| 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 | 42 | Very low | 61.3 | Low | 214 Ų | 214 | 106 Ų | 106 | 100% | 1.054 | 55% | 0.553 | S | S | * | * | 0 | 126.9 | 0 | -155.3 | 175.9 | -85.4 | 0 | 0 | 107 | |||||
| 2 | L | 52.6 | Low | 62.2 | Low | 118 Ų | 118 | 98.8 Ų | 98.8 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | trans | -65.1 | 138.7 | -144.3 | -67.5 | 118.5 | 0 | 0 | 0 | 116.4 | F4 L5 D6 | L2-F4 HydrophobicContact CD2-CD2 4.27Å; L2-F4 PolarHBondContact O-N 3.24Å; L2-F4 VanDerWaalsContact O-N 3.08Å; L2-L5 WeakPolarHBondContact O-CB 3.02Å; L2-L5 PolarHBondContact O-N 2.84Å; L2-D6 PolarHBondContact O-N 3.48Å | ||
| 3 | P | 57.6 | Low | 63.3 | Low | 101 Ų | 101 | 97.8 Ų | 97.8 | 66% | 0.656 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.1 | -24.7 | 174.2 | 22.4 | -32.4 | 0 | 0 | 0 | 113.5 | D6 A7 | P3-D6 PolarHBondContact O-N 2.88Å; P3-A7 WeakPolarHBondContact O-CB 3.18Å; P3-A7 PolarHBondContact O-N 2.99Å |
| 4 | F | 59.8 | Low | 64.3 | Low | 162 Ų | 162 | 97.3 Ų | 97.3 | 71% | 0.711 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -37 | 172.5 | -63.7 | -76.2 | 0 | 0 | 0 | 113.3 | L2 A8 | L2-F4 HydrophobicContact CD2-CD2 4.27Å; L2-F4 PolarHBondContact O-N 3.24Å; L2-F4 VanDerWaalsContact O-N 3.08Å; F4-A8 WeakPolarHBondContact O-CB 3.49Å; F4-A8 PolarHBondContact O-N 3.22Å |
| 5 | L | 62.6 | Low | 65.1 | Low | 56 Ų | 56 | 91.5 Ų | 91.5 | 29% | 0.293 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 177.7 | -169.6 | 75 | 0 | 0 | 0 | 110.3 | L2 A8 L9 I38 | L2-L5 WeakPolarHBondContact O-CB 3.02Å; L2-L5 PolarHBondContact O-N 2.84Å; L5-A8 PolarHBondContact O-N 3.02Å; L5-L9 HydrophobicContact CD2-CD1 4.36Å; L5-L9 HydrophobicContact CG-CD1 3.97Å; L5-L9 HydrophobicContact CG-CG 4.39Å; L5-L9 VanDerWaalsContact O-CB 3.31Å; L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 WeakPolarHBondContact O-CG 3.28Å; L5-L9 PolarHBondContact O-N 3.37Å; L5-I38 HydrophobicContact CD2-CD1 4.17Å |
| 6 | D | 65.5 | Low | 65.6 | Low | 79 Ų | 79 | 91.9 Ų | 91.9 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 174.9 | -172.4 | 31.9 | 0 | 0 | 0 | 110.9 | L2 P3 A8 L9 R10 | L2-D6 PolarHBondContact O-N 3.48Å; P3-D6 PolarHBondContact O-N 2.88Å; D6-A8 PolarHBondContact O-N 3.46Å; D6-L9 PolarHBondContact O-N 3.33Å; D6-R10 WeakPolarHBondContact O-CB 3.41Å; D6-R10 WeakPolarHBondContact O-CG 3.27Å; D6-R10 PolarHBondContact O-N 2.61Å; D6-R10 IonicContact OD1-CZ 3.15Å; D6-R10 IonicContact OD1-NE 2.87Å; D6-R10 PolarHBondContact OD1-NE 3.23Å; D6-R10 IonicContact OD1-NH2 2.71Å; D6-R10 IonicContact OD2-CZ 3.36Å; D6-R10 VanDerWaalsContact OD2-CZ 3.27Å; D6-R10 IonicContact OD2-NE 3.3Å; D6-R10 PolarHBondContact OD2-NE 2.96Å; D6-R10 IonicContact OD2-NH2 2.94Å; D6-R10 PolarHBondContact OD2-NH2 2.84Å |
| 7 | A | 65.1 | Low | 66.3 | Low | 48 Ų | 48 | 87.6 Ų | 87.6 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P3 R10 N11 | P3-A7 WeakPolarHBondContact O-CB 3.18Å; P3-A7 PolarHBondContact O-N 2.99Å; A7-R10 PolarHBondContact O-N 3.24Å; A7-N11 VanDerWaalsContact O-CG 3.28Å; A7-N11 PolarHBondContact O-N 3.42Å; A7-N11 VanDerWaalsContact O-N 3.09Å; A7-N11 PolarHBondContact O-ND2 3.19Å; A7-N11 VanDerWaalsContact O-ND2 3.11Å |
| 8 | A | 64.9 | Low | 67.2 | Low | 48 Ų | 48 | 83.1 Ų | 83.1 | 40% | 0.397 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F4 L5 D6 R10 N11 I12 | F4-A8 WeakPolarHBondContact O-CB 3.49Å; F4-A8 PolarHBondContact O-N 3.22Å; L5-A8 PolarHBondContact O-N 3.02Å; D6-A8 PolarHBondContact O-N 3.46Å; A8-R10 PolarHBondContact O-N 3.47Å; A8-N11 WeakPolarHBondContact O-CB 3.33Å; A8-N11 PolarHBondContact O-N 2.9Å; A8-I12 WeakPolarHBondContact O-CG1 3.43Å; A8-I12 PolarHBondContact O-N 3.32Å |
| 9 | L | 68.9 | Low | 68.2 | Low | 70 Ų | 70 | 79.5 Ų | 79.5 | 37% | 0.366 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.6 | -71.6 | 171.2 | 0 | 0 | 0 | 111.8 | L5 D6 N11 I12 L31 L34 | L5-L9 HydrophobicContact CD2-CD1 4.36Å; L5-L9 HydrophobicContact CG-CD1 3.97Å; L5-L9 HydrophobicContact CG-CG 4.39Å; L5-L9 VanDerWaalsContact O-CB 3.31Å; L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 WeakPolarHBondContact O-CG 3.28Å; L5-L9 PolarHBondContact O-N 3.37Å; D6-L9 PolarHBondContact O-N 3.33Å; L9-N11 VanDerWaalsContact C-N 3.27Å; L9-N11 PolarHBondContact O-N 2.71Å; L9-I12 PolarHBondContact O-N 2.93Å; L9-I12 VanDerWaalsContact O-N 3.12Å; L9-L31 HydrophobicContact CD2-CD2 3.88Å; L9-L34 HydrophobicContact CD2-CD1 4.32Å |
| 10 | R | 65.8 | Low | 69.2 | Low | 174 Ų | 174 | 82.3 Ų | 82.3 | 66% | 0.657 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.6 | -32.1 | 174.1 | -74.1 | 173.4 | -170.8 | -120.8 | 10.4 | 112.9 | D6 A7 A8 I12 | D6-R10 WeakPolarHBondContact O-CB 3.41Å; D6-R10 WeakPolarHBondContact O-CG 3.27Å; D6-R10 PolarHBondContact O-N 2.61Å; D6-R10 IonicContact OD1-CZ 3.15Å; D6-R10 IonicContact OD1-NE 2.87Å; D6-R10 PolarHBondContact OD1-NE 3.23Å; D6-R10 IonicContact OD1-NH2 2.71Å; D6-R10 IonicContact OD2-CZ 3.36Å; D6-R10 VanDerWaalsContact OD2-CZ 3.27Å; D6-R10 IonicContact OD2-NE 3.3Å; D6-R10 PolarHBondContact OD2-NE 2.96Å; D6-R10 IonicContact OD2-NH2 2.94Å; D6-R10 PolarHBondContact OD2-NH2 2.84Å; A7-R10 PolarHBondContact O-N 3.24Å; A8-R10 PolarHBondContact O-N 3.47Å; R10-I12 VanDerWaalsContact C-N 3.28Å |
| 11 | N | 69 | Low | 70.3 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.5 | -20.1 | 176 | -75.1 | -32.2 | 0 | 0 | 0 | 113.1 | A7 A8 L9 H13 | A7-N11 VanDerWaalsContact O-CG 3.28Å; A7-N11 PolarHBondContact O-N 3.42Å; A7-N11 VanDerWaalsContact O-N 3.09Å; A7-N11 PolarHBondContact O-ND2 3.19Å; A7-N11 VanDerWaalsContact O-ND2 3.11Å; A8-N11 WeakPolarHBondContact O-CB 3.33Å; A8-N11 PolarHBondContact O-N 2.9Å; L9-N11 VanDerWaalsContact C-N 3.27Å; L9-N11 PolarHBondContact O-N 2.71Å; N11-H13 VanDerWaalsContact C-N 3.29Å; N11-H13 PolarHBondContact O-N 3.4Å; N11-H13 VanDerWaalsContact O-N 3.12Å; N11-H13 PolarHBondContact O-ND1 2.97Å |
| 12 | I | 72.5 | Confident | 72.7 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | trans | -84.8 | 74.4 | 172.3 | -58.2 | 164.8 | 0 | 0 | 0 | 108.2 | A8 L9 R10 Y27 T30 L31 L34 Y114 | A8-I12 WeakPolarHBondContact O-CG1 3.43Å; A8-I12 PolarHBondContact O-N 3.32Å; L9-I12 PolarHBondContact O-N 2.93Å; L9-I12 VanDerWaalsContact O-N 3.12Å; R10-I12 VanDerWaalsContact C-N 3.28Å; I12-Y27 HydrophobicContact CG2-CD2 3.48Å; I12-Y27 VanDerWaalsContact CG2-CD2 3.48Å; I12-Y27 HydrophobicContact CG2-CE2 3.9Å; I12-Y27 HydrophobicContact CG2-CG 4.41Å; I12-Y27 WeakPolarHBondContact O-CE2 3.35Å; I12-T30 HydrophobicContact CD1-CG2 4.04Å; I12-L31 HydrophobicContact CG2-CD2 4.38Å; I12-L31 HydrophobicContact CG2-CG 4.39Å; I12-L34 HydrophobicContact CD1-CD1 4Å; I12-Y114 HydrophobicContact CG1-CD2 4.42Å; I12-Y114 HydrophobicContact CG1-CE2 4.26Å | ||
| 13 | H | 76.3 | Confident | 74.6 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 40% | 0.398 | 33% | 0.329 | S | S | . | . | trans | -104.5 | 150.6 | 167.8 | 55.3 | -89.2 | 0 | 0 | 0 | 110.6 | N11 Q15 | N11-H13 VanDerWaalsContact C-N 3.29Å; N11-H13 PolarHBondContact O-N 3.4Å; N11-H13 VanDerWaalsContact O-N 3.12Å; N11-H13 PolarHBondContact O-ND1 2.97Å; H13-Q15 PolarHBondContact O-N 3.24Å | ||
| 14 | K | 77.7 | Confident | 76.3 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | trans | -61.3 | 134 | 169.3 | -63.8 | -179.9 | -177.5 | 177.9 | 0 | 108.7 | Y26 Y27 Y28 | K14-Y26 WeakPolarHBondContact CA-OH 3.5Å; K14-Y27 HydrophobicContact CD-CE1 4.46Å; K14-Y27 VanDerWaalsContact CE-CE1 3.41Å; K14-Y27 HydrophobicContact CG-CD1 4.29Å; K14-Y27 HydrophobicContact CG-CD2 4.16Å; K14-Y27 HydrophobicContact CG-CE1 4.19Å; K14-Y27 HydrophobicContact CG-CE2 4.08Å; K14-Y27 HydrophobicContact CG-CG 4.29Å; K14-Y28 PolarHBondContact NZ-OH 2.89Å | ||
| 15 | Q | 76.9 | Confident | 78 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | trans | -87.8 | 167.6 | -178.9 | -68 | 175.4 | -13.1 | 0 | 0 | 111 | H13 Y17 D18 R23 Y26 N117 | H13-Q15 PolarHBondContact O-N 3.24Å; Q15-Y17 HydrophobicContact CB-CD2 4.26Å; Q15-Y17 HydrophobicContact CB-CE2 3.98Å; Q15-Y17 VanDerWaalsContact CD-CE2 3.47Å; Q15-Y17 HydrophobicContact CG-CE2 4.18Å; Q15-D18 HydrophobicContact CB-CB 4.35Å; Q15-D18 PolarHBondContact N-OD2 3.38Å; Q15-R23 PolarHBondContact O-NH2 2.82Å; Q15-Y26 PolarHBondContact N-OH 3.44Å; Q15-N117 VanDerWaalsContact NE2-CG 3.26Å; Q15-N117 PolarHBondContact NE2-ND2 3.08Å; Q15-N117 PolarHBondContact NE2-OD1 2.88Å; Q15-N117 PolarHBondContact OE1-OD1 3.31Å | ||
| 16 | Y | 72.3 | Confident | 79.5 | Confident | 98 Ų | 98 | 52.2 Ų | 52.2 | 38% | 0.384 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -92.5 | -1 | 177 | -68.3 | -80.8 | 0 | 0 | 0 | 113.4 | L135 E136 H355 | Y16-L135 VanDerWaalsContact O-CD1 3.27Å; Y16-L135 WeakPolarHBondContact O-CD1 3.4Å; Y16-E136 HydrophobicContact CD2-CG 4.18Å; Y16-E136 HydrophobicContact CE2-CG 4.04Å; Y16-H355 WeakPolarHBondContact CA-NE2 3.48Å; Y16-H355 PolarHBondContact O-CD2 3Å; Y16-H355 PolarHBondContact O-CE1 3.01Å; Y16-H355 PolarHBondContact O-ND1 3.45Å; Y16-H355 PolarHBondContact O-NE2 3.25Å; Y16-H355 VanDerWaalsContact O-NE2 3.07Å |
| 17 | Y | 77.9 | Confident | 80.8 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -130.4 | 23.4 | -174.4 | 44.1 | -103.7 | 0 | 0 | 0 | 112.6 | Q15 W120 V131 K132 L135 F351 | Q15-Y17 HydrophobicContact CB-CD2 4.26Å; Q15-Y17 HydrophobicContact CB-CE2 3.98Å; Q15-Y17 VanDerWaalsContact CD-CE2 3.47Å; Q15-Y17 HydrophobicContact CG-CE2 4.18Å; Y17-W120 AromaticContact CD2-CD1 3.93Å; Y17-W120 AromaticContact CD2-CE2 3.98Å; Y17-W120 HydrophobicContact CD2-CZ2 4.36Å; Y17-W120 AromaticContact CD2-NE1 3.2Å; Y17-W120 AromaticContact CE2-CD1 3.21Å; Y17-W120 HydrophobicContact CE2-CG 4.44Å; Y17-W120 AromaticContact CE2-NE1 2.86Å; Y17-W120 AromaticContact CZ-CD1 3.87Å; Y17-W120 AromaticContact CZ-NE1 3.55Å; Y17-V131 HydrophobicContact CD1-CG1 4.2Å; Y17-V131 HydrophobicContact CG-CG1 4.35Å; Y17-K132 HydrophobicContact CE1-CB 4.44Å; Y17-L135 HydrophobicContact CD1-CD1 4.26Å; Y17-L135 HydrophobicContact CG-CD1 4.44Å; Y17-F351 VanDerWaalsContact O-CE1 3.3Å; Y17-F351 WeakPolarHBondContact O-CE1 3.35Å |
| 18 | D | 82.8 | Confident | 82 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | trans | -109.1 | 153.3 | -178.2 | 59.3 | -3.5 | 0 | 0 | 0 | 111.6 | Q15 D22 R23 Y26 H355 | Q15-D18 HydrophobicContact CB-CB 4.35Å; Q15-D18 PolarHBondContact N-OD2 3.38Å; D18-D22 HydrophobicContact CB-CB 3.94Å; D18-R23 HydrophobicContact CB-CG 4.35Å; D18-R23 IonicContact OD1-CZ 3.17Å; D18-R23 IonicContact OD1-NE 2.64Å; D18-R23 PolarHBondContact OD1-NE 3.42Å; D18-R23 IonicContact OD1-NH2 2.67Å; D18-R23 PolarHBondContact OD1-NH2 2.84Å; D18-R23 WeakPolarHBondContact OD2-CG 3.38Å; D18-R23 IonicContact OD2-CZ 2.71Å; D18-R23 IonicContact OD2-NE 3.17Å; D18-R23 PolarHBondContact OD2-NE 3.43Å; D18-Y26 HydrophobicContact CB-CE1 4.16Å; D18-Y26 WeakPolarHBondContact OD2-CE1 3.4Å; D18-Y26 PolarHBondContact OD2-OH 3.18Å; D18-H355 PolarHBondContact O-CE1 2.83Å; D18-H355 IonicContact OD1-CE1 3.96Å; D18-H355 IonicContact OD1-NE2 3.8Å | ||
| 19 | D | 85.8 | Confident | 83.5 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 8% | 0.08 | 22% | 0.219 | C | C | . | . | trans | -92.6 | 175.9 | 165.9 | 70.2 | 32.5 | 0 | 0 | 0 | 111.3 | V21 D22 R23 K198 N295 W299 | D19-V21 VanDerWaalsContact C-N 3.25Å; D19-V21 PolarHBondContact O-N 3.49Å; D19-V21 WeakPolarHBondContact OD1-CA 3.49Å; D19-V21 PolarHBondContact OD1-N 3.49Å; D19-D22 PolarHBondContact N-OD2 2.99Å; D19-D22 VanDerWaalsContact N-OD2 3.08Å; D19-D22 PolarHBondContact O-N 3.01Å; D19-D22 PolarHBondContact OD1-N 2.79Å; D19-R23 WeakPolarHBondContact O-CG 3.39Å; D19-R23 PolarHBondContact O-N 2.92Å; D19-R23 VanDerWaalsContact O-N 3.12Å; D19-K198 IonicContact OD1-NZ 3.77Å; D19-K198 IonicContact OD2-NZ 2.97Å; D19-K198 PolarHBondContact OD2-NZ 3.17Å; D19-N295 PolarHBondContact OD1-ND2 2.68Å; D19-N295 PolarHBondContact OD2-ND2 2.84Å; D19-N295 PolarHBondContact OD2-OD1 2.72Å; D19-W299 PolarHBondContact OD2-NE1 3.23Å | ||
| 20 | F | 87.2 | Confident | 84.7 | Confident | 135 Ų | 135 | 46.7 Ų | 46.7 | 59% | 0.592 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.6 | -35.5 | 179.6 | 176.8 | -98.2 | 0 | 0 | 0 | 112.7 | R23 L24 Y28 | F20-R23 WeakPolarHBondContact O-CB 3.35Å; F20-R23 PolarHBondContact O-N 3.47Å; F20-L24 PolarHBondContact O-N 2.85Å; F20-Y28 HydrophobicContact CE2-CE2 4.39Å |
| 21 | V | 92.9 | Very high | 85.9 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 13% | 0.127 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.4 | -34.6 | -176.9 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | D19 R23 L24 N25 A291 T292 N295 | D19-V21 VanDerWaalsContact C-N 3.25Å; D19-V21 PolarHBondContact O-N 3.49Å; D19-V21 WeakPolarHBondContact OD1-CA 3.49Å; D19-V21 PolarHBondContact OD1-N 3.49Å; V21-R23 VanDerWaalsContact C-N 3.33Å; V21-L24 VanDerWaalsContact O-CB 3.3Å; V21-L24 WeakPolarHBondContact O-CB 3.36Å; V21-L24 PolarHBondContact O-N 3.26Å; V21-L24 VanDerWaalsContact O-N 3.17Å; V21-N25 PolarHBondContact O-N 2.84Å; V21-N25 VanDerWaalsContact O-N 3.12Å; V21-N25 PolarHBondContact O-ND2 2.71Å; V21-A291 HydrophobicContact CG1-CB 4.34Å; V21-A291 HydrophobicContact CG2-CB 4.4Å; V21-T292 HydrophobicContact CG1-CG2 3.85Å; V21-N295 HydrophobicContact CB-CB 3.96Å; V21-N295 HydrophobicContact CG1-CB 3.82Å; V21-N295 HydrophobicContact CG2-CB 3.96Å |
| 22 | D | 92.9 | Very high | 87.1 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -50 | 169.3 | -62.7 | -31.5 | 0 | 0 | 0 | 109.2 | D18 D19 L24 N25 Y26 Y194 K198 Y201 | D18-D22 HydrophobicContact CB-CB 3.94Å; D19-D22 PolarHBondContact N-OD2 2.99Å; D19-D22 VanDerWaalsContact N-OD2 3.08Å; D19-D22 PolarHBondContact O-N 3.01Å; D19-D22 PolarHBondContact OD1-N 2.79Å; D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 2.84Å; D22-N25 PolarHBondContact O-N 2.96Å; D22-Y26 HydrophobicContact CB-CD1 4.44Å; D22-Y26 HydrophobicContact CB-CE1 4.36Å; D22-Y26 WeakPolarHBondContact O-CD1 3.47Å; D22-Y26 PolarHBondContact O-N 2.72Å; D22-Y194 PolarHBondContact OD2-OH 2.88Å; D22-K198 IonicContact OD1-NZ 3.27Å; D22-K198 PolarHBondContact OD1-NZ 3.45Å; D22-K198 IonicContact OD2-NZ 3.67Å; D22-K198 PolarHBondContact OD2-NZ 3.08Å; D22-Y201 HydrophobicContact CB-CE2 4.44Å |
| 23 | R | 92.2 | Very high | 88.2 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 23% | 0.226 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.3 | -38.1 | 174.4 | -67.7 | 172.2 | -177 | 170.2 | 6.1 | 112.3 | Q15 D18 D19 F20 V21 N25 Y26 Y27 Y28 H355 | Q15-R23 PolarHBondContact O-NH2 2.82Å; D18-R23 HydrophobicContact CB-CG 4.35Å; D18-R23 IonicContact OD1-CZ 3.17Å; D18-R23 IonicContact OD1-NE 2.64Å; D18-R23 PolarHBondContact OD1-NE 3.42Å; D18-R23 IonicContact OD1-NH2 2.67Å; D18-R23 PolarHBondContact OD1-NH2 2.84Å; D18-R23 WeakPolarHBondContact OD2-CG 3.38Å; D18-R23 IonicContact OD2-CZ 2.71Å; D18-R23 IonicContact OD2-NE 3.17Å; D18-R23 PolarHBondContact OD2-NE 3.43Å; D19-R23 WeakPolarHBondContact O-CG 3.39Å; D19-R23 PolarHBondContact O-N 2.92Å; D19-R23 VanDerWaalsContact O-N 3.12Å; F20-R23 WeakPolarHBondContact O-CB 3.35Å; F20-R23 PolarHBondContact O-N 3.47Å; V21-R23 VanDerWaalsContact C-N 3.33Å; R23-N25 PolarHBondContact O-N 3.11Å; R23-Y26 HydrophobicContact CG-CE1 4.23Å; R23-Y27 WeakPolarHBondContact O-CA 3.45Å; R23-Y27 VanDerWaalsContact O-CB 3.27Å; R23-Y27 WeakPolarHBondContact O-CB 3.39Å; R23-Y27 PolarHBondContact O-N 3.31Å; R23-Y27 VanDerWaalsContact O-N 3.11Å; R23-Y28 HydrophobicContact CB-CD2 4.23Å; R23-Y28 HydrophobicContact CB-CE2 4.03Å; R23-Y28 WeakPolarHBondContact O-CD2 3.36Å; R23-Y28 PolarHBondContact O-N 3.46Å; R23-H355 PolarHBondContact NH2-NE2 3.12Å |
| 24 | L | 94 | Very high | 88.9 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -57.9 | -39.2 | 175.7 | -173 | 65.1 | 0 | 0 | 0 | 111.6 | F20 V21 D22 T29 W284 L287 V288 A291 | F20-L24 PolarHBondContact O-N 2.85Å; V21-L24 VanDerWaalsContact O-CB 3.3Å; V21-L24 WeakPolarHBondContact O-CB 3.36Å; V21-L24 PolarHBondContact O-N 3.26Å; V21-L24 VanDerWaalsContact O-N 3.17Å; D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 2.84Å; L24-T29 VanDerWaalsContact O-CB 3.31Å; L24-T29 WeakPolarHBondContact O-CB 3.28Å; L24-T29 PolarHBondContact O-N 2.83Å; L24-T29 PolarHBondContact O-OG1 2.74Å; L24-W284 HydrophobicContact CD1-CH2 4.05Å; L24-W284 HydrophobicContact CD1-CZ2 3.78Å; L24-L287 HydrophobicContact CD2-CD2 4.15Å; L24-V288 HydrophobicContact CD1-CG2 4.32Å; L24-V288 HydrophobicContact CD2-CB 4.4Å; L24-V288 HydrophobicContact CD2-CG1 4.43Å; L24-V288 HydrophobicContact CD2-CG2 4Å; L24-V288 HydrophobicContact CG-CG1 4.42Å; L24-V288 HydrophobicContact CG-CG2 3.92Å; L24-A291 HydrophobicContact CD2-CB 4Å |
| 25 | N | 95.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -77.4 | -69.9 | 178.5 | -73.9 | -93.7 | 0 | 0 | 0 | 112.2 | V21 D22 R23 Y27 T29 F113 Y201 T292 | V21-N25 PolarHBondContact O-N 2.84Å; V21-N25 VanDerWaalsContact O-N 3.12Å; V21-N25 PolarHBondContact O-ND2 2.71Å; D22-N25 PolarHBondContact O-N 2.96Å; R23-N25 PolarHBondContact O-N 3.11Å; N25-Y27 PolarHBondContact O-N 2.77Å; N25-T29 WeakPolarHBondContact O-CB 3.37Å; N25-F113 HydrophobicContact CB-CD1 4.12Å; N25-Y201 HydrophobicContact CB-CD1 3.5Å; N25-Y201 VanDerWaalsContact CB-CD1 3.5Å; N25-Y201 HydrophobicContact CB-CE1 3.67Å; N25-Y201 HydrophobicContact CB-CG 4.07Å; N25-T292 WeakPolarHBondContact ND2-CG2 3.47Å; N25-T292 WeakPolarHBondContact OD1-CG2 3.44Å |
| 26 | Y | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -77.8 | -22.8 | -166.1 | 81.7 | -97.1 | 0 | 0 | 0 | 113.7 | K14 Q15 D18 D22 R23 T30 F113 Y114 N117 | K14-Y26 WeakPolarHBondContact CA-OH 3.5Å; Q15-Y26 PolarHBondContact N-OH 3.44Å; D18-Y26 HydrophobicContact CB-CE1 4.16Å; D18-Y26 WeakPolarHBondContact OD2-CE1 3.4Å; D18-Y26 PolarHBondContact OD2-OH 3.18Å; D22-Y26 HydrophobicContact CB-CD1 4.44Å; D22-Y26 HydrophobicContact CB-CE1 4.36Å; D22-Y26 WeakPolarHBondContact O-CD1 3.47Å; D22-Y26 PolarHBondContact O-N 2.72Å; R23-Y26 HydrophobicContact CG-CE1 4.23Å; Y26-T30 VanDerWaalsContact C-OG1 3.26Å; Y26-T30 VanDerWaalsContact O-CB 3.22Å; Y26-T30 WeakPolarHBondContact O-CB 3.41Å; Y26-T30 PolarHBondContact O-OG1 3.14Å; Y26-F113 WeakPolarHBondContact CA-O 3.28Å; Y26-Y114 HydrophobicContact CD2-CD2 4.39Å; Y26-N117 HydrophobicContact CD1-CB 4.43Å; Y26-N117 HydrophobicContact CD2-CB 4.29Å; Y26-N117 VanDerWaalsContact CD2-ND2 3.26Å; Y26-N117 WeakPolarHBondContact CD2-ND2 3.5Å; Y26-N117 HydrophobicContact CG-CB 3.9Å |
