E57 IonicContact NE-OE1 3.84Å; R53-E57 WeakPolarHBondContact O-CB 3.28Å; R53-E57 WeakPolarHBondContact O-CG 3.49Å; R53-E57 PolarHBondContact O-N 2.91Å; E57-L60 PolarHBondContact O-N 3.38Å; E57-A61 VanDerWaalsContact O-CB 3.27Å; E57-A61 WeakPolarHBondContact O-CB 3.48Å; E57-A61 PolarHBondContact O-N 3.25Å |
| 58 | L | 74.4 | Confident | 69.2 | Low | 129 Ų | 129 | 59.2 Ų | 59.2 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 174.1 | -172.2 | 89.8 | 0 | 0 | 0 | 111.8 | D54 E56 L60 A61 H62 | D54-L58 WeakPolarHBondContact O-CB 3.38Å; D54-L58 PolarHBondContact O-N 3.24Å; E56-L58 VanDerWaalsContact C-N 3.32Å; E56-L58 PolarHBondContact O-N 3.44Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 3.28Å; L58-H62 WeakPolarHBondContact O-CB 3.47Å; L58-H62 PolarHBondContact O-N 2.95Å |
| 59 | R | 68.6 | Low | 70.4 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | -179.9 | -174.7 | 174.2 | 174.5 | 172.1 | -2.6 | 111.2 | R55 E56 H62 L63 T120 | R55-R59 WeakPolarHBondContact O-CB 3.44Å; R55-R59 PolarHBondContact O-N 3.04Å; E56-R59 PolarHBondContact O-N 2.83Å; R59-H62 PolarHBondContact O-N 3.37Å; R59-L63 HydrophobicContact CG-CD1 4.33Å; R59-L63 WeakPolarHBondContact O-CB 3.28Å; R59-L63 PolarHBondContact O-N 3.16Å; R59-T120 PolarHBondContact NH2-OG1 3.17Å; R59-T120 VanDerWaalsContact NH2-OG1 3.15Å |
| 60 | L | 71.9 | Confident | 71.3 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 175.8 | -177.6 | 151 | 0 | 0 | 0 | 111.3 | E56 E57 L58 L63 R64 T115 | E56-L60 VanDerWaalsContact O-CB 3.24Å; E56-L60 WeakPolarHBondContact O-CB 3.21Å; E56-L60 PolarHBondContact O-N 2.99Å; E57-L60 PolarHBondContact O-N 3.38Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 2.91Å; L60-L63 PolarHBondContact O-N 3.39Å; L60-R64 HydrophobicContact CD2-CG 4.34Å; L60-R64 VanDerWaalsContact CD2-NH1 3.25Å; L60-R64 WeakPolarHBondContact O-CG 3.22Å; L60-R64 PolarHBondContact O-N 3.02Å; L60-T115 HydrophobicContact CD1-CG2 3.35Å; L60-T115 HydrophobicContact CG-CG2 4.12Å |
| 61 | A | 78.3 | Confident | 72.1 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E57 L58 L63 R64 T65 | E57-A61 VanDerWaalsContact O-CB 3.27Å; E57-A61 WeakPolarHBondContact O-CB 3.48Å; E57-A61 PolarHBondContact O-N 3.25Å; L58-A61 PolarHBondContact O-N 3.28Å; A61-L63 VanDerWaalsContact C-N 3.33Å; A61-L63 PolarHBondContact O-N 3.34Å; A61-R64 WeakPolarHBondContact O-CB 2.96Å; A61-R64 PolarHBondContact O-N 3.43Å; A61-T65 PolarHBondContact O-N 3.4Å; A61-T65 PolarHBondContact O-OG1 3.18Å |
| 62 | H | 79.2 | Confident | 73 | Confident | 119 Ų | 119 | 71 Ų | 71 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.3 | -39.6 | 177 | -176.8 | -132.5 | 0 | 0 | 0 | 112.6 | L58 R59 T65 L66 | L58-H62 WeakPolarHBondContact O-CB 3.47Å; L58-H62 PolarHBondContact O-N 2.95Å; R59-H62 PolarHBondContact O-N 3.37Å; H62-T65 PolarHBondContact O-N 2.88Å; H62-L66 WeakPolarHBondContact O-CG 3.35Å; H62-L66 PolarHBondContact O-N 3.3Å |
| 63 | L | 70 | Confident | 73.9 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 175.3 | -101 | 148.9 | 0 | 0 | 0 | 112.8 | R59 L60 A61 L66 M67 S119 K123 | R59-L63 HydrophobicContact CG-CD1 4.33Å; R59-L63 WeakPolarHBondContact O-CB 3.28Å; R59-L63 PolarHBondContact O-N 3.16Å; L60-L63 PolarHBondContact O-N 3.39Å; A61-L63 VanDerWaalsContact C-N 3.33Å; A61-L63 PolarHBondContact O-N 3.34Å; L63-L66 PolarHBondContact O-N 3Å; L63-M67 WeakPolarHBondContact O-CG 3.34Å; L63-M67 PolarHBondContact O-N 3.29Å; L63-S119 WeakPolarHBondContact CD1-OG 3.07Å; L63-S119 VanDerWaalsContact CD2-O 3.23Å; L63-S119 WeakPolarHBondContact CD2-O 3.45Å; L63-K123 HydrophobicContact CD2-CB 3.92Å |
| 64 | R | 76.6 | Confident | 74.1 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.4 | -49 | 171.6 | -80 | 178.8 | 163.3 | 154.7 | -3.9 | 110.7 | L60 A61 L66 M67 Y68 N155 E158 | L60-R64 HydrophobicContact CD2-CG 4.34Å; L60-R64 VanDerWaalsContact CD2-NH1 3.25Å; L60-R64 WeakPolarHBondContact O-CG 3.22Å; L60-R64 PolarHBondContact O-N 3.02Å; A61-R64 WeakPolarHBondContact O-CB 2.96Å; A61-R64 PolarHBondContact O-N 3.43Å; R64-L66 VanDerWaalsContact C-N 3.31Å; R64-L66 PolarHBondContact O-N 3.37Å; R64-M67 PolarHBondContact O-N 2.87Å; R64-M67 VanDerWaalsContact O-N 3.1Å; R64-Y68 WeakPolarHBondContact O-CD2 3.32Å; R64-Y68 PolarHBondContact O-N 3.32Å; R64-N155 PolarHBondContact NH2-OD1 2.86Å; R64-E158 IonicContact CZ-OE2 2.81Å; R64-E158 IonicContact NE-OE1 2.82Å; R64-E158 IonicContact NE-OE2 2.57Å; R64-E158 PolarHBondContact NE-OE2 3.4Å; R64-E158 IonicContact NH2-OE2 3.79Å; R64-E158 PolarHBondContact NH2-OE2 2.83Å |
| 65 | T | 82.5 | Confident | 73.9 | Confident | 77 Ų | 77 | 75.8 Ų | 75.8 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.7 | -47.1 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | A61 H62 M67 Y68 D69 | A61-T65 PolarHBondContact O-N 3.4Å; A61-T65 PolarHBondContact O-OG1 3.18Å; H62-T65 PolarHBondContact O-N 2.88Å; T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 2.92Å; T65-Y68 PolarHBondContact O-N 3.1Å; T65-D69 WeakPolarHBondContact O-CB 3.47Å; T65-D69 VanDerWaalsContact O-CG 3.23Å; T65-D69 PolarHBondContact O-N 3.09Å |
| 66 | L | 77.5 | Confident | 73.5 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 175.7 | -76.6 | 166.5 | 0 | 0 | 0 | 112.8 | H62 L63 R64 D69 W70 | H62-L66 WeakPolarHBondContact O-CG 3.35Å; H62-L66 PolarHBondContact O-N 3.3Å; L63-L66 PolarHBondContact O-N 3Å; R64-L66 VanDerWaalsContact C-N 3.31Å; R64-L66 PolarHBondContact O-N 3.37Å; L66-D69 PolarHBondContact O-N 3.02Å; L66-W70 HydrophobicContact CB-CH2 4.35Å; L66-W70 HydrophobicContact CB-CZ2 4.17Å; L66-W70 HydrophobicContact CD2-CZ2 4.43Å; L66-W70 VanDerWaalsContact O-CD2 3.23Å; L66-W70 PolarHBondContact O-N 3.18Å |
| 67 | M | 75.6 | Confident | 73 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 177.4 | -75.5 | -177.5 | 52.4 | 0 | 0 | 112 | L63 R64 T65 W70 Y71 I122 I159 L162 I163 | L63-M67 WeakPolarHBondContact O-CG 3.34Å; L63-M67 PolarHBondContact O-N 3.29Å; R64-M67 PolarHBondContact O-N 2.87Å; R64-M67 VanDerWaalsContact O-N 3.1Å; T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 2.92Å; M67-W70 HydrophobicContact CG-CE3 4.31Å; M67-W70 HydrophobicContact CG-CZ3 4.29Å; M67-W70 PolarHBondContact O-N 3.26Å; M67-Y71 WeakPolarHBondContact O-CB 3.44Å; M67-Y71 PolarHBondContact O-N 3.15Å; M67-I122 HydrophobicContact SD-CG2 4.36Å; M67-I159 HydrophobicContact CE-CB 4.25Å; M67-I159 HydrophobicContact CE-CG1 4.21Å; M67-I159 HydrophobicContact CE-CG2 3.96Å; M67-I159 HydrophobicContact SD-CG1 4.16Å; M67-I159 HydrophobicContact SD-CG2 4.28Å; M67-L162 HydrophobicContact CE-CB 3.74Å; M67-L162 HydrophobicContact CE-CD1 3.95Å; M67-I163 HydrophobicContact CE-CD1 3.4Å; M67-I163 HydrophobicContact CE-CG1 3.48Å; M67-I163 VanDerWaalsContact CE-CG1 3.48Å; M67-I163 HydrophobicContact SD-CD1 4.13Å |
| 68 | Y | 81.4 | Confident | 72.3 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.7 | -81.2 | -73.6 | 0 | 0 | 0 | 111.5 | R64 T65 W70 Y71 D72 E158 L162 | R64-Y68 WeakPolarHBondContact O-CD2 3.32Å; R64-Y68 PolarHBondContact O-N 3.32Å; T65-Y68 PolarHBondContact O-N 3.1Å; Y68-W70 VanDerWaalsContact C-N 3.28Å; Y68-W70 PolarHBondContact O-N 2.93Å; Y68-Y71 WeakPolarHBondContact O-CB 3.35Å; Y68-Y71 PolarHBondContact O-N 2.81Å; Y68-Y71 VanDerWaalsContact O-N 3.12Å; Y68-D72 WeakPolarHBondContact O-CB 3.41Å; Y68-D72 PolarHBondContact O-N 3.34Å; Y68-E158 PolarHBondContact OH-OE1 3.41Å; Y68-L162 HydrophobicContact CD1-CD2 3.99Å; Y68-L162 HydrophobicContact CD2-CD1 4.41Å; Y68-L162 HydrophobicContact CE1-CD1 4.22Å; Y68-L162 HydrophobicContact CE1-CD2 3.52Å; Y68-L162 HydrophobicContact CE1-CG 4.5Å; Y68-L162 HydrophobicContact CE2-CD1 3.9Å |
| 69 | D | 80.4 | Confident | 71.4 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.9 | -72 | -18.9 | 0 | 0 | 0 | 111.6 | T65 L66 Q73 | T65-D69 WeakPolarHBondContact O-CB 3.47Å; T65-D69 VanDerWaalsContact O-CG 3.23Å; T65-D69 PolarHBondContact O-N 3.09Å; L66-D69 PolarHBondContact O-N 3.02Å; D69-Q73 WeakPolarHBondContact O-CB 3.38Å; D69-Q73 WeakPolarHBondContact O-CG 3.31Å; D69-Q73 PolarHBondContact O-N 3.02Å; D69-Q73 VanDerWaalsContact O-N 3.13Å; D69-Q73 PolarHBondContact O-NE2 2.81Å |
| 70 | W | 74.7 | Confident | 71 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 175.3 | -63.1 | -23 | 0 | 0 | 0 | 112.2 | L66 M67 Y68 Q73 G74 K75 I76 I122 K123 F126 | L66-W70 HydrophobicContact CB-CH2 4.35Å; L66-W70 HydrophobicContact CB-CZ2 4.17Å; L66-W70 HydrophobicContact CD2-CZ2 4.43Å; L66-W70 VanDerWaalsContact O-CD2 3.23Å; L66-W70 PolarHBondContact O-N 3.18Å; M67-W70 HydrophobicContact CG-CE3 4.31Å; M67-W70 HydrophobicContact CG-CZ3 4.29Å; M67-W70 PolarHBondContact O-N 3.26Å; Y68-W70 VanDerWaalsContact C-N 3.28Å; Y68-W70 PolarHBondContact O-N 2.93Å; W70-Q73 PolarHBondContact O-N 3.2Å; W70-G74 PolarHBondContact O-N 2.81Å; W70-K75 PolarHBondContact O-N 2.82Å; W70-I76 HydrophobicContact CB-CD1 4.23Å; W70-I76 HydrophobicContact CB-CG1 3.71Å; W70-I76 PolarHBondContact O-N 2.91Å; W70-I122 HydrophobicContact CZ3-CG2 4.29Å; W70-K123 HydrophobicContact CH2-CB 4.14Å; W70-K123 HydrophobicContact CH2-CG 4.21Å; W70-F126 AromaticContact CD1-CE1 4Å; W70-F126 AromaticContact CD1-CZ 3.77Å; W70-F126 HydrophobicContact CD2-CD1 4.18Å; W70-F126 HydrophobicContact CD2-CD2 4.19Å; W70-F126 HydrophobicContact CD2-CE1 4.17Å; W70-F126 HydrophobicContact CD2-CE2 4.2Å; W70-F126 HydrophobicContact CD2-CG 4.18Å; W70-F126 HydrophobicContact CD2-CZ 4.18Å; W70-F126 AromaticContact CE2-CD1 3.57Å; W70-F126 AromaticContact CE2-CE1 3.53Å; W70-F126 AromaticContact CE2-CZ 3.97Å; W70-F126 HydrophobicContact CE3-CD2 4.32Å; W70-F126 HydrophobicContact CE3-CG 4.25Å; W70-F126 HydrophobicContact CG-CE1 4.43Å; W70-F126 HydrophobicContact CG-CE2 4.16Å; W70-F126 HydrophobicContact CG-CZ 4.06Å; W70-F126 HydrophobicContact CH2-CB 3.99Å; W70-F126 AromaticContact CH2-CD1 3.96Å; W70-F126 HydrophobicContact CH2-CD1 3.96Å; W70-F126 HydrophobicContact CH2-CG 4.03Å; W70-F126 HydrophobicContact CZ2-CB 4.35Å; W70-F126 AromaticContact CZ2-CD1 3.44Å; W70-F126 HydrophobicContact CZ2-CD1 3.44Å; W70-F126 VanDerWaalsContact CZ2-CD1 3.44Å; W70-F126 AromaticContact CZ2-CE1 3.85Å; W70-F126 HydrophobicContact CZ2-CE1 3.85Å; W70-F126 AromaticContact CZ2-CG 3.93Å; W70-F126 HydrophobicContact CZ2-CG 3.93Å; W70-F126 HydrophobicContact CZ3-CB 4.11Å; W70-F126 HydrophobicContact CZ3-CG 4.18Å; W70-F126 AromaticContact NE1-CD1 3.96Å; W70-F126 AromaticContact NE1-CE1 3.41Å; W70-F126 AromaticContact NE1-CZ 3.69Å |
| 71 | Y | 75.5 | Confident | 70.1 | Confident | 133 Ų | 133 | 67 Ų | 67 | 52% | 0.522 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 178.2 | -177.5 | -97.8 | 0 | 0 | 0 | 110.1 | M67 Y68 Q73 G74 I76 | M67-Y71 WeakPolarHBondContact O-CB 3.44Å; M67-Y71 PolarHBondContact O-N 3.15Å; Y68-Y71 WeakPolarHBondContact O-CB 3.35Å; Y68-Y71 PolarHBondContact O-N 2.81Å; Y68-Y71 VanDerWaalsContact O-N 3.12Å; Y71-Q73 VanDerWaalsContact C-N 3.28Å; Y71-Q73 PolarHBondContact O-N 2.75Å; Y71-G74 PolarHBondContact O-N 2.91Å; Y71-I76 VanDerWaalsContact CA-CD1 3.42Å; Y71-I76 VanDerWaalsContact CB-CD1 3.47Å; Y71-I76 HydrophobicContact CD2-CD1 4Å; Y71-I76 HydrophobicContact CG-CD1 4.23Å |
| 72 | D | 80 | Confident | 68.7 | Low | 127 Ų | 127 | 66.3 Ų | 66.3 | 68% | 0.679 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.2 | -32.8 | -179.9 | -75.8 | -8.3 | 0 | 0 | 0 | 112.4 | Y68 G74 | Y68-D72 WeakPolarHBondContact O-CB 3.41Å; Y68-D72 PolarHBondContact O-N 3.34Å; D72-G74 PolarHBondContact O-N 3.41Å |
| 73 | Q | 76.6 | Confident | 67.2 | Low | 106 Ų | 106 | 64.5 Ų | 64.5 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2 | 174.4 | -70.6 | 172.1 | 33.4 | 0 | 0 | 113.4 | D69 W70 Y71 K75 | D69-Q73 WeakPolarHBondContact O-CB 3.38Å; D69-Q73 WeakPolarHBondContact O-CG 3.31Å; D69-Q73 PolarHBondContact O-N 3.02Å; D69-Q73 VanDerWaalsContact O-N 3.13Å; D69-Q73 PolarHBondContact O-NE2 2.81Å; W70-Q73 PolarHBondContact O-N 3.2Å; Y71-Q73 VanDerWaalsContact C-N 3.28Å; Y71-Q73 PolarHBondContact O-N 2.75Å; Q73-K75 HydrophobicContact CB-CB 4.24Å; Q73-K75 HydrophobicContact CB-CD 4.03Å; Q73-K75 HydrophobicContact CB-CG 3.9Å; Q73-K75 PolarHBondContact O-N 2.9Å; Q73-K75 VanDerWaalsContact O-N 3.15Å; Q73-K75 VanDerWaalsContact OE1-CE 3.3Å |
| 74 | G | 68.2 | Low | 66.4 | Low | 61 Ų | 61 | 72.5 Ų | 72.5 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 17.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | W70 Y71 D72 I76 | W70-G74 PolarHBondContact O-N 2.81Å; Y71-G74 PolarHBondContact O-N 2.91Å; D72-G74 PolarHBondContact O-N 3.41Å; G74-I76 VanDerWaalsContact C-N 3.31Å |
| 75 | K | 64.6 | Low | 65.2 | Low | 109 Ų | 109 | 74.8 Ų | 74.8 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | trans | -90.6 | 6 | -177.9 | -72.9 | -176.4 | -171.9 | 164.4 | 0 | 112.8 | W70 Q73 P77 F126 | W70-K75 PolarHBondContact O-N 2.82Å; Q73-K75 HydrophobicContact CB-CB 4.24Å; Q73-K75 HydrophobicContact CB-CD 4.03Å; Q73-K75 HydrophobicContact CB-CG 3.9Å; Q73-K75 PolarHBondContact O-N 2.9Å; Q73-K75 VanDerWaalsContact O-N 3.15Å; Q73-K75 VanDerWaalsContact OE1-CE 3.3Å; K75-P77 WeakPolarHBondContact O-CD 3.5Å; K75-F126 HydrophobicContact CB-CE2 4.25Å; K75-F126 HydrophobicContact CB-CZ 4.4Å; K75-F126 WeakPolarHBondContact O-CE2 3.45Å | ||
| 76 | I | 56.2 | Low | 64 | Low | 37 Ų | 37 | 72.2 Ų | 72.2 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | trans | -85.8 | 96.7 | 165.3 | -56.6 | -173.3 | 0 | 0 | 0 | 107.9 | W70 Y71 G74 | W70-I76 HydrophobicContact CB-CD1 4.23Å; W70-I76 HydrophobicContact CB-CG1 3.71Å; W70-I76 PolarHBondContact O-N 2.91Å; Y71-I76 VanDerWaalsContact CA-CD1 3.42Å; Y71-I76 VanDerWaalsContact CB-CD1 3.47Å; Y71-I76 HydrophobicContact CD2-CD1 4Å; Y71-I76 HydrophobicContact CG-CD1 4.23Å; G74-I76 VanDerWaalsContact C-N 3.31Å | ||
| 77 | P | 51.8 | Low | 63.2 | Low | 57 Ų | 57 | 74.6 Ų | 74.6 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | trans | -123 | 91.3 | 142.1 | 19.9 | -0.2 | 0 | 0 | 0 | 107.1 | K75 V79 Y134 | K75-P77 WeakPolarHBondContact O-CD 3.5Å; P77-V79 PolarHBondContact O-N 3.28Å; P77-Y134 WeakPolarHBondContact CG-OH 3.18Å; P77-Y134 PolarHBondContact O-OH 3.11Å | ||
| 78 | F | 55.1 | Low | 62.9 | Low | 11 Ų | 11 | 82 Ų | 82 | 5% | 0.048 | 44% | 0.436 | C | S | . | . | trans | -64.1 | -18.5 | 156.3 | -104.4 | -91.4 | 0 | 0 | 0 | 112.2 | Y80 I122 I125 I163 S167 | F78-Y80 VanDerWaalsContact C-N 3.29Å; F78-Y80 PolarHBondContact O-N 2.95Å; F78-I122 HydrophobicContact CE2-CB 4.36Å; F78-I122 HydrophobicContact CE2-CG2 3.59Å; F78-I122 HydrophobicContact CZ-CB 3.93Å; F78-I122 HydrophobicContact CZ-CG1 4.03Å; F78-I122 HydrophobicContact CZ-CG2 3.66Å; F78-I122 WeakPolarHBondContact CZ-O 3.32Å; F78-I125 HydrophobicContact CD1-CG2 4.25Å; F78-I125 HydrophobicContact CE1-CB 3.81Å; F78-I125 HydrophobicContact CE1-CD1 3.62Å; F78-I125 HydrophobicContact CE1-CG1 4.29Å; F78-I125 HydrophobicContact CE1-CG2 3.51Å; F78-I125 HydrophobicContact CZ-CB 3.8Å; F78-I125 HydrophobicContact CZ-CD1 4.24Å; F78-I125 HydrophobicContact CZ-CG2 3.78Å; F78-I163 HydrophobicContact CB-CG2 3.68Å; F78-I163 HydrophobicContact CD1-CG2 4.16Å; F78-I163 HydrophobicContact CD2-CD1 4.47Å; F78-I163 HydrophobicContact CD2-CG1 4.37Å; F78-I163 HydrophobicContact CD2-CG2 3.57Å; F78-I163 HydrophobicContact CE2-CD1 4.33Å; F78-I163 HydrophobicContact CE2-CG2 4.31Å; F78-I163 HydrophobicContact CG-CG2 3.5Å; F78-I163 VanDerWaalsContact CG-CG2 3.5Å; F78-S167 VanDerWaalsContact CB-OG 3.28Å; F78-S167 WeakPolarHBondContact CB-OG 3.45Å | ||
| 79 | V | 55.2 | Low | 62.8 | Low | 42 Ų | 42 | 80.7 Ų | 80.7 | 26% | 0.255 | 43% | 0.432 | S | S | . | . | trans | -67.7 | 97 | 172.9 | -160.5 | 0 | 0 | 0 | 0 | 107.3 | P77 Q81 | P77-V79 PolarHBondContact O-N 3.28Å; V79-Q81 HydrophobicContact CB-CG 4.14Å; V79-Q81 HydrophobicContact CG1-CG 3.48Å; V79-Q81 VanDerWaalsContact CG1-CG 3.48Å; V79-Q81 PolarHBondContact O-N 3.38Å | ||
| 80 | Y | 59.9 | Low | 63 | Low | 11 Ų | 11 | 78 Ų | 78 | 4% | 0.043 | 42% | 0.417 | C | S | . | . | trans | -58.6 | 77.1 | 155.3 | -90.3 | -101.1 | 0 | 0 | 0 | 107.1 | F78 A82 I129 Y134 F136 K137 I139 | F78-Y80 VanDerWaalsContact C-N 3.29Å; F78-Y80 PolarHBondContact O-N 2.95Å; Y80-A82 PolarHBondContact O-N 3.2Å; Y80-I129 HydrophobicContact CE2-CD1 3.95Å; Y80-I129 HydrophobicContact CE2-CG1 4.34Å; Y80-Y134 AromaticContact CD1-CD1 3.62Å; Y80-Y134 HydrophobicContact CD1-CD1 3.62Å; Y80-Y134 HydrophobicContact CD1-CG 4.34Å; Y80-Y134 HydrophobicContact CD2-CD1 4.26Å; Y80-Y134 AromaticContact CE1-CD1 3.6Å; Y80-Y134 HydrophobicContact CE1-CD1 3.6Å; Y80-Y134 HydrophobicContact CE1-CG 4.25Å; Y80-Y134 HydrophobicContact CE2-CD1 4.24Å; Y80-Y134 AromaticContact CG-CD1 3.95Å; Y80-Y134 HydrophobicContact CG-CD1 3.95Å; Y80-Y134 HydrophobicContact CG-CE1 4.46Å; Y80-Y134 AromaticContact CZ-CD1 3.92Å; Y80-F136 VanDerWaalsContact CD1-O 3.25Å; Y80-F136 WeakPolarHBondContact CD1-O 3.41Å; Y80-F136 HydrophobicContact CE1-CB 3.79Å; Y80-F136 WeakPolarHBondContact CE1-O 3.33Å; Y80-K137 WeakPolarHBondContact CD1-O 2.9Å; Y80-I139 HydrophobicContact CD2-CB 4.29Å; Y80-I139 HydrophobicContact CD2-CG1 4.38Å; Y80-I139 HydrophobicContact CE2-CB 3.88Å; Y80-I139 HydrophobicContact CE2-CD1 3.73Å; Y80-I139 HydrophobicContact CE2-CG1 3.62Å; Y80-I139 VanDerWaalsContact OH-CD1 3.31Å; Y80-I139 WeakPolarHBondContact OH-CD1 3.35Å | ||
| 81 | Q | 52.5 | Low | 63.6 | Low | 168 Ų | 168 | 76.9 Ų | 76.9 | 79% | 0.785 | 41% | 0.413 | S | S | * | . | trans | -74.3 | 80.9 | 164.7 | -73.1 | -170.6 | -12.8 | 0 | 0 | 105.7 | V79 P83 | V79-Q81 HydrophobicContact CB-CG 4.14Å; V79-Q81 HydrophobicContact CG1-CG 3.48Å; V79-Q81 VanDerWaalsContact CG1-CG 3.48Å; V79-Q81 PolarHBondContact O-N 3.38Å; Q81-P83 WeakPolarHBondContact O-CD 3.38Å | ||
| 82 | A | 49.4 | Very low | 64.3 | Low | 33 Ų | 33 | 70.6 Ų | 70.6 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | trans | -65.2 | 114.8 | 176 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y80 Q84 L86 K137 | Y80-A82 PolarHBondContact O-N 3.2Å; A82-Q84 PolarHBondContact O-N 3.32Å; A82-L86 HydrophobicContact CB-CB 4.05Å; A82-L86 HydrophobicContact CB-CD1 3.54Å; A82-L86 HydrophobicContact CB-CG 4.42Å; A82-K137 HydrophobicContact CB-CG 4.37Å; A82-K137 WeakPolarHBondContact CB-O 3.42Å | ||
| 83 | P | 47.7 | Very low | 64.8 | Low | 81 Ų | 81 | 64.5 Ų | 64.5 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | trans | -52.2 | 141.4 | 161.7 | 20.4 | -32.6 | 0 | 0 | 0 | 108.9 | Q81 S85 L86 | Q81-P83 WeakPolarHBondContact O-CD 3.38Å; P83-S85 PolarHBondContact O-N 2.89Å; P83-L86 HydrophobicContact CG-CD1 3.91Å; P83-L86 HydrophobicContact CG-CG 4.43Å; P83-L86 PolarHBondContact O-N 3.36Å | ||
| 84 | Q | 52.9 | Low | 65.6 | Low | 178 Ų | 178 | 59.5 Ų | 59.5 | 83% | 0.832 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -48.7 | -19.8 | -176.8 | -71 | 179.3 | -17.2 | 0 | 0 | 114.1 | A82 L86 | A82-Q84 PolarHBondContact O-N 3.32Å; Q84-L86 PolarHBondContact O-N 3.09Å; Q84-L86 VanDerWaalsContact O-N 3.16Å |
| 85 | S | 51.5 | Low | 66.8 | Low | 105 Ų | 105 | 56.6 Ų | 56.6 | 73% | 0.734 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -63.3 | -8.7 | 172.9 | 57 | 0 | 0 | 0 | 0 | 115.6 | P83 | P83-S85 PolarHBondContact O-N 2.89Š|
| 86 | L | 58 | Low | 68 | Low | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -94.2 | 11.5 | -177 | -71.5 | 163.9 | 0 | 0 | 0 | 114.5 | A82 P83 Q84 N88 K89 | A82-L86 HydrophobicContact CB-CB 4.05Å; A82-L86 HydrophobicContact CB-CD1 3.54Å; A82-L86 HydrophobicContact CB-CG 4.42Å; P83-L86 HydrophobicContact CG-CD1 3.91Å; P83-L86 HydrophobicContact CG-CG 4.43Å; P83-L86 PolarHBondContact O-N 3.36Å; Q84-L86 PolarHBondContact O-N 3.09Å; Q84-L86 VanDerWaalsContact O-N 3.16Å; L86-N88 PolarHBondContact O-N 2.78Å; L86-K89 HydrophobicContact CD2-CD 3.44Å; L86-K89 VanDerWaalsContact CD2-CD 3.44Å; L86-K89 HydrophobicContact CD2-CG 3.8Å; L86-K89 WeakPolarHBondContact O-CB 3.33Å; L86-K89 PolarHBondContact O-N 2.79Å |
| 87 | N | 60.4 | Low | 69.4 | Low | 90 Ų | 90 | 49.9 Ų | 49.9 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.7 | -176.6 | -78.9 | -10.5 | 0 | 0 | 0 | 115 | ||
| 88 | N | 68.6 | Low | 70.7 | Confident | 156 Ų | 156 | 47.3 Ų | 47.3 | 83% | 0.834 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.4 | 177.3 | -68.3 | -1.6 | 0 | 0 | 0 | 114 | L86 | L86-N88 PolarHBondContact O-N 2.78Š|
| 89 | K | 78.9 | Confident | 71.5 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -91.4 | 151.6 | 178.7 | -56.3 | -148.9 | -170.4 | 154.9 | 0 | 110.8 | L86 Y134 R135 K137 | L86-K89 HydrophobicContact CD2-CD 3.44Å; L86-K89 VanDerWaalsContact CD2-CD 3.44Å; L86-K89 HydrophobicContact CD2-CG 3.8Å; L86-K89 WeakPolarHBondContact O-CB 3.33Å; L86-K89 PolarHBondContact O-N 2.79Å; K89-Y134 PolarHBondContact NZ-O 3.08Å; K89-R135 WeakPolarHBondContact CD-O 3.38Å; K89-K137 HydrophobicContact CB-CB 4.21Å |
| 90 | H | 85.5 | Confident | 72 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 140.5 | 177.5 | -57.4 | -85.5 | 0 | 0 | 0 | 111 | F136 K137 N212 Y214 I236 | H90-F136 WeakPolarHBondContact O-CA 3.35Å; H90-K137 PolarHBondContact O-N 2.68Å; H90-N212 PolarHBondContact ND1-O 3.45Å; H90-Y214 HydrophobicContact CB-CD2 4.37Å; H90-Y214 HydrophobicContact CB-CE2 4.4Å; H90-Y214 AromaticContact ND1-CE2 3.75Å; H90-I236 HydrophobicContact CB-CG2 3.66Å; H90-I236 WeakPolarHBondContact CD2-CG2 3.2Å |
| 91 | G | 86.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 155.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y138 D213 Y214 | G91-Y138 WeakPolarHBondContact CA-O 3.25Å; G91-D213 WeakPolarHBondContact CA-OD1 3.42Å; G91-D213 PolarHBondContact N-OD1 2.86Å; G91-Y214 PolarHBondContact O-N 2.94Å |
| 92 | I | 90.2 | Very high | 72.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.9 | 175.9 | -59.8 | -178.6 | 0 | 0 | 0 | 109.6 | I94 F136 Y138 I139 Y140 Y214 L216 L232 I236 | I92-I94 HydrophobicContact CG2-CG1 3.95Å; I92-F136 HydrophobicContact CD1-CD1 3.67Å; I92-F136 HydrophobicContact CD1-CE1 3.3Å; I92-F136 HydrophobicContact CD1-CZ 3.87Å; I92-F136 HydrophobicContact CG1-CD1 3.94Å; I92-F136 HydrophobicContact CG1-CE1 4.05Å; I92-Y138 PolarHBondContact N-O 3.16Å; I92-I139 VanDerWaalsContact O-CA 3.32Å; I92-I139 WeakPolarHBondContact O-CA 3.39Å; I92-Y140 PolarHBondContact O-N 2.87Å; I92-Y214 CarbonylContact C-O 3.54Å; I92-Y214 WeakPolarHBondContact CA-O 3.28Å; I92-L216 HydrophobicContact CG2-CB 4.46Å; I92-L232 HydrophobicContact CD1-CB 4.46Å; I92-L232 HydrophobicContact CD1-CD1 4.36Å; I92-I236 HydrophobicContact CD1-CD1 3.65Å; I92-I236 HydrophobicContact CG1-CD1 4.07Å |
| 93 | V | 91.7 | Very high | 72.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.5 | 163.3 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | Y138 Y140 M142 L202 I203 Y214 I215 L216 | V93-Y138 HydrophobicContact CG2-CE2 3.78Å; V93-Y140 CarbonylContact C-O 3.57Å; V93-Y140 WeakPolarHBondContact CA-O 3.42Å; V93-Y140 HydrophobicContact CG2-CD2 4.27Å; V93-M142 HydrophobicContact CG1-CB 4.31Å; V93-L202 HydrophobicContact CG1-CD2 4.28Å; V93-I203 HydrophobicContact CB-CD1 4.15Å; V93-I203 HydrophobicContact CG2-CD1 3.36Å; V93-I203 HydrophobicContact CG2-CG1 3.38Å; V93-Y214 PolarHBondContact N-O 3.1Å; V93-I215 HydrophobicContact CB-CG1 4.39Å; V93-I215 CarbonylContact O-C 3.56Å; V93-I215 VanDerWaalsContact O-CA 3.31Å; V93-I215 WeakPolarHBondContact O-CA 3.46Å; V93-L216 PolarHBondContact O-N 3.43Å |
| 94 | I | 93.6 | Very high | 73.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 106.3 | 176.2 | -50.7 | -178.3 | 0 | 0 | 0 | 108 | I92 L121 I139 Y140 I141 M142 L216 I218 F229 | I92-I94 HydrophobicContact CG2-CG1 3.95Å; I94-L121 HydrophobicContact CD1-CD2 4.2Å; I94-L121 HydrophobicContact CG2-CD1 3.97Å; I94-I139 HydrophobicContact CD1-CG2 4.03Å; I94-I139 HydrophobicContact CG1-CG2 4.37Å; I94-Y140 PolarHBondContact N-O 3.49Å; I94-I141 HydrophobicContact CB-CG1 4.47Å; I94-I141 CarbonylContact O-C 3.55Å; I94-I141 WeakPolarHBondContact O-CA 3.23Å; I94-M142 PolarHBondContact O-N 2.85Å; I94-L216 CarbonylContact C-O 3.51Å; I94-L216 WeakPolarHBondContact CA-O 3.45Å; I94-L216 HydrophobicContact CD1-CD2 4.37Å; I94-L216 HydrophobicContact CG1-CB 4.38Å; I94-L216 HydrophobicContact CG1-CD2 4.16Å; I94-L216 HydrophobicContact CG2-CD2 4.05Å; I94-L216 HydrophobicContact CG2-CG 4.21Å; I94-I218 HydrophobicContact CG2-CD1 4.17Å; I94-I218 HydrophobicContact CG2-CG1 4.44Å; I94-F229 HydrophobicContact CD1-CE1 4.23Å; I94-F229 HydrophobicContact CD1-CZ 3.9Å |
| 95 | S | 92.6 | Very high | 73.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115.7 | -179.5 | -51.1 | 0 | 0 | 0 | 0 | 109.8 | M142 S199 L216 I217 I218 | S95-M142 CarbonylContact C-O 3.56Å; S95-M142 WeakPolarHBondContact CA-O 3.35Å; S95-S199 PolarHBondContact OG-OG 2.82Å; S95-L216 PolarHBondContact N-O 3.36Å; S95-I217 WeakPolarHBondContact O-CA 3.31Å; S95-I218 PolarHBondContact O-N 2.98Å |
| 96 | I | 90.5 | Very high | 73.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.2 | 179.7 | -46.6 | -175.1 | 0 | 0 | 0 | 108.7 | L114 L118 L121 I141 M142 C144 I218 E220 | I96-L114 HydrophobicContact CB-CD1 4.39Å; I96-L114 HydrophobicContact CD1-CD1 4.5Å; I96-L114 HydrophobicContact CG2-CD1 3.6Å; I96-L118 HydrophobicContact CD1-CD1 4.3Å; I96-L121 HydrophobicContact CD1-CD1 3.89Å; I96-I141 HydrophobicContact CD1-CG2 3.92Å; I96-I141 HydrophobicContact CG1-CG2 4.22Å; I96-M142 PolarHBondContact N-O 3.26Å; I96-C144 WeakPolarHBondContact O-CB 3.36Å; I96-C144 PolarHBondContact O-N 3.05Å; I96-I218 CarbonylContact C-O 3.51Å; I96-I218 WeakPolarHBondContact CA-O 3.35Å; I96-I218 HydrophobicContact CB-CG1 4.29Å; I96-I218 HydrophobicContact CD1-CD1 4.32Å; I96-I218 HydrophobicContact CG1-CD1 3.96Å; I96-I218 HydrophobicContact CG1-CG1 3.92Å; I96-I218 HydrophobicContact CG2-CG1 4.25Å; I96-E220 HydrophobicContact CG2-CB 4.16Å |
| 97 | M | 84.5 | Confident | 73 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 122.3 | 173.9 | -73.1 | -63.2 | -55.6 | 0 | 0 | 110.2 | C144 D191 M192 C195 I217 I218 E220 | M97-C144 HydrophobicContact SD-CB 4.01Å; M97-D191 HydrophobicContact CE-CB 3.99Å; M97-M192 HydrophobicContact CE-CB 4.35Å; M97-M192 HydrophobicContact CE-SD 4.35Å; M97-M192 HydrophobicContact CG-SD 3.81Å; M97-M192 HydrophobicContact SD-SD 3.84Å; M97-C195 HydrophobicContact SD-CB 3.4Å; M97-C195 WeakPolarHBondContact SD-CB 3.5Å; M97-C195 PolarHBondContact SD-SG 3.35Å; M97-I217 HydrophobicContact CG-CG2 4.01Å; M97-I218 PolarHBondContact N-O 3.47Å; M97-E220 PolarHBondContact O-N 3.39Å |
| 98 | T | 79.7 | Confident | 72.8 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | trans | -105 | 154.9 | 175.1 | 80.8 | 0 | 0 | 0 | 0 | 111 | L114 I143 C144 L145 N146 | T98-L114 HydrophobicContact CG2-CD1 4.03Å; T98-L114 HydrophobicContact CG2-CD2 3.52Å; T98-L114 HydrophobicContact CG2-CG 4.42Å; T98-I143 HydrophobicContact CG2-CG2 3.77Å; T98-C144 PolarHBondContact N-O 2.8Å; T98-C144 PolarHBondContact OG1-O 3.42Å; T98-L145 HydrophobicContact CG2-CD2 4.09Å; T98-N146 PolarHBondContact O-ND2 3.41Å | ||
| 99 | S | 71 | Confident | 72.3 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | trans | -65.7 | 157.1 | 169.4 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | R101 I106 Q110 E220 | S99-R101 PolarHBondContact O-N 3.39Å; S99-I106 VanDerWaalsContact OG-CD1 3.23Å; S99-I106 WeakPolarHBondContact OG-CD1 3.23Å; S99-Q110 PolarHBondContact OG-NE2 3.44Å; S99-E220 WeakPolarHBondContact CB-OE1 3.23Å; S99-E220 PolarHBondContact N-OE1 3.24Å; S99-E220 VanDerWaalsContact N-OE1 3.12Å; S99-E220 PolarHBondContact OG-OE1 3.48Å | ||
| 100 | N | 67.4 | Low | 71.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.032 | 20% | 0.195 | C | C | . | . | trans | -80.8 | 96.1 | 172.4 | -176.8 | -7.8 | 0 | 0 | 0 | 111.3 | V102 Q103 Y104 N146 | N100-V102 PolarHBondContact O-N 2.9Å; N100-V102 PolarHBondContact OD1-N 2.97Å; N100-Q103 PolarHBondContact ND2-OE1 3.35Å; N100-Q103 PolarHBondContact O-N 3.4Å; N100-Y104 HydrophobicContact CB-CD2 4.12Å; N100-Y104 HydrophobicContact CB-CE2 3.95Å; N100-Y104 WeakPolarHBondContact O-CD2 3.34Å; N100-Y104 PolarHBondContact O-N 2.92Å; N100-Y104 VanDerWaalsContact O-N 3.16Å; N100-N146 VanDerWaalsContact CA-O 3.28Å; N100-N146 WeakPolarHBondContact CA-O 3.32Å; N100-N146 HydrophobicContact CB-CB 4.25Å; N100-N146 PolarHBondContact OD1-O 3.1Å | ||
| 101 | R | 64.2 | Low | 70.2 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.1 | -172 | -45.1 | -150.9 | 177.2 | 174 | -5.3 | 115.2 | S99 I106 Q110 P111 T148 E220 | S99-R101 PolarHBondContact O-N 3.39Å; R101-I106 HydrophobicContact CB-CD1 3.52Å; R101-I106 HydrophobicContact CG-CD1 3.27Å; R101-Q110 PolarHBondContact NH2-O 3.18Å; R101-P111 VanDerWaalsContact NH1-CA 3.25Å; R101-T148 HydrophobicContact CB-CG2 3.69Å; R101-T148 WeakPolarHBondContact CB-OG1 3.49Å; R101-T148 HydrophobicContact CG-CG2 3.72Å; R101-T148 VanDerWaalsContact CG-OG1 3.25Å; R101-T148 WeakPolarHBondContact CG-OG1 3.15Å; R101-T148 PolarHBondContact N-OG1 3.18Å; R101-E220 IonicContact CZ-OE2 2.67Å; R101-E220 IonicContact NH2-OE2 2.76Å; R101-E220 PolarHBondContact NH2-OE2 2.8Å |
| 102 | V | 61.5 | Low | 69.5 | Low | 92 Ų | 92 | 41.5 Ų | 41.5 | 56% | 0.558 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -33.8 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | N100 G147 | N100-V102 PolarHBondContact O-N 2.9Å; N100-V102 PolarHBondContact OD1-N 2.97Å; V102-G147 WeakPolarHBondContact CG2-O 3.2Å |
| 103 | Q | 54.9 | Low | 68.8 | Low | 89 Ų | 89 | 41.7 Ų | 41.7 | 42% | 0.416 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -35.7 | -177.1 | -94.2 | 174.3 | -30.1 | 0 | 0 | 113.4 | N100 | N100-Q103 PolarHBondContact ND2-OE1 3.35Å; N100-Q103 PolarHBondContact O-N 3.4Å |
| 104 | Y | 57.2 | Low | 68.3 | Low | 66 Ų | 66 | 41.7 Ų | 41.7 | 26% | 0.259 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -87.9 | 129 | 176.6 | -55.9 | -64.9 | 0 | 0 | 0 | 108.8 | N100 I106 I184 | N100-Y104 HydrophobicContact CB-CD2 4.12Å; N100-Y104 HydrophobicContact CB-CE2 3.95Å; N100-Y104 WeakPolarHBondContact O-CD2 3.34Å; N100-Y104 PolarHBondContact O-N 2.92Å; N100-Y104 VanDerWaalsContact O-N 3.16Å; Y104-I106 WeakPolarHBondContact O-CG1 3.35Å; Y104-I106 PolarHBondContact O-N 3.28Å; Y104-I184 HydrophobicContact CE1-CD1 4.05Å; Y104-I184 HydrophobicContact CE1-CG1 4.3Å; Y104-I184 WeakPolarHBondContact OH-CG1 3.25Å; Y104-I184 WeakPolarHBondContact OH-CG2 3.33Å |
| 105 | Q | 48.5 | Very low | 67.7 | Low | 203 Ų | 203 | 41.8 Ų | 41.8 | 95% | 0.949 | 21% | 0.21 | S | C | * | . | trans | -66.5 | 88.3 | 162.2 | -90.2 | -173.8 | -16.2 | 0 | 0 | 107 | ||||
| 106 | I | 54.1 | Low | 67 | Low | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.185 | 21% | 0.214 | C | C | . | . | trans | -78.1 | 124.1 | 179.3 | -73 | -174.4 | 0 | 0 | 0 | 107.5 | S99 R101 Y104 Q110 | S99-I106 VanDerWaalsContact OG-CD1 3.23Å; S99-I106 WeakPolarHBondContact OG-CD1 3.23Å; R101-I106 HydrophobicContact CB-CD1 3.52Å; R101-I106 HydrophobicContact CG-CD1 3.27Å; Y104-I106 WeakPolarHBondContact O-CG1 3.35Å; Y104-I106 PolarHBondContact O-N 3.28Å; I106-Q110 VanDerWaalsContact CG1-OE1 3.24Å; I106-Q110 HydrophobicContact CG2-CB 3.3Å; I106-Q110 HydrophobicContact CG2-CG 3.97Å | ||
| 107 | D | 52.5 | Low | 66.7 | Low | 54 Ų | 54 | 42.8 Ų | 42.8 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | trans | -62.2 | 152.8 | 173.4 | -164.3 | -2.2 | 0 | 0 | 0 | 109.7 | Y109 Q110 Y432 | D107-Y109 HydrophobicContact CB-CD2 4.24Å; D107-Y109 VanDerWaalsContact CG-CD2 3.46Å; D107-Y109 PolarHBondContact O-N 3.14Å; D107-Y109 VanDerWaalsContact OD2-CD2 3.24Å; D107-Y109 WeakPolarHBondContact OD2-CD2 3.49Å; D107-Y109 VanDerWaalsContact OD2-CE2 3.27Å; D107-Y109 WeakPolarHBondContact OD2-CE2 3.44Å; D107-Q110 PolarHBondContact O-N 3.22Å; D107-Q110 VanDerWaalsContact O-N 3.16Å; D107-Y432 HydrophobicContact CB-CE2 4.25Å | ||
| 108 | N | 55.3 | Low | 66.8 | Low | 141 Ų | 141 | 42.5 Ų | 42.5 | 75% | 0.754 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -13.9 | -174.2 | -67.7 | -34.3 | 0 | 0 | 0 | 114 | P111 | N108-P111 WeakPolarHBondContact O-CD 3.33Š|
| 109 | Y | 57.1 | Low | 66.8 | Low | 38 Ų | 38 | 42.5 Ų | 42.5 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -27.3 | -177.5 | -51.9 | -78.1 | 0 | 0 | 0 | 114.8 | A49 R53 D107 N112 | A49-Y109 HydrophobicContact CB-CE1 4.4Å; A49-Y109 HydrophobicContact CB-CE2 4.03Å; R53-Y109 HydrophobicContact CB-CD1 3.77Å; R53-Y109 HydrophobicContact CB-CE1 3.55Å; R53-Y109 HydrophobicContact CG-CD1 3.93Å; R53-Y109 HydrophobicContact CG-CE1 3.82Å; D107-Y109 HydrophobicContact CB-CD2 4.24Å; D107-Y109 VanDerWaalsContact CG-CD2 3.46Å; D107-Y109 PolarHBondContact O-N 3.14Å; D107-Y109 VanDerWaalsContact OD2-CD2 3.24Å; D107-Y109 WeakPolarHBondContact OD2-CD2 3.49Å; D107-Y109 VanDerWaalsContact OD2-CE2 3.27Å; D107-Y109 WeakPolarHBondContact OD2-CE2 3.44Å; Y109-N112 VanDerWaalsContact O-CB 3.29Å; Y109-N112 WeakPolarHBondContact O-CB 3.36Å; Y109-N112 PolarHBondContact O-N 2.99Å |
| 110 | Q | 60.4 | Low | 67.5 | Low | 29 Ų | 29 | 41.9 Ų | 41.9 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -30.4 | -176.3 | -164.3 | 161.8 | 5.2 | 0 | 0 | 115.3 | S99 R101 I106 D107 N112 Y113 E220 | S99-Q110 PolarHBondContact OG-NE2 3.44Å; R101-Q110 PolarHBondContact NH2-O 3.18Å; I106-Q110 VanDerWaalsContact CG1-OE1 3.24Å; I106-Q110 HydrophobicContact CG2-CB 3.3Å; I106-Q110 HydrophobicContact CG2-CG 3.97Å; D107-Q110 PolarHBondContact O-N 3.22Å; D107-Q110 VanDerWaalsContact O-N 3.16Å; Q110-N112 PolarHBondContact O-N 3.39Å; Q110-Y113 HydrophobicContact CB-CD2 4.27Å; Q110-Y113 HydrophobicContact CG-CD2 4.12Å; Q110-Y113 PolarHBondContact O-N 2.96Å; Q110-E220 PolarHBondContact NE2-OE1 3.27Å |
| 111 | P | 60.9 | Low | 68.5 | Low | 38 Ų | 38 | 41.6 Ų | 41.6 | 25% | 0.247 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.6 | -31.9 | 168 | -23.2 | 32.4 | 0 | 0 | 0 | 113.8 | R101 N108 T115 | R101-P111 VanDerWaalsContact NH1-CA 3.25Å; N108-P111 WeakPolarHBondContact O-CD 3.33Å; P111-T115 PolarHBondContact O-N 2.93Å; P111-T115 PolarHBondContact O-OG1 3.41Å |
| 112 | N | 72.7 | Confident | 69.5 | Low | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75.5 | -33.2 | -178.7 | -62 | -22.4 | 0 | 0 | 0 | 111.9 | Y109 Q110 T115 Q116 | Y109-N112 VanDerWaalsContact O-CB 3.29Å; Y109-N112 WeakPolarHBondContact O-CB 3.36Å; Y109-N112 PolarHBondContact O-N 2.99Å; Q110-N112 PolarHBondContact O-N 3.39Å; N112-T115 PolarHBondContact O-N 3.26Å; N112-Q116 VanDerWaalsContact O-CB 3.26Å; N112-Q116 WeakPolarHBondContact O-CB 3.44Å; N112-Q116 PolarHBondContact O-N 3.29Å |
| 113 | Y | 74.9 | Confident | 70.6 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -50.5 | 177.2 | -59.7 | -35.4 | 0 | 0 | 0 | 112.4 | E56 Q110 T115 Q116 S117 E220 C429 L431 | E56-Y113 WeakPolarHBondContact OE1-CE1 3.46Å; Q110-Y113 HydrophobicContact CB-CD2 4.27Å; Q110-Y113 HydrophobicContact CG-CD2 4.12Å; Q110-Y113 PolarHBondContact O-N 2.96Å; Y113-T115 VanDerWaalsContact C-N 3.27Å; Y113-T115 PolarHBondContact O-N 2.84Å; Y113-Q116 WeakPolarHBondContact O-CB 3.4Å; Y113-Q116 PolarHBondContact O-N 3.13Å; Y113-Q116 VanDerWaalsContact O-N 3.1Å; Y113-S117 WeakPolarHBondContact O-CB 3.44Å; Y113-S117 PolarHBondContact O-N 3.03Å; Y113-E220 CarbonylContact C-O 3.53Å; Y113-E220 VanDerWaalsContact C-O 3.25Å; Y113-C429 WeakPolarHBondContact CE1-O 3.33Å; Y113-L431 WeakPolarHBondContact OH-CB 3.36Å; Y113-L431 WeakPolarHBondContact OH-CD1 3.46Å; Y113-L431 WeakPolarHBondContact OH-CG 3.47Å |
| 114 | L | 81.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 177 | 179.9 | 54.2 | 0 | 0 | 0 | 111.2 | I96 T98 Q116 S117 L118 I143 L153 I156 E220 | I96-L114 HydrophobicContact CB-CD1 4.39Å; I96-L114 HydrophobicContact CD1-CD1 4.5Å; I96-L114 HydrophobicContact CG2-CD1 3.6Å; T98-L114 HydrophobicContact CG2-CD1 4.03Å; T98-L114 HydrophobicContact CG2-CD2 3.52Å; T98-L114 HydrophobicContact CG2-CG 4.42Å; L114-Q116 VanDerWaalsContact C-N 3.3Å; L114-Q116 PolarHBondContact O-N 3.42Å; L114-S117 PolarHBondContact O-N 2.71Å; L114-L118 WeakPolarHBondContact O-CB 3.06Å; L114-L118 PolarHBondContact O-N 2.93Å; L114-I143 HydrophobicContact CD1-CG2 4.28Å; L114-I143 HydrophobicContact CD2-CG2 4.09Å; L114-L153 HydrophobicContact CD2-CD1 4.3Å; L114-I156 HydrophobicContact CB-CD1 3.96Å; L114-I156 HydrophobicContact CD2-CD1 3.2Å; L114-I156 HydrophobicContact CG-CD1 3.37Å; L114-I156 HydrophobicContact CG-CG1 4.47Å; L114-E220 HydrophobicContact CB-CB 4Å; L114-E220 HydrophobicContact CD1-CB 3.86Å; L114-E220 HydrophobicContact CG-CB 4.42Å; L114-E220 PolarHBondContact N-O 3.49Å |