| 27 | Y | 91.9 | Very high | 91.2 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 20% | 0.2 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -104.2 | -67.1 | -175.9 | -177.2 | -96 | 0 | 0 | 0 | 111.1 | I12 K14 R23 N25 L31 | I12-Y27 HydrophobicContact CG2-CD2 3.48Å; I12-Y27 VanDerWaalsContact CG2-CD2 3.48Å; I12-Y27 HydrophobicContact CG2-CE2 3.9Å; I12-Y27 HydrophobicContact CG2-CG 4.41Å; I12-Y27 WeakPolarHBondContact O-CE2 3.35Å; K14-Y27 HydrophobicContact CD-CE1 4.46Å; K14-Y27 VanDerWaalsContact CE-CE1 3.41Å; K14-Y27 HydrophobicContact CG-CD1 4.29Å; K14-Y27 HydrophobicContact CG-CD2 4.16Å; K14-Y27 HydrophobicContact CG-CE1 4.19Å; K14-Y27 HydrophobicContact CG-CE2 4.08Å; K14-Y27 HydrophobicContact CG-CG 4.29Å; R23-Y27 WeakPolarHBondContact O-CA 3.45Å; R23-Y27 VanDerWaalsContact O-CB 3.27Å; R23-Y27 WeakPolarHBondContact O-CB 3.39Å; R23-Y27 PolarHBondContact O-N 3.31Å; R23-Y27 VanDerWaalsContact O-N 3.11Å; N25-Y27 PolarHBondContact O-N 2.77Å; Y27-L31 HydrophobicContact CD1-CD1 4.08Å; Y27-L31 HydrophobicContact CD2-CD1 4.25Å; Y27-L31 HydrophobicContact CE1-CD1 3.68Å; Y27-L31 HydrophobicContact CE2-CD1 3.86Å; Y27-L31 HydrophobicContact CG-CD1 4.34Å; Y27-L31 WeakPolarHBondContact O-CB 3.43Å; Y27-L31 VanDerWaalsContact O-CG 3.23Å; Y27-L31 WeakPolarHBondContact O-CG 3.03Å; Y27-L31 PolarHBondContact O-N 2.92Å |
| 28 | Y | 92.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 36 Ų | 36 | 30% | 0.298 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -67.8 | -49.7 | -173.2 | -65.7 | -64.1 | 0 | 0 | 0 | 112.6 | K14 F20 R23 T30 L31 I32 | K14-Y28 PolarHBondContact NZ-OH 2.89Å; F20-Y28 HydrophobicContact CE2-CE2 4.39Å; R23-Y28 HydrophobicContact CB-CD2 4.23Å; R23-Y28 HydrophobicContact CB-CE2 4.03Å; R23-Y28 WeakPolarHBondContact O-CD2 3.36Å; R23-Y28 PolarHBondContact O-N 3.46Å; Y28-T30 PolarHBondContact O-N 2.88Å; Y28-L31 PolarHBondContact O-N 3.36Å; Y28-I32 WeakPolarHBondContact O-CB 3.47Å; Y28-I32 VanDerWaalsContact O-CG1 3.29Å; Y28-I32 WeakPolarHBondContact O-CG1 3.32Å; Y28-I32 PolarHBondContact O-N 2.96Å |
| 29 | T | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -64.4 | -41.9 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | L24 N25 L31 I32 L33 F113 W284 M285 | L24-T29 VanDerWaalsContact O-CB 3.31Å; L24-T29 WeakPolarHBondContact O-CB 3.28Å; L24-T29 PolarHBondContact O-N 2.83Å; L24-T29 PolarHBondContact O-OG1 2.74Å; N25-T29 WeakPolarHBondContact O-CB 3.37Å; T29-L31 PolarHBondContact O-N 3.12Å; T29-I32 PolarHBondContact O-N 3.31Å; T29-L33 HydrophobicContact CG2-CD1 3.86Å; T29-L33 HydrophobicContact CG2-CG 4.34Å; T29-L33 WeakPolarHBondContact O-CB 3.33Å; T29-L33 VanDerWaalsContact O-CG 3.3Å; T29-L33 WeakPolarHBondContact O-CG 3.41Å; T29-L33 PolarHBondContact O-N 2.88Å; T29-F113 HydrophobicContact CG2-CD1 3.98Å; T29-F113 HydrophobicContact CG2-CD2 3.69Å; T29-F113 HydrophobicContact CG2-CE1 3.92Å; T29-F113 HydrophobicContact CG2-CE2 3.59Å; T29-F113 HydrophobicContact CG2-CG 3.89Å; T29-F113 HydrophobicContact CG2-CZ 3.74Å; T29-W284 PolarHBondContact OG1-NE1 3.32Å; T29-M285 HydrophobicContact CG2-CE 3.99Å; T29-M285 HydrophobicContact CG2-SD 4.5Å |
| 30 | T | 94.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 173 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | I12 Y26 Y28 L33 L34 A110 | I12-T30 HydrophobicContact CD1-CG2 4.04Å; Y26-T30 VanDerWaalsContact C-OG1 3.26Å; Y26-T30 VanDerWaalsContact O-CB 3.22Å; Y26-T30 WeakPolarHBondContact O-CB 3.41Å; Y26-T30 PolarHBondContact O-OG1 3.14Å; Y28-T30 PolarHBondContact O-N 2.88Å; T30-L33 PolarHBondContact O-N 3.33Å; T30-L34 HydrophobicContact CG2-CD1 4.1Å; T30-L34 WeakPolarHBondContact O-CB 3.43Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.29Å; T30-L34 PolarHBondContact O-N 2.8Å; T30-A110 HydrophobicContact CG2-CB 4.21Å |
| 31 | L | 91.1 | Very high | 92 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 27% | 0.272 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 179.5 | -73.5 | 174.9 | 0 | 0 | 0 | 112.4 | L9 I12 Y27 Y28 T29 L34 F35 | L9-L31 HydrophobicContact CD2-CD2 3.88Å; I12-L31 HydrophobicContact CG2-CD2 4.38Å; I12-L31 HydrophobicContact CG2-CG 4.39Å; Y27-L31 HydrophobicContact CD1-CD1 4.08Å; Y27-L31 HydrophobicContact CD2-CD1 4.25Å; Y27-L31 HydrophobicContact CE1-CD1 3.68Å; Y27-L31 HydrophobicContact CE2-CD1 3.86Å; Y27-L31 HydrophobicContact CG-CD1 4.34Å; Y27-L31 WeakPolarHBondContact O-CB 3.43Å; Y27-L31 VanDerWaalsContact O-CG 3.23Å; Y27-L31 WeakPolarHBondContact O-CG 3.03Å; Y27-L31 PolarHBondContact O-N 2.92Å; Y28-L31 PolarHBondContact O-N 3.36Å; T29-L31 PolarHBondContact O-N 3.12Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-F35 WeakPolarHBondContact O-CB 2.93Å; L31-F35 PolarHBondContact O-N 3.45Å |
| 32 | I | 92.8 | Very high | 91.6 | Very high | 42 Ų | 42 | 34.2 Ų | 34.2 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.8 | -72.3 | 166.2 | 0 | 0 | 0 | 110.5 | Y28 T29 F35 L36 F280 W284 | Y28-I32 WeakPolarHBondContact O-CB 3.47Å; Y28-I32 VanDerWaalsContact O-CG1 3.29Å; Y28-I32 WeakPolarHBondContact O-CG1 3.32Å; Y28-I32 PolarHBondContact O-N 2.96Å; T29-I32 PolarHBondContact O-N 3.31Å; I32-F35 PolarHBondContact O-N 3.46Å; I32-L36 HydrophobicContact CG2-CD1 3.89Å; I32-L36 VanDerWaalsContact O-CG 3.27Å; I32-L36 WeakPolarHBondContact O-CG 3.43Å; I32-L36 PolarHBondContact O-N 2.04Å; I32-F280 HydrophobicContact CG2-CE1 3.69Å; I32-F280 HydrophobicContact CG2-CZ 4.17Å; I32-W284 HydrophobicContact CD1-CD2 4.26Å; I32-W284 HydrophobicContact CD1-CE3 4.47Å; I32-W284 HydrophobicContact CD1-CH2 3.58Å; I32-W284 HydrophobicContact CD1-CZ2 3.3Å; I32-W284 HydrophobicContact CD1-CZ3 4.16Å |
| 33 | L | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 179 | -72.1 | 168 | 0 | 0 | 0 | 112.2 | T29 T30 L36 A37 L106 Q109 A110 F113 L281 M285 | T29-L33 HydrophobicContact CG2-CD1 3.86Å; T29-L33 HydrophobicContact CG2-CG 4.34Å; T29-L33 WeakPolarHBondContact O-CB 3.33Å; T29-L33 VanDerWaalsContact O-CG 3.3Å; T29-L33 WeakPolarHBondContact O-CG 3.41Å; T29-L33 PolarHBondContact O-N 2.88Å; T30-L33 PolarHBondContact O-N 3.33Å; L33-L36 PolarHBondContact O-N 3.09Å; L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 3.34Å; L33-L106 HydrophobicContact CD2-CD2 3.97Å; L33-Q109 HydrophobicContact CD1-CB 3.9Å; L33-Q109 HydrophobicContact CD2-CB 4.31Å; L33-A110 HydrophobicContact CB-CB 3.75Å; L33-A110 HydrophobicContact CD1-CB 4.38Å; L33-F113 HydrophobicContact CD1-CD2 3.59Å; L33-F113 HydrophobicContact CD1-CE2 3.98Å; L33-L281 HydrophobicContact CD2-CD1 4.19Å; L33-L281 HydrophobicContact CD2-CD2 3.64Å; L33-M285 HydrophobicContact CD1-CE 4.22Å; L33-M285 HydrophobicContact CD2-CE 4.25Å |
| 34 | L | 92.2 | Very high | 90.8 | Very high | 38 Ų | 38 | 32.8 Ų | 32.8 | 20% | 0.199 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 175.4 | -73.4 | 174.7 | 0 | 0 | 0 | 112 | L9 I12 T30 L31 A37 I38 A110 | L9-L34 HydrophobicContact CD2-CD1 4.32Å; I12-L34 HydrophobicContact CD1-CD1 4Å; T30-L34 HydrophobicContact CG2-CD1 4.1Å; T30-L34 WeakPolarHBondContact O-CB 3.43Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.29Å; T30-L34 PolarHBondContact O-N 2.8Å; L31-L34 PolarHBondContact O-N 3.29Å; L34-A37 PolarHBondContact O-N 3.46Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.2Å; L34-I38 PolarHBondContact O-N 3.4Å; L34-A110 HydrophobicContact CD2-CB 3.94Å; L34-A110 HydrophobicContact CG-CB 3.9Å |
| 35 | F | 89.9 | Confident | 90.2 | Very high | 131 Ų | 131 | 39.6 Ų | 39.6 | 58% | 0.575 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -60.5 | -46.9 | 175.9 | 171.3 | -100.8 | 0 | 0 | 0 | 111.5 | L31 I32 A37 I38 L39 | L31-F35 WeakPolarHBondContact O-CB 2.93Å; L31-F35 PolarHBondContact O-N 3.45Å; I32-F35 PolarHBondContact O-N 3.46Å; F35-A37 PolarHBondContact O-N 2.83Å; F35-I38 PolarHBondContact O-N 2.78Å; F35-L39 HydrophobicContact CE1-CD1 4.04Å; F35-L39 HydrophobicContact CZ-CD1 4.04Å; F35-L39 WeakPolarHBondContact O-CB 3.36Å; F35-L39 PolarHBondContact O-N 3.37Å |
| 36 | L | 91.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.3 | -67.7 | 169.8 | 0 | 0 | 0 | 111.9 | I32 L33 I38 L39 V40 L106 I277 F280 L281 | I32-L36 HydrophobicContact CG2-CD1 3.89Å; I32-L36 VanDerWaalsContact O-CG 3.27Å; I32-L36 WeakPolarHBondContact O-CG 3.43Å; I32-L36 PolarHBondContact O-N 2.04Å; L33-L36 PolarHBondContact O-N 3.09Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 2.62Å; L36-L39 PolarHBondContact O-N 3.21Å; L36-V40 WeakPolarHBondContact O-CG2 3.28Å; L36-V40 PolarHBondContact O-N 2.7Å; L36-L106 HydrophobicContact CB-CD1 4.09Å; L36-I277 HydrophobicContact CD1-CG2 4.16Å; L36-I277 HydrophobicContact CD2-CD1 4.43Å; L36-I277 HydrophobicContact CD2-CG1 4.15Å; L36-I277 HydrophobicContact CD2-CG2 4.38Å; L36-F280 HydrophobicContact CD1-CD1 4.21Å; L36-F280 HydrophobicContact CD1-CE1 4.2Å; L36-L281 HydrophobicContact CD1-CD1 4.45Å; L36-L281 HydrophobicContact CD1-CD2 3.82Å; L36-L281 HydrophobicContact CD1-CG 4.21Å |
| 37 | A | 92.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L33 L34 F35 S41 L106 | L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 3.34Å; L34-A37 PolarHBondContact O-N 3.46Å; F35-A37 PolarHBondContact O-N 2.83Å; A37-S41 VanDerWaalsContact O-CB 3.26Å; A37-S41 WeakPolarHBondContact O-CB 3.31Å; A37-S41 PolarHBondContact O-N 2.72Å; A37-S41 PolarHBondContact O-OG 3.17Å; A37-L106 HydrophobicContact CB-CB 3.78Å |
| 38 | I | 88.4 | Confident | 88.3 | Confident | 80 Ų | 80 | 49 Ų | 49 | 41% | 0.41 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 176.6 | -67.4 | 165.7 | 0 | 0 | 0 | 110.8 | L5 L34 F35 L36 S41 A42 | L5-I38 HydrophobicContact CD2-CD1 4.17Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.2Å; L34-I38 PolarHBondContact O-N 3.4Å; F35-I38 PolarHBondContact O-N 2.78Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 2.62Å; I38-S41 WeakPolarHBondContact O-CB 3.36Å; I38-S41 PolarHBondContact O-N 3.17Å; I38-A42 PolarHBondContact O-N 2.91Å |
| 39 | L | 85.2 | Confident | 88.1 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 179.7 | -175.6 | 153.1 | 0 | 0 | 0 | 111.7 | F35 L36 A42 I277 | F35-L39 HydrophobicContact CE1-CD1 4.04Å; F35-L39 HydrophobicContact CZ-CD1 4.04Å; F35-L39 WeakPolarHBondContact O-CB 3.36Å; F35-L39 PolarHBondContact O-N 3.37Å; L36-L39 PolarHBondContact O-N 3.21Å; L39-A42 PolarHBondContact O-N 2.97Å; L39-I277 HydrophobicContact CD2-CD1 4.41Å |
| 40 | V | 88.6 | Confident | 87.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -40.1 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | L36 A42 K43 Q44 V102 P103 L106 I270 I277 | L36-V40 WeakPolarHBondContact O-CG2 3.28Å; L36-V40 PolarHBondContact O-N 2.7Å; V40-A42 VanDerWaalsContact C-N 3.28Å; V40-A42 PolarHBondContact O-N 3.02Å; V40-K43 PolarHBondContact O-N 3.48Å; V40-Q44 WeakPolarHBondContact O-CB 3.43Å; V40-Q44 PolarHBondContact O-N 2.85Å; V40-V102 HydrophobicContact CG1-CB 4.43Å; V40-V102 HydrophobicContact CG1-CG1 4.15Å; V40-V102 HydrophobicContact CG2-CG1 4.41Å; V40-P103 HydrophobicContact CB-CG 4.21Å; V40-P103 HydrophobicContact CG1-CG 3.8Å; V40-L106 HydrophobicContact CG2-CD1 4.35Å; V40-I270 HydrophobicContact CG1-CD1 3.87Å; V40-I270 HydrophobicContact CG1-CG1 4.18Å; V40-I277 HydrophobicContact CG2-CD1 3.23Å |
| 41 | S | 88.9 | Confident | 87.8 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -38.5 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | A37 I38 K43 Q44 Y45 P103 | A37-S41 VanDerWaalsContact O-CB 3.26Å; A37-S41 WeakPolarHBondContact O-CB 3.31Å; A37-S41 PolarHBondContact O-N 2.72Å; A37-S41 PolarHBondContact O-OG 3.17Å; I38-S41 WeakPolarHBondContact O-CB 3.36Å; I38-S41 PolarHBondContact O-N 3.17Å; S41-K43 PolarHBondContact O-N 3.14Å; S41-Q44 PolarHBondContact O-N 3Å; S41-Y45 WeakPolarHBondContact O-CD2 3.08Å; S41-Y45 PolarHBondContact O-N 3.31Å; S41-P103 WeakPolarHBondContact OG-CB 3.34Å |
| 42 | A | 84.8 | Confident | 88 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -60.7 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I38 L39 V40 V46 G47 | I38-A42 PolarHBondContact O-N 2.91Å; L39-A42 PolarHBondContact O-N 2.97Å; V40-A42 VanDerWaalsContact C-N 3.28Å; V40-A42 PolarHBondContact O-N 3.02Å; A42-V46 VanDerWaalsContact O-CB 3.27Å; A42-V46 WeakPolarHBondContact O-CB 3.41Å; A42-V46 PolarHBondContact O-N 3.04Å; A42-V46 VanDerWaalsContact O-N 3.13Å; A42-G47 PolarHBondContact O-N 3.01Å; A42-G47 VanDerWaalsContact O-N 3.17Å |
| 43 | K | 82.9 | Confident | 88 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -71.6 | -33.4 | 176.8 | -174.7 | 58.8 | 177.6 | 173.1 | 0 | 112.6 | V40 S41 G47 Q48 M269 F273 | V40-K43 PolarHBondContact O-N 3.48Å; S41-K43 PolarHBondContact O-N 3.14Å; K43-G47 CarbonylContact O-C 3.52Å; K43-G47 WeakPolarHBondContact O-CA 3.22Å; K43-Q48 WeakPolarHBondContact CE-O 3.1Å; K43-Q48 PolarHBondContact NZ-O 3.31Å; K43-M269 PolarHBondContact NZ-SD 3.34Å; K43-F273 HydrophobicContact CG-CD2 4.46Å; K43-F273 HydrophobicContact CG-CE2 4.21Å |
| 44 | Q | 85.6 | Confident | 87.9 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -76 | -40 | -176.1 | -173.9 | 168.2 | -17.1 | 0 | 0 | 114 | V40 S41 F71 Q100 I270 | V40-Q44 WeakPolarHBondContact O-CB 3.43Å; V40-Q44 PolarHBondContact O-N 2.85Å; S41-Q44 PolarHBondContact O-N 3Å; Q44-F71 HydrophobicContact CG-CE1 4.45Å; Q44-F71 HydrophobicContact CG-CZ 3.93Å; Q44-Q100 PolarHBondContact NE2-O 3.17Å; Q44-I270 HydrophobicContact CB-CD1 3.8Å; Q44-I270 HydrophobicContact CG-CD1 4.04Å |
| 45 | Y | 81.7 | Confident | 87.8 | Confident | 153 Ų | 153 | 43.1 Ų | 43.1 | 60% | 0.6 | 23% | 0.231 | S | C | * | . | I | π-helix | trans | -107.2 | -27.6 | -173.1 | -63.3 | -68.4 | 0 | 0 | 0 | 114.2 | S41 | S41-Y45 WeakPolarHBondContact O-CD2 3.08Å; S41-Y45 PolarHBondContact O-N 3.31Å |
| 46 | V | 76.9 | Confident | 87.7 | Confident | 130 Ų | 130 | 39.4 Ų | 39.4 | 79% | 0.788 | 23% | 0.225 | S | C | * | . | I | π-helix | trans | -100.2 | -36.5 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | A42 | A42-V46 VanDerWaalsContact O-CB 3.27Å; A42-V46 WeakPolarHBondContact O-CB 3.41Å; A42-V46 PolarHBondContact O-N 3.04Å; A42-V46 VanDerWaalsContact O-N 3.13Å |
| 47 | G | 80.4 | Confident | 87.6 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -87.7 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A42 K43 P49 | A42-G47 PolarHBondContact O-N 3.01Å; A42-G47 VanDerWaalsContact O-N 3.17Å; K43-G47 CarbonylContact O-C 3.52Å; K43-G47 WeakPolarHBondContact O-CA 3.22Å; G47-P49 WeakPolarHBondContact O-CD 3.32Å |
| 48 | Q | 82.8 | Confident | 87.4 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 43% | 0.425 | 25% | 0.248 | S | C | . | . | trans | -86.1 | 113 | 166.3 | -65.2 | 169.7 | -27.9 | 0 | 0 | 109.4 | K43 E508 | K43-Q48 WeakPolarHBondContact CE-O 3.1Å; K43-Q48 PolarHBondContact NZ-O 3.31Å; Q48-E508 PolarHBondContact NE2-OE2 2.96Å; Q48-E508 PolarHBondContact OE1-OE2 2.86Å | ||
| 49 | P | 87.5 | Confident | 87.3 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -82.5 | -23.5 | -178.3 | 31.3 | -34.8 | 0 | 0 | 0 | 113.7 | G47 F71 M269 | G47-P49 WeakPolarHBondContact O-CD 3.32Å; P49-F71 HydrophobicContact CB-CD2 4.21Å; P49-F71 HydrophobicContact CB-CE2 3.74Å; P49-F71 HydrophobicContact CB-CZ 4.23Å; P49-F71 HydrophobicContact CG-CD2 3.82Å; P49-F71 HydrophobicContact CG-CE1 4.43Å; P49-F71 HydrophobicContact CG-CE2 3.69Å; P49-F71 HydrophobicContact CG-CG 4.27Å; P49-F71 HydrophobicContact CG-CZ 4.02Å; P49-M269 PolarHBondContact O-N 3.23Å | ||
| 50 | I | 92 | Very high | 87.5 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.3 | -175.6 | -163.5 | 171.1 | 0 | 0 | 0 | 109.7 | E67 C70 F71 T75 C266 V267 L268 | I50-E67 HydrophobicContact CG2-CB 4.37Å; I50-C70 HydrophobicContact CD1-CB 4.3Å; I50-F71 HydrophobicContact CB-CD2 4.3Å; I50-F71 HydrophobicContact CG2-CB 3.84Å; I50-F71 HydrophobicContact CG2-CD2 4.11Å; I50-F71 HydrophobicContact CG2-CG 4.33Å; I50-T75 HydrophobicContact CD1-CG2 4.11Å; I50-C266 HydrophobicContact CD1-CB 3.7Å; I50-C266 HydrophobicContact CG1-CB 3.78Å; I50-V267 WeakPolarHBondContact CA-O 3.25Å; I50-L268 HydrophobicContact CB-CD1 4.35Å; I50-L268 HydrophobicContact CD1-CD1 4.34Å; I50-L268 HydrophobicContact CG1-CD1 4.34Å |
| 51 | Q | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 137.3 | 170.8 | -70.8 | 83.5 | -2.9 | 0 | 0 | 108.7 | E67 C266 V267 E508 N512 | Q51-E67 VanDerWaalsContact CA-OE1 3.32Å; Q51-E67 WeakPolarHBondContact CA-OE1 3.27Å; Q51-C266 CarbonylContact O-C 3.58Å; Q51-C266 VanDerWaalsContact O-CA 3.29Å; Q51-C266 WeakPolarHBondContact O-CA 3.47Å; Q51-V267 PolarHBondContact N-O 3.02Å; Q51-V267 PolarHBondContact O-N 3.27Å; Q51-E508 HydrophobicContact CG-CB 4.41Å; Q51-N512 WeakPolarHBondContact CG-ND2 3.34Å; Q51-N512 PolarHBondContact NE2-ND2 3Å; Q51-N512 VanDerWaalsContact NE2-ND2 3.14Å; Q51-N512 PolarHBondContact OE1-ND2 2.84Å |
| 52 | C | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.5 | -170.8 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | V54 E67 V264 Q265 C266 | C52-V54 VanDerWaalsContact C-N 3.34Å; C52-V54 HydrophobicContact CB-CG1 4.14Å; C52-V54 PolarHBondContact O-N 3.37Å; C52-E67 HydrophobicContact CB-CG 3.95Å; C52-E67 PolarHBondContact N-OE1 3.19Å; C52-V264 HydrophobicContact CB-CG2 4.26Å; C52-Q265 CarbonylContact C-O 3.59Å; C52-Q265 WeakPolarHBondContact CA-O 3.41Å; C52-C266 HydrophobicContact CB-CB 4.11Å; C52-C266 WeakPolarHBondContact CB-SG 3.42Å; C52-C266 WeakPolarHBondContact SG-CB 3.34Å; C52-C266 CovalentContact SG-SG 2.04Å; C52-C266 PolarHBondContact SG-SG 3.32Å |