| 115 | T | 80 | Confident | 73.6 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.6 | -50 | 0 | 0 | 0 | 0 | 111.3 | L60 P111 N112 Y113 S119 N155 I159 | L60-T115 HydrophobicContact CD1-CG2 3.35Å; L60-T115 HydrophobicContact CG-CG2 4.12Å; P111-T115 PolarHBondContact O-N 2.93Å; P111-T115 PolarHBondContact O-OG1 3.41Å; N112-T115 PolarHBondContact O-N 3.26Å; Y113-T115 VanDerWaalsContact C-N 3.27Å; Y113-T115 PolarHBondContact O-N 2.84Å; T115-S119 WeakPolarHBondContact O-CB 3.36Å; T115-S119 PolarHBondContact O-N 3.35Å; T115-S119 PolarHBondContact O-OG 2.76Å; T115-N155 HydrophobicContact CG2-CB 4Å; T115-I159 HydrophobicContact CG2-CD1 3.54Å |
| 116 | Q | 77.5 | Confident | 75.2 | Confident | 19 Ų | 19 | 23.7 Ų | 23.7 | 9% | 0.089 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.6 | -43.6 | 179.6 | -172.4 | -175.8 | 29.6 | 0 | 0 | 112.7 | N112 Y113 L114 S119 T120 I223 | N112-Q116 VanDerWaalsContact O-CB 3.26Å; N112-Q116 WeakPolarHBondContact O-CB 3.44Å; N112-Q116 PolarHBondContact O-N 3.29Å; Y113-Q116 WeakPolarHBondContact O-CB 3.4Å; Y113-Q116 PolarHBondContact O-N 3.13Å; Y113-Q116 VanDerWaalsContact O-N 3.1Å; L114-Q116 VanDerWaalsContact C-N 3.3Å; L114-Q116 PolarHBondContact O-N 3.42Å; Q116-S119 WeakPolarHBondContact CA-OG 3.45Å; Q116-S119 PolarHBondContact O-OG 2.99Å; Q116-S119 VanDerWaalsContact O-OG 3.1Å; Q116-T120 VanDerWaalsContact O-CB 3.28Å; Q116-T120 WeakPolarHBondContact O-CB 3.39Å; Q116-T120 PolarHBondContact O-N 3.29Å; Q116-T120 PolarHBondContact O-OG1 3.17Å; Q116-I223 HydrophobicContact CG-CD1 3.79Å; Q116-I223 HydrophobicContact CG-CG1 4.33Å; Q116-I223 VanDerWaalsContact NE2-CD1 3.29Å |
| 117 | S | 84.2 | Confident | 76.7 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -51.4 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 110 | Y113 L114 T120 L121 E220 M222 | Y113-S117 WeakPolarHBondContact O-CB 3.44Å; Y113-S117 PolarHBondContact O-N 3.03Å; L114-S117 PolarHBondContact O-N 2.71Å; S117-T120 PolarHBondContact O-N 2.92Å; S117-L121 WeakPolarHBondContact O-CG 3Å; S117-L121 PolarHBondContact O-N 3.3Å; S117-E220 WeakPolarHBondContact CB-O 3.38Å; S117-M222 WeakPolarHBondContact CB-O 3.32Å; S117-M222 PolarHBondContact OG-O 2.81Å |
| 118 | L | 86.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.6 | -52.6 | 179.6 | -178.3 | 62.8 | 0 | 0 | 0 | 111.9 | I96 L114 T120 L121 I122 I141 I143 I156 I159 I168 | I96-L118 HydrophobicContact CD1-CD1 4.3Å; L114-L118 WeakPolarHBondContact O-CB 3.06Å; L114-L118 PolarHBondContact O-N 2.93Å; L118-T120 VanDerWaalsContact C-N 3.33Å; L118-T120 PolarHBondContact O-N 3.04Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.19Å; L118-I122 HydrophobicContact CD1-CD1 4.05Å; L118-I122 HydrophobicContact CG-CD1 3.73Å; L118-I122 WeakPolarHBondContact O-CD1 3.32Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.37Å; L118-I141 HydrophobicContact CD1-CD1 3.91Å; L118-I141 HydrophobicContact CD1-CG2 3.8Å; L118-I143 HydrophobicContact CD1-CD1 4.32Å; L118-I143 HydrophobicContact CD2-CD1 3.84Å; L118-I156 HydrophobicContact CD2-CG2 4.03Å; L118-I159 HydrophobicContact CD2-CB 4.46Å; L118-I159 HydrophobicContact CD2-CG2 3.77Å; L118-I159 HydrophobicContact CG-CG2 4.23Å; L118-I168 HydrophobicContact CD1-CD1 4.15Å; L118-I168 HydrophobicContact CD2-CD1 4.46Å |
| 119 | S | 81.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | L63 T115 Q116 I122 K123 | L63-S119 WeakPolarHBondContact CD1-OG 3.07Å; L63-S119 VanDerWaalsContact CD2-O 3.23Å; L63-S119 WeakPolarHBondContact CD2-O 3.45Å; T115-S119 WeakPolarHBondContact O-CB 3.36Å; T115-S119 PolarHBondContact O-N 3.35Å; T115-S119 PolarHBondContact O-OG 2.76Å; Q116-S119 WeakPolarHBondContact CA-OG 3.45Å; Q116-S119 PolarHBondContact O-OG 2.99Å; Q116-S119 VanDerWaalsContact O-OG 3.1Å; S119-I122 PolarHBondContact O-N 3.19Å; S119-K123 PolarHBondContact O-N 2.92Å |
| 120 | T | 84 | Confident | 80.8 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -46.3 | 173.4 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | R59 Q116 S117 L118 I122 K123 L124 I223 | R59-T120 PolarHBondContact NH2-OG1 3.17Å; R59-T120 VanDerWaalsContact NH2-OG1 3.15Å; Q116-T120 VanDerWaalsContact O-CB 3.28Å; Q116-T120 WeakPolarHBondContact O-CB 3.39Å; Q116-T120 PolarHBondContact O-N 3.29Å; Q116-T120 PolarHBondContact O-OG1 3.17Å; S117-T120 PolarHBondContact O-N 2.92Å; L118-T120 VanDerWaalsContact C-N 3.33Å; L118-T120 PolarHBondContact O-N 3.04Å; T120-I122 VanDerWaalsContact C-N 3.31Å; T120-I122 PolarHBondContact O-N 2.93Å; T120-K123 PolarHBondContact O-N 3.44Å; T120-L124 HydrophobicContact CG2-CD1 4.18Å; T120-L124 HydrophobicContact CG2-CG 4.38Å; T120-L124 VanDerWaalsContact O-CG 3.28Å; T120-L124 WeakPolarHBondContact O-CG 3.44Å; T120-L124 PolarHBondContact O-N 2.76Å; T120-I223 HydrophobicContact CG2-CG2 3.85Å |
| 121 | L | 88.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 176.2 | -76.5 | 169.4 | 0 | 0 | 0 | 112.1 | I94 I96 S117 L118 K123 L124 I125 I141 I218 A224 L228 | I94-L121 HydrophobicContact CD1-CD2 4.2Å; I94-L121 HydrophobicContact CG2-CD1 3.97Å; I96-L121 HydrophobicContact CD1-CD1 3.89Å; S117-L121 WeakPolarHBondContact O-CG 3Å; S117-L121 PolarHBondContact O-N 3.3Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.19Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 3.38Å; L121-L124 VanDerWaalsContact O-N 3.16Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.24Å; L121-I125 PolarHBondContact O-N 3.07Å; L121-I141 HydrophobicContact CB-CD1 4.4Å; L121-I218 HydrophobicContact CD1-CD1 3.75Å; L121-A224 HydrophobicContact CD2-CB 3.88Å; L121-L228 HydrophobicContact CD2-CD2 3.91Å |
| 122 | I | 85.8 | Confident | 83.2 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.2 | -50.1 | 178.4 | -73.8 | 157.3 | 0 | 0 | 0 | 110.4 | M67 W70 F78 L118 S119 T120 L124 I125 F126 I141 I159 I163 I168 | M67-I122 HydrophobicContact SD-CG2 4.36Å; W70-I122 HydrophobicContact CZ3-CG2 4.29Å; F78-I122 HydrophobicContact CE2-CB 4.36Å; F78-I122 HydrophobicContact CE2-CG2 3.59Å; F78-I122 HydrophobicContact CZ-CB 3.93Å; F78-I122 HydrophobicContact CZ-CG1 4.03Å; F78-I122 HydrophobicContact CZ-CG2 3.66Å; F78-I122 WeakPolarHBondContact CZ-O 3.32Å; L118-I122 HydrophobicContact CD1-CD1 4.05Å; L118-I122 HydrophobicContact CG-CD1 3.73Å; L118-I122 WeakPolarHBondContact O-CD1 3.32Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.37Å; S119-I122 PolarHBondContact O-N 3.19Å; T120-I122 VanDerWaalsContact C-N 3.31Å; T120-I122 PolarHBondContact O-N 2.93Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 3.27Å; I122-I125 PolarHBondContact O-N 2.87Å; I122-F126 PolarHBondContact O-N 2.93Å; I122-I141 HydrophobicContact CG1-CD1 4.27Å; I122-I159 HydrophobicContact CD1-CG2 3.48Å; I122-I159 VanDerWaalsContact CD1-CG2 3.48Å; I122-I163 HydrophobicContact CB-CD1 4.19Å; I122-I163 HydrophobicContact CD1-CD1 3.18Å; I122-I163 HydrophobicContact CG1-CD1 3.57Å; I122-I163 HydrophobicContact CG2-CD1 3.53Å; I122-I168 HydrophobicContact CD1-CD1 4.27Å |
| 123 | K | 84.8 | Confident | 83.7 | Confident | 72 Ų | 72 | 28.1 Ų | 28.1 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 176.7 | 174.5 | -177.4 | 176.4 | -174 | 0 | 111.9 | L63 W70 S119 T120 L121 I125 F126 D127 | L63-K123 HydrophobicContact CD2-CB 3.92Å; W70-K123 HydrophobicContact CH2-CB 4.14Å; W70-K123 HydrophobicContact CH2-CG 4.21Å; S119-K123 PolarHBondContact O-N 2.92Å; T120-K123 PolarHBondContact O-N 3.44Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.27Å; K123-I125 VanDerWaalsContact C-N 3.32Å; K123-I125 PolarHBondContact O-N 2.87Å; K123-F126 WeakPolarHBondContact O-CB 3.26Å; K123-F126 PolarHBondContact O-N 2.77Å; K123-F126 VanDerWaalsContact O-N 3.17Å; K123-D127 WeakPolarHBondContact CE-OD2 3.41Å; K123-D127 VanDerWaalsContact O-CG 3.32Å; K123-D127 PolarHBondContact O-N 2.76Å |
| 124 | L | 87.7 | Confident | 84 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -35.1 | -179.4 | -65.4 | 179.4 | 0 | 0 | 0 | 112.7 | T120 L121 I122 F126 D128 A224 I225 N226 L228 F229 | T120-L124 HydrophobicContact CG2-CD1 4.18Å; T120-L124 HydrophobicContact CG2-CG 4.38Å; T120-L124 VanDerWaalsContact O-CG 3.28Å; T120-L124 WeakPolarHBondContact O-CG 3.44Å; T120-L124 PolarHBondContact O-N 2.76Å; L121-L124 PolarHBondContact O-N 3.38Å; L121-L124 VanDerWaalsContact O-N 3.16Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 3.27Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-D128 WeakPolarHBondContact O-CB 3.48Å; L124-D128 PolarHBondContact O-N 2.98Å; L124-A224 HydrophobicContact CD1-CB 3.5Å; L124-I225 VanDerWaalsContact CD1-O 3.25Å; L124-I225 WeakPolarHBondContact CD1-O 3.31Å; L124-N226 HydrophobicContact CD2-CB 4.4Å; L124-L228 HydrophobicContact CD1-CB 4.36Å; L124-F229 HydrophobicContact CB-CD2 3.88Å; L124-F229 HydrophobicContact CB-CE2 3.75Å |
| 125 | I | 86.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 173.3 | -68 | 164.4 | 0 | 0 | 0 | 109.9 | F78 L121 I122 K123 D128 I129 I139 I141 F229 | F78-I125 HydrophobicContact CD1-CG2 4.25Å; F78-I125 HydrophobicContact CE1-CB 3.81Å; F78-I125 HydrophobicContact CE1-CD1 3.62Å; F78-I125 HydrophobicContact CE1-CG1 4.29Å; F78-I125 HydrophobicContact CE1-CG2 3.51Å; F78-I125 HydrophobicContact CZ-CB 3.8Å; F78-I125 HydrophobicContact CZ-CD1 4.24Å; F78-I125 HydrophobicContact CZ-CG2 3.78Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.24Å; L121-I125 PolarHBondContact O-N 3.07Å; I122-I125 PolarHBondContact O-N 2.87Å; K123-I125 VanDerWaalsContact C-N 3.32Å; K123-I125 PolarHBondContact O-N 2.87Å; I125-D128 WeakPolarHBondContact O-CB 3.46Å; I125-D128 PolarHBondContact O-N 3.32Å; I125-I129 HydrophobicContact CG2-CD1 3.72Å; I125-I129 HydrophobicContact CG2-CG1 4.41Å; I125-I129 VanDerWaalsContact O-CG1 3.29Å; I125-I129 WeakPolarHBondContact O-CG1 3.5Å; I125-I129 PolarHBondContact O-N 3.41Å; I125-I139 HydrophobicContact CD1-CG2 3.66Å; I125-I139 HydrophobicContact CG1-CD1 4.2Å; I125-I139 HydrophobicContact CG1-CG2 4.22Å; I125-I139 HydrophobicContact CG2-CD1 4.17Å; I125-I141 HydrophobicContact CD1-CD1 4.04Å; I125-I141 HydrophobicContact CD1-CG1 4.44Å; I125-F229 HydrophobicContact CB-CE2 4.33Å; I125-F229 HydrophobicContact CB-CZ 4.47Å; I125-F229 HydrophobicContact CD1-CE2 4.44Å; I125-F229 HydrophobicContact CD1-CZ 3.93Å; I125-F229 HydrophobicContact CG1-CD2 4.41Å; I125-F229 HydrophobicContact CG1-CE1 4.11Å; I125-F229 HydrophobicContact CG1-CE2 3.4Å; I125-F229 HydrophobicContact CG1-CZ 3.21Å |
| 126 | F | 81.9 | Confident | 84.4 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -46.5 | 176.7 | -173.6 | -95.6 | 0 | 0 | 0 | 112.3 | W70 K75 I122 K123 L124 D128 I129 T130 | W70-F126 AromaticContact CD1-CE1 4Å; W70-F126 AromaticContact CD1-CZ 3.77Å; W70-F126 HydrophobicContact CD2-CD1 4.18Å; W70-F126 HydrophobicContact CD2-CD2 4.19Å; W70-F126 HydrophobicContact CD2-CE1 4.17Å; W70-F126 HydrophobicContact CD2-CE2 4.2Å; W70-F126 HydrophobicContact CD2-CG 4.18Å; W70-F126 HydrophobicContact CD2-CZ 4.18Å; W70-F126 AromaticContact CE2-CD1 3.57Å; W70-F126 AromaticContact CE2-CE1 3.53Å; W70-F126 AromaticContact CE2-CZ 3.97Å; W70-F126 HydrophobicContact CE3-CD2 4.32Å; W70-F126 HydrophobicContact CE3-CG 4.25Å; W70-F126 HydrophobicContact CG-CE1 4.43Å; W70-F126 HydrophobicContact CG-CE2 4.16Å; W70-F126 HydrophobicContact CG-CZ 4.06Å; W70-F126 HydrophobicContact CH2-CB 3.99Å; W70-F126 AromaticContact CH2-CD1 3.96Å; W70-F126 HydrophobicContact CH2-CD1 3.96Å; W70-F126 HydrophobicContact CH2-CG 4.03Å; W70-F126 HydrophobicContact CZ2-CB 4.35Å; W70-F126 AromaticContact CZ2-CD1 3.44Å; W70-F126 HydrophobicContact CZ2-CD1 3.44Å; W70-F126 VanDerWaalsContact CZ2-CD1 3.44Å; W70-F126 AromaticContact CZ2-CE1 3.85Å; W70-F126 HydrophobicContact CZ2-CE1 3.85Å; W70-F126 AromaticContact CZ2-CG 3.93Å; W70-F126 HydrophobicContact CZ2-CG 3.93Å; W70-F126 HydrophobicContact CZ3-CB 4.11Å; W70-F126 HydrophobicContact CZ3-CG 4.18Å; W70-F126 AromaticContact NE1-CD1 3.96Å; W70-F126 AromaticContact NE1-CE1 3.41Å; W70-F126 AromaticContact NE1-CZ 3.69Å; K75-F126 HydrophobicContact CB-CE2 4.25Å; K75-F126 HydrophobicContact CB-CZ 4.4Å; K75-F126 WeakPolarHBondContact O-CE2 3.45Å; I122-F126 PolarHBondContact O-N 2.93Å; K123-F126 WeakPolarHBondContact O-CB 3.26Å; K123-F126 PolarHBondContact O-N 2.77Å; K123-F126 VanDerWaalsContact O-N 3.17Å; L124-F126 VanDerWaalsContact C-N 3.33Å; F126-D128 PolarHBondContact O-N 3.38Å; F126-I129 PolarHBondContact O-N 2.81Å; F126-T130 HydrophobicContact CD1-CG2 3.88Å; F126-T130 HydrophobicContact CD2-CG2 4.49Å; F126-T130 HydrophobicContact CE1-CG2 3.45Å; F126-T130 VanDerWaalsContact CE1-CG2 3.45Å; F126-T130 HydrophobicContact CE2-CG2 4.11Å; F126-T130 HydrophobicContact CG-CG2 4.39Å; F126-T130 HydrophobicContact CZ-CG2 3.58Å; F126-T130 WeakPolarHBondContact O-CB 3.38Å; F126-T130 WeakPolarHBondContact O-CG2 3.36Å; F126-T130 PolarHBondContact O-N 2.97Å; F126-T130 PolarHBondContact O-OG1 3.38Å |
| 127 | D | 85.2 | Confident | 84.6 | Confident | 65 Ų | 65 | 32.5 Ų | 32.5 | 35% | 0.348 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.8 | -36.1 | 174.9 | -69.9 | -16.9 | 0 | 0 | 0 | 110.7 | K123 T130 K131 | K123-D127 WeakPolarHBondContact CE-OD2 3.41Å; K123-D127 VanDerWaalsContact O-CG 3.32Å; K123-D127 PolarHBondContact O-N 2.76Å; D127-T130 WeakPolarHBondContact CA-OG1 3.4Å; D127-T130 PolarHBondContact O-OG1 3.43Å; D127-T130 VanDerWaalsContact O-OG1 3.06Å; D127-K131 WeakPolarHBondContact O-CB 2.99Å; D127-K131 PolarHBondContact O-N 2.97Å; D127-K131 VanDerWaalsContact O-N 3.14Å |
| 128 | D | 86.4 | Confident | 84.6 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -51.4 | 175.6 | -159.8 | 61.1 | 0 | 0 | 0 | 112.7 | L124 I125 F126 T130 K131 Y132 R135 F229 | L124-D128 WeakPolarHBondContact O-CB 3.48Å; L124-D128 PolarHBondContact O-N 2.98Å; I125-D128 WeakPolarHBondContact O-CB 3.46Å; I125-D128 PolarHBondContact O-N 3.32Å; F126-D128 PolarHBondContact O-N 3.38Å; D128-T130 PolarHBondContact O-N 3.33Å; D128-K131 PolarHBondContact O-N 2.95Å; D128-Y132 PolarHBondContact O-N 3.11Å; D128-Y132 WeakPolarHBondContact OD1-CD2 3.32Å; D128-R135 IonicContact OD1-CZ 3.12Å; D128-R135 IonicContact OD1-NE 3.23Å; D128-R135 PolarHBondContact OD1-NE 2.8Å; D128-R135 IonicContact OD1-NH2 2.66Å; D128-R135 PolarHBondContact OD1-NH2 2.82Å; D128-R135 IonicContact OD2-CZ 3.65Å; D128-R135 IonicContact OD2-NE 2.92Å; D128-R135 PolarHBondContact OD2-NE 2.92Å; D128-R135 IonicContact OD2-NH2 3.96Å; D128-F229 HydrophobicContact CB-CB 4.19Å; D128-F229 HydrophobicContact CB-CD2 4.44Å; D128-F229 HydrophobicContact CB-CG 4.37Å; D128-F229 WeakPolarHBondContact OD1-CB 3.35Å |
| 129 | I | 82.6 | Confident | 84.6 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | -179.1 | -67.7 | 164.8 | 0 | 0 | 0 | 110.3 | Y80 I125 F126 K131 G133 Y134 | Y80-I129 HydrophobicContact CE2-CD1 3.95Å; Y80-I129 HydrophobicContact CE2-CG1 4.34Å; I125-I129 HydrophobicContact CG2-CD1 3.72Å; I125-I129 HydrophobicContact CG2-CG1 4.41Å; I125-I129 VanDerWaalsContact O-CG1 3.29Å; I125-I129 WeakPolarHBondContact O-CG1 3.5Å; I125-I129 PolarHBondContact O-N 3.41Å; F126-I129 PolarHBondContact O-N 2.81Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 2.7Å; I129-G133 WeakPolarHBondContact O-CA 3.18Å; I129-G133 PolarHBondContact O-N 3.36Å; I129-Y134 HydrophobicContact CD1-CD1 4.34Å; I129-Y134 HydrophobicContact CD1-CE1 3.87Å; I129-Y134 HydrophobicContact CG1-CD1 4.22Å; I129-Y134 HydrophobicContact CG1-CE1 4.12Å; I129-Y134 HydrophobicContact CG2-CD1 4.29Å; I129-Y134 HydrophobicContact CG2-CE1 3.83Å; I129-Y134 HydrophobicContact CG2-CE2 4.18Å |
| 130 | T | 81.9 | Confident | 84.9 | Confident | 87 Ų | 87 | 33 Ų | 33 | 53% | 0.534 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66 | -36.1 | 179.6 | 51 | 0 | 0 | 0 | 0 | 112.3 | F126 D127 D128 | F126-T130 HydrophobicContact CD1-CG2 3.88Å; F126-T130 HydrophobicContact CD2-CG2 4.49Å; F126-T130 HydrophobicContact CE1-CG2 3.45Å; F126-T130 VanDerWaalsContact CE1-CG2 3.45Å; F126-T130 HydrophobicContact CE2-CG2 4.11Å; F126-T130 HydrophobicContact CG-CG2 4.39Å; F126-T130 HydrophobicContact CZ-CG2 3.58Å; F126-T130 WeakPolarHBondContact O-CB 3.38Å; F126-T130 WeakPolarHBondContact O-CG2 3.36Å; F126-T130 PolarHBondContact O-N 2.97Å; F126-T130 PolarHBondContact O-OG1 3.38Å; D127-T130 WeakPolarHBondContact CA-OG1 3.4Å; D127-T130 PolarHBondContact O-OG1 3.43Å; D127-T130 VanDerWaalsContact O-OG1 3.06Å; D128-T130 PolarHBondContact O-N 3.33Å |
| 131 | K | 87.6 | Confident | 85.2 | Confident | 140 Ų | 140 | 32.9 Ų | 32.9 | 61% | 0.609 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -82.3 | -41.3 | -177.5 | -171.1 | 177 | 177.4 | -164.7 | 0 | 113.6 | D127 D128 I129 | D127-K131 WeakPolarHBondContact O-CB 2.99Å; D127-K131 PolarHBondContact O-N 2.97Å; D127-K131 VanDerWaalsContact O-N 3.14Å; D128-K131 PolarHBondContact O-N 2.95Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 2.7Å |
| 132 | Y | 85.9 | Confident | 85.2 | Confident | 98 Ų | 98 | 33.1 Ų | 33.1 | 38% | 0.384 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -120.5 | -4.3 | -171.4 | -54.8 | -68.8 | 0 | 0 | 0 | 114.4 | D128 D230 | D128-Y132 PolarHBondContact O-N 3.11Å; D128-Y132 WeakPolarHBondContact OD1-CD2 3.32Å; Y132-D230 WeakPolarHBondContact CE2-OD1 3.27Å; Y132-D230 VanDerWaalsContact CZ-OD1 3.24Å; Y132-D230 VanDerWaalsContact OH-CG 3.31Å; Y132-D230 PolarHBondContact OH-OD1 2.96Å; Y132-D230 VanDerWaalsContact OH-OD1 3.07Å; Y132-D230 PolarHBondContact OH-OD2 3.31Å |
| 133 | G | 82.1 | Confident | 85.4 | Confident | 28 Ų | 28 | 33.1 Ų | 33.1 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | trans | 71.1 | -167.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I129 R135 | I129-G133 WeakPolarHBondContact O-CA 3.18Å; I129-G133 PolarHBondContact O-N 3.36Å; G133-R135 VanDerWaalsContact C-N 3.34Å; G133-R135 PolarHBondContact O-N 2.73Å | ||
| 134 | Y | 82.1 | Confident | 85.4 | Confident | 89 Ų | 89 | 29.7 Ų | 29.7 | 35% | 0.349 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -76.3 | 80.7 | -179.7 | -60.5 | -80 | 0 | 0 | 0 | 111.6 | P77 Y80 K89 I129 | P77-Y134 WeakPolarHBondContact CG-OH 3.18Å; P77-Y134 PolarHBondContact O-OH 3.11Å; Y80-Y134 AromaticContact CD1-CD1 3.62Å; Y80-Y134 HydrophobicContact CD1-CD1 3.62Å; Y80-Y134 HydrophobicContact CD1-CG 4.34Å; Y80-Y134 HydrophobicContact CD2-CD1 4.26Å; Y80-Y134 AromaticContact CE1-CD1 3.6Å; Y80-Y134 HydrophobicContact CE1-CD1 3.6Å; Y80-Y134 HydrophobicContact CE1-CG 4.25Å; Y80-Y134 HydrophobicContact CE2-CD1 4.24Å; Y80-Y134 AromaticContact CG-CD1 3.95Å; Y80-Y134 HydrophobicContact CG-CD1 3.95Å; Y80-Y134 HydrophobicContact CG-CE1 4.46Å; Y80-Y134 AromaticContact CZ-CD1 3.92Å; K89-Y134 PolarHBondContact NZ-O 3.08Å; I129-Y134 HydrophobicContact CD1-CD1 4.34Å; I129-Y134 HydrophobicContact CD1-CE1 3.87Å; I129-Y134 HydrophobicContact CG1-CD1 4.22Å; I129-Y134 HydrophobicContact CG1-CE1 4.12Å; I129-Y134 HydrophobicContact CG2-CD1 4.29Å; I129-Y134 HydrophobicContact CG2-CE1 3.83Å; I129-Y134 HydrophobicContact CG2-CE2 4.18Å |
| 135 | R | 84.5 | Confident | 84.9 | Confident | 18 Ų | 18 | 29.6 Ų | 29.6 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | trans | -80.9 | -26.5 | 177.7 | 68.4 | -177 | 176.3 | 172.5 | 0.7 | 113.5 | K89 D128 G133 F229 D230 W233 | K89-R135 WeakPolarHBondContact CD-O 3.38Å; D128-R135 IonicContact OD1-CZ 3.12Å; D128-R135 IonicContact OD1-NE 3.23Å; D128-R135 PolarHBondContact OD1-NE 2.8Å; D128-R135 IonicContact OD1-NH2 2.66Å; D128-R135 PolarHBondContact OD1-NH2 2.82Å; D128-R135 IonicContact OD2-CZ 3.65Å; D128-R135 IonicContact OD2-NE 2.92Å; D128-R135 PolarHBondContact OD2-NE 2.92Å; D128-R135 IonicContact OD2-NH2 3.96Å; G133-R135 VanDerWaalsContact C-N 3.34Å; G133-R135 PolarHBondContact O-N 2.73Å; R135-F229 PolarHBondContact NH2-O 2.83Å; R135-D230 IonicContact CZ-OD1 3.39Å; R135-D230 IonicContact NH1-OD1 3.03Å; R135-D230 PolarHBondContact NH1-OD1 2.02Å; R135-D230 VanDerWaalsContact NH2-CA 3.34Å; R135-D230 VanDerWaalsContact NH2-N 3.16Å; R135-D230 IonicContact NH2-OD1 3.09Å; R135-D230 PolarHBondContact NH2-OD1 3.27Å; R135-W233 HydrophobicContact CB-CD2 4.41Å; R135-W233 HydrophobicContact CB-CE3 4.27Å; R135-W233 HydrophobicContact CB-CH2 3.84Å; R135-W233 HydrophobicContact CB-CZ2 3.98Å; R135-W233 HydrophobicContact CB-CZ3 4Å; R135-W233 HydrophobicContact CG-CD2 4.1Å; R135-W233 HydrophobicContact CG-CE3 3.94Å; R135-W233 HydrophobicContact CG-CH2 4.42Å; R135-W233 HydrophobicContact CG-CZ3 4.12Å; R135-W233 WeakPolarHBondContact O-CH2 3.39Å; R135-W233 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 136 | F | 84.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -85.6 | 160 | 169.6 | -60.8 | -80.9 | 0 | 0 | 0 | 111.1 | Y80 H90 I92 I139 F229 W233 I236 | Y80-F136 VanDerWaalsContact CD1-O 3.25Å; Y80-F136 WeakPolarHBondContact CD1-O 3.41Å; Y80-F136 HydrophobicContact CE1-CB 3.79Å; Y80-F136 WeakPolarHBondContact CE1-O 3.33Å; H90-F136 WeakPolarHBondContact O-CA 3.35Å; I92-F136 HydrophobicContact CD1-CD1 3.67Å; I92-F136 HydrophobicContact CD1-CE1 3.3Å; I92-F136 HydrophobicContact CD1-CZ 3.87Å; I92-F136 HydrophobicContact CG1-CD1 3.94Å; I92-F136 HydrophobicContact CG1-CE1 4.05Å; F136-I139 HydrophobicContact CB-CD1 4.41Å; F136-I139 HydrophobicContact CB-CG1 3.95Å; F136-I139 HydrophobicContact CD2-CD1 3.68Å; F136-I139 HydrophobicContact CD2-CG1 4.1Å; F136-I139 HydrophobicContact CE2-CD1 4.26Å; F136-I139 HydrophobicContact CG-CD1 4.2Å; F136-I139 HydrophobicContact CG-CG1 4.1Å; F136-F229 AromaticContact CE2-CD1 3.99Å; F136-F229 HydrophobicContact CE2-CD1 3.99Å; F136-F229 HydrophobicContact CZ-CD1 4.34Å; F136-W233 HydrophobicContact CD1-CE3 4.01Å; F136-W233 HydrophobicContact CD1-CZ3 4.13Å; F136-W233 AromaticContact CE1-CE3 3.53Å; F136-W233 HydrophobicContact CE1-CE3 3.53Å; F136-W233 HydrophobicContact CE1-CZ3 4.11Å; F136-W233 HydrophobicContact CE2-CE3 4.28Å; F136-W233 HydrophobicContact CZ-CB 3.98Å; F136-W233 HydrophobicContact CZ-CD2 4.46Å; F136-W233 AromaticContact CZ-CE3 3.7Å; F136-W233 HydrophobicContact CZ-CE3 3.7Å; F136-I236 HydrophobicContact CE1-CD1 4.09Å |
| 137 | K | 82.2 | Confident | 83.4 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -70 | -43.3 | 169.6 | -172.8 | -174.8 | -167.7 | -175.1 | 0 | 110.2 | Y80 A82 K89 H90 Q207 Q209 | Y80-K137 WeakPolarHBondContact CD1-O 2.9Å; A82-K137 HydrophobicContact CB-CG 4.37Å; A82-K137 WeakPolarHBondContact CB-O 3.42Å; K89-K137 HydrophobicContact CB-CB 4.21Å; H90-K137 PolarHBondContact O-N 2.68Å; K137-Q207 VanDerWaalsContact CD-OE1 3.24Å; K137-Q207 VanDerWaalsContact CE-NE2 3.3Å; K137-Q209 PolarHBondContact NZ-O 3.43Å |
| 138 | Y | 83.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | trans | -155.5 | 157.8 | 172.2 | 61.2 | -98.2 | 0 | 0 | 0 | 110.1 | G91 I92 V93 Y140 I203 D213 | G91-Y138 WeakPolarHBondContact CA-O 3.25Å; I92-Y138 PolarHBondContact N-O 3.16Å; V93-Y138 HydrophobicContact CG2-CE2 3.78Å; Y138-Y140 HydrophobicContact CD1-CE2 4.17Å; Y138-Y140 AromaticContact CD2-CD2 3.29Å; Y138-Y140 HydrophobicContact CD2-CD2 3.29Å; Y138-Y140 AromaticContact CD2-CE2 3.3Å; Y138-Y140 HydrophobicContact CD2-CE2 3.3Å; Y138-Y140 HydrophobicContact CD2-CG 4.04Å; Y138-Y140 AromaticContact CE2-CD2 3.66Å; Y138-Y140 HydrophobicContact CE2-CD2 3.66Å; Y138-Y140 AromaticContact CE2-CE2 3.85Å; Y138-Y140 HydrophobicContact CE2-CE2 3.85Å; Y138-Y140 HydrophobicContact CG-CD2 4Å; Y138-Y140 AromaticContact CG-CE2 3.49Å; Y138-Y140 HydrophobicContact CG-CE2 3.49Å; Y138-Y140 VanDerWaalsContact CG-CE2 3.49Å; Y138-Y140 AromaticContact CG-CZ 3.92Å; Y138-I203 HydrophobicContact CE2-CG1 4.44Å; Y138-I203 WeakPolarHBondContact OH-CG1 3.47Å; Y138-I203 WeakPolarHBondContact OH-CG2 3.27Å; Y138-D213 WeakPolarHBondContact OH-CB 3.45Å; Y138-D213 VanDerWaalsContact OH-CG 3.26Å; Y138-D213 PolarHBondContact OH-OD2 2.75Å | ||
| 139 | I | 86.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 110.4 | 163.2 | -55.8 | 174.7 | 0 | 0 | 0 | 107.3 | Y80 I92 I94 I125 F136 F229 | Y80-I139 HydrophobicContact CD2-CB 4.29Å; Y80-I139 HydrophobicContact CD2-CG1 4.38Å; Y80-I139 HydrophobicContact CE2-CB 3.88Å; Y80-I139 HydrophobicContact CE2-CD1 3.73Å; Y80-I139 HydrophobicContact CE2-CG1 3.62Å; Y80-I139 VanDerWaalsContact OH-CD1 3.31Å; Y80-I139 WeakPolarHBondContact OH-CD1 3.35Å; I92-I139 VanDerWaalsContact O-CA 3.32Å; I92-I139 WeakPolarHBondContact O-CA 3.39Å; I94-I139 HydrophobicContact CD1-CG2 4.03Å; I94-I139 HydrophobicContact CG1-CG2 4.37Å; I125-I139 HydrophobicContact CD1-CG2 3.66Å; I125-I139 HydrophobicContact CG1-CD1 4.2Å; I125-I139 HydrophobicContact CG1-CG2 4.22Å; I125-I139 HydrophobicContact CG2-CD1 4.17Å; F136-I139 HydrophobicContact CB-CD1 4.41Å; F136-I139 HydrophobicContact CB-CG1 3.95Å; F136-I139 HydrophobicContact CD2-CD1 3.68Å; F136-I139 HydrophobicContact CD2-CG1 4.1Å; F136-I139 HydrophobicContact CE2-CD1 4.26Å; F136-I139 HydrophobicContact CG-CD1 4.2Å; F136-I139 HydrophobicContact CG-CG1 4.1Å; I139-F229 HydrophobicContact CD1-CD1 4.15Å; I139-F229 HydrophobicContact CD1-CE1 3.74Å; I139-F229 HydrophobicContact CD1-CZ 4.36Å; I139-F229 HydrophobicContact CG2-CE1 4.47Å |
| 140 | Y | 87.8 | Confident | 81.6 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 145.7 | 172 | -59.3 | -50.6 | 0 | 0 | 0 | 110.4 | I92 V93 I94 Y138 Y169 L202 Q206 | I92-Y140 PolarHBondContact O-N 2.87Å; V93-Y140 CarbonylContact C-O 3.57Å; V93-Y140 WeakPolarHBondContact CA-O 3.42Å; V93-Y140 HydrophobicContact CG2-CD2 4.27Å; I94-Y140 PolarHBondContact N-O 3.49Å; Y138-Y140 HydrophobicContact CD1-CE2 4.17Å; Y138-Y140 AromaticContact CD2-CD2 3.29Å; Y138-Y140 HydrophobicContact CD2-CD2 3.29Å; Y138-Y140 AromaticContact CD2-CE2 3.3Å; Y138-Y140 HydrophobicContact CD2-CE2 3.3Å; Y138-Y140 HydrophobicContact CD2-CG 4.04Å; Y138-Y140 AromaticContact CE2-CD2 3.66Å; Y138-Y140 HydrophobicContact CE2-CD2 3.66Å; Y138-Y140 AromaticContact CE2-CE2 3.85Å; Y138-Y140 HydrophobicContact CE2-CE2 3.85Å; Y138-Y140 HydrophobicContact CG-CD2 4Å; Y138-Y140 AromaticContact CG-CE2 3.49Å; Y138-Y140 HydrophobicContact CG-CE2 3.49Å; Y138-Y140 VanDerWaalsContact CG-CE2 3.49Å; Y138-Y140 AromaticContact CG-CZ 3.92Å; Y140-Y169 HydrophobicContact CD1-CE2 4.13Å; Y140-Y169 HydrophobicContact CG-CE2 4.28Å; Y140-L202 HydrophobicContact CD2-CD2 4.38Å; Y140-L202 HydrophobicContact CG-CD2 4.4Å; Y140-Q206 VanDerWaalsContact CZ-OE1 3.26Å; Y140-Q206 PolarHBondContact OH-OE1 2.81Å |
| 141 | I | 89.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.8 | 169.9 | -55.6 | 177.7 | 0 | 0 | 0 | 107.5 | I94 I96 L118 L121 I122 I125 I143 S167 I168 Y169 | I94-I141 HydrophobicContact CB-CG1 4.47Å; I94-I141 CarbonylContact O-C 3.55Å; I94-I141 WeakPolarHBondContact O-CA 3.23Å; I96-I141 HydrophobicContact CD1-CG2 3.92Å; I96-I141 HydrophobicContact CG1-CG2 4.22Å; L118-I141 HydrophobicContact CD1-CD1 3.91Å; L118-I141 HydrophobicContact CD1-CG2 3.8Å; L121-I141 HydrophobicContact CB-CD1 4.4Å; I122-I141 HydrophobicContact CG1-CD1 4.27Å; I125-I141 HydrophobicContact CD1-CD1 4.04Å; I125-I141 HydrophobicContact CD1-CG1 4.44Å; I141-I143 HydrophobicContact CG2-CG1 4.45Å; I141-S167 PolarHBondContact N-O 3.16Å; I141-I168 HydrophobicContact CB-CG1 4.27Å; I141-I168 CarbonylContact O-C 3.53Å; I141-I168 VanDerWaalsContact O-CA 3.23Å; I141-I168 WeakPolarHBondContact O-CA 3.41Å; I141-Y169 PolarHBondContact O-N 3.39Å |
| 142 | M | 89.6 | Confident | 80.6 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.5 | 173.6 | -165.9 | 175.1 | 80.5 | 0 | 0 | 108.7 | V93 I94 S95 I96 C144 Y169 C195 K198 S199 | V93-M142 HydrophobicContact CG1-CB 4.31Å; I94-M142 PolarHBondContact O-N 2.85Å; S95-M142 CarbonylContact C-O 3.56Å; S95-M142 WeakPolarHBondContact CA-O 3.35Å; I96-M142 PolarHBondContact N-O 3.26Å; M142-C144 WeakPolarHBondContact CE-SG 3.5Å; M142-Y169 CarbonylContact C-O 3.59Å; M142-Y169 WeakPolarHBondContact CA-O 3.34Å; M142-Y169 VanDerWaalsContact CG-O 3.27Å; M142-Y169 WeakPolarHBondContact CG-O 3.27Å; M142-C195 WeakPolarHBondContact CE-O 3.42Å; M142-K198 HydrophobicContact CE-CB 4.05Å; M142-K198 HydrophobicContact SD-CB 4.13Å; M142-S199 WeakPolarHBondContact CE-OG 3.26Å |
| 143 | I | 88.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 111.6 | 179.3 | -55.4 | 177.2 | 0 | 0 | 0 | 107.5 | T98 L114 L118 I141 L145 I156 I160 I168 Y169 P170 L171 | T98-I143 HydrophobicContact CG2-CG2 3.77Å; L114-I143 HydrophobicContact CD1-CG2 4.28Å; L114-I143 HydrophobicContact CD2-CG2 4.09Å; L118-I143 HydrophobicContact CD1-CD1 4.32Å; L118-I143 HydrophobicContact CD2-CD1 3.84Å; I141-I143 HydrophobicContact CG2-CG1 4.45Å; I143-L145 HydrophobicContact CG2-CD2 3.87Å; I143-L145 HydrophobicContact CG2-CG 4.03Å; I143-L145 PolarHBondContact O-N 3.15Å; I143-L145 VanDerWaalsContact O-N 3.17Å; I143-I156 HydrophobicContact CD1-CG2 3.79Å; I143-I160 HydrophobicContact CD1-CD1 4.44Å; I143-I168 HydrophobicContact CD1-CG2 3.57Å; I143-I168 HydrophobicContact CG1-CG2 3.91Å; I143-Y169 PolarHBondContact N-O 3.17Å; I143-P170 WeakPolarHBondContact O-CA 3.36Å; I143-L171 PolarHBondContact O-N 3.48Å |
| 144 | C | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 86.4 | -176.7 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | I96 M97 T98 M142 N146 C195 | I96-C144 WeakPolarHBondContact O-CB 3.36Å; I96-C144 PolarHBondContact O-N 3.05Å; M97-C144 HydrophobicContact SD-CB 4.01Å; T98-C144 PolarHBondContact N-O 2.8Å; T98-C144 PolarHBondContact OG1-O 3.42Å; M142-C144 WeakPolarHBondContact CE-SG 3.5Å; C144-N146 PolarHBondContact O-N 2.94Å; C144-C195 HydrophobicContact CB-CB 3.67Å; C144-C195 WeakPolarHBondContact CB-SG 3.5Å; C144-C195 VanDerWaalsContact SG-CA 3.58Å; C144-C195 WeakPolarHBondContact SG-CB 3.22Å; C144-C195 CovalentContact SG-SG 2.02Å; C144-C195 PolarHBondContact SG-SG 2.83Å |
| 145 | L | 77.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 102.9 | -179.1 | -63.8 | 173 | 0 | 0 | 0 | 110.9 | T98 I143 G147 T148 I150 L153 P170 L171 | T98-L145 HydrophobicContact CG2-CD2 4.09Å; I143-L145 HydrophobicContact CG2-CD2 3.87Å; I143-L145 HydrophobicContact CG2-CG 4.03Å; I143-L145 PolarHBondContact O-N 3.15Å; I143-L145 VanDerWaalsContact O-N 3.17Å; L145-G147 PolarHBondContact O-N 3.47Å; L145-T148 WeakPolarHBondContact CB-O 3.28Å; L145-I150 HydrophobicContact CD1-CB 3.6Å; L145-I150 HydrophobicContact CD1-CD1 3.95Å; L145-I150 HydrophobicContact CD1-CG1 4.11Å; L145-L153 HydrophobicContact CD2-CD1 3.81Å; L145-P170 HydrophobicContact CD1-CB 4.11Å; L145-L171 WeakPolarHBondContact CB-O 3.45Å; L145-L171 PolarHBondContact N-O 2.96Å |
| 146 | N | 71.2 | Confident | 79.7 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -82.7 | 100.6 | 177.8 | -61.2 | -37.6 | 0 | 0 | 0 | 109.2 | T98 N100 C144 T148 D191 | T98-N146 PolarHBondContact O-ND2 3.41Å; N100-N146 VanDerWaalsContact CA-O 3.28Å; N100-N146 WeakPolarHBondContact CA-O 3.32Å; N100-N146 HydrophobicContact CB-CB 4.25Å; N100-N146 PolarHBondContact OD1-O 3.1Å; C144-N146 PolarHBondContact O-N 2.94Å; N146-T148 PolarHBondContact O-N 2.89Å; N146-T148 PolarHBondContact O-OG1 2.96Å; N146-D191 WeakPolarHBondContact CB-OD2 3.15Å; N146-D191 WeakPolarHBondContact ND2-CB 3.03Å; N146-D191 PolarHBondContact ND2-OD2 3.37Å; N146-D191 WeakPolarHBondContact OD1-CB 3.26Å |
| 147 | G | 64.3 | Low | 79.5 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 11% | 0.113 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 71.3 | -2 | 177 | 0 | 0 | 0 | 0 | 0 | 116.2 | V102 L145 | V102-G147 WeakPolarHBondContact CG2-O 3.2Å; L145-G147 PolarHBondContact O-N 3.47Å |
| 148 | T | 68.8 | Low | 79.5 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | trans | -102.7 | 135.9 | -175 | -37.5 | 0 | 0 | 0 | 0 | 110.8 | R101 L145 N146 L153 | R101-T148 HydrophobicContact CB-CG2 3.69Å; R101-T148 WeakPolarHBondContact CB-OG1 3.49Å; R101-T148 HydrophobicContact CG-CG2 3.72Å; R101-T148 VanDerWaalsContact CG-OG1 3.25Å; R101-T148 WeakPolarHBondContact CG-OG1 3.15Å; R101-T148 PolarHBondContact N-OG1 3.18Å; L145-T148 WeakPolarHBondContact CB-O 3.28Å; N146-T148 PolarHBondContact O-N 2.89Å; N146-T148 PolarHBondContact O-OG1 2.96Å; T148-L153 HydrophobicContact CG2-CD1 4.43Å | ||
| 149 | N | 73.2 | Confident | 79.3 | Confident | 62 Ų | 62 | 29.4 Ų | 29.4 | 33% | 0.332 | 15% | 0.153 | S | C | . | . | trans | -81.6 | 133.7 | 176.1 | -165.9 | -21.1 | 0 | 0 | 0 | 109.9 | N151 E152 | N149-N151 PolarHBondContact O-N 3.43Å; N149-N151 PolarHBondContact OD1-N 2.95Å; N149-E152 HydrophobicContact CB-CG 4.03Å; N149-E152 PolarHBondContact N-OE2 2.66Å; N149-E152 WeakPolarHBondContact O-CB 3.48Å; N149-E152 PolarHBondContact O-N 2.91Å | ||
| 150 | I | 75.6 | Confident | 79.1 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -63.7 | -28.5 | 178.9 | -164.4 | 142.1 | 0 | 0 | 0 | 112.5 | L145 E152 L153 I156 Y157 I160 P170 | L145-I150 HydrophobicContact CD1-CB 3.6Å; L145-I150 HydrophobicContact CD1-CD1 3.95Å; L145-I150 HydrophobicContact CD1-CG1 4.11Å; I150-E152 PolarHBondContact O-N 3.42Å; I150-L153 CarbonylContact O-C 3.5Å; I150-L153 WeakPolarHBondContact O-CA 3.42Å; I150-L153 WeakPolarHBondContact O-CB 3.39Å; I150-L153 PolarHBondContact O-N 3.09Å; I150-I156 HydrophobicContact CD1-CG2 4.01Å; I150-I156 HydrophobicContact CG1-CG2 4.43Å; I150-Y157 HydrophobicContact CG2-CD2 4.33Å; I150-I160 HydrophobicContact CD1-CD1 3.25Å; I150-I160 HydrophobicContact CG1-CD1 4.31Å; I150-P170 HydrophobicContact CB-CB 4.46Å; I150-P170 HydrophobicContact CD1-CB 3.4Å; I150-P170 HydrophobicContact CD1-CG 3.92Å |
| 151 | N | 75.3 | Confident | 78.8 | Confident | 103 Ų | 103 | 34.6 Ų | 34.6 | 55% | 0.551 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -66.7 | -21.2 | 177.5 | -63.5 | -13.5 | 0 | 0 | 0 | 112.2 | N149 | N149-N151 PolarHBondContact O-N 3.43Å; N149-N151 PolarHBondContact OD1-N 2.95Å |
| 152 | E | 72.7 | Confident | 78.1 | Confident | 132 Ų | 132 | 35.5 Ų | 35.5 | 62% | 0.617 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -76.9 | -14.5 | 172.5 | -64.1 | 166.1 | 177 | 0 | 0 | 111.6 | N149 I150 | N149-E152 HydrophobicContact CB-CG 4.03Å; N149-E152 PolarHBondContact N-OE2 2.66Å; N149-E152 WeakPolarHBondContact O-CB 3.48Å; N149-E152 PolarHBondContact O-N 2.91Å; I150-E152 PolarHBondContact O-N 3.42Å |
| 153 | L | 78.3 | Confident | 77.4 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | trans | -105.6 | 66.8 | -180 | -52.7 | -176.2 | 0 | 0 | 0 | 110.2 | L114 L145 T148 I150 N155 I156 Y157 | L114-L153 HydrophobicContact CD2-CD1 4.3Å; L145-L153 HydrophobicContact CD2-CD1 3.81Å; T148-L153 HydrophobicContact CG2-CD1 4.43Å; I150-L153 CarbonylContact O-C 3.5Å; I150-L153 WeakPolarHBondContact O-CA 3.42Å; I150-L153 WeakPolarHBondContact O-CB 3.39Å; I150-L153 PolarHBondContact O-N 3.09Å; L153-N155 PolarHBondContact O-N 2.91Å; L153-N155 VanDerWaalsContact O-N 3.09Å; L153-I156 HydrophobicContact CB-CB 4.15Å; L153-I156 HydrophobicContact CB-CD1 3.99Å; L153-I156 HydrophobicContact CB-CG1 4.36Å; L153-I156 HydrophobicContact CD1-CD1 3.8Å; L153-I156 HydrophobicContact CG-CD1 4.48Å; L153-I156 PolarHBondContact O-N 3.26Å; L153-Y157 PolarHBondContact O-N 3.18Å | ||
| 154 | S | 76.6 | Confident | 76.4 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 55% | 0.552 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -47 | -43.7 | -173.9 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | I156 Y157 E158 | S154-I156 PolarHBondContact O-N 2.94Å; S154-Y157 PolarHBondContact O-N 2.92Å; S154-E158 WeakPolarHBondContact O-CB 3.24Å; S154-E158 PolarHBondContact O-N 3.48Å |
| 155 | N | 78.8 | Confident | 75.3 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 179.9 | -61.9 | -19.7 | 0 | 0 | 0 | 113 | R64 T115 L153 I159 | R64-N155 PolarHBondContact NH2-OD1 2.86Å; T115-N155 HydrophobicContact CG2-CB 4Å; L153-N155 PolarHBondContact O-N 2.91Å; L153-N155 VanDerWaalsContact O-N 3.09Å; N155-I159 WeakPolarHBondContact O-CG1 3.21Å; N155-I159 PolarHBondContact O-N 3Å |
| 156 | I | 81.6 | Confident | 74.8 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.4 | -42.3 | -179.9 | -64.1 | 172.4 | 0 | 0 | 0 | 109.7 | L114 L118 I143 I150 L153 S154 E158 I159 I160 | L114-I156 HydrophobicContact CB-CD1 3.96Å; L114-I156 HydrophobicContact CD2-CD1 3.2Å; L114-I156 HydrophobicContact CG-CD1 3.37Å; L114-I156 HydrophobicContact CG-CG1 4.47Å; L118-I156 HydrophobicContact CD2-CG2 4.03Å; I143-I156 HydrophobicContact CD1-CG2 3.79Å; I150-I156 HydrophobicContact CD1-CG2 4.01Å; I150-I156 HydrophobicContact CG1-CG2 4.43Å; L153-I156 HydrophobicContact CB-CB 4.15Å; L153-I156 HydrophobicContact CB-CD1 3.99Å; L153-I156 HydrophobicContact CB-CG1 4.36Å; L153-I156 HydrophobicContact CD1-CD1 3.8Å; L153-I156 HydrophobicContact CG-CD1 4.48Å; L153-I156 PolarHBondContact O-N 3.26Å; S154-I156 PolarHBondContact O-N 2.94Å; I156-E158 VanDerWaalsContact C-N 3.28Å; I156-E158 PolarHBondContact O-N 3.49Å; I156-I159 WeakPolarHBondContact O-CB 3.19Å; I156-I159 PolarHBondContact O-N 2.67Å; I156-I159 VanDerWaalsContact O-N 3.14Å; I156-I160 HydrophobicContact CG2-CD1 3.98Å; I156-I160 HydrophobicContact CG2-CG1 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 PolarHBondContact O-N 2.7Å |