| 53 | W | 93.9 | Very high | 88.1 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 12% | 0.117 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 84.9 | 167.9 | -167.3 | -83.7 | 0 | 0 | 0 | 110.1 | V264 Q265 F502 W506 Y509 F691 V693 | W53-V264 WeakPolarHBondContact O-CB 3.18Å; W53-Q265 PolarHBondContact N-O 3.41Å; W53-F502 AromaticContact CH2-CD1 3.88Å; W53-F502 HydrophobicContact CH2-CD1 3.88Å; W53-F502 AromaticContact CH2-CD2 3.71Å; W53-F502 HydrophobicContact CH2-CD2 3.71Å; W53-F502 AromaticContact CH2-CE1 3.75Å; W53-F502 HydrophobicContact CH2-CE1 3.75Å; W53-F502 AromaticContact CH2-CE2 3.65Å; W53-F502 HydrophobicContact CH2-CE2 3.65Å; W53-F502 AromaticContact CH2-CG 3.85Å; W53-F502 HydrophobicContact CH2-CG 3.85Å; W53-F502 AromaticContact CH2-CZ 3.64Å; W53-F502 HydrophobicContact CH2-CZ 3.64Å; W53-F502 HydrophobicContact CZ2-CD1 4.28Å; W53-F502 AromaticContact CZ2-CE1 3.91Å; W53-F502 HydrophobicContact CZ2-CE1 3.91Å; W53-F502 HydrophobicContact CZ2-CE2 4.48Å; W53-F502 HydrophobicContact CZ2-CZ 4.04Å; W53-F502 HydrophobicContact CZ3-CD2 4.37Å; W53-W506 AromaticContact CD2-CD1 3.87Å; W53-W506 HydrophobicContact CD2-CD2 4.19Å; W53-W506 HydrophobicContact CD2-CG 4.05Å; W53-W506 AromaticContact CD2-NE1 3.9Å; W53-W506 AromaticContact CE2-CD2 3.69Å; W53-W506 AromaticContact CE2-CE2 3.56Å; W53-W506 AromaticContact CE2-CZ2 3.9Å; W53-W506 AromaticContact CE2-NE1 3.83Å; W53-W506 HydrophobicContact CE3-CB 4.04Å; W53-W506 AromaticContact CE3-CD1 3.93Å; W53-W506 HydrophobicContact CE3-CD2 4.35Å; W53-W506 AromaticContact CE3-CG 3.86Å; W53-W506 HydrophobicContact CE3-CG 3.86Å; W53-W506 HydrophobicContact CH2-CB 3.88Å; W53-W506 AromaticContact CH2-CD2 3.66Å; W53-W506 HydrophobicContact CH2-CD2 3.66Å; W53-W506 AromaticContact CH2-CE3 3.64Å; W53-W506 HydrophobicContact CH2-CE3 3.64Å; W53-W506 AromaticContact CH2-CG 3.79Å; W53-W506 HydrophobicContact CH2-CG 3.79Å; W53-W506 HydrophobicContact CH2-CZ3 4.36Å; W53-W506 AromaticContact CZ2-CD2 3.42Å; W53-W506 HydrophobicContact CZ2-CD2 3.42Å; W53-W506 VanDerWaalsContact CZ2-CD2 3.42Å; W53-W506 AromaticContact CZ2-CE2 3.74Å; W53-W506 AromaticContact CZ2-CE3 3.41Å; W53-W506 HydrophobicContact CZ2-CE3 3.41Å; W53-W506 VanDerWaalsContact CZ2-CE3 3.41Å; W53-W506 AromaticContact CZ2-CG 3.94Å; W53-W506 HydrophobicContact CZ2-CG 3.94Å; W53-W506 HydrophobicContact CZ2-CH2 4.04Å; W53-W506 HydrophobicContact CZ2-CZ2 4.04Å; W53-W506 AromaticContact CZ2-CZ3 3.75Å; W53-W506 HydrophobicContact CZ2-CZ3 3.75Å; W53-W506 HydrophobicContact CZ3-CB 3.61Å; W53-W506 HydrophobicContact CZ3-CD2 4.12Å; W53-W506 HydrophobicContact CZ3-CE3 4.49Å; W53-W506 AromaticContact CZ3-CG 3.74Å; W53-W506 HydrophobicContact CZ3-CG 3.74Å; W53-W506 AromaticContact NE1-CE2 3.65Å; W53-W506 AromaticContact NE1-CZ2 3.64Å; W53-W506 AromaticContact NE1-NE1 3.89Å; W53-Y509 HydrophobicContact CB-CD1 4.42Å; W53-Y509 HydrophobicContact CB-CD2 4.04Å; W53-Y509 HydrophobicContact CB-CE2 4.13Å; W53-Y509 HydrophobicContact CB-CG 4.21Å; W53-Y509 HydrophobicContact CD2-CD1 4.4Å; W53-Y509 AromaticContact CE3-CD1 3.44Å; W53-Y509 HydrophobicContact CE3-CD1 3.44Å; W53-Y509 VanDerWaalsContact CE3-CD1 3.44Å; W53-Y509 HydrophobicContact CE3-CE1 4.12Å; W53-Y509 AromaticContact CE3-CG 3.87Å; W53-Y509 HydrophobicContact CE3-CG 3.87Å; W53-Y509 HydrophobicContact CZ3-CD1 4.09Å; W53-F691 HydrophobicContact CH2-CE2 4.49Å; W53-F691 HydrophobicContact CZ3-CE2 4.11Å; W53-V693 HydrophobicContact CD2-CG1 3.9Å; W53-V693 HydrophobicContact CD2-CG2 4.02Å; W53-V693 HydrophobicContact CE3-CG2 4.07Å; W53-V693 HydrophobicContact CG-CG1 3.81Å; W53-V693 HydrophobicContact CH2-CG2 4.28Å; W53-V693 HydrophobicContact CZ2-CG1 4.41Å; W53-V693 HydrophobicContact CZ2-CG2 4.26Å; W53-V693 HydrophobicContact CZ3-CG2 4.19Å |
| 54 | V | 93.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | trans | -83.6 | 164.9 | 179.4 | -63.7 | 0 | 0 | 0 | 0 | 112 | C52 F58 E63 A66 V264 W506 | C52-V54 VanDerWaalsContact C-N 3.34Å; C52-V54 HydrophobicContact CB-CG1 4.14Å; C52-V54 PolarHBondContact O-N 3.37Å; V54-F58 HydrophobicContact CB-CB 4.24Å; V54-F58 HydrophobicContact CB-CD2 4.24Å; V54-F58 HydrophobicContact CG2-CB 3.98Å; V54-E63 HydrophobicContact CG2-CB 4.31Å; V54-E63 HydrophobicContact CG2-CG 4.06Å; V54-A66 HydrophobicContact CG1-CB 3.71Å; V54-V264 HydrophobicContact CG1-CG1 4.36Å; V54-W506 VanDerWaalsContact O-CE2 3.22Å; V54-W506 WeakPolarHBondContact O-CZ2 3.35Å; V54-W506 PolarHBondContact O-NE1 3.01Å | ||
| 55 | P | 90.7 | Very high | 88.8 | Confident | 31 Ų | 31 | 66 Ų | 66 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | trans | -59.1 | 143.2 | 171 | -24.8 | 35.7 | 0 | 0 | 0 | 112.5 | Q57 F58 | P55-Q57 HydrophobicContact CB-CG 4.12Å; P55-Q57 VanDerWaalsContact CB-OE1 3.24Å; P55-Q57 PolarHBondContact O-N 3.25Å; P55-F58 HydrophobicContact CG-CE2 4.39Å; P55-F58 WeakPolarHBondContact O-CB 3.4Å; P55-F58 PolarHBondContact O-N 3.29Å | ||
| 56 | A | 87.4 | Confident | 89.4 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F58 W506 | A56-F58 VanDerWaalsContact C-N 3.27Å; A56-W506 HydrophobicContact CB-CH2 3.62Å; A56-W506 HydrophobicContact CB-CZ2 3.76Å; A56-W506 HydrophobicContact CB-CZ3 4.3Å |
| 57 | Q | 88.9 | Confident | 90.2 | Very high | 117 Ų | 117 | 53.2 Ų | 53.2 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -21 | 173.1 | 60.8 | -93 | 30.9 | 0 | 0 | 113.3 | P55 R59 | P55-Q57 HydrophobicContact CB-CG 4.12Å; P55-Q57 VanDerWaalsContact CB-OE1 3.24Å; P55-Q57 PolarHBondContact O-N 3.25Å; Q57-R59 PolarHBondContact O-N 3.47Å |
| 58 | F | 88.9 | Confident | 90.8 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | trans | -84.7 | 107 | -179.7 | -67.2 | 6.4 | 0 | 0 | 0 | 108.9 | V54 P55 A56 W62 F251 I253 H262 | V54-F58 HydrophobicContact CB-CB 4.24Å; V54-F58 HydrophobicContact CB-CD2 4.24Å; V54-F58 HydrophobicContact CG2-CB 3.98Å; P55-F58 HydrophobicContact CG-CE2 4.39Å; P55-F58 WeakPolarHBondContact O-CB 3.4Å; P55-F58 PolarHBondContact O-N 3.29Å; A56-F58 VanDerWaalsContact C-N 3.27Å; F58-W62 HydrophobicContact CB-CB 3.83Å; F58-W62 HydrophobicContact CD1-CB 4.44Å; F58-W62 HydrophobicContact CD1-CD2 4.43Å; F58-W62 AromaticContact CD1-CE3 3.51Å; F58-W62 HydrophobicContact CD1-CE3 3.51Å; F58-W62 HydrophobicContact CD1-CZ3 4.15Å; F58-W62 HydrophobicContact CD2-CB 4.49Å; F58-W62 HydrophobicContact CE1-CE3 4.05Å; F58-W62 HydrophobicContact CE1-CZ3 4.45Å; F58-W62 HydrophobicContact CG-CB 4.03Å; F58-W62 HydrophobicContact CG-CE3 4.23Å; F58-F251 HydrophobicContact CD2-CZ 4.41Å; F58-F251 AromaticContact CE2-CE2 3.96Å; F58-F251 HydrophobicContact CE2-CE2 3.96Å; F58-F251 AromaticContact CE2-CZ 3.76Å; F58-F251 HydrophobicContact CE2-CZ 3.76Å; F58-I253 HydrophobicContact CE1-CD1 4.48Å; F58-I253 HydrophobicContact CE2-CD1 3.96Å; F58-I253 HydrophobicContact CZ-CD1 3.53Å; F58-H262 AromaticContact CZ-NE2 3.88Å | ||
| 59 | R | 86.6 | Confident | 91.4 | Very high | 180 Ų | 180 | 55 Ų | 55 | 68% | 0.679 | 28% | 0.276 | S | S | * | . | trans | -120.6 | 141.3 | -179.1 | -63 | -173.8 | 179.5 | -177.1 | 1.2 | 110.7 | Q57 G61 W62 | Q57-R59 PolarHBondContact O-N 3.47Å; R59-G61 PolarHBondContact O-N 3.2Å; R59-W62 PolarHBondContact O-N 3.29Å | ||
| 60 | G | 87.9 | Confident | 91.7 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -106.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W62 E63 Q64 | G60-W62 VanDerWaalsContact C-N 3.32Å; G60-W62 PolarHBondContact O-N 3.43Å; G60-E63 WeakPolarHBondContact O-CB 3.37Å; G60-E63 PolarHBondContact O-N 3.01Å; G60-Q64 PolarHBondContact O-N 3.34Å |
| 61 | G | 90.6 | Very high | 91.8 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -33.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R59 Y65 | R59-G61 PolarHBondContact O-N 3.2Å; G61-Y65 VanDerWaalsContact O-CB 3.31Å; G61-Y65 WeakPolarHBondContact O-CB 3.24Å; G61-Y65 PolarHBondContact O-N 2.97Å |
| 62 | W | 92.3 | Very high | 91.8 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -73.2 | -34.5 | 178.7 | -65.8 | -3.3 | 0 | 0 | 0 | 112.5 | F58 R59 G60 Y65 A66 | F58-W62 HydrophobicContact CB-CB 3.83Å; F58-W62 HydrophobicContact CD1-CB 4.44Å; F58-W62 HydrophobicContact CD1-CD2 4.43Å; F58-W62 AromaticContact CD1-CE3 3.51Å; F58-W62 HydrophobicContact CD1-CE3 3.51Å; F58-W62 HydrophobicContact CD1-CZ3 4.15Å; F58-W62 HydrophobicContact CD2-CB 4.49Å; F58-W62 HydrophobicContact CE1-CE3 4.05Å; F58-W62 HydrophobicContact CE1-CZ3 4.45Å; F58-W62 HydrophobicContact CG-CB 4.03Å; F58-W62 HydrophobicContact CG-CE3 4.23Å; R59-W62 PolarHBondContact O-N 3.29Å; G60-W62 VanDerWaalsContact C-N 3.32Å; G60-W62 PolarHBondContact O-N 3.43Å; W62-Y65 PolarHBondContact O-N 3.37Å; W62-A66 WeakPolarHBondContact O-CB 3.5Å; W62-A66 PolarHBondContact O-N 3.48Å |
| 63 | E | 92.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -52.4 | 173.7 | -178.5 | -171.7 | 135.9 | 0 | 0 | 110.1 | V54 G60 Y65 A66 E67 G505 | V54-E63 HydrophobicContact CG2-CB 4.31Å; V54-E63 HydrophobicContact CG2-CG 4.06Å; G60-E63 WeakPolarHBondContact O-CB 3.37Å; G60-E63 PolarHBondContact O-N 3.01Å; E63-Y65 VanDerWaalsContact C-N 3.27Å; E63-Y65 PolarHBondContact O-N 2.69Å; E63-A66 PolarHBondContact O-N 3.44Å; E63-A66 VanDerWaalsContact O-N 3.11Å; E63-E67 WeakPolarHBondContact O-CG 3.41Å; E63-E67 PolarHBondContact O-N 3.03Å; E63-G505 VanDerWaalsContact CD-N 3.33Å; E63-G505 WeakPolarHBondContact OE1-CA 3.33Å; E63-G505 PolarHBondContact OE1-N 3.16Å; E63-G505 PolarHBondContact OE2-N 2.96Å |
| 64 | Q | 91.7 | Very high | 91.5 | Very high | 118 Ų | 118 | 65.1 Ų | 65.1 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60 | -36.8 | 176.1 | -68.8 | 178.7 | -2.4 | 0 | 0 | 112.6 | G60 N68 | G60-Q64 PolarHBondContact O-N 3.34Å; Q64-N68 VanDerWaalsContact O-CB 3.25Å; Q64-N68 WeakPolarHBondContact O-CB 3.46Å; Q64-N68 VanDerWaalsContact O-CG 3.25Å; Q64-N68 PolarHBondContact O-N 3.47Å; Q64-N68 PolarHBondContact O-ND2 3.2Å |
| 65 | Y | 93.2 | Very high | 91.5 | Very high | 127 Ų | 127 | 65 Ų | 65 | 50% | 0.498 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 174.2 | 175.8 | -94.4 | 0 | 0 | 0 | 111.2 | G61 W62 E63 E67 N68 Y69 | G61-Y65 VanDerWaalsContact O-CB 3.31Å; G61-Y65 WeakPolarHBondContact O-CB 3.24Å; G61-Y65 PolarHBondContact O-N 2.97Å; W62-Y65 PolarHBondContact O-N 3.37Å; E63-Y65 VanDerWaalsContact C-N 3.27Å; E63-Y65 PolarHBondContact O-N 2.69Å; Y65-E67 PolarHBondContact O-N 3.34Å; Y65-N68 PolarHBondContact O-N 3.25Å; Y65-Y69 HydrophobicContact CE1-CD2 4.32Å; Y65-Y69 WeakPolarHBondContact O-CB 3.33Å; Y65-Y69 PolarHBondContact O-N 3.43Å |
| 66 | A | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V54 W62 E63 Y69 C70 F251 | V54-A66 HydrophobicContact CG1-CB 3.71Å; W62-A66 WeakPolarHBondContact O-CB 3.5Å; W62-A66 PolarHBondContact O-N 3.48Å; E63-A66 PolarHBondContact O-N 3.44Å; E63-A66 VanDerWaalsContact O-N 3.11Å; A66-Y69 PolarHBondContact O-N 2.87Å; A66-C70 VanDerWaalsContact O-CB 3.26Å; A66-C70 WeakPolarHBondContact O-CB 3.29Å; A66-C70 PolarHBondContact O-N 2.89Å; A66-C70 PolarHBondContact O-SG 3.44Å; A66-F251 HydrophobicContact CB-CE1 3.97Å; A66-F251 HydrophobicContact CB-CE2 4.32Å; A66-F251 HydrophobicContact CB-CZ 3.71Å |
| 67 | E | 93.7 | Very high | 91.8 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 177.7 | -70.6 | -179.7 | 157.2 | 0 | 0 | 112.4 | I50 Q51 C52 E63 Y65 Y69 C70 F71 | I50-E67 HydrophobicContact CG2-CB 4.37Å; Q51-E67 VanDerWaalsContact CA-OE1 3.32Å; Q51-E67 WeakPolarHBondContact CA-OE1 3.27Å; C52-E67 HydrophobicContact CB-CG 3.95Å; C52-E67 PolarHBondContact N-OE1 3.19Å; E63-E67 WeakPolarHBondContact O-CG 3.41Å; E63-E67 PolarHBondContact O-N 3.03Å; Y65-E67 PolarHBondContact O-N 3.34Å; E67-Y69 PolarHBondContact O-N 3.12Å; E67-C70 PolarHBondContact O-N 2.73Å; E67-F71 WeakPolarHBondContact O-CB 3.48Å; E67-F71 PolarHBondContact O-N 2.95Å |
| 68 | N | 93.1 | Very high | 91.7 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.1 | -73.9 | -46.6 | 0 | 0 | 0 | 111.9 | Q64 Y65 F71 V72 | Q64-N68 VanDerWaalsContact O-CB 3.25Å; Q64-N68 WeakPolarHBondContact O-CB 3.46Å; Q64-N68 VanDerWaalsContact O-CG 3.25Å; Q64-N68 PolarHBondContact O-N 3.47Å; Q64-N68 PolarHBondContact O-ND2 3.2Å; Y65-N68 PolarHBondContact O-N 3.25Å; N68-F71 PolarHBondContact O-N 3.25Å; N68-V72 WeakPolarHBondContact O-CB 3.34Å; N68-V72 VanDerWaalsContact O-CG2 3.28Å; N68-V72 WeakPolarHBondContact O-CG2 3.41Å; N68-V72 PolarHBondContact O-N 2.77Å |
| 69 | Y | 94.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 174.2 | -175.5 | -77 | 0 | 0 | 0 | 110.4 | Y65 A66 E67 F71 V72 Q73 F251 | Y65-Y69 HydrophobicContact CE1-CD2 4.32Å; Y65-Y69 WeakPolarHBondContact O-CB 3.33Å; Y65-Y69 PolarHBondContact O-N 3.43Å; A66-Y69 PolarHBondContact O-N 2.87Å; E67-Y69 PolarHBondContact O-N 3.12Å; Y69-F71 VanDerWaalsContact C-N 3.29Å; Y69-F71 PolarHBondContact O-N 2.02Å; Y69-V72 PolarHBondContact O-N 3.31Å; Y69-V72 VanDerWaalsContact O-N 3.15Å; Y69-Q73 HydrophobicContact CD1-CB 4.15Å; Y69-Q73 HydrophobicContact CD1-CG 3.92Å; Y69-Q73 HydrophobicContact CD2-CG 4.47Å; Y69-Q73 HydrophobicContact CE1-CB 3.86Å; Y69-Q73 HydrophobicContact CE1-CG 3.52Å; Y69-Q73 HydrophobicContact CE2-CG 4.14Å; Y69-Q73 HydrophobicContact CG-CG 4.38Å; Y69-Q73 WeakPolarHBondContact O-CB 3.48Å; Y69-Q73 PolarHBondContact O-N 2.97Å; Y69-F251 HydrophobicContact CD1-CB 3.3Å; Y69-F251 HydrophobicContact CD1-CG 4.26Å; Y69-F251 HydrophobicContact CE1-CB 3.14Å; Y69-F251 HydrophobicContact CE1-CG 4.45Å; Y69-F251 HydrophobicContact CG-CB 4.09Å |
| 70 | C | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -35.6 | 178.8 | -71.5 | 0 | 0 | 0 | 0 | 112.6 | I50 A66 E67 T75 C249 | I50-C70 HydrophobicContact CD1-CB 4.3Å; A66-C70 VanDerWaalsContact O-CB 3.26Å; A66-C70 WeakPolarHBondContact O-CB 3.29Å; A66-C70 PolarHBondContact O-N 2.89Å; A66-C70 PolarHBondContact O-SG 3.44Å; E67-C70 PolarHBondContact O-N 2.73Å; C70-T75 HydrophobicContact CB-CG2 4.45Å; C70-T75 WeakPolarHBondContact O-CG2 3.5Å; C70-C249 WeakPolarHBondContact CA-SG 3.44Å; C70-C249 HydrophobicContact CB-CB 3.61Å; C70-C249 WeakPolarHBondContact CB-SG 3.45Å; C70-C249 WeakPolarHBondContact SG-CB 3.12Å; C70-C249 CovalentContact SG-SG 2.03Å; C70-C249 PolarHBondContact SG-SG 3.31Å |
| 71 | F | 93.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 55.2 Ų | 55.2 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 173.1 | -170.5 | -111.4 | 0 | 0 | 0 | 111 | Q44 P49 I50 E67 N68 Y69 Y99 Q100 | Q44-F71 HydrophobicContact CG-CE1 4.45Å; Q44-F71 HydrophobicContact CG-CZ 3.93Å; P49-F71 HydrophobicContact CB-CD2 4.21Å; P49-F71 HydrophobicContact CB-CE2 3.74Å; P49-F71 HydrophobicContact CB-CZ 4.23Å; P49-F71 HydrophobicContact CG-CD2 3.82Å; P49-F71 HydrophobicContact CG-CE1 4.43Å; P49-F71 HydrophobicContact CG-CE2 3.69Å; P49-F71 HydrophobicContact CG-CG 4.27Å; P49-F71 HydrophobicContact CG-CZ 4.02Å; I50-F71 HydrophobicContact CB-CD2 4.3Å; I50-F71 HydrophobicContact CG2-CB 3.84Å; I50-F71 HydrophobicContact CG2-CD2 4.11Å; I50-F71 HydrophobicContact CG2-CG 4.33Å; E67-F71 WeakPolarHBondContact O-CB 3.48Å; E67-F71 PolarHBondContact O-N 2.95Å; N68-F71 PolarHBondContact O-N 3.25Å; Y69-F71 VanDerWaalsContact C-N 3.29Å; Y69-F71 PolarHBondContact O-N 2.02Å; F71-Y99 AromaticContact CD2-CE2 3.95Å; F71-Y99 HydrophobicContact CD2-CE2 3.95Å; F71-Y99 AromaticContact CE2-CD2 3.87Å; F71-Y99 HydrophobicContact CE2-CD2 3.87Å; F71-Y99 AromaticContact CE2-CE2 3.75Å; F71-Y99 HydrophobicContact CE2-CE2 3.75Å; F71-Y99 HydrophobicContact CZ-CD2 4.48Å; F71-Q100 HydrophobicContact CZ-CG 4.46Å; F71-Q100 PolarHBondContact O-NE2 3.19Å |
| 72 | V | 92.7 | Very high | 90.8 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 58% | 0.576 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -78.9 | -38.5 | -172.9 | 172.9 | 0 | 0 | 0 | 0 | 113.7 | N68 Y69 N74 Q100 | N68-V72 WeakPolarHBondContact O-CB 3.34Å; N68-V72 VanDerWaalsContact O-CG2 3.28Å; N68-V72 WeakPolarHBondContact O-CG2 3.41Å; N68-V72 PolarHBondContact O-N 2.77Å; Y69-V72 PolarHBondContact O-N 3.31Å; Y69-V72 VanDerWaalsContact O-N 3.15Å; V72-N74 VanDerWaalsContact C-N 3.28Å; V72-N74 PolarHBondContact O-N 3.43Å; V72-Q100 VanDerWaalsContact C-NE2 3.29Å; V72-Q100 PolarHBondContact O-NE2 3.4Å |
| 73 | Q | 89.9 | Confident | 90.4 | Very high | 94 Ų | 94 | 56 Ų | 56 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -83.2 | 0.1 | -175.5 | -74.6 | -75.6 | -8.1 | 0 | 0 | 114.8 | Y69 | Y69-Q73 HydrophobicContact CD1-CB 4.15Å; Y69-Q73 HydrophobicContact CD1-CG 3.92Å; Y69-Q73 HydrophobicContact CD2-CG 4.47Å; Y69-Q73 HydrophobicContact CE1-CB 3.86Å; Y69-Q73 HydrophobicContact CE1-CG 3.52Å; Y69-Q73 HydrophobicContact CE2-CG 4.14Å; Y69-Q73 HydrophobicContact CG-CG 4.38Å; Y69-Q73 WeakPolarHBondContact O-CB 3.48Å; Y69-Q73 PolarHBondContact O-N 2.97Å |
| 74 | N | 91.9 | Very high | 90.1 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | trans | 73 | 158 | -171.6 | -50.6 | -56.6 | 0 | 0 | 0 | 113.5 | V72 K95 I96 G97 Y99 Q100 | V72-N74 VanDerWaalsContact C-N 3.28Å; V72-N74 PolarHBondContact O-N 3.43Å; N74-K95 HydrophobicContact CB-CB 4.43Å; N74-I96 WeakPolarHBondContact CB-O 3.37Å; N74-G97 WeakPolarHBondContact OD1-CA 3.28Å; N74-Y99 WeakPolarHBondContact CA-OH 3.1Å; N74-Q100 PolarHBondContact OD1-NE2 2.98Å; N74-Q100 VanDerWaalsContact OD1-NE2 3.1Å; N74-Q100 PolarHBondContact OD1-OE1 2.81Å | ||
| 75 | T | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 160.6 | 178.9 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | I50 C70 K95 I96 Y99 T247 L248 C249 | I50-T75 HydrophobicContact CD1-CG2 4.11Å; C70-T75 HydrophobicContact CB-CG2 4.45Å; C70-T75 WeakPolarHBondContact O-CG2 3.5Å; T75-K95 CarbonylContact O-C 3.49Å; T75-K95 WeakPolarHBondContact O-CA 3.08Å; T75-I96 PolarHBondContact O-N 2.98Å; T75-Y99 PolarHBondContact N-OH 2.61Å; T75-Y99 PolarHBondContact OG1-OH 3.48Å; T75-T247 WeakPolarHBondContact CB-OG1 3.44Å; T75-T247 WeakPolarHBondContact OG1-CB 3.48Å; T75-T247 PolarHBondContact OG1-OG1 2.95Å; T75-L248 CarbonylContact C-O 3.58Å; T75-L248 WeakPolarHBondContact CA-O 3.32Å; T75-L248 WeakPolarHBondContact CB-O 3.36Å; T75-C249 HydrophobicContact CG2-CB 4.02Å |