| 157 | Y | 81.8 | Confident | 74.7 | Confident | 88 Ų | 88 | 51.8 Ų | 51.8 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | 176.5 | -175.2 | -102.4 | 0 | 0 | 0 | 111.3 | I150 L153 S154 I160 Q161 | I150-Y157 HydrophobicContact CG2-CD2 4.33Å; L153-Y157 PolarHBondContact O-N 3.18Å; S154-Y157 PolarHBondContact O-N 2.92Å; Y157-I160 PolarHBondContact O-N 3.34Å; Y157-Q161 HydrophobicContact CD1-CG 4.37Å; Y157-Q161 HydrophobicContact CE1-CG 4.04Å; Y157-Q161 VanDerWaalsContact CZ-NE2 3.32Å; Y157-Q161 WeakPolarHBondContact O-CG 3.1Å; Y157-Q161 PolarHBondContact O-N 3Å; Y157-Q161 PolarHBondContact OH-NE2 3.34Å; Y157-Q161 VanDerWaalsContact OH-NE2 3.13Å |
| 158 | E | 81.3 | Confident | 75.3 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 173 | -173.7 | -170.4 | 179.7 | 0 | 0 | 112.1 | R64 Y68 S154 I156 I160 Q161 L162 | R64-E158 IonicContact CZ-OE2 2.81Å; R64-E158 IonicContact NE-OE1 2.82Å; R64-E158 IonicContact NE-OE2 2.57Å; R64-E158 PolarHBondContact NE-OE2 3.4Å; R64-E158 IonicContact NH2-OE2 3.79Å; R64-E158 PolarHBondContact NH2-OE2 2.83Å; Y68-E158 PolarHBondContact OH-OE1 3.41Å; S154-E158 WeakPolarHBondContact O-CB 3.24Å; S154-E158 PolarHBondContact O-N 3.48Å; I156-E158 VanDerWaalsContact C-N 3.28Å; I156-E158 PolarHBondContact O-N 3.49Å; E158-I160 VanDerWaalsContact C-N 3.3Å; E158-I160 PolarHBondContact O-N 3.22Å; E158-Q161 PolarHBondContact O-N 2.8Å; E158-L162 HydrophobicContact CG-CD1 4.17Å; E158-L162 WeakPolarHBondContact O-CG 3.39Å; E158-L162 PolarHBondContact O-N 3.06Å |
| 159 | I | 80.6 | Confident | 75.8 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 177.4 | -73.2 | 172.6 | 0 | 0 | 0 | 111.5 | M67 T115 L118 I122 N155 I156 L162 I163 I168 | M67-I159 HydrophobicContact CE-CB 4.25Å; M67-I159 HydrophobicContact CE-CG1 4.21Å; M67-I159 HydrophobicContact CE-CG2 3.96Å; M67-I159 HydrophobicContact SD-CG1 4.16Å; M67-I159 HydrophobicContact SD-CG2 4.28Å; T115-I159 HydrophobicContact CG2-CD1 3.54Å; L118-I159 HydrophobicContact CD2-CB 4.46Å; L118-I159 HydrophobicContact CD2-CG2 3.77Å; L118-I159 HydrophobicContact CG-CG2 4.23Å; I122-I159 HydrophobicContact CD1-CG2 3.48Å; I122-I159 VanDerWaalsContact CD1-CG2 3.48Å; N155-I159 WeakPolarHBondContact O-CG1 3.21Å; N155-I159 PolarHBondContact O-N 3Å; I156-I159 WeakPolarHBondContact O-CB 3.19Å; I156-I159 PolarHBondContact O-N 2.67Å; I156-I159 VanDerWaalsContact O-N 3.14Å; I159-L162 PolarHBondContact O-N 3.4Å; I159-I163 HydrophobicContact CG2-CD1 3.91Å; I159-I163 WeakPolarHBondContact O-CB 3.44Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 3.11Å; I159-I163 VanDerWaalsContact O-N 3.16Å; I159-I168 HydrophobicContact CG2-CD1 4.18Å |
| 160 | I | 81.2 | Confident | 76 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 178.2 | -67.8 | 174.6 | 0 | 0 | 0 | 111 | I143 I150 I156 Y157 E158 L162 I163 D164 I168 | I143-I160 HydrophobicContact CD1-CD1 4.44Å; I150-I160 HydrophobicContact CD1-CD1 3.25Å; I150-I160 HydrophobicContact CG1-CD1 4.31Å; I156-I160 HydrophobicContact CG2-CD1 3.98Å; I156-I160 HydrophobicContact CG2-CG1 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 PolarHBondContact O-N 2.7Å; Y157-I160 PolarHBondContact O-N 3.34Å; E158-I160 VanDerWaalsContact C-N 3.3Å; E158-I160 PolarHBondContact O-N 3.22Å; I160-L162 VanDerWaalsContact C-N 3.29Å; I160-L162 PolarHBondContact O-N 2.82Å; I160-I163 PolarHBondContact O-N 3.1Å; I160-D164 PolarHBondContact O-N 2.92Å; I160-I168 HydrophobicContact CD1-CB 4.46Å; I160-I168 HydrophobicContact CD1-CG2 3.81Å; I160-I168 HydrophobicContact CG1-CB 3.94Å; I160-I168 HydrophobicContact CG1-CD1 4.08Å; I160-I168 HydrophobicContact CG1-CG2 3.68Å |
| 161 | Q | 80.9 | Confident | 75.8 | Confident | 110 Ų | 110 | 53.3 Ų | 53.3 | 51% | 0.514 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 177.3 | -73 | -172.5 | -33.9 | 0 | 0 | 112.1 | Y157 E158 | Y157-Q161 HydrophobicContact CD1-CG 4.37Å; Y157-Q161 HydrophobicContact CE1-CG 4.04Å; Y157-Q161 VanDerWaalsContact CZ-NE2 3.32Å; Y157-Q161 WeakPolarHBondContact O-CG 3.1Å; Y157-Q161 PolarHBondContact O-N 3Å; Y157-Q161 PolarHBondContact OH-NE2 3.34Å; Y157-Q161 VanDerWaalsContact OH-NE2 3.13Å; E158-Q161 PolarHBondContact O-N 2.8Å |
| 162 | L | 76.4 | Confident | 75.4 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.9 | -31 | 179.9 | -69.4 | 169.7 | 0 | 0 | 0 | 113.8 | M67 Y68 E158 I159 I160 | M67-L162 HydrophobicContact CE-CB 3.74Å; M67-L162 HydrophobicContact CE-CD1 3.95Å; Y68-L162 HydrophobicContact CD1-CD2 3.99Å; Y68-L162 HydrophobicContact CD2-CD1 4.41Å; Y68-L162 HydrophobicContact CE1-CD1 4.22Å; Y68-L162 HydrophobicContact CE1-CD2 3.52Å; Y68-L162 HydrophobicContact CE1-CG 4.5Å; Y68-L162 HydrophobicContact CE2-CD1 3.9Å; E158-L162 HydrophobicContact CG-CD1 4.17Å; E158-L162 WeakPolarHBondContact O-CG 3.39Å; E158-L162 PolarHBondContact O-N 3.06Å; I159-L162 PolarHBondContact O-N 3.4Å; I160-L162 VanDerWaalsContact C-N 3.29Å; I160-L162 PolarHBondContact O-N 2.82Å |
| 163 | I | 74.1 | Confident | 74.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -94.8 | -3.8 | -171.4 | -72.9 | 176.8 | 0 | 0 | 0 | 113.7 | M67 F78 I122 I159 I160 S167 I168 | M67-I163 HydrophobicContact CE-CD1 3.4Å; M67-I163 HydrophobicContact CE-CG1 3.48Å; M67-I163 VanDerWaalsContact CE-CG1 3.48Å; M67-I163 HydrophobicContact SD-CD1 4.13Å; F78-I163 HydrophobicContact CB-CG2 3.68Å; F78-I163 HydrophobicContact CD1-CG2 4.16Å; F78-I163 HydrophobicContact CD2-CD1 4.47Å; F78-I163 HydrophobicContact CD2-CG1 4.37Å; F78-I163 HydrophobicContact CD2-CG2 3.57Å; F78-I163 HydrophobicContact CE2-CD1 4.33Å; F78-I163 HydrophobicContact CE2-CG2 4.31Å; F78-I163 HydrophobicContact CG-CG2 3.5Å; F78-I163 VanDerWaalsContact CG-CG2 3.5Å; I122-I163 HydrophobicContact CB-CD1 4.19Å; I122-I163 HydrophobicContact CD1-CD1 3.18Å; I122-I163 HydrophobicContact CG1-CD1 3.57Å; I122-I163 HydrophobicContact CG2-CD1 3.53Å; I159-I163 HydrophobicContact CG2-CD1 3.91Å; I159-I163 WeakPolarHBondContact O-CB 3.44Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 3.11Å; I159-I163 VanDerWaalsContact O-N 3.16Å; I160-I163 PolarHBondContact O-N 3.1Å; I163-S167 PolarHBondContact O-OG 3.47Å; I163-I168 HydrophobicContact CB-CD1 4.28Å; I163-I168 HydrophobicContact CD1-CD1 4.17Å; I163-I168 HydrophobicContact CG2-CD1 4.08Å; I163-I168 HydrophobicContact CG2-CG1 4.42Å |
| 164 | D | 67.1 | Low | 73.1 | Confident | 81 Ų | 81 | 54 Ų | 54 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | trans | 76.9 | 138.2 | -172.1 | -153.7 | 0.9 | 0 | 0 | 0 | 113.2 | I160 Y166 S167 | I160-D164 PolarHBondContact O-N 2.92Å; D164-Y166 PolarHBondContact O-N 3.49Å; D164-S167 PolarHBondContact O-N 2.83Å; D164-S167 PolarHBondContact O-OG 3.45Å | ||
| 165 | Q | 63.8 | Low | 71.9 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.5 | -165.3 | -76.6 | -178.2 | -17.4 | 0 | 0 | 114.3 | S167 | Q165-S167 VanDerWaalsContact C-N 3.35Š|
| 166 | Y | 66.9 | Low | 70.5 | Confident | 147 Ų | 147 | 58.6 Ų | 58.6 | 58% | 0.576 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.4 | -177 | -58.5 | -75 | 0 | 0 | 0 | 114.3 | D164 Y169 | D164-Y166 PolarHBondContact O-N 3.49Å; Y166-Y169 WeakPolarHBondContact CA-OH 3.25Å; Y166-Y169 WeakPolarHBondContact O-CE2 3.38Å; Y166-Y169 PolarHBondContact O-OH 2.88Å |
| 167 | S | 69.5 | Low | 68.8 | Low | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -34.4 | -177.1 | -43 | 0 | 0 | 0 | 0 | 111.5 | F78 I141 I163 D164 Q165 | F78-S167 VanDerWaalsContact CB-OG 3.28Å; F78-S167 WeakPolarHBondContact CB-OG 3.45Å; I141-S167 PolarHBondContact N-O 3.16Å; I163-S167 PolarHBondContact O-OG 3.47Å; D164-S167 PolarHBondContact O-N 2.83Å; D164-S167 PolarHBondContact O-OG 3.45Å; Q165-S167 VanDerWaalsContact C-N 3.35Å |
| 168 | I | 77.2 | Confident | 67.4 | Low | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 115.1 | -174.7 | -55.7 | 170.6 | 0 | 0 | 0 | 108.9 | L118 I122 I141 I143 I159 I160 I163 P170 | L118-I168 HydrophobicContact CD1-CD1 4.15Å; L118-I168 HydrophobicContact CD2-CD1 4.46Å; I122-I168 HydrophobicContact CD1-CD1 4.27Å; I141-I168 HydrophobicContact CB-CG1 4.27Å; I141-I168 CarbonylContact O-C 3.53Å; I141-I168 VanDerWaalsContact O-CA 3.23Å; I141-I168 WeakPolarHBondContact O-CA 3.41Å; I143-I168 HydrophobicContact CD1-CG2 3.57Å; I143-I168 HydrophobicContact CG1-CG2 3.91Å; I159-I168 HydrophobicContact CG2-CD1 4.18Å; I160-I168 HydrophobicContact CD1-CB 4.46Å; I160-I168 HydrophobicContact CD1-CG2 3.81Å; I160-I168 HydrophobicContact CG1-CB 3.94Å; I160-I168 HydrophobicContact CG1-CD1 4.08Å; I160-I168 HydrophobicContact CG1-CG2 3.68Å; I163-I168 HydrophobicContact CB-CD1 4.28Å; I163-I168 HydrophobicContact CD1-CD1 4.17Å; I163-I168 HydrophobicContact CG2-CD1 4.08Å; I163-I168 HydrophobicContact CG2-CG1 4.42Å; I168-P170 WeakPolarHBondContact O-CD 3.32Å |
| 169 | Y | 80 | Confident | 66.2 | Low | 49 Ų | 49 | 60.8 Ų | 60.8 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106.4 | -176.6 | -66.9 | -85.8 | 0 | 0 | 0 | 111 | Y140 I141 M142 I143 Y166 L171 L202 Q206 | Y140-Y169 HydrophobicContact CD1-CE2 4.13Å; Y140-Y169 HydrophobicContact CG-CE2 4.28Å; I141-Y169 PolarHBondContact O-N 3.39Å; M142-Y169 CarbonylContact C-O 3.59Å; M142-Y169 WeakPolarHBondContact CA-O 3.34Å; M142-Y169 VanDerWaalsContact CG-O 3.27Å; M142-Y169 WeakPolarHBondContact CG-O 3.27Å; I143-Y169 PolarHBondContact N-O 3.17Å; Y166-Y169 WeakPolarHBondContact CA-OH 3.25Å; Y166-Y169 WeakPolarHBondContact O-CE2 3.38Å; Y166-Y169 PolarHBondContact O-OH 2.88Å; Y169-L171 PolarHBondContact O-N 3.47Å; Y169-L202 HydrophobicContact CD1-CD1 3.71Å; Y169-L202 HydrophobicContact CD2-CD1 3.58Å; Y169-L202 HydrophobicContact CD2-CD2 3.47Å; Y169-L202 VanDerWaalsContact CD2-CD2 3.47Å; Y169-L202 HydrophobicContact CD2-CG 4.16Å; Y169-L202 HydrophobicContact CE1-CD1 3.67Å; Y169-L202 HydrophobicContact CE2-CD1 3.53Å; Y169-L202 HydrophobicContact CE2-CD2 3.93Å; Y169-L202 HydrophobicContact CE2-CG 4.27Å; Y169-L202 HydrophobicContact CG-CD1 3.66Å; Y169-L202 HydrophobicContact CG-CD2 3.97Å; Y169-L202 HydrophobicContact CG-CG 4.48Å; Y169-Q206 PolarHBondContact OH-NE2 3.22Å |
| 170 | P | 76.9 | Confident | 65.1 | Low | 49 Ų | 49 | 66.8 Ų | 66.8 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.1 | 171.3 | 30.8 | -33.1 | 0 | 0 | 0 | 110.6 | I143 L145 I150 I168 H172 | I143-P170 WeakPolarHBondContact O-CA 3.36Å; L145-P170 HydrophobicContact CD1-CB 4.11Å; I150-P170 HydrophobicContact CB-CB 4.46Å; I150-P170 HydrophobicContact CD1-CB 3.4Å; I150-P170 HydrophobicContact CD1-CG 3.92Å; I168-P170 WeakPolarHBondContact O-CD 3.32Å; P170-H172 PolarHBondContact O-N 3.06Å |
| 171 | L | 71.8 | Confident | 64.3 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 107.6 | 174.1 | -172.4 | 75.3 | 0 | 0 | 0 | 109.7 | I143 L145 Y169 N173 K198 | I143-L171 PolarHBondContact O-N 3.48Å; L145-L171 WeakPolarHBondContact CB-O 3.45Å; L145-L171 PolarHBondContact N-O 2.96Å; Y169-L171 PolarHBondContact O-N 3.47Å; L171-N173 PolarHBondContact O-N 3.3Å; L171-K198 HydrophobicContact CD1-CB 3.57Å; L171-K198 HydrophobicContact CD1-CD 3.56Å; L171-K198 HydrophobicContact CD1-CG 3.36Å; L171-K198 HydrophobicContact CD2-CB 4.26Å; L171-K198 HydrophobicContact CD2-CG 4.09Å; L171-K198 HydrophobicContact CG-CG 4.37Å |
| 172 | H | 65.3 | Low | 63.7 | Low | 89 Ų | 89 | 69.5 Ų | 69.5 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 106 | 166.3 | -82.4 | -32.3 | 0 | 0 | 0 | 110.7 | P170 N174 | P170-H172 PolarHBondContact O-N 3.06Å; H172-N174 PolarHBondContact O-N 3.35Å |
| 173 | N | 55.8 | Low | 63.5 | Low | 31 Ų | 31 | 70.4 Ų | 70.4 | 17% | 0.166 | 36% | 0.362 | C | S | . | . | trans | -80.7 | 90 | 162.7 | -108 | -0.5 | 0 | 0 | 0 | 108.9 | L171 Q175 Y179 | L171-N173 PolarHBondContact O-N 3.3Å; N173-Q175 PolarHBondContact O-N 3.08Å; N173-Q175 VanDerWaalsContact O-N 3.1Å; N173-Y179 PolarHBondContact ND2-OH 2.82Å | ||
| 174 | N | 47.2 | Very low | 63.3 | Low | 143 Ų | 143 | 74.6 Ų | 74.6 | 77% | 0.765 | 38% | 0.384 | S | S | * | . | trans | -67.8 | -3.2 | 178.5 | -75.4 | -9.7 | 0 | 0 | 0 | 114 | H172 L176 | H172-N174 PolarHBondContact O-N 3.35Å; N174-L176 PolarHBondContact O-N 2.83Å | ||
| 175 | Q | 51.9 | Low | 63.5 | Low | 127 Ų | 127 | 72.2 Ų | 72.2 | 59% | 0.593 | 37% | 0.373 | S | S | * | . | trans | -97.1 | 62.4 | -179.1 | -67.1 | -177.5 | -20.9 | 0 | 0 | 111 | N173 T177 T178 Y179 | N173-Q175 PolarHBondContact O-N 3.08Å; N173-Q175 VanDerWaalsContact O-N 3.1Å; Q175-T177 PolarHBondContact O-N 2.9Å; Q175-T178 PolarHBondContact O-N 3.37Å; Q175-T178 PolarHBondContact O-OG1 3.49Å; Q175-Y179 WeakPolarHBondContact O-CD2 2.98Å; Q175-Y179 WeakPolarHBondContact O-CE2 3.29Å | ||
| 176 | L | 50 | Low | 64 | Low | 87 Ų | 87 | 66.6 Ų | 66.6 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -56.3 | -26.3 | 167.8 | -84.3 | 155.3 | 0 | 0 | 0 | 111.9 | N174 T178 Y179 | N174-L176 PolarHBondContact O-N 2.83Å; L176-T178 VanDerWaalsContact C-N 3.33Å; L176-T178 PolarHBondContact O-N 2.9Å; L176-Y179 PolarHBondContact O-N 2.88Å |
| 177 | T | 46.1 | Very low | 64.4 | Low | 114 Ų | 114 | 59.9 Ų | 59.9 | 70% | 0.699 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -67.6 | -25.9 | -177.1 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | Q175 | Q175-T177 PolarHBondContact O-N 2.9Š|
| 178 | T | 52.4 | Low | 64.7 | Low | 63 Ų | 63 | 61.1 Ų | 61.1 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -79.6 | -15.1 | 179.6 | 45.7 | 0 | 0 | 0 | 0 | 113.8 | Q175 L176 | Q175-T178 PolarHBondContact O-N 3.37Å; Q175-T178 PolarHBondContact O-OG1 3.49Å; L176-T178 VanDerWaalsContact C-N 3.33Å; L176-T178 PolarHBondContact O-N 2.9Å |
| 179 | Y | 55.5 | Low | 64.8 | Low | 6 Ų | 6 | 61 Ų | 61 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -27.2 | -177.6 | -72.2 | -90.6 | 0 | 0 | 0 | 113.5 | N173 Q175 L176 N181 L182 Q187 D191 | N173-Y179 PolarHBondContact ND2-OH 2.82Å; Q175-Y179 WeakPolarHBondContact O-CD2 2.98Å; Q175-Y179 WeakPolarHBondContact O-CE2 3.29Å; L176-Y179 PolarHBondContact O-N 2.88Å; Y179-N181 PolarHBondContact O-N 2.92Å; Y179-N181 VanDerWaalsContact O-N 3.1Å; Y179-L182 PolarHBondContact O-N 3.17Å; Y179-Q187 HydrophobicContact CD1-CB 3.92Å; Y179-Q187 HydrophobicContact CD1-CG 3.71Å; Y179-Q187 HydrophobicContact CE1-CB 4.12Å; Y179-Q187 HydrophobicContact CE1-CG 4.4Å; Y179-Q187 PolarHBondContact O-NE2 3.32Å; Y179-D191 VanDerWaalsContact CE1-OD1 3.24Å; Y179-D191 WeakPolarHBondContact CE1-OD1 3.39Å; Y179-D191 PolarHBondContact OH-OD1 2.86Å |
| 180 | I | 56.9 | Low | 64.9 | Low | 130 Ų | 130 | 59.7 Ų | 59.7 | 67% | 0.667 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.9 | -166.1 | -58.6 | 174.9 | 0 | 0 | 0 | 112.3 | ||
| 181 | N | 64.6 | Low | 65 | Low | 153 Ų | 153 | 57.6 Ų | 57.6 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -4.7 | -175.4 | -66.6 | -11.8 | 0 | 0 | 0 | 114.7 | Y179 | Y179-N181 PolarHBondContact O-N 2.92Å; Y179-N181 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 67.3 | Low | 65.5 | Low | 26 Ų | 26 | 57.1 Ų | 57.1 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -98.2 | 140 | -177.4 | -71.3 | 171.6 | 0 | 0 | 0 | 110.7 | Y179 C186 Q187 I385 E389 | Y179-L182 PolarHBondContact O-N 3.17Å; L182-C186 HydrophobicContact CB-CB 4.13Å; L182-C186 HydrophobicContact CD2-CB 4.07Å; L182-Q187 HydrophobicContact CB-CG 3.76Å; L182-Q187 PolarHBondContact O-NE2 3.31Å; L182-I385 HydrophobicContact CD1-CG2 4.41Å; L182-I385 HydrophobicContact CD2-CG2 4.31Å; L182-E389 HydrophobicContact CD2-CG 4.25Å |
| 183 | S | 72.2 | Confident | 66.5 | Low | 39 Ų | 39 | 52.9 Ų | 52.9 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | trans | -64.2 | 154.5 | 169.9 | 72 | 0 | 0 | 0 | 0 | 111.1 | P185 C186 Q187 | S183-P185 VanDerWaalsContact C-N 3.35Å; S183-C186 WeakPolarHBondContact O-CA 3.05Å; S183-C186 WeakPolarHBondContact O-CB 3.02Å; S183-C186 PolarHBondContact O-N 2.91Å; S183-C186 PolarHBondContact OG-SG 2.85Å; S183-Q187 WeakPolarHBondContact O-CG 3.38Å; S183-Q187 PolarHBondContact O-N 3.31Å | ||
| 184 | I | 70.9 | Confident | 67.9 | Low | 90 Ų | 90 | 52.8 Ų | 52.8 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -47.4 | -49.3 | -178.9 | -72.5 | 166.4 | 0 | 0 | 0 | 112.5 | Y104 C186 Q187 F188 | Y104-I184 HydrophobicContact CE1-CD1 4.05Å; Y104-I184 HydrophobicContact CE1-CG1 4.3Å; Y104-I184 WeakPolarHBondContact OH-CG1 3.25Å; Y104-I184 WeakPolarHBondContact OH-CG2 3.33Å; I184-C186 VanDerWaalsContact C-N 3.3Å; I184-C186 PolarHBondContact O-N 3.49Å; I184-Q187 WeakPolarHBondContact O-CB 3.49Å; I184-Q187 PolarHBondContact O-N 2.86Å; I184-F188 PolarHBondContact O-N 2.99Å; I184-F188 VanDerWaalsContact O-N 3.08Å |
| 185 | P | 70.3 | Confident | 69.8 | Low | 32 Ų | 32 | 46 Ų | 46 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -36.3 | 178.7 | -23.2 | 33.7 | 0 | 0 | 0 | 113.5 | S183 F188 I189 K402 | S183-P185 VanDerWaalsContact C-N 3.35Å; P185-F188 PolarHBondContact O-N 2.87Å; P185-I189 WeakPolarHBondContact O-CD1 3.27Å; P185-I189 VanDerWaalsContact O-CG1 3.28Å; P185-I189 WeakPolarHBondContact O-CG1 2.86Å; P185-I189 PolarHBondContact O-N 3.38Å; P185-K402 HydrophobicContact CB-CB 4.22Å; P185-K402 HydrophobicContact CB-CG 3.78Å; P185-K402 HydrophobicContact CG-CG 4.42Å |
| 186 | C | 75.7 | Confident | 71.6 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.7 | -38.8 | 178.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | L182 S183 I184 I189 N190 C388 | L182-C186 HydrophobicContact CB-CB 4.13Å; L182-C186 HydrophobicContact CD2-CB 4.07Å; S183-C186 WeakPolarHBondContact O-CA 3.05Å; S183-C186 WeakPolarHBondContact O-CB 3.02Å; S183-C186 PolarHBondContact O-N 2.91Å; S183-C186 PolarHBondContact OG-SG 2.85Å; I184-C186 VanDerWaalsContact C-N 3.3Å; I184-C186 PolarHBondContact O-N 3.49Å; C186-I189 PolarHBondContact O-N 3.04Å; C186-N190 PolarHBondContact O-N 3.22Å; C186-C388 WeakPolarHBondContact CA-SG 3.34Å; C186-C388 HydrophobicContact CB-CB 3.78Å; C186-C388 WeakPolarHBondContact CB-SG 3.3Å; C186-C388 WeakPolarHBondContact SG-CB 3.28Å; C186-C388 CovalentContact SG-SG 2Å; C186-C388 PolarHBondContact SG-SG 2.99Å |
| 187 | Q | 74.6 | Confident | 73.5 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.6 | -64.4 | 172.5 | -1 | 0 | 0 | 110.3 | Y179 L182 S183 I184 I189 N190 D191 | Y179-Q187 HydrophobicContact CD1-CB 3.92Å; Y179-Q187 HydrophobicContact CD1-CG 3.71Å; Y179-Q187 HydrophobicContact CE1-CB 4.12Å; Y179-Q187 HydrophobicContact CE1-CG 4.4Å; Y179-Q187 PolarHBondContact O-NE2 3.32Å; L182-Q187 HydrophobicContact CB-CG 3.76Å; L182-Q187 PolarHBondContact O-NE2 3.31Å; S183-Q187 WeakPolarHBondContact O-CG 3.38Å; S183-Q187 PolarHBondContact O-N 3.31Å; I184-Q187 WeakPolarHBondContact O-CB 3.49Å; I184-Q187 PolarHBondContact O-N 2.86Å; Q187-I189 VanDerWaalsContact C-N 3.3Å; Q187-I189 PolarHBondContact O-N 3.45Å; Q187-N190 WeakPolarHBondContact O-CB 3.4Å; Q187-N190 PolarHBondContact O-N 2.8Å; Q187-N190 VanDerWaalsContact O-N 3.09Å; Q187-D191 WeakPolarHBondContact O-CB 3.37Å; Q187-D191 PolarHBondContact O-N 3.35Å |
| 188 | F | 76.3 | Confident | 75.5 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 177.8 | -164 | -79.6 | 0 | 0 | 0 | 112.3 | I184 P185 D191 M192 Y403 | I184-F188 PolarHBondContact O-N 2.99Å; I184-F188 VanDerWaalsContact O-N 3.08Å; P185-F188 PolarHBondContact O-N 2.87Å; F188-D191 PolarHBondContact O-N 2.96Å; F188-M192 WeakPolarHBondContact O-CB 3.09Å; F188-M192 PolarHBondContact O-N 3.39Å; F188-Y403 AromaticContact CD1-CD1 3.32Å; F188-Y403 HydrophobicContact CD1-CD1 3.32Å; F188-Y403 AromaticContact CD1-CE1 3.81Å; F188-Y403 HydrophobicContact CD1-CE1 3.81Å; F188-Y403 AromaticContact CD1-CG 3.96Å; F188-Y403 HydrophobicContact CD1-CG 3.96Å; F188-Y403 AromaticContact CE1-CD1 3.2Å; F188-Y403 HydrophobicContact CE1-CD1 3.2Å; F188-Y403 HydrophobicContact CE1-CD2 4.49Å; F188-Y403 AromaticContact CE1-CE1 3.19Å; F188-Y403 HydrophobicContact CE1-CE1 3.19Å; F188-Y403 AromaticContact CE1-CG 3.9Å; F188-Y403 HydrophobicContact CE1-CG 3.9Å; F188-Y403 AromaticContact CE1-CZ 3.9Å; F188-Y403 HydrophobicContact CZ-CD1 4.3Å; F188-Y403 AromaticContact CZ-CE1 3.93Å; F188-Y403 HydrophobicContact CZ-CE1 3.93Å |
| 189 | I | 79 | Confident | 77.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.3 | -70.1 | 160 | 0 | 0 | 0 | 111 | P185 C186 Q187 S193 L381 I385 L393 K402 L406 | P185-I189 WeakPolarHBondContact O-CD1 3.27Å; P185-I189 VanDerWaalsContact O-CG1 3.28Å; P185-I189 WeakPolarHBondContact O-CG1 2.86Å; P185-I189 PolarHBondContact O-N 3.38Å; C186-I189 PolarHBondContact O-N 3.04Å; Q187-I189 VanDerWaalsContact C-N 3.3Å; Q187-I189 PolarHBondContact O-N 3.45Å; I189-S193 WeakPolarHBondContact O-CB 3.32Å; I189-S193 PolarHBondContact O-N 2.81Å; I189-L381 HydrophobicContact CG2-CB 4.18Å; I189-L381 HydrophobicContact CG2-CD2 4.21Å; I189-I385 HydrophobicContact CG2-CG1 4.03Å; I189-L393 HydrophobicContact CD1-CD2 3.43Å; I189-L393 VanDerWaalsContact CD1-CD2 3.43Å; I189-K402 HydrophobicContact CD1-CB 4.2Å; I189-L406 HydrophobicContact CD1-CD1 3.52Å; I189-L406 HydrophobicContact CG1-CD1 3.99Å; I189-L406 HydrophobicContact CG2-CD1 4.07Å |
| 190 | N | 81.3 | Confident | 78.8 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.8 | -175.9 | 45 | 0 | 0 | 0 | 111.9 | C186 Q187 S193 N194 I385 | C186-N190 PolarHBondContact O-N 3.22Å; Q187-N190 WeakPolarHBondContact O-CB 3.4Å; Q187-N190 PolarHBondContact O-N 2.8Å; Q187-N190 VanDerWaalsContact O-N 3.09Å; N190-S193 WeakPolarHBondContact O-CB 3.44Å; N190-S193 PolarHBondContact O-N 3.24Å; N190-N194 VanDerWaalsContact CG-ND2 3.34Å; N190-N194 PolarHBondContact ND2-ND2 3.3Å; N190-N194 WeakPolarHBondContact O-CB 3.09Å; N190-N194 VanDerWaalsContact O-CG 3.24Å; N190-N194 PolarHBondContact O-N 2.96Å; N190-N194 PolarHBondContact O-ND2 3.35Å; N190-N194 PolarHBondContact OD1-ND2 3.45Å; N190-I385 HydrophobicContact CB-CD1 3.58Å; N190-I385 HydrophobicContact CB-CG1 4.26Å; N190-I385 VanDerWaalsContact OD1-CD1 3.31Å; N190-I385 WeakPolarHBondContact OD1-CD1 3.2Å |
| 191 | D | 79.1 | Confident | 80.3 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | 179.9 | -69.7 | -8 | 0 | 0 | 0 | 111.3 | M97 N146 Y179 Q187 F188 S193 N194 C195 | M97-D191 HydrophobicContact CE-CB 3.99Å; N146-D191 WeakPolarHBondContact CB-OD2 3.15Å; N146-D191 WeakPolarHBondContact ND2-CB 3.03Å; N146-D191 PolarHBondContact ND2-OD2 3.37Å; N146-D191 WeakPolarHBondContact OD1-CB 3.26Å; Y179-D191 VanDerWaalsContact CE1-OD1 3.24Å; Y179-D191 WeakPolarHBondContact CE1-OD1 3.39Å; Y179-D191 PolarHBondContact OH-OD1 2.86Å; Q187-D191 WeakPolarHBondContact O-CB 3.37Å; Q187-D191 PolarHBondContact O-N 3.35Å; F188-D191 PolarHBondContact O-N 2.96Å; D191-S193 VanDerWaalsContact C-N 3.35Å; D191-S193 PolarHBondContact O-N 3.2Å; D191-N194 PolarHBondContact O-N 3Å; D191-C195 VanDerWaalsContact O-CB 3.26Å; D191-C195 WeakPolarHBondContact O-CB 3.38Å; D191-C195 PolarHBondContact O-N 3.24Å |
| 192 | M | 82.5 | Confident | 81.3 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.6 | -173.4 | 62.1 | 146.9 | 0 | 0 | 111.5 | M97 F188 C195 M196 I217 L381 Y403 | M97-M192 HydrophobicContact CE-CB 4.35Å; M97-M192 HydrophobicContact CE-SD 4.35Å; M97-M192 HydrophobicContact CG-SD 3.81Å; M97-M192 HydrophobicContact SD-SD 3.84Å; F188-M192 WeakPolarHBondContact O-CB 3.09Å; F188-M192 PolarHBondContact O-N 3.39Å; M192-C195 PolarHBondContact O-N 3.18Å; M192-M196 HydrophobicContact CE-CE 3.8Å; M192-M196 HydrophobicContact CG-CE 3.9Å; M192-M196 WeakPolarHBondContact O-CB 3.48Å; M192-M196 VanDerWaalsContact O-CG 3.29Å; M192-M196 WeakPolarHBondContact O-CG 3.24Å; M192-M196 PolarHBondContact O-N 3.24Å; M192-M196 HydrophobicContact SD-CE 4.08Å; M192-I217 HydrophobicContact CE-CD1 4.32Å; M192-I217 HydrophobicContact CE-CG2 3.66Å; M192-I217 HydrophobicContact SD-CG2 3.91Å; M192-L381 HydrophobicContact CG-CD1 4.15Å; M192-Y403 HydrophobicContact CE-CD2 4.23Å; M192-Y403 HydrophobicContact CE-CE2 3.83Å; M192-Y403 HydrophobicContact CG-CD2 4.41Å |
| 193 | S | 86.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 176.3 | 167.9 | 0 | 0 | 0 | 0 | 112.1 | I189 N190 D191 M196 L197 S378 | I189-S193 WeakPolarHBondContact O-CB 3.32Å; I189-S193 PolarHBondContact O-N 2.81Å; N190-S193 WeakPolarHBondContact O-CB 3.44Å; N190-S193 PolarHBondContact O-N 3.24Å; D191-S193 VanDerWaalsContact C-N 3.35Å; D191-S193 PolarHBondContact O-N 3.2Å; S193-M196 PolarHBondContact O-N 3.49Å; S193-L197 WeakPolarHBondContact O-CG 3.48Å; S193-L197 PolarHBondContact O-N 3.05Å; S193-S378 PolarHBondContact OG-O 3Å; S193-S378 VanDerWaalsContact OG-O 3.08Å |
| 194 | N | 85.8 | Confident | 82.6 | Confident | 28 Ų | 28 | 23.2 Ų | 23.2 | 15% | 0.15 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | -178.5 | -71.5 | -35.3 | 0 | 0 | 0 | 111.6 | N190 D191 L197 K198 | N190-N194 VanDerWaalsContact CG-ND2 3.34Å; N190-N194 PolarHBondContact ND2-ND2 3.3Å; N190-N194 WeakPolarHBondContact O-CB 3.09Å; N190-N194 VanDerWaalsContact O-CG 3.24Å; N190-N194 PolarHBondContact O-N 2.96Å; N190-N194 PolarHBondContact O-ND2 3.35Å; N190-N194 PolarHBondContact OD1-ND2 3.45Å; D191-N194 PolarHBondContact O-N 3Å; N194-L197 PolarHBondContact O-N 3.24Å; N194-K198 WeakPolarHBondContact O-CB 3.45Å; N194-K198 WeakPolarHBondContact O-CG 3.49Å; N194-K198 PolarHBondContact O-N 3.44Å |
| 195 | C | 87 | Confident | 82.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.2 | -54.8 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 110 | M97 M142 C144 D191 M192 L197 K198 S199 | M97-C195 HydrophobicContact SD-CB 3.4Å; M97-C195 WeakPolarHBondContact SD-CB 3.5Å; M97-C195 PolarHBondContact SD-SG 3.35Å; M142-C195 WeakPolarHBondContact CE-O 3.42Å; C144-C195 HydrophobicContact CB-CB 3.67Å; C144-C195 WeakPolarHBondContact CB-SG 3.5Å; C144-C195 VanDerWaalsContact SG-CA 3.58Å; C144-C195 WeakPolarHBondContact SG-CB 3.22Å; C144-C195 CovalentContact SG-SG 2.02Å; C144-C195 PolarHBondContact SG-SG 2.83Å; D191-C195 VanDerWaalsContact O-CB 3.26Å; D191-C195 WeakPolarHBondContact O-CB 3.38Å; D191-C195 PolarHBondContact O-N 3.24Å; M192-C195 PolarHBondContact O-N 3.18Å; C195-L197 PolarHBondContact O-N 3.18Å; C195-K198 PolarHBondContact O-N 2.79Å; C195-K198 VanDerWaalsContact O-N 3.11Å; C195-S199 PolarHBondContact O-N 2.78Å; C195-S199 PolarHBondContact O-OG 3.09Å |
| 196 | M | 89.7 | Confident | 83 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.3 | -47.4 | 177.5 | -77.3 | -177.5 | -177 | 0 | 0 | 114 | M192 S193 K198 S199 I200 I217 V374 I377 L381 I407 | M192-M196 HydrophobicContact CE-CE 3.8Å; M192-M196 HydrophobicContact CG-CE 3.9Å; M192-M196 WeakPolarHBondContact O-CB 3.48Å; M192-M196 VanDerWaalsContact O-CG 3.29Å; M192-M196 WeakPolarHBondContact O-CG 3.24Å; M192-M196 PolarHBondContact O-N 3.24Å; M192-M196 HydrophobicContact SD-CE 4.08Å; S193-M196 PolarHBondContact O-N 3.49Å; M196-K198 VanDerWaalsContact C-N 3.29Å; M196-K198 PolarHBondContact O-N 3.33Å; M196-S199 WeakPolarHBondContact O-CB 3.35Å; M196-S199 PolarHBondContact O-N 3.1Å; M196-I200 WeakPolarHBondContact O-CG1 3.44Å; M196-I200 PolarHBondContact O-N 3.46Å; M196-I217 HydrophobicContact CE-CD1 3.28Å; M196-I217 HydrophobicContact CG-CD1 3.48Å; M196-I217 VanDerWaalsContact CG-CD1 3.48Å; M196-I217 HydrophobicContact SD-CD1 4.13Å; M196-V374 HydrophobicContact CB-CG1 3.51Å; M196-V374 HydrophobicContact CG-CG1 3.7Å; M196-V374 HydrophobicContact SD-CG1 4.15Å; M196-I377 HydrophobicContact CE-CG2 4.04Å; M196-I377 HydrophobicContact SD-CB 4.4Å; M196-I377 HydrophobicContact SD-CG2 3.84Å; M196-L381 HydrophobicContact CE-CD1 4.36Å; M196-L381 HydrophobicContact SD-CD1 4.18Å; M196-I407 HydrophobicContact CE-CD1 4.16Å |
| 197 | L | 89.2 | Confident | 82.7 | Confident | 23 Ų | 23 | 31.6 Ų | 31.6 | 12% | 0.12 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 179.1 | -74.3 | 170 | 0 | 0 | 0 | 111.7 | S193 N194 C195 I200 D201 S378 Y379 K382 | S193-L197 WeakPolarHBondContact O-CG 3.48Å; S193-L197 PolarHBondContact O-N 3.05Å; N194-L197 PolarHBondContact O-N 3.24Å; C195-L197 PolarHBondContact O-N 3.18Å; L197-I200 WeakPolarHBondContact O-CB 3.19Å; L197-I200 PolarHBondContact O-N 2.97Å; L197-D201 PolarHBondContact O-N 3.42Å; L197-S378 VanDerWaalsContact CD2-OG 3.24Å; L197-S378 WeakPolarHBondContact CD2-OG 3.33Å; L197-Y379 HydrophobicContact CD2-CD1 4.49Å; L197-Y379 HydrophobicContact CD2-CE1 4.09Å; L197-Y379 HydrophobicContact CD2-CE2 4.45Å; L197-K382 HydrophobicContact CD1-CD 4.33Å |
| 198 | K | 88.6 | Confident | 82.2 | Confident | 89 Ų | 89 | 40.6 Ų | 40.6 | 39% | 0.387 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -73.3 | -30.9 | -178.4 | -71 | -79.6 | 170.1 | -143.1 | 0 | 112.6 | M142 L171 N194 C195 M196 I200 D201 L202 | M142-K198 HydrophobicContact CE-CB 4.05Å; M142-K198 HydrophobicContact SD-CB 4.13Å; L171-K198 HydrophobicContact CD1-CB 3.57Å; L171-K198 HydrophobicContact CD1-CD 3.56Å; L171-K198 HydrophobicContact CD1-CG 3.36Å; L171-K198 HydrophobicContact CD2-CB 4.26Å; L171-K198 HydrophobicContact CD2-CG 4.09Å; L171-K198 HydrophobicContact CG-CG 4.37Å; N194-K198 WeakPolarHBondContact O-CB 3.45Å; N194-K198 WeakPolarHBondContact O-CG 3.49Å; N194-K198 PolarHBondContact O-N 3.44Å; C195-K198 PolarHBondContact O-N 2.79Å; C195-K198 VanDerWaalsContact O-N 3.11Å; M196-K198 VanDerWaalsContact C-N 3.29Å; M196-K198 PolarHBondContact O-N 3.33Å; K198-I200 PolarHBondContact O-N 2.74Å; K198-D201 IonicContact NZ-OD2 3.83Å; K198-D201 PolarHBondContact NZ-OD2 2.88Å; K198-D201 PolarHBondContact O-N 2.74Å; K198-L202 WeakPolarHBondContact O-CB 3.29Å; K198-L202 PolarHBondContact O-N 3.48Å |
| 199 | S | 89.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 170.1 | -49 | 0 | 0 | 0 | 0 | 110.3 | S95 M142 C195 M196 I203 | S95-S199 PolarHBondContact OG-OG 2.82Å; M142-S199 WeakPolarHBondContact CE-OG 3.26Å; C195-S199 PolarHBondContact O-N 2.78Å; C195-S199 PolarHBondContact O-OG 3.09Å; M196-S199 WeakPolarHBondContact O-CB 3.35Å; M196-S199 PolarHBondContact O-N 3.1Å; S199-I203 WeakPolarHBondContact O-CD1 3.4Å; S199-I203 VanDerWaalsContact O-CG1 3.3Å; S199-I203 WeakPolarHBondContact O-CG1 3.39Å; S199-I203 PolarHBondContact O-N 3Å |
| 200 | I | 88.5 | Confident | 81.6 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.7 | -43.8 | 177.1 | -61.6 | 161 | 0 | 0 | 0 | 111.3 | M196 L197 K198 L202 I203 K204 I215 I371 V374 K375 | M196-I200 WeakPolarHBondContact O-CG1 3.44Å; M196-I200 PolarHBondContact O-N 3.46Å; L197-I200 WeakPolarHBondContact O-CB 3.19Å; L197-I200 PolarHBondContact O-N 2.97Å; K198-I200 PolarHBondContact O-N 2.74Å; I200-L202 PolarHBondContact O-N 2.91Å; I200-I203 PolarHBondContact O-N 3.32Å; I200-K204 HydrophobicContact CG2-CD 4.14Å; I200-K204 HydrophobicContact CG2-CG 4.37Å; I200-K204 WeakPolarHBondContact O-CG 3.35Å; I200-K204 PolarHBondContact O-N 3.14Å; I200-I215 HydrophobicContact CG1-CD1 3.73Å; I200-I371 HydrophobicContact CG1-CG2 4.4Å; I200-I371 HydrophobicContact CG2-CG2 4.44Å; I200-V374 HydrophobicContact CD1-CB 4.19Å; I200-V374 HydrophobicContact CD1-CG1 3.89Å; I200-V374 HydrophobicContact CG1-CG1 4.3Å; I200-K375 VanDerWaalsContact CD1-CA 3.46Å; I200-K375 HydrophobicContact CD1-CB 3.73Å; I200-K375 HydrophobicContact CD1-CG 4.37Å |
| 201 | D | 87.6 | Confident | 81.2 | Confident | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.3 | -39.6 | 176.1 | -74.2 | -13 | 0 | 0 | 0 | 111.3 | L197 K198 I203 K204 K205 | L197-D201 PolarHBondContact O-N 3.42Å; K198-D201 IonicContact NZ-OD2 3.83Å; K198-D201 PolarHBondContact NZ-OD2 2.88Å; K198-D201 PolarHBondContact O-N 2.74Å; D201-I203 VanDerWaalsContact C-N 3.34Å; D201-I203 PolarHBondContact O-N 3.29Å; D201-K204 PolarHBondContact O-N 2.83Å; D201-K205 WeakPolarHBondContact O-CG 3.31Å; D201-K205 PolarHBondContact O-N 2.84Å |
| 202 | L | 84.7 | Confident | 81.1 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 177.8 | 178 | 63.8 | 0 | 0 | 0 | 111.3 | V93 Y140 Y169 K198 I200 K205 | V93-L202 HydrophobicContact CG1-CD2 4.28Å; Y140-L202 HydrophobicContact CD2-CD2 4.38Å; Y140-L202 HydrophobicContact CG-CD2 4.4Å; Y169-L202 HydrophobicContact CD1-CD1 3.71Å; Y169-L202 HydrophobicContact CD2-CD1 3.58Å; Y169-L202 HydrophobicContact CD2-CD2 3.47Å; Y169-L202 VanDerWaalsContact CD2-CD2 3.47Å; Y169-L202 HydrophobicContact CD2-CG 4.16Å; Y169-L202 HydrophobicContact CE1-CD1 3.67Å; Y169-L202 HydrophobicContact CE2-CD1 3.53Å; Y169-L202 HydrophobicContact CE2-CD2 3.93Å; Y169-L202 HydrophobicContact CE2-CG 4.27Å; Y169-L202 HydrophobicContact CG-CD1 3.66Å; Y169-L202 HydrophobicContact CG-CD2 3.97Å; Y169-L202 HydrophobicContact CG-CG 4.48Å; K198-L202 WeakPolarHBondContact O-CB 3.29Å; K198-L202 PolarHBondContact O-N 3.48Å; I200-L202 PolarHBondContact O-N 2.91Å; L202-K205 PolarHBondContact O-N 3.35Å |
| 203 | I | 84.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -46.5 | -178 | -62.3 | 165.2 | 0 | 0 | 0 | 110.6 | V93 Y138 S199 I200 D201 K205 Q206 Q207 Y210 I215 I371 | V93-I203 HydrophobicContact CB-CD1 4.15Å; V93-I203 HydrophobicContact CG2-CD1 3.36Å; V93-I203 HydrophobicContact CG2-CG1 3.38Å; Y138-I203 HydrophobicContact CE2-CG1 4.44Å; Y138-I203 WeakPolarHBondContact OH-CG1 3.47Å; Y138-I203 WeakPolarHBondContact OH-CG2 3.27Å; S199-I203 WeakPolarHBondContact O-CD1 3.4Å; S199-I203 VanDerWaalsContact O-CG1 3.3Å; S199-I203 WeakPolarHBondContact O-CG1 3.39Å; S199-I203 PolarHBondContact O-N 3Å; I200-I203 PolarHBondContact O-N 3.32Å; D201-I203 VanDerWaalsContact C-N 3.34Å; D201-I203 PolarHBondContact O-N 3.29Å; I203-K205 VanDerWaalsContact C-N 3.29Å; I203-K205 PolarHBondContact O-N 2.63Å; I203-Q206 PolarHBondContact O-N 3.04Å; I203-Q207 PolarHBondContact O-N 2.82Å; I203-Q207 VanDerWaalsContact O-N 3.07Å; I203-Y210 HydrophobicContact CG2-CG 4.05Å; I203-I215 HydrophobicContact CD1-CD1 4.25Å; I203-I215 HydrophobicContact CD1-CG1 4.07Å; I203-I371 HydrophobicContact CB-CD1 4.29Å; I203-I371 HydrophobicContact CD1-CD1 3.31Å; I203-I371 HydrophobicContact CD1-CG1 3.92Å; I203-I371 HydrophobicContact CG1-CD1 4.33Å; I203-I371 HydrophobicContact CG2-CD1 3.84Å |
| 204 | K | 83.4 | Confident | 81.5 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.3 | -38.4 | 178.1 | -77 | 178 | 177.4 | 175.7 | 0 | 113.5 | I200 D201 Q206 Y210 | I200-K204 HydrophobicContact CG2-CD 4.14Å; I200-K204 HydrophobicContact CG2-CG 4.37Å; I200-K204 WeakPolarHBondContact O-CG 3.35Å; I200-K204 PolarHBondContact O-N 3.14Å; D201-K204 PolarHBondContact O-N 2.83Å; K204-Q206 PolarHBondContact O-N 3.18Å; K204-Y210 VanDerWaalsContact CE-OH 3.26Å; K204-Y210 WeakPolarHBondContact CE-OH 3.28Å; K204-Y210 HydrophobicContact CG-CD1 4.26Å; K204-Y210 HydrophobicContact CG-CE1 3.72Å; K204-Y210 HydrophobicContact CG-CE2 4.22Å |
| 205 | K | 77.3 | Confident | 81.8 | Confident | 181 Ų | 181 | 55.9 Ų | 55.9 | 79% | 0.787 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.1 | -26.7 | 179.2 | -80.6 | 179.3 | 178.5 | -175.2 | 0 | 112.5 | D201 L202 I203 | D201-K205 WeakPolarHBondContact O-CG 3.31Å; D201-K205 PolarHBondContact O-N 2.84Å; L202-K205 PolarHBondContact O-N 3.35Å; I203-K205 VanDerWaalsContact C-N 3.29Å; I203-K205 PolarHBondContact O-N 2.63Å |
| 206 | Q | 72.6 | Confident | 82.1 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -96.6 | -27.5 | -175.4 | -62.3 | -143.8 | 20.3 | 0 | 0 | 113 | Y140 Y169 I203 K204 | Y140-Q206 VanDerWaalsContact CZ-OE1 3.26Å; Y140-Q206 PolarHBondContact OH-OE1 2.81Å; Y169-Q206 PolarHBondContact OH-NE2 3.22Å; I203-Q206 PolarHBondContact O-N 3.04Å; K204-Q206 PolarHBondContact O-N 3.18Å |
| 207 | Q | 68.3 | Low | 82.1 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -147.3 | 142.6 | -169.4 | -61.5 | -173.8 | -10.3 | 0 | 0 | 113.7 | K137 I203 | K137-Q207 VanDerWaalsContact CD-OE1 3.24Å; K137-Q207 VanDerWaalsContact CE-NE2 3.3Å; I203-Q207 PolarHBondContact O-N 2.82Å; I203-Q207 VanDerWaalsContact O-N 3.07Å | ||
| 208 | E | 64.2 | Low | 82.1 | Confident | 194 Ų | 194 | 55 Ų | 55 | 91% | 0.907 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -78.6 | -32.5 | 178.6 | -67.1 | -176.4 | 162.8 | 0 | 0 | 113.1 | ||
| 209 | Q | 69 | Low | 81.7 | Confident | 141 Ų | 141 | 52.4 Ų | 52.4 | 66% | 0.659 | 25% | 0.247 | S | C | * | . | trans | -112.8 | 110.4 | 177.1 | -76.7 | -176.3 | -26.2 | 0 | 0 | 110.7 | K137 | K137-Q209 PolarHBondContact NZ-O 3.43Š| ||
| 210 | Y | 75.4 | Confident | 81.4 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | trans | -134.9 | 3.2 | -175.9 | 56.8 | -93 | 0 | 0 | 0 | 114.1 | I203 K204 N212 D213 I371 | I203-Y210 HydrophobicContact CG2-CG 4.05Å; K204-Y210 VanDerWaalsContact CE-OH 3.26Å; K204-Y210 WeakPolarHBondContact CE-OH 3.28Å; K204-Y210 HydrophobicContact CG-CD1 4.26Å; K204-Y210 HydrophobicContact CG-CE1 3.72Å; K204-Y210 HydrophobicContact CG-CE2 4.22Å; Y210-N212 PolarHBondContact O-N 3.38Å; Y210-D213 WeakPolarHBondContact CA-OD2 3.36Å; Y210-D213 WeakPolarHBondContact O-CB 3.46Å; Y210-D213 PolarHBondContact O-N 2.86Å; Y210-I371 HydrophobicContact CD2-CD1 4.07Å; Y210-I371 HydrophobicContact CD2-CG2 3.94Å; Y210-I371 HydrophobicContact CE2-CG2 4.17Å; Y210-I371 WeakPolarHBondContact O-CD1 3.23Å | ||