| 76 | Y | 93.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 148.5 | 179.2 | 61.5 | -84.8 | 0 | 0 | 0 | 111.5 | R91 R94 T247 L248 D250 | Y76-R91 HydrophobicContact CD1-CB 4.48Å; Y76-R91 HydrophobicContact CD2-CB 4.5Å; Y76-R91 HydrophobicContact CE1-CB 4.34Å; Y76-R91 HydrophobicContact CE2-CB 4.33Å; Y76-R91 HydrophobicContact CE2-CG 4.24Å; Y76-R94 WeakPolarHBondContact CA-O 3.4Å; Y76-R94 VanDerWaalsContact CB-O 3.32Å; Y76-R94 WeakPolarHBondContact CB-O 3.38Å; Y76-T247 WeakPolarHBondContact O-CA 3.46Å; Y76-T247 WeakPolarHBondContact O-CB 3.48Å; Y76-L248 HydrophobicContact CD1-CB 4.26Å; Y76-L248 WeakPolarHBondContact CD1-O 3.5Å; Y76-L248 HydrophobicContact CD2-CB 3.98Å; Y76-L248 HydrophobicContact CD2-CD1 4.4Å; Y76-L248 HydrophobicContact CE1-CB 3.77Å; Y76-L248 WeakPolarHBondContact CE1-O 3.04Å; Y76-L248 HydrophobicContact CE2-CB 3.47Å; Y76-L248 VanDerWaalsContact CE2-CB 3.47Å; Y76-L248 HydrophobicContact CE2-CD1 3.6Å; Y76-L248 HydrophobicContact CE2-CG 4.16Å; Y76-L248 HydrophobicContact CG-CB 4.35Å; Y76-L248 PolarHBondContact N-O 2.91Å; Y76-L248 PolarHBondContact O-N 2.98Å; Y76-D250 HydrophobicContact CE1-CB 4.48Å; Y76-D250 PolarHBondContact OH-OD1 2.91Å; Y76-D250 PolarHBondContact OH-OD2 2.96Å |
| 77 | F | 90.4 | Very high | 89 | Confident | 27 Ų | 27 | 62 Ų | 62 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | trans | -98.5 | 135.9 | 178.8 | 170.5 | -113.4 | 0 | 0 | 0 | 111.8 | P79 I96 W237 G241 P244 | F77-P79 HydrophobicContact CE1-CG 3.96Å; F77-P79 HydrophobicContact CZ-CG 3.87Å; F77-I96 HydrophobicContact CB-CD1 3.75Å; F77-W237 HydrophobicContact CD2-CZ3 4.08Å; F77-W237 HydrophobicContact CE2-CE3 4.17Å; F77-W237 AromaticContact CE2-CZ3 3.54Å; F77-W237 HydrophobicContact CE2-CZ3 3.54Å; F77-W237 HydrophobicContact CZ-CZ3 4.37Å; F77-G241 VanDerWaalsContact CE1-CA 3.47Å; F77-P244 HydrophobicContact CB-CB 3.84Å; F77-P244 HydrophobicContact CB-CG 3.78Å; F77-P244 HydrophobicContact CD1-CB 4.44Å; F77-P244 HydrophobicContact CD2-CB 3.49Å; F77-P244 VanDerWaalsContact CD2-CB 3.49Å; F77-P244 HydrophobicContact CD2-CG 4.37Å; F77-P244 HydrophobicContact CE2-CB 4.21Å; F77-P244 HydrophobicContact CG-CB 3.64Å; F77-P244 HydrophobicContact CG-CG 4.05Å | ||
| 78 | L | 88.1 | Confident | 88.6 | Confident | 10 Ų | 10 | 65.2 Ų | 65.2 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | trans | -142.7 | 122 | 174.4 | -172 | 67.9 | 0 | 0 | 0 | 109.7 | K82 D83 V84 L248 R694 | L78-K82 HydrophobicContact CD1-CB 3.8Å; L78-K82 HydrophobicContact CD1-CD 4.34Å; L78-K82 WeakPolarHBondContact CD2-O 3.29Å; L78-K82 HydrophobicContact CG-CB 4.1Å; L78-D83 WeakPolarHBondContact CD2-O 2.94Å; L78-V84 HydrophobicContact CD2-CB 4.49Å; L78-V84 HydrophobicContact CD2-CG2 4.32Å; L78-L248 HydrophobicContact CB-CD1 4.04Å; L78-L248 HydrophobicContact CD2-CD1 4.1Å; L78-R694 PolarHBondContact O-NH1 2.96Å | ||
| 79 | P | 86.2 | Confident | 88.4 | Confident | 22 Ų | 22 | 65 Ų | 65 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | trans | -53.3 | 150.8 | 173.7 | -29.9 | 38 | 0 | 0 | 0 | 113.4 | F77 D81 K82 R694 | F77-P79 HydrophobicContact CE1-CG 3.96Å; F77-P79 HydrophobicContact CZ-CG 3.87Å; P79-D81 WeakPolarHBondContact CB-OD1 3.45Å; P79-D81 PolarHBondContact O-N 3.43Å; P79-K82 PolarHBondContact O-N 3.14Å; P79-R694 PolarHBondContact O-NH1 3.47Å; P79-R694 PolarHBondContact O-NH2 2.81Å | ||
| 80 | F | 83.3 | Confident | 88.1 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.3 | -174.5 | -79.2 | -77 | 0 | 0 | 0 | 114.2 | W237 V246 Y513 E692 R694 V699 | F80-W237 HydrophobicContact CE2-CH2 4.45Å; F80-V246 HydrophobicContact CZ-CG1 4.22Å; F80-Y513 HydrophobicContact CZ-CE2 4.42Å; F80-E692 HydrophobicContact CD1-CB 4.28Å; F80-E692 WeakPolarHBondContact CD1-OE2 3.38Å; F80-E692 HydrophobicContact CE1-CB 3.95Å; F80-E692 HydrophobicContact CZ-CB 4.46Å; F80-R694 PolarHBondContact O-NH2 3.44Å; F80-V699 HydrophobicContact CD1-CG1 4.45Å |
| 81 | D | 82.7 | Confident | 87.8 | Confident | 130 Ų | 130 | 66.4 Ų | 66.4 | 70% | 0.695 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -16.3 | 175.7 | 60.4 | -58.1 | 0 | 0 | 0 | 114.2 | P79 | P79-D81 WeakPolarHBondContact CB-OD1 3.45Å; P79-D81 PolarHBondContact O-N 3.43Å |
| 82 | K | 82.9 | Confident | 87.6 | Confident | 98 Ų | 98 | 68.6 Ų | 68.6 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -101.9 | 129.6 | -177.3 | -63.7 | -172.8 | -179.8 | -179.8 | 0 | 112.5 | L78 P79 R694 | L78-K82 HydrophobicContact CD1-CB 3.8Å; L78-K82 HydrophobicContact CD1-CD 4.34Å; L78-K82 WeakPolarHBondContact CD2-O 3.29Å; L78-K82 HydrophobicContact CG-CB 4.1Å; P79-K82 PolarHBondContact O-N 3.14Å; K82-R694 PolarHBondContact O-NH1 3.37Å; K82-R694 PolarHBondContact O-NH2 2.87Å |
| 83 | D | 83.9 | Confident | 87.3 | Confident | 131 Ų | 131 | 74.2 Ų | 74.2 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 150.7 | 172.8 | -68.1 | -39.1 | 0 | 0 | 0 | 112.1 | L78 P85 | L78-D83 WeakPolarHBondContact CD2-O 2.94Å; D83-P85 VanDerWaalsContact O-CD 3.25Å; D83-P85 WeakPolarHBondContact O-CD 3.31Å |
| 84 | V | 85.2 | Confident | 87.2 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 117.8 | 177.8 | -171.9 | 0 | 0 | 0 | 0 | 109 | L78 R86 R91 L248 R694 | L78-V84 HydrophobicContact CD2-CB 4.49Å; L78-V84 HydrophobicContact CD2-CG2 4.32Å; V84-R86 PolarHBondContact O-N 3.42Å; V84-R91 VanDerWaalsContact CG1-CZ 3.48Å; V84-L248 HydrophobicContact CG2-CD1 4.11Å; V84-R694 HydrophobicContact CG2-CG 4.34Å |
| 85 | P | 85.4 | Confident | 87.2 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 137.6 | -178.1 | -26.2 | 34.6 | 0 | 0 | 0 | 111.7 | D83 E87 E90 R91 | D83-P85 VanDerWaalsContact O-CD 3.25Å; D83-P85 WeakPolarHBondContact O-CD 3.31Å; P85-E87 VanDerWaalsContact C-N 3.3Å; P85-E90 HydrophobicContact CB-CB 4.31Å; P85-E90 HydrophobicContact CB-CG 4.48Å; P85-E90 VanDerWaalsContact CB-OE2 3.32Å; P85-E90 WeakPolarHBondContact CB-OE2 3.2Å; P85-E90 HydrophobicContact CG-CG 4.41Å; P85-R91 PolarHBondContact O-NE 2.95Å; P85-R91 PolarHBondContact O-NH2 3.36Å |
| 86 | R | 84.2 | Confident | 87 | Confident | 240 Ų | 240 | 76.8 Ų | 76.8 | 91% | 0.906 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -71.8 | -30 | 175.4 | -67.4 | -175.5 | 179.6 | -176.8 | 0.3 | 112.1 | V84 I88 | V84-R86 PolarHBondContact O-N 3.42Å; R86-I88 PolarHBondContact O-N 2.88Å |
| 87 | E | 87.1 | Confident | 86.8 | Confident | 123 Ų | 123 | 77.7 Ų | 77.7 | 58% | 0.575 | 37% | 0.367 | S | S | * | . | trans | -74.8 | 123.3 | 179.8 | -172.2 | 168.5 | -169.7 | 0 | 0 | 111 | P85 V89 E90 | P85-E87 VanDerWaalsContact C-N 3.3Å; E87-V89 VanDerWaalsContact C-N 3.31Å; E87-V89 HydrophobicContact CG-CB 4.08Å; E87-V89 HydrophobicContact CG-CG2 4.39Å; E87-V89 PolarHBondContact O-N 2.89Å; E87-E90 PolarHBondContact O-N 3.41Å | ||
| 88 | I | 84.4 | Confident | 86.9 | Confident | 82 Ų | 82 | 77.8 Ų | 77.8 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68 | -36.6 | -177.3 | -60.2 | 168.9 | 0 | 0 | 0 | 110.7 | R86 E90 R91 D92 R261 | R86-I88 PolarHBondContact O-N 2.88Å; I88-E90 VanDerWaalsContact C-N 3.28Å; I88-E90 PolarHBondContact O-N 2.75Å; I88-R91 WeakPolarHBondContact O-CB 3.4Å; I88-R91 PolarHBondContact O-N 3.43Å; I88-R91 VanDerWaalsContact O-N 3.09Å; I88-D92 PolarHBondContact O-N 3.13Å; I88-R261 VanDerWaalsContact CG2-NH1 3.27Å |
| 89 | V | 88.6 | Confident | 87.1 | Confident | 98 Ų | 98 | 77.3 Ų | 77.3 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.8 | -39.9 | -179.2 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | E87 R91 D92 Y93 | E87-V89 VanDerWaalsContact C-N 3.31Å; E87-V89 HydrophobicContact CG-CB 4.08Å; E87-V89 HydrophobicContact CG-CG2 4.39Å; E87-V89 PolarHBondContact O-N 2.89Å; V89-R91 PolarHBondContact O-N 3.32Å; V89-D92 PolarHBondContact O-N 3.49Å; V89-Y93 PolarHBondContact O-N 3.12Å |
| 90 | E | 87.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 177.1 | -168.1 | -174.1 | 163.6 | 0 | 0 | 111.8 | P85 E87 I88 D92 Y93 R94 | P85-E90 HydrophobicContact CB-CB 4.31Å; P85-E90 HydrophobicContact CB-CG 4.48Å; P85-E90 VanDerWaalsContact CB-OE2 3.32Å; P85-E90 WeakPolarHBondContact CB-OE2 3.2Å; P85-E90 HydrophobicContact CG-CG 4.41Å; E87-E90 PolarHBondContact O-N 3.41Å; I88-E90 VanDerWaalsContact C-N 3.28Å; I88-E90 PolarHBondContact O-N 2.75Å; E90-D92 VanDerWaalsContact C-N 3.33Å; E90-Y93 PolarHBondContact O-N 3.01Å; E90-R94 WeakPolarHBondContact O-CG 3.26Å; E90-R94 PolarHBondContact O-N 3.28Å; E90-R94 IonicContact OE1-CZ 3.89Å; E90-R94 IonicContact OE1-NE 3.59Å; E90-R94 PolarHBondContact OE1-NE 3.26Å; E90-R94 VanDerWaalsContact OE1-NE 3.17Å; E90-R94 IonicContact OE1-NH2 2.74Å; E90-R94 PolarHBondContact OE1-NH2 3.31Å |
| 91 | R | 89.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 82 Ų | 82 | 6% | 0.057 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.5 | -56.1 | -177.4 | -168.9 | -167.2 | -1 | 111.2 | Y76 V84 P85 I88 V89 R94 K95 D250 T263 | Y76-R91 HydrophobicContact CD1-CB 4.48Å; Y76-R91 HydrophobicContact CD2-CB 4.5Å; Y76-R91 HydrophobicContact CE1-CB 4.34Å; Y76-R91 HydrophobicContact CE2-CB 4.33Å; Y76-R91 HydrophobicContact CE2-CG 4.24Å; V84-R91 VanDerWaalsContact CG1-CZ 3.48Å; P85-R91 PolarHBondContact O-NE 2.95Å; P85-R91 PolarHBondContact O-NH2 3.36Å; I88-R91 WeakPolarHBondContact O-CB 3.4Å; I88-R91 PolarHBondContact O-N 3.43Å; I88-R91 VanDerWaalsContact O-N 3.09Å; V89-R91 PolarHBondContact O-N 3.32Å; R91-R94 PolarHBondContact O-N 2.9Å; R91-K95 PolarHBondContact O-N 3Å; R91-D250 WeakPolarHBondContact CD-OD2 3.27Å; R91-D250 IonicContact CZ-OD2 2.83Å; R91-D250 IonicContact NE-OD2 3.58Å; R91-D250 IonicContact NH1-OD1 2.83Å; R91-D250 PolarHBondContact NH1-OD1 3.13Å; R91-D250 IonicContact NH1-OD2 3.97Å; R91-D250 PolarHBondContact NH1-OD2 2.91Å; R91-T263 PolarHBondContact NH1-OG1 3Å; R91-T263 VanDerWaalsContact NH1-OG1 3.08Å |
| 92 | D | 87.9 | Confident | 88.3 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.9 | -75.2 | -27.4 | 0 | 0 | 0 | 112.4 | I88 V89 E90 R94 K95 | I88-D92 PolarHBondContact O-N 3.13Å; V89-D92 PolarHBondContact O-N 3.49Å; E90-D92 VanDerWaalsContact C-N 3.33Å; D92-R94 PolarHBondContact O-N 2.82Å; D92-K95 WeakPolarHBondContact O-CB 3.46Å; D92-K95 PolarHBondContact O-N 3.33Å; D92-K95 WeakPolarHBondContact OD1-CE 3.23Å; D92-K95 IonicContact OD1-NZ 4Å; D92-K95 PolarHBondContact OD1-NZ 3.35Å |
| 93 | Y | 87.6 | Confident | 88.8 | Confident | 212 Ų | 212 | 71.4 Ų | 71.4 | 83% | 0.831 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65 | -26.2 | 175.7 | -173.6 | -98.2 | 0 | 0 | 0 | 113.1 | V89 E90 | V89-Y93 PolarHBondContact O-N 3.12Å; E90-Y93 PolarHBondContact O-N 3.01Å |
| 94 | R | 88.2 | Confident | 89.3 | Confident | 78 Ų | 78 | 68.6 Ų | 68.6 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 2.7 | 179.3 | -66.7 | 170.7 | -179 | -97.6 | 1.8 | 113.6 | Y76 E90 R91 D92 | Y76-R94 WeakPolarHBondContact CA-O 3.4Å; Y76-R94 VanDerWaalsContact CB-O 3.32Å; Y76-R94 WeakPolarHBondContact CB-O 3.38Å; E90-R94 WeakPolarHBondContact O-CG 3.26Å; E90-R94 PolarHBondContact O-N 3.28Å; E90-R94 IonicContact OE1-CZ 3.89Å; E90-R94 IonicContact OE1-NE 3.59Å; E90-R94 PolarHBondContact OE1-NE 3.26Å; E90-R94 VanDerWaalsContact OE1-NE 3.17Å; E90-R94 IonicContact OE1-NH2 2.74Å; E90-R94 PolarHBondContact OE1-NH2 3.31Å; R91-R94 PolarHBondContact O-N 2.9Å; D92-R94 PolarHBondContact O-N 2.82Å |
| 95 | K | 90.8 | Very high | 89.7 | Confident | 89 Ų | 89 | 68.8 Ų | 68.8 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 139.6 | -179.3 | -77.9 | 176.5 | 169.9 | 167.1 | 0 | 111.8 | N74 T75 R91 D92 | N74-K95 HydrophobicContact CB-CB 4.43Å; T75-K95 CarbonylContact O-C 3.49Å; T75-K95 WeakPolarHBondContact O-CA 3.08Å; R91-K95 PolarHBondContact O-N 3Å; D92-K95 WeakPolarHBondContact O-CB 3.46Å; D92-K95 PolarHBondContact O-N 3.33Å; D92-K95 WeakPolarHBondContact OD1-CE 3.23Å; D92-K95 IonicContact OD1-NZ 4Å; D92-K95 PolarHBondContact OD1-NZ 3.35Å |
| 96 | I | 89.7 | Confident | 90.2 | Very high | 30 Ų | 30 | 67.9 Ų | 67.9 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.4 | -177.9 | -57.3 | 170.7 | 0 | 0 | 0 | 107.3 | N74 T75 F77 Y98 Y99 P244 | N74-I96 WeakPolarHBondContact CB-O 3.37Å; T75-I96 PolarHBondContact O-N 2.98Å; F77-I96 HydrophobicContact CB-CD1 3.75Å; I96-Y98 HydrophobicContact CG2-CD1 3.44Å; I96-Y98 VanDerWaalsContact CG2-CD1 3.44Å; I96-Y98 HydrophobicContact CG2-CE1 3.21Å; I96-Y98 HydrophobicContact CG2-CG 4.5Å; I96-Y99 HydrophobicContact CG2-CD1 4.26Å; I96-Y99 HydrophobicContact CG2-CE1 4.46Å; I96-Y99 WeakPolarHBondContact O-CE1 3.28Å; I96-P244 HydrophobicContact CD1-CG 3.4Å |
| 97 | G | 89.5 | Confident | 90.7 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | trans | -125.1 | -1.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | N74 Y99 Q100 | N74-G97 WeakPolarHBondContact OD1-CA 3.28Å; G97-Y99 VanDerWaalsContact C-N 3.27Å; G97-Y99 PolarHBondContact O-N 3.49Å; G97-Q100 PolarHBondContact O-N 3.36Å | ||
| 98 | Y | 91.5 | Very high | 91.1 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 11% | 0.114 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -34.7 | -175.4 | 69.3 | -101.5 | 0 | 0 | 0 | 112.5 | I96 Q100 W101 V102 F215 L216 F243 N271 | I96-Y98 HydrophobicContact CG2-CD1 3.44Å; I96-Y98 VanDerWaalsContact CG2-CD1 3.44Å; I96-Y98 HydrophobicContact CG2-CE1 3.21Å; I96-Y98 HydrophobicContact CG2-CG 4.5Å; Y98-Q100 PolarHBondContact O-N 3.49Å; Y98-Q100 VanDerWaalsContact O-N 3.07Å; Y98-W101 PolarHBondContact O-N 3.17Å; Y98-V102 HydrophobicContact CD2-CG2 4.25Å; Y98-V102 WeakPolarHBondContact O-CG2 3.3Å; Y98-V102 PolarHBondContact O-N 2.9Å; Y98-F215 HydrophobicContact CD2-CE1 4.15Å; Y98-F215 HydrophobicContact CG-CE1 4.36Å; Y98-F215 WeakPolarHBondContact O-CZ 3.16Å; Y98-L216 HydrophobicContact CD2-CD2 4.07Å; Y98-L216 HydrophobicContact CE2-CD2 4.13Å; Y98-L216 HydrophobicContact CG-CD2 4.34Å; Y98-F243 AromaticContact CE2-CD1 3.95Å; Y98-F243 HydrophobicContact CE2-CD1 3.95Å; Y98-F243 AromaticContact CE2-CE1 3.86Å; Y98-F243 HydrophobicContact CE2-CE1 3.86Å; Y98-F243 AromaticContact CZ-CD1 3.83Å; Y98-F243 WeakPolarHBondContact OH-CA 3.32Å; Y98-F243 WeakPolarHBondContact OH-CD1 3.35Å; Y98-N271 WeakPolarHBondContact CE2-OD1 3.35Å; Y98-N271 PolarHBondContact OH-ND2 3.42Å; Y98-N271 PolarHBondContact OH-OD1 3.39Å |
| 99 | Y | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -27.8 | -172.4 | 57.5 | -101.6 | 0 | 0 | 0 | 113.4 | F71 N74 T75 I96 G97 W101 L268 I270 | F71-Y99 AromaticContact CD2-CE2 3.95Å; F71-Y99 HydrophobicContact CD2-CE2 3.95Å; F71-Y99 AromaticContact CE2-CD2 3.87Å; F71-Y99 HydrophobicContact CE2-CD2 3.87Å; F71-Y99 AromaticContact CE2-CE2 3.75Å; F71-Y99 HydrophobicContact CE2-CE2 3.75Å; F71-Y99 HydrophobicContact CZ-CD2 4.48Å; N74-Y99 WeakPolarHBondContact CA-OH 3.1Å; T75-Y99 PolarHBondContact N-OH 2.61Å; T75-Y99 PolarHBondContact OG1-OH 3.48Å; I96-Y99 HydrophobicContact CG2-CD1 4.26Å; I96-Y99 HydrophobicContact CG2-CE1 4.46Å; I96-Y99 WeakPolarHBondContact O-CE1 3.28Å; G97-Y99 VanDerWaalsContact C-N 3.27Å; G97-Y99 PolarHBondContact O-N 3.49Å; Y99-W101 VanDerWaalsContact C-N 3.31Å; Y99-L268 HydrophobicContact CD1-CD2 3.51Å; Y99-L268 HydrophobicContact CD2-CD1 4.12Å; Y99-L268 HydrophobicContact CD2-CD2 4.3Å; Y99-L268 HydrophobicContact CE1-CD2 3.71Å; Y99-L268 HydrophobicContact CE2-CD1 4.1Å; Y99-L268 HydrophobicContact CG-CD1 4.44Å; Y99-L268 HydrophobicContact CG-CD2 3.82Å; Y99-I270 HydrophobicContact CD2-CG2 4.46Å |
| 100 | Q | 91.3 | Very high | 92 | Very high | 29 Ų | 29 | 48 Ų | 48 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.8 | -31.7 | 176.9 | -57.8 | 174 | -18.5 | 0 | 0 | 112.4 | Q44 F71 V72 N74 G97 Y98 | Q44-Q100 PolarHBondContact NE2-O 3.17Å; F71-Q100 HydrophobicContact CZ-CG 4.46Å; F71-Q100 PolarHBondContact O-NE2 3.19Å; V72-Q100 VanDerWaalsContact C-NE2 3.29Å; V72-Q100 PolarHBondContact O-NE2 3.4Å; N74-Q100 PolarHBondContact OD1-NE2 2.98Å; N74-Q100 VanDerWaalsContact OD1-NE2 3.1Å; N74-Q100 PolarHBondContact OD1-OE1 2.81Å; G97-Q100 PolarHBondContact O-N 3.36Å; Y98-Q100 PolarHBondContact O-N 3.49Å; Y98-Q100 VanDerWaalsContact O-N 3.07Å |
| 101 | W | 93.5 | Very high | 92.3 | Very high | 139 Ų | 139 | 50 Ų | 50 | 53% | 0.527 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -98.4 | -5.3 | -170.1 | -66.6 | 96.7 | 0 | 0 | 0 | 113.1 | Y98 Y99 I104 V105 F215 | Y98-W101 PolarHBondContact O-N 3.17Å; Y99-W101 VanDerWaalsContact C-N 3.31Å; W101-I104 HydrophobicContact CE3-CB 4.49Å; W101-I104 HydrophobicContact CE3-CD1 3.67Å; W101-I104 HydrophobicContact CZ3-CD1 3.76Å; W101-I104 PolarHBondContact O-N 2.89Å; W101-I104 VanDerWaalsContact O-N 3.14Å; W101-V105 HydrophobicContact CB-CG2 4.46Å; W101-V105 WeakPolarHBondContact O-CG2 2.91Å; W101-V105 PolarHBondContact O-N 3.32Å; W101-F215 HydrophobicContact CB-CE2 3.79Å; W101-F215 HydrophobicContact CB-CZ 4.09Å |
| 102 | V | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.7 | -50.5 | -175.8 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | V40 Y98 I104 V105 L106 F215 Y278 | V40-V102 HydrophobicContact CG1-CB 4.43Å; V40-V102 HydrophobicContact CG1-CG1 4.15Å; V40-V102 HydrophobicContact CG2-CG1 4.41Å; Y98-V102 HydrophobicContact CD2-CG2 4.25Å; Y98-V102 WeakPolarHBondContact O-CG2 3.3Å; Y98-V102 PolarHBondContact O-N 2.9Å; V102-I104 VanDerWaalsContact C-N 3.32Å; V102-I104 PolarHBondContact O-N 3.38Å; V102-V105 PolarHBondContact O-N 3Å; V102-L106 HydrophobicContact CG1-CD1 3.77Å; V102-L106 HydrophobicContact CG1-CG 4.19Å; V102-L106 WeakPolarHBondContact O-CB 3.44Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 3.25Å; V102-F215 HydrophobicContact CG2-CE1 3.9Å; V102-F215 HydrophobicContact CG2-CZ 3.93Å; V102-Y278 HydrophobicContact CG1-CE2 3.88Å; V102-Y278 HydrophobicContact CG2-CE2 3.95Å |
| 103 | P | 92.9 | Very high | 93 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | -178.7 | -20.5 | 31.5 | 0 | 0 | 0 | 113.6 | V40 S41 A107 | V40-P103 HydrophobicContact CB-CG 4.21Å; V40-P103 HydrophobicContact CG1-CG 3.8Å; S41-P103 WeakPolarHBondContact OG-CB 3.34Å; P103-A107 WeakPolarHBondContact O-CB 3.37Å; P103-A107 PolarHBondContact O-N 3Å |
| 104 | I | 93.4 | Very high | 93.3 | Very high | 71 Ų | 71 | 39.9 Ų | 39.9 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 179.8 | -63.8 | 171.8 | 0 | 0 | 0 | 109.5 | W101 V102 A107 I108 | W101-I104 HydrophobicContact CE3-CB 4.49Å; W101-I104 HydrophobicContact CE3-CD1 3.67Å; W101-I104 HydrophobicContact CZ3-CD1 3.76Å; W101-I104 PolarHBondContact O-N 2.89Å; W101-I104 VanDerWaalsContact O-N 3.14Å; V102-I104 VanDerWaalsContact C-N 3.32Å; V102-I104 PolarHBondContact O-N 3.38Å; I104-A107 PolarHBondContact O-N 3.5Å; I104-I108 HydrophobicContact CG2-CD1 3.94Å; I104-I108 WeakPolarHBondContact O-CG1 3.42Å; I104-I108 PolarHBondContact O-N 3.29Å |
| 105 | V | 95.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 12% | 0.121 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | 176.1 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | W101 V102 A107 I108 Q109 L211 F215 | W101-V105 HydrophobicContact CB-CG2 4.46Å; W101-V105 WeakPolarHBondContact O-CG2 2.91Å; W101-V105 PolarHBondContact O-N 3.32Å; V102-V105 PolarHBondContact O-N 3Å; V105-A107 VanDerWaalsContact C-N 3.25Å; V105-A107 PolarHBondContact O-N 3.31Å; V105-I108 PolarHBondContact O-N 2.77Å; V105-Q109 HydrophobicContact CG1-CG 4.17Å; V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.32Å; V105-Q109 PolarHBondContact O-N 2.74Å; V105-L211 HydrophobicContact CG1-CD2 3.61Å; V105-F215 HydrophobicContact CB-CE2 4.33Å; V105-F215 HydrophobicContact CB-CZ 4.34Å; V105-F215 HydrophobicContact CG2-CD2 3.8Å; V105-F215 HydrophobicContact CG2-CE2 3.5Å; V105-F215 VanDerWaalsContact CG2-CE2 3.5Å; V105-F215 HydrophobicContact CG2-CG 4.5Å; V105-F215 HydrophobicContact CG2-CZ 3.96Å |
| 106 | L | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.2 | -39.6 | 177.1 | -68.7 | 173 | 0 | 0 | 0 | 112.3 | L33 L36 A37 V40 V102 Q109 A110 I277 L281 | L33-L106 HydrophobicContact CD2-CD2 3.97Å; L36-L106 HydrophobicContact CB-CD1 4.09Å; A37-L106 HydrophobicContact CB-CB 3.78Å; V40-L106 HydrophobicContact CG2-CD1 4.35Å; V102-L106 HydrophobicContact CG1-CD1 3.77Å; V102-L106 HydrophobicContact CG1-CG 4.19Å; V102-L106 WeakPolarHBondContact O-CB 3.44Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 3.25Å; L106-Q109 PolarHBondContact O-N 3.4Å; L106-A110 PolarHBondContact O-N 2.97Å; L106-I277 HydrophobicContact CD1-CG2 4.48Å; L106-L281 HydrophobicContact CD2-CD1 3.46Å; L106-L281 VanDerWaalsContact CD2-CD1 3.46Å |
| 107 | A | 93.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 35% | 0.347 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P103 I104 V105 A110 L111 | P103-A107 WeakPolarHBondContact O-CB 3.37Å; P103-A107 PolarHBondContact O-N 3Å; I104-A107 PolarHBondContact O-N 3.5Å; V105-A107 VanDerWaalsContact C-N 3.25Å; V105-A107 PolarHBondContact O-N 3.31Å; A107-A110 WeakPolarHBondContact O-CB 3.44Å; A107-A110 PolarHBondContact O-N 3.33Å; A107-L111 PolarHBondContact O-N 3.19Å |
| 108 | I | 95.8 | Very high | 93.9 | Very high | 80 Ų | 80 | 38.6 Ų | 38.6 | 41% | 0.41 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 174.1 | -68.5 | 167.9 | 0 | 0 | 0 | 110.5 | I104 V105 A110 L111 L112 | I104-I108 HydrophobicContact CG2-CD1 3.94Å; I104-I108 WeakPolarHBondContact O-CG1 3.42Å; I104-I108 PolarHBondContact O-N 3.29Å; V105-I108 PolarHBondContact O-N 2.77Å; I108-A110 VanDerWaalsContact C-N 3.31Å; I108-A110 PolarHBondContact O-N 3.24Å; I108-L111 WeakPolarHBondContact O-CB 3.19Å; I108-L111 PolarHBondContact O-N 3.22Å; I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 HydrophobicContact CG2-CG 4.41Å; I108-L112 WeakPolarHBondContact O-CG 3.49Å; I108-L112 PolarHBondContact O-N 2.69Å |
| 109 | Q | 96.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 175.7 | -63.8 | -172.7 | -64.1 | 0 | 0 | 111 | L33 V105 L106 L111 L112 F113 L211 | L33-Q109 HydrophobicContact CD1-CB 3.9Å; L33-Q109 HydrophobicContact CD2-CB 4.31Å; V105-Q109 HydrophobicContact CG1-CG 4.17Å; V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.32Å; V105-Q109 PolarHBondContact O-N 2.74Å; L106-Q109 PolarHBondContact O-N 3.4Å; Q109-L111 VanDerWaalsContact C-N 3.35Å; Q109-L111 PolarHBondContact O-N 3.43Å; Q109-L112 PolarHBondContact O-N 3.39Å; Q109-F113 WeakPolarHBondContact O-CD2 3.5Å; Q109-F113 PolarHBondContact O-N 3.13Å; Q109-F113 VanDerWaalsContact O-N 3.09Å; Q109-L211 HydrophobicContact CG-CD1 4.36Å; Q109-L211 HydrophobicContact CG-CD2 4.14Å |
| 110 | A | 95.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T30 L33 L34 L106 A107 I108 L112 F113 Y114 | T30-A110 HydrophobicContact CG2-CB 4.21Å; L33-A110 HydrophobicContact CB-CB 3.75Å; L33-A110 HydrophobicContact CD1-CB 4.38Å; L34-A110 HydrophobicContact CD2-CB 3.94Å; L34-A110 HydrophobicContact CG-CB 3.9Å; L106-A110 PolarHBondContact O-N 2.97Å; A107-A110 WeakPolarHBondContact O-CB 3.44Å; A107-A110 PolarHBondContact O-N 3.33Å; I108-A110 VanDerWaalsContact C-N 3.31Å; I108-A110 PolarHBondContact O-N 3.24Å; A110-L112 VanDerWaalsContact C-N 3.34Å; A110-L112 PolarHBondContact O-N 2.96Å; A110-F113 PolarHBondContact O-N 3.32Å; A110-Y114 PolarHBondContact O-N 3.47Å; A110-Y114 VanDerWaalsContact O-N 3.16Å |
| 111 | L | 94.2 | Very high | 93.7 | Very high | 112 Ų | 112 | 41.5 Ų | 41.5 | 59% | 0.586 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -59 | -45.1 | 175.8 | -174.8 | 79.2 | 0 | 0 | 0 | 111.5 | A107 I108 Q109 F113 Y114 M115 | A107-L111 PolarHBondContact O-N 3.19Å; I108-L111 WeakPolarHBondContact O-CB 3.19Å; I108-L111 PolarHBondContact O-N 3.22Å; Q109-L111 VanDerWaalsContact C-N 3.35Å; Q109-L111 PolarHBondContact O-N 3.43Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-F113 PolarHBondContact O-N 3.14Å; L111-Y114 PolarHBondContact O-N 3.19Å; L111-Y114 VanDerWaalsContact O-N 3.15Å; L111-M115 PolarHBondContact O-N 3.2Å |
| 112 | L | 96.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 41 Ų | 41 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.5 | -34.3 | -179.5 | -69.4 | 172.1 | 0 | 0 | 0 | 112.6 | I108 Q109 A110 M115 P116 N204 L211 | I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 HydrophobicContact CG2-CG 4.41Å; I108-L112 WeakPolarHBondContact O-CG 3.49Å; I108-L112 PolarHBondContact O-N 2.69Å; Q109-L112 PolarHBondContact O-N 3.39Å; A110-L112 VanDerWaalsContact C-N 3.34Å; A110-L112 PolarHBondContact O-N 2.96Å; L112-M115 PolarHBondContact O-N 3.28Å; L112-P116 VanDerWaalsContact O-CD 3.24Å; L112-P116 WeakPolarHBondContact O-CD 3.47Å; L112-N204 WeakPolarHBondContact CB-OD1 3.2Å; L112-L211 HydrophobicContact CD1-CD1 4.32Å |
| 113 | F | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.1 | -33.2 | 171.8 | -88.1 | -76.6 | 0 | 0 | 0 | 113.9 | N25 Y26 T29 L33 Q109 A110 L111 N204 V205 Q208 M285 V288 | N25-F113 HydrophobicContact CB-CD1 4.12Å; Y26-F113 WeakPolarHBondContact CA-O 3.28Å; T29-F113 HydrophobicContact CG2-CD1 3.98Å; T29-F113 HydrophobicContact CG2-CD2 3.69Å; T29-F113 HydrophobicContact CG2-CE1 3.92Å; T29-F113 HydrophobicContact CG2-CE2 3.59Å; T29-F113 HydrophobicContact CG2-CG 3.89Å; T29-F113 HydrophobicContact CG2-CZ 3.74Å; L33-F113 HydrophobicContact CD1-CD2 3.59Å; L33-F113 HydrophobicContact CD1-CE2 3.98Å; Q109-F113 WeakPolarHBondContact O-CD2 3.5Å; Q109-F113 PolarHBondContact O-N 3.13Å; Q109-F113 VanDerWaalsContact O-N 3.09Å; A110-F113 PolarHBondContact O-N 3.32Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-F113 PolarHBondContact O-N 3.14Å; F113-N204 WeakPolarHBondContact CA-ND2 3.4Å; F113-N204 WeakPolarHBondContact CD1-ND2 3.37Å; F113-N204 WeakPolarHBondContact CE1-ND2 3.25Å; F113-N204 WeakPolarHBondContact CG-ND2 3.44Å; F113-V205 HydrophobicContact CE1-CG2 3.8Å; F113-V205 HydrophobicContact CZ-CG2 4.06Å; F113-Q208 HydrophobicContact CD2-CG 4.44Å; F113-Q208 HydrophobicContact CE2-CG 3.55Å; F113-Q208 HydrophobicContact CZ-CG 3.87Å; F113-M285 HydrophobicContact CE2-CE 3.53Å; F113-M285 HydrophobicContact CE2-SD 3.69Å; F113-M285 HydrophobicContact CZ-CE 3.92Å; F113-M285 HydrophobicContact CZ-SD 3.43Å; F113-M285 WeakPolarHBondContact CZ-SD 3.28Å; F113-V288 HydrophobicContact CE1-CG1 4.32Å |
| 114 | Y | 93.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 44 Ų | 44 | 13% | 0.129 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.9 | -24.2 | 176.3 | -173.8 | -112.2 | 0 | 0 | 0 | 113 | I12 Y26 A110 L111 N117 M118 K121 | I12-Y114 HydrophobicContact CG1-CD2 4.42Å; I12-Y114 HydrophobicContact CG1-CE2 4.26Å; Y26-Y114 HydrophobicContact CD2-CD2 4.39Å; A110-Y114 PolarHBondContact O-N 3.47Å; A110-Y114 VanDerWaalsContact O-N 3.16Å; L111-Y114 PolarHBondContact O-N 3.19Å; L111-Y114 VanDerWaalsContact O-N 3.15Å; Y114-N117 VanDerWaalsContact O-CB 3.32Å; Y114-N117 WeakPolarHBondContact O-CB 3.41Å; Y114-N117 PolarHBondContact O-N 2.72Å; Y114-M118 HydrophobicContact CD1-CG 3.52Å; Y114-M118 HydrophobicContact CD1-SD 3.5Å; Y114-M118 VanDerWaalsContact CD1-SD 3.5Å; Y114-M118 HydrophobicContact CE1-CG 3.21Å; Y114-M118 HydrophobicContact CE1-SD 3.41Å; Y114-M118 WeakPolarHBondContact CE1-SD 3.36Å; Y114-M118 HydrophobicContact CG-CG 4.44Å; Y114-M118 PolarHBondContact O-N 2.88Å; Y114-K121 PolarHBondContact OH-NZ 2.84Å |
| 115 | M | 93.9 | Very high | 92.2 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 49% | 0.488 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.3 | -49.8 | -173.7 | -179.1 | -172.8 | -178.5 | 0 | 0 | 114.3 | L111 L112 N117 M118 L119 | L111-M115 PolarHBondContact O-N 3.2Å; L112-M115 PolarHBondContact O-N 3.28Å; M115-N117 PolarHBondContact O-N 2.56Å; M115-M118 WeakPolarHBondContact O-CA 3.22Å; M115-M118 WeakPolarHBondContact O-CB 3.16Å; M115-M118 PolarHBondContact O-N 2.9Å; M115-L119 HydrophobicContact CE-CD1 4Å; M115-L119 HydrophobicContact CG-CD1 3.61Å; M115-L119 WeakPolarHBondContact O-CD1 3.41Å; M115-L119 PolarHBondContact O-N 3.24Å |
| 116 | P | 95 | Very high | 91.4 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -33.6 | -180 | -24.4 | 34.1 | 0 | 0 | 0 | 113.1 | L112 L119 W120 I197 L200 Y201 | L112-P116 VanDerWaalsContact O-CD 3.24Å; L112-P116 WeakPolarHBondContact O-CD 3.47Å; P116-L119 PolarHBondContact O-N 3.21Å; P116-W120 PolarHBondContact O-N 2.96Å; P116-I197 HydrophobicContact CB-CG2 4.13Å; P116-L200 HydrophobicContact CB-CB 4.07Å; P116-L200 HydrophobicContact CG-CB 4.15Å; P116-Y201 HydrophobicContact CB-CD1 3.82Å; P116-Y201 HydrophobicContact CB-CE1 3.59Å; P116-Y201 HydrophobicContact CB-CE2 4.46Å; P116-Y201 HydrophobicContact CB-CG 4.33Å; P116-Y201 HydrophobicContact CG-CD1 3.71Å; P116-Y201 HydrophobicContact CG-CE1 3.8Å; P116-Y201 HydrophobicContact CG-CG 4.45Å |
| 117 | N | 91.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 175.1 | -173.2 | 34.3 | 0 | 0 | 0 | 112.8 | Q15 Y26 Y114 M115 L119 W120 K121 Y201 | Q15-N117 VanDerWaalsContact NE2-CG 3.26Å; Q15-N117 PolarHBondContact NE2-ND2 3.08Å; Q15-N117 PolarHBondContact NE2-OD1 2.88Å; Q15-N117 PolarHBondContact OE1-OD1 3.31Å; Y26-N117 HydrophobicContact CD1-CB 4.43Å; Y26-N117 HydrophobicContact CD2-CB 4.29Å; Y26-N117 VanDerWaalsContact CD2-ND2 3.26Å; Y26-N117 WeakPolarHBondContact CD2-ND2 3.5Å; Y26-N117 HydrophobicContact CG-CB 3.9Å; Y114-N117 VanDerWaalsContact O-CB 3.32Å; Y114-N117 WeakPolarHBondContact O-CB 3.41Å; Y114-N117 PolarHBondContact O-N 2.72Å; M115-N117 PolarHBondContact O-N 2.56Å; N117-L119 VanDerWaalsContact C-N 3.33Å; N117-W120 PolarHBondContact O-N 3.16Å; N117-K121 PolarHBondContact O-N 2.88Å; N117-K121 VanDerWaalsContact O-N 3.09Å; N117-Y201 WeakPolarHBondContact CB-OH 3.45Å |
| 118 | M | 90.1 | Very high | 89.8 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 41% | 0.414 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 172.1 | -65.1 | -174.7 | 69.5 | 0 | 0 | 111 | Y114 M115 W120 K121 L122 | Y114-M118 HydrophobicContact CD1-CG 3.52Å; Y114-M118 HydrophobicContact CD1-SD 3.5Å; Y114-M118 VanDerWaalsContact CD1-SD 3.5Å; Y114-M118 HydrophobicContact CE1-CG 3.21Å; Y114-M118 HydrophobicContact CE1-SD 3.41Å; Y114-M118 WeakPolarHBondContact CE1-SD 3.36Å; Y114-M118 HydrophobicContact CG-CG 4.44Å; Y114-M118 PolarHBondContact O-N 2.88Å; M115-M118 WeakPolarHBondContact O-CA 3.22Å; M115-M118 WeakPolarHBondContact O-CB 3.16Å; M115-M118 PolarHBondContact O-N 2.9Å; M118-W120 VanDerWaalsContact C-N 3.34Å; M118-W120 PolarHBondContact O-N 3.09Å; M118-K121 PolarHBondContact O-N 2.95Å; M118-L122 VanDerWaalsContact O-CG 3.27Å; M118-L122 WeakPolarHBondContact O-CG 3.21Å; M118-L122 PolarHBondContact O-N 3.16Å |
| 119 | L | 91.9 | Very high | 89.1 | Confident | 48 Ų | 48 | 52 Ų | 52 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175.9 | -83.7 | 89.7 | 0 | 0 | 0 | 112 | M115 P116 N117 L122 L123 I197 L200 | M115-L119 HydrophobicContact CE-CD1 4Å; M115-L119 HydrophobicContact CG-CD1 3.61Å; M115-L119 WeakPolarHBondContact O-CD1 3.41Å; M115-L119 PolarHBondContact O-N 3.24Å; P116-L119 PolarHBondContact O-N 3.21Å; N117-L119 VanDerWaalsContact C-N 3.33Å; L119-L122 PolarHBondContact O-N 3.13Å; L119-L123 WeakPolarHBondContact O-CB 3.4Å; L119-L123 VanDerWaalsContact O-CG 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.64Å; L119-I197 HydrophobicContact CB-CD1 3.89Å; L119-L200 HydrophobicContact CD2-CD1 4.01Å |
| 120 | W | 91.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -52 | 174.2 | 174.4 | -99.7 | 0 | 0 | 0 | 111.6 | Y17 P116 N117 M118 L122 L123 N124 L190 L193 Y194 I197 | Y17-W120 AromaticContact CD2-CD1 3.93Å; Y17-W120 AromaticContact CD2-CE2 3.98Å; Y17-W120 HydrophobicContact CD2-CZ2 4.36Å; Y17-W120 AromaticContact CD2-NE1 3.2Å; Y17-W120 AromaticContact CE2-CD1 3.21Å; Y17-W120 HydrophobicContact CE2-CG 4.44Å; Y17-W120 AromaticContact CE2-NE1 2.86Å; Y17-W120 AromaticContact CZ-CD1 3.87Å; Y17-W120 AromaticContact CZ-NE1 3.55Å; P116-W120 PolarHBondContact O-N 2.96Å; N117-W120 PolarHBondContact O-N 3.16Å; M118-W120 VanDerWaalsContact C-N 3.34Å; M118-W120 PolarHBondContact O-N 3.09Å; W120-L122 VanDerWaalsContact C-N 3.27Å; W120-L122 PolarHBondContact O-N 2.8Å; W120-L123 PolarHBondContact O-N 2.04Å; W120-N124 HydrophobicContact CD2-CB 4.48Å; W120-N124 WeakPolarHBondContact CZ2-ND2 3.39Å; W120-N124 WeakPolarHBondContact O-CB 3.38Å; W120-N124 PolarHBondContact O-N 2.9Å; W120-L190 HydrophobicContact CH2-CD1 3.44Å; W120-L190 VanDerWaalsContact CH2-CD1 3.44Å; W120-L190 HydrophobicContact CH2-CG 4.21Å; W120-L190 HydrophobicContact CZ2-CD1 4.03Å; W120-L190 HydrophobicContact CZ3-CD1 4.17Å; W120-L193 HydrophobicContact CE3-CD2 3.95Å; W120-L193 HydrophobicContact CE3-CG 3.82Å; W120-L193 HydrophobicContact CZ3-CB 4.18Å; W120-L193 HydrophobicContact CZ3-CD2 3.89Å; W120-L193 HydrophobicContact CZ3-CG 3.76Å; W120-Y194 HydrophobicContact CE3-CD2 4.24Å; W120-Y194 AromaticContact CH2-CD2 3.79Å; W120-Y194 HydrophobicContact CH2-CD2 3.79Å; W120-Y194 HydrophobicContact CH2-CG 4.18Å; W120-Y194 HydrophobicContact CZ2-CD2 4.28Å; W120-Y194 VanDerWaalsContact CZ3-CA 3.44Å; W120-Y194 AromaticContact CZ3-CD2 3.81Å; W120-Y194 HydrophobicContact CZ3-CD2 3.81Å; W120-Y194 HydrophobicContact CZ3-CG 4.17Å; W120-I197 HydrophobicContact CB-CD1 4.31Å; W120-I197 HydrophobicContact CB-CG1 3.97Å; W120-I197 HydrophobicContact CB-CG2 4.35Å; W120-I197 HydrophobicContact CE3-CG1 3.91Å |
| 121 | K | 87.3 | Confident | 88 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.9 | -40.4 | 179.5 | -79 | 168.4 | 156.8 | 159.8 | 0 | 112.4 | Y114 N117 M118 | Y114-K121 PolarHBondContact OH-NZ 2.84Å; N117-K121 PolarHBondContact O-N 2.88Å; N117-K121 VanDerWaalsContact O-N 3.09Å; M118-K121 PolarHBondContact O-N 2.95Å |
| 122 | L | 88.1 | Confident | 87.6 | Confident | 129 Ų | 129 | 54.6 Ų | 54.6 | 68% | 0.675 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -71.3 | -39.2 | -179.5 | -69.5 | 169.9 | 0 | 0 | 0 | 112.6 | M118 L119 W120 | M118-L122 VanDerWaalsContact O-CG 3.27Å; M118-L122 WeakPolarHBondContact O-CG 3.21Å; M118-L122 PolarHBondContact O-N 3.16Å; L119-L122 PolarHBondContact O-N 3.13Å; W120-L122 VanDerWaalsContact C-N 3.27Å; W120-L122 PolarHBondContact O-N 2.8Å |
| 123 | L | 88.5 | Confident | 87.1 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -89.8 | -26.1 | -174.3 | -63.7 | 174.2 | 0 | 0 | 0 | 113.3 | L119 W120 W125 Q126 Y189 L193 | L119-L123 WeakPolarHBondContact O-CB 3.4Å; L119-L123 VanDerWaalsContact O-CG 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.64Å; W120-L123 PolarHBondContact O-N 2.04Å; L123-W125 PolarHBondContact O-N 2.86Å; L123-Q126 WeakPolarHBondContact O-CB 3.26Å; L123-Q126 PolarHBondContact O-N 2.86Å; L123-Y189 PolarHBondContact O-OH 3.32Å; L123-L193 HydrophobicContact CB-CD1 3.78Å; L123-L193 HydrophobicContact CB-CD2 3.78Å; L123-L193 HydrophobicContact CB-CG 4.43Å; L123-L193 HydrophobicContact CD1-CD1 3.69Å; L123-L193 HydrophobicContact CG-CD1 4.39Å |
| 124 | N | 84.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -35.5 | -176.2 | 179.4 | -108.3 | 0 | 0 | 0 | 113 | W120 Q126 S127 V131 L190 | W120-N124 HydrophobicContact CD2-CB 4.48Å; W120-N124 WeakPolarHBondContact CZ2-ND2 3.39Å; W120-N124 WeakPolarHBondContact O-CB 3.38Å; W120-N124 PolarHBondContact O-N 2.9Å; N124-Q126 PolarHBondContact O-N 3.02Å; N124-S127 VanDerWaalsContact O-CB 3.3Å; N124-S127 WeakPolarHBondContact O-CB 3.47Å; N124-S127 PolarHBondContact O-N 3.29Å; N124-S127 VanDerWaalsContact O-N 3.12Å; N124-S127 PolarHBondContact O-OG 3.41Å; N124-V131 WeakPolarHBondContact ND2-CG2 3.28Å; N124-L190 WeakPolarHBondContact ND2-CD1 3.45Å |
| 125 | W | 80.8 | Confident | 86.3 | Confident | 205 Ų | 205 | 51.8 Ų | 51.8 | 78% | 0.777 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -58 | -32 | 177.6 | 177.8 | -94.5 | 0 | 0 | 0 | 113.3 | L123 S127 G128 | L123-W125 PolarHBondContact O-N 2.86Å; W125-S127 PolarHBondContact O-N 2.91Å; W125-G128 PolarHBondContact O-N 3.33Å; W125-G128 VanDerWaalsContact O-N 3.14Å |
| 126 | Q | 78.9 | Confident | 85.8 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 51% | 0.514 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -68.2 | -16 | -179.5 | -63.2 | -176.9 | -4.8 | 0 | 0 | 113.7 | L123 N124 G128 R184 Y189 | L123-Q126 WeakPolarHBondContact O-CB 3.26Å; L123-Q126 PolarHBondContact O-N 2.86Å; N124-Q126 PolarHBondContact O-N 3.02Å; Q126-G128 PolarHBondContact O-N 3.33Å; Q126-R184 PolarHBondContact O-NH1 3.5Å; Q126-Y189 HydrophobicContact CB-CE1 4.32Å; Q126-Y189 WeakPolarHBondContact CB-OH 3.44Å; Q126-Y189 PolarHBondContact OE1-OH 3.44Å; Q126-Y189 VanDerWaalsContact OE1-OH 3.12Å |