| 211 | D | 71.9 | Confident | 80.7 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.8 | -172.1 | -63.6 | -32.8 | 0 | 0 | 0 | 113.8 | ||
| 212 | N | 77.8 | Confident | 80.3 | Confident | 108 Ų | 108 | 50.8 Ų | 50.8 | 58% | 0.578 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 0.2 | -179.9 | -65.3 | -19.6 | 0 | 0 | 0 | 113.4 | H90 Y210 Y214 | H90-N212 PolarHBondContact ND1-O 3.45Å; Y210-N212 PolarHBondContact O-N 3.38Å; N212-Y214 WeakPolarHBondContact O-CD2 3.31Å; N212-Y214 VanDerWaalsContact O-CE2 3.26Å; N212-Y214 WeakPolarHBondContact O-CE2 3.44Å |
| 213 | D | 86.7 | Confident | 80.1 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -88 | 159.5 | -173.9 | -62.2 | -29.5 | 0 | 0 | 0 | 112 | G91 Y138 Y210 I371 | G91-D213 WeakPolarHBondContact CA-OD1 3.42Å; G91-D213 PolarHBondContact N-OD1 2.86Å; Y138-D213 WeakPolarHBondContact OH-CB 3.45Å; Y138-D213 VanDerWaalsContact OH-CG 3.26Å; Y138-D213 PolarHBondContact OH-OD2 2.75Å; Y210-D213 WeakPolarHBondContact CA-OD2 3.36Å; Y210-D213 WeakPolarHBondContact O-CB 3.46Å; Y210-D213 PolarHBondContact O-N 2.86Å; D213-I371 HydrophobicContact CB-CD1 3.55Å; D213-I371 HydrophobicContact CB-CG1 4.35Å; D213-I371 WeakPolarHBondContact O-CG1 3.24Å; D213-I371 PolarHBondContact O-N 3.37Å; D213-I371 VanDerWaalsContact O-N 3.07Å | ||
| 214 | Y | 90.1 | Very high | 80.2 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150.1 | -173.9 | -66.6 | -94.7 | 0 | 0 | 0 | 112 | H90 G91 I92 V93 N212 I236 Q239 L248 L368 Y369 P370 | H90-Y214 HydrophobicContact CB-CD2 4.37Å; H90-Y214 HydrophobicContact CB-CE2 4.4Å; H90-Y214 AromaticContact ND1-CE2 3.75Å; G91-Y214 PolarHBondContact O-N 2.94Å; I92-Y214 CarbonylContact C-O 3.54Å; I92-Y214 WeakPolarHBondContact CA-O 3.28Å; V93-Y214 PolarHBondContact N-O 3.1Å; N212-Y214 WeakPolarHBondContact O-CD2 3.31Å; N212-Y214 VanDerWaalsContact O-CE2 3.26Å; N212-Y214 WeakPolarHBondContact O-CE2 3.44Å; Y214-I236 HydrophobicContact CD2-CD1 3.89Å; Y214-I236 HydrophobicContact CD2-CG1 3.9Å; Y214-I236 HydrophobicContact CD2-CG2 4.33Å; Y214-I236 HydrophobicContact CE2-CB 4.34Å; Y214-I236 HydrophobicContact CE2-CD1 4.29Å; Y214-I236 HydrophobicContact CE2-CG1 3.81Å; Y214-I236 HydrophobicContact CE2-CG2 3.79Å; Y214-I236 HydrophobicContact CG-CD1 4.28Å; Y214-I236 HydrophobicContact CG-CG1 4.34Å; Y214-Q239 PolarHBondContact OH-OE1 2.86Å; Y214-L248 HydrophobicContact CE1-CB 4.18Å; Y214-L248 HydrophobicContact CE1-CD1 3.82Å; Y214-L368 HydrophobicContact CD1-CD2 4.1Å; Y214-L368 HydrophobicContact CD1-CG 4.1Å; Y214-Y369 CarbonylContact C-O 3.53Å; Y214-Y369 VanDerWaalsContact CA-O 3.32Å; Y214-Y369 WeakPolarHBondContact CA-O 3.32Å; Y214-P370 HydrophobicContact CD1-CB 4.49Å; Y214-P370 HydrophobicContact CE1-CB 4.32Å; Y214-P370 HydrophobicContact CE1-CG 4.16Å |
| 215 | I | 91.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.9 | 173.3 | -61.3 | 169.8 | 0 | 0 | 0 | 107.8 | V93 I200 I203 I217 Y369 I371 V374 | V93-I215 HydrophobicContact CB-CG1 4.39Å; V93-I215 CarbonylContact O-C 3.56Å; V93-I215 VanDerWaalsContact O-CA 3.31Å; V93-I215 WeakPolarHBondContact O-CA 3.46Å; I200-I215 HydrophobicContact CG1-CD1 3.73Å; I203-I215 HydrophobicContact CD1-CD1 4.25Å; I203-I215 HydrophobicContact CD1-CG1 4.07Å; I215-I217 HydrophobicContact CG2-CG1 3.91Å; I215-Y369 PolarHBondContact N-O 2.94Å; I215-Y369 PolarHBondContact O-N 3.33Å; I215-I371 HydrophobicContact CD1-CG1 3.85Å; I215-I371 HydrophobicContact CG1-CG1 3.98Å; I215-V374 HydrophobicContact CB-CG2 3.97Å; I215-V374 HydrophobicContact CD1-CB 3.94Å; I215-V374 HydrophobicContact CD1-CG1 3.84Å; I215-V374 HydrophobicContact CD1-CG2 3.95Å; I215-V374 HydrophobicContact CG1-CG2 4.44Å; I215-V374 HydrophobicContact CG2-CG2 4.45Å |
| 216 | L | 93 | Very high | 80.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.9 | 171 | 169.8 | 56.4 | 0 | 0 | 0 | 107.9 | I92 V93 I94 S95 I218 L232 L253 N367 L368 F426 | I92-L216 HydrophobicContact CG2-CB 4.46Å; V93-L216 PolarHBondContact O-N 3.43Å; I94-L216 CarbonylContact C-O 3.51Å; I94-L216 WeakPolarHBondContact CA-O 3.45Å; I94-L216 HydrophobicContact CD1-CD2 4.37Å; I94-L216 HydrophobicContact CG1-CB 4.38Å; I94-L216 HydrophobicContact CG1-CD2 4.16Å; I94-L216 HydrophobicContact CG2-CD2 4.05Å; I94-L216 HydrophobicContact CG2-CG 4.21Å; S95-L216 PolarHBondContact N-O 3.36Å; L216-I218 HydrophobicContact CD1-CG2 3.79Å; L216-I218 HydrophobicContact CD2-CG2 4.36Å; L216-I218 HydrophobicContact CG-CG2 3.91Å; L216-L232 HydrophobicContact CD2-CD1 4.28Å; L216-L253 HydrophobicContact CD1-CD1 3.46Å; L216-L253 VanDerWaalsContact CD1-CD1 3.46Å; L216-N367 CarbonylContact C-O 3.54Å; L216-N367 WeakPolarHBondContact CA-O 2.99Å; L216-N367 WeakPolarHBondContact CD1-O 3.06Å; L216-L368 HydrophobicContact CB-CD1 3.8Å; L216-F426 HydrophobicContact CD1-CZ 4.44Å; L216-F426 HydrophobicContact CD2-CZ 4.14Å |
| 217 | I | 89.8 | Confident | 81 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.6 | 175.6 | -52.7 | 177.8 | 0 | 0 | 0 | 108.5 | S95 M97 M192 M196 I215 A366 N367 Y369 | S95-I217 WeakPolarHBondContact O-CA 3.31Å; M97-I217 HydrophobicContact CG-CG2 4.01Å; M192-I217 HydrophobicContact CE-CD1 4.32Å; M192-I217 HydrophobicContact CE-CG2 3.66Å; M192-I217 HydrophobicContact SD-CG2 3.91Å; M196-I217 HydrophobicContact CE-CD1 3.28Å; M196-I217 HydrophobicContact CG-CD1 3.48Å; M196-I217 VanDerWaalsContact CG-CD1 3.48Å; M196-I217 HydrophobicContact SD-CD1 4.13Å; I215-I217 HydrophobicContact CG2-CG1 3.91Å; I217-A366 CarbonylContact O-C 3.25Å; I217-A366 VanDerWaalsContact O-CA 3.27Å; I217-A366 WeakPolarHBondContact O-CA 3.15Å; I217-N367 PolarHBondContact N-O 2.83Å; I217-N367 PolarHBondContact O-N 3.42Å; I217-Y369 HydrophobicContact CB-CE2 4.43Å; I217-Y369 HydrophobicContact CD1-CD2 4.07Å; I217-Y369 HydrophobicContact CD1-CE2 3.75Å; I217-Y369 HydrophobicContact CG1-CD2 4.28Å; I217-Y369 HydrophobicContact CG1-CE2 4.14Å |
| 218 | I | 89 | Confident | 81.9 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157 | 177.8 | 65.7 | 172.9 | 0 | 0 | 0 | 110.8 | I94 S95 I96 M97 L121 L216 M222 M365 A366 F426 | I94-I218 HydrophobicContact CG2-CD1 4.17Å; I94-I218 HydrophobicContact CG2-CG1 4.44Å; S95-I218 PolarHBondContact O-N 2.98Å; I96-I218 CarbonylContact C-O 3.51Å; I96-I218 WeakPolarHBondContact CA-O 3.35Å; I96-I218 HydrophobicContact CB-CG1 4.29Å; I96-I218 HydrophobicContact CD1-CD1 4.32Å; I96-I218 HydrophobicContact CG1-CD1 3.96Å; I96-I218 HydrophobicContact CG1-CG1 3.92Å; I96-I218 HydrophobicContact CG2-CG1 4.25Å; M97-I218 PolarHBondContact N-O 3.47Å; L121-I218 HydrophobicContact CD1-CD1 3.75Å; L216-I218 HydrophobicContact CD1-CG2 3.79Å; L216-I218 HydrophobicContact CD2-CG2 4.36Å; L216-I218 HydrophobicContact CG-CG2 3.91Å; I218-M222 HydrophobicContact CB-CB 4.43Å; I218-M365 WeakPolarHBondContact CA-O 3.37Å; I218-A366 HydrophobicContact CG2-CB 3.84Å; I218-F426 HydrophobicContact CD1-CE1 4.47Å; I218-F426 HydrophobicContact CG2-CE1 3.9Å; I218-F426 HydrophobicContact CG2-CE2 4.44Å; I218-F426 HydrophobicContact CG2-CZ 3.85Å |
| 219 | K | 81.7 | Confident | 83.1 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 15% | 0.148 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 157.5 | 166.8 | -67.7 | -168.1 | 173.6 | -162.7 | 0 | 111.9 | D221 M222 M365 | K219-D221 WeakPolarHBondContact CB-OD1 3.47Å; K219-D221 PolarHBondContact O-N 3.47Å; K219-M222 HydrophobicContact CB-CG 4.2Å; K219-M222 WeakPolarHBondContact O-CB 3.47Å; K219-M222 PolarHBondContact O-N 3.28Å; K219-M365 HydrophobicContact CD-CB 4.46Å; K219-M365 HydrophobicContact CD-CG 4.33Å; K219-M365 PolarHBondContact N-O 2.83Å |
| 220 | E | 81.3 | Confident | 84 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.5 | -178.3 | 70.2 | -178.8 | 157.3 | 0 | 0 | 114.9 | I96 M97 S99 R101 Q110 Y113 L114 S117 | I96-E220 HydrophobicContact CG2-CB 4.16Å; M97-E220 PolarHBondContact O-N 3.39Å; S99-E220 WeakPolarHBondContact CB-OE1 3.23Å; S99-E220 PolarHBondContact N-OE1 3.24Å; S99-E220 VanDerWaalsContact N-OE1 3.12Å; S99-E220 PolarHBondContact OG-OE1 3.48Å; R101-E220 IonicContact CZ-OE2 2.67Å; R101-E220 IonicContact NH2-OE2 2.76Å; R101-E220 PolarHBondContact NH2-OE2 2.8Å; Q110-E220 PolarHBondContact NE2-OE1 3.27Å; Y113-E220 CarbonylContact C-O 3.53Å; Y113-E220 VanDerWaalsContact C-O 3.25Å; L114-E220 HydrophobicContact CB-CB 4Å; L114-E220 HydrophobicContact CD1-CB 3.86Å; L114-E220 HydrophobicContact CG-CB 4.42Å; L114-E220 PolarHBondContact N-O 3.49Å; S117-E220 WeakPolarHBondContact CB-O 3.38Å |
| 221 | D | 75.2 | Confident | 84.4 | Confident | 17 Ų | 17 | 27.9 Ų | 27.9 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.5 | -179.3 | 57.5 | 0.6 | 0 | 0 | 0 | 114 | K219 H428 C429 | K219-D221 WeakPolarHBondContact CB-OD1 3.47Å; K219-D221 PolarHBondContact O-N 3.47Å; D221-H428 IonicContact OD2-CD2 2.81Å; D221-H428 IonicContact OD2-NE2 3.14Å; D221-H428 PolarHBondContact OD2-NE2 3.08Å; D221-C429 PolarHBondContact O-N 3.32Å |
| 222 | M | 79.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.6 | 178 | -66.4 | -76.3 | 123.3 | 0 | 0 | 111.2 | S117 I218 K219 Y254 M365 F426 K427 H428 | S117-M222 WeakPolarHBondContact CB-O 3.32Å; S117-M222 PolarHBondContact OG-O 2.81Å; I218-M222 HydrophobicContact CB-CB 4.43Å; K219-M222 HydrophobicContact CB-CG 4.2Å; K219-M222 WeakPolarHBondContact O-CB 3.47Å; K219-M222 PolarHBondContact O-N 3.28Å; M222-Y254 HydrophobicContact CE-CD1 4.15Å; M222-Y254 HydrophobicContact CE-CE1 4.02Å; M222-Y254 HydrophobicContact SD-CD1 3.95Å; M222-Y254 HydrophobicContact SD-CE1 4.28Å; M222-Y254 HydrophobicContact SD-CG 4.32Å; M222-M365 HydrophobicContact CE-CB 3.54Å; M222-M365 HydrophobicContact CE-CG 4Å; M222-M365 HydrophobicContact CE-SD 3.28Å; M222-M365 WeakPolarHBondContact CE-SD 3.17Å; M222-M365 HydrophobicContact CG-CB 4.4Å; M222-M365 HydrophobicContact SD-CB 3.82Å; M222-F426 HydrophobicContact CB-CB 4.34Å; M222-F426 HydrophobicContact CB-CD1 3.96Å; M222-F426 HydrophobicContact CB-CG 4.41Å; M222-F426 HydrophobicContact SD-CB 3.78Å; M222-F426 HydrophobicContact SD-CG 4.48Å; M222-K427 WeakPolarHBondContact CA-O 3.03Å; M222-H428 HydrophobicContact CE-CB 3.72Å; M222-H428 WeakPolarHBondContact CE-CD2 3.35Å |
| 223 | I | 80.7 | Confident | 85.6 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 5% | 0.046 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.6 | 170.8 | -55.2 | -176.1 | 0 | 0 | 0 | 109.6 | Q116 T120 F426 K427 C429 | Q116-I223 HydrophobicContact CG-CD1 3.79Å; Q116-I223 HydrophobicContact CG-CG1 4.33Å; Q116-I223 VanDerWaalsContact NE2-CD1 3.29Å; T120-I223 HydrophobicContact CG2-CG2 3.85Å; I223-F426 CarbonylContact O-C 3.51Å; I223-F426 VanDerWaalsContact O-CA 3.32Å; I223-F426 WeakPolarHBondContact O-CA 3.07Å; I223-K427 PolarHBondContact N-O 3.12Å; I223-K427 PolarHBondContact O-N 2.83Å; I223-C429 HydrophobicContact CD1-CB 3.94Å; I223-C429 WeakPolarHBondContact CD1-SG 3.25Å; I223-C429 HydrophobicContact CG1-CB 4.24Å |
| 224 | A | 85.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 140.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L121 L124 L228 F426 | L121-A224 HydrophobicContact CD2-CB 3.88Å; L124-A224 HydrophobicContact CD1-CB 3.5Å; A224-L228 HydrophobicContact CB-CB 4.35Å; A224-L228 HydrophobicContact CB-CD2 3.56Å; A224-F426 HydrophobicContact CB-CD1 4.17Å; A224-F426 HydrophobicContact CB-CE1 3.85Å |
| 225 | I | 83.8 | Confident | 84.9 | Confident | 37 Ų | 37 | 24.3 Ų | 24.3 | 19% | 0.19 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 160.4 | 170.7 | 67.9 | 172.5 | 0 | 0 | 0 | 111.9 | L124 N227 L228 N424 L425 K427 | L124-I225 VanDerWaalsContact CD1-O 3.25Å; L124-I225 WeakPolarHBondContact CD1-O 3.31Å; I225-N227 WeakPolarHBondContact CD1-OD1 3.4Å; I225-N227 WeakPolarHBondContact CG1-OD1 3.49Å; I225-N227 PolarHBondContact O-N 3.39Å; I225-N227 VanDerWaalsContact O-N 3.08Å; I225-L228 WeakPolarHBondContact O-CB 3.17Å; I225-L228 PolarHBondContact O-N 3.43Å; I225-L228 VanDerWaalsContact O-N 3.09Å; I225-N424 WeakPolarHBondContact CD1-O 3.43Å; I225-N424 WeakPolarHBondContact CG2-O 3.27Å; I225-L425 HydrophobicContact CD1-CD2 3.98Å; I225-L425 HydrophobicContact CG1-CD2 4.32Å; I225-L425 WeakPolarHBondContact CG1-O 3.49Å; I225-L425 PolarHBondContact N-O 3.28Å; I225-L425 VanDerWaalsContact N-O 3.11Å; I225-K427 HydrophobicContact CG2-CG 4.46Å |
| 226 | N | 82.6 | Confident | 84.4 | Confident | 139 Ų | 139 | 24.3 Ų | 24.3 | 74% | 0.743 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.1 | -170.9 | -66.8 | -10.4 | 0 | 0 | 0 | 115.6 | L124 | L124-N226 HydrophobicContact CD2-CB 4.4Š|
| 227 | N | 83 | Confident | 83.7 | Confident | 48 Ų | 48 | 27.7 Ų | 27.7 | 26% | 0.257 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 17.6 | -178.6 | 60.4 | -35.2 | 0 | 0 | 0 | 113.5 | I225 F229 D230 I231 | I225-N227 WeakPolarHBondContact CD1-OD1 3.4Å; I225-N227 WeakPolarHBondContact CG1-OD1 3.49Å; I225-N227 PolarHBondContact O-N 3.39Å; I225-N227 VanDerWaalsContact O-N 3.08Å; N227-F229 PolarHBondContact O-N 2.84Å; N227-D230 PolarHBondContact O-N 3.44Å; N227-I231 VanDerWaalsContact ND2-CD1 3.35Å; N227-I231 WeakPolarHBondContact ND2-CD1 2.98Å; N227-I231 PolarHBondContact O-N 3.11Å |
| 228 | L | 88.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.7 | -53.6 | -179.5 | 175.5 | 65.8 | 0 | 0 | 0 | 112.2 | L121 L124 A224 I225 D230 I231 L232 L425 F426 | L121-L228 HydrophobicContact CD2-CD2 3.91Å; L124-L228 HydrophobicContact CD1-CB 4.36Å; A224-L228 HydrophobicContact CB-CB 4.35Å; A224-L228 HydrophobicContact CB-CD2 3.56Å; I225-L228 WeakPolarHBondContact O-CB 3.17Å; I225-L228 PolarHBondContact O-N 3.43Å; I225-L228 VanDerWaalsContact O-N 3.09Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 3.43Å; L228-I231 PolarHBondContact O-N 3.37Å; L228-L232 HydrophobicContact CD1-CD1 4.01Å; L228-L232 HydrophobicContact CD1-CG 4.06Å; L228-L232 HydrophobicContact CD2-CD1 4.34Å; L228-L232 HydrophobicContact CG-CD1 3.85Å; L228-L232 HydrophobicContact CG-CG 4.27Å; L228-L232 WeakPolarHBondContact O-CG 2.91Å; L228-L232 PolarHBondContact O-N 3.31Å; L228-L425 HydrophobicContact CD1-CB 4.49Å; L228-L425 HydrophobicContact CD1-CD2 4.31Å; L228-F426 HydrophobicContact CD1-CE2 3.92Å; L228-F426 HydrophobicContact CD1-CZ 3.73Å; L228-F426 HydrophobicContact CD2-CE1 4.15Å; L228-F426 HydrophobicContact CD2-CZ 3.86Å; L228-F426 HydrophobicContact CG-CZ 4.48Å |
| 229 | F | 89.5 | Confident | 81.5 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 2% | 0.022 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.7 | -32.6 | -175.4 | -73.8 | -72.6 | 0 | 0 | 0 | 113.3 | I94 L124 I125 D128 R135 F136 I139 N227 I231 L232 W233 | I94-F229 HydrophobicContact CD1-CE1 4.23Å; I94-F229 HydrophobicContact CD1-CZ 3.9Å; L124-F229 HydrophobicContact CB-CD2 3.88Å; L124-F229 HydrophobicContact CB-CE2 3.75Å; I125-F229 HydrophobicContact CB-CE2 4.33Å; I125-F229 HydrophobicContact CB-CZ 4.47Å; I125-F229 HydrophobicContact CD1-CE2 4.44Å; I125-F229 HydrophobicContact CD1-CZ 3.93Å; I125-F229 HydrophobicContact CG1-CD2 4.41Å; I125-F229 HydrophobicContact CG1-CE1 4.11Å; I125-F229 HydrophobicContact CG1-CE2 3.4Å; I125-F229 HydrophobicContact CG1-CZ 3.21Å; D128-F229 HydrophobicContact CB-CB 4.19Å; D128-F229 HydrophobicContact CB-CD2 4.44Å; D128-F229 HydrophobicContact CB-CG 4.37Å; D128-F229 WeakPolarHBondContact OD1-CB 3.35Å; R135-F229 PolarHBondContact NH2-O 2.83Å; F136-F229 AromaticContact CE2-CD1 3.99Å; F136-F229 HydrophobicContact CE2-CD1 3.99Å; F136-F229 HydrophobicContact CZ-CD1 4.34Å; I139-F229 HydrophobicContact CD1-CD1 4.15Å; I139-F229 HydrophobicContact CD1-CE1 3.74Å; I139-F229 HydrophobicContact CD1-CZ 4.36Å; I139-F229 HydrophobicContact CG2-CE1 4.47Å; N227-F229 PolarHBondContact O-N 2.84Å; F229-I231 VanDerWaalsContact C-N 3.3Å; F229-I231 PolarHBondContact O-N 2.71Å; F229-L232 HydrophobicContact CD1-CD1 4.12Å; F229-L232 HydrophobicContact CE1-CD1 4.22Å; F229-L232 PolarHBondContact O-N 2.93Å; F229-W233 WeakPolarHBondContact O-CB 3.35Å; F229-W233 PolarHBondContact O-N 3.38Å |
| 230 | D | 87.1 | Confident | 80.6 | Confident | 52 Ų | 52 | 33.9 Ų | 33.9 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63 | -39.6 | 174.2 | -82.1 | -22.2 | 0 | 0 | 0 | 111.7 | Y132 R135 N227 L228 R234 | Y132-D230 WeakPolarHBondContact CE2-OD1 3.27Å; Y132-D230 VanDerWaalsContact CZ-OD1 3.24Å; Y132-D230 VanDerWaalsContact OH-CG 3.31Å; Y132-D230 PolarHBondContact OH-OD1 2.96Å; Y132-D230 VanDerWaalsContact OH-OD1 3.07Å; Y132-D230 PolarHBondContact OH-OD2 3.31Å; R135-D230 IonicContact CZ-OD1 3.39Å; R135-D230 IonicContact NH1-OD1 3.03Å; R135-D230 PolarHBondContact NH1-OD1 2.02Å; R135-D230 VanDerWaalsContact NH2-CA 3.34Å; R135-D230 VanDerWaalsContact NH2-N 3.16Å; R135-D230 IonicContact NH2-OD1 3.09Å; R135-D230 PolarHBondContact NH2-OD1 3.27Å; N227-D230 PolarHBondContact O-N 3.44Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 3.43Å; D230-R234 WeakPolarHBondContact O-CB 3.24Å; D230-R234 PolarHBondContact O-N 3.09Å; D230-R234 VanDerWaalsContact O-N 3.07Å |
| 231 | I | 83.4 | Confident | 79.1 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.9 | -45.6 | 177 | -66 | 170.3 | 0 | 0 | 0 | 110.7 | N227 L228 F229 W233 R234 L235 Y422 L425 | N227-I231 VanDerWaalsContact ND2-CD1 3.35Å; N227-I231 WeakPolarHBondContact ND2-CD1 2.98Å; N227-I231 PolarHBondContact O-N 3.11Å; L228-I231 PolarHBondContact O-N 3.37Å; F229-I231 VanDerWaalsContact C-N 3.3Å; F229-I231 PolarHBondContact O-N 2.71Å; I231-W233 VanDerWaalsContact C-N 3.33Å; I231-W233 PolarHBondContact O-N 2.84Å; I231-R234 PolarHBondContact O-N 2.99Å; I231-L235 HydrophobicContact CG2-CD1 3.92Å; I231-L235 HydrophobicContact CG2-CG 4.44Å; I231-L235 WeakPolarHBondContact O-CB 3.45Å; I231-L235 WeakPolarHBondContact O-CG 3.27Å; I231-L235 PolarHBondContact O-N 2.48Å; I231-Y422 HydrophobicContact CG2-CD1 3.83Å; I231-Y422 HydrophobicContact CG2-CE1 3.7Å; I231-L425 HydrophobicContact CB-CD2 4.05Å; I231-L425 HydrophobicContact CD1-CD2 3.32Å; I231-L425 HydrophobicContact CG1-CD2 4.25Å; I231-L425 HydrophobicContact CG2-CD1 4.15Å; I231-L425 HydrophobicContact CG2-CD2 4.01Å |
| 232 | L | 87.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 175.9 | -69.9 | 176.7 | 0 | 0 | 0 | 111.6 | I92 L216 L228 F229 L235 I236 L253 L368 | I92-L232 HydrophobicContact CD1-CB 4.46Å; I92-L232 HydrophobicContact CD1-CD1 4.36Å; L216-L232 HydrophobicContact CD2-CD1 4.28Å; L228-L232 HydrophobicContact CD1-CD1 4.01Å; L228-L232 HydrophobicContact CD1-CG 4.06Å; L228-L232 HydrophobicContact CD2-CD1 4.34Å; L228-L232 HydrophobicContact CG-CD1 3.85Å; L228-L232 HydrophobicContact CG-CG 4.27Å; L228-L232 WeakPolarHBondContact O-CG 2.91Å; L228-L232 PolarHBondContact O-N 3.31Å; F229-L232 HydrophobicContact CD1-CD1 4.12Å; F229-L232 HydrophobicContact CE1-CD1 4.22Å; F229-L232 PolarHBondContact O-N 2.93Å; L232-L235 WeakPolarHBondContact O-CB 3.28Å; L232-L235 PolarHBondContact O-N 2.86Å; L232-I236 WeakPolarHBondContact O-CB 3.12Å; L232-I236 WeakPolarHBondContact O-CD1 2.85Å; L232-I236 VanDerWaalsContact O-CG1 3.24Å; L232-I236 WeakPolarHBondContact O-CG1 3.35Å; L232-I236 PolarHBondContact O-N 3.37Å; L232-L253 HydrophobicContact CD2-CD1 4.23Å; L232-L368 HydrophobicContact CD2-CD1 4.22Å; L232-L368 HydrophobicContact CD2-CD2 3.97Å |
| 233 | W | 87.6 | Confident | 75.9 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 178.1 | -179.8 | -110.1 | 0 | 0 | 0 | 111.7 | R135 F136 F229 I231 L235 I236 M237 | R135-W233 HydrophobicContact CB-CD2 4.41Å; R135-W233 HydrophobicContact CB-CE3 4.27Å; R135-W233 HydrophobicContact CB-CH2 3.84Å; R135-W233 HydrophobicContact CB-CZ2 3.98Å; R135-W233 HydrophobicContact CB-CZ3 4Å; R135-W233 HydrophobicContact CG-CD2 4.1Å; R135-W233 HydrophobicContact CG-CE3 3.94Å; R135-W233 HydrophobicContact CG-CH2 4.42Å; R135-W233 HydrophobicContact CG-CZ3 4.12Å; R135-W233 WeakPolarHBondContact O-CH2 3.39Å; R135-W233 WeakPolarHBondContact O-CZ3 3.43Å; F136-W233 HydrophobicContact CD1-CE3 4.01Å; F136-W233 HydrophobicContact CD1-CZ3 4.13Å; F136-W233 AromaticContact CE1-CE3 3.53Å; F136-W233 HydrophobicContact CE1-CE3 3.53Å; F136-W233 HydrophobicContact CE1-CZ3 4.11Å; F136-W233 HydrophobicContact CE2-CE3 4.28Å; F136-W233 HydrophobicContact CZ-CB 3.98Å; F136-W233 HydrophobicContact CZ-CD2 4.46Å; F136-W233 AromaticContact CZ-CE3 3.7Å; F136-W233 HydrophobicContact CZ-CE3 3.7Å; F229-W233 WeakPolarHBondContact O-CB 3.35Å; F229-W233 PolarHBondContact O-N 3.38Å; I231-W233 VanDerWaalsContact C-N 3.33Å; I231-W233 PolarHBondContact O-N 2.84Å; W233-L235 VanDerWaalsContact C-N 3.32Å; W233-L235 PolarHBondContact O-N 3.33Å; W233-I236 PolarHBondContact O-N 3.18Å; W233-M237 HydrophobicContact CD2-CG 3.96Å; W233-M237 HydrophobicContact CE3-CG 4.41Å; W233-M237 HydrophobicContact CG-CG 4.48Å; W233-M237 HydrophobicContact CH2-CE 3.49Å; W233-M237 VanDerWaalsContact CH2-CE 3.49Å; W233-M237 HydrophobicContact CH2-CG 4.23Å; W233-M237 HydrophobicContact CH2-SD 4.31Å; W233-M237 HydrophobicContact CZ2-CE 3.16Å; W233-M237 HydrophobicContact CZ2-CG 3.76Å; W233-M237 HydrophobicContact CZ2-SD 4.14Å; W233-M237 WeakPolarHBondContact O-CB 3.24Å; W233-M237 PolarHBondContact O-N 3.1Å |
| 234 | R | 82.7 | Confident | 74 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 178.3 | -171.3 | -175.8 | 65.4 | -152 | -14.7 | 111.5 | D230 I231 M237 Q238 D347 | D230-R234 WeakPolarHBondContact O-CB 3.24Å; D230-R234 PolarHBondContact O-N 3.09Å; D230-R234 VanDerWaalsContact O-N 3.07Å; I231-R234 PolarHBondContact O-N 2.99Å; R234-M237 PolarHBondContact O-N 3.33Å; R234-Q238 HydrophobicContact CG-CG 4.32Å; R234-Q238 WeakPolarHBondContact O-CB 3.39Å; R234-Q238 VanDerWaalsContact O-CG 3.28Å; R234-Q238 WeakPolarHBondContact O-CG 3.44Å; R234-Q238 PolarHBondContact O-N 2.96Å; R234-D347 IonicContact CZ-OD1 3.18Å; R234-D347 IonicContact CZ-OD2 3Å; R234-D347 IonicContact NH1-OD2 3.1Å; R234-D347 PolarHBondContact NH1-OD2 3.4Å; R234-D347 IonicContact NH2-OD1 3.67Å; R234-D347 PolarHBondContact NH2-OD1 3.18Å; R234-D347 IonicContact NH2-OD2 2.67Å; R234-D347 PolarHBondContact NH2-OD2 3.29Å |
| 235 | L | 78.3 | Confident | 71.9 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 176.7 | -87 | 170.5 | 0 | 0 | 0 | 112.4 | I231 L232 W233 I251 Y422 | I231-L235 HydrophobicContact CG2-CD1 3.92Å; I231-L235 HydrophobicContact CG2-CG 4.44Å; I231-L235 WeakPolarHBondContact O-CB 3.45Å; I231-L235 WeakPolarHBondContact O-CG 3.27Å; I231-L235 PolarHBondContact O-N 2.48Å; L232-L235 WeakPolarHBondContact O-CB 3.28Å; L232-L235 PolarHBondContact O-N 2.86Å; W233-L235 VanDerWaalsContact C-N 3.32Å; W233-L235 PolarHBondContact O-N 3.33Å; L235-I251 HydrophobicContact CB-CD1 4.28Å; L235-I251 HydrophobicContact CD1-CD1 3.83Å; L235-I251 HydrophobicContact CD1-CG2 4.43Å; L235-I251 HydrophobicContact CD2-CD1 3.73Å; L235-I251 HydrophobicContact CG-CD1 4.17Å; L235-Y422 HydrophobicContact CD1-CD2 4.07Å; L235-Y422 HydrophobicContact CD1-CE1 4.5Å; L235-Y422 HydrophobicContact CD1-CE2 3.73Å; L235-Y422 HydrophobicContact CD2-CD2 4.34Å; L235-Y422 HydrophobicContact CD2-CE2 3.31Å; L235-Y422 WeakPolarHBondContact CD2-OH 3.2Å; L235-Y422 HydrophobicContact CG-CE2 3.88Å |
| 236 | I | 81.7 | Confident | 70.1 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.5 | -40.7 | -178.8 | -68.9 | 167.2 | 0 | 0 | 0 | 110.8 | H90 I92 F136 Y214 L232 W233 Q239 S240 | H90-I236 HydrophobicContact CB-CG2 3.66Å; H90-I236 WeakPolarHBondContact CD2-CG2 3.2Å; I92-I236 HydrophobicContact CD1-CD1 3.65Å; I92-I236 HydrophobicContact CG1-CD1 4.07Å; F136-I236 HydrophobicContact CE1-CD1 4.09Å; Y214-I236 HydrophobicContact CD2-CD1 3.89Å; Y214-I236 HydrophobicContact CD2-CG1 3.9Å; Y214-I236 HydrophobicContact CD2-CG2 4.33Å; Y214-I236 HydrophobicContact CE2-CB 4.34Å; Y214-I236 HydrophobicContact CE2-CD1 4.29Å; Y214-I236 HydrophobicContact CE2-CG1 3.81Å; Y214-I236 HydrophobicContact CE2-CG2 3.79Å; Y214-I236 HydrophobicContact CG-CD1 4.28Å; Y214-I236 HydrophobicContact CG-CG1 4.34Å; L232-I236 WeakPolarHBondContact O-CB 3.12Å; L232-I236 WeakPolarHBondContact O-CD1 2.85Å; L232-I236 VanDerWaalsContact O-CG1 3.24Å; L232-I236 WeakPolarHBondContact O-CG1 3.35Å; L232-I236 PolarHBondContact O-N 3.37Å; W233-I236 PolarHBondContact O-N 3.18Å; I236-Q239 WeakPolarHBondContact O-CB 3.5Å; I236-Q239 PolarHBondContact O-N 2.89Å; I236-S240 PolarHBondContact O-N 2.66Å |
| 237 | M | 79.2 | Confident | 68.6 | Low | 72 Ų | 72 | 74.4 Ų | 74.4 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.1 | -34.1 | -179.3 | -79.7 | -60.3 | -140.6 | 0 | 0 | 114.3 | W233 R234 Q239 S240 M241 | W233-M237 HydrophobicContact CD2-CG 3.96Å; W233-M237 HydrophobicContact CE3-CG 4.41Å; W233-M237 HydrophobicContact CG-CG 4.48Å; W233-M237 HydrophobicContact CH2-CE 3.49Å; W233-M237 VanDerWaalsContact CH2-CE 3.49Å; W233-M237 HydrophobicContact CH2-CG 4.23Å; W233-M237 HydrophobicContact CH2-SD 4.31Å; W233-M237 HydrophobicContact CZ2-CE 3.16Å; W233-M237 HydrophobicContact CZ2-CG 3.76Å; W233-M237 HydrophobicContact CZ2-SD 4.14Å; W233-M237 WeakPolarHBondContact O-CB 3.24Å; W233-M237 PolarHBondContact O-N 3.1Å; R234-M237 PolarHBondContact O-N 3.33Å; M237-Q239 PolarHBondContact O-N 3.18Å; M237-Q239 VanDerWaalsContact O-N 3.16Å; M237-S240 PolarHBondContact O-N 3.12Å; M237-S240 PolarHBondContact O-OG 2.88Å; M237-S240 PolarHBondContact SD-OG 3.26Å; M237-M241 PolarHBondContact O-N 3.25Å |
| 238 | Q | 70.6 | Confident | 67.3 | Low | 90 Ų | 90 | 72.4 Ų | 72.4 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.2 | -30 | 173 | -81.8 | 176.2 | -19.8 | 0 | 0 | 111.5 | R234 H242 | R234-Q238 HydrophobicContact CG-CG 4.32Å; R234-Q238 WeakPolarHBondContact O-CB 3.39Å; R234-Q238 VanDerWaalsContact O-CG 3.28Å; R234-Q238 WeakPolarHBondContact O-CG 3.44Å; R234-Q238 PolarHBondContact O-N 2.96Å; Q238-H242 PolarHBondContact O-CD2 3.23Å; Q238-H242 VanDerWaalsContact O-CD2 3.23Å; Q238-H242 PolarHBondContact O-N 3.36Å |
| 239 | Q | 61.8 | Low | 65.9 | Low | 38 Ų | 38 | 72.6 Ų | 72.6 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -79.7 | -40.7 | 177.7 | -80.8 | -124.9 | -41.3 | 0 | 0 | 114.7 | Y214 I236 M237 M241 H242 H246 L248 | Y214-Q239 PolarHBondContact OH-OE1 2.86Å; I236-Q239 WeakPolarHBondContact O-CB 3.5Å; I236-Q239 PolarHBondContact O-N 2.89Å; M237-Q239 PolarHBondContact O-N 3.18Å; M237-Q239 VanDerWaalsContact O-N 3.16Å; Q239-M241 PolarHBondContact O-N 3.17Å; Q239-M241 VanDerWaalsContact O-N 3.17Å; Q239-H242 CarbonylContact O-C 3.54Å; Q239-H242 PolarHBondContact O-N 3.21Å; Q239-H246 PolarHBondContact NE2-O 3.16Å; Q239-L248 HydrophobicContact CB-CD1 4.39Å; Q239-L248 HydrophobicContact CG-CB 4.43Å; Q239-L248 HydrophobicContact CG-CD1 3.47Å; Q239-L248 VanDerWaalsContact CG-CD1 3.47Å; Q239-L248 HydrophobicContact CG-CG 3.71Å; Q239-L248 VanDerWaalsContact NE2-CA 3.31Å; Q239-L248 VanDerWaalsContact NE2-CG 3.29Å; Q239-L248 VanDerWaalsContact NE2-N 3.16Å; Q239-L248 VanDerWaalsContact OE1-CG 3.24Å |
| 240 | S | 61.9 | Low | 65.1 | Low | 42 Ų | 42 | 72.3 Ų | 72.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -29 | 179.1 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | I236 M237 H243 | I236-S240 PolarHBondContact O-N 2.66Å; M237-S240 PolarHBondContact O-N 3.12Å; M237-S240 PolarHBondContact O-OG 2.88Å; M237-S240 PolarHBondContact SD-OG 3.26Å; S240-H243 PolarHBondContact O-CE1 2.82Å; S240-H243 PolarHBondContact O-ND1 3.45Å; S240-H243 VanDerWaalsContact O-ND1 3.08Å |
| 241 | M | 50.4 | Low | 64.4 | Low | 162 Ų | 162 | 69.9 Ų | 69.9 | 80% | 0.798 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -79 | -28.6 | 174.7 | -64.5 | -137.8 | 170.8 | 0 | 0 | 114.4 | M237 Q239 H243 | M237-M241 PolarHBondContact O-N 3.25Å; Q239-M241 PolarHBondContact O-N 3.17Å; Q239-M241 VanDerWaalsContact O-N 3.17Å; M241-H243 PolarHBondContact O-N 3.04Å |
| 242 | H | 48.7 | Very low | 63.9 | Low | 156 Ų | 156 | 70 Ų | 70 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -85.4 | 68.5 | 172.7 | -74.6 | -57.5 | 0 | 0 | 0 | 110.6 | Q238 Q239 Y244 | Q238-H242 PolarHBondContact O-CD2 3.23Å; Q238-H242 VanDerWaalsContact O-CD2 3.23Å; Q238-H242 PolarHBondContact O-N 3.36Å; Q239-H242 CarbonylContact O-C 3.54Å; Q239-H242 PolarHBondContact O-N 3.21Å; H242-Y244 PolarHBondContact O-N 2.92Å |
| 243 | H | 39.6 | Very low | 63 | Low | 146 Ų | 146 | 70 Ų | 70 | 68% | 0.676 | 33% | 0.325 | S | S | * | . | trans | -55.3 | 101.6 | 160.1 | -76.6 | 9 | 0 | 0 | 0 | 108.7 | S240 M241 | S240-H243 PolarHBondContact O-CE1 2.82Å; S240-H243 PolarHBondContact O-ND1 3.45Å; S240-H243 VanDerWaalsContact O-ND1 3.08Å; M241-H243 PolarHBondContact O-N 3.04Å | ||
| 244 | Y | 39.6 | Very low | 62 | Low | 201 Ų | 201 | 68.1 Ų | 68.1 | 79% | 0.788 | 32% | 0.318 | S | S | * | . | S | Bend | 166.6 | -22.6 | 116.6 | -95.9 | -77.2 | 0 | 0 | 0 | 117.9 | H242 | H242-Y244 PolarHBondContact O-N 2.92Š| |
| 245 | D | 41.6 | Very low | 60.8 | Low | 147 Ų | 147 | 64.8 Ų | 64.8 | 79% | 0.786 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -137.9 | -4 | -172.1 | -82.5 | -42.6 | 0 | 0 | 0 | 117.7 | ||
| 246 | H | 45.1 | Very low | 59.6 | Low | 106 Ų | 106 | 64.7 Ų | 64.7 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | trans | -131.8 | 80.3 | -174.7 | -59.9 | -45.2 | 0 | 0 | 0 | 112.6 | Q239 L248 F419 | Q239-H246 PolarHBondContact NE2-O 3.16Å; H246-L248 PolarHBondContact O-N 3.3Å; H246-F419 HydrophobicContact CB-CE2 3.74Å; H246-F419 HydrophobicContact CB-CZ 3.42Å; H246-F419 VanDerWaalsContact CB-CZ 3.42Å | ||
| 247 | K | 51.9 | Low | 58.2 | Low | 147 Ų | 147 | 70.3 Ų | 70.3 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | trans | -50.3 | 130.5 | 163.5 | -85.4 | -178.2 | 169.5 | 178.8 | 0 | 108.5 | G249 E372 | K247-G249 PolarHBondContact O-N 2.98Å; K247-G249 VanDerWaalsContact O-N 3.09Å; K247-E372 IonicContact NZ-OE1 2.69Å; K247-E372 PolarHBondContact NZ-OE1 3.36Å; K247-E372 VanDerWaalsContact NZ-OE1 3.1Å; K247-E372 IonicContact NZ-OE2 3.63Å; K247-E372 PolarHBondContact NZ-OE2 3.44Å | ||
| 248 | L | 55.1 | Low | 56.7 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | trans | -47.9 | 122 | 179 | -119.5 | 160.1 | 0 | 0 | 0 | 109.3 | Y214 Q239 H246 I251 P370 F419 | Y214-L248 HydrophobicContact CE1-CB 4.18Å; Y214-L248 HydrophobicContact CE1-CD1 3.82Å; Q239-L248 HydrophobicContact CB-CD1 4.39Å; Q239-L248 HydrophobicContact CG-CB 4.43Å; Q239-L248 HydrophobicContact CG-CD1 3.47Å; Q239-L248 VanDerWaalsContact CG-CD1 3.47Å; Q239-L248 HydrophobicContact CG-CG 3.71Å; Q239-L248 VanDerWaalsContact NE2-CA 3.31Å; Q239-L248 VanDerWaalsContact NE2-CG 3.29Å; Q239-L248 VanDerWaalsContact NE2-N 3.16Å; Q239-L248 VanDerWaalsContact OE1-CG 3.24Å; H246-L248 PolarHBondContact O-N 3.3Å; L248-I251 HydrophobicContact CD1-CD1 3.94Å; L248-I251 HydrophobicContact CD2-CD1 3.34Å; L248-I251 HydrophobicContact CD2-CG1 3.22Å; L248-I251 HydrophobicContact CG-CD1 4.28Å; L248-I251 HydrophobicContact CG-CG1 4.5Å; L248-P370 HydrophobicContact CB-CG 4.12Å; L248-P370 WeakPolarHBondContact O-CD 3.39Å; L248-P370 WeakPolarHBondContact O-CG 2.72Å; L248-F419 HydrophobicContact CD2-CB 3.63Å; L248-F419 HydrophobicContact CD2-CD1 4.25Å; L248-F419 HydrophobicContact CD2-CG 4.01Å | ||
| 249 | G | 60.6 | Low | 55.7 | Low | 4 Ų | 4 | 65.9 Ų | 65.9 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | trans | -65.4 | 179.3 | 162 | 0 | 0 | 0 | 0 | 0 | 111 | K247 I251 Q417 F419 | K247-G249 PolarHBondContact O-N 2.98Å; K247-G249 VanDerWaalsContact O-N 3.09Å; G249-I251 PolarHBondContact O-N 3.47Å; G249-Q417 WeakPolarHBondContact CA-O 3.23Å; G249-F419 VanDerWaalsContact N-CD2 3.26Å | ||
| 250 | M | 71.9 | Confident | 55.2 | Low | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 134.9 | 168.7 | 173.6 | -167 | 116.5 | 0 | 0 | 108.9 | Q252 P359 I364 N367 Y369 F411 I418 F419 | M250-Q252 HydrophobicContact CE-CB 3.71Å; M250-Q252 HydrophobicContact CE-CG 4.26Å; M250-P359 HydrophobicContact CE-CB 4.41Å; M250-I364 HydrophobicContact CE-CD1 3.92Å; M250-I364 HydrophobicContact SD-CD1 4.45Å; M250-N367 WeakPolarHBondContact CE-ND2 3.27Å; M250-N367 HydrophobicContact CG-CB 4.27Å; M250-N367 PolarHBondContact SD-ND2 3.3Å; M250-Y369 HydrophobicContact CB-CD1 3.7Å; M250-Y369 HydrophobicContact CB-CE1 3.63Å; M250-Y369 HydrophobicContact CG-CD1 3.68Å; M250-Y369 HydrophobicContact CG-CE1 3.24Å; M250-Y369 HydrophobicContact SD-CE1 3.54Å; M250-Y369 VanDerWaalsContact SD-CE1 3.54Å; M250-F411 HydrophobicContact CB-CE1 4.31Å; M250-F411 HydrophobicContact CB-CE2 3.96Å; M250-F411 HydrophobicContact CB-CZ 3.54Å; M250-F411 HydrophobicContact CG-CE2 4.35Å; M250-F411 HydrophobicContact CG-CZ 4.3Å; M250-F411 HydrophobicContact SD-CD2 4.44Å; M250-F411 HydrophobicContact SD-CE2 3.49Å; M250-F411 WeakPolarHBondContact SD-CE2 3.4Å; M250-F411 HydrophobicContact SD-CZ 4.02Å; M250-I418 HydrophobicContact CE-CD1 3.63Å; M250-I418 HydrophobicContact CE-CG1 4.23Å; M250-F419 PolarHBondContact O-N 2.93Å |
| 251 | I | 72.1 | Confident | 54.9 | Low | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120.5 | 167.2 | -46 | -176.7 | 0 | 0 | 0 | 107.8 | L235 L248 G249 L253 N367 L368 T420 Y422 | L235-I251 HydrophobicContact CB-CD1 4.28Å; L235-I251 HydrophobicContact CD1-CD1 3.83Å; L235-I251 HydrophobicContact CD1-CG2 4.43Å; L235-I251 HydrophobicContact CD2-CD1 3.73Å; L235-I251 HydrophobicContact CG-CD1 4.17Å; L248-I251 HydrophobicContact CD1-CD1 3.94Å; L248-I251 HydrophobicContact CD2-CD1 3.34Å; L248-I251 HydrophobicContact CD2-CG1 3.22Å; L248-I251 HydrophobicContact CG-CD1 4.28Å; L248-I251 HydrophobicContact CG-CG1 4.5Å; G249-I251 PolarHBondContact O-N 3.47Å; I251-L253 HydrophobicContact CB-CD2 4.17Å; I251-L253 HydrophobicContact CG2-CD2 3.55Å; I251-N367 VanDerWaalsContact O-CA 3.32Å; I251-N367 WeakPolarHBondContact O-CA 3.46Å; I251-L368 HydrophobicContact CB-CB 4.17Å; I251-L368 HydrophobicContact CD1-CD2 3.93Å; I251-L368 HydrophobicContact CG1-CB 4.48Å; I251-L368 PolarHBondContact N-O 2.93Å; I251-L368 PolarHBondContact O-N 2.87Å; I251-T420 WeakPolarHBondContact CA-O 3.34Å; I251-T420 WeakPolarHBondContact CG2-O 3.3Å; I251-Y422 HydrophobicContact CG2-CD2 3.77Å; I251-Y422 HydrophobicContact CG2-CE2 4.31Å |
| 252 | Q | 72.8 | Confident | 55.1 | Low | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.6 | 171.7 | -171.7 | 169.9 | 3.2 | 0 | 0 | 109.1 | M250 I364 N367 T420 V421 Y422 | M250-Q252 HydrophobicContact CE-CB 3.71Å; M250-Q252 HydrophobicContact CE-CG 4.26Å; Q252-I364 HydrophobicContact CG-CG2 4.15Å; Q252-N367 VanDerWaalsContact CA-OD1 3.32Å; Q252-N367 WeakPolarHBondContact CA-OD1 3.28Å; Q252-T420 PolarHBondContact N-O 2.96Å; Q252-T420 VanDerWaalsContact N-O 3.07Å; Q252-V421 HydrophobicContact CB-CG1 4.26Å; Q252-V421 HydrophobicContact CB-CG2 4.19Å; Q252-V421 HydrophobicContact CG-CG1 4.47Å; Q252-V421 CarbonylContact O-C 3.16Å; Q252-V421 WeakPolarHBondContact O-CA 3.38Å; Q252-Y422 PolarHBondContact O-N 3.43Å |
| 253 | L | 70.5 | Confident | 55.5 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -17.5 | -177.4 | -53.7 | -179.8 | 0 | 0 | 0 | 112.7 | L216 L232 I251 A366 L368 Y422 L425 F426 | L216-L253 HydrophobicContact CD1-CD1 3.46Å; L216-L253 VanDerWaalsContact CD1-CD1 3.46Å; L232-L253 HydrophobicContact CD2-CD1 4.23Å; I251-L253 HydrophobicContact CB-CD2 4.17Å; I251-L253 HydrophobicContact CG2-CD2 3.55Å; L253-A366 WeakPolarHBondContact CA-O 3.35Å; L253-A366 HydrophobicContact CB-CB 4.16Å; L253-A366 WeakPolarHBondContact CB-O 3.23Å; L253-A366 PolarHBondContact N-O 3.39Å; L253-L368 HydrophobicContact CD1-CB 4.25Å; L253-Y422 CarbonylContact C-O 3.52Å; L253-L425 HydrophobicContact CB-CB 4.31Å; L253-L425 HydrophobicContact CB-CD1 3.85Å; L253-L425 HydrophobicContact CD1-CD1 4.4Å; L253-L425 HydrophobicContact CD2-CD1 3.48Å; L253-L425 VanDerWaalsContact CD2-CD1 3.48Å; L253-L425 HydrophobicContact CG-CD1 4.08Å; L253-F426 HydrophobicContact CB-CD2 4.15Å; L253-F426 HydrophobicContact CB-CE2 3.94Å; L253-F426 HydrophobicContact CD1-CE2 3.85Å |
| 254 | Y | 65.9 | Low | 56.6 | Low | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 144 | 176.5 | -170.3 | -96.7 | 0 | 0 | 0 | 113.1 | M222 V259 M365 A366 F426 H428 | M222-Y254 HydrophobicContact CE-CD1 4.15Å; M222-Y254 HydrophobicContact CE-CE1 4.02Å; M222-Y254 HydrophobicContact SD-CD1 3.95Å; M222-Y254 HydrophobicContact SD-CE1 4.28Å; M222-Y254 HydrophobicContact SD-CG 4.32Å; Y254-V259 VanDerWaalsContact OH-CG2 3.24Å; Y254-V259 WeakPolarHBondContact OH-CG2 3.05Å; Y254-M365 HydrophobicContact CD1-CB 3.98Å; Y254-M365 HydrophobicContact CD1-CG 4.36Å; Y254-M365 HydrophobicContact CD1-SD 4.05Å; Y254-M365 HydrophobicContact CE1-SD 3.77Å; Y254-A366 PolarHBondContact N-O 2.81Å; Y254-F426 HydrophobicContact CD2-CB 4.32Å; Y254-F426 WeakPolarHBondContact CD2-O 3.45Å; Y254-F426 WeakPolarHBondContact CE2-O 3.42Å; Y254-F426 HydrophobicContact CG-CB 4.4Å; Y254-H428 HydrophobicContact CE1-CB 4.21Å; Y254-H428 WeakPolarHBondContact OH-CB 3.28Å |