| 127 | S | 78.1 | Confident | 85.3 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -63.5 | -26.7 | 173.8 | 69.9 | 0 | 0 | 0 | 0 | 112 | N124 W125 I129 | N124-S127 VanDerWaalsContact O-CB 3.3Å; N124-S127 WeakPolarHBondContact O-CB 3.47Å; N124-S127 PolarHBondContact O-N 3.29Å; N124-S127 VanDerWaalsContact O-N 3.12Å; N124-S127 PolarHBondContact O-OG 3.41Å; W125-S127 PolarHBondContact O-N 2.91Å; S127-I129 PolarHBondContact OG-N 3Å; S127-I129 VanDerWaalsContact OG-N 3.15Å; S127-I129 PolarHBondContact OG-O 2.8Å |
| 128 | G | 76.5 | Confident | 84.9 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 79.6 | -1.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W125 Q126 | W125-G128 PolarHBondContact O-N 3.33Å; W125-G128 VanDerWaalsContact O-N 3.14Å; Q126-G128 PolarHBondContact O-N 3.33Å |
| 129 | I | 81.1 | Confident | 84.3 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | trans | -100.9 | 124.5 | 176.3 | -61.3 | 159.9 | 0 | 0 | 0 | 108 | S127 V131 L190 L348 | S127-I129 PolarHBondContact OG-N 3Å; S127-I129 VanDerWaalsContact OG-N 3.15Å; S127-I129 PolarHBondContact OG-O 2.8Å; I129-V131 VanDerWaalsContact C-N 3.25Å; I129-V131 HydrophobicContact CB-CG2 4.33Å; I129-V131 HydrophobicContact CG2-CG2 3.91Å; I129-V131 PolarHBondContact O-N 3.42Å; I129-L190 HydrophobicContact CD1-CD2 4.42Å; I129-L348 HydrophobicContact CD1-CD1 4.23Å; I129-L348 HydrophobicContact CG2-CD1 4.03Å; I129-L348 HydrophobicContact CG2-CD2 4.2Å | ||
| 130 | N | 83.5 | Confident | 83.7 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | trans | -81.7 | 77.5 | 170.9 | -168.9 | -18 | 0 | 0 | 0 | 109.7 | K132 A133 V134 Y159 | N130-K132 PolarHBondContact O-N 3.38Å; N130-A133 HydrophobicContact CB-CB 4.06Å; N130-A133 VanDerWaalsContact CG-CB 3.48Å; N130-A133 PolarHBondContact O-N 2.86Å; N130-A133 VanDerWaalsContact O-N 3.1Å; N130-A133 PolarHBondContact OD1-N 3.2Å; N130-A133 VanDerWaalsContact OD1-N 3.13Å; N130-V134 WeakPolarHBondContact O-CG2 3.27Å; N130-V134 PolarHBondContact O-N 3.48Å; N130-V134 VanDerWaalsContact O-N 3.14Å; N130-Y159 PolarHBondContact N-OH 3.3Å | ||
| 131 | V | 85.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.5 | -39 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | Y17 N124 I129 V134 L135 L190 L348 F351 | Y17-V131 HydrophobicContact CD1-CG1 4.2Å; Y17-V131 HydrophobicContact CG-CG1 4.35Å; N124-V131 WeakPolarHBondContact ND2-CG2 3.28Å; I129-V131 VanDerWaalsContact C-N 3.25Å; I129-V131 HydrophobicContact CB-CG2 4.33Å; I129-V131 HydrophobicContact CG2-CG2 3.91Å; I129-V131 PolarHBondContact O-N 3.42Å; V131-V134 PolarHBondContact O-N 2.84Å; V131-L135 HydrophobicContact CG1-CD1 3.55Å; V131-L135 VanDerWaalsContact O-CD1 3.31Å; V131-L135 WeakPolarHBondContact O-CD1 3.08Å; V131-L135 WeakPolarHBondContact O-CG 3.11Å; V131-L135 PolarHBondContact O-N 3.17Å; V131-L135 VanDerWaalsContact O-N 3.14Å; V131-L190 HydrophobicContact CG2-CD1 4.19Å; V131-L190 HydrophobicContact CG2-CD2 3.89Å; V131-L348 HydrophobicContact CB-CD2 4.45Å; V131-L348 HydrophobicContact CG1-CD2 4.02Å; V131-L348 HydrophobicContact CG2-CD2 4Å; V131-F351 HydrophobicContact CG1-CD2 4.21Å |
| 132 | K | 86 | Confident | 82 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 177.6 | -177.7 | 179.3 | 171.1 | -178 | 0 | 111.7 | Y17 N130 V134 L135 E136 | Y17-K132 HydrophobicContact CE1-CB 4.44Å; N130-K132 PolarHBondContact O-N 3.38Å; K132-V134 VanDerWaalsContact C-N 3.34Å; K132-V134 PolarHBondContact O-N 3.32Å; K132-L135 PolarHBondContact O-N 3.14Å; K132-E136 WeakPolarHBondContact CE-OE1 3.47Å; K132-E136 HydrophobicContact CG-CG 4.45Å; K132-E136 IonicContact NZ-OE1 3.39Å; K132-E136 WeakPolarHBondContact O-CG 3.29Å; K132-E136 PolarHBondContact O-N 3.41Å |
| 133 | A | 85.5 | Confident | 80.8 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 22% | 0.223 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N130 L135 E136 M137 | N130-A133 HydrophobicContact CB-CB 4.06Å; N130-A133 VanDerWaalsContact CG-CB 3.48Å; N130-A133 PolarHBondContact O-N 2.86Å; N130-A133 VanDerWaalsContact O-N 3.1Å; N130-A133 PolarHBondContact OD1-N 3.2Å; N130-A133 VanDerWaalsContact OD1-N 3.13Å; A133-L135 VanDerWaalsContact C-N 3.35Å; A133-L135 PolarHBondContact O-N 2.87Å; A133-E136 PolarHBondContact O-N 2.97Å; A133-M137 WeakPolarHBondContact O-CB 3.3Å; A133-M137 PolarHBondContact O-N 3.17Å |
| 134 | V | 87 | Confident | 79.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | N130 V131 K132 M137 A138 L156 Y159 L160 I352 | N130-V134 WeakPolarHBondContact O-CG2 3.27Å; N130-V134 PolarHBondContact O-N 3.48Å; N130-V134 VanDerWaalsContact O-N 3.14Å; V131-V134 PolarHBondContact O-N 2.84Å; K132-V134 VanDerWaalsContact C-N 3.34Å; K132-V134 PolarHBondContact O-N 3.32Å; V134-M137 PolarHBondContact O-N 3.14Å; V134-A138 WeakPolarHBondContact O-CB 3.32Å; V134-A138 PolarHBondContact O-N 3.05Å; V134-L156 HydrophobicContact CG1-CD1 3.94Å; V134-Y159 HydrophobicContact CG2-CD1 3.67Å; V134-Y159 HydrophobicContact CG2-CE1 3.22Å; V134-L160 HydrophobicContact CG1-CD2 4.15Å; V134-I352 HydrophobicContact CG1-CD1 4.05Å |
| 135 | L | 85.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.6 | -32.4 | -176.3 | -68.1 | 159.4 | 0 | 0 | 0 | 112.4 | Y16 Y17 V131 K132 A133 T139 F351 I352 | Y16-L135 VanDerWaalsContact O-CD1 3.27Å; Y16-L135 WeakPolarHBondContact O-CD1 3.4Å; Y17-L135 HydrophobicContact CD1-CD1 4.26Å; Y17-L135 HydrophobicContact CG-CD1 4.44Å; V131-L135 HydrophobicContact CG1-CD1 3.55Å; V131-L135 VanDerWaalsContact O-CD1 3.31Å; V131-L135 WeakPolarHBondContact O-CD1 3.08Å; V131-L135 WeakPolarHBondContact O-CG 3.11Å; V131-L135 PolarHBondContact O-N 3.17Å; V131-L135 VanDerWaalsContact O-N 3.14Å; K132-L135 PolarHBondContact O-N 3.14Å; A133-L135 VanDerWaalsContact C-N 3.35Å; A133-L135 PolarHBondContact O-N 2.87Å; L135-T139 WeakPolarHBondContact O-CB 3.18Å; L135-T139 PolarHBondContact O-N 2.97Å; L135-T139 PolarHBondContact O-OG1 3.21Å; L135-F351 HydrophobicContact CD1-CB 4Å; L135-F351 HydrophobicContact CD2-CB 3.74Å; L135-F351 HydrophobicContact CG-CB 4.5Å; L135-I352 HydrophobicContact CD2-CB 4.34Å; L135-I352 HydrophobicContact CD2-CG1 3.66Å |
| 136 | E | 84.2 | Confident | 78.3 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 170.7 | -74.8 | 175.8 | 170.9 | 0 | 0 | 111.4 | Y16 K132 A133 T139 T140 | Y16-E136 HydrophobicContact CD2-CG 4.18Å; Y16-E136 HydrophobicContact CE2-CG 4.04Å; K132-E136 WeakPolarHBondContact CE-OE1 3.47Å; K132-E136 HydrophobicContact CG-CG 4.45Å; K132-E136 IonicContact NZ-OE1 3.39Å; K132-E136 WeakPolarHBondContact O-CG 3.29Å; K132-E136 PolarHBondContact O-N 3.41Å; A133-E136 PolarHBondContact O-N 2.97Å; E136-T139 PolarHBondContact O-N 2.89Å; E136-T140 WeakPolarHBondContact O-CB 3.44Å; E136-T140 VanDerWaalsContact O-CG2 3.31Å; E136-T140 WeakPolarHBondContact O-CG2 3.2Å; E136-T140 PolarHBondContact O-N 3.12Å; E136-T140 PolarHBondContact O-OG1 2.91Å |
| 137 | M | 83.5 | Confident | 78 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.4 | -83.1 | -171.8 | -75.5 | 0 | 0 | 112.4 | A133 V134 T139 T140 A141 L156 | A133-M137 WeakPolarHBondContact O-CB 3.3Å; A133-M137 PolarHBondContact O-N 3.17Å; V134-M137 PolarHBondContact O-N 3.14Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 3.22Å; M137-T140 WeakPolarHBondContact CA-OG1 3.38Å; M137-T140 PolarHBondContact O-N 3.49Å; M137-T140 PolarHBondContact O-OG1 3.11Å; M137-T140 VanDerWaalsContact O-OG1 3.14Å; M137-A141 PolarHBondContact O-N 2.82Å; M137-L156 HydrophobicContact CB-CD1 4.38Å |
| 138 | A | 83 | Confident | 77.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V134 A141 L156 I352 S356 L360 | V134-A138 WeakPolarHBondContact O-CB 3.32Å; V134-A138 PolarHBondContact O-N 3.05Å; A138-A141 WeakPolarHBondContact O-CB 3.24Å; A138-A141 PolarHBondContact O-N 2.9Å; A138-L156 HydrophobicContact CB-CD2 3.85Å; A138-I352 HydrophobicContact CB-CG1 4.19Å; A138-I352 HydrophobicContact CB-CG2 3.98Å; A138-S356 VanDerWaalsContact C-OG 3.29Å; A138-S356 WeakPolarHBondContact CB-OG 3.43Å; A138-S356 PolarHBondContact O-OG 2.78Å; A138-L360 HydrophobicContact CB-CD2 3.95Å; A138-L360 WeakPolarHBondContact O-CD2 3.44Å |
| 139 | T | 78.6 | Confident | 77.9 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.7 | -30.2 | 177.4 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | L135 E136 M137 H142 S356 | L135-T139 WeakPolarHBondContact O-CB 3.18Å; L135-T139 PolarHBondContact O-N 2.97Å; L135-T139 PolarHBondContact O-OG1 3.21Å; E136-T139 PolarHBondContact O-N 2.89Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 3.22Å; T139-H142 PolarHBondContact O-CE1 2.92Å; T139-H142 PolarHBondContact O-ND1 3.29Å; T139-S356 PolarHBondContact N-OG 3.39Å |
| 140 | T | 79.1 | Confident | 77.8 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -83 | -16 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | E136 M137 H142 L143 F144 | E136-T140 WeakPolarHBondContact O-CB 3.44Å; E136-T140 VanDerWaalsContact O-CG2 3.31Å; E136-T140 WeakPolarHBondContact O-CG2 3.2Å; E136-T140 PolarHBondContact O-N 3.12Å; E136-T140 PolarHBondContact O-OG1 2.91Å; M137-T140 WeakPolarHBondContact CA-OG1 3.38Å; M137-T140 PolarHBondContact O-N 3.49Å; M137-T140 PolarHBondContact O-OG1 3.11Å; M137-T140 VanDerWaalsContact O-OG1 3.14Å; T140-H142 PolarHBondContact O-N 3.43Å; T140-L143 WeakPolarHBondContact O-CB 3.47Å; T140-L143 PolarHBondContact O-N 2.98Å; T140-F144 WeakPolarHBondContact O-CD2 3.39Å; T140-F144 WeakPolarHBondContact O-CE2 3.03Å |
| 141 | A | 74.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -55 | -30.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M137 A138 L143 R149 T152 L360 | M137-A141 PolarHBondContact O-N 2.82Å; A138-A141 WeakPolarHBondContact O-CB 3.24Å; A138-A141 PolarHBondContact O-N 2.9Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 2.84Å; A141-R149 WeakPolarHBondContact O-CG 3.26Å; A141-T152 HydrophobicContact CB-CG2 4.31Å; A141-L360 HydrophobicContact CB-CD1 4.16Å; A141-L360 HydrophobicContact CB-CD2 4.25Å |
| 142 | H | 67.7 | Low | 77.6 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -78.7 | -11 | -179.7 | 64.9 | -87.9 | 0 | 0 | 0 | 114.4 | T139 T140 | T139-H142 PolarHBondContact O-CE1 2.92Å; T139-H142 PolarHBondContact O-ND1 3.29Å; T140-H142 PolarHBondContact O-N 3.43Å |
| 143 | L | 63.4 | Low | 77.5 | Confident | 121 Ų | 121 | 60.1 Ų | 60.1 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -89.6 | -9.6 | 179.5 | -58.2 | 175.9 | 0 | 0 | 0 | 112.6 | T140 A141 | T140-L143 WeakPolarHBondContact O-CB 3.47Å; T140-L143 PolarHBondContact O-N 2.98Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 2.84Å |
| 144 | F | 70.6 | Confident | 77.6 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 38% | 0.382 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -91.1 | 149.2 | -179.1 | -58.8 | -63.1 | 0 | 0 | 0 | 112.3 | T140 K148 R149 T152 | T140-F144 WeakPolarHBondContact O-CD2 3.39Å; T140-F144 WeakPolarHBondContact O-CE2 3.03Å; F144-K148 HydrophobicContact CB-CB 3.94Å; F144-R149 HydrophobicContact CB-CB 4.25Å; F144-T152 HydrophobicContact CD2-CG2 4.41Å; F144-T152 HydrophobicContact CE2-CG2 4.22Å |
| 145 | E | 67.6 | Low | 77.6 | Confident | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 34% | 0.337 | S | S | * | . | trans | -53.7 | 151.1 | 168.6 | -65.8 | 163.2 | 168.2 | 0 | 0 | 111.7 | N147 K148 R149 | E145-N147 VanDerWaalsContact C-N 3.33Å; E145-N147 PolarHBondContact O-N 3.07Å; E145-N147 VanDerWaalsContact O-N 3.1Å; E145-K148 CarbonylContact O-C 3.56Å; E145-K148 WeakPolarHBondContact O-CA 3.27Å; E145-K148 PolarHBondContact O-N 3.38Å; E145-K148 IonicContact OE2-NZ 3.67Å; E145-K148 PolarHBondContact OE2-NZ 3.3Å; E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 2.97Å | ||
| 146 | T | 64.6 | Low | 77.7 | Confident | 60 Ų | 60 | 68 Ų | 68 | 37% | 0.368 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -44.5 | -49 | -173.8 | -49.6 | 0 | 0 | 0 | 0 | 114.7 | R149 Q150 H595 | T146-R149 PolarHBondContact O-N 3.32Å; T146-Q150 WeakPolarHBondContact O-CG 3.32Å; T146-Q150 PolarHBondContact O-N 2.77Å; T146-H595 PolarHBondContact OG1-CE1 3.48Å; T146-H595 VanDerWaalsContact OG1-CE1 3.29Å; T146-H595 PolarHBondContact OG1-NE2 2.93Å |
| 147 | N | 71.8 | Confident | 77.9 | Confident | 121 Ų | 121 | 64.6 Ų | 64.6 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.8 | -43.3 | -179.9 | -70.3 | -28.2 | 0 | 0 | 0 | 112.2 | E145 Q150 N151 | E145-N147 VanDerWaalsContact C-N 3.33Å; E145-N147 PolarHBondContact O-N 3.07Å; E145-N147 VanDerWaalsContact O-N 3.1Å; N147-Q150 PolarHBondContact O-N 2.74Å; N147-N151 PolarHBondContact O-N 3.35Å; N147-N151 VanDerWaalsContact O-N 3.13Å |
| 148 | K | 74.6 | Confident | 78.1 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 176.6 | -73 | 176 | -175.7 | 142.1 | 0 | 111 | F144 E145 N151 T152 | F144-K148 HydrophobicContact CB-CB 3.94Å; E145-K148 CarbonylContact O-C 3.56Å; E145-K148 WeakPolarHBondContact O-CA 3.27Å; E145-K148 PolarHBondContact O-N 3.38Å; E145-K148 IonicContact OE2-NZ 3.67Å; E145-K148 PolarHBondContact OE2-NZ 3.3Å; K148-N151 PolarHBondContact O-N 3.36Å; K148-T152 PolarHBondContact O-N 3.48Å; K148-T152 PolarHBondContact O-OG1 2.89Å |
| 149 | R | 77.3 | Confident | 78.3 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 174.6 | 174.6 | 179.3 | 178.6 | -78.5 | 3.1 | 111.4 | A141 F144 E145 T146 N151 T152 I153 E363 | A141-R149 WeakPolarHBondContact O-CG 3.26Å; F144-R149 HydrophobicContact CB-CB 4.25Å; E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 2.97Å; T146-R149 PolarHBondContact O-N 3.32Å; R149-N151 VanDerWaalsContact C-N 3.31Å; R149-N151 PolarHBondContact O-N 3.1Å; R149-T152 PolarHBondContact O-N 2.72Å; R149-I153 HydrophobicContact CG-CD1 3.96Å; R149-I153 WeakPolarHBondContact O-CG1 3.46Å; R149-I153 PolarHBondContact O-N 2.88Å; R149-E363 IonicContact CZ-OE1 3.21Å; R149-E363 IonicContact CZ-OE2 3.7Å; R149-E363 IonicContact NH1-OE1 2.68Å; R149-E363 IonicContact NH1-OE2 3.42Å; R149-E363 PolarHBondContact NH1-OE2 3.08Å; R149-E363 IonicContact NH2-OE1 3.83Å; R149-E363 PolarHBondContact NH2-OE1 3.32Å; R149-E363 IonicContact NH2-OE2 2.86Å; R149-E363 PolarHBondContact NH2-OE2 3.04Å |
| 150 | Q | 78.8 | Confident | 78.7 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.8 | -76 | 179 | -1.2 | 0 | 0 | 112 | T146 N147 I153 K154 | T146-Q150 WeakPolarHBondContact O-CG 3.32Å; T146-Q150 PolarHBondContact O-N 2.77Å; N147-Q150 PolarHBondContact O-N 2.74Å; Q150-I153 PolarHBondContact O-N 3.47Å; Q150-K154 WeakPolarHBondContact O-CG 3.38Å; Q150-K154 PolarHBondContact O-N 2.91Å |
| 151 | N | 83.2 | Confident | 79.1 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.4 | -72.1 | -18.1 | 0 | 0 | 0 | 112.2 | N147 K148 R149 K154 N155 | N147-N151 PolarHBondContact O-N 3.35Å; N147-N151 VanDerWaalsContact O-N 3.13Å; K148-N151 PolarHBondContact O-N 3.36Å; R149-N151 VanDerWaalsContact C-N 3.31Å; R149-N151 PolarHBondContact O-N 3.1Å; N151-K154 PolarHBondContact O-N 2.82Å; N151-N155 WeakPolarHBondContact O-CB 3.4Å; N151-N155 PolarHBondContact O-N 3.43Å; N151-N155 PolarHBondContact O-ND2 2.96Å |
| 152 | T | 82.6 | Confident | 79.6 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | A141 F144 K148 R149 N155 L156 | A141-T152 HydrophobicContact CB-CG2 4.31Å; F144-T152 HydrophobicContact CD2-CG2 4.41Å; F144-T152 HydrophobicContact CE2-CG2 4.22Å; K148-T152 PolarHBondContact O-N 3.48Å; K148-T152 PolarHBondContact O-OG1 2.89Å; R149-T152 PolarHBondContact O-N 2.72Å; T152-N155 PolarHBondContact O-N 3.48Å; T152-L156 VanDerWaalsContact O-CB 3.32Å; T152-L156 WeakPolarHBondContact O-CB 3.26Å; T152-L156 PolarHBondContact O-N 3.46Å |
| 153 | I | 84.6 | Confident | 80.3 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175.6 | -70.2 | 171 | 0 | 0 | 0 | 110.4 | R149 Q150 N155 L156 C157 L360 E363 L364 | R149-I153 HydrophobicContact CG-CD1 3.96Å; R149-I153 WeakPolarHBondContact O-CG1 3.46Å; R149-I153 PolarHBondContact O-N 2.88Å; Q150-I153 PolarHBondContact O-N 3.47Å; I153-N155 PolarHBondContact O-N 3.43Å; I153-L156 WeakPolarHBondContact O-CB 3.46Å; I153-L156 PolarHBondContact O-N 3.07Å; I153-C157 PolarHBondContact O-N 3.26Å; I153-C157 PolarHBondContact O-SG 2.82Å; I153-C157 VanDerWaalsContact O-SG 3.38Å; I153-L360 HydrophobicContact CD1-CD1 3.79Å; I153-L360 HydrophobicContact CG1-CD1 3.91Å; I153-E363 WeakPolarHBondContact CD1-OE2 3.48Å; I153-L364 HydrophobicContact CG2-CD2 3.79Å; I153-L364 HydrophobicContact CG2-CG 4.48Å |
| 154 | K | 86.7 | Confident | 81.1 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 176.2 | -74.4 | 176.6 | -179.9 | 177.9 | 0 | 112.4 | Q150 N151 L156 C157 R158 | Q150-K154 WeakPolarHBondContact O-CG 3.38Å; Q150-K154 PolarHBondContact O-N 2.91Å; N151-K154 PolarHBondContact O-N 2.82Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-C157 PolarHBondContact O-N 2.74Å; K154-R158 WeakPolarHBondContact O-CG 3.36Å; K154-R158 PolarHBondContact O-N 3.46Å |
| 155 | N | 87.5 | Confident | 81.5 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.7 | -70.1 | -13.5 | 0 | 0 | 0 | 111.6 | N151 T152 I153 Y159 | N151-N155 WeakPolarHBondContact O-CB 3.4Å; N151-N155 PolarHBondContact O-N 3.43Å; N151-N155 PolarHBondContact O-ND2 2.96Å; T152-N155 PolarHBondContact O-N 3.48Å; I153-N155 PolarHBondContact O-N 3.43Å; N155-Y159 WeakPolarHBondContact O-CB 3.35Å; N155-Y159 PolarHBondContact O-N 3.31Å |
| 156 | L | 88.2 | Confident | 82 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 175.6 | -173.9 | 61.2 | 0 | 0 | 0 | 111.7 | V134 M137 A138 T152 I153 K154 Y159 L160 L364 | V134-L156 HydrophobicContact CG1-CD1 3.94Å; M137-L156 HydrophobicContact CB-CD1 4.38Å; A138-L156 HydrophobicContact CB-CD2 3.85Å; T152-L156 VanDerWaalsContact O-CB 3.32Å; T152-L156 WeakPolarHBondContact O-CB 3.26Å; T152-L156 PolarHBondContact O-N 3.46Å; I153-L156 WeakPolarHBondContact O-CB 3.46Å; I153-L156 PolarHBondContact O-N 3.07Å; K154-L156 VanDerWaalsContact C-N 3.32Å; L156-Y159 PolarHBondContact O-N 2.64Å; L156-L160 HydrophobicContact CG-CD1 4.43Å; L156-L160 WeakPolarHBondContact O-CB 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.31Å; L156-L160 PolarHBondContact O-N 2.89Å; L156-L364 HydrophobicContact CB-CD2 4.26Å; L156-L364 HydrophobicContact CD2-CD1 3.8Å; L156-L364 HydrophobicContact CD2-CD2 3.8Å; L156-L364 HydrophobicContact CD2-CG 4.47Å; L156-L364 HydrophobicContact CG-CD2 4.11Å |