| 255 | S | 56.9 | Low | 57.5 | Low | 15 Ų | 15 | 42.6 Ų | 42.6 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 137.7 | 168.7 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | K257 N258 D362 | S255-K257 VanDerWaalsContact C-N 3.29Å; S255-K257 PolarHBondContact O-N 3.3Å; S255-N258 PolarHBondContact O-ND2 3.23Å; S255-D362 PolarHBondContact OG-O 2.88Å; S255-D362 VanDerWaalsContact OG-O 3.11Å |
| 256 | Y | 54.7 | Low | 58.3 | Low | 6 Ų | 6 | 38.7 Ų | 38.7 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -65.4 | -21.5 | -175.8 | -177.8 | -121.6 | 0 | 0 | 0 | 114.9 | N258 V259 R261 M363 M365 D449 | Y256-N258 PolarHBondContact O-N 3.46Å; Y256-V259 HydrophobicContact CD2-CG2 4.49Å; Y256-V259 PolarHBondContact O-N 3.24Å; Y256-R261 PolarHBondContact OH-NH2 3.35Å; Y256-M363 HydrophobicContact CD1-CE 3.79Å; Y256-M363 HydrophobicContact CD1-CG 4.47Å; Y256-M363 HydrophobicContact CD1-SD 3.55Å; Y256-M363 VanDerWaalsContact CD1-SD 3.55Å; Y256-M363 HydrophobicContact CE1-CE 3.93Å; Y256-M363 HydrophobicContact CE1-SD 4.09Å; Y256-M363 HydrophobicContact CG-SD 4.15Å; Y256-M365 HydrophobicContact CD2-CE 4.26Å; Y256-M365 HydrophobicContact CG-CE 4.27Å; Y256-D449 PolarHBondContact OH-OD1 2.96Å |
| 257 | K | 50.8 | Low | 58.9 | Low | 117 Ų | 117 | 36 Ų | 36 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -71.2 | -8.3 | -178 | -81.5 | -169.1 | 176.9 | 173.2 | 0 | 115.1 | S255 D362 | S255-K257 VanDerWaalsContact C-N 3.29Å; S255-K257 PolarHBondContact O-N 3.3Å; K257-D362 HydrophobicContact CD-CB 3.82Å; K257-D362 WeakPolarHBondContact CD-OD2 3.15Å; K257-D362 VanDerWaalsContact CE-OD1 3.23Å; K257-D362 WeakPolarHBondContact CE-OD1 3.49Å; K257-D362 VanDerWaalsContact CE-OD2 3.28Å; K257-D362 WeakPolarHBondContact CE-OD2 3.49Å; K257-D362 HydrophobicContact CG-CB 4.21Å; K257-D362 IonicContact NZ-OD1 2.81Å; K257-D362 PolarHBondContact NZ-OD1 2.87Å; K257-D362 IonicContact NZ-OD2 3.25Å; K257-D362 PolarHBondContact NZ-OD2 3.31Å |
| 258 | N | 48.7 | Very low | 59.7 | Low | 53 Ų | 53 | 34.7 Ų | 34.7 | 28% | 0.283 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -95.1 | 1.7 | -177.8 | -55.4 | -51.2 | 0 | 0 | 0 | 113.8 | S255 Y256 M423 | S255-N258 PolarHBondContact O-ND2 3.23Å; Y256-N258 PolarHBondContact O-N 3.46Å; N258-M423 HydrophobicContact CB-CE 3.7Å; N258-M423 WeakPolarHBondContact ND2-CE 3.31Å; N258-M423 PolarHBondContact ND2-SD 2.67Å; N258-M423 VanDerWaalsContact OD1-CE 3.27Å; N258-M423 WeakPolarHBondContact OD1-CE 3.38Å |
| 259 | V | 48.2 | Very low | 60.3 | Low | 17 Ų | 17 | 35 Ų | 35 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -78.5 | 126.3 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 109 | Y254 Y256 R261 E451 | Y254-V259 VanDerWaalsContact OH-CG2 3.24Å; Y254-V259 WeakPolarHBondContact OH-CG2 3.05Å; Y256-V259 HydrophobicContact CD2-CG2 4.49Å; Y256-V259 PolarHBondContact O-N 3.24Å; V259-R261 PolarHBondContact O-N 3.29Å; V259-E451 HydrophobicContact CG1-CG 4.38Å; V259-E451 WeakPolarHBondContact CG1-OE1 3.43Å |
| 260 | I | 52.3 | Low | 60.7 | Low | 29 Ų | 29 | 36.3 Ų | 36.3 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | trans | -73.6 | 116.8 | 177.6 | -53.4 | 176 | 0 | 0 | 0 | 108.1 | F262 N330 I333 Q334 | I260-F262 HydrophobicContact CB-CE2 4.23Å; I260-F262 HydrophobicContact CG2-CD2 3.88Å; I260-F262 HydrophobicContact CG2-CE1 4.25Å; I260-F262 HydrophobicContact CG2-CE2 3.15Å; I260-F262 HydrophobicContact CG2-CZ 3.37Å; I260-N330 HydrophobicContact CG2-CB 3.8Å; I260-N330 WeakPolarHBondContact CG2-OD1 3.5Å; I260-I333 HydrophobicContact CD1-CG2 4.35Å; I260-I333 HydrophobicContact CG1-CB 4.44Å; I260-I333 HydrophobicContact CG1-CG2 3.81Å; I260-Q334 HydrophobicContact CD1-CG 4.01Å | ||
| 261 | R | 55.4 | Low | 60.8 | Low | 116 Ų | 116 | 41.6 Ų | 41.6 | 44% | 0.438 | 20% | 0.2 | S | C | . | . | trans | -101.1 | 111.6 | -177.7 | -62.3 | -168.5 | -167.6 | 174.8 | 8.4 | 110.8 | Y256 V259 N330 | Y256-R261 PolarHBondContact OH-NH2 3.35Å; V259-R261 PolarHBondContact O-N 3.29Å; R261-N330 PolarHBondContact N-OD1 3.13Å; R261-N330 PolarHBondContact O-ND2 3.43Å; R261-N330 PolarHBondContact O-OD1 2.95Å | ||
| 262 | F | 54.6 | Low | 61.2 | Low | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -110.9 | 150.4 | 167.3 | -63.2 | -68.8 | 0 | 0 | 0 | 110.5 | I260 F264 R270 F273 Q274 Y326 N330 | I260-F262 HydrophobicContact CB-CE2 4.23Å; I260-F262 HydrophobicContact CG2-CD2 3.88Å; I260-F262 HydrophobicContact CG2-CE1 4.25Å; I260-F262 HydrophobicContact CG2-CE2 3.15Å; I260-F262 HydrophobicContact CG2-CZ 3.37Å; F262-F264 HydrophobicContact CB-CB 4.47Å; F262-F264 HydrophobicContact CB-CD2 3.79Å; F262-F264 HydrophobicContact CB-CE2 4.49Å; F262-F264 HydrophobicContact CG-CD2 4.4Å; F262-F264 PolarHBondContact O-N 3.23Å; F262-R270 HydrophobicContact CB-CG 4.26Å; F262-R270 HydrophobicContact CD2-CB 4.34Å; F262-R270 HydrophobicContact CD2-CG 4.07Å; F262-F273 AromaticContact CD1-CD1 3.68Å; F262-F273 HydrophobicContact CD1-CD1 3.68Å; F262-F273 AromaticContact CD1-CE1 3.58Å; F262-F273 HydrophobicContact CD1-CE1 3.58Å; F262-F273 AromaticContact CE1-CD1 3.67Å; F262-F273 HydrophobicContact CE1-CD1 3.67Å; F262-F273 AromaticContact CE1-CE1 3.5Å; F262-F273 HydrophobicContact CE1-CE1 3.5Å; F262-F273 HydrophobicContact CG-CD1 4.4Å; F262-F273 HydrophobicContact CZ-CD1 4.36Å; F262-Q274 HydrophobicContact CE2-CG 3.83Å; F262-Q274 HydrophobicContact CZ-CG 3.69Å; F262-Y326 HydrophobicContact CE1-CD2 4.25Å; F262-Y326 AromaticContact CE1-CE2 3.96Å; F262-Y326 HydrophobicContact CE1-CE2 3.96Å; F262-Y326 HydrophobicContact CZ-CE1 4.47Å; F262-Y326 AromaticContact CZ-CE2 3.99Å; F262-Y326 HydrophobicContact CZ-CE2 3.99Å; F262-Y326 AromaticContact CZ-CZ 3.86Å; F262-N330 HydrophobicContact CE1-CB 4.25Å; F262-N330 WeakPolarHBondContact CE1-ND2 3.25Å; F262-N330 HydrophobicContact CZ-CB 4.34Å | ||
| 263 | P | 57.4 | Low | 61.7 | Low | 54 Ų | 54 | 45.2 Ų | 45.2 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -68.7 | 1.6 | 171.2 | 31.5 | -36.3 | 0 | 0 | 0 | 112.9 | Y31 N38 | Y31-P263 HydrophobicContact CE2-CG 4.35Å; N38-P263 PolarHBondContact ND2-O 3.19Å |
| 264 | F | 63 | Low | 62.1 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -97.6 | 130.1 | -179.7 | -46.2 | -62.5 | 0 | 0 | 0 | 109.9 | Y31 L34 I35 N38 F262 D269 R270 F273 | Y31-F264 HydrophobicContact CD2-CZ 4.14Å; Y31-F264 HydrophobicContact CE2-CZ 4.17Å; L34-F264 HydrophobicContact CB-CD1 4.01Å; L34-F264 HydrophobicContact CB-CE1 3.4Å; L34-F264 HydrophobicContact CB-CZ 3.86Å; L34-F264 HydrophobicContact CD1-CZ 4.47Å; I35-F264 HydrophobicContact CG1-CE1 3.87Å; I35-F264 HydrophobicContact CG1-CZ 4.42Å; N38-F264 HydrophobicContact CB-CD1 4.17Å; F262-F264 HydrophobicContact CB-CB 4.47Å; F262-F264 HydrophobicContact CB-CD2 3.79Å; F262-F264 HydrophobicContact CB-CE2 4.49Å; F262-F264 HydrophobicContact CG-CD2 4.4Å; F262-F264 PolarHBondContact O-N 3.23Å; F264-D269 HydrophobicContact CB-CB 4.36Å; F264-R270 HydrophobicContact CB-CG 4.06Å; F264-R270 WeakPolarHBondContact O-CG 3.25Å; F264-R270 PolarHBondContact O-NE 2.86Å; F264-R270 PolarHBondContact O-NH2 3.19Å; F264-F273 HydrophobicContact CD2-CB 3.97Å; F264-F273 HydrophobicContact CD2-CD1 4.12Å; F264-F273 HydrophobicContact CD2-CD2 4.24Å; F264-F273 AromaticContact CD2-CG 3.84Å; F264-F273 HydrophobicContact CD2-CG 3.84Å; F264-F273 HydrophobicContact CE2-CB 3.92Å; F264-F273 AromaticContact CE2-CD1 3.69Å; F264-F273 HydrophobicContact CE2-CD1 3.69Å; F264-F273 AromaticContact CE2-CD2 3.34Å; F264-F273 HydrophobicContact CE2-CD2 3.34Å; F264-F273 AromaticContact CE2-CE1 3.99Å; F264-F273 HydrophobicContact CE2-CE1 3.99Å; F264-F273 AromaticContact CE2-CE2 3.65Å; F264-F273 HydrophobicContact CE2-CE2 3.65Å; F264-F273 AromaticContact CE2-CG 3.34Å; F264-F273 HydrophobicContact CE2-CG 3.34Å; F264-F273 AromaticContact CE2-CZ 3.97Å; F264-F273 HydrophobicContact CE2-CZ 3.97Å; F264-F273 AromaticContact CZ-CD2 3.77Å; F264-F273 HydrophobicContact CZ-CD2 3.77Å; F264-F273 AromaticContact CZ-CE2 3.94Å; F264-F273 HydrophobicContact CZ-CE2 3.94Å; F264-F273 HydrophobicContact CZ-CG 4.22Å | ||
| 265 | Y | 57.3 | Low | 63 | Low | 51 Ų | 51 | 53.7 Ų | 53.7 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | trans | -90.5 | -31.4 | -175.1 | -53.1 | -53.8 | 0 | 0 | 0 | 112.2 | N38 F42 P447 | N38-Y265 WeakPolarHBondContact ND2-CD2 3.27Å; N38-Y265 WeakPolarHBondContact ND2-CE2 3.24Å; N38-Y265 PolarHBondContact OD1-N 3.5Å; F42-Y265 HydrophobicContact CB-CD2 4.08Å; F42-Y265 AromaticContact CD2-CD2 3.78Å; F42-Y265 HydrophobicContact CD2-CD2 3.78Å; F42-Y265 HydrophobicContact CD2-CG 4.38Å; F42-Y265 HydrophobicContact CG-CD2 4.2Å; Y265-P447 VanDerWaalsContact CD1-C 3.49Å; Y265-P447 HydrophobicContact CD1-CB 3.41Å; Y265-P447 VanDerWaalsContact CD1-CB 3.41Å; Y265-P447 HydrophobicContact CD1-CG 3.92Å; Y265-P447 WeakPolarHBondContact CD1-O 3.48Å; Y265-P447 HydrophobicContact CD2-CB 4.47Å; Y265-P447 HydrophobicContact CD2-CG 4.49Å; Y265-P447 HydrophobicContact CE1-CB 3.48Å; Y265-P447 VanDerWaalsContact CE1-CB 3.48Å; Y265-P447 HydrophobicContact CE1-CG 3.46Å; Y265-P447 VanDerWaalsContact CE1-CG 3.46Å; Y265-P447 HydrophobicContact CE2-CG 4.13Å; Y265-P447 HydrophobicContact CG-CB 3.94Å; Y265-P447 HydrophobicContact CG-CG 4.4Å | ||
| 266 | H | 59.9 | Low | 64.4 | Low | 64 Ų | 64 | 55 Ų | 55 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -79.4 | 135 | -178.9 | -156.4 | -101.3 | 0 | 0 | 0 | 112.5 | F42 M268 D269 R270 | F42-H266 HydrophobicContact CE2-CB 3.85Å; F42-H266 HydrophobicContact CZ-CB 3.6Å; F42-H266 AromaticContact CZ-CD2 3.84Å; H266-M268 VanDerWaalsContact C-N 3.32Å; H266-M268 VanDerWaalsContact ND1-CB 3.33Å; H266-M268 WeakPolarHBondContact ND1-CB 3.46Å; H266-M268 PolarHBondContact ND1-N 3.32Å; H266-M268 VanDerWaalsContact ND1-N 3.18Å; H266-M268 PolarHBondContact O-N 3.23Å; H266-D269 HydrophobicContact CB-CB 3.96Å; H266-D269 VanDerWaalsContact CB-OD2 3.31Å; H266-D269 WeakPolarHBondContact CB-OD2 3.42Å; H266-D269 PolarHBondContact O-N 2.67Å; H266-D269 VanDerWaalsContact O-N 3.09Å; H266-R270 PolarHBondContact O-N 3.21Å |
| 267 | P | 57.8 | Low | 65.9 | Low | 51 Ų | 51 | 54.7 Ų | 54.7 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 177.6 | 22.3 | -31.9 | 0 | 0 | 0 | 112.6 | D269 R270 Q271 Y452 | P267-D269 VanDerWaalsContact C-N 3.35Å; P267-D269 PolarHBondContact O-N 2.76Å; P267-R270 PolarHBondContact O-N 2.91Å; P267-Q271 WeakPolarHBondContact O-CB 3.41Å; P267-Q271 VanDerWaalsContact O-CG 3.27Å; P267-Q271 WeakPolarHBondContact O-CG 3.13Å; P267-Q271 PolarHBondContact O-N 3.14Å; P267-Y452 HydrophobicContact CG-CD2 4.45Å |
| 268 | M | 67.4 | Low | 67.4 | Low | 119 Ų | 119 | 53 Ų | 53 | 59% | 0.586 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.8 | -36.2 | 175.6 | -61.6 | -71 | -79.4 | 0 | 0 | 112.1 | H266 Q271 L272 | H266-M268 VanDerWaalsContact C-N 3.32Å; H266-M268 VanDerWaalsContact ND1-CB 3.33Å; H266-M268 WeakPolarHBondContact ND1-CB 3.46Å; H266-M268 PolarHBondContact ND1-N 3.32Å; H266-M268 VanDerWaalsContact ND1-N 3.18Å; H266-M268 PolarHBondContact O-N 3.23Å; M268-Q271 PolarHBondContact O-N 3.3Å; M268-L272 WeakPolarHBondContact O-CB 3.36Å; M268-L272 PolarHBondContact O-N 3.45Å |
| 269 | D | 67.9 | Low | 69.3 | Low | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.1 | -36.6 | -179.6 | -61.3 | -20.6 | 0 | 0 | 0 | 109.8 | R41 F264 H266 P267 F273 | R41-D269 IonicContact NH1-OD1 3.12Å; R41-D269 PolarHBondContact NH1-OD1 2.65Å; R41-D269 VanDerWaalsContact NH1-OD1 3.12Å; R41-D269 IonicContact NH1-OD2 3.36Å; R41-D269 PolarHBondContact NH1-OD2 3.3Å; F264-D269 HydrophobicContact CB-CB 4.36Å; H266-D269 HydrophobicContact CB-CB 3.96Å; H266-D269 VanDerWaalsContact CB-OD2 3.31Å; H266-D269 WeakPolarHBondContact CB-OD2 3.42Å; H266-D269 PolarHBondContact O-N 2.67Å; H266-D269 VanDerWaalsContact O-N 3.09Å; P267-D269 VanDerWaalsContact C-N 3.35Å; P267-D269 PolarHBondContact O-N 2.76Å; D269-F273 WeakPolarHBondContact O-CB 3.46Å; D269-F273 PolarHBondContact O-N 2.87Å |
| 270 | R | 68.7 | Low | 71.3 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 169.1 | -70.4 | -177.5 | -176.6 | -178.9 | 4.8 | 111.9 | F262 F264 H266 P267 F273 Q274 A448 | F262-R270 HydrophobicContact CB-CG 4.26Å; F262-R270 HydrophobicContact CD2-CB 4.34Å; F262-R270 HydrophobicContact CD2-CG 4.07Å; F264-R270 HydrophobicContact CB-CG 4.06Å; F264-R270 WeakPolarHBondContact O-CG 3.25Å; F264-R270 PolarHBondContact O-NE 2.86Å; F264-R270 PolarHBondContact O-NH2 3.19Å; H266-R270 PolarHBondContact O-N 3.21Å; P267-R270 PolarHBondContact O-N 2.91Å; R270-F273 WeakPolarHBondContact O-CB 3.49Å; R270-F273 PolarHBondContact O-N 3.46Å; R270-Q274 WeakPolarHBondContact O-CB 3.35Å; R270-Q274 VanDerWaalsContact O-CG 3.3Å; R270-Q274 WeakPolarHBondContact O-CG 3.44Å; R270-Q274 PolarHBondContact O-N 3.48Å; R270-A448 PolarHBondContact NH2-O 3.34Å |
| 271 | Q | 74.2 | Confident | 72.9 | Confident | 112 Ų | 112 | 52.5 Ų | 52.5 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 179.5 | -75.8 | 175.5 | 2 | 0 | 0 | 111.6 | P267 M268 Q274 F275 | P267-Q271 WeakPolarHBondContact O-CB 3.41Å; P267-Q271 VanDerWaalsContact O-CG 3.27Å; P267-Q271 WeakPolarHBondContact O-CG 3.13Å; P267-Q271 PolarHBondContact O-N 3.14Å; M268-Q271 PolarHBondContact O-N 3.3Å; Q271-Q274 PolarHBondContact O-N 2.98Å; Q271-F275 VanDerWaalsContact O-CB 3.27Å; Q271-F275 WeakPolarHBondContact O-CB 3.2Å; Q271-F275 PolarHBondContact O-N 3.33Å |
| 272 | L | 81 | Confident | 74.6 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 177.5 | -169.3 | 130.9 | 0 | 0 | 0 | 110.8 | L34 M268 F275 I276 | L34-L272 HydrophobicContact CD2-CD2 4.02Å; M268-L272 WeakPolarHBondContact O-CB 3.36Å; M268-L272 PolarHBondContact O-N 3.45Å; L272-F275 PolarHBondContact O-N 3.42Å; L272-I276 HydrophobicContact CD2-CD1 3.41Å; L272-I276 VanDerWaalsContact CD2-CD1 3.41Å; L272-I276 HydrophobicContact CG-CD1 3.89Å; L272-I276 WeakPolarHBondContact O-CB 3.45Å; L272-I276 WeakPolarHBondContact O-CD1 3.48Å; L272-I276 WeakPolarHBondContact O-CG1 3.46Å; L272-I276 PolarHBondContact O-N 3.36Å |
| 273 | F | 83.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58 | -51.3 | 172.1 | 179.2 | -104.7 | 0 | 0 | 0 | 111.6 | Y31 L34 F262 F264 D269 R270 F275 I276 F277 Y326 | Y31-F273 AromaticContact CD2-CE2 3.77Å; Y31-F273 HydrophobicContact CD2-CE2 3.77Å; Y31-F273 HydrophobicContact CD2-CZ 4.08Å; Y31-F273 HydrophobicContact CE2-CE2 4.47Å; Y31-F273 HydrophobicContact CE2-CZ 4.44Å; L34-F273 HydrophobicContact CD1-CB 4.03Å; L34-F273 HydrophobicContact CD1-CD2 3.65Å; L34-F273 HydrophobicContact CD1-CG 4.35Å; F262-F273 AromaticContact CD1-CD1 3.68Å; F262-F273 HydrophobicContact CD1-CD1 3.68Å; F262-F273 AromaticContact CD1-CE1 3.58Å; F262-F273 HydrophobicContact CD1-CE1 3.58Å; F262-F273 AromaticContact CE1-CD1 3.67Å; F262-F273 HydrophobicContact CE1-CD1 3.67Å; F262-F273 AromaticContact CE1-CE1 3.5Å; F262-F273 HydrophobicContact CE1-CE1 3.5Å; F262-F273 HydrophobicContact CG-CD1 4.4Å; F262-F273 HydrophobicContact CZ-CD1 4.36Å; F264-F273 HydrophobicContact CD2-CB 3.97Å; F264-F273 HydrophobicContact CD2-CD1 4.12Å; F264-F273 HydrophobicContact CD2-CD2 4.24Å; F264-F273 AromaticContact CD2-CG 3.84Å; F264-F273 HydrophobicContact CD2-CG 3.84Å; F264-F273 HydrophobicContact CE2-CB 3.92Å; F264-F273 AromaticContact CE2-CD1 3.69Å; F264-F273 HydrophobicContact CE2-CD1 3.69Å; F264-F273 AromaticContact CE2-CD2 3.34Å; F264-F273 HydrophobicContact CE2-CD2 3.34Å; F264-F273 AromaticContact CE2-CE1 3.99Å; F264-F273 HydrophobicContact CE2-CE1 3.99Å; F264-F273 AromaticContact CE2-CE2 3.65Å; F264-F273 HydrophobicContact CE2-CE2 3.65Å; F264-F273 AromaticContact CE2-CG 3.34Å; F264-F273 HydrophobicContact CE2-CG 3.34Å; F264-F273 AromaticContact CE2-CZ 3.97Å; F264-F273 HydrophobicContact CE2-CZ 3.97Å; F264-F273 AromaticContact CZ-CD2 3.77Å; F264-F273 HydrophobicContact CZ-CD2 3.77Å; F264-F273 AromaticContact CZ-CE2 3.94Å; F264-F273 HydrophobicContact CZ-CE2 3.94Å; F264-F273 HydrophobicContact CZ-CG 4.22Å; D269-F273 WeakPolarHBondContact O-CB 3.46Å; D269-F273 PolarHBondContact O-N 2.87Å; R270-F273 WeakPolarHBondContact O-CB 3.49Å; R270-F273 PolarHBondContact O-N 3.46Å; F273-F275 PolarHBondContact O-N 3.17Å; F273-I276 PolarHBondContact O-N 3.42Å; F273-F277 AromaticContact CD2-CD2 3.7Å; F273-F277 HydrophobicContact CD2-CD2 3.7Å; F273-F277 AromaticContact CD2-CE2 3.87Å; F273-F277 HydrophobicContact CD2-CE2 3.87Å; F273-F277 HydrophobicContact CE1-CD2 4.32Å; F273-F277 HydrophobicContact CE1-CG 4.46Å; F273-F277 AromaticContact CE2-CD2 3.28Å; F273-F277 HydrophobicContact CE2-CD2 3.28Å; F273-F277 AromaticContact CE2-CE2 3.14Å; F273-F277 HydrophobicContact CE2-CE2 3.14Å; F273-F277 HydrophobicContact CE2-CG 4.12Å; F273-F277 AromaticContact CE2-CZ 3.88Å; F273-F277 HydrophobicContact CE2-CZ 3.88Å; F273-F277 HydrophobicContact CG-CD2 4.4Å; F273-F277 HydrophobicContact CZ-CD1 4.37Å; F273-F277 AromaticContact CZ-CD2 3.64Å; F273-F277 HydrophobicContact CZ-CD2 3.64Å; F273-F277 HydrophobicContact CZ-CE1 4.41Å; F273-F277 AromaticContact CZ-CE2 3.69Å; F273-F277 HydrophobicContact CZ-CE2 3.69Å; F273-F277 HydrophobicContact CZ-CG 4.01Å; F273-F277 HydrophobicContact CZ-CZ 4.08Å; F273-F277 WeakPolarHBondContact O-CB 3.31Å; F273-F277 PolarHBondContact O-N 3.08Å; F273-Y326 HydrophobicContact CD1-CD2 4.41Å; F273-Y326 HydrophobicContact CD1-CE2 4.49Å; F273-Y326 AromaticContact CE1-CD2 3.7Å; F273-Y326 HydrophobicContact CE1-CD2 3.7Å; F273-Y326 HydrophobicContact CE1-CE2 4.18Å; F273-Y326 HydrophobicContact CZ-CD2 4.34Å |
| 274 | Q | 80 | Confident | 77.8 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 178.4 | -77.1 | -179.2 | -18.1 | 0 | 0 | 111.7 | F262 R270 Q271 F277 T278 Y326 | F262-Q274 HydrophobicContact CE2-CG 3.83Å; F262-Q274 HydrophobicContact CZ-CG 3.69Å; R270-Q274 WeakPolarHBondContact O-CB 3.35Å; R270-Q274 VanDerWaalsContact O-CG 3.3Å; R270-Q274 WeakPolarHBondContact O-CG 3.44Å; R270-Q274 PolarHBondContact O-N 3.48Å; Q271-Q274 PolarHBondContact O-N 2.98Å; Q274-F277 PolarHBondContact O-N 3.24Å; Q274-T278 VanDerWaalsContact O-CB 3.3Å; Q274-T278 WeakPolarHBondContact O-CB 3.41Å; Q274-T278 PolarHBondContact O-N 3.24Å; Q274-T278 PolarHBondContact O-OG1 2.93Å; Q274-Y326 HydrophobicContact CG-CE2 4.24Å |
| 275 | F | 83.6 | Confident | 79.2 | Confident | 142 Ų | 142 | 58.6 Ų | 58.6 | 62% | 0.623 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.8 | -50.1 | 179.3 | 179.1 | -101.3 | 0 | 0 | 0 | 111.2 | Q271 L272 F273 F277 T278 C279 | Q271-F275 VanDerWaalsContact O-CB 3.27Å; Q271-F275 WeakPolarHBondContact O-CB 3.2Å; Q271-F275 PolarHBondContact O-N 3.33Å; L272-F275 PolarHBondContact O-N 3.42Å; F273-F275 PolarHBondContact O-N 3.17Å; F275-F277 PolarHBondContact O-N 2.73Å; F275-T278 PolarHBondContact O-N 3.01Å; F275-C279 PolarHBondContact O-N 2.99Å; F275-C279 PolarHBondContact O-SG 3.07Å; F275-C279 VanDerWaalsContact O-SG 3.34Å |
| 276 | I | 86.1 | Confident | 80.8 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | -179.4 | -69.1 | 169.1 | 0 | 0 | 0 | 111.3 | I30 L272 F273 T278 C279 L280 | I30-I276 HydrophobicContact CD1-CG2 3.88Å; I30-I276 HydrophobicContact CG2-CD1 4.35Å; I30-I276 HydrophobicContact CG2-CG2 4.12Å; L272-I276 HydrophobicContact CD2-CD1 3.41Å; L272-I276 VanDerWaalsContact CD2-CD1 3.41Å; L272-I276 HydrophobicContact CG-CD1 3.89Å; L272-I276 WeakPolarHBondContact O-CB 3.45Å; L272-I276 WeakPolarHBondContact O-CD1 3.48Å; L272-I276 WeakPolarHBondContact O-CG1 3.46Å; L272-I276 PolarHBondContact O-N 3.36Å; F273-I276 PolarHBondContact O-N 3.42Å; I276-T278 VanDerWaalsContact C-N 3.3Å; I276-T278 PolarHBondContact O-N 3.32Å; I276-C279 WeakPolarHBondContact O-CB 3.41Å; I276-C279 PolarHBondContact O-N 3.29Å; I276-L280 HydrophobicContact CG2-CD1 3.85Å; I276-L280 HydrophobicContact CG2-CG 4.29Å; I276-L280 WeakPolarHBondContact O-CB 3.21Å; I276-L280 WeakPolarHBondContact O-CG 3.35Å; I276-L280 PolarHBondContact O-N 3.45Å |
| 277 | F | 85.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 179.5 | -97.1 | -102.6 | 0 | 0 | 0 | 112.4 | F273 Q274 F275 L280 L281 I322 L325 Y326 | F273-F277 AromaticContact CD2-CD2 3.7Å; F273-F277 HydrophobicContact CD2-CD2 3.7Å; F273-F277 AromaticContact CD2-CE2 3.87Å; F273-F277 HydrophobicContact CD2-CE2 3.87Å; F273-F277 HydrophobicContact CE1-CD2 4.32Å; F273-F277 HydrophobicContact CE1-CG 4.46Å; F273-F277 AromaticContact CE2-CD2 3.28Å; F273-F277 HydrophobicContact CE2-CD2 3.28Å; F273-F277 AromaticContact CE2-CE2 3.14Å; F273-F277 HydrophobicContact CE2-CE2 3.14Å; F273-F277 HydrophobicContact CE2-CG 4.12Å; F273-F277 AromaticContact CE2-CZ 3.88Å; F273-F277 HydrophobicContact CE2-CZ 3.88Å; F273-F277 HydrophobicContact CG-CD2 4.4Å; F273-F277 HydrophobicContact CZ-CD1 4.37Å; F273-F277 AromaticContact CZ-CD2 3.64Å; F273-F277 HydrophobicContact CZ-CD2 3.64Å; F273-F277 HydrophobicContact CZ-CE1 4.41Å; F273-F277 AromaticContact CZ-CE2 3.69Å; F273-F277 HydrophobicContact CZ-CE2 3.69Å; F273-F277 HydrophobicContact CZ-CG 4.01Å; F273-F277 HydrophobicContact CZ-CZ 4.08Å; F273-F277 WeakPolarHBondContact O-CB 3.31Å; F273-F277 PolarHBondContact O-N 3.08Å; Q274-F277 PolarHBondContact O-N 3.24Å; F275-F277 PolarHBondContact O-N 2.73Å; F277-L280 HydrophobicContact CD2-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.25Å; F277-L281 WeakPolarHBondContact O-CB 3.39Å; F277-L281 PolarHBondContact O-N 3.22Å; F277-I322 HydrophobicContact CD1-CG2 3.59Å; F277-I322 HydrophobicContact CE1-CB 4.48Å; F277-I322 HydrophobicContact CE1-CG2 3.85Å; F277-I322 WeakPolarHBondContact CE1-O 3.31Å; F277-L325 HydrophobicContact CE1-CB 3.58Å; F277-L325 HydrophobicContact CE1-CD1 4.27Å; F277-L325 HydrophobicContact CZ-CB 3.62Å; F277-L325 HydrophobicContact CZ-CD1 3.93Å; F277-L325 HydrophobicContact CZ-CG 4.43Å; F277-Y326 HydrophobicContact CB-CD2 3.75Å; F277-Y326 HydrophobicContact CB-CE2 4.24Å; F277-Y326 HydrophobicContact CD1-CD2 4.18Å; F277-Y326 HydrophobicContact CG-CD2 4.1Å |
| 278 | T | 83.9 | Confident | 83.8 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 173.1 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | Q274 F275 I276 L280 L281 F282 | Q274-T278 VanDerWaalsContact O-CB 3.3Å; Q274-T278 WeakPolarHBondContact O-CB 3.41Å; Q274-T278 PolarHBondContact O-N 3.24Å; Q274-T278 PolarHBondContact O-OG1 2.93Å; F275-T278 PolarHBondContact O-N 3.01Å; I276-T278 VanDerWaalsContact C-N 3.3Å; I276-T278 PolarHBondContact O-N 3.32Å; T278-L280 PolarHBondContact O-N 2.94Å; T278-L281 WeakPolarHBondContact O-CB 3.44Å; T278-L281 PolarHBondContact O-N 3.06Å; T278-F282 WeakPolarHBondContact O-CB 3.27Å; T278-F282 PolarHBondContact O-N 3.37Å |
| 279 | C | 88.7 | Confident | 84.9 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 173.7 | -70 | 0 | 0 | 0 | 0 | 112.1 | F275 I276 F282 I283 | F275-C279 PolarHBondContact O-N 2.99Å; F275-C279 PolarHBondContact O-SG 3.07Å; F275-C279 VanDerWaalsContact O-SG 3.34Å; I276-C279 WeakPolarHBondContact O-CB 3.41Å; I276-C279 PolarHBondContact O-N 3.29Å; C279-F282 PolarHBondContact O-N 3.37Å; C279-I283 WeakPolarHBondContact O-CB 3.4Å; C279-I283 WeakPolarHBondContact O-CD1 3.23Å; C279-I283 VanDerWaalsContact O-CG1 3.22Å; C279-I283 WeakPolarHBondContact O-CG1 3.45Å; C279-I283 PolarHBondContact O-N 2.9Å |
| 280 | L | 89 | Confident | 85.8 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.8 | -74.1 | 168.5 | 0 | 0 | 0 | 111.5 | I23 L26 I276 F277 T278 T284 I322 | I23-L280 HydrophobicContact CG2-CD2 4.39Å; L26-L280 HydrophobicContact CD2-CD2 4.24Å; I276-L280 HydrophobicContact CG2-CD1 3.85Å; I276-L280 HydrophobicContact CG2-CG 4.29Å; I276-L280 WeakPolarHBondContact O-CB 3.21Å; I276-L280 WeakPolarHBondContact O-CG 3.35Å; I276-L280 PolarHBondContact O-N 3.45Å; F277-L280 HydrophobicContact CD2-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.25Å; T278-L280 PolarHBondContact O-N 2.94Å; L280-T284 WeakPolarHBondContact O-CB 3.22Å; L280-T284 PolarHBondContact O-N 3.28Å; L280-T284 PolarHBondContact O-OG1 2.59Å; L280-I322 HydrophobicContact CB-CD1 4.47Å |
| 281 | L | 86.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.5 | -51.9 | 171.6 | -89.4 | 164.4 | 0 | 0 | 0 | 110.8 | F277 T278 I283 T284 F285 L319 I322 L331 | F277-L281 WeakPolarHBondContact O-CB 3.39Å; F277-L281 PolarHBondContact O-N 3.22Å; T278-L281 WeakPolarHBondContact O-CB 3.44Å; T278-L281 PolarHBondContact O-N 3.06Å; L281-I283 PolarHBondContact O-N 3.23Å; L281-T284 WeakPolarHBondContact O-CB 2.9Å; L281-T284 PolarHBondContact O-N 3.43Å; L281-T284 VanDerWaalsContact O-N 3.13Å; L281-F285 HydrophobicContact CD2-CE2 4.3Å; L281-F285 VanDerWaalsContact O-CD2 3.25Å; L281-F285 WeakPolarHBondContact O-CD2 3.39Å; L281-F285 PolarHBondContact O-N 3.48Å; L281-L319 HydrophobicContact CD2-CD2 3.49Å; L281-L319 VanDerWaalsContact CD2-CD2 3.49Å; L281-I322 HydrophobicContact CD1-CG2 4.46Å; L281-I322 HydrophobicContact CD2-CG2 4.2Å; L281-I322 HydrophobicContact CG-CG2 3.84Å; L281-L331 HydrophobicContact CD1-CD1 4.03Å |
| 282 | F | 89.7 | Confident | 87.1 | Confident | 139 Ų | 139 | 58.7 Ų | 58.7 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | -177.5 | -165.7 | -109.9 | 0 | 0 | 0 | 112.6 | T278 C279 T284 F285 I286 | T278-F282 WeakPolarHBondContact O-CB 3.27Å; T278-F282 PolarHBondContact O-N 3.37Å; C279-F282 PolarHBondContact O-N 3.37Å; F282-T284 VanDerWaalsContact C-N 3.32Å; F282-T284 PolarHBondContact O-N 2.92Å; F282-F285 PolarHBondContact O-N 3.34Å; F282-I286 HydrophobicContact CD1-CD1 3.44Å; F282-I286 VanDerWaalsContact CD1-CD1 3.44Å; F282-I286 HydrophobicContact CD1-CG1 4.3Å; F282-I286 HydrophobicContact CE1-CD1 3.32Å; F282-I286 HydrophobicContact CE1-CG1 4.16Å; F282-I286 HydrophobicContact CG-CD1 4.34Å; F282-I286 HydrophobicContact CZ-CD1 4.11Å; F282-I286 WeakPolarHBondContact O-CG1 3.28Å; F282-I286 PolarHBondContact O-N 3.47Å |
| 283 | I | 90.2 | Very high | 87.2 | Confident | 79 Ų | 79 | 59 Ų | 59 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175 | -71 | 165.6 | 0 | 0 | 0 | 110.7 | I23 C279 L281 F285 I286 I287 | I23-I283 HydrophobicContact CD1-CG2 4.34Å; C279-I283 WeakPolarHBondContact O-CB 3.4Å; C279-I283 WeakPolarHBondContact O-CD1 3.23Å; C279-I283 VanDerWaalsContact O-CG1 3.22Å; C279-I283 WeakPolarHBondContact O-CG1 3.45Å; C279-I283 PolarHBondContact O-N 2.9Å; L281-I283 PolarHBondContact O-N 3.23Å; I283-F285 VanDerWaalsContact C-N 3.34Å; I283-F285 PolarHBondContact O-N 3.5Å; I283-I286 PolarHBondContact O-N 3.46Å; I283-I287 HydrophobicContact CG2-CD1 3.46Å; I283-I287 VanDerWaalsContact CG2-CD1 3.46Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 WeakPolarHBondContact O-CB 3.47Å; I283-I287 WeakPolarHBondContact O-CD1 3.28Å; I283-I287 VanDerWaalsContact O-CG1 3.28Å; I283-I287 WeakPolarHBondContact O-CG1 3.36Å; I283-I287 PolarHBondContact O-N 3Å |
| 284 | T | 90.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | F20 L280 L281 F282 F288 F315 T318 I322 | F20-T284 HydrophobicContact CD1-CG2 4.32Å; F20-T284 HydrophobicContact CE1-CG2 3.78Å; L280-T284 WeakPolarHBondContact O-CB 3.22Å; L280-T284 PolarHBondContact O-N 3.28Å; L280-T284 PolarHBondContact O-OG1 2.59Å; L281-T284 WeakPolarHBondContact O-CB 2.9Å; L281-T284 PolarHBondContact O-N 3.43Å; L281-T284 VanDerWaalsContact O-N 3.13Å; F282-T284 VanDerWaalsContact C-N 3.32Å; F282-T284 PolarHBondContact O-N 2.92Å; T284-F288 WeakPolarHBondContact O-CB 3.38Å; T284-F288 PolarHBondContact O-N 3.16Å; T284-F315 HydrophobicContact CG2-CD2 3.89Å; T284-F315 HydrophobicContact CG2-CE2 3.89Å; T284-T318 HydrophobicContact CG2-CG2 3.6Å; T284-I322 WeakPolarHBondContact OG1-CD1 3.31Å |
| 285 | F | 91.4 | Very high | 86 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 174.8 | -83.1 | -76.8 | 0 | 0 | 0 | 112.3 | L281 F282 I283 I287 F288 F289 F315 L319 | L281-F285 HydrophobicContact CD2-CE2 4.3Å; L281-F285 VanDerWaalsContact O-CD2 3.25Å; L281-F285 WeakPolarHBondContact O-CD2 3.39Å; L281-F285 PolarHBondContact O-N 3.48Å; F282-F285 PolarHBondContact O-N 3.34Å; I283-F285 VanDerWaalsContact C-N 3.34Å; I283-F285 PolarHBondContact O-N 3.5Å; F285-I287 VanDerWaalsContact C-N 3.33Å; F285-I287 PolarHBondContact O-N 2.67Å; F285-F288 WeakPolarHBondContact O-CB 3.23Å; F285-F288 PolarHBondContact O-N 3.34Å; F285-F289 HydrophobicContact CD1-CE2 4.25Å; F285-F289 VanDerWaalsContact O-CD2 3.23Å; F285-F289 WeakPolarHBondContact O-CD2 3.27Å; F285-F289 PolarHBondContact O-N 2.91Å; F285-F315 HydrophobicContact CD1-CE2 4.1Å; F285-F315 AromaticContact CD1-CZ 3.67Å; F285-F315 HydrophobicContact CD1-CZ 3.67Å; F285-F315 HydrophobicContact CE1-CE1 4.42Å; F285-F315 HydrophobicContact CE1-CE2 4.32Å; F285-F315 AromaticContact CE1-CZ 3.51Å; F285-F315 HydrophobicContact CE1-CZ 3.51Å; F285-F315 HydrophobicContact CG-CE2 4.42Å; F285-F315 HydrophobicContact CG-CZ 4.38Å; F285-F315 HydrophobicContact CZ-CZ 4.04Å; F285-L319 HydrophobicContact CE2-CD2 4.22Å; F285-L319 HydrophobicContact CZ-CD2 4.34Å |
| 286 | I | 90.9 | Very high | 84.9 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.4 | -49 | 178 | -71.9 | 166.1 | 0 | 0 | 0 | 110.6 | F282 I283 F288 F289 I290 | F282-I286 HydrophobicContact CD1-CD1 3.44Å; F282-I286 VanDerWaalsContact CD1-CD1 3.44Å; F282-I286 HydrophobicContact CD1-CG1 4.3Å; F282-I286 HydrophobicContact CE1-CD1 3.32Å; F282-I286 HydrophobicContact CE1-CG1 4.16Å; F282-I286 HydrophobicContact CG-CD1 4.34Å; F282-I286 HydrophobicContact CZ-CD1 4.11Å; F282-I286 WeakPolarHBondContact O-CG1 3.28Å; F282-I286 PolarHBondContact O-N 3.47Å; I283-I286 PolarHBondContact O-N 3.46Å; I286-F288 VanDerWaalsContact C-N 3.32Å; I286-F288 PolarHBondContact O-N 3.21Å; I286-F289 PolarHBondContact O-N 3.44Å; I286-I290 HydrophobicContact CG2-CD1 3.54Å; I286-I290 HydrophobicContact CG2-CG1 4.2Å; I286-I290 VanDerWaalsContact O-CG1 3.28Å; I286-I290 WeakPolarHBondContact O-CG1 3.25Å; I286-I290 PolarHBondContact O-N 2.84Å |
| 287 | I | 89 | Confident | 83.1 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | -179.2 | -71.5 | 161.7 | 0 | 0 | 0 | 110.6 | I19 F20 I23 I283 F285 F289 I290 Y291 | I19-I287 HydrophobicContact CG2-CD1 3.6Å; I19-I287 HydrophobicContact CG2-CG1 4.39Å; I19-I287 HydrophobicContact CG2-CG2 4.06Å; F20-I287 HydrophobicContact CE1-CG2 4.37Å; F20-I287 HydrophobicContact CE2-CG2 4.18Å; F20-I287 HydrophobicContact CZ-CG2 3.91Å; I23-I287 HydrophobicContact CD1-CD1 3.58Å; I283-I287 HydrophobicContact CG2-CD1 3.46Å; I283-I287 VanDerWaalsContact CG2-CD1 3.46Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 WeakPolarHBondContact O-CB 3.47Å; I283-I287 WeakPolarHBondContact O-CD1 3.28Å; I283-I287 VanDerWaalsContact O-CG1 3.28Å; I283-I287 WeakPolarHBondContact O-CG1 3.36Å; I283-I287 PolarHBondContact O-N 3Å; F285-I287 VanDerWaalsContact C-N 3.33Å; F285-I287 PolarHBondContact O-N 2.67Å; I287-F289 PolarHBondContact O-N 2.83Å; I287-I290 PolarHBondContact O-N 2.83Å; I287-Y291 HydrophobicContact CG2-CD2 3.7Å; I287-Y291 HydrophobicContact CG2-CE2 3.85Å; I287-Y291 VanDerWaalsContact O-CD2 3.24Å; I287-Y291 WeakPolarHBondContact O-CD2 3.02Å; I287-Y291 PolarHBondContact O-N 2.88Å |
| 288 | F | 90.9 | Very high | 81.2 | Confident | 26 Ų | 26 | 77.3 Ų | 77.3 | 11% | 0.114 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 175.3 | 175.8 | -104.3 | 0 | 0 | 0 | 111.6 | F20 T284 F285 I286 Y291 L292 L311 I312 F315 | F20-F288 HydrophobicContact CZ-CB 4.4Å; T284-F288 WeakPolarHBondContact O-CB 3.38Å; T284-F288 PolarHBondContact O-N 3.16Å; F285-F288 WeakPolarHBondContact O-CB 3.23Å; F285-F288 PolarHBondContact O-N 3.34Å; I286-F288 VanDerWaalsContact C-N 3.32Å; I286-F288 PolarHBondContact O-N 3.21Å; F288-Y291 PolarHBondContact O-N 3.21Å; F288-L292 HydrophobicContact CE1-CD1 4.24Å; F288-L292 HydrophobicContact CE2-CD1 4.32Å; F288-L292 HydrophobicContact CZ-CD1 3.82Å; F288-L292 VanDerWaalsContact O-CB 3.31Å; F288-L292 WeakPolarHBondContact O-CB 3.47Å; F288-L292 PolarHBondContact O-N 3.39Å; F288-L311 HydrophobicContact CD2-CD1 4.36Å; F288-L311 HydrophobicContact CD2-CD2 4.27Å; F288-L311 HydrophobicContact CD2-CG 3.97Å; F288-L311 HydrophobicContact CE2-CD2 4.26Å; F288-L311 HydrophobicContact CE2-CG 4.05Å; F288-I312 HydrophobicContact CE2-CG1 4.26Å; F288-I312 HydrophobicContact CZ-CG1 4.49Å; F288-F315 HydrophobicContact CB-CD2 3.55Å; F288-F315 HydrophobicContact CB-CE2 3.77Å; F288-F315 HydrophobicContact CB-CG 4.16Å; F288-F315 HydrophobicContact CD1-CD2 4.48Å; F288-F315 HydrophobicContact CD1-CE1 4.43Å; F288-F315 HydrophobicContact CD1-CE2 4.4Å; F288-F315 HydrophobicContact CD1-CZ 4.36Å; F288-F315 HydrophobicContact CD2-CB 3.57Å; F288-F315 HydrophobicContact CD2-CD1 4Å; F288-F315 AromaticContact CD2-CD2 3.84Å; F288-F315 HydrophobicContact CD2-CD2 3.84Å; F288-F315 AromaticContact CD2-CG 3.52Å; F288-F315 HydrophobicContact CD2-CG 3.52Å; F288-F315 HydrophobicContact CE2-CB 3.96Å; F288-F315 HydrophobicContact CE2-CD1 4.06Å; F288-F315 AromaticContact CE2-CG 3.99Å; F288-F315 HydrophobicContact CE2-CG 3.99Å; F288-F315 HydrophobicContact CG-CB 4.32Å; F288-F315 HydrophobicContact CG-CD1 4.23Å; F288-F315 AromaticContact CG-CD2 3.7Å; F288-F315 HydrophobicContact CG-CD2 3.7Å; F288-F315 HydrophobicContact CG-CE1 4.47Å; F288-F315 AromaticContact CG-CE2 3.99Å; F288-F315 HydrophobicContact CG-CE2 3.99Å; F288-F315 AromaticContact CG-CG 3.82Å; F288-F315 HydrophobicContact CG-CG 3.82Å; F288-F315 HydrophobicContact CG-CZ 4.35Å; F288-F315 HydrophobicContact CZ-CD1 4.35Å |
| 289 | F | 90.2 | Very high | 79.2 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 179.5 | -80.9 | -68.9 | 0 | 0 | 0 | 113.1 | F285 I286 I287 Y291 L292 C293 | F285-F289 HydrophobicContact CD1-CE2 4.25Å; F285-F289 VanDerWaalsContact O-CD2 3.23Å; F285-F289 WeakPolarHBondContact O-CD2 3.27Å; F285-F289 PolarHBondContact O-N 2.91Å; I286-F289 PolarHBondContact O-N 3.44Å; I287-F289 PolarHBondContact O-N 2.83Å; F289-Y291 VanDerWaalsContact C-N 3.33Å; F289-Y291 PolarHBondContact O-N 3.47Å; F289-L292 HydrophobicContact CD1-CD2 4.39Å; F289-L292 PolarHBondContact O-N 3.37Å; F289-C293 WeakPolarHBondContact O-CB 3.5Å; F289-C293 PolarHBondContact O-N 3.35Å; F289-C293 PolarHBondContact O-SG 2.94Å; F289-C293 VanDerWaalsContact O-SG 3.35Å |
| 290 | I | 87.8 | Confident | 77.6 | Confident | 100 Ų | 100 | 81 Ų | 81 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.7 | -48.9 | 174.8 | -71 | 169.7 | 0 | 0 | 0 | 110 | I286 I287 C293 V294 | I286-I290 HydrophobicContact CG2-CD1 3.54Å; I286-I290 HydrophobicContact CG2-CG1 4.2Å; I286-I290 VanDerWaalsContact O-CG1 3.28Å; I286-I290 WeakPolarHBondContact O-CG1 3.25Å; I286-I290 PolarHBondContact O-N 2.84Å; I287-I290 PolarHBondContact O-N 2.83Å; I290-C293 PolarHBondContact O-N 3.43Å; I290-V294 WeakPolarHBondContact O-CG2 3.4Å; I290-V294 PolarHBondContact O-N 3.42Å |
| 291 | Y | 85.8 | Confident | 76.2 | Confident | 49 Ų | 49 | 86 Ų | 86 | 19% | 0.192 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -76.4 | -22.5 | -178.8 | -76.4 | -64.7 | 0 | 0 | 0 | 114.2 | F16 I19 I287 F288 F289 C293 V294 Y307 | F16-Y291 HydrophobicContact CB-CD1 4.31Å; F16-Y291 HydrophobicContact CB-CD2 3.71Å; F16-Y291 HydrophobicContact CB-CE1 4.43Å; F16-Y291 HydrophobicContact CB-CE2 3.86Å; F16-Y291 HydrophobicContact CB-CG 3.96Å; I19-Y291 HydrophobicContact CD1-CE2 3.73Å; I19-Y291 WeakPolarHBondContact CD1-OH 3.34Å; I287-Y291 HydrophobicContact CG2-CD2 3.7Å; I287-Y291 HydrophobicContact CG2-CE2 3.85Å; I287-Y291 VanDerWaalsContact O-CD2 3.24Å; I287-Y291 WeakPolarHBondContact O-CD2 3.02Å; I287-Y291 PolarHBondContact O-N 2.88Å; F288-Y291 PolarHBondContact O-N 3.21Å; F289-Y291 VanDerWaalsContact C-N 3.33Å; F289-Y291 PolarHBondContact O-N 3.47Å; Y291-C293 VanDerWaalsContact C-N 3.34Å; Y291-V294 HydrophobicContact CD1-CG2 4.21Å; Y291-Y307 WeakPolarHBondContact CD1-OH 3.13Å |
| 292 | L | 84.8 | Confident | 75.3 | Confident | 58 Ų | 58 | 88.3 Ų | 88.3 | 30% | 0.304 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 171 | -164.2 | 89.3 | 0 | 0 | 0 | 111.2 | F288 F289 L311 | F288-L292 HydrophobicContact CE1-CD1 4.24Å; F288-L292 HydrophobicContact CE2-CD1 4.32Å; F288-L292 HydrophobicContact CZ-CD1 3.82Å; F288-L292 VanDerWaalsContact O-CB 3.31Å; F288-L292 WeakPolarHBondContact O-CB 3.47Å; F288-L292 PolarHBondContact O-N 3.39Å; F289-L292 HydrophobicContact CD1-CD2 4.39Å; F289-L292 PolarHBondContact O-N 3.37Å; L292-L311 HydrophobicContact CB-CD2 4.45Å; L292-L311 HydrophobicContact CD1-CD2 4.42Å |
| 293 | C | 81.9 | Confident | 74.4 | Confident | 94 Ų | 94 | 89.2 Ų | 89.2 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -85.9 | -0.8 | -175.2 | -68 | 0 | 0 | 0 | 0 | 114.6 | F289 I290 Y291 P295 | F289-C293 WeakPolarHBondContact O-CB 3.5Å; F289-C293 PolarHBondContact O-N 3.35Å; F289-C293 PolarHBondContact O-SG 2.94Å; F289-C293 VanDerWaalsContact O-SG 3.35Å; I290-C293 PolarHBondContact O-N 3.43Å; Y291-C293 VanDerWaalsContact C-N 3.34Å; C293-P295 VanDerWaalsContact O-CD 3.27Å; C293-P295 WeakPolarHBondContact O-CD 3.4Å |
| 294 | V | 75.7 | Confident | 73.7 | Confident | 57 Ų | 57 | 88.9 Ų | 88.9 | 35% | 0.345 | 46% | 0.458 | S | S | . | . | trans | -64.8 | 119.4 | 179.1 | 174.8 | 0 | 0 | 0 | 0 | 110 | I290 Y291 F296 | I290-V294 WeakPolarHBondContact O-CG2 3.4Å; I290-V294 PolarHBondContact O-N 3.42Å; Y291-V294 HydrophobicContact CD1-CG2 4.21Å; V294-F296 PolarHBondContact O-N 3.33Å | ||
| 295 | P | 62.2 | Low | 73.1 | Confident | 108 Ų | 108 | 90.7 Ų | 90.7 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | trans | -69.4 | 117.2 | 176.5 | 26.6 | -31.2 | 0 | 0 | 0 | 109.5 | C293 N297 | C293-P295 VanDerWaalsContact O-CD 3.27Å; C293-P295 WeakPolarHBondContact O-CD 3.4Å; P295-N297 PolarHBondContact O-N 2.73Å | ||
| 296 | F | 61.7 | Low | 72.6 | Confident | 87 Ų | 87 | 90.6 Ų | 90.6 | 38% | 0.382 | 48% | 0.479 | S | S | . | . | trans | -87.5 | 103.7 | 177.8 | -132.4 | -94.5 | 0 | 0 | 0 | 109.1 | V294 K298 Y304 Y307 | V294-F296 PolarHBondContact O-N 3.33Å; F296-K298 PolarHBondContact O-N 3.14Å; F296-Y304 HydrophobicContact CB-CD2 3.43Å; F296-Y304 VanDerWaalsContact CB-CD2 3.43Å; F296-Y304 HydrophobicContact CB-CE2 3.63Å; F296-Y304 HydrophobicContact CB-CG 4.29Å; F296-Y304 HydrophobicContact CD1-CD2 4.18Å; F296-Y304 AromaticContact CD2-CD2 3.66Å; F296-Y304 HydrophobicContact CD2-CD2 3.66Å; F296-Y304 HydrophobicContact CD2-CE2 4.04Å; F296-Y304 HydrophobicContact CE2-CD2 4.44Å; F296-Y304 AromaticContact CG-CD2 3.5Å; F296-Y304 HydrophobicContact CG-CD2 3.5Å; F296-Y304 VanDerWaalsContact CG-CD2 3.5Å; F296-Y304 HydrophobicContact CG-CE2 4.05Å; F296-Y304 HydrophobicContact CG-CG 4.42Å; F296-Y307 AromaticContact CE2-CD2 3.84Å; F296-Y307 HydrophobicContact CE2-CD2 3.84Å; F296-Y307 HydrophobicContact CE2-CE2 4.24Å; F296-Y307 HydrophobicContact CE2-CG 4.06Å; F296-Y307 HydrophobicContact CZ-CD2 4.45Å | ||
| 297 | N | 48.5 | Very low | 72.3 | Confident | 148 Ų | 148 | 88 Ų | 88 | 79% | 0.791 | 47% | 0.465 | S | S | * | . | trans | -66.2 | 104.4 | 177.2 | -83.2 | -13.8 | 0 | 0 | 0 | 110.8 | P295 Q299 | P295-N297 PolarHBondContact O-N 2.73Å; N297-Q299 PolarHBondContact O-N 3.5Å | ||
| 298 | K | 44.5 | Very low | 72.1 | Confident | 214 Ų | 214 | 90.3 Ų | 90.3 | 93% | 0.93 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 33.2 | 45.5 | 152.5 | -77.8 | -175.4 | 174.8 | 177.8 | 0 | 118.6 | F296 | F296-K298 PolarHBondContact O-N 3.14Š|
| 299 | Q | 43 | Very low | 71.9 | Confident | 146 Ų | 146 | 94.7 Ų | 94.7 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -131.3 | 100.8 | 164.6 | -84.7 | -177 | -13.5 | 0 | 0 | 111.8 | N297 | N297-Q299 PolarHBondContact O-N 3.5Š|
| 300 | S | 54.6 | Low | 71.8 | Confident | 60 Ų | 60 | 93.2 Ų | 93.2 | 42% | 0.42 | 49% | 0.485 | S | S | . | . | trans | 54.7 | 115.2 | 175.4 | 71.1 | 0 | 0 | 0 | 0 | 116.6 | S302 R303 | S300-S302 PolarHBondContact O-N 3.09Å; S300-S302 VanDerWaalsContact O-N 3.13Å; S300-R303 PolarHBondContact O-N 3.18Å; S300-R303 VanDerWaalsContact O-N 3.16Å; S300-R303 WeakPolarHBondContact OG-CB 3.48Å; S300-R303 WeakPolarHBondContact OG-CD 3.48Å; S300-R303 VanDerWaalsContact OG-CG 3.27Å; S300-R303 WeakPolarHBondContact OG-CG 3.46Å | ||
| 301 | S | 60.6 | Low | 71.8 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -50.3 | -34.7 | 172.8 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | Y304 G305 | S301-Y304 PolarHBondContact O-N 2.79Å; S301-G305 PolarHBondContact O-N 3.49Å; S301-G305 VanDerWaalsContact O-N 3.07Å |
| 302 | S | 66.7 | Low | 72 | Confident | 78 Ų | 78 | 89.4 Ų | 89.4 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 179.9 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | S300 G305 L306 | S300-S302 PolarHBondContact O-N 3.09Å; S300-S302 VanDerWaalsContact O-N 3.13Å; S302-G305 PolarHBondContact O-N 2.96Å; S302-L306 WeakPolarHBondContact O-CG 3.3Å; S302-L306 PolarHBondContact O-N 3.35Å; S302-L306 VanDerWaalsContact O-N 3.11Å |
| 303 | R | 72 | Confident | 72.4 | Confident | 158 Ų | 158 | 89.5 Ų | 89.5 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.4 | -33 | 177.3 | -72.7 | -177.4 | -178.4 | -179.7 | 3.2 | 112.6 | S300 Y307 | S300-R303 PolarHBondContact O-N 3.18Å; S300-R303 VanDerWaalsContact O-N 3.16Å; S300-R303 WeakPolarHBondContact OG-CB 3.48Å; S300-R303 WeakPolarHBondContact OG-CD 3.48Å; S300-R303 VanDerWaalsContact OG-CG 3.27Å; S300-R303 WeakPolarHBondContact OG-CG 3.46Å; R303-Y307 WeakPolarHBondContact O-CB 3.09Å; R303-Y307 PolarHBondContact O-N 3.34Å |
| 304 | Y | 74.9 | Confident | 72.8 | Confident | 72 Ų | 72 | 86.4 Ų | 86.4 | 28% | 0.282 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 175.5 | -175.5 | -115.3 | 0 | 0 | 0 | 112.1 | F296 S301 Y307 K308 | F296-Y304 HydrophobicContact CB-CD2 3.43Å; F296-Y304 VanDerWaalsContact CB-CD2 3.43Å; F296-Y304 HydrophobicContact CB-CE2 3.63Å; F296-Y304 HydrophobicContact CB-CG 4.29Å; F296-Y304 HydrophobicContact CD1-CD2 4.18Å; F296-Y304 AromaticContact CD2-CD2 3.66Å; F296-Y304 HydrophobicContact CD2-CD2 3.66Å; F296-Y304 HydrophobicContact CD2-CE2 4.04Å; F296-Y304 HydrophobicContact CE2-CD2 4.44Å; F296-Y304 AromaticContact CG-CD2 3.5Å; F296-Y304 HydrophobicContact CG-CD2 3.5Å; F296-Y304 VanDerWaalsContact CG-CD2 3.5Å; F296-Y304 HydrophobicContact CG-CE2 4.05Å; F296-Y304 HydrophobicContact CG-CG 4.42Å; S301-Y304 PolarHBondContact O-N 2.79Å; Y304-Y307 WeakPolarHBondContact O-CB 3.38Å; Y304-Y307 PolarHBondContact O-N 3.24Å; Y304-K308 HydrophobicContact CD1-CD 4.46Å; Y304-K308 HydrophobicContact CE1-CD 3.83Å; Y304-K308 HydrophobicContact CE1-CG 4.48Å; Y304-K308 HydrophobicContact CE2-CG 4.49Å; Y304-K308 PolarHBondContact O-N 2.82Å; Y304-K308 WeakPolarHBondContact OH-CE 3.5Å; Y304-K308 PolarHBondContact OH-NZ 3.17Å |
| 305 | G | 77.8 | Confident | 73.6 | Confident | 39 Ų | 39 | 84.5 Ų | 84.5 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S301 S302 Y307 K308 F309 | S301-G305 PolarHBondContact O-N 3.49Å; S301-G305 VanDerWaalsContact O-N 3.07Å; S302-G305 PolarHBondContact O-N 2.96Å; G305-Y307 PolarHBondContact O-N 3.17Å; G305-K308 PolarHBondContact O-N 3.5Å; G305-F309 VanDerWaalsContact O-CB 3.3Å; G305-F309 WeakPolarHBondContact O-CB 3.3Å; G305-F309 PolarHBondContact O-N 3.27Å |
| 306 | L | 81.3 | Confident | 75 | Confident | 83 Ų | 83 | 85.7 Ų | 85.7 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 175.4 | -73.4 | 168.5 | 0 | 0 | 0 | 112.5 | S302 F309 Y310 | S302-L306 WeakPolarHBondContact O-CG 3.3Å; S302-L306 PolarHBondContact O-N 3.35Å; S302-L306 VanDerWaalsContact O-N 3.11Å; L306-F309 PolarHBondContact O-N 2.81Å; L306-Y310 HydrophobicContact CB-CE2 4.42Å; L306-Y310 HydrophobicContact CD2-CE2 4.45Å; L306-Y310 WeakPolarHBondContact O-CD2 3.4Å; L306-Y310 PolarHBondContact O-N 3.28Å |
| 307 | Y | 84.7 | Confident | 76.5 | Confident | 19 Ų | 19 | 85.5 Ų | 85.5 | 8% | 0.075 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.1 | -52 | 175.3 | 178.3 | -83.1 | 0 | 0 | 0 | 111.7 | Y14 F16 Y291 F296 R303 Y304 G305 Y310 L311 | Y14-Y307 AromaticContact CD1-CD2 3.49Å; Y14-Y307 HydrophobicContact CD1-CD2 3.49Å; Y14-Y307 VanDerWaalsContact CD1-CD2 3.49Å; Y14-Y307 HydrophobicContact CD1-CE2 4.06Å; Y14-Y307 HydrophobicContact CD1-CG 4.34Å; Y14-Y307 AromaticContact CE1-CD2 3.66Å; Y14-Y307 HydrophobicContact CE1-CD2 3.66Å; Y14-Y307 HydrophobicContact CE1-CG 4.22Å; F16-Y307 AromaticContact CD1-CE2 3.78Å; F16-Y307 HydrophobicContact CD1-CE2 3.78Å; F16-Y307 AromaticContact CD1-CZ 3.73Å; F16-Y307 HydrophobicContact CE1-CD1 4.5Å; F16-Y307 AromaticContact CE1-CD2 3.81Å; F16-Y307 HydrophobicContact CE1-CD2 3.81Å; F16-Y307 HydrophobicContact CE1-CE1 4.19Å; F16-Y307 AromaticContact CE1-CE2 3.45Å; F16-Y307 HydrophobicContact CE1-CE2 3.45Å; F16-Y307 VanDerWaalsContact CE1-CE2 3.45Å; F16-Y307 HydrophobicContact CE1-CG 4.3Å; F16-Y307 AromaticContact CE1-CZ 3.64Å; Y291-Y307 WeakPolarHBondContact CD1-OH 3.13Å; F296-Y307 AromaticContact CE2-CD2 3.84Å; F296-Y307 HydrophobicContact CE2-CD2 3.84Å; F296-Y307 HydrophobicContact CE2-CE2 4.24Å; F296-Y307 HydrophobicContact CE2-CG 4.06Å; F296-Y307 HydrophobicContact CZ-CD2 4.45Å; R303-Y307 WeakPolarHBondContact O-CB 3.09Å; R303-Y307 PolarHBondContact O-N 3.34Å; Y304-Y307 WeakPolarHBondContact O-CB 3.38Å; Y304-Y307 PolarHBondContact O-N 3.24Å; G305-Y307 PolarHBondContact O-N 3.17Å; Y307-Y310 PolarHBondContact O-N 2.96Å; Y307-L311 HydrophobicContact CE1-CD2 4.4Å; Y307-L311 WeakPolarHBondContact O-CB 3.27Å; Y307-L311 PolarHBondContact O-N 3.25Å |
| 308 | K | 84.1 | Confident | 78.6 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 178.9 | -82.6 | -172.3 | 162.8 | 172.4 | 0 | 112.1 | Y304 G305 Y310 L311 I312 | Y304-K308 HydrophobicContact CD1-CD 4.46Å; Y304-K308 HydrophobicContact CE1-CD 3.83Å; Y304-K308 HydrophobicContact CE1-CG 4.48Å; Y304-K308 HydrophobicContact CE2-CG 4.49Å; Y304-K308 PolarHBondContact O-N 2.82Å; Y304-K308 WeakPolarHBondContact OH-CE 3.5Å; Y304-K308 PolarHBondContact OH-NZ 3.17Å; G305-K308 PolarHBondContact O-N 3.5Å; K308-Y310 PolarHBondContact O-N 3.2Å; K308-L311 PolarHBondContact O-N 2.82Å; K308-I312 WeakPolarHBondContact O-CB 3.47Å; K308-I312 VanDerWaalsContact O-CG1 3.28Å; K308-I312 WeakPolarHBondContact O-CG1 3.45Å; K308-I312 PolarHBondContact O-N 3.38Å |
| 309 | F | 86.9 | Confident | 80.8 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 176.5 | -179.5 | -104.7 | 0 | 0 | 0 | 111.5 | G305 L306 L311 I312 I313 | G305-F309 VanDerWaalsContact O-CB 3.3Å; G305-F309 WeakPolarHBondContact O-CB 3.3Å; G305-F309 PolarHBondContact O-N 3.27Å; L306-F309 PolarHBondContact O-N 2.81Å; F309-L311 VanDerWaalsContact C-N 3.35Å; F309-L311 PolarHBondContact O-N 2.94Å; F309-I312 PolarHBondContact O-N 3.38Å; F309-I313 HydrophobicContact CD1-CD1 3.73Å; F309-I313 HydrophobicContact CD2-CD1 4.19Å; F309-I313 HydrophobicContact CE1-CD1 3.24Å; F309-I313 HydrophobicContact CE2-CD1 3.74Å; F309-I313 HydrophobicContact CG-CD1 4.2Å; F309-I313 HydrophobicContact CZ-CD1 3.26Å; F309-I313 HydrophobicContact CZ-CG1 4.45Å; F309-I313 WeakPolarHBondContact O-CB 3.5Å; F309-I313 WeakPolarHBondContact O-CG1 3.18Å; F309-I313 PolarHBondContact O-N 3.41Å |
| 310 | Y | 87.8 | Confident | 83.1 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 175.8 | -75 | -57.5 | 0 | 0 | 0 | 112.7 | Y14 L306 Y307 K308 N314 | Y14-Y310 HydrophobicContact CE2-CD2 4.07Å; Y14-Y310 HydrophobicContact CE2-CE2 4.33Å; Y14-Y310 AromaticContact CZ-CD2 3.99Å; L306-Y310 HydrophobicContact CB-CE2 4.42Å; L306-Y310 HydrophobicContact CD2-CE2 4.45Å; L306-Y310 WeakPolarHBondContact O-CD2 3.4Å; L306-Y310 PolarHBondContact O-N 3.28Å; Y307-Y310 PolarHBondContact O-N 2.96Å; K308-Y310 PolarHBondContact O-N 3.2Å; Y310-N314 WeakPolarHBondContact O-CB 3.35Å; Y310-N314 PolarHBondContact O-N 3.32Å; Y310-N314 PolarHBondContact O-ND2 3.27Å |
| 311 | L | 88.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 176.5 | -179.6 | 66.9 | 0 | 0 | 0 | 111.2 | F16 F20 F288 L292 Y307 K308 F309 N314 F315 | F16-L311 HydrophobicContact CB-CD1 4.18Å; F16-L311 HydrophobicContact CD1-CD1 4.12Å; F16-L311 HydrophobicContact CD2-CD1 3.94Å; F16-L311 HydrophobicContact CE1-CB 4.28Å; F16-L311 HydrophobicContact CE1-CD1 4.49Å; F16-L311 HydrophobicContact CE2-CB 4.28Å; F16-L311 HydrophobicContact CE2-CD1 4.36Å; F16-L311 HydrophobicContact CG-CD1 3.83Å; F16-L311 HydrophobicContact CZ-CB 4.07Å; F20-L311 HydrophobicContact CE2-CD1 3.82Å; F20-L311 HydrophobicContact CZ-CD1 4.45Å; F288-L311 HydrophobicContact CD2-CD1 4.36Å; F288-L311 HydrophobicContact CD2-CD2 4.27Å; F288-L311 HydrophobicContact CD2-CG 3.97Å; F288-L311 HydrophobicContact CE2-CD2 4.26Å; F288-L311 HydrophobicContact CE2-CG 4.05Å; L292-L311 HydrophobicContact CB-CD2 4.45Å; L292-L311 HydrophobicContact CD1-CD2 4.42Å; Y307-L311 HydrophobicContact CE1-CD2 4.4Å; Y307-L311 WeakPolarHBondContact O-CB 3.27Å; Y307-L311 PolarHBondContact O-N 3.25Å; K308-L311 PolarHBondContact O-N 2.82Å; F309-L311 VanDerWaalsContact C-N 3.35Å; F309-L311 PolarHBondContact O-N 2.94Å; L311-N314 PolarHBondContact O-N 3.46Å; L311-F315 WeakPolarHBondContact O-CB 3.45Å; L311-F315 PolarHBondContact O-N 3.4Å |
| 312 | I | 90.3 | Very high | 86.1 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 36% | 0.359 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 179.4 | -69.1 | 166.9 | 0 | 0 | 0 | 110.4 | F288 K308 F309 N314 F315 F316 | F288-I312 HydrophobicContact CE2-CG1 4.26Å; F288-I312 HydrophobicContact CZ-CG1 4.49Å; K308-I312 WeakPolarHBondContact O-CB 3.47Å; K308-I312 VanDerWaalsContact O-CG1 3.28Å; K308-I312 WeakPolarHBondContact O-CG1 3.45Å; K308-I312 PolarHBondContact O-N 3.38Å; F309-I312 PolarHBondContact O-N 3.38Å; I312-N314 PolarHBondContact O-N 3.35Å; I312-F315 PolarHBondContact O-N 3.39Å; I312-F316 HydrophobicContact CG2-CD2 3.63Å; I312-F316 HydrophobicContact CG2-CE2 3.66Å; I312-F316 VanDerWaalsContact O-CD2 3.31Å; I312-F316 WeakPolarHBondContact O-CD2 3.31Å; I312-F316 PolarHBondContact O-N 3.07Å |
| 313 | I | 92.5 | Very high | 87.1 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 178.4 | -74.4 | 175.2 | 0 | 0 | 0 | 111.6 | F309 F315 F316 I317 | F309-I313 HydrophobicContact CD1-CD1 3.73Å; F309-I313 HydrophobicContact CD2-CD1 4.19Å; F309-I313 HydrophobicContact CE1-CD1 3.24Å; F309-I313 HydrophobicContact CE2-CD1 3.74Å; F309-I313 HydrophobicContact CG-CD1 4.2Å; F309-I313 HydrophobicContact CZ-CD1 3.26Å; F309-I313 HydrophobicContact CZ-CG1 4.45Å; F309-I313 WeakPolarHBondContact O-CB 3.5Å; F309-I313 WeakPolarHBondContact O-CG1 3.18Å; F309-I313 PolarHBondContact O-N 3.41Å; I313-F315 VanDerWaalsContact C-N 3.32Å; I313-F315 PolarHBondContact O-N 2.9Å; I313-F316 PolarHBondContact O-N 3Å; I313-I317 HydrophobicContact CG2-CD1 3.64Å; I313-I317 HydrophobicContact CG2-CG1 4.36Å; I313-I317 VanDerWaalsContact O-CG1 3.3Å; I313-I317 WeakPolarHBondContact O-CG1 3.16Å; I313-I317 PolarHBondContact O-N 3.23Å |
| 314 | N | 89.9 | Confident | 87.7 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 179.7 | -82.5 | -87.5 | 0 | 0 | 0 | 112 | L17 F20 Y310 L311 I312 I317 T318 | L17-N314 VanDerWaalsContact CD2-CG 3.45Å; L17-N314 WeakPolarHBondContact CD2-ND2 3.07Å; L17-N314 WeakPolarHBondContact CD2-OD1 3.17Å; F20-N314 HydrophobicContact CB-CB 4.41Å; F20-N314 HydrophobicContact CD2-CB 3.93Å; F20-N314 HydrophobicContact CG-CB 4.25Å; Y310-N314 WeakPolarHBondContact O-CB 3.35Å; Y310-N314 PolarHBondContact O-N 3.32Å; Y310-N314 PolarHBondContact O-ND2 3.27Å; L311-N314 PolarHBondContact O-N 3.46Å; I312-N314 PolarHBondContact O-N 3.35Å; N314-I317 PolarHBondContact O-N 3.49Å; N314-T318 WeakPolarHBondContact O-CB 3.43Å; N314-T318 PolarHBondContact O-N 2.81Å; N314-T318 PolarHBondContact O-OG1 2.79Å |
| 315 | F | 92.2 | Very high | 88.2 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.4 | 177.8 | -110 | 0 | 0 | 0 | 111.8 | F20 T284 F285 F288 L311 I312 I313 T318 L319 | F20-F315 HydrophobicContact CE1-CD2 4.31Å; F20-F315 HydrophobicContact CZ-CB 4.43Å; F20-F315 HydrophobicContact CZ-CD2 4.45Å; T284-F315 HydrophobicContact CG2-CD2 3.89Å; T284-F315 HydrophobicContact CG2-CE2 3.89Å; F285-F315 HydrophobicContact CD1-CE2 4.1Å; F285-F315 AromaticContact CD1-CZ 3.67Å; F285-F315 HydrophobicContact CD1-CZ 3.67Å; F285-F315 HydrophobicContact CE1-CE1 4.42Å; F285-F315 HydrophobicContact CE1-CE2 4.32Å; F285-F315 AromaticContact CE1-CZ 3.51Å; F285-F315 HydrophobicContact CE1-CZ 3.51Å; F285-F315 HydrophobicContact CG-CE2 4.42Å; F285-F315 HydrophobicContact CG-CZ 4.38Å; F285-F315 HydrophobicContact CZ-CZ 4.04Å; F288-F315 HydrophobicContact CB-CD2 3.55Å; F288-F315 HydrophobicContact CB-CE2 3.77Å; F288-F315 HydrophobicContact CB-CG 4.16Å; F288-F315 HydrophobicContact CD1-CD2 4.48Å; F288-F315 HydrophobicContact CD1-CE1 4.43Å; F288-F315 HydrophobicContact CD1-CE2 4.4Å; F288-F315 HydrophobicContact CD1-CZ 4.36Å; F288-F315 HydrophobicContact CD2-CB 3.57Å; F288-F315 HydrophobicContact CD2-CD1 4Å; F288-F315 AromaticContact CD2-CD2 3.84Å; F288-F315 HydrophobicContact CD2-CD2 3.84Å; F288-F315 AromaticContact CD2-CG 3.52Å; F288-F315 HydrophobicContact CD2-CG 3.52Å; F288-F315 HydrophobicContact CE2-CB 3.96Å; F288-F315 HydrophobicContact CE2-CD1 4.06Å; F288-F315 AromaticContact CE2-CG 3.99Å; F288-F315 HydrophobicContact CE2-CG 3.99Å; F288-F315 HydrophobicContact CG-CB 4.32Å; F288-F315 HydrophobicContact CG-CD1 4.23Å; F288-F315 AromaticContact CG-CD2 3.7Å; F288-F315 HydrophobicContact CG-CD2 3.7Å; F288-F315 HydrophobicContact CG-CE1 4.47Å; F288-F315 AromaticContact CG-CE2 3.99Å; F288-F315 HydrophobicContact CG-CE2 3.99Å; F288-F315 AromaticContact CG-CG 3.82Å; F288-F315 HydrophobicContact CG-CG 3.82Å; F288-F315 HydrophobicContact CG-CZ 4.35Å; F288-F315 HydrophobicContact CZ-CD1 4.35Å; L311-F315 WeakPolarHBondContact O-CB 3.45Å; L311-F315 PolarHBondContact O-N 3.4Å; I312-F315 PolarHBondContact O-N 3.39Å; I313-F315 VanDerWaalsContact C-N 3.32Å; I313-F315 PolarHBondContact O-N 2.9Å; F315-T318 PolarHBondContact O-N 2.75Å; F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CD2-CD1 4.43Å; F315-L319 HydrophobicContact CE1-CD1 3.26Å; F315-L319 HydrophobicContact CE1-CG 4.34Å; F315-L319 HydrophobicContact CE2-CD1 3.89Å; F315-L319 HydrophobicContact CE2-CG 4.16Å; F315-L319 HydrophobicContact CG-CD1 4.43Å; F315-L319 HydrophobicContact CZ-CD1 3.27Å; F315-L319 HydrophobicContact CZ-CG 4.02Å; F315-L319 WeakPolarHBondContact O-CB 3.11Å; F315-L319 PolarHBondContact O-N 2Å |
| 316 | F | 92.7 | Very high | 88.3 | Confident | 134 Ų | 134 | 57.2 Ų | 57.2 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 175.7 | -90.1 | -70.6 | 0 | 0 | 0 | 112.8 | I312 I313 L319 F320 | I312-F316 HydrophobicContact CG2-CD2 3.63Å; I312-F316 HydrophobicContact CG2-CE2 3.66Å; I312-F316 VanDerWaalsContact O-CD2 3.31Å; I312-F316 WeakPolarHBondContact O-CD2 3.31Å; I312-F316 PolarHBondContact O-N 3.07Å; I313-F316 PolarHBondContact O-N 3Å; F316-L319 PolarHBondContact O-N 2.95Å; F316-F320 VanDerWaalsContact O-CB 3.31Å; F316-F320 WeakPolarHBondContact O-CB 3.33Å; F316-F320 PolarHBondContact O-N 3.33Å |
| 317 | I | 92.3 | Very high | 88.2 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 178 | -68.9 | 168.7 | 0 | 0 | 0 | 110.6 | I313 N314 F320 I321 | I313-I317 HydrophobicContact CG2-CD1 3.64Å; I313-I317 HydrophobicContact CG2-CG1 4.36Å; I313-I317 VanDerWaalsContact O-CG1 3.3Å; I313-I317 WeakPolarHBondContact O-CG1 3.16Å; I313-I317 PolarHBondContact O-N 3.23Å; N314-I317 PolarHBondContact O-N 3.49Å; I317-F320 PolarHBondContact O-N 3.23Å; I317-I321 HydrophobicContact CG2-CD1 3.92Å; I317-I321 WeakPolarHBondContact O-CG1 3.25Å; I317-I321 PolarHBondContact O-N 3.47Å |
| 318 | T | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 178.2 | -70.8 | 0 | 0 | 0 | 0 | 111.6 | F20 I23 N24 T284 N314 F315 F320 I321 I322 | F20-T318 HydrophobicContact CD1-CG2 4.08Å; I23-T318 HydrophobicContact CG2-CG2 3.94Å; N24-T318 PolarHBondContact ND2-OG1 3.28Å; N24-T318 WeakPolarHBondContact OD1-CA 3.24Å; N24-T318 VanDerWaalsContact OD1-CB 3.3Å; N24-T318 WeakPolarHBondContact OD1-CB 3.47Å; N24-T318 WeakPolarHBondContact OD1-CG2 2.96Å; N24-T318 PolarHBondContact OD1-OG1 3.41Å; T284-T318 HydrophobicContact CG2-CG2 3.6Å; N314-T318 WeakPolarHBondContact O-CB 3.43Å; N314-T318 PolarHBondContact O-N 2.81Å; N314-T318 PolarHBondContact O-OG1 2.79Å; F315-T318 PolarHBondContact O-N 2.75Å; T318-F320 VanDerWaalsContact C-N 3.32Å; T318-F320 PolarHBondContact O-N 3.43Å; T318-I321 PolarHBondContact O-N 3.42Å; T318-I322 HydrophobicContact CG2-CD1 3.58Å; T318-I322 HydrophobicContact CG2-CG1 4.26Å; T318-I322 VanDerWaalsContact O-CG1 3.28Å; T318-I322 WeakPolarHBondContact O-CG1 3.43Å; T318-I322 PolarHBondContact O-N 2.88Å |
| 319 | L | 91.6 | Very high | 86.8 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 173.7 | -91.9 | 171.9 | 0 | 0 | 0 | 111.5 | L281 F285 F315 F316 I321 I322 I323 | L281-L319 HydrophobicContact CD2-CD2 3.49Å; L281-L319 VanDerWaalsContact CD2-CD2 3.49Å; F285-L319 HydrophobicContact CE2-CD2 4.22Å; F285-L319 HydrophobicContact CZ-CD2 4.34Å; F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CD2-CD1 4.43Å; F315-L319 HydrophobicContact CE1-CD1 3.26Å; F315-L319 HydrophobicContact CE1-CG 4.34Å; F315-L319 HydrophobicContact CE2-CD1 3.89Å; F315-L319 HydrophobicContact CE2-CG 4.16Å; F315-L319 HydrophobicContact CG-CD1 4.43Å; F315-L319 HydrophobicContact CZ-CD1 3.27Å; F315-L319 HydrophobicContact CZ-CG 4.02Å; F315-L319 WeakPolarHBondContact O-CB 3.11Å; F315-L319 PolarHBondContact O-N 2Å; F316-L319 PolarHBondContact O-N 2.95Å; L319-I321 VanDerWaalsContact C-N 3.33Å; L319-I321 PolarHBondContact O-N 3.5Å; L319-I322 PolarHBondContact O-N 3.25Å; L319-I323 HydrophobicContact CB-CD1 4.39Å; L319-I323 HydrophobicContact CD2-CD1 4.16Å; L319-I323 VanDerWaalsContact O-CB 3.28Å; L319-I323 WeakPolarHBondContact O-CB 3.02Å; L319-I323 WeakPolarHBondContact O-CD1 2.97Å; L319-I323 WeakPolarHBondContact O-CG1 3.5Å; L319-I323 PolarHBondContact O-N 2.84Å |
| 320 | F | 91.7 | Very high | 85.9 | Confident | 136 Ų | 136 | 55.6 Ų | 55.6 | 60% | 0.596 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.3 | -46.2 | 179 | -179.7 | -96.9 | 0 | 0 | 0 | 111.5 | F316 I317 T318 W324 | F316-F320 VanDerWaalsContact O-CB 3.31Å; F316-F320 WeakPolarHBondContact O-CB 3.33Å; F316-F320 PolarHBondContact O-N 3.33Å; I317-F320 PolarHBondContact O-N 3.23Å; T318-F320 VanDerWaalsContact C-N 3.32Å; T318-F320 PolarHBondContact O-N 3.43Å; F320-W324 WeakPolarHBondContact O-CB 3.42Å; F320-W324 PolarHBondContact O-N 3.03Å |
| 321 | I | 89.9 | Confident | 85.1 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.195 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -47.9 | 177.8 | -67.3 | 166 | 0 | 0 | 0 | 111.1 | N24 I28 I317 T318 L319 W324 L325 | N24-I321 HydrophobicContact CB-CD1 4.31Å; I28-I321 HydrophobicContact CG1-CG2 4.41Å; I317-I321 HydrophobicContact CG2-CD1 3.92Å; I317-I321 WeakPolarHBondContact O-CG1 3.25Å; I317-I321 PolarHBondContact O-N 3.47Å; T318-I321 PolarHBondContact O-N 3.42Å; L319-I321 VanDerWaalsContact C-N 3.33Å; L319-I321 PolarHBondContact O-N 3.5Å; I321-W324 PolarHBondContact O-N 2.96Å; I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.31Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.27Å; I321-L325 PolarHBondContact O-N 3.39Å |
| 322 | I | 88.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | -178.2 | -66 | 171.4 | 0 | 0 | 0 | 110.6 | I23 F277 L280 L281 T284 T318 L319 L325 Y326 | I23-I322 HydrophobicContact CG2-CD1 4.03Å; F277-I322 HydrophobicContact CD1-CG2 3.59Å; F277-I322 HydrophobicContact CE1-CB 4.48Å; F277-I322 HydrophobicContact CE1-CG2 3.85Å; F277-I322 WeakPolarHBondContact CE1-O 3.31Å; L280-I322 HydrophobicContact CB-CD1 4.47Å; L281-I322 HydrophobicContact CD1-CG2 4.46Å; L281-I322 HydrophobicContact CD2-CG2 4.2Å; L281-I322 HydrophobicContact CG-CG2 3.84Å; T284-I322 WeakPolarHBondContact OG1-CD1 3.31Å; T318-I322 HydrophobicContact CG2-CD1 3.58Å; T318-I322 HydrophobicContact CG2-CG1 4.26Å; T318-I322 VanDerWaalsContact O-CG1 3.28Å; T318-I322 WeakPolarHBondContact O-CG1 3.43Å; T318-I322 PolarHBondContact O-N 2.88Å; L319-I322 PolarHBondContact O-N 3.25Å; I322-L325 PolarHBondContact O-N 3.42Å; I322-Y326 WeakPolarHBondContact O-CB 3.44Å; I322-Y326 PolarHBondContact O-N 3.36Å |
| 323 | I | 86.3 | Confident | 82.7 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 18% | 0.179 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 177.8 | -66.1 | 168.1 | 0 | 0 | 0 | 110.7 | L319 Y326 G327 L328 L331 | L319-I323 HydrophobicContact CB-CD1 4.39Å; L319-I323 HydrophobicContact CD2-CD1 4.16Å; L319-I323 VanDerWaalsContact O-CB 3.28Å; L319-I323 WeakPolarHBondContact O-CB 3.02Å; L319-I323 WeakPolarHBondContact O-CD1 2.97Å; L319-I323 WeakPolarHBondContact O-CG1 3.5Å; L319-I323 PolarHBondContact O-N 2.84Å; I323-Y326 PolarHBondContact O-N 3.28Å; I323-G327 CarbonylContact O-C 3.45Å; I323-G327 WeakPolarHBondContact O-CA 3.47Å; I323-G327 PolarHBondContact O-N 2.93Å; I323-L328 HydrophobicContact CG2-CD2 4.09Å; I323-L328 HydrophobicContact CG2-CG 3.78Å; I323-L331 HydrophobicContact CG1-CD1 4.18Å; I323-L331 HydrophobicContact CG1-CD2 4.46Å; I323-L331 HydrophobicContact CG2-CD2 4.47Å |
| 324 | W | 85.5 | Confident | 81.6 | Confident | 178 Ų | 178 | 58.4 Ų | 58.4 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 177.9 | -179.9 | 71.5 | 0 | 0 | 0 | 111.8 | F320 I321 Y326 G327 | F320-W324 WeakPolarHBondContact O-CB 3.42Å; F320-W324 PolarHBondContact O-N 3.03Å; I321-W324 PolarHBondContact O-N 2.96Å; W324-Y326 VanDerWaalsContact C-N 3.35Å; W324-G327 PolarHBondContact O-N 3.3Å |
| 325 | L | 84.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.3 | -35.1 | 175.3 | -69.3 | 173 | 0 | 0 | 0 | 112.6 | I28 Y31 F277 I321 I322 | I28-L325 HydrophobicContact CG1-CD1 4.03Å; Y31-L325 HydrophobicContact CD1-CD2 3.78Å; Y31-L325 HydrophobicContact CD2-CB 4.32Å; Y31-L325 HydrophobicContact CD2-CD2 4.19Å; Y31-L325 HydrophobicContact CE1-CD2 4.12Å; Y31-L325 WeakPolarHBondContact CE2-O 3.46Å; Y31-L325 HydrophobicContact CG-CD2 3.81Å; F277-L325 HydrophobicContact CE1-CB 3.58Å; F277-L325 HydrophobicContact CE1-CD1 4.27Å; F277-L325 HydrophobicContact CZ-CB 3.62Å; F277-L325 HydrophobicContact CZ-CD1 3.93Å; F277-L325 HydrophobicContact CZ-CG 4.43Å; I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.31Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.27Å; I321-L325 PolarHBondContact O-N 3.39Å; I322-L325 PolarHBondContact O-N 3.42Å |
| 326 | Y | 81.8 | Confident | 79 | Confident | 11 Ų | 11 | 63 Ų | 63 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73 | -30.6 | 176.3 | -169.8 | -98.8 | 0 | 0 | 0 | 113.1 | F262 F273 Q274 F277 I322 I323 W324 N330 L331 Q334 | F262-Y326 HydrophobicContact CE1-CD2 4.25Å; F262-Y326 AromaticContact CE1-CE2 3.96Å; F262-Y326 HydrophobicContact CE1-CE2 3.96Å; F262-Y326 HydrophobicContact CZ-CE1 4.47Å; F262-Y326 AromaticContact CZ-CE2 3.99Å; F262-Y326 HydrophobicContact CZ-CE2 3.99Å; F262-Y326 AromaticContact CZ-CZ 3.86Å; F273-Y326 HydrophobicContact CD1-CD2 4.41Å; F273-Y326 HydrophobicContact CD1-CE2 4.49Å; F273-Y326 AromaticContact CE1-CD2 3.7Å; F273-Y326 HydrophobicContact CE1-CD2 3.7Å; F273-Y326 HydrophobicContact CE1-CE2 4.18Å; F273-Y326 HydrophobicContact CZ-CD2 4.34Å; Q274-Y326 HydrophobicContact CG-CE2 4.24Å; F277-Y326 HydrophobicContact CB-CD2 3.75Å; F277-Y326 HydrophobicContact CB-CE2 4.24Å; F277-Y326 HydrophobicContact CD1-CD2 4.18Å; F277-Y326 HydrophobicContact CG-CD2 4.1Å; I322-Y326 WeakPolarHBondContact O-CB 3.44Å; I322-Y326 PolarHBondContact O-N 3.36Å; I323-Y326 PolarHBondContact O-N 3.28Å; W324-Y326 VanDerWaalsContact C-N 3.35Å; Y326-N330 HydrophobicContact CD1-CB 3.9Å; Y326-N330 HydrophobicContact CE1-CB 3.66Å; Y326-N330 PolarHBondContact O-ND2 3.1Å; Y326-L331 HydrophobicContact CD1-CB 3.9Å; Y326-L331 HydrophobicContact CD1-CD1 4.1Å; Y326-L331 HydrophobicContact CE1-CB 4.19Å; Y326-Q334 WeakPolarHBondContact OH-CG 3.28Å |
| 327 | G | 77.5 | Confident | 77.3 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | trans | 94.7 | 120.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I323 W324 N329 N330 L331 | I323-G327 CarbonylContact O-C 3.45Å; I323-G327 WeakPolarHBondContact O-CA 3.47Å; I323-G327 PolarHBondContact O-N 2.93Å; W324-G327 PolarHBondContact O-N 3.3Å; G327-N329 VanDerWaalsContact C-N 3.32Å; G327-N329 PolarHBondContact O-N 3.25Å; G327-N330 WeakPolarHBondContact O-CB 3.41Å; G327-N330 PolarHBondContact O-N 2.92Å; G327-N330 VanDerWaalsContact O-N 3.14Å; G327-L331 PolarHBondContact O-N 3.43Å | ||
| 328 | L | 75 | Confident | 75.9 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.3 | -43.7 | 178.3 | -108.9 | 156.2 | 0 | 0 | 0 | 112.4 | I323 L331 W332 | I323-L328 HydrophobicContact CG2-CD2 4.09Å; I323-L328 HydrophobicContact CG2-CG 3.78Å; L328-L331 PolarHBondContact O-N 3.46Å; L328-W332 PolarHBondContact O-N 3.26Å |
| 329 | N | 64.2 | Low | 74.2 | Confident | 124 Ų | 124 | 66.8 Ų | 66.8 | 66% | 0.663 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 176.5 | -91.7 | 2.3 | 0 | 0 | 0 | 112 | G327 L331 W332 I333 | G327-N329 VanDerWaalsContact C-N 3.32Å; G327-N329 PolarHBondContact O-N 3.25Å; N329-L331 VanDerWaalsContact C-N 3.3Å; N329-L331 PolarHBondContact O-N 3Å; N329-W332 PolarHBondContact O-N 2.94Å; N329-I333 VanDerWaalsContact O-CG1 3.25Å; N329-I333 WeakPolarHBondContact O-CG1 3.5Å; N329-I333 PolarHBondContact O-N 2.9Å |
| 330 | N | 68.1 | Low | 72.1 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.9 | -64.6 | -23 | 0 | 0 | 0 | 111.2 | I260 R261 F262 Y326 G327 I333 Q334 | I260-N330 HydrophobicContact CG2-CB 3.8Å; I260-N330 WeakPolarHBondContact CG2-OD1 3.5Å; R261-N330 PolarHBondContact N-OD1 3.13Å; R261-N330 PolarHBondContact O-ND2 3.43Å; R261-N330 PolarHBondContact O-OD1 2.95Å; F262-N330 HydrophobicContact CE1-CB 4.25Å; F262-N330 WeakPolarHBondContact CE1-ND2 3.25Å; F262-N330 HydrophobicContact CZ-CB 4.34Å; Y326-N330 HydrophobicContact CD1-CB 3.9Å; Y326-N330 HydrophobicContact CE1-CB 3.66Å; Y326-N330 PolarHBondContact O-ND2 3.1Å; G327-N330 WeakPolarHBondContact O-CB 3.41Å; G327-N330 PolarHBondContact O-N 2.92Å; G327-N330 VanDerWaalsContact O-N 3.14Å; N330-I333 PolarHBondContact O-N 3.36Å; N330-Q334 WeakPolarHBondContact O-CB 3.5Å; N330-Q334 WeakPolarHBondContact O-CG 3.38Å; N330-Q334 PolarHBondContact O-N 3.34Å |
| 331 | L | 72.7 | Confident | 69.8 | Low | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.8 | -165.5 | 113.1 | 0 | 0 | 0 | 111 | L281 I323 Y326 G327 L328 N329 Q334 L335 | L281-L331 HydrophobicContact CD1-CD1 4.03Å; I323-L331 HydrophobicContact CG1-CD1 4.18Å; I323-L331 HydrophobicContact CG1-CD2 4.46Å; I323-L331 HydrophobicContact CG2-CD2 4.47Å; Y326-L331 HydrophobicContact CD1-CB 3.9Å; Y326-L331 HydrophobicContact CD1-CD1 4.1Å; Y326-L331 HydrophobicContact CE1-CB 4.19Å; G327-L331 PolarHBondContact O-N 3.43Å; L328-L331 PolarHBondContact O-N 3.46Å; N329-L331 VanDerWaalsContact C-N 3.3Å; N329-L331 PolarHBondContact O-N 3Å; L331-Q334 PolarHBondContact O-N 2.86Å; L331-L335 HydrophobicContact CD2-CD1 3.54Å; L331-L335 HydrophobicContact CD2-CG 4.4Å; L331-L335 HydrophobicContact CG-CD1 4.08Å; L331-L335 HydrophobicContact CG-CG 4.43Å; L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 2.84Å |
| 332 | W | 66.4 | Low | 67.5 | Low | 167 Ų | 167 | 68.8 Ų | 68.8 | 63% | 0.633 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.8 | -46.7 | 175.2 | -99.1 | 103.9 | 0 | 0 | 0 | 112.2 | L328 N329 Q334 L335 F336 | L328-W332 PolarHBondContact O-N 3.26Å; N329-W332 PolarHBondContact O-N 2.94Å; W332-Q334 VanDerWaalsContact C-N 3.34Å; W332-Q334 PolarHBondContact O-N 2.66Å; W332-L335 PolarHBondContact O-N 2.91Å; W332-F336 WeakPolarHBondContact O-CB 3.34Å; W332-F336 PolarHBondContact O-N 3.02Å |
| 333 | I | 62.2 | Low | 65.1 | Low | 21 Ų | 21 | 76.4 Ų | 76.4 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 177 | -66.4 | 162.1 | 0 | 0 | 0 | 110.3 | I260 N329 N330 F336 N337 | I260-I333 HydrophobicContact CD1-CG2 4.35Å; I260-I333 HydrophobicContact CG1-CB 4.44Å; I260-I333 HydrophobicContact CG1-CG2 3.81Å; N329-I333 VanDerWaalsContact O-CG1 3.25Å; N329-I333 WeakPolarHBondContact O-CG1 3.5Å; N329-I333 PolarHBondContact O-N 2.9Å; N330-I333 PolarHBondContact O-N 3.36Å; I333-F336 WeakPolarHBondContact O-CB 3.34Å; I333-F336 PolarHBondContact O-N 2.77Å; I333-N337 WeakPolarHBondContact O-CB 3.17Å; I333-N337 PolarHBondContact O-N 2.9Å; I333-N337 PolarHBondContact O-ND2 3.14Å |
| 334 | Q | 67.9 | Low | 62.6 | Low | 52 Ų | 52 | 82.4 Ų | 82.4 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 178.5 | -84 | -82.1 | 3.9 | 0 | 0 | 113 | I260 Y326 N330 L331 W332 F336 N337 L338 | I260-Q334 HydrophobicContact CD1-CG 4.01Å; Y326-Q334 WeakPolarHBondContact OH-CG 3.28Å; N330-Q334 WeakPolarHBondContact O-CB 3.5Å; N330-Q334 WeakPolarHBondContact O-CG 3.38Å; N330-Q334 PolarHBondContact O-N 3.34Å; L331-Q334 PolarHBondContact O-N 2.86Å; W332-Q334 VanDerWaalsContact C-N 3.34Å; W332-Q334 PolarHBondContact O-N 2.66Å; Q334-F336 VanDerWaalsContact C-N 3.32Å; Q334-N337 PolarHBondContact O-N 3.38Å; Q334-L338 WeakPolarHBondContact O-CB 3.48Å; Q334-L338 PolarHBondContact O-N 2.83Å |
| 335 | L | 66.6 | Low | 60.1 | Low | 73 Ų | 73 | 83.6 Ų | 83.6 | 38% | 0.382 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.2 | -70.7 | 170.2 | 0 | 0 | 0 | 110.8 | L331 W332 N337 L338 F339 | L331-L335 HydrophobicContact CD2-CD1 3.54Å; L331-L335 HydrophobicContact CD2-CG 4.4Å; L331-L335 HydrophobicContact CG-CD1 4.08Å; L331-L335 HydrophobicContact CG-CG 4.43Å; L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 2.84Å; W332-L335 PolarHBondContact O-N 2.91Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.41Å; L335-L338 PolarHBondContact O-N 2.91Å; L335-F339 HydrophobicContact CB-CD2 4.3Å; L335-F339 HydrophobicContact CD2-CD2 4.34Å; L335-F339 HydrophobicContact CD2-CE2 3.79Å; L335-F339 WeakPolarHBondContact O-CB 3.34Å; L335-F339 VanDerWaalsContact O-CD2 3.23Å; L335-F339 WeakPolarHBondContact O-CD2 3.48Å; L335-F339 PolarHBondContact O-N 2.81Å |
| 336 | F | 60.3 | Low | 57.8 | Low | 68 Ų | 68 | 88.2 Ų | 88.2 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.8 | -48.2 | 174.5 | -169.6 | -91.4 | 0 | 0 | 0 | 110.3 | W332 I333 Q334 L340 V348 M423 | W332-F336 WeakPolarHBondContact O-CB 3.34Å; W332-F336 PolarHBondContact O-N 3.02Å; I333-F336 WeakPolarHBondContact O-CB 3.34Å; I333-F336 PolarHBondContact O-N 2.77Å; Q334-F336 VanDerWaalsContact C-N 3.32Å; F336-L340 HydrophobicContact CD1-CD1 3.7Å; F336-L340 HydrophobicContact CD2-CD1 3.34Å; F336-L340 HydrophobicContact CE1-CD1 3.53Å; F336-L340 HydrophobicContact CE2-CD1 3.15Å; F336-L340 HydrophobicContact CG-CD1 3.62Å; F336-L340 HydrophobicContact CZ-CD1 3.26Å; F336-L340 VanDerWaalsContact O-CB 3.25Å; F336-L340 WeakPolarHBondContact O-CB 3.5Å; F336-L340 PolarHBondContact O-N 3.46Å; F336-V348 HydrophobicContact CE1-CG1 4.03Å; F336-V348 HydrophobicContact CZ-CG1 4.21Å; F336-M423 HydrophobicContact CE1-CE 4.5Å |
| 337 | N | 57.8 | Low | 55.8 | Low | 39 Ų | 39 | 89.2 Ų | 89.2 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 175.2 | -72.4 | -13.6 | 0 | 0 | 0 | 111.9 | I333 Q334 L335 F339 I341 | I333-N337 WeakPolarHBondContact O-CB 3.17Å; I333-N337 PolarHBondContact O-N 2.9Å; I333-N337 PolarHBondContact O-ND2 3.14Å; Q334-N337 PolarHBondContact O-N 3.38Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.41Å; N337-F339 PolarHBondContact O-N 3.05Å; N337-I341 HydrophobicContact CB-CD1 3.65Å; N337-I341 HydrophobicContact CB-CG1 4.5Å; N337-I341 WeakPolarHBondContact O-CA 3.39Å; N337-I341 WeakPolarHBondContact O-CB 3.46Å; N337-I341 WeakPolarHBondContact O-CD1 3.48Å; N337-I341 WeakPolarHBondContact O-CG1 3.06Å; N337-I341 PolarHBondContact O-N 2.95Å |
| 338 | L | 64 | Low | 53.9 | Low | 111 Ų | 111 | 89.3 Ų | 89.3 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | -178.2 | -119.5 | 143.9 | 0 | 0 | 0 | 112.9 | Q334 L335 S342 | Q334-L338 WeakPolarHBondContact O-CB 3.48Å; Q334-L338 PolarHBondContact O-N 2.83Å; L335-L338 PolarHBondContact O-N 2.91Å; L338-S342 WeakPolarHBondContact O-CB 3.4Å; L338-S342 PolarHBondContact O-OG 3.39Å |
| 339 | F | 55 | Low | 52.2 | Low | 147 Ų | 147 | 86.9 Ų | 86.9 | 65% | 0.645 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -85.3 | -24.1 | -175.6 | -73.7 | -67.4 | 0 | 0 | 0 | 113.9 | L335 N337 | L335-F339 HydrophobicContact CB-CD2 4.3Å; L335-F339 HydrophobicContact CD2-CD2 4.34Å; L335-F339 HydrophobicContact CD2-CE2 3.79Å; L335-F339 WeakPolarHBondContact O-CB 3.34Å; L335-F339 VanDerWaalsContact O-CD2 3.23Å; L335-F339 WeakPolarHBondContact O-CD2 3.48Å; L335-F339 PolarHBondContact O-N 2.81Å; N337-F339 PolarHBondContact O-N 3.05Å |
| 340 | L | 48.3 | Very low | 51 | Low | 75 Ų | 75 | 83.6 Ų | 83.6 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -97.3 | -29.4 | 176.1 | -76.5 | 146.1 | 0 | 0 | 0 | 113.6 | F336 V348 | F336-L340 HydrophobicContact CD1-CD1 3.7Å; F336-L340 HydrophobicContact CD2-CD1 3.34Å; F336-L340 HydrophobicContact CE1-CD1 3.53Å; F336-L340 HydrophobicContact CE2-CD1 3.15Å; F336-L340 HydrophobicContact CG-CD1 3.62Å; F336-L340 HydrophobicContact CZ-CD1 3.26Å; F336-L340 VanDerWaalsContact O-CB 3.25Å; F336-L340 WeakPolarHBondContact O-CB 3.5Å; F336-L340 PolarHBondContact O-N 3.46Å; L340-V348 HydrophobicContact CB-CG2 4.35Å |
| 341 | I | 44 | Very low | 49.7 | Very low | 82 Ų | 82 | 88.5 Ų | 88.5 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -78.4 | -23.5 | 178.6 | -58.3 | 169.2 | 0 | 0 | 0 | 111.3 | N337 H343 | N337-I341 HydrophobicContact CB-CD1 3.65Å; N337-I341 HydrophobicContact CB-CG1 4.5Å; N337-I341 WeakPolarHBondContact O-CA 3.39Å; N337-I341 WeakPolarHBondContact O-CB 3.46Å; N337-I341 WeakPolarHBondContact O-CD1 3.48Å; N337-I341 WeakPolarHBondContact O-CG1 3.06Å; N337-I341 PolarHBondContact O-N 2.95Å; I341-H343 PolarHBondContact O-N 3.36Å |