| 157 | C | 88.2 | Confident | 82.3 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -51.4 | 173.6 | -72.5 | 0 | 0 | 0 | 0 | 111.3 | I153 K154 Y159 L160 E161 L364 L368 | I153-C157 PolarHBondContact O-N 3.26Å; I153-C157 PolarHBondContact O-SG 2.82Å; I153-C157 VanDerWaalsContact O-SG 3.38Å; K154-C157 PolarHBondContact O-N 2.74Å; C157-Y159 VanDerWaalsContact C-N 3.33Å; C157-Y159 PolarHBondContact O-N 2.78Å; C157-L160 PolarHBondContact O-N 2.89Å; C157-L160 VanDerWaalsContact O-N 3.14Å; C157-E161 WeakPolarHBondContact O-CG 3.23Å; C157-E161 PolarHBondContact O-N 2.82Å; C157-L364 VanDerWaalsContact SG-CD2 3.6Å; C157-L368 HydrophobicContact CB-CD2 3.91Å; C157-L368 HydrophobicContact CB-CG 4.41Å |
| 158 | R | 88.3 | Confident | 82.2 | Confident | 138 Ų | 138 | 55.2 Ų | 55.2 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 177.6 | -71.5 | 176.7 | -175.6 | 148.4 | -4.1 | 112.4 | K154 L160 E161 D162 | K154-R158 WeakPolarHBondContact O-CG 3.36Å; K154-R158 PolarHBondContact O-N 3.46Å; R158-L160 PolarHBondContact O-N 3.25Å; R158-E161 PolarHBondContact O-N 3.41Å; R158-D162 VanDerWaalsContact O-CG 3.28Å; R158-D162 PolarHBondContact O-N 3.27Å |
| 159 | Y | 87.3 | Confident | 81.9 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.2 | 179.3 | -89.7 | 0 | 0 | 0 | 112.4 | N130 V134 N155 L156 C157 E161 T163 | N130-Y159 PolarHBondContact N-OH 3.3Å; V134-Y159 HydrophobicContact CG2-CD1 3.67Å; V134-Y159 HydrophobicContact CG2-CE1 3.22Å; N155-Y159 WeakPolarHBondContact O-CB 3.35Å; N155-Y159 PolarHBondContact O-N 3.31Å; L156-Y159 PolarHBondContact O-N 2.64Å; C157-Y159 VanDerWaalsContact C-N 3.33Å; C157-Y159 PolarHBondContact O-N 2.78Å; Y159-E161 VanDerWaalsContact C-N 3.35Å; Y159-T163 HydrophobicContact CD1-CG2 4.2Å; Y159-T163 HydrophobicContact CE1-CG2 3.69Å; Y159-T163 HydrophobicContact CE2-CG2 4.09Å; Y159-T163 WeakPolarHBondContact O-CB 2.95Å; Y159-T163 WeakPolarHBondContact O-CG2 3.17Å; Y159-T163 PolarHBondContact O-N 2.82Å; Y159-T163 PolarHBondContact O-OG1 2.03Å |
| 160 | L | 86.7 | Confident | 81.3 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.1 | -75.7 | 171.9 | 0 | 0 | 0 | 111 | V134 L156 C157 R158 T163 L164 L348 L349 I352 L368 | V134-L160 HydrophobicContact CG1-CD2 4.15Å; L156-L160 HydrophobicContact CG-CD1 4.43Å; L156-L160 WeakPolarHBondContact O-CB 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.31Å; L156-L160 PolarHBondContact O-N 2.89Å; C157-L160 PolarHBondContact O-N 2.89Å; C157-L160 VanDerWaalsContact O-N 3.14Å; R158-L160 PolarHBondContact O-N 3.25Å; L160-T163 WeakPolarHBondContact CA-OG1 3.49Å; L160-T163 PolarHBondContact O-N 2.9Å; L160-T163 PolarHBondContact O-OG1 3.46Å; L160-L164 VanDerWaalsContact O-CB 3.3Å; L160-L164 WeakPolarHBondContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CD1 3.46Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.12Å; L160-L348 HydrophobicContact CD2-CB 4.48Å; L160-L348 HydrophobicContact CD2-CD1 3.77Å; L160-L349 HydrophobicContact CD1-CD2 4.5Å; L160-I352 HydrophobicContact CD1-CD1 4.33Å; L160-L368 HydrophobicContact CD1-CD1 4.32Å |
| 161 | E | 86.2 | Confident | 80.1 | Confident | 23 Ų | 23 | 60 Ų | 60 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 177.7 | -69.8 | 175.4 | 165.6 | 0 | 0 | 112.6 | C157 R158 Y159 T163 L164 A165 L368 D371 R375 | C157-E161 WeakPolarHBondContact O-CG 3.23Å; C157-E161 PolarHBondContact O-N 2.82Å; R158-E161 PolarHBondContact O-N 3.41Å; Y159-E161 VanDerWaalsContact C-N 3.35Å; E161-T163 VanDerWaalsContact C-N 3.31Å; E161-T163 PolarHBondContact O-N 2.9Å; E161-L164 PolarHBondContact O-N 3.05Å; E161-A165 VanDerWaalsContact O-CB 3.24Å; E161-A165 WeakPolarHBondContact O-CB 3.43Å; E161-A165 PolarHBondContact O-N 3.12Å; E161-L368 HydrophobicContact CG-CD2 3.57Å; E161-D371 WeakPolarHBondContact OE1-CB 3.44Å; E161-R375 IonicContact OE1-NH1 3.66Å; E161-R375 IonicContact OE2-CZ 3.14Å; E161-R375 IonicContact OE2-NH1 2.79Å; E161-R375 PolarHBondContact OE2-NH1 2.87Å; E161-R375 IonicContact OE2-NH2 2.68Å; E161-R375 PolarHBondContact OE2-NH2 3.18Å |
| 162 | D | 85.6 | Confident | 78.6 | Confident | 103 Ų | 103 | 59.2 Ų | 59.2 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.2 | -44.1 | 179 | -70 | -19.5 | 0 | 0 | 0 | 110.8 | R158 A165 L166 | R158-D162 VanDerWaalsContact O-CG 3.28Å; R158-D162 PolarHBondContact O-N 3.27Å; D162-A165 PolarHBondContact O-N 3.37Å; D162-L166 WeakPolarHBondContact O-CB 3.18Å; D162-L166 VanDerWaalsContact O-CG 3.23Å; D162-L166 WeakPolarHBondContact O-CG 3.23Å; D162-L166 PolarHBondContact O-N 3.28Å |
| 163 | T | 82.1 | Confident | 76.9 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 179 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | Y159 L160 E161 L166 Q167 | Y159-T163 HydrophobicContact CD1-CG2 4.2Å; Y159-T163 HydrophobicContact CE1-CG2 3.69Å; Y159-T163 HydrophobicContact CE2-CG2 4.09Å; Y159-T163 WeakPolarHBondContact O-CB 2.95Å; Y159-T163 WeakPolarHBondContact O-CG2 3.17Å; Y159-T163 PolarHBondContact O-N 2.82Å; Y159-T163 PolarHBondContact O-OG1 2.03Å; L160-T163 WeakPolarHBondContact CA-OG1 3.49Å; L160-T163 PolarHBondContact O-N 2.9Å; L160-T163 PolarHBondContact O-OG1 3.46Å; E161-T163 VanDerWaalsContact C-N 3.31Å; E161-T163 PolarHBondContact O-N 2.9Å; T163-L166 PolarHBondContact O-N 2.86Å; T163-Q167 WeakPolarHBondContact O-CG 3.33Å; T163-Q167 PolarHBondContact O-N 3.49Å |
| 164 | L | 80.9 | Confident | 74.8 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 177.2 | -67 | 171.2 | 0 | 0 | 0 | 112 | L160 E161 Q167 A168 L341 | L160-L164 VanDerWaalsContact O-CB 3.3Å; L160-L164 WeakPolarHBondContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CD1 3.46Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.12Å; E161-L164 PolarHBondContact O-N 3.05Å; L164-Q167 WeakPolarHBondContact O-CB 3.31Å; L164-Q167 PolarHBondContact O-N 3.22Å; L164-Q167 VanDerWaalsContact O-N 3.15Å; L164-A168 PolarHBondContact O-N 3.34Å; L164-L341 HydrophobicContact CD1-CD1 3.89Å; L164-L341 WeakPolarHBondContact CD2-O 3.5Å |
| 165 | A | 78.8 | Confident | 72.7 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 49% | 0.488 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E161 D162 Q167 A168 D169 | E161-A165 VanDerWaalsContact O-CB 3.24Å; E161-A165 WeakPolarHBondContact O-CB 3.43Å; E161-A165 PolarHBondContact O-N 3.12Å; D162-A165 PolarHBondContact O-N 3.37Å; A165-Q167 PolarHBondContact O-N 2.91Å; A165-A168 WeakPolarHBondContact O-CB 3.44Å; A165-A168 PolarHBondContact O-N 2.91Å; A165-A168 VanDerWaalsContact O-N 3.12Å; A165-D169 PolarHBondContact O-N 3.38Å |
| 166 | L | 77.3 | Confident | 70.3 | Confident | 108 Ų | 108 | 77.8 Ų | 77.8 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.7 | -28.8 | 173.8 | -73.7 | 170.9 | 0 | 0 | 0 | 113.2 | D162 T163 K170 | D162-L166 WeakPolarHBondContact O-CB 3.18Å; D162-L166 VanDerWaalsContact O-CG 3.23Å; D162-L166 WeakPolarHBondContact O-CG 3.23Å; D162-L166 PolarHBondContact O-N 3.28Å; T163-L166 PolarHBondContact O-N 2.86Å; L166-K170 WeakPolarHBondContact O-CG 3.42Å |
| 167 | Q | 72 | Confident | 68.1 | Low | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.075 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -77.5 | -38.9 | 172.9 | -71.4 | -168.2 | -42.3 | 0 | 0 | 112.1 | T163 L164 A165 D169 K170 L342 D344 | T163-Q167 WeakPolarHBondContact O-CG 3.33Å; T163-Q167 PolarHBondContact O-N 3.49Å; L164-Q167 WeakPolarHBondContact O-CB 3.31Å; L164-Q167 PolarHBondContact O-N 3.22Å; L164-Q167 VanDerWaalsContact O-N 3.15Å; A165-Q167 PolarHBondContact O-N 2.91Å; Q167-D169 VanDerWaalsContact C-N 3.32Å; Q167-D169 PolarHBondContact O-N 3.48Å; Q167-K170 PolarHBondContact O-N 3.19Å; Q167-L342 HydrophobicContact CB-CD1 4.47Å; Q167-D344 PolarHBondContact NE2-OD2 3.34Å |
| 168 | A | 69.8 | Low | 66.7 | Low | 40 Ų | 40 | 90.6 Ų | 90.6 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L164 A165 K171 L342 | L164-A168 PolarHBondContact O-N 3.34Å; A165-A168 WeakPolarHBondContact O-CB 3.44Å; A165-A168 PolarHBondContact O-N 2.91Å; A165-A168 VanDerWaalsContact O-N 3.12Å; A168-K171 WeakPolarHBondContact O-CB 3.49Å; A168-K171 PolarHBondContact O-N 3.32Å; A168-L342 HydrophobicContact CB-CD1 4.01Å |
| 169 | D | 68.5 | Low | 64.6 | Low | 139 Ų | 139 | 90 Ų | 90 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.7 | -31 | 178.1 | -170.6 | 51.4 | 0 | 0 | 0 | 112.5 | A165 Q167 K171 | A165-D169 PolarHBondContact O-N 3.38Å; Q167-D169 VanDerWaalsContact C-N 3.32Å; Q167-D169 PolarHBondContact O-N 3.48Å; D169-K171 PolarHBondContact O-N 3.41Å |
| 170 | K | 63.2 | Low | 62.4 | Low | 93 Ų | 93 | 93 Ų | 93 | 40% | 0.404 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -73.6 | 3.8 | 178 | -71.4 | 177.1 | -175.6 | 175.3 | 0 | 114.6 | L166 Q167 G172 R173 R184 | L166-K170 WeakPolarHBondContact O-CG 3.42Å; Q167-K170 PolarHBondContact O-N 3.19Å; K170-G172 PolarHBondContact O-N 2.81Å; K170-R173 PolarHBondContact O-N 3.24Å; K170-R184 VanDerWaalsContact CD-NH2 3.27Å |
| 171 | K | 54.7 | Low | 59.9 | Low | 121 Ų | 121 | 103.5 Ų | 103.5 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -58.5 | -7.1 | -176.2 | -150.9 | 178.7 | -177.7 | 175.8 | 0 | 114.7 | A168 D169 S185 | A168-K171 WeakPolarHBondContact O-CB 3.49Å; A168-K171 PolarHBondContact O-N 3.32Å; D169-K171 PolarHBondContact O-N 3.41Å; K171-S185 WeakPolarHBondContact CG-O 2.98Å; K171-S185 WeakPolarHBondContact O-CB 3.48Å; K171-S185 PolarHBondContact O-OG 3Å |
| 172 | G | 50.7 | Low | 57.8 | Low | 75 Ų | 75 | 107.2 Ų | 107.2 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -109.3 | -5.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | K170 | K170-G172 PolarHBondContact O-N 2.81Š|
| 173 | R | 47.1 | Very low | 55.8 | Low | 213 Ų | 213 | 105 Ų | 105 | 80% | 0.804 | 55% | 0.553 | S | S | * | * | trans | -111.5 | 106.9 | -175.2 | -112.6 | 177.3 | -174.1 | 166.1 | 2.3 | 113.2 | K170 | K170-R173 PolarHBondContact O-N 3.24Š| ||
| 174 | S | 42 | Very low | 54.2 | Low | 80 Ų | 80 | 107.9 Ų | 107.9 | 56% | 0.559 | 56% | 0.562 | S | S | * | * | trans | -84.1 | 129.7 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 175 | I | 42.1 | Very low | 52.7 | Low | 110 Ų | 110 | 109.2 Ų | 109.2 | 56% | 0.564 | 57% | 0.573 | S | S | * | * | trans | -107.4 | 137.3 | 167 | -63.8 | 175.4 | 0 | 0 | 0 | 108.5 | V177 | I175-V177 HydrophobicContact CG2-CG2 4.12Š| ||
| 176 | R | 35.8 | Very low | 51.7 | Low | 217 Ų | 217 | 109 Ų | 109 | 82% | 0.819 | 57% | 0.568 | S | S | * | * | trans | -96.9 | 111.2 | 178.6 | -149.9 | -172.4 | -58 | -175 | 3.1 | 107.9 | ||||
| 177 | V | 44 | Very low | 51.4 | Low | 112 Ų | 112 | 104.1 Ų | 104.1 | 68% | 0.679 | 54% | 0.543 | S | S | * | . | B | Isolated β-bridge | trans | -117.6 | 109 | 167 | -177.1 | 0 | 0 | 0 | 0 | 106.9 | I175 | I175-V177 HydrophobicContact CG2-CG2 4.12Å |
| 178 | L | 58.8 | Low | 51.9 | Low | 158 Ų | 158 | 105.9 Ų | 105.9 | 83% | 0.827 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.3 | -147.1 | -171.5 | -156.1 | 71.2 | 0 | 0 | 0 | 112.6 | L180 | L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 3.37Å |
| 179 | C | 44.3 | Very low | 52.7 | Low | 125 Ų | 125 | 105.6 Ų | 105.6 | 85% | 0.845 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.8 | -174.3 | -61.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 180 | L | 39.6 | Very low | 53.6 | Low | 136 Ų | 136 | 99 Ų | 99 | 71% | 0.712 | 51% | 0.508 | S | S | * | . | B | Isolated β-bridge | trans | -95.1 | 110.2 | 177.4 | -67.6 | 168 | 0 | 0 | 0 | 109.3 | L178 L182 | L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 3.37Å; L180-L182 PolarHBondContact O-N 3.34Å |
| 181 | R | 35.4 | Very low | 54.9 | Low | 224 Ų | 224 | 95.1 Ų | 95.1 | 85% | 0.845 | 49% | 0.492 | S | S | * | . | trans | -66.4 | 82.4 | 163.5 | -74.4 | -174.7 | -176 | 170.8 | 1.3 | 108.5 | S183 | R181-S183 VanDerWaalsContact C-N 3.26Å; R181-S183 PolarHBondContact O-N 2.85Å | ||
| 182 | L | 41.5 | Very low | 56.6 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | trans | -78 | 86.7 | 169.8 | -148.7 | 74.5 | 0 | 0 | 0 | 107.7 | L180 R184 Y189 | L180-L182 PolarHBondContact O-N 3.34Å; L182-R184 PolarHBondContact O-N 3.15Å; L182-Y189 HydrophobicContact CD2-CD2 4.48Å; L182-Y189 HydrophobicContact CD2-CE2 4.38Å | ||
| 183 | S | 43.6 | Very low | 58.6 | Low | 58 Ų | 58 | 89.3 Ų | 89.3 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | trans | -60.4 | 107.9 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | R181 S185 | R181-S183 VanDerWaalsContact C-N 3.26Å; R181-S183 PolarHBondContact O-N 2.85Å; S183-S185 PolarHBondContact O-N 2.93Å; S183-S185 VanDerWaalsContact O-N 3.08Å; S183-S185 VanDerWaalsContact OG-CB 3.24Å; S183-S185 WeakPolarHBondContact OG-CB 3.2Å; S183-S185 PolarHBondContact OG-N 3.44Å | ||
| 184 | R | 48 | Very low | 60.8 | Low | 72 Ų | 72 | 79.5 Ų | 79.5 | 27% | 0.272 | 42% | 0.417 | S | S | . | . | trans | -69.6 | 5.7 | 170 | -154.3 | -176.9 | 143.8 | 104.2 | 14.7 | 111.8 | Q126 K170 L182 | Q126-R184 PolarHBondContact O-NH1 3.5Å; K170-R184 VanDerWaalsContact CD-NH2 3.27Å; L182-R184 PolarHBondContact O-N 3.15Å | ||
| 185 | S | 50.9 | Low | 63.2 | Low | 38 Ų | 38 | 76.8 Ų | 76.8 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 17.4 | -155.4 | 137.2 | 0 | 0 | 0 | 0 | 114.7 | K171 S183 | K171-S185 WeakPolarHBondContact CG-O 2.98Å; K171-S185 WeakPolarHBondContact O-CB 3.48Å; K171-S185 PolarHBondContact O-OG 3Å; S183-S185 PolarHBondContact O-N 2.93Å; S183-S185 VanDerWaalsContact O-N 3.08Å; S183-S185 VanDerWaalsContact OG-CB 3.24Å; S183-S185 WeakPolarHBondContact OG-CB 3.2Å; S183-S185 PolarHBondContact OG-N 3.44Å |
| 186 | S | 57.8 | Low | 65.7 | Low | 55 Ų | 55 | 76 Ų | 76 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 11.3 | 175.6 | -174 | 0 | 0 | 0 | 0 | 115.9 | N188 | S186-N188 PolarHBondContact O-N 2.86Š|
| 187 | G | 69.6 | Low | 68.6 | Low | 5 Ų | 5 | 65.9 Ų | 65.9 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 57.9 | 35.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P343 D344 | G187-P343 WeakPolarHBondContact O-CD 3.43Å; G187-D344 VanDerWaalsContact C-CG 3.45Å; G187-D344 VanDerWaalsContact O-CB 3.27Å; G187-D344 WeakPolarHBondContact O-CB 3.3Å; G187-D344 PolarHBondContact O-N 3.09Å |
| 188 | N | 82.7 | Confident | 71 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | trans | -120.8 | 9 | -175.9 | 68 | -15.6 | 0 | 0 | 0 | 112.5 | S186 T191 C192 P343 D344 | S186-N188 PolarHBondContact O-N 2.86Å; N188-T191 PolarHBondContact O-N 2.97Å; N188-C192 VanDerWaalsContact O-CB 3.26Å; N188-C192 WeakPolarHBondContact O-CB 3.5Å; N188-C192 PolarHBondContact O-N 3.28Å; N188-P343 HydrophobicContact CB-CB 4.21Å; N188-P343 HydrophobicContact CB-CG 4.19Å; N188-D344 VanDerWaalsContact CA-OD1 3.23Å; N188-D344 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 189 | Y | 86.1 | Confident | 72.8 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | -173.6 | 170.1 | -91.5 | 0 | 0 | 0 | 110.5 | L123 Q126 L182 T191 C192 L193 D344 | L123-Y189 PolarHBondContact O-OH 3.32Å; Q126-Y189 HydrophobicContact CB-CE1 4.32Å; Q126-Y189 WeakPolarHBondContact CB-OH 3.44Å; Q126-Y189 PolarHBondContact OE1-OH 3.44Å; Q126-Y189 VanDerWaalsContact OE1-OH 3.12Å; L182-Y189 HydrophobicContact CD2-CD2 4.48Å; L182-Y189 HydrophobicContact CD2-CE2 4.38Å; Y189-T191 VanDerWaalsContact C-N 3.3Å; Y189-T191 PolarHBondContact O-N 3.32Å; Y189-C192 PolarHBondContact O-N 3.34Å; Y189-L193 HydrophobicContact CE1-CD2 4.21Å; Y189-L193 VanDerWaalsContact O-CB 3.32Å; Y189-L193 WeakPolarHBondContact O-CB 3.13Å; Y189-L193 PolarHBondContact O-N 3.32Å; Y189-D344 PolarHBondContact N-OD1 2.79Å; Y189-D344 PolarHBondContact N-OD2 3.44Å |
| 190 | L | 88.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | -179.1 | -176.1 | 64.7 | 0 | 0 | 0 | 110.5 | W120 N124 I129 V131 L193 Y194 D344 L347 L348 | W120-L190 HydrophobicContact CH2-CD1 3.44Å; W120-L190 VanDerWaalsContact CH2-CD1 3.44Å; W120-L190 HydrophobicContact CH2-CG 4.21Å; W120-L190 HydrophobicContact CZ2-CD1 4.03Å; W120-L190 HydrophobicContact CZ3-CD1 4.17Å; N124-L190 WeakPolarHBondContact ND2-CD1 3.45Å; I129-L190 HydrophobicContact CD1-CD2 4.42Å; V131-L190 HydrophobicContact CG2-CD1 4.19Å; V131-L190 HydrophobicContact CG2-CD2 3.89Å; L190-L193 PolarHBondContact O-N 3.26Å; L190-Y194 WeakPolarHBondContact O-CB 3.39Å; L190-Y194 PolarHBondContact O-N 2.87Å; L190-D344 HydrophobicContact CB-CB 4.2Å; L190-D344 PolarHBondContact N-OD1 2.85Å; L190-D344 PolarHBondContact N-OD2 2.84Å; L190-D344 VanDerWaalsContact N-OD2 3.08Å; L190-L347 HydrophobicContact CD2-CD2 4.21Å; L190-L347 HydrophobicContact CG-CD2 3.9Å; L190-L348 HydrophobicContact CD2-CD2 3.94Å; L190-L348 HydrophobicContact CD2-CG 4.29Å |
| 191 | T | 89.7 | Confident | 78.1 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 177 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | N188 Y189 Y194 N195 S303 P343 D344 | N188-T191 PolarHBondContact O-N 2.97Å; Y189-T191 VanDerWaalsContact C-N 3.3Å; Y189-T191 PolarHBondContact O-N 3.32Å; T191-Y194 PolarHBondContact O-N 3.17Å; T191-N195 PolarHBondContact O-N 3.42Å; T191-N195 VanDerWaalsContact O-N 3.11Å; T191-N195 PolarHBondContact O-ND2 2.9Å; T191-S303 WeakPolarHBondContact CG2-OG 3.39Å; T191-P343 PolarHBondContact OG1-O 2.95Å; T191-D344 WeakPolarHBondContact CB-OD1 3.26Å; T191-D344 PolarHBondContact N-OD1 2.69Å; T191-D344 PolarHBondContact OG1-OD1 3.33Å |
| 192 | C | 90.9 | Very high | 81.1 | Confident | 61 Ų | 61 | 39 Ų | 39 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | N188 Y189 Y194 N195 F196 | N188-C192 VanDerWaalsContact O-CB 3.26Å; N188-C192 WeakPolarHBondContact O-CB 3.5Å; N188-C192 PolarHBondContact O-N 3.28Å; Y189-C192 PolarHBondContact O-N 3.34Å; C192-Y194 VanDerWaalsContact C-N 3.29Å; C192-Y194 PolarHBondContact O-N 2.85Å; C192-N195 PolarHBondContact O-N 3Å; C192-F196 WeakPolarHBondContact O-CB 3.22Å; C192-F196 PolarHBondContact O-N 3.43Å |