| 342 | S | 41.6 | Very low | 48.2 | Very low | 83 Ų | 83 | 88.3 Ų | 88.3 | 58% | 0.58 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -14.6 | 177.1 | 54 | 0 | 0 | 0 | 0 | 114 | L338 | L338-S342 WeakPolarHBondContact O-CB 3.4Å; L338-S342 PolarHBondContact O-OG 3.39Å |
| 343 | H | 37 | Very low | 46.8 | Very low | 159 Ų | 159 | 87 Ų | 87 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -117.9 | 94.8 | 171 | -80.8 | -46.3 | 0 | 0 | 0 | 110.3 | I341 | I341-H343 PolarHBondContact O-N 3.36Š|
| 344 | H | 34.2 | Very low | 45.5 | Very low | 162 Ų | 162 | 91.8 Ų | 91.8 | 75% | 0.75 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 82.1 | 110.9 | 179.4 | -71.6 | -69.1 | 0 | 0 | 0 | 116.9 | N346 | H344-N346 PolarHBondContact O-N 2.83Š|
| 345 | Y | 33.1 | Very low | 43.9 | Very low | 203 Ų | 203 | 97 Ų | 97 | 80% | 0.796 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -2.7 | 113.1 | 150.4 | -91.5 | -97.3 | 0 | 0 | 0 | 115.6 | D347 | Y345-D347 PolarHBondContact O-N 3.12Š|
| 346 | N | 35.9 | Very low | 42.3 | Very low | 110 Ų | 110 | 97.7 Ų | 97.7 | 59% | 0.588 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 5.8 | 148.8 | -76.6 | -6.7 | 0 | 0 | 0 | 120.9 | H344 | H344-N346 PolarHBondContact O-N 2.83Š|
| 347 | D | 39 | Very low | 41.2 | Very low | 33 Ų | 33 | 98.6 Ų | 98.6 | 18% | 0.176 | 48% | 0.484 | C | S | . | . | trans | -140 | 84.4 | -172.7 | -61.4 | -69.4 | 0 | 0 | 0 | 109 | R234 Y345 V349 Y422 | R234-D347 IonicContact CZ-OD1 3.18Å; R234-D347 IonicContact CZ-OD2 3Å; R234-D347 IonicContact NH1-OD2 3.1Å; R234-D347 PolarHBondContact NH1-OD2 3.4Å; R234-D347 IonicContact NH2-OD1 3.67Å; R234-D347 PolarHBondContact NH2-OD1 3.18Å; R234-D347 IonicContact NH2-OD2 2.67Å; R234-D347 PolarHBondContact NH2-OD2 3.29Å; Y345-D347 PolarHBondContact O-N 3.12Å; D347-V349 HydrophobicContact CB-CG2 3.91Å; D347-V349 PolarHBondContact O-N 2.93Å; D347-Y422 HydrophobicContact CB-CD1 4.45Å; D347-Y422 HydrophobicContact CB-CE1 3.91Å; D347-Y422 WeakPolarHBondContact OD1-CE1 3.48Å | ||
| 348 | V | 39 | Very low | 40.5 | Very low | 22 Ų | 22 | 100.3 Ų | 100.3 | 13% | 0.133 | 49% | 0.488 | C | S | . | . | trans | -68.1 | 85.9 | 163.2 | -178.6 | 0 | 0 | 0 | 0 | 106.3 | F336 L340 I350 M423 | F336-V348 HydrophobicContact CE1-CG1 4.03Å; F336-V348 HydrophobicContact CZ-CG1 4.21Å; L340-V348 HydrophobicContact CB-CG2 4.35Å; V348-I350 HydrophobicContact CG1-CG1 4.07Å; V348-I350 PolarHBondContact O-N 3.12Å; V348-M423 HydrophobicContact CB-CG 4.3Å | ||
| 349 | V | 38.6 | Very low | 39.5 | Very low | 51 Ų | 51 | 95.1 Ų | 95.1 | 31% | 0.309 | 46% | 0.461 | S | S | . | . | trans | -84.9 | 94.8 | 170.6 | 176.3 | 0 | 0 | 0 | 0 | 105.9 | D347 Q351 T420 Y422 | D347-V349 HydrophobicContact CB-CG2 3.91Å; D347-V349 PolarHBondContact O-N 2.93Å; V349-Q351 HydrophobicContact CG1-CB 3.92Å; V349-Q351 HydrophobicContact CG1-CG 3.68Å; V349-Q351 PolarHBondContact O-N 2.97Å; V349-T420 HydrophobicContact CB-CG2 4.01Å; V349-T420 HydrophobicContact CG1-CG2 3.35Å; V349-T420 HydrophobicContact CG2-CG2 4.46Å; V349-Y422 HydrophobicContact CG2-CE1 3.75Å; V349-Y422 HydrophobicContact CG2-CE2 4.09Å; V349-Y422 VanDerWaalsContact CG2-CZ 3.46Å; V349-Y422 VanDerWaalsContact CG2-OH 3.28Å; V349-Y422 WeakPolarHBondContact CG2-OH 3.22Å | ||
| 350 | I | 40.2 | Very low | 39.1 | Very low | 55 Ų | 55 | 95.1 Ų | 95.1 | 28% | 0.282 | 46% | 0.461 | S | S | . | . | trans | -75.5 | 83.4 | 162.8 | -51.8 | 178.9 | 0 | 0 | 0 | 106.2 | V348 L352 | V348-I350 HydrophobicContact CG1-CG1 4.07Å; V348-I350 PolarHBondContact O-N 3.12Å; I350-L352 HydrophobicContact CG2-CD2 3.9Å; I350-L352 HydrophobicContact CG2-CG 4.06Å; I350-L352 PolarHBondContact O-N 3.39Å | ||
| 351 | Q | 39.5 | Very low | 39 | Very low | 116 Ų | 116 | 93 Ų | 93 | 54% | 0.542 | 45% | 0.45 | S | S | . | . | trans | -74.6 | 109.3 | 171.1 | -115.8 | 178.5 | 2.6 | 0 | 0 | 107.7 | V349 N353 | V349-Q351 HydrophobicContact CG1-CB 3.92Å; V349-Q351 HydrophobicContact CG1-CG 3.68Å; V349-Q351 PolarHBondContact O-N 2.97Å; Q351-N353 VanDerWaalsContact C-N 3.35Å; Q351-N353 PolarHBondContact O-N 3.09Å | ||
| 352 | L | 41.6 | Very low | 39 | Very low | 26 Ų | 26 | 90.1 Ų | 90.1 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | trans | -85.3 | 82.9 | -174.7 | -69.2 | 148.4 | 0 | 0 | 0 | 108.7 | I350 N354 Y357 I418 | I350-L352 HydrophobicContact CG2-CD2 3.9Å; I350-L352 HydrophobicContact CG2-CG 4.06Å; I350-L352 PolarHBondContact O-N 3.39Å; L352-N354 PolarHBondContact O-N 3.27Å; L352-Y357 HydrophobicContact CD1-CD1 4.06Å; L352-Y357 HydrophobicContact CD1-CD2 4.36Å; L352-Y357 HydrophobicContact CD1-CG 3.63Å; L352-Y357 HydrophobicContact CD2-CD2 3.54Å; L352-Y357 HydrophobicContact CD2-CE2 4.42Å; L352-Y357 HydrophobicContact CD2-CG 3.71Å; L352-Y357 HydrophobicContact CG-CG 4.24Å; L352-I418 HydrophobicContact CD1-CB 4.46Å; L352-I418 HydrophobicContact CD1-CG2 4.15Å; L352-I418 WeakPolarHBondContact CD1-O 3.31Å | ||
| 353 | N | 36.3 | Very low | 39.7 | Very low | 138 Ų | 138 | 87.7 Ų | 87.7 | 74% | 0.738 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -58.8 | 97.5 | 174.6 | -77.9 | -7.7 | 0 | 0 | 0 | 110.1 | Q351 K355 | Q351-N353 VanDerWaalsContact C-N 3.35Å; Q351-N353 PolarHBondContact O-N 3.09Å; N353-K355 PolarHBondContact O-N 2.9Å |
| 354 | N | 36.2 | Very low | 40.8 | Very low | 122 Ų | 122 | 80.2 Ų | 80.2 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 53.4 | 15.3 | 175.6 | -70.8 | -17.3 | 0 | 0 | 0 | 116.6 | L352 | L352-N354 PolarHBondContact O-N 3.27Š|
| 355 | K | 33.1 | Very low | 42.4 | Very low | 163 Ų | 163 | 72.8 Ų | 72.8 | 71% | 0.709 | 35% | 0.346 | S | S | * | . | trans | -99.2 | 117.4 | 171.4 | -72.4 | -174.6 | 179.2 | 179.3 | 0 | 108.4 | N353 Y357 | N353-K355 PolarHBondContact O-N 2.9Å; K355-Y357 VanDerWaalsContact C-N 3.32Å; K355-Y357 PolarHBondContact O-N 3.31Å | ||
| 356 | L | 34 | Very low | 44.6 | Very low | 86 Ų | 86 | 63.1 Ų | 63.1 | 45% | 0.45 | 31% | 0.308 | S | S | . | . | trans | -57.5 | 96.5 | 170.7 | -79.6 | 153.4 | 0 | 0 | 0 | 108.8 | Y358 | L356-Y358 HydrophobicContact CB-CE1 4.14Å; L356-Y358 HydrophobicContact CB-CE2 4.1Å; L356-Y358 HydrophobicContact CD2-CE1 3.88Å | ||
| 357 | Y | 37.2 | Very low | 46.9 | Very low | 88 Ų | 88 | 58.2 Ų | 58.2 | 35% | 0.345 | 28% | 0.282 | S | S | . | . | trans | -93.2 | 113.2 | 167.8 | -153.7 | -101.2 | 0 | 0 | 0 | 106.7 | L352 K355 | L352-Y357 HydrophobicContact CD1-CD1 4.06Å; L352-Y357 HydrophobicContact CD1-CD2 4.36Å; L352-Y357 HydrophobicContact CD1-CG 3.63Å; L352-Y357 HydrophobicContact CD2-CD2 3.54Å; L352-Y357 HydrophobicContact CD2-CE2 4.42Å; L352-Y357 HydrophobicContact CD2-CG 3.71Å; L352-Y357 HydrophobicContact CG-CG 4.24Å; K355-Y357 VanDerWaalsContact C-N 3.32Å; K355-Y357 PolarHBondContact O-N 3.31Å | ||
| 358 | Y | 42.8 | Very low | 49.2 | Very low | 75 Ų | 75 | 56.7 Ų | 56.7 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -81.9 | 137.5 | 168.2 | -55.1 | -57.4 | 0 | 0 | 0 | 106.6 | L356 K360 I412 | L356-Y358 HydrophobicContact CB-CE1 4.14Å; L356-Y358 HydrophobicContact CB-CE2 4.1Å; L356-Y358 HydrophobicContact CD2-CE1 3.88Å; Y358-K360 PolarHBondContact O-N 3.39Å; Y358-I412 HydrophobicContact CD1-CB 4.07Å; Y358-I412 HydrophobicContact CD1-CD1 4.15Å; Y358-I412 HydrophobicContact CD1-CG1 3.09Å; Y358-I412 HydrophobicContact CD2-CD1 4.31Å; Y358-I412 HydrophobicContact CD2-CG1 3.82Å; Y358-I412 HydrophobicContact CE1-CB 3.78Å; Y358-I412 HydrophobicContact CE1-CG1 3.27Å; Y358-I412 HydrophobicContact CE1-CG2 4.27Å; Y358-I412 HydrophobicContact CE2-CG1 3.94Å; Y358-I412 HydrophobicContact CG-CD1 3.96Å; Y358-I412 HydrophobicContact CG-CG1 3.36Å | ||
| 359 | P | 43.5 | Very low | 51.4 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | trans | -54.8 | 115.1 | 170.2 | 18.1 | -19.3 | 0 | 0 | 0 | 104.2 | M250 M361 I364 T408 F411 I418 | M250-P359 HydrophobicContact CE-CB 4.41Å; P359-M361 PolarHBondContact O-N 3.22Å; P359-I364 HydrophobicContact CB-CD1 3.78Å; P359-I364 HydrophobicContact CB-CG1 4.41Å; P359-I364 HydrophobicContact CG-CD1 4.18Å; P359-T408 HydrophobicContact CG-CG2 4.11Å; P359-T408 WeakPolarHBondContact CG-OG1 3.45Å; P359-T408 VanDerWaalsContact O-CG2 3.24Å; P359-T408 WeakPolarHBondContact O-CG2 3.3Å; P359-T408 PolarHBondContact O-OG1 2.96Å; P359-F411 HydrophobicContact CG-CD2 4.41Å; P359-I418 HydrophobicContact CB-CD1 3.48Å; P359-I418 VanDerWaalsContact CB-CD1 3.48Å; P359-I418 HydrophobicContact CG-CD1 3.47Å; P359-I418 VanDerWaalsContact CG-CD1 3.47Å; P359-I418 HydrophobicContact CG-CG1 4.47Å; P359-I418 VanDerWaalsContact N-CD1 3.35Å | ||
| 360 | K | 45.3 | Very low | 53.7 | Low | 147 Ų | 147 | 54.2 Ų | 54.2 | 64% | 0.639 | 26% | 0.259 | S | S | * | . | trans | -52.9 | 127.5 | 165.9 | -81.1 | -175.4 | 176.3 | 178.1 | 0 | 103.5 | Y358 D362 | Y358-K360 PolarHBondContact O-N 3.39Å; K360-D362 PolarHBondContact O-N 3.39Å | ||
| 361 | M | 45.9 | Very low | 55.9 | Low | 32 Ų | 32 | 51.7 Ų | 51.7 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -60.4 | 15 | -166.2 | -78.2 | -172.9 | 173.8 | 0 | 0 | 114.7 | P359 M363 E400 T404 Q405 T408 | P359-M361 PolarHBondContact O-N 3.22Å; M361-M363 PolarHBondContact O-N 3.04Å; M361-E400 HydrophobicContact CB-CB 4.11Å; M361-E400 HydrophobicContact CB-CG 4Å; M361-E400 WeakPolarHBondContact CB-OE2 3.38Å; M361-T404 WeakPolarHBondContact O-CG2 3.13Å; M361-Q405 HydrophobicContact CB-CG 4.13Å; M361-Q405 VanDerWaalsContact CE-CA 3.48Å; M361-Q405 HydrophobicContact CE-CB 3.49Å; M361-Q405 VanDerWaalsContact CE-CB 3.49Å; M361-Q405 HydrophobicContact CE-CG 4.08Å; M361-Q405 WeakPolarHBondContact CE-O 3.41Å; M361-Q405 HydrophobicContact CG-CB 4.19Å; M361-Q405 HydrophobicContact CG-CG 3.99Å; M361-Q405 VanDerWaalsContact SD-CA 3.58Å; M361-Q405 HydrophobicContact SD-CB 3.35Å; M361-Q405 WeakPolarHBondContact SD-CB 3.32Å; M361-Q405 VanDerWaalsContact SD-CD 3.51Å; M361-Q405 HydrophobicContact SD-CG 3.21Å; M361-Q405 WeakPolarHBondContact SD-CG 3.49Å; M361-Q405 PolarHBondContact SD-OE1 3.3Å; M361-Q405 VanDerWaalsContact SD-OE1 3.35Å; M361-T408 HydrophobicContact CE-CG2 4.18Å; M361-T408 HydrophobicContact CG-CG2 3.94Å |
| 362 | D | 44.7 | Very low | 58 | Low | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -87.1 | 98 | -176.1 | -59 | -55.8 | 0 | 0 | 0 | 110.6 | S255 K257 K360 I364 | S255-D362 PolarHBondContact OG-O 2.88Å; S255-D362 VanDerWaalsContact OG-O 3.11Å; K257-D362 HydrophobicContact CD-CB 3.82Å; K257-D362 WeakPolarHBondContact CD-OD2 3.15Å; K257-D362 VanDerWaalsContact CE-OD1 3.23Å; K257-D362 WeakPolarHBondContact CE-OD1 3.49Å; K257-D362 VanDerWaalsContact CE-OD2 3.28Å; K257-D362 WeakPolarHBondContact CE-OD2 3.49Å; K257-D362 HydrophobicContact CG-CB 4.21Å; K257-D362 IonicContact NZ-OD1 2.81Å; K257-D362 PolarHBondContact NZ-OD1 2.87Å; K257-D362 IonicContact NZ-OD2 3.25Å; K257-D362 PolarHBondContact NZ-OD2 3.31Å; K360-D362 PolarHBondContact O-N 3.39Å; D362-I364 PolarHBondContact O-N 2.88Å |
| 363 | M | 57.4 | Low | 60 | Low | 32 Ų | 32 | 48.9 Ų | 48.9 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | trans | 40.3 | 66.5 | 159.9 | -56.2 | -152.7 | -154.1 | 0 | 0 | 114.7 | Y256 M361 M365 | Y256-M363 HydrophobicContact CD1-CE 3.79Å; Y256-M363 HydrophobicContact CD1-CG 4.47Å; Y256-M363 HydrophobicContact CD1-SD 3.55Å; Y256-M363 VanDerWaalsContact CD1-SD 3.55Å; Y256-M363 HydrophobicContact CE1-CE 3.93Å; Y256-M363 HydrophobicContact CE1-SD 4.09Å; Y256-M363 HydrophobicContact CG-SD 4.15Å; M361-M363 PolarHBondContact O-N 3.04Å; M363-M365 PolarHBondContact O-N 3.47Å; M363-M365 HydrophobicContact SD-CE 4.25Å | ||
| 364 | I | 59.3 | Low | 62.4 | Low | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128.9 | 168.4 | -51.3 | 171.2 | 0 | 0 | 0 | 108.2 | M250 Q252 P359 D362 N367 Y403 T404 | M250-I364 HydrophobicContact CE-CD1 3.92Å; M250-I364 HydrophobicContact SD-CD1 4.45Å; Q252-I364 HydrophobicContact CG-CG2 4.15Å; P359-I364 HydrophobicContact CB-CD1 3.78Å; P359-I364 HydrophobicContact CB-CG1 4.41Å; P359-I364 HydrophobicContact CG-CD1 4.18Å; D362-I364 PolarHBondContact O-N 2.88Å; I364-N367 WeakPolarHBondContact CG2-ND2 3.34Å; I364-N367 WeakPolarHBondContact CG2-OD1 3.35Å; I364-Y403 PolarHBondContact O-OH 3.44Å; I364-T404 HydrophobicContact CB-CG2 4.37Å; I364-T404 HydrophobicContact CD1-CG2 3.63Å; I364-T404 HydrophobicContact CG1-CG2 3.6Å |
| 365 | M | 68.3 | Low | 64.9 | Low | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | -18.3 | -179.4 | -57.6 | 174.6 | 153.8 | 0 | 0 | 113.9 | I218 K219 M222 Y254 Y256 M363 | I218-M365 WeakPolarHBondContact CA-O 3.37Å; K219-M365 HydrophobicContact CD-CB 4.46Å; K219-M365 HydrophobicContact CD-CG 4.33Å; K219-M365 PolarHBondContact N-O 2.83Å; M222-M365 HydrophobicContact CE-CB 3.54Å; M222-M365 HydrophobicContact CE-CG 4Å; M222-M365 HydrophobicContact CE-SD 3.28Å; M222-M365 WeakPolarHBondContact CE-SD 3.17Å; M222-M365 HydrophobicContact CG-CB 4.4Å; M222-M365 HydrophobicContact SD-CB 3.82Å; Y254-M365 HydrophobicContact CD1-CB 3.98Å; Y254-M365 HydrophobicContact CD1-CG 4.36Å; Y254-M365 HydrophobicContact CD1-SD 4.05Å; Y254-M365 HydrophobicContact CE1-SD 3.77Å; Y256-M365 HydrophobicContact CD2-CE 4.26Å; Y256-M365 HydrophobicContact CG-CE 4.27Å; M363-M365 PolarHBondContact O-N 3.47Å; M363-M365 HydrophobicContact SD-CE 4.25Å |
| 366 | A | 78.3 | Confident | 67.5 | Low | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 124.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | I217 I218 L253 Y254 F426 | I217-A366 CarbonylContact O-C 3.25Å; I217-A366 VanDerWaalsContact O-CA 3.27Å; I217-A366 WeakPolarHBondContact O-CA 3.15Å; I218-A366 HydrophobicContact CG2-CB 3.84Å; L253-A366 WeakPolarHBondContact CA-O 3.35Å; L253-A366 HydrophobicContact CB-CB 4.16Å; L253-A366 WeakPolarHBondContact CB-O 3.23Å; L253-A366 PolarHBondContact N-O 3.39Å; Y254-A366 PolarHBondContact N-O 2.81Å; A366-F426 HydrophobicContact CB-CD2 3.47Å; A366-F426 VanDerWaalsContact CB-CD2 3.47Å; A366-F426 HydrophobicContact CB-CE2 3.69Å; A366-F426 HydrophobicContact CB-CG 4.04Å; A366-F426 HydrophobicContact CB-CZ 4.39Å |
| 367 | N | 84 | Confident | 70 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 141.5 | -178.1 | -75.2 | -16.2 | 0 | 0 | 0 | 113 | L216 I217 M250 I251 Q252 I364 Y369 | L216-N367 CarbonylContact C-O 3.54Å; L216-N367 WeakPolarHBondContact CA-O 2.99Å; L216-N367 WeakPolarHBondContact CD1-O 3.06Å; I217-N367 PolarHBondContact N-O 2.83Å; I217-N367 PolarHBondContact O-N 3.42Å; M250-N367 WeakPolarHBondContact CE-ND2 3.27Å; M250-N367 HydrophobicContact CG-CB 4.27Å; M250-N367 PolarHBondContact SD-ND2 3.3Å; I251-N367 VanDerWaalsContact O-CA 3.32Å; I251-N367 WeakPolarHBondContact O-CA 3.46Å; Q252-N367 VanDerWaalsContact CA-OD1 3.32Å; Q252-N367 WeakPolarHBondContact CA-OD1 3.28Å; I364-N367 WeakPolarHBondContact CG2-ND2 3.34Å; I364-N367 WeakPolarHBondContact CG2-OD1 3.35Å; N367-Y369 HydrophobicContact CB-CD2 4.04Å; N367-Y369 HydrophobicContact CB-CE1 4.44Å; N367-Y369 HydrophobicContact CB-CE2 3.27Å; N367-Y369 PolarHBondContact ND2-OH 3.3Å |
| 368 | L | 87.2 | Confident | 72.4 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.8 | 168.5 | -168.4 | 74.2 | 0 | 0 | 0 | 110.1 | Y214 L216 L232 I251 L253 | Y214-L368 HydrophobicContact CD1-CD2 4.1Å; Y214-L368 HydrophobicContact CD1-CG 4.1Å; L216-L368 HydrophobicContact CB-CD1 3.8Å; L232-L368 HydrophobicContact CD2-CD1 4.22Å; L232-L368 HydrophobicContact CD2-CD2 3.97Å; I251-L368 HydrophobicContact CB-CB 4.17Å; I251-L368 HydrophobicContact CD1-CD2 3.93Å; I251-L368 HydrophobicContact CG1-CB 4.48Å; I251-L368 PolarHBondContact N-O 2.93Å; I251-L368 PolarHBondContact O-N 2.87Å; L253-L368 HydrophobicContact CD1-CB 4.25Å |
| 369 | Y | 85.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 145.3 | 179 | -56.6 | -91.5 | 0 | 0 | 0 | 110.6 | Y214 I215 I217 M250 N367 V374 I377 F411 | Y214-Y369 CarbonylContact C-O 3.53Å; Y214-Y369 VanDerWaalsContact CA-O 3.32Å; Y214-Y369 WeakPolarHBondContact CA-O 3.32Å; I215-Y369 PolarHBondContact N-O 2.94Å; I215-Y369 PolarHBondContact O-N 3.33Å; I217-Y369 HydrophobicContact CB-CE2 4.43Å; I217-Y369 HydrophobicContact CD1-CD2 4.07Å; I217-Y369 HydrophobicContact CD1-CE2 3.75Å; I217-Y369 HydrophobicContact CG1-CD2 4.28Å; I217-Y369 HydrophobicContact CG1-CE2 4.14Å; M250-Y369 HydrophobicContact CB-CD1 3.7Å; M250-Y369 HydrophobicContact CB-CE1 3.63Å; M250-Y369 HydrophobicContact CG-CD1 3.68Å; M250-Y369 HydrophobicContact CG-CE1 3.24Å; M250-Y369 HydrophobicContact SD-CE1 3.54Å; M250-Y369 VanDerWaalsContact SD-CE1 3.54Å; N367-Y369 HydrophobicContact CB-CD2 4.04Å; N367-Y369 HydrophobicContact CB-CE1 4.44Å; N367-Y369 HydrophobicContact CB-CE2 3.27Å; N367-Y369 PolarHBondContact ND2-OH 3.3Å; Y369-V374 HydrophobicContact CD2-CG2 4.12Å; Y369-V374 HydrophobicContact CG-CG2 3.83Å; Y369-I377 HydrophobicContact CD1-CD1 3.93Å; Y369-I377 HydrophobicContact CE1-CD1 3.69Å; Y369-F411 HydrophobicContact CD1-CZ 4.48Å; Y369-F411 HydrophobicContact CE1-CE2 4.42Å; Y369-F411 HydrophobicContact CE1-CZ 4.05Å |
| 370 | P | 86.1 | Confident | 76.6 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 148.8 | 159.9 | -6.4 | 19.4 | 0 | 0 | 0 | 110.8 | Y214 L248 E372 Q373 V374 | Y214-P370 HydrophobicContact CD1-CB 4.49Å; Y214-P370 HydrophobicContact CE1-CB 4.32Å; Y214-P370 HydrophobicContact CE1-CG 4.16Å; L248-P370 HydrophobicContact CB-CG 4.12Å; L248-P370 WeakPolarHBondContact O-CD 3.39Å; L248-P370 WeakPolarHBondContact O-CG 2.72Å; P370-E372 VanDerWaalsContact C-N 3.34Å; P370-E372 PolarHBondContact O-N 3.32Å; P370-Q373 WeakPolarHBondContact O-CB 3.29Å; P370-Q373 PolarHBondContact O-N 2.77Å; P370-V374 PolarHBondContact O-N 2.68Å |
| 371 | I | 87.6 | Confident | 78.6 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -52.9 | -46.2 | -177.8 | -81.4 | 176.3 | 0 | 0 | 0 | 113.7 | I200 I203 Y210 D213 I215 Q373 V374 K375 | I200-I371 HydrophobicContact CG1-CG2 4.4Å; I200-I371 HydrophobicContact CG2-CG2 4.44Å; I203-I371 HydrophobicContact CB-CD1 4.29Å; I203-I371 HydrophobicContact CD1-CD1 3.31Å; I203-I371 HydrophobicContact CD1-CG1 3.92Å; I203-I371 HydrophobicContact CG1-CD1 4.33Å; I203-I371 HydrophobicContact CG2-CD1 3.84Å; Y210-I371 HydrophobicContact CD2-CD1 4.07Å; Y210-I371 HydrophobicContact CD2-CG2 3.94Å; Y210-I371 HydrophobicContact CE2-CG2 4.17Å; Y210-I371 WeakPolarHBondContact O-CD1 3.23Å; D213-I371 HydrophobicContact CB-CD1 3.55Å; D213-I371 HydrophobicContact CB-CG1 4.35Å; D213-I371 WeakPolarHBondContact O-CG1 3.24Å; D213-I371 PolarHBondContact O-N 3.37Å; D213-I371 VanDerWaalsContact O-N 3.07Å; I215-I371 HydrophobicContact CD1-CG1 3.85Å; I215-I371 HydrophobicContact CG1-CG1 3.98Å; I371-Q373 PolarHBondContact O-N 2.81Å; I371-V374 PolarHBondContact O-N 3.45Å; I371-V374 VanDerWaalsContact O-N 3.15Å; I371-K375 PolarHBondContact O-N 2.94Å |
| 372 | E | 82.9 | Confident | 80.4 | Confident | 72 Ų | 72 | 29.4 Ų | 29.4 | 34% | 0.336 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -57.3 | -35.6 | -179.1 | -82.5 | -173.6 | 170.5 | 0 | 0 | 112 | K247 P370 Q376 | K247-E372 IonicContact NZ-OE1 2.69Å; K247-E372 PolarHBondContact NZ-OE1 3.36Å; K247-E372 VanDerWaalsContact NZ-OE1 3.1Å; K247-E372 IonicContact NZ-OE2 3.63Å; K247-E372 PolarHBondContact NZ-OE2 3.44Å; P370-E372 VanDerWaalsContact C-N 3.34Å; P370-E372 PolarHBondContact O-N 3.32Å; E372-Q376 WeakPolarHBondContact O-CG 3.49Å; E372-Q376 PolarHBondContact O-N 3.32Å |
| 373 | Q | 83.6 | Confident | 82.3 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.9 | -42.9 | 179.9 | -165.9 | 176 | 52.3 | 0 | 0 | 111 | P370 I371 K375 Q376 I377 F411 K416 | P370-Q373 WeakPolarHBondContact O-CB 3.29Å; P370-Q373 PolarHBondContact O-N 2.77Å; I371-Q373 PolarHBondContact O-N 2.81Å; Q373-K375 VanDerWaalsContact C-N 3.26Å; Q373-K375 PolarHBondContact O-N 2.85Å; Q373-Q376 PolarHBondContact O-N 3.03Å; Q373-I377 HydrophobicContact CG-CD1 3.91Å; Q373-I377 WeakPolarHBondContact O-CG1 3.26Å; Q373-I377 PolarHBondContact O-N 3.21Å; Q373-F411 HydrophobicContact CG-CE1 4.06Å; Q373-F411 HydrophobicContact CG-CZ 4.39Å; Q373-K416 HydrophobicContact CG-CD 4.49Å |
| 374 | V | 87.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 173.7 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | M196 I200 I215 Y369 P370 I371 Q376 I377 S378 | M196-V374 HydrophobicContact CB-CG1 3.51Å; M196-V374 HydrophobicContact CG-CG1 3.7Å; M196-V374 HydrophobicContact SD-CG1 4.15Å; I200-V374 HydrophobicContact CD1-CB 4.19Å; I200-V374 HydrophobicContact CD1-CG1 3.89Å; I200-V374 HydrophobicContact CG1-CG1 4.3Å; I215-V374 HydrophobicContact CB-CG2 3.97Å; I215-V374 HydrophobicContact CD1-CB 3.94Å; I215-V374 HydrophobicContact CD1-CG1 3.84Å; I215-V374 HydrophobicContact CD1-CG2 3.95Å; I215-V374 HydrophobicContact CG1-CG2 4.44Å; I215-V374 HydrophobicContact CG2-CG2 4.45Å; Y369-V374 HydrophobicContact CD2-CG2 4.12Å; Y369-V374 HydrophobicContact CG-CG2 3.83Å; P370-V374 PolarHBondContact O-N 2.68Å; I371-V374 PolarHBondContact O-N 3.45Å; I371-V374 VanDerWaalsContact O-N 3.15Å; V374-Q376 VanDerWaalsContact C-N 3.3Å; V374-Q376 PolarHBondContact O-N 3.5Å; V374-I377 PolarHBondContact O-N 3.3Å; V374-S378 VanDerWaalsContact O-CB 3.26Å; V374-S378 WeakPolarHBondContact O-CB 3.34Å; V374-S378 PolarHBondContact O-N 3.47Å; V374-S378 PolarHBondContact O-OG 3.31Å |
| 375 | K | 87.7 | Confident | 84.2 | Confident | 86 Ų | 86 | 33.9 Ų | 33.9 | 37% | 0.374 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 177.6 | -173.6 | 180 | 176.2 | -172.8 | 0 | 111 | I200 I371 Q373 S378 Y379 | I200-K375 VanDerWaalsContact CD1-CA 3.46Å; I200-K375 HydrophobicContact CD1-CB 3.73Å; I200-K375 HydrophobicContact CD1-CG 4.37Å; I371-K375 PolarHBondContact O-N 2.94Å; Q373-K375 VanDerWaalsContact C-N 3.26Å; Q373-K375 PolarHBondContact O-N 2.85Å; K375-S378 PolarHBondContact O-OG 3.48Å; K375-Y379 HydrophobicContact CD-CE2 4.41Å; K375-Y379 HydrophobicContact CG-CD2 4.08Å; K375-Y379 HydrophobicContact CG-CE2 3.63Å; K375-Y379 WeakPolarHBondContact O-CD2 3.31Å; K375-Y379 PolarHBondContact O-N 2.89Å |
| 376 | Q | 87.9 | Confident | 84.3 | Confident | 82 Ų | 82 | 40.1 Ų | 40.1 | 38% | 0.383 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -74.4 | -40.8 | -177.3 | -63.7 | 176.7 | 17.4 | 0 | 0 | 112.5 | E372 Q373 V374 S378 Y379 Y380 Y410 K416 | E372-Q376 WeakPolarHBondContact O-CG 3.49Å; E372-Q376 PolarHBondContact O-N 3.32Å; Q373-Q376 PolarHBondContact O-N 3.03Å; V374-Q376 VanDerWaalsContact C-N 3.3Å; V374-Q376 PolarHBondContact O-N 3.5Å; Q376-S378 VanDerWaalsContact C-N 3.34Å; Q376-S378 PolarHBondContact O-N 2.83Å; Q376-Y379 PolarHBondContact O-N 3.31Å; Q376-Y380 PolarHBondContact O-N 3.49Å; Q376-Y410 HydrophobicContact CB-CE2 4.21Å; Q376-Y410 WeakPolarHBondContact CB-OH 3.4Å; Q376-Y410 PolarHBondContact OE1-OH 3.05Å; Q376-K416 VanDerWaalsContact CD-NZ 3.3Å |
| 377 | I | 87 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.7 | -68.9 | 167.1 | 0 | 0 | 0 | 110.5 | M196 Y369 Q373 V374 Y379 Y380 L381 I407 Y410 F411 | M196-I377 HydrophobicContact CE-CG2 4.04Å; M196-I377 HydrophobicContact SD-CB 4.4Å; M196-I377 HydrophobicContact SD-CG2 3.84Å; Y369-I377 HydrophobicContact CD1-CD1 3.93Å; Y369-I377 HydrophobicContact CE1-CD1 3.69Å; Q373-I377 HydrophobicContact CG-CD1 3.91Å; Q373-I377 WeakPolarHBondContact O-CG1 3.26Å; Q373-I377 PolarHBondContact O-N 3.21Å; V374-I377 PolarHBondContact O-N 3.3Å; I377-Y379 PolarHBondContact O-N 2.93Å; I377-Y380 WeakPolarHBondContact O-CB 3.21Å; I377-Y380 PolarHBondContact O-N 3.01Å; I377-Y380 VanDerWaalsContact O-N 3.16Å; I377-L381 HydrophobicContact CG2-CD1 3.87Å; I377-L381 HydrophobicContact CG2-CG 4.13Å; I377-L381 WeakPolarHBondContact O-CG 3Å; I377-L381 PolarHBondContact O-N 3.38Å; I377-I407 HydrophobicContact CG2-CD1 4.33Å; I377-I407 HydrophobicContact CG2-CG1 3.88Å; I377-Y410 HydrophobicContact CD1-CD1 4.37Å; I377-Y410 HydrophobicContact CD1-CE1 4.34Å; I377-Y410 HydrophobicContact CG1-CD1 3.5Å; I377-Y410 VanDerWaalsContact CG1-CD1 3.5Å; I377-Y410 HydrophobicContact CG1-CE1 3.47Å; I377-Y410 VanDerWaalsContact CG1-CE1 3.47Å; I377-Y410 HydrophobicContact CG1-CG 4.26Å; I377-F411 HydrophobicContact CD1-CE1 4.09Å; I377-F411 HydrophobicContact CD1-CE2 4.18Å; I377-F411 HydrophobicContact CD1-CZ 3.49Å; I377-F411 VanDerWaalsContact CD1-CZ 3.49Å; I377-F411 HydrophobicContact CG1-CZ 4.44Å |
| 378 | S | 87.7 | Confident | 83 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | -177.9 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | S193 L197 V374 K375 Q376 Y380 L381 K382 | S193-S378 PolarHBondContact OG-O 3Å; S193-S378 VanDerWaalsContact OG-O 3.08Å; L197-S378 VanDerWaalsContact CD2-OG 3.24Å; L197-S378 WeakPolarHBondContact CD2-OG 3.33Å; V374-S378 VanDerWaalsContact O-CB 3.26Å; V374-S378 WeakPolarHBondContact O-CB 3.34Å; V374-S378 PolarHBondContact O-N 3.47Å; V374-S378 PolarHBondContact O-OG 3.31Å; K375-S378 PolarHBondContact O-OG 3.48Å; Q376-S378 VanDerWaalsContact C-N 3.34Å; Q376-S378 PolarHBondContact O-N 2.83Å; S378-Y380 VanDerWaalsContact C-N 3.34Å; S378-Y380 PolarHBondContact O-N 2.86Å; S378-L381 PolarHBondContact O-N 2.85Å; S378-K382 WeakPolarHBondContact O-CB 3.39Å; S378-K382 PolarHBondContact O-N 3.45Å |
| 379 | Y | 87.7 | Confident | 81.9 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 171.8 | -72.6 | -57.3 | 0 | 0 | 0 | 112.8 | L197 K375 Q376 I377 K382 Q383 | L197-Y379 HydrophobicContact CD2-CD1 4.49Å; L197-Y379 HydrophobicContact CD2-CE1 4.09Å; L197-Y379 HydrophobicContact CD2-CE2 4.45Å; K375-Y379 HydrophobicContact CD-CE2 4.41Å; K375-Y379 HydrophobicContact CG-CD2 4.08Å; K375-Y379 HydrophobicContact CG-CE2 3.63Å; K375-Y379 WeakPolarHBondContact O-CD2 3.31Å; K375-Y379 PolarHBondContact O-N 2.89Å; Q376-Y379 PolarHBondContact O-N 3.31Å; I377-Y379 PolarHBondContact O-N 2.93Å; Y379-K382 PolarHBondContact O-N 2.93Å; Y379-Q383 WeakPolarHBondContact O-CG 3.28Å; Y379-Q383 PolarHBondContact O-N 3.19Å |
| 380 | Y | 87.6 | Confident | 80.8 | Confident | 56 Ų | 56 | 57 Ų | 57 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -45 | 175.8 | 178.2 | -96.6 | 0 | 0 | 0 | 112.2 | Q376 I377 S378 K382 Q383 S384 L406 S409 Y410 | Q376-Y380 PolarHBondContact O-N 3.49Å; I377-Y380 WeakPolarHBondContact O-CB 3.21Å; I377-Y380 PolarHBondContact O-N 3.01Å; I377-Y380 VanDerWaalsContact O-N 3.16Å; S378-Y380 VanDerWaalsContact C-N 3.34Å; S378-Y380 PolarHBondContact O-N 2.86Å; Y380-K382 VanDerWaalsContact C-N 3.34Å; Y380-K382 PolarHBondContact O-N 3.47Å; Y380-Q383 PolarHBondContact O-N 3.49Å; Y380-S384 WeakPolarHBondContact O-CB 3.24Å; Y380-S384 PolarHBondContact O-N 3.31Å; Y380-S384 PolarHBondContact O-OG 2.88Å; Y380-L406 HydrophobicContact CE1-CB 4.18Å; Y380-L406 HydrophobicContact CE1-CD2 4.36Å; Y380-L406 VanDerWaalsContact CE1-O 3.31Å; Y380-L406 WeakPolarHBondContact CE1-O 3.41Å; Y380-S409 PolarHBondContact OH-OG 3.37Å; Y380-Y410 HydrophobicContact CD1-CD2 4.16Å; Y380-Y410 HydrophobicContact CD1-CG 4.29Å; Y380-Y410 HydrophobicContact CD2-CD2 4.01Å; Y380-Y410 AromaticContact CG-CD2 3.68Å; Y380-Y410 HydrophobicContact CG-CD2 3.68Å; Y380-Y410 HydrophobicContact CG-CG 4.27Å |
| 381 | L | 85.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.6 | -70.8 | 177.3 | 0 | 0 | 0 | 111 | I189 M192 M196 I377 S378 Q383 S384 I385 L406 I407 | I189-L381 HydrophobicContact CG2-CB 4.18Å; I189-L381 HydrophobicContact CG2-CD2 4.21Å; M192-L381 HydrophobicContact CG-CD1 4.15Å; M196-L381 HydrophobicContact CE-CD1 4.36Å; M196-L381 HydrophobicContact SD-CD1 4.18Å; I377-L381 HydrophobicContact CG2-CD1 3.87Å; I377-L381 HydrophobicContact CG2-CG 4.13Å; I377-L381 WeakPolarHBondContact O-CG 3Å; I377-L381 PolarHBondContact O-N 3.38Å; S378-L381 PolarHBondContact O-N 2.85Å; L381-Q383 PolarHBondContact O-N 3.35Å; L381-S384 WeakPolarHBondContact O-CB 3.28Å; L381-S384 PolarHBondContact O-N 3.4Å; L381-S384 VanDerWaalsContact O-N 3.1Å; L381-I385 PolarHBondContact O-N 3.01Å; L381-L406 HydrophobicContact CD2-CB 3.66Å; L381-L406 HydrophobicContact CD2-CD1 3.96Å; L381-I407 HydrophobicContact CD1-CD1 4.39Å; L381-I407 HydrophobicContact CD1-CG1 4.22Å; L381-I407 HydrophobicContact CD2-CG1 4.21Å |
| 382 | K | 84.9 | Confident | 78.4 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 176.3 | -166.7 | 169.6 | -179 | 171.5 | 0 | 112.4 | L197 S378 Y379 Y380 S384 I385 | L197-K382 HydrophobicContact CD1-CD 4.33Å; S378-K382 WeakPolarHBondContact O-CB 3.39Å; S378-K382 PolarHBondContact O-N 3.45Å; Y379-K382 PolarHBondContact O-N 2.93Å; Y380-K382 VanDerWaalsContact C-N 3.34Å; Y380-K382 PolarHBondContact O-N 3.47Å; K382-S384 VanDerWaalsContact C-N 3.27Å; K382-S384 PolarHBondContact O-N 2.8Å; K382-I385 HydrophobicContact CG-CD1 4.45Å; K382-I385 WeakPolarHBondContact O-CB 3.37Å; K382-I385 PolarHBondContact O-N 3.35Å |
| 383 | Q | 83.9 | Confident | 77.4 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 59% | 0.593 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.9 | -33.9 | 174.8 | -73.3 | 174.7 | -11.7 | 0 | 0 | 112.1 | Y379 Y380 L381 I385 E386 | Y379-Q383 WeakPolarHBondContact O-CG 3.28Å; Y379-Q383 PolarHBondContact O-N 3.19Å; Y380-Q383 PolarHBondContact O-N 3.49Å; L381-Q383 PolarHBondContact O-N 3.35Å; Q383-I385 PolarHBondContact O-N 3.37Å; Q383-E386 PolarHBondContact O-N 3.02Å |
| 384 | S | 80.3 | Confident | 76.3 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -18.1 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 113.1 | Y380 L381 K382 E386 L387 C388 L393 | Y380-S384 WeakPolarHBondContact O-CB 3.24Å; Y380-S384 PolarHBondContact O-N 3.31Å; Y380-S384 PolarHBondContact O-OG 2.88Å; L381-S384 WeakPolarHBondContact O-CB 3.28Å; L381-S384 PolarHBondContact O-N 3.4Å; L381-S384 VanDerWaalsContact O-N 3.1Å; K382-S384 VanDerWaalsContact C-N 3.27Å; K382-S384 PolarHBondContact O-N 2.8Å; S384-E386 VanDerWaalsContact C-N 3.31Å; S384-E386 PolarHBondContact O-N 3.32Å; S384-L387 WeakPolarHBondContact O-CB 3.3Å; S384-L387 PolarHBondContact O-N 2.87Å; S384-C388 PolarHBondContact O-N 3.39Å; S384-L393 VanDerWaalsContact O-CD1 3.27Å; S384-L393 WeakPolarHBondContact O-CD1 3.37Å |
| 385 | I | 76.8 | Confident | 75.1 | Confident | 20 Ų | 20 | 76 Ų | 76 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.3 | -37 | 174.9 | -60.8 | 161.4 | 0 | 0 | 0 | 110.7 | L182 I189 N190 L381 K382 Q383 L387 C388 E389 | L182-I385 HydrophobicContact CD1-CG2 4.41Å; L182-I385 HydrophobicContact CD2-CG2 4.31Å; I189-I385 HydrophobicContact CG2-CG1 4.03Å; N190-I385 HydrophobicContact CB-CD1 3.58Å; N190-I385 HydrophobicContact CB-CG1 4.26Å; N190-I385 VanDerWaalsContact OD1-CD1 3.31Å; N190-I385 WeakPolarHBondContact OD1-CD1 3.2Å; L381-I385 PolarHBondContact O-N 3.01Å; K382-I385 HydrophobicContact CG-CD1 4.45Å; K382-I385 WeakPolarHBondContact O-CB 3.37Å; K382-I385 PolarHBondContact O-N 3.35Å; Q383-I385 PolarHBondContact O-N 3.37Å; I385-L387 PolarHBondContact O-N 3.47Å; I385-C388 WeakPolarHBondContact O-CA 3.09Å; I385-C388 WeakPolarHBondContact O-CB 3.17Å; I385-C388 PolarHBondContact O-N 3.46Å; I385-E389 PolarHBondContact O-N 3.07Å |
| 386 | E | 70.1 | Confident | 74.1 | Confident | 136 Ų | 136 | 74 Ų | 74 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.6 | -33.5 | 175.8 | -62.7 | 178.1 | 177.7 | 0 | 0 | 111.4 | Q383 S384 C388 | Q383-E386 PolarHBondContact O-N 3.02Å; S384-E386 VanDerWaalsContact C-N 3.31Å; S384-E386 PolarHBondContact O-N 3.32Å; E386-C388 VanDerWaalsContact C-N 3.27Å; E386-C388 PolarHBondContact O-N 3.27Å |
| 387 | L | 68.3 | Low | 73 | Confident | 90 Ų | 90 | 75.5 Ų | 75.5 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.3 | -22.7 | 173.9 | -66.5 | 175.5 | 0 | 0 | 0 | 113 | S384 I385 N390 S392 L393 | S384-L387 WeakPolarHBondContact O-CB 3.3Å; S384-L387 PolarHBondContact O-N 2.87Å; I385-L387 PolarHBondContact O-N 3.47Å; L387-N390 PolarHBondContact O-N 3.36Å; L387-S392 WeakPolarHBondContact CB-OG 3.44Å; L387-S392 PolarHBondContact O-N 2.9Å; L387-S392 PolarHBondContact O-OG 3.22Å; L387-L393 HydrophobicContact CB-CD1 4.12Å |
| 388 | C | 66 | Low | 71.4 | Confident | 7 Ų | 7 | 80 Ų | 80 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.1 | -37.8 | 178.3 | -131.8 | 0 | 0 | 0 | 0 | 111.2 | C186 S384 I385 E386 N390 K391 L393 | C186-C388 WeakPolarHBondContact CA-SG 3.34Å; C186-C388 HydrophobicContact CB-CB 3.78Å; C186-C388 WeakPolarHBondContact CB-SG 3.3Å; C186-C388 WeakPolarHBondContact SG-CB 3.28Å; C186-C388 CovalentContact SG-SG 2Å; C186-C388 PolarHBondContact SG-SG 2.99Å; S384-C388 PolarHBondContact O-N 3.39Å; I385-C388 WeakPolarHBondContact O-CA 3.09Å; I385-C388 WeakPolarHBondContact O-CB 3.17Å; I385-C388 PolarHBondContact O-N 3.46Å; E386-C388 VanDerWaalsContact C-N 3.27Å; E386-C388 PolarHBondContact O-N 3.27Å; C388-N390 PolarHBondContact O-N 3.39Å; C388-K391 PolarHBondContact O-N 2.93Å; C388-L393 HydrophobicContact CB-CD1 3.78Å |
| 389 | E | 63.8 | Low | 69.9 | Low | 142 Ų | 142 | 85.9 Ų | 85.9 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.9 | -33.7 | 171.8 | -64.5 | -175.5 | 164.3 | 0 | 0 | 111.8 | L182 I385 K391 | L182-E389 HydrophobicContact CD2-CG 4.25Å; I385-E389 PolarHBondContact O-N 3.07Å; E389-K391 VanDerWaalsContact C-N 3.28Å; E389-K391 PolarHBondContact O-N 3.4Å |
| 390 | N | 63.1 | Low | 68.5 | Low | 126 Ų | 126 | 81.8 Ų | 81.8 | 67% | 0.674 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 12.6 | 179.7 | -71.4 | -32.2 | 0 | 0 | 0 | 114.8 | L387 C388 S392 | L387-N390 PolarHBondContact O-N 3.36Å; C388-N390 PolarHBondContact O-N 3.39Å; N390-S392 PolarHBondContact O-N 3.41Å |
| 391 | K | 63.2 | Low | 67.4 | Low | 150 Ų | 150 | 79.9 Ų | 79.9 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 3.3 | -177.5 | -60.6 | -174.9 | 179.3 | -176.4 | 0 | 116.5 | C388 E389 L393 W394 | C388-K391 PolarHBondContact O-N 2.93Å; E389-K391 VanDerWaalsContact C-N 3.28Å; E389-K391 PolarHBondContact O-N 3.4Å; K391-L393 PolarHBondContact O-N 2.78Å; K391-W394 HydrophobicContact CB-CG 4.48Å; K391-W394 WeakPolarHBondContact O-CB 3.47Å; K391-W394 PolarHBondContact O-N 2.99Å; K391-W394 VanDerWaalsContact O-N 3.09Å |
| 392 | S | 60.6 | Low | 66.8 | Low | 53 Ų | 53 | 81.1 Ų | 81.1 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -63.6 | -26.4 | -179.7 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | L387 N390 W394 N395 | L387-S392 WeakPolarHBondContact CB-OG 3.44Å; L387-S392 PolarHBondContact O-N 2.9Å; L387-S392 PolarHBondContact O-OG 3.22Å; N390-S392 PolarHBondContact O-N 3.41Å; S392-W394 PolarHBondContact O-N 2.89Å; S392-N395 PolarHBondContact O-N 3.45Å |
| 393 | L | 62.4 | Low | 66.2 | Low | 9 Ų | 9 | 76.6 Ų | 76.6 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -67.2 | -16 | 175.9 | -109.1 | 115.3 | 0 | 0 | 0 | 114.4 | I189 S384 L387 C388 K391 N395 L396 K402 L406 | I189-L393 HydrophobicContact CD1-CD2 3.43Å; I189-L393 VanDerWaalsContact CD1-CD2 3.43Å; S384-L393 VanDerWaalsContact O-CD1 3.27Å; S384-L393 WeakPolarHBondContact O-CD1 3.37Å; L387-L393 HydrophobicContact CB-CD1 4.12Å; C388-L393 HydrophobicContact CB-CD1 3.78Å; K391-L393 PolarHBondContact O-N 2.78Å; L393-N395 PolarHBondContact O-N 3.5Å; L393-L396 HydrophobicContact CD2-CD1 3.65Å; L393-L396 HydrophobicContact CG-CD1 3.91Å; L393-L396 VanDerWaalsContact O-CB 3.31Å; L393-L396 WeakPolarHBondContact O-CB 3.43Å; L393-L396 PolarHBondContact O-N 2.94Å; L393-K402 HydrophobicContact CD2-CB 4.13Å; L393-L406 HydrophobicContact CD2-CD1 4.08Å |
| 394 | W | 60.4 | Low | 65.5 | Low | 140 Ų | 140 | 70.5 Ų | 70.5 | 53% | 0.53 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -72.3 | -20.8 | 178.7 | -65.9 | 59.4 | 0 | 0 | 0 | 111.9 | K391 S392 L396 | K391-W394 HydrophobicContact CB-CG 4.48Å; K391-W394 WeakPolarHBondContact O-CB 3.47Å; K391-W394 PolarHBondContact O-N 2.99Å; K391-W394 VanDerWaalsContact O-N 3.09Å; S392-W394 PolarHBondContact O-N 2.89Å; W394-L396 PolarHBondContact O-N 2.99Å |
| 395 | N | 63 | Low | 65.1 | Low | 151 Ų | 151 | 70.5 Ų | 70.5 | 81% | 0.807 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -76.7 | -10.9 | 176.2 | -65.8 | -20.2 | 0 | 0 | 0 | 113.4 | S392 L393 | S392-N395 PolarHBondContact O-N 3.45Å; L393-N395 PolarHBondContact O-N 3.5Å |
| 396 | L | 65.5 | Low | 65.2 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -65 | 151.9 | 170 | -69 | 177.2 | 0 | 0 | 0 | 109.4 | L393 W394 K402 Q405 L406 | L393-L396 HydrophobicContact CD2-CD1 3.65Å; L393-L396 HydrophobicContact CG-CD1 3.91Å; L393-L396 VanDerWaalsContact O-CB 3.31Å; L393-L396 WeakPolarHBondContact O-CB 3.43Å; L393-L396 PolarHBondContact O-N 2.94Å; W394-L396 PolarHBondContact O-N 2.99Å; L396-K402 HydrophobicContact CB-CD 3.68Å; L396-K402 HydrophobicContact CD1-CB 4.4Å; L396-K402 HydrophobicContact CD1-CD 4.07Å; L396-K402 PolarHBondContact O-NZ 3.27Å; L396-Q405 HydrophobicContact CD1-CB 4.25Å; L396-Q405 HydrophobicContact CD2-CB 4.21Å; L396-L406 HydrophobicContact CD1-CD2 4.37Å; L396-L406 HydrophobicContact CD1-CG 4.43Å |
| 397 | K | 64.2 | Low | 65.5 | Low | 113 Ų | 113 | 63.7 Ų | 63.7 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | trans | -56.2 | 140.9 | -173.7 | -72.1 | 161.7 | 168.6 | -179 | 0 | 111.5 | E400 K402 Q405 | K397-E400 HydrophobicContact CB-CB 4.4Å; K397-E400 VanDerWaalsContact CD-CD 3.41Å; K397-E400 WeakPolarHBondContact CD-OE1 3.37Å; K397-E400 WeakPolarHBondContact CD-OE2 3.49Å; K397-E400 IonicContact NZ-OE1 2.89Å; K397-E400 PolarHBondContact NZ-OE1 3.3Å; K397-E400 IonicContact NZ-OE2 2.81Å; K397-E400 PolarHBondContact NZ-OE2 3.45Å; K397-K402 PolarHBondContact O-NZ 2.89Å; K397-Q405 PolarHBondContact O-NE2 2.96Å | ||
| 398 | P | 55 | Low | 65.6 | Low | 95 Ų | 95 | 59.6 Ų | 59.6 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -30 | -174.7 | 24.8 | -32.1 | 0 | 0 | 0 | 113.4 | E400 | P398-E400 PolarHBondContact O-N 2.93Š|
| 399 | N | 55.6 | Low | 65.9 | Low | 124 Ų | 124 | 61.3 Ų | 61.3 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 28.1 | -172.2 | -53 | -0 | 0 | 0 | 0 | 112.7 | E436 | N399-E436 WeakPolarHBondContact CA-OE2 3.34Š|
| 400 | E | 59.2 | Low | 66.6 | Low | 24 Ų | 24 | 54.9 Ų | 54.9 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -144.2 | 140.3 | -179.3 | -73.7 | 172.7 | -172.1 | 0 | 0 | 109.6 | M361 K397 P398 K402 Q405 E436 | M361-E400 HydrophobicContact CB-CB 4.11Å; M361-E400 HydrophobicContact CB-CG 4Å; M361-E400 WeakPolarHBondContact CB-OE2 3.38Å; K397-E400 HydrophobicContact CB-CB 4.4Å; K397-E400 VanDerWaalsContact CD-CD 3.41Å; K397-E400 WeakPolarHBondContact CD-OE1 3.37Å; K397-E400 WeakPolarHBondContact CD-OE2 3.49Å; K397-E400 IonicContact NZ-OE1 2.89Å; K397-E400 PolarHBondContact NZ-OE1 3.3Å; K397-E400 IonicContact NZ-OE2 2.81Å; K397-E400 PolarHBondContact NZ-OE2 3.45Å; P398-E400 PolarHBondContact O-N 2.93Å; E400-K402 PolarHBondContact O-N 3.46Å; E400-K402 VanDerWaalsContact O-N 3.14Å; E400-Q405 HydrophobicContact CB-CG 4.09Å; E400-Q405 PolarHBondContact O-NE2 3Å; E400-E436 WeakPolarHBondContact CA-OE1 3.24Å; E400-E436 PolarHBondContact N-OE2 2.96Å |
| 401 | S | 64.4 | Low | 66.9 | Low | 16 Ų | 16 | 49 Ų | 49 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | trans | -65 | 119.2 | -171.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | Y403 T404 Q405 E436 | S401-Y403 VanDerWaalsContact C-N 3.31Å; S401-Y403 PolarHBondContact O-N 3.38Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.39Å; S401-Y403 WeakPolarHBondContact OG-CE1 3.41Å; S401-T404 CarbonylContact O-C 3.58Å; S401-T404 WeakPolarHBondContact O-CA 3.5Å; S401-T404 VanDerWaalsContact O-CB 3.22Å; S401-T404 WeakPolarHBondContact O-CB 3.45Å; S401-T404 PolarHBondContact O-N 2.99Å; S401-Q405 VanDerWaalsContact O-CG 3.31Å; S401-Q405 WeakPolarHBondContact O-CG 3.21Å; S401-Q405 PolarHBondContact O-N 3.2Å; S401-E436 WeakPolarHBondContact CA-OE1 3.43Å; S401-E436 PolarHBondContact N-OE1 3.36Å | ||
| 402 | K | 71.4 | Confident | 67 | Low | 27 Ų | 27 | 45.4 Ų | 45.4 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.2 | -42.8 | -172.3 | -58 | -59.4 | -172.4 | -167.6 | 0 | 113.1 | P185 I189 L393 L396 K397 E400 T404 Q405 L406 | P185-K402 HydrophobicContact CB-CB 4.22Å; P185-K402 HydrophobicContact CB-CG 3.78Å; P185-K402 HydrophobicContact CG-CG 4.42Å; I189-K402 HydrophobicContact CD1-CB 4.2Å; L393-K402 HydrophobicContact CD2-CB 4.13Å; L396-K402 HydrophobicContact CB-CD 3.68Å; L396-K402 HydrophobicContact CD1-CB 4.4Å; L396-K402 HydrophobicContact CD1-CD 4.07Å; L396-K402 PolarHBondContact O-NZ 3.27Å; K397-K402 PolarHBondContact O-NZ 2.89Å; E400-K402 PolarHBondContact O-N 3.46Å; E400-K402 VanDerWaalsContact O-N 3.14Å; K402-T404 VanDerWaalsContact C-N 3.32Å; K402-T404 PolarHBondContact O-N 3.12Å; K402-Q405 WeakPolarHBondContact O-CB 3.3Å; K402-Q405 PolarHBondContact O-N 3.3Å; K402-L406 WeakPolarHBondContact O-CG 3.28Å; K402-L406 PolarHBondContact O-N 3.31Å |
| 403 | Y | 73.3 | Confident | 67.4 | Low | 11 Ų | 11 | 46.5 Ų | 46.5 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -36.5 | 176.9 | 83.5 | -92.5 | 0 | 0 | 0 | 111.6 | F188 M192 I364 S401 Q405 L406 I407 | F188-Y403 AromaticContact CD1-CD1 3.32Å; F188-Y403 HydrophobicContact CD1-CD1 3.32Å; F188-Y403 AromaticContact CD1-CE1 3.81Å; F188-Y403 HydrophobicContact CD1-CE1 3.81Å; F188-Y403 AromaticContact CD1-CG 3.96Å; F188-Y403 HydrophobicContact CD1-CG 3.96Å; F188-Y403 AromaticContact CE1-CD1 3.2Å; F188-Y403 HydrophobicContact CE1-CD1 3.2Å; F188-Y403 HydrophobicContact CE1-CD2 4.49Å; F188-Y403 AromaticContact CE1-CE1 3.19Å; F188-Y403 HydrophobicContact CE1-CE1 3.19Å; F188-Y403 AromaticContact CE1-CG 3.9Å; F188-Y403 HydrophobicContact CE1-CG 3.9Å; F188-Y403 AromaticContact CE1-CZ 3.9Å; F188-Y403 HydrophobicContact CZ-CD1 4.3Å; F188-Y403 AromaticContact CZ-CE1 3.93Å; F188-Y403 HydrophobicContact CZ-CE1 3.93Å; M192-Y403 HydrophobicContact CE-CD2 4.23Å; M192-Y403 HydrophobicContact CE-CE2 3.83Å; M192-Y403 HydrophobicContact CG-CD2 4.41Å; I364-Y403 PolarHBondContact O-OH 3.44Å; S401-Y403 VanDerWaalsContact C-N 3.31Å; S401-Y403 PolarHBondContact O-N 3.38Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.39Å; S401-Y403 WeakPolarHBondContact OG-CE1 3.41Å; Y403-Q405 VanDerWaalsContact C-N 3.29Å; Y403-Q405 PolarHBondContact O-N 2.92Å; Y403-L406 PolarHBondContact O-N 3.06Å; Y403-I407 HydrophobicContact CD2-CD1 3.75Å; Y403-I407 HydrophobicContact CE2-CD1 4.15Å; Y403-I407 VanDerWaalsContact O-CG1 3.32Å; Y403-I407 WeakPolarHBondContact O-CG1 3.42Å; Y403-I407 PolarHBondContact O-N 3.18Å |
| 404 | T | 69.3 | Low | 67.7 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175 | -61 | 0 | 0 | 0 | 0 | 109.6 | M361 I364 S401 K402 L406 I407 T408 | M361-T404 WeakPolarHBondContact O-CG2 3.13Å; I364-T404 HydrophobicContact CB-CG2 4.37Å; I364-T404 HydrophobicContact CD1-CG2 3.63Å; I364-T404 HydrophobicContact CG1-CG2 3.6Å; S401-T404 CarbonylContact O-C 3.58Å; S401-T404 WeakPolarHBondContact O-CA 3.5Å; S401-T404 VanDerWaalsContact O-CB 3.22Å; S401-T404 WeakPolarHBondContact O-CB 3.45Å; S401-T404 PolarHBondContact O-N 2.99Å; K402-T404 VanDerWaalsContact C-N 3.32Å; K402-T404 PolarHBondContact O-N 3.12Å; T404-L406 VanDerWaalsContact C-N 3.33Å; T404-L406 PolarHBondContact O-N 2.79Å; T404-I407 PolarHBondContact O-N 3.01Å; T404-T408 VanDerWaalsContact O-CB 3.31Å; T404-T408 WeakPolarHBondContact O-CB 3.39Å; T404-T408 PolarHBondContact O-N 3.38Å; T404-T408 PolarHBondContact O-OG1 3.1Å |
| 405 | Q | 72.7 | Confident | 67.4 | Low | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 174.5 | -51 | -160 | 34 | 0 | 0 | 111.9 | M361 L396 K397 E400 S401 K402 Y403 T408 S409 | M361-Q405 HydrophobicContact CB-CG 4.13Å; M361-Q405 VanDerWaalsContact CE-CA 3.48Å; M361-Q405 HydrophobicContact CE-CB 3.49Å; M361-Q405 VanDerWaalsContact CE-CB 3.49Å; M361-Q405 HydrophobicContact CE-CG 4.08Å; M361-Q405 WeakPolarHBondContact CE-O 3.41Å; M361-Q405 HydrophobicContact CG-CB 4.19Å; M361-Q405 HydrophobicContact CG-CG 3.99Å; M361-Q405 VanDerWaalsContact SD-CA 3.58Å; M361-Q405 HydrophobicContact SD-CB 3.35Å; M361-Q405 WeakPolarHBondContact SD-CB 3.32Å; M361-Q405 VanDerWaalsContact SD-CD 3.51Å; M361-Q405 HydrophobicContact SD-CG 3.21Å; M361-Q405 WeakPolarHBondContact SD-CG 3.49Å; M361-Q405 PolarHBondContact SD-OE1 3.3Å; M361-Q405 VanDerWaalsContact SD-OE1 3.35Å; L396-Q405 HydrophobicContact CD1-CB 4.25Å; L396-Q405 HydrophobicContact CD2-CB 4.21Å; K397-Q405 PolarHBondContact O-NE2 2.96Å; E400-Q405 HydrophobicContact CB-CG 4.09Å; E400-Q405 PolarHBondContact O-NE2 3Å; S401-Q405 VanDerWaalsContact O-CG 3.31Å; S401-Q405 WeakPolarHBondContact O-CG 3.21Å; S401-Q405 PolarHBondContact O-N 3.2Å; K402-Q405 WeakPolarHBondContact O-CB 3.3Å; K402-Q405 PolarHBondContact O-N 3.3Å; Y403-Q405 VanDerWaalsContact C-N 3.29Å; Y403-Q405 PolarHBondContact O-N 2.92Å; Q405-T408 WeakPolarHBondContact O-CB 3.25Å; Q405-T408 PolarHBondContact O-N 2.93Å; Q405-S409 VanDerWaalsContact O-CB 3.31Å; Q405-S409 WeakPolarHBondContact O-CB 3.44Å; Q405-S409 PolarHBondContact O-N 3.11Å |
| 406 | L | 77.3 | Confident | 67.1 | Low | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 177.1 | -70.6 | 176.6 | 0 | 0 | 0 | 112.5 | I189 Y380 L381 L393 L396 K402 Y403 T404 T408 S409 Y410 | I189-L406 HydrophobicContact CD1-CD1 3.52Å; I189-L406 HydrophobicContact CG1-CD1 3.99Å; I189-L406 HydrophobicContact CG2-CD1 4.07Å; Y380-L406 HydrophobicContact CE1-CB 4.18Å; Y380-L406 HydrophobicContact CE1-CD2 4.36Å; Y380-L406 VanDerWaalsContact CE1-O 3.31Å; Y380-L406 WeakPolarHBondContact CE1-O 3.41Å; L381-L406 HydrophobicContact CD2-CB 3.66Å; L381-L406 HydrophobicContact CD2-CD1 3.96Å; L393-L406 HydrophobicContact CD2-CD1 4.08Å; L396-L406 HydrophobicContact CD1-CD2 4.37Å; L396-L406 HydrophobicContact CD1-CG 4.43Å; K402-L406 WeakPolarHBondContact O-CG 3.28Å; K402-L406 PolarHBondContact O-N 3.31Å; Y403-L406 PolarHBondContact O-N 3.06Å; T404-L406 VanDerWaalsContact C-N 3.33Å; T404-L406 PolarHBondContact O-N 2.79Å; L406-T408 VanDerWaalsContact C-N 3.29Å; L406-T408 PolarHBondContact O-N 3.24Å; L406-S409 WeakPolarHBondContact O-CB 3.42Å; L406-S409 PolarHBondContact O-N 3.34Å; L406-Y410 WeakPolarHBondContact O-CB 3.48Å; L406-Y410 PolarHBondContact O-N 2.92Å |
| 407 | I | 76.5 | Confident | 66.4 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.6 | -69.4 | 177 | 0 | 0 | 0 | 110.2 | M196 I377 L381 Y403 T404 Y410 F411 | M196-I407 HydrophobicContact CE-CD1 4.16Å; I377-I407 HydrophobicContact CG2-CD1 4.33Å; I377-I407 HydrophobicContact CG2-CG1 3.88Å; L381-I407 HydrophobicContact CD1-CD1 4.39Å; L381-I407 HydrophobicContact CD1-CG1 4.22Å; L381-I407 HydrophobicContact CD2-CG1 4.21Å; Y403-I407 HydrophobicContact CD2-CD1 3.75Å; Y403-I407 HydrophobicContact CE2-CD1 4.15Å; Y403-I407 VanDerWaalsContact O-CG1 3.32Å; Y403-I407 WeakPolarHBondContact O-CG1 3.42Å; Y403-I407 PolarHBondContact O-N 3.18Å; T404-I407 PolarHBondContact O-N 3.01Å; I407-Y410 WeakPolarHBondContact O-CB 3.47Å; I407-Y410 PolarHBondContact O-N 3.48Å; I407-F411 HydrophobicContact CG2-CD2 3.71Å; I407-F411 HydrophobicContact CG2-CE2 3.29Å; I407-F411 HydrophobicContact CG2-CZ 4.28Å; I407-F411 WeakPolarHBondContact O-CD2 3.5Å; I407-F411 PolarHBondContact O-N 3.36Å |
| 408 | T | 71 | Confident | 65.9 | Low | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 174.8 | -54 | 0 | 0 | 0 | 0 | 110.8 | P359 M361 T404 Q405 L406 Y410 F411 I412 | P359-T408 HydrophobicContact CG-CG2 4.11Å; P359-T408 WeakPolarHBondContact CG-OG1 3.45Å; P359-T408 VanDerWaalsContact O-CG2 3.24Å; P359-T408 WeakPolarHBondContact O-CG2 3.3Å; P359-T408 PolarHBondContact O-OG1 2.96Å; M361-T408 HydrophobicContact CE-CG2 4.18Å; M361-T408 HydrophobicContact CG-CG2 3.94Å; T404-T408 VanDerWaalsContact O-CB 3.31Å; T404-T408 WeakPolarHBondContact O-CB 3.39Å; T404-T408 PolarHBondContact O-N 3.38Å; T404-T408 PolarHBondContact O-OG1 3.1Å; Q405-T408 WeakPolarHBondContact O-CB 3.25Å; Q405-T408 PolarHBondContact O-N 2.93Å; L406-T408 VanDerWaalsContact C-N 3.29Å; L406-T408 PolarHBondContact O-N 3.24Å; T408-Y410 VanDerWaalsContact C-N 3.32Å; T408-Y410 PolarHBondContact O-N 3.44Å; T408-F411 PolarHBondContact O-N 3.43Å; T408-F411 VanDerWaalsContact O-N 3.14Å; T408-I412 HydrophobicContact CG2-CD1 3.87Å; T408-I412 HydrophobicContact CG2-CG1 4.48Å; T408-I412 VanDerWaalsContact O-CG1 3.28Å; T408-I412 WeakPolarHBondContact O-CG1 3.3Å; T408-I412 PolarHBondContact O-N 3.5Å |
| 409 | S | 73.1 | Confident | 65.9 | Low | 43 Ų | 43 | 34.1 Ų | 34.1 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 177.1 | 175 | 0 | 0 | 0 | 0 | 111.9 | Y380 Q405 L406 F411 I412 S413 | Y380-S409 PolarHBondContact OH-OG 3.37Å; Q405-S409 VanDerWaalsContact O-CB 3.31Å; Q405-S409 WeakPolarHBondContact O-CB 3.44Å; Q405-S409 PolarHBondContact O-N 3.11Å; L406-S409 WeakPolarHBondContact O-CB 3.42Å; L406-S409 PolarHBondContact O-N 3.34Å; S409-F411 PolarHBondContact O-N 3.44Å; S409-I412 PolarHBondContact O-N 2.68Å; S409-S413 WeakPolarHBondContact O-CB 3.35Å; S409-S413 PolarHBondContact O-N 2.93Å; S409-S413 PolarHBondContact O-OG 3.42Å |
| 410 | Y | 76.7 | Confident | 66.1 | Low | 8 Ų | 8 | 28.4 Ų | 28.4 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 174.4 | 171 | -91.8 | 0 | 0 | 0 | 111.7 | Q376 I377 Y380 L406 I407 T408 S413 N414 K416 | Q376-Y410 HydrophobicContact CB-CE2 4.21Å; Q376-Y410 WeakPolarHBondContact CB-OH 3.4Å; Q376-Y410 PolarHBondContact OE1-OH 3.05Å; I377-Y410 HydrophobicContact CD1-CD1 4.37Å; I377-Y410 HydrophobicContact CD1-CE1 4.34Å; I377-Y410 HydrophobicContact CG1-CD1 3.5Å; I377-Y410 VanDerWaalsContact CG1-CD1 3.5Å; I377-Y410 HydrophobicContact CG1-CE1 3.47Å; I377-Y410 VanDerWaalsContact CG1-CE1 3.47Å; I377-Y410 HydrophobicContact CG1-CG 4.26Å; Y380-Y410 HydrophobicContact CD1-CD2 4.16Å; Y380-Y410 HydrophobicContact CD1-CG 4.29Å; Y380-Y410 HydrophobicContact CD2-CD2 4.01Å; Y380-Y410 AromaticContact CG-CD2 3.68Å; Y380-Y410 HydrophobicContact CG-CD2 3.68Å; Y380-Y410 HydrophobicContact CG-CG 4.27Å; L406-Y410 WeakPolarHBondContact O-CB 3.48Å; L406-Y410 PolarHBondContact O-N 2.92Å; I407-Y410 WeakPolarHBondContact O-CB 3.47Å; I407-Y410 PolarHBondContact O-N 3.48Å; T408-Y410 VanDerWaalsContact C-N 3.32Å; T408-Y410 PolarHBondContact O-N 3.44Å; Y410-S413 WeakPolarHBondContact CA-OG 3.31Å; Y410-S413 PolarHBondContact O-OG 2.98Å; Y410-S413 VanDerWaalsContact O-OG 3.1Å; Y410-N414 WeakPolarHBondContact CD2-ND2 3.39Å; Y410-N414 WeakPolarHBondContact CE2-ND2 3.33Å; Y410-N414 WeakPolarHBondContact O-CB 3.27Å; Y410-N414 PolarHBondContact O-N 2.98Å; Y410-N414 PolarHBondContact O-ND2 3.47Å; Y410-K416 HydrophobicContact CE1-CD 4.12Å; Y410-K416 WeakPolarHBondContact OH-CE 3.44Å; Y410-K416 PolarHBondContact OH-NZ 2.94Å |
| 411 | F | 70.8 | Confident | 66.2 | Low | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 176.7 | -74.2 | -53.7 | 0 | 0 | 0 | 112.8 | M250 P359 Y369 Q373 I377 I407 T408 S409 A415 K416 | M250-F411 HydrophobicContact CB-CE1 4.31Å; M250-F411 HydrophobicContact CB-CE2 3.96Å; M250-F411 HydrophobicContact CB-CZ 3.54Å; M250-F411 HydrophobicContact CG-CE2 4.35Å; M250-F411 HydrophobicContact CG-CZ 4.3Å; M250-F411 HydrophobicContact SD-CD2 4.44Å; M250-F411 HydrophobicContact SD-CE2 3.49Å; M250-F411 WeakPolarHBondContact SD-CE2 3.4Å; M250-F411 HydrophobicContact SD-CZ 4.02Å; P359-F411 HydrophobicContact CG-CD2 4.41Å; Y369-F411 HydrophobicContact CD1-CZ 4.48Å; Y369-F411 HydrophobicContact CE1-CE2 4.42Å; Y369-F411 HydrophobicContact CE1-CZ 4.05Å; Q373-F411 HydrophobicContact CG-CE1 4.06Å; Q373-F411 HydrophobicContact CG-CZ 4.39Å; I377-F411 HydrophobicContact CD1-CE1 4.09Å; I377-F411 HydrophobicContact CD1-CE2 4.18Å; I377-F411 HydrophobicContact CD1-CZ 3.49Å; I377-F411 VanDerWaalsContact CD1-CZ 3.49Å; I377-F411 HydrophobicContact CG1-CZ 4.44Å; I407-F411 HydrophobicContact CG2-CD2 3.71Å; I407-F411 HydrophobicContact CG2-CE2 3.29Å; I407-F411 HydrophobicContact CG2-CZ 4.28Å; I407-F411 WeakPolarHBondContact O-CD2 3.5Å; I407-F411 PolarHBondContact O-N 3.36Å; T408-F411 PolarHBondContact O-N 3.43Å; T408-F411 VanDerWaalsContact O-N 3.14Å; S409-F411 PolarHBondContact O-N 3.44Å; F411-A415 PolarHBondContact O-N 3.16Å; F411-K416 HydrophobicContact CD1-CB 3.66Å; F411-K416 HydrophobicContact CE1-CB 4.21Å; F411-K416 PolarHBondContact O-N 3.11Å; F411-K416 VanDerWaalsContact O-N 3.11Å |
| 412 | I | 65.1 | Low | 66.1 | Low | 75 Ų | 75 | 27.2 Ų | 27.2 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.2 | -55.7 | 175.3 | -65.1 | 162.6 | 0 | 0 | 0 | 110.9 | Y358 T408 S409 N414 A415 | Y358-I412 HydrophobicContact CD1-CB 4.07Å; Y358-I412 HydrophobicContact CD1-CD1 4.15Å; Y358-I412 HydrophobicContact CD1-CG1 3.09Å; Y358-I412 HydrophobicContact CD2-CD1 4.31Å; Y358-I412 HydrophobicContact CD2-CG1 3.82Å; Y358-I412 HydrophobicContact CE1-CB 3.78Å; Y358-I412 HydrophobicContact CE1-CG1 3.27Å; Y358-I412 HydrophobicContact CE1-CG2 4.27Å; Y358-I412 HydrophobicContact CE2-CG1 3.94Å; Y358-I412 HydrophobicContact CG-CD1 3.96Å; Y358-I412 HydrophobicContact CG-CG1 3.36Å; T408-I412 HydrophobicContact CG2-CD1 3.87Å; T408-I412 HydrophobicContact CG2-CG1 4.48Å; T408-I412 VanDerWaalsContact O-CG1 3.28Å; T408-I412 WeakPolarHBondContact O-CG1 3.3Å; T408-I412 PolarHBondContact O-N 3.5Å; S409-I412 PolarHBondContact O-N 2.68Å; I412-N414 VanDerWaalsContact C-N 3.33Å; I412-N414 PolarHBondContact O-N 2.88Å; I412-A415 PolarHBondContact O-N 3.13Å |
| 413 | S | 68.4 | Low | 65.5 | Low | 76 Ų | 76 | 27.3 Ų | 27.3 | 53% | 0.531 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.6 | -32.2 | -173.1 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | S409 Y410 | S409-S413 WeakPolarHBondContact O-CB 3.35Å; S409-S413 PolarHBondContact O-N 2.93Å; S409-S413 PolarHBondContact O-OG 3.42Å; Y410-S413 WeakPolarHBondContact CA-OG 3.31Å; Y410-S413 PolarHBondContact O-OG 2.98Å; Y410-S413 VanDerWaalsContact O-OG 3.1Å |
| 414 | N | 68.2 | Low | 65 | Low | 80 Ų | 80 | 30.9 Ų | 30.9 | 43% | 0.428 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 10.2 | -178.3 | -65.3 | -78.1 | 0 | 0 | 0 | 113.6 | Y410 I412 K416 | Y410-N414 WeakPolarHBondContact CD2-ND2 3.39Å; Y410-N414 WeakPolarHBondContact CE2-ND2 3.33Å; Y410-N414 WeakPolarHBondContact O-CB 3.27Å; Y410-N414 PolarHBondContact O-N 2.98Å; Y410-N414 PolarHBondContact O-ND2 3.47Å; I412-N414 VanDerWaalsContact C-N 3.33Å; I412-N414 PolarHBondContact O-N 2.88Å; N414-K416 HydrophobicContact CB-CG 4.16Å; N414-K416 PolarHBondContact O-N 2.91Å |
| 415 | A | 54.7 | Low | 65.2 | Low | 70 Ų | 70 | 31 Ų | 31 | 58% | 0.579 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 30.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F411 I412 | F411-A415 PolarHBondContact O-N 3.16Å; I412-A415 PolarHBondContact O-N 3.13Å |
| 416 | K | 57.1 | Low | 65.4 | Low | 51 Ų | 51 | 30.9 Ų | 30.9 | 22% | 0.222 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 127.7 | -179.2 | -78.3 | -160.1 | -179.6 | -166.4 | 0 | 109.2 | Q373 Q376 Y410 F411 N414 | Q373-K416 HydrophobicContact CG-CD 4.49Å; Q376-K416 VanDerWaalsContact CD-NZ 3.3Å; Y410-K416 HydrophobicContact CE1-CD 4.12Å; Y410-K416 WeakPolarHBondContact OH-CE 3.44Å; Y410-K416 PolarHBondContact OH-NZ 2.94Å; F411-K416 HydrophobicContact CD1-CB 3.66Å; F411-K416 HydrophobicContact CE1-CB 4.21Å; F411-K416 PolarHBondContact O-N 3.11Å; F411-K416 VanDerWaalsContact O-N 3.11Å; N414-K416 HydrophobicContact CB-CG 4.16Å; N414-K416 PolarHBondContact O-N 2.91Å |
| 417 | Q | 51.1 | Low | 65.1 | Low | 52 Ų | 52 | 35.1 Ų | 35.1 | 24% | 0.243 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 142.4 | -173.5 | -65.6 | 179.3 | -8.5 | 0 | 0 | 111.3 | G249 | G249-Q417 WeakPolarHBondContact CA-O 3.23Š|
| 418 | I | 54.1 | Low | 64.8 | Low | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 124.5 | 148.1 | -72 | -170.3 | 0 | 0 | 0 | 106.2 | M250 L352 P359 V421 | M250-I418 HydrophobicContact CE-CD1 3.63Å; M250-I418 HydrophobicContact CE-CG1 4.23Å; L352-I418 HydrophobicContact CD1-CB 4.46Å; L352-I418 HydrophobicContact CD1-CG2 4.15Å; L352-I418 WeakPolarHBondContact CD1-O 3.31Å; P359-I418 HydrophobicContact CB-CD1 3.48Å; P359-I418 VanDerWaalsContact CB-CD1 3.48Å; P359-I418 HydrophobicContact CG-CD1 3.47Å; P359-I418 VanDerWaalsContact CG-CD1 3.47Å; P359-I418 HydrophobicContact CG-CG1 4.47Å; P359-I418 VanDerWaalsContact N-CD1 3.35Å; I418-V421 HydrophobicContact CG2-CG2 4.36Å |
| 419 | F | 54.1 | Low | 64.4 | Low | 38 Ų | 38 | 36 Ų | 36 | 17% | 0.167 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -39.4 | -174.4 | -130.9 | -97.8 | 0 | 0 | 0 | 111.6 | H246 L248 G249 M250 | H246-F419 HydrophobicContact CB-CE2 3.74Å; H246-F419 HydrophobicContact CB-CZ 3.42Å; H246-F419 VanDerWaalsContact CB-CZ 3.42Å; L248-F419 HydrophobicContact CD2-CB 3.63Å; L248-F419 HydrophobicContact CD2-CD1 4.25Å; L248-F419 HydrophobicContact CD2-CG 4.01Å; G249-F419 VanDerWaalsContact N-CD2 3.26Å; M250-F419 PolarHBondContact O-N 2.93Å |
| 420 | T | 60.7 | Low | 63.5 | Low | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 144.4 | -174.4 | -38.9 | 0 | 0 | 0 | 0 | 110.9 | I251 Q252 V349 Y422 | I251-T420 WeakPolarHBondContact CA-O 3.34Å; I251-T420 WeakPolarHBondContact CG2-O 3.3Å; Q252-T420 PolarHBondContact N-O 2.96Å; Q252-T420 VanDerWaalsContact N-O 3.07Å; V349-T420 HydrophobicContact CB-CG2 4.01Å; V349-T420 HydrophobicContact CG1-CG2 3.35Å; V349-T420 HydrophobicContact CG2-CG2 4.46Å; T420-Y422 HydrophobicContact CG2-CD2 3.85Å; T420-Y422 HydrophobicContact CG2-CE2 3.45Å; T420-Y422 VanDerWaalsContact CG2-CE2 3.45Å |
| 421 | V | 59.5 | Low | 61.9 | Low | 12 Ų | 12 | 34.3 Ų | 34.3 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.3 | 165.2 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | Q252 I418 M423 | Q252-V421 HydrophobicContact CB-CG1 4.26Å; Q252-V421 HydrophobicContact CB-CG2 4.19Å; Q252-V421 HydrophobicContact CG-CG1 4.47Å; Q252-V421 CarbonylContact O-C 3.16Å; Q252-V421 WeakPolarHBondContact O-CA 3.38Å; I418-V421 HydrophobicContact CG2-CG2 4.36Å; V421-M423 HydrophobicContact CG1-CG 4.46Å; V421-M423 HydrophobicContact CG1-SD 4.02Å |
| 422 | Y | 63.2 | Low | 60.4 | Low | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | trans | -110.4 | 141.2 | 167.2 | -80.6 | -102.7 | 0 | 0 | 0 | 108.6 | I231 L235 I251 Q252 L253 D347 V349 T420 L425 | I231-Y422 HydrophobicContact CG2-CD1 3.83Å; I231-Y422 HydrophobicContact CG2-CE1 3.7Å; L235-Y422 HydrophobicContact CD1-CD2 4.07Å; L235-Y422 HydrophobicContact CD1-CE1 4.5Å; L235-Y422 HydrophobicContact CD1-CE2 3.73Å; L235-Y422 HydrophobicContact CD2-CD2 4.34Å; L235-Y422 HydrophobicContact CD2-CE2 3.31Å; L235-Y422 WeakPolarHBondContact CD2-OH 3.2Å; L235-Y422 HydrophobicContact CG-CE2 3.88Å; I251-Y422 HydrophobicContact CG2-CD2 3.77Å; I251-Y422 HydrophobicContact CG2-CE2 4.31Å; Q252-Y422 PolarHBondContact O-N 3.43Å; L253-Y422 CarbonylContact C-O 3.52Å; D347-Y422 HydrophobicContact CB-CD1 4.45Å; D347-Y422 HydrophobicContact CB-CE1 3.91Å; D347-Y422 WeakPolarHBondContact OD1-CE1 3.48Å; V349-Y422 HydrophobicContact CG2-CE1 3.75Å; V349-Y422 HydrophobicContact CG2-CE2 4.09Å; V349-Y422 VanDerWaalsContact CG2-CZ 3.46Å; V349-Y422 VanDerWaalsContact CG2-OH 3.28Å; V349-Y422 WeakPolarHBondContact CG2-OH 3.22Å; T420-Y422 HydrophobicContact CG2-CD2 3.85Å; T420-Y422 HydrophobicContact CG2-CE2 3.45Å; T420-Y422 VanDerWaalsContact CG2-CE2 3.45Å; Y422-L425 VanDerWaalsContact CB-CD1 3.49Å; Y422-L425 HydrophobicContact CD1-CD1 4.32Å; Y422-L425 HydrophobicContact CG-CD1 4.07Å | ||
| 423 | M | 59.1 | Low | 59.1 | Low | 28 Ų | 28 | 35.6 Ų | 35.6 | 14% | 0.138 | 19% | 0.19 | C | C | . | . | trans | -112 | 144.6 | -174.2 | -57.8 | -82.3 | -83.8 | 0 | 0 | 108.5 | N258 F336 V348 V421 L425 | N258-M423 HydrophobicContact CB-CE 3.7Å; N258-M423 WeakPolarHBondContact ND2-CE 3.31Å; N258-M423 PolarHBondContact ND2-SD 2.67Å; N258-M423 VanDerWaalsContact OD1-CE 3.27Å; N258-M423 WeakPolarHBondContact OD1-CE 3.38Å; F336-M423 HydrophobicContact CE1-CE 4.5Å; V348-M423 HydrophobicContact CB-CG 4.3Å; V421-M423 HydrophobicContact CG1-CG 4.46Å; V421-M423 HydrophobicContact CG1-SD 4.02Å; M423-L425 VanDerWaalsContact C-N 3.31Å; M423-L425 PolarHBondContact O-N 3.17Å | ||
| 424 | N | 61.9 | Low | 57.5 | Low | 86 Ų | 86 | 36.3 Ų | 36.3 | 46% | 0.46 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 67.6 | 15.8 | 172.9 | -47.6 | -37.2 | 0 | 0 | 0 | 116.6 | I225 F426 | I225-N424 WeakPolarHBondContact CD1-O 3.43Å; I225-N424 WeakPolarHBondContact CG2-O 3.27Å; N424-F426 PolarHBondContact O-N 3.36Å |
| 425 | L | 74.5 | Confident | 56 | Low | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -68.6 | -20.8 | 174.2 | -79 | 174.8 | 0 | 0 | 0 | 113.9 | I225 L228 I231 L253 Y422 M423 | I225-L425 HydrophobicContact CD1-CD2 3.98Å; I225-L425 HydrophobicContact CG1-CD2 4.32Å; I225-L425 WeakPolarHBondContact CG1-O 3.49Å; I225-L425 PolarHBondContact N-O 3.28Å; I225-L425 VanDerWaalsContact N-O 3.11Å; L228-L425 HydrophobicContact CD1-CB 4.49Å; L228-L425 HydrophobicContact CD1-CD2 4.31Å; I231-L425 HydrophobicContact CB-CD2 4.05Å; I231-L425 HydrophobicContact CD1-CD2 3.32Å; I231-L425 HydrophobicContact CG1-CD2 4.25Å; I231-L425 HydrophobicContact CG2-CD1 4.15Å; I231-L425 HydrophobicContact CG2-CD2 4.01Å; L253-L425 HydrophobicContact CB-CB 4.31Å; L253-L425 HydrophobicContact CB-CD1 3.85Å; L253-L425 HydrophobicContact CD1-CD1 4.4Å; L253-L425 HydrophobicContact CD2-CD1 3.48Å; L253-L425 VanDerWaalsContact CD2-CD1 3.48Å; L253-L425 HydrophobicContact CG-CD1 4.08Å; Y422-L425 VanDerWaalsContact CB-CD1 3.49Å; Y422-L425 HydrophobicContact CD1-CD1 4.32Å; Y422-L425 HydrophobicContact CG-CD1 4.07Å; M423-L425 VanDerWaalsContact C-N 3.31Å; M423-L425 PolarHBondContact O-N 3.17Å |
| 426 | F | 75.4 | Confident | 55.1 | Low | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.6 | 176.2 | -65.8 | -89.6 | 0 | 0 | 0 | 108.6 | L216 I218 M222 I223 A224 L228 L253 Y254 A366 N424 | L216-F426 HydrophobicContact CD1-CZ 4.44Å; L216-F426 HydrophobicContact CD2-CZ 4.14Å; I218-F426 HydrophobicContact CD1-CE1 4.47Å; I218-F426 HydrophobicContact CG2-CE1 3.9Å; I218-F426 HydrophobicContact CG2-CE2 4.44Å; I218-F426 HydrophobicContact CG2-CZ 3.85Å; M222-F426 HydrophobicContact CB-CB 4.34Å; M222-F426 HydrophobicContact CB-CD1 3.96Å; M222-F426 HydrophobicContact CB-CG 4.41Å; M222-F426 HydrophobicContact SD-CB 3.78Å; M222-F426 HydrophobicContact SD-CG 4.48Å; I223-F426 CarbonylContact O-C 3.51Å; I223-F426 VanDerWaalsContact O-CA 3.32Å; I223-F426 WeakPolarHBondContact O-CA 3.07Å; A224-F426 HydrophobicContact CB-CD1 4.17Å; A224-F426 HydrophobicContact CB-CE1 3.85Å; L228-F426 HydrophobicContact CD1-CE2 3.92Å; L228-F426 HydrophobicContact CD1-CZ 3.73Å; L228-F426 HydrophobicContact CD2-CE1 4.15Å; L228-F426 HydrophobicContact CD2-CZ 3.86Å; L228-F426 HydrophobicContact CG-CZ 4.48Å; L253-F426 HydrophobicContact CB-CD2 4.15Å; L253-F426 HydrophobicContact CB-CE2 3.94Å; L253-F426 HydrophobicContact CD1-CE2 3.85Å; Y254-F426 HydrophobicContact CD2-CB 4.32Å; Y254-F426 WeakPolarHBondContact CD2-O 3.45Å; Y254-F426 WeakPolarHBondContact CE2-O 3.42Å; Y254-F426 HydrophobicContact CG-CB 4.4Å; A366-F426 HydrophobicContact CB-CD2 3.47Å; A366-F426 VanDerWaalsContact CB-CD2 3.47Å; A366-F426 HydrophobicContact CB-CE2 3.69Å; A366-F426 HydrophobicContact CB-CG 4.04Å; A366-F426 HydrophobicContact CB-CZ 4.39Å; N424-F426 PolarHBondContact O-N 3.36Å |
| 427 | K | 72.4 | Confident | 54 | Low | 101 Ų | 101 | 38.9 Ų | 38.9 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.5 | 164.7 | -65.9 | -173.3 | 173.8 | -165.6 | 0 | 108.2 | M222 I223 I225 | M222-K427 WeakPolarHBondContact CA-O 3.03Å; I223-K427 PolarHBondContact N-O 3.12Å; I223-K427 PolarHBondContact O-N 2.83Å; I225-K427 HydrophobicContact CG2-CG 4.46Å |
| 428 | H | 70.3 | Confident | 53 | Low | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.7 | 171.9 | 178.7 | -88.3 | 0 | 0 | 0 | 109.2 | D221 M222 Y254 G430 S433 | D221-H428 IonicContact OD2-CD2 2.81Å; D221-H428 IonicContact OD2-NE2 3.14Å; D221-H428 PolarHBondContact OD2-NE2 3.08Å; M222-H428 HydrophobicContact CE-CB 3.72Å; M222-H428 WeakPolarHBondContact CE-CD2 3.35Å; Y254-H428 HydrophobicContact CE1-CB 4.21Å; Y254-H428 WeakPolarHBondContact OH-CB 3.28Å; H428-G430 PolarHBondContact CE1-O 3.07Å; H428-S433 VanDerWaalsContact NE2-CB 3.28Å; H428-S433 WeakPolarHBondContact NE2-CB 3.38Å |
| 429 | C | 62.7 | Low | 51.9 | Low | 18 Ų | 18 | 51.3 Ų | 51.3 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | trans | -115.6 | 0.8 | 179.3 | -70.2 | 0 | 0 | 0 | 0 | 113.4 | Y113 D221 I223 | Y113-C429 WeakPolarHBondContact CE1-O 3.33Å; D221-C429 PolarHBondContact O-N 3.32Å; I223-C429 HydrophobicContact CD1-CB 3.94Å; I223-C429 WeakPolarHBondContact CD1-SG 3.25Å; I223-C429 HydrophobicContact CG1-CB 4.24Å | ||
| 430 | G | 53 | Low | 50.6 | Low | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -72 | 133.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | H428 Y432 | H428-G430 PolarHBondContact CE1-O 3.07Å; G430-Y432 VanDerWaalsContact C-N 3.26Å; G430-Y432 PolarHBondContact O-N 3.32Å | ||
| 431 | L | 43.9 | Very low | 49 | Very low | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -74 | -15.3 | 170.8 | -82.8 | 169.2 | 0 | 0 | 0 | 114 | Y113 L445 V450 | Y113-L431 WeakPolarHBondContact OH-CB 3.36Å; Y113-L431 WeakPolarHBondContact OH-CD1 3.46Å; Y113-L431 WeakPolarHBondContact OH-CG 3.47Å; L431-L445 HydrophobicContact CB-CD2 3.71Å; L431-L445 HydrophobicContact CD1-CD2 3.53Å; L431-L445 HydrophobicContact CD2-CD2 3.35Å; L431-L445 HydrophobicContact CG-CD2 3.7Å; L431-V450 HydrophobicContact CD2-CG2 3.06Å; L431-V450 HydrophobicContact CG-CG2 3.93Å |
| 432 | Y | 39.9 | Very low | 47.5 | Very low | 94 Ų | 94 | 73 Ų | 73 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | trans | -135.1 | 65.3 | -169.5 | -60 | -80.2 | 0 | 0 | 0 | 111.2 | D107 G430 N434 L445 | D107-Y432 HydrophobicContact CB-CE2 4.25Å; G430-Y432 VanDerWaalsContact C-N 3.26Å; G430-Y432 PolarHBondContact O-N 3.32Å; Y432-N434 VanDerWaalsContact C-N 3.29Å; Y432-L445 HydrophobicContact CE2-CD2 4.29Å | ||
| 433 | S | 36 | Very low | 45.8 | Very low | 9 Ų | 9 | 79.6 Ų | 79.6 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | trans | -86.1 | 0.8 | 167.2 | 53 | 0 | 0 | 0 | 0 | 114.2 | H428 E435 | H428-S433 VanDerWaalsContact NE2-CB 3.28Å; H428-S433 WeakPolarHBondContact NE2-CB 3.38Å; S433-E435 PolarHBondContact O-N 3Å | ||
| 434 | N | 34.9 | Very low | 44.5 | Very low | 92 Ų | 92 | 84.2 Ų | 84.2 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | trans | -93.5 | 78.9 | -177.1 | -62.8 | -23.4 | 0 | 0 | 0 | 110 | Y432 | Y432-N434 VanDerWaalsContact C-N 3.29Š| ||
| 435 | E | 37.4 | Very low | 43.2 | Very low | 93 Ų | 93 | 80.9 Ų | 80.9 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | trans | -83.1 | 11.9 | 160.8 | -76.3 | -178 | 154.4 | 0 | 0 | 112 | S433 | S433-E435 PolarHBondContact O-N 3Š| ||
| 436 | E | 35.8 | Very low | 41.3 | Very low | 48 Ų | 48 | 84.7 Ų | 84.7 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | trans | -125.2 | 58.8 | -174.5 | -68.7 | 176.5 | -165.7 | 0 | 0 | 112.4 | N399 E400 S401 | N399-E436 WeakPolarHBondContact CA-OE2 3.34Å; E400-E436 WeakPolarHBondContact CA-OE1 3.24Å; E400-E436 PolarHBondContact N-OE2 2.96Å; S401-E436 WeakPolarHBondContact CA-OE1 3.43Å; S401-E436 PolarHBondContact N-OE1 3.36Å | ||
| 437 | E | 33.1 | Very low | 39.5 | Very low | 114 Ų | 114 | 85.8 Ų | 85.8 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | trans | -136.7 | 80.3 | 149.7 | -76.4 | -172 | 150.6 | 0 | 0 | 107.4 | E439 R443 | E437-E439 PolarHBondContact O-N 3.02Å; E437-R443 IonicContact OE1-CZ 3.82Å; E437-R443 IonicContact OE1-NH1 2.81Å; E437-R443 PolarHBondContact OE1-NH1 3.45Å; E437-R443 WeakPolarHBondContact OE2-CD 3.46Å; E437-R443 IonicContact OE2-CZ 3.37Å; E437-R443 IonicContact OE2-NE 3.62Å; E437-R443 IonicContact OE2-NH1 2.77Å; E437-R443 PolarHBondContact OE2-NH1 3Å | ||
| 438 | E | 30.9 | Very low | 37.9 | Very low | 121 Ų | 121 | 81.5 Ų | 81.5 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -59.5 | 115.8 | 151.7 | -80.7 | -179.5 | 161.5 | 0 | 0 | 106.8 | ||
| 439 | E | 31.4 | Very low | 36.2 | Very low | 193 Ų | 193 | 81.6 Ų | 81.6 | 90% | 0.902 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 113.6 | -14 | 159.1 | -61.7 | -164.9 | 154.3 | 0 | 0 | 121.1 | E437 | E437-E439 PolarHBondContact O-N 3.02Š|
| 440 | E | 27.2 | Very low | 35 | Very low | 135 Ų | 135 | 81.6 Ų | 81.6 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -135.9 | 100.2 | 174.5 | -78.2 | -171.9 | 168.1 | 0 | 0 | 114.8 | ||
| 441 | E | 26.8 | Very low | 34.2 | Very low | 174 Ų | 174 | 84.7 Ų | 84.7 | 81% | 0.813 | 40% | 0.399 | S | S | * | . | trans | 66.9 | 144.5 | 156.3 | -63.8 | -173.5 | 150.1 | 0 | 0 | 117.8 | R443 | E441-R443 PolarHBondContact O-N 3.13Š| ||
| 442 | K | 28.1 | Very low | 34 | Very low | 200 Ų | 200 | 89.7 Ų | 89.7 | 87% | 0.87 | 42% | 0.418 | S | S | * | . | trans | -50.4 | 80.1 | 163.4 | -62.3 | 171.3 | 176.4 | -179.8 | 0 | 110.1 | I444 | K442-I444 PolarHBondContact O-N 3.49Š| ||
| 443 | R | 27.6 | Very low | 33.7 | Very low | 143 Ų | 143 | 89.5 Ų | 89.5 | 54% | 0.54 | 42% | 0.42 | S | S | . | . | trans | -81 | 95 | 177.8 | -78.1 | -167.9 | -174.7 | 159.6 | 3.2 | 110 | E437 E441 L445 | E437-R443 IonicContact OE1-CZ 3.82Å; E437-R443 IonicContact OE1-NH1 2.81Å; E437-R443 PolarHBondContact OE1-NH1 3.45Å; E437-R443 WeakPolarHBondContact OE2-CD 3.46Å; E437-R443 IonicContact OE2-CZ 3.37Å; E437-R443 IonicContact OE2-NE 3.62Å; E437-R443 IonicContact OE2-NH1 2.77Å; E437-R443 PolarHBondContact OE2-NH1 3Å; E441-R443 PolarHBondContact O-N 3.13Å; R443-L445 PolarHBondContact O-N 2.92Å | ||
| 444 | I | 31.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 93.7 Ų | 93.7 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | trans | -38.2 | 123.1 | 152.5 | -64.7 | 163.6 | 0 | 0 | 0 | 109.3 | I45 K442 | I45-I444 HydrophobicContact CD1-CG2 4.24Å; K442-I444 PolarHBondContact O-N 3.49Å | ||
| 445 | L | 34.3 | Very low | 33.5 | Very low | 17 Ų | 17 | 93.8 Ų | 93.8 | 9% | 0.089 | 44% | 0.436 | C | S | . | . | trans | 29.4 | 105.6 | 149.4 | -63.2 | 162.1 | 0 | 0 | 0 | 115.8 | I45 L431 Y432 R443 P447 | I45-L445 HydrophobicContact CG2-CB 3.71Å; I45-L445 HydrophobicContact CG2-CD1 3.31Å; I45-L445 HydrophobicContact CG2-CG 4.08Å; L431-L445 HydrophobicContact CB-CD2 3.71Å; L431-L445 HydrophobicContact CD1-CD2 3.53Å; L431-L445 HydrophobicContact CD2-CD2 3.35Å; L431-L445 HydrophobicContact CG-CD2 3.7Å; Y432-L445 HydrophobicContact CE2-CD2 4.29Å; R443-L445 PolarHBondContact O-N 2.92Å; L445-P447 WeakPolarHBondContact O-CD 3.48Å | ||
| 446 | N | 35.9 | Very low | 33.3 | Very low | 82 Ų | 82 | 93.9 Ų | 93.9 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | trans | -91 | 107.8 | 159.6 | -163.3 | -13.9 | 0 | 0 | 0 | 108.6 | A448 D449 | N446-A448 PolarHBondContact O-N 3.36Å; N446-A448 WeakPolarHBondContact OD1-CB 3.36Å; N446-A448 PolarHBondContact OD1-N 3.15Å; N446-D449 PolarHBondContact O-N 3.36Å; N446-D449 VanDerWaalsContact O-N 3.14Å | ||
| 447 | P | 36.6 | Very low | 33.1 | Very low | 24 Ų | 24 | 96.8 Ų | 96.8 | 16% | 0.156 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 0.3 | -175.5 | 1.2 | 12.6 | 0 | 0 | 0 | 113.1 | Y265 L445 D449 | Y265-P447 VanDerWaalsContact CD1-C 3.49Å; Y265-P447 HydrophobicContact CD1-CB 3.41Å; Y265-P447 VanDerWaalsContact CD1-CB 3.41Å; Y265-P447 HydrophobicContact CD1-CG 3.92Å; Y265-P447 WeakPolarHBondContact CD1-O 3.48Å; Y265-P447 HydrophobicContact CD2-CB 4.47Å; Y265-P447 HydrophobicContact CD2-CG 4.49Å; Y265-P447 HydrophobicContact CE1-CB 3.48Å; Y265-P447 VanDerWaalsContact CE1-CB 3.48Å; Y265-P447 HydrophobicContact CE1-CG 3.46Å; Y265-P447 VanDerWaalsContact CE1-CG 3.46Å; Y265-P447 HydrophobicContact CE2-CG 4.13Å; Y265-P447 HydrophobicContact CG-CB 3.94Å; Y265-P447 HydrophobicContact CG-CG 4.4Å; L445-P447 WeakPolarHBondContact O-CD 3.48Å; P447-D449 VanDerWaalsContact C-N 3.29Å |
| 448 | A | 38.5 | Very low | 33.1 | Very low | 11 Ų | 11 | 95.6 Ų | 95.6 | 9% | 0.091 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.5 | R270 N446 | R270-A448 PolarHBondContact NH2-O 3.34Å; N446-A448 PolarHBondContact O-N 3.36Å; N446-A448 WeakPolarHBondContact OD1-CB 3.36Å; N446-A448 PolarHBondContact OD1-N 3.15Å |
| 449 | D | 36 | Very low | 33.3 | Very low | 7 Ų | 7 | 93.8 Ų | 93.8 | 4% | 0.037 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -89 | -7.1 | -171.5 | -65.4 | -41.1 | 0 | 0 | 0 | 114.4 | Y256 N446 P447 | Y256-D449 PolarHBondContact OH-OD1 2.96Å; N446-D449 PolarHBondContact O-N 3.36Å; N446-D449 VanDerWaalsContact O-N 3.14Å; P447-D449 VanDerWaalsContact C-N 3.29Å |
| 450 | V | 35.8 | Very low | 33.4 | Very low | 19 Ų | 19 | 86.2 Ų | 86.2 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | trans | -90 | 102.1 | 171.3 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | V52 L431 | V52-V450 HydrophobicContact CG2-CG1 4.04Å; L431-V450 HydrophobicContact CD2-CG2 3.06Å; L431-V450 HydrophobicContact CG-CG2 3.93Å | ||
| 451 | E | 36.2 | Very low | 34 | Very low | 66 Ų | 66 | 82.1 Ų | 82.1 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | trans | -84.8 | 122.5 | 165.8 | -74.1 | -166.5 | 144.3 | 0 | 0 | 110.4 | V259 | V259-E451 HydrophobicContact CG1-CG 4.38Å; V259-E451 WeakPolarHBondContact CG1-OE1 3.43Å | ||
| 452 | Y | 40.6 | Very low | 34.6 | Very low | 118 Ų | 118 | 73.7 Ų | 73.7 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | trans | -75.6 | 0 | 172 | -74.5 | -73.7 | 0 | 0 | 0 | 112.9 | H48 V52 P267 | H48-Y452 PolarHBondContact ND1-OH 3.34Å; V52-Y452 HydrophobicContact CG2-CE1 3.9Å; P267-Y452 HydrophobicContact CG-CD2 4.45Å |
Retrieved 452 of 452 residues in 710.5 ms
(Link to these results)