| 193 | L | 91.7 | Very high | 83.7 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 175.7 | 179.5 | 64.2 | 0 | 0 | 0 | 111.1 | W120 L123 Y189 L190 F196 I197 | W120-L193 HydrophobicContact CE3-CD2 3.95Å; W120-L193 HydrophobicContact CE3-CG 3.82Å; W120-L193 HydrophobicContact CZ3-CB 4.18Å; W120-L193 HydrophobicContact CZ3-CD2 3.89Å; W120-L193 HydrophobicContact CZ3-CG 3.76Å; L123-L193 HydrophobicContact CB-CD1 3.78Å; L123-L193 HydrophobicContact CB-CD2 3.78Å; L123-L193 HydrophobicContact CB-CG 4.43Å; L123-L193 HydrophobicContact CD1-CD1 3.69Å; L123-L193 HydrophobicContact CG-CD1 4.39Å; Y189-L193 HydrophobicContact CE1-CD2 4.21Å; Y189-L193 VanDerWaalsContact O-CB 3.32Å; Y189-L193 WeakPolarHBondContact O-CB 3.13Å; Y189-L193 PolarHBondContact O-N 3.32Å; L190-L193 PolarHBondContact O-N 3.26Å; L193-F196 WeakPolarHBondContact O-CB 2.96Å; L193-F196 PolarHBondContact O-N 3.12Å; L193-I197 WeakPolarHBondContact O-CG1 3.4Å; L193-I197 PolarHBondContact O-N 2.92Å |
| 194 | Y | 92.9 | Very high | 86.3 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | -178.4 | -172.5 | -121.3 | 0 | 0 | 0 | 111.9 | D22 W120 L190 T191 C192 F196 I197 K198 W299 L347 F351 | D22-Y194 PolarHBondContact OD2-OH 2.88Å; W120-Y194 HydrophobicContact CE3-CD2 4.24Å; W120-Y194 AromaticContact CH2-CD2 3.79Å; W120-Y194 HydrophobicContact CH2-CD2 3.79Å; W120-Y194 HydrophobicContact CH2-CG 4.18Å; W120-Y194 HydrophobicContact CZ2-CD2 4.28Å; W120-Y194 VanDerWaalsContact CZ3-CA 3.44Å; W120-Y194 AromaticContact CZ3-CD2 3.81Å; W120-Y194 HydrophobicContact CZ3-CD2 3.81Å; W120-Y194 HydrophobicContact CZ3-CG 4.17Å; L190-Y194 WeakPolarHBondContact O-CB 3.39Å; L190-Y194 PolarHBondContact O-N 2.87Å; T191-Y194 PolarHBondContact O-N 3.17Å; C192-Y194 VanDerWaalsContact C-N 3.29Å; C192-Y194 PolarHBondContact O-N 2.85Å; Y194-F196 VanDerWaalsContact C-N 3.31Å; Y194-F196 PolarHBondContact O-N 2.89Å; Y194-I197 PolarHBondContact O-N 3.41Å; Y194-K198 HydrophobicContact CE1-CD 4.29Å; Y194-K198 PolarHBondContact O-N 2.91Å; Y194-K198 VanDerWaalsContact O-N 3.1Å; Y194-K198 VanDerWaalsContact OH-CE 3.26Å; Y194-K198 WeakPolarHBondContact OH-CE 3.32Å; Y194-K198 PolarHBondContact OH-NZ 3.02Å; Y194-W299 HydrophobicContact CD1-CD2 4.44Å; Y194-W299 HydrophobicContact CD1-CE3 4.17Å; Y194-W299 HydrophobicContact CD1-CZ3 4.26Å; Y194-W299 AromaticContact CE1-CD2 3.85Å; Y194-W299 HydrophobicContact CE1-CD2 3.85Å; Y194-W299 AromaticContact CE1-CE2 3.79Å; Y194-W299 AromaticContact CE1-CE3 3.86Å; Y194-W299 HydrophobicContact CE1-CE3 3.86Å; Y194-W299 AromaticContact CE1-CH2 3.77Å; Y194-W299 HydrophobicContact CE1-CH2 3.77Å; Y194-W299 AromaticContact CE1-CZ2 3.76Å; Y194-W299 HydrophobicContact CE1-CZ2 3.76Å; Y194-W299 AromaticContact CE1-CZ3 3.83Å; Y194-W299 HydrophobicContact CE1-CZ3 3.83Å; Y194-L347 HydrophobicContact CD1-CD1 3.97Å; Y194-L347 HydrophobicContact CE1-CD1 4.27Å; Y194-F351 HydrophobicContact CD1-CE1 4.49Å; Y194-F351 HydrophobicContact CD1-CZ 4.12Å; Y194-F351 HydrophobicContact CD2-CZ 4Å; Y194-F351 AromaticContact CE1-CE1 3.87Å; Y194-F351 HydrophobicContact CE1-CE1 3.87Å; Y194-F351 AromaticContact CE1-CZ 3.93Å; Y194-F351 HydrophobicContact CE1-CZ 3.93Å; Y194-F351 HydrophobicContact CE2-CE1 4.1Å; Y194-F351 AromaticContact CE2-CZ 3.86Å; Y194-F351 HydrophobicContact CE2-CZ 3.86Å; Y194-F351 HydrophobicContact CG-CZ 4.14Å; Y194-F351 AromaticContact CZ-CE1 3.66Å; Y194-F351 AromaticContact CZ-CZ 3.82Å |
| 195 | N | 93.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 33 Ų | 33 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 173.9 | -78.9 | -79.2 | 0 | 0 | 0 | 112.1 | T191 C192 K198 F199 I300 S303 | T191-N195 PolarHBondContact O-N 3.42Å; T191-N195 VanDerWaalsContact O-N 3.11Å; T191-N195 PolarHBondContact O-ND2 2.9Å; C192-N195 PolarHBondContact O-N 3Å; N195-K198 PolarHBondContact O-N 3.49Å; N195-F199 PolarHBondContact O-N 3.23Å; N195-I300 PolarHBondContact OD1-N 3.25Å; N195-S303 PolarHBondContact ND2-OG 3.25Å; N195-S303 VanDerWaalsContact ND2-OG 3.09Å |
| 196 | F | 95 | Very high | 90.8 | Very high | 94 Ų | 94 | 34 Ų | 34 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.9 | 176 | -106.9 | 0 | 0 | 0 | 112.3 | C192 L193 Y194 K198 F199 L200 | C192-F196 WeakPolarHBondContact O-CB 3.22Å; C192-F196 PolarHBondContact O-N 3.43Å; L193-F196 WeakPolarHBondContact O-CB 2.96Å; L193-F196 PolarHBondContact O-N 3.12Å; Y194-F196 VanDerWaalsContact C-N 3.31Å; Y194-F196 PolarHBondContact O-N 2.89Å; F196-K198 VanDerWaalsContact C-N 3.33Å; F196-K198 PolarHBondContact O-N 3.26Å; F196-F199 WeakPolarHBondContact O-CB 2.92Å; F196-F199 PolarHBondContact O-N 3.49Å; F196-L200 HydrophobicContact CD1-CD1 4.23Å; F196-L200 HydrophobicContact CE1-CD1 3.65Å; F196-L200 HydrophobicContact CE1-CG 4.12Å; F196-L200 HydrophobicContact CE2-CD2 4.4Å; F196-L200 HydrophobicContact CE2-CG 4.47Å; F196-L200 HydrophobicContact CZ-CD1 3.98Å; F196-L200 HydrophobicContact CZ-CD2 4.07Å; F196-L200 HydrophobicContact CZ-CG 4.08Å; F196-L200 PolarHBondContact O-N 3.43Å |
| 197 | I | 95.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 175.1 | -64.2 | -55.7 | 0 | 0 | 0 | 111.6 | P116 L119 W120 L193 Y194 F199 L200 Y201 | P116-I197 HydrophobicContact CB-CG2 4.13Å; L119-I197 HydrophobicContact CB-CD1 3.89Å; W120-I197 HydrophobicContact CB-CD1 4.31Å; W120-I197 HydrophobicContact CB-CG1 3.97Å; W120-I197 HydrophobicContact CB-CG2 4.35Å; W120-I197 HydrophobicContact CE3-CG1 3.91Å; L193-I197 WeakPolarHBondContact O-CG1 3.4Å; L193-I197 PolarHBondContact O-N 2.92Å; Y194-I197 PolarHBondContact O-N 3.41Å; I197-F199 VanDerWaalsContact C-N 3.31Å; I197-F199 PolarHBondContact O-N 3.16Å; I197-L200 HydrophobicContact CD1-CD1 4.11Å; I197-L200 WeakPolarHBondContact O-CB 3.32Å; I197-L200 PolarHBondContact O-N 3.32Å; I197-Y201 HydrophobicContact CG2-CD2 4.29Å; I197-Y201 HydrophobicContact CG2-CE2 3.77Å; I197-Y201 WeakPolarHBondContact O-CD2 3.38Å; I197-Y201 PolarHBondContact O-N 3.34Å |
| 198 | K | 95.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 173.8 | -69.5 | -175.5 | -174.1 | -70.4 | 0 | 112.7 | D19 D22 Y194 N195 F196 L200 Y201 L202 N295 L296 W299 | D19-K198 IonicContact OD1-NZ 3.77Å; D19-K198 IonicContact OD2-NZ 2.97Å; D19-K198 PolarHBondContact OD2-NZ 3.17Å; D22-K198 IonicContact OD1-NZ 3.27Å; D22-K198 PolarHBondContact OD1-NZ 3.45Å; D22-K198 IonicContact OD2-NZ 3.67Å; D22-K198 PolarHBondContact OD2-NZ 3.08Å; Y194-K198 HydrophobicContact CE1-CD 4.29Å; Y194-K198 PolarHBondContact O-N 2.91Å; Y194-K198 VanDerWaalsContact O-N 3.1Å; Y194-K198 VanDerWaalsContact OH-CE 3.26Å; Y194-K198 WeakPolarHBondContact OH-CE 3.32Å; Y194-K198 PolarHBondContact OH-NZ 3.02Å; N195-K198 PolarHBondContact O-N 3.49Å; F196-K198 VanDerWaalsContact C-N 3.33Å; F196-K198 PolarHBondContact O-N 3.26Å; K198-L200 VanDerWaalsContact C-N 3.35Å; K198-Y201 PolarHBondContact O-N 2.71Å; K198-L202 PolarHBondContact O-N 3.49Å; K198-N295 PolarHBondContact NZ-ND2 3.01Å; K198-N295 VanDerWaalsContact NZ-ND2 3.2Å; K198-L296 HydrophobicContact CB-CD1 3.62Å; K198-W299 HydrophobicContact CD-CB 3.85Å; K198-W299 VanDerWaalsContact CD-CD1 3.44Å; K198-W299 HydrophobicContact CD-CD2 4.43Å; K198-W299 HydrophobicContact CD-CG 3.64Å; K198-W299 VanDerWaalsContact CE-NE1 3.34Å |
| 199 | F | 96.8 | Very high | 94.3 | Very high | 101 Ų | 101 | 31.9 Ų | 31.9 | 44% | 0.443 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 173.6 | -180 | -115.5 | 0 | 0 | 0 | 112 | N195 F196 I197 Y201 L202 I203 L296 | N195-F199 PolarHBondContact O-N 3.23Å; F196-F199 WeakPolarHBondContact O-CB 2.92Å; F196-F199 PolarHBondContact O-N 3.49Å; I197-F199 VanDerWaalsContact C-N 3.31Å; I197-F199 PolarHBondContact O-N 3.16Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 PolarHBondContact O-N 3.09Å; F199-L202 PolarHBondContact O-N 2.88Å; F199-L202 VanDerWaalsContact O-N 3.17Å; F199-I203 HydrophobicContact CD1-CD1 3.62Å; F199-I203 HydrophobicContact CD1-CG1 4.47Å; F199-I203 HydrophobicContact CE1-CD1 3.23Å; F199-I203 HydrophobicContact CE1-CG1 4.13Å; F199-I203 HydrophobicContact CE2-CD1 4.31Å; F199-I203 HydrophobicContact CE2-CG1 4.36Å; F199-I203 HydrophobicContact CG-CD1 4.33Å; F199-I203 HydrophobicContact CZ-CD1 3.61Å; F199-I203 HydrophobicContact CZ-CG1 4.06Å; F199-I203 PolarHBondContact O-N 3.43Å; F199-L296 HydrophobicContact CB-CD1 4.34Å; F199-L296 HydrophobicContact CB-CD2 4.43Å; F199-L296 HydrophobicContact CD2-CD2 4.08Å |
| 200 | L | 97.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 20% | 0.199 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 173.1 | -68.7 | -177.8 | 0 | 0 | 0 | 113 | P116 L119 F196 I197 K198 L202 I203 N204 | P116-L200 HydrophobicContact CB-CB 4.07Å; P116-L200 HydrophobicContact CG-CB 4.15Å; L119-L200 HydrophobicContact CD2-CD1 4.01Å; F196-L200 HydrophobicContact CD1-CD1 4.23Å; F196-L200 HydrophobicContact CE1-CD1 3.65Å; F196-L200 HydrophobicContact CE1-CG 4.12Å; F196-L200 HydrophobicContact CE2-CD2 4.4Å; F196-L200 HydrophobicContact CE2-CG 4.47Å; F196-L200 HydrophobicContact CZ-CD1 3.98Å; F196-L200 HydrophobicContact CZ-CD2 4.07Å; F196-L200 HydrophobicContact CZ-CG 4.08Å; F196-L200 PolarHBondContact O-N 3.43Å; I197-L200 HydrophobicContact CD1-CD1 4.11Å; I197-L200 WeakPolarHBondContact O-CB 3.32Å; I197-L200 PolarHBondContact O-N 3.32Å; K198-L200 VanDerWaalsContact C-N 3.35Å; L200-L202 VanDerWaalsContact C-N 3.34Å; L200-I203 HydrophobicContact CD2-CD1 4.27Å; L200-I203 PolarHBondContact O-N 3.23Å; L200-N204 WeakPolarHBondContact O-CB 3.47Å; L200-N204 PolarHBondContact O-N 3.34Å |
| 201 | Y | 97.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 172 | -73.7 | -54.5 | 0 | 0 | 0 | 111.8 | D22 N25 P116 N117 I197 K198 F199 N204 V205 | D22-Y201 HydrophobicContact CB-CE2 4.44Å; N25-Y201 HydrophobicContact CB-CD1 3.5Å; N25-Y201 VanDerWaalsContact CB-CD1 3.5Å; N25-Y201 HydrophobicContact CB-CE1 3.67Å; N25-Y201 HydrophobicContact CB-CG 4.07Å; P116-Y201 HydrophobicContact CB-CD1 3.82Å; P116-Y201 HydrophobicContact CB-CE1 3.59Å; P116-Y201 HydrophobicContact CB-CE2 4.46Å; P116-Y201 HydrophobicContact CB-CG 4.33Å; P116-Y201 HydrophobicContact CG-CD1 3.71Å; P116-Y201 HydrophobicContact CG-CE1 3.8Å; P116-Y201 HydrophobicContact CG-CG 4.45Å; N117-Y201 WeakPolarHBondContact CB-OH 3.45Å; I197-Y201 HydrophobicContact CG2-CD2 4.29Å; I197-Y201 HydrophobicContact CG2-CE2 3.77Å; I197-Y201 WeakPolarHBondContact O-CD2 3.38Å; I197-Y201 PolarHBondContact O-N 3.34Å; K198-Y201 PolarHBondContact O-N 2.71Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 PolarHBondContact O-N 3.09Å; Y201-N204 WeakPolarHBondContact O-CB 3.34Å; Y201-N204 PolarHBondContact O-N 3.47Å; Y201-V205 WeakPolarHBondContact O-CG2 3.24Å; Y201-V205 PolarHBondContact O-N 2.82Å |
| 202 | L | 97.2 | Very high | 94.9 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 176.9 | -177.9 | 61.9 | 0 | 0 | 0 | 111.7 | K198 F199 L200 N204 V205 C206 A293 L296 | K198-L202 PolarHBondContact O-N 3.49Å; F199-L202 PolarHBondContact O-N 2.88Å; F199-L202 VanDerWaalsContact O-N 3.17Å; L200-L202 VanDerWaalsContact C-N 3.34Å; L202-N204 VanDerWaalsContact C-N 3.27Å; L202-N204 PolarHBondContact O-N 3.15Å; L202-V205 PolarHBondContact O-N 2.85Å; L202-C206 PolarHBondContact O-N 2.99Å; L202-C206 PolarHBondContact O-SG 2.68Å; L202-C206 VanDerWaalsContact O-SG 3.41Å; L202-A293 HydrophobicContact CD1-CB 4.08Å; L202-L296 HydrophobicContact CB-CD2 4.2Å; L202-L296 HydrophobicContact CD2-CD2 3.59Å |
| 203 | I | 97.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 37.7 Ų | 37.7 | 43% | 0.431 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 173.8 | -71.5 | 167 | 0 | 0 | 0 | 110.4 | F199 L200 C206 G207 | F199-I203 HydrophobicContact CD1-CD1 3.62Å; F199-I203 HydrophobicContact CD1-CG1 4.47Å; F199-I203 HydrophobicContact CE1-CD1 3.23Å; F199-I203 HydrophobicContact CE1-CG1 4.13Å; F199-I203 HydrophobicContact CE2-CD1 4.31Å; F199-I203 HydrophobicContact CE2-CG1 4.36Å; F199-I203 HydrophobicContact CG-CD1 4.33Å; F199-I203 HydrophobicContact CZ-CD1 3.61Å; F199-I203 HydrophobicContact CZ-CG1 4.06Å; F199-I203 PolarHBondContact O-N 3.43Å; L200-I203 HydrophobicContact CD2-CD1 4.27Å; L200-I203 PolarHBondContact O-N 3.23Å; I203-C206 PolarHBondContact O-N 3.49Å; I203-G207 PolarHBondContact O-N 3Å |
| 204 | N | 97.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -51.1 | 178.8 | 177.7 | 48.6 | 0 | 0 | 0 | 110.7 | L112 F113 L200 Y201 L202 C206 G207 Q208 | L112-N204 WeakPolarHBondContact CB-OD1 3.2Å; F113-N204 WeakPolarHBondContact CA-ND2 3.4Å; F113-N204 WeakPolarHBondContact CD1-ND2 3.37Å; F113-N204 WeakPolarHBondContact CE1-ND2 3.25Å; F113-N204 WeakPolarHBondContact CG-ND2 3.44Å; L200-N204 WeakPolarHBondContact O-CB 3.47Å; L200-N204 PolarHBondContact O-N 3.34Å; Y201-N204 WeakPolarHBondContact O-CB 3.34Å; Y201-N204 PolarHBondContact O-N 3.47Å; L202-N204 VanDerWaalsContact C-N 3.27Å; L202-N204 PolarHBondContact O-N 3.15Å; N204-C206 PolarHBondContact O-N 3.45Å; N204-G207 CarbonylContact O-C 3.55Å; N204-G207 WeakPolarHBondContact O-CA 3.5Å; N204-G207 PolarHBondContact O-N 2.99Å; N204-Q208 VanDerWaalsContact O-CG 3.31Å; N204-Q208 WeakPolarHBondContact O-CG 3.31Å; N204-Q208 PolarHBondContact O-N 3.24Å; N204-Q208 PolarHBondContact OD1-NE2 2.84Å |
| 205 | V | 96.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 179.6 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | F113 Y201 L202 G207 Q208 F209 V288 | F113-V205 HydrophobicContact CE1-CG2 3.8Å; F113-V205 HydrophobicContact CZ-CG2 4.06Å; Y201-V205 WeakPolarHBondContact O-CG2 3.24Å; Y201-V205 PolarHBondContact O-N 2.82Å; L202-V205 PolarHBondContact O-N 2.85Å; V205-G207 VanDerWaalsContact C-N 3.32Å; V205-G207 PolarHBondContact O-N 2.67Å; V205-Q208 WeakPolarHBondContact O-CB 3.48Å; V205-Q208 PolarHBondContact O-N 2.96Å; V205-Q208 VanDerWaalsContact O-N 3.15Å; V205-F209 HydrophobicContact CG1-CD2 4.36Å; V205-F209 HydrophobicContact CG1-CE2 4.11Å; V205-F209 WeakPolarHBondContact O-CD2 3.37Å; V205-F209 PolarHBondContact O-N 3.49Å; V205-V288 HydrophobicContact CG2-CG1 4.03Å |
| 206 | C | 95.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | L202 I203 N204 Q208 F209 F210 | L202-C206 PolarHBondContact O-N 2.99Å; L202-C206 PolarHBondContact O-SG 2.68Å; L202-C206 VanDerWaalsContact O-SG 3.41Å; I203-C206 PolarHBondContact O-N 3.49Å; N204-C206 PolarHBondContact O-N 3.45Å; C206-Q208 VanDerWaalsContact C-N 3.28Å; C206-Q208 PolarHBondContact O-N 3.31Å; C206-F209 WeakPolarHBondContact O-CB 2.94Å; C206-F209 PolarHBondContact O-N 3.36Å; C206-F210 WeakPolarHBondContact O-CD2 3.39Å; C206-F210 PolarHBondContact O-N 3.04Å |
| 207 | G | 95.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 42 Ų | 42 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -36 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I203 N204 V205 F210 L211 | I203-G207 PolarHBondContact O-N 3Å; N204-G207 CarbonylContact O-C 3.55Å; N204-G207 WeakPolarHBondContact O-CA 3.5Å; N204-G207 PolarHBondContact O-N 2.99Å; V205-G207 VanDerWaalsContact C-N 3.32Å; V205-G207 PolarHBondContact O-N 2.67Å; G207-F210 PolarHBondContact O-N 3.32Å; G207-L211 WeakPolarHBondContact O-CB 3.29Å; G207-L211 PolarHBondContact O-N 3.43Å |
| 208 | Q | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 176 | -62.7 | -53 | -34.4 | 0 | 0 | 112.7 | F113 N204 V205 C206 L211 M212 M285 | F113-Q208 HydrophobicContact CD2-CG 4.44Å; F113-Q208 HydrophobicContact CE2-CG 3.55Å; F113-Q208 HydrophobicContact CZ-CG 3.87Å; N204-Q208 VanDerWaalsContact O-CG 3.31Å; N204-Q208 WeakPolarHBondContact O-CG 3.31Å; N204-Q208 PolarHBondContact O-N 3.24Å; N204-Q208 PolarHBondContact OD1-NE2 2.84Å; V205-Q208 WeakPolarHBondContact O-CB 3.48Å; V205-Q208 PolarHBondContact O-N 2.96Å; V205-Q208 VanDerWaalsContact O-N 3.15Å; C206-Q208 VanDerWaalsContact C-N 3.28Å; C206-Q208 PolarHBondContact O-N 3.31Å; Q208-L211 PolarHBondContact O-N 3.33Å; Q208-M212 VanDerWaalsContact O-CB 3.24Å; Q208-M212 WeakPolarHBondContact O-CB 3.43Å; Q208-M212 PolarHBondContact O-N 3.05Å; Q208-M285 HydrophobicContact CB-SD 4.38Å |
| 209 | F | 93.5 | Very high | 91.3 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 172.6 | -81.4 | -73.7 | 0 | 0 | 0 | 111.1 | V205 C206 L211 M212 N213 W282 M285 F286 | V205-F209 HydrophobicContact CG1-CD2 4.36Å; V205-F209 HydrophobicContact CG1-CE2 4.11Å; V205-F209 WeakPolarHBondContact O-CD2 3.37Å; V205-F209 PolarHBondContact O-N 3.49Å; C206-F209 WeakPolarHBondContact O-CB 2.94Å; C206-F209 PolarHBondContact O-N 3.36Å; F209-L211 PolarHBondContact O-N 3.15Å; F209-M212 HydrophobicContact CD1-CE 4.06Å; F209-M212 HydrophobicContact CE1-CE 4.33Å; F209-M212 PolarHBondContact O-N 3.21Å; F209-N213 WeakPolarHBondContact O-CB 3.44Å; F209-N213 PolarHBondContact O-N 3.42Å; F209-N213 PolarHBondContact O-ND2 2.96Å; F209-N213 VanDerWaalsContact O-ND2 3.11Å; F209-W282 AromaticContact CE1-NE1 3.97Å; F209-M285 HydrophobicContact CE1-CB 4.3Å; F209-M285 HydrophobicContact CE2-CB 3.94Å; F209-M285 HydrophobicContact CZ-CB 3.74Å; F209-F286 HydrophobicContact CZ-CB 4.22Å |
| 210 | F | 92.1 | Very high | 90.2 | Very high | 154 Ų | 154 | 51.2 Ų | 51.2 | 68% | 0.675 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 175.8 | -70.2 | -67.2 | 0 | 0 | 0 | 112.5 | C206 G207 N213 G214 | C206-F210 WeakPolarHBondContact O-CD2 3.39Å; C206-F210 PolarHBondContact O-N 3.04Å; G207-F210 PolarHBondContact O-N 3.32Å; F210-N213 PolarHBondContact O-N 3.22Å; F210-G214 PolarHBondContact O-N 3.17Å |
| 211 | L | 93.4 | Very high | 89.2 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 28% | 0.277 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 177.7 | -172.1 | 157.8 | 0 | 0 | 0 | 110.7 | V105 Q109 L112 G207 Q208 F209 G214 F215 | V105-L211 HydrophobicContact CG1-CD2 3.61Å; Q109-L211 HydrophobicContact CG-CD1 4.36Å; Q109-L211 HydrophobicContact CG-CD2 4.14Å; L112-L211 HydrophobicContact CD1-CD1 4.32Å; G207-L211 WeakPolarHBondContact O-CB 3.29Å; G207-L211 PolarHBondContact O-N 3.43Å; Q208-L211 PolarHBondContact O-N 3.33Å; F209-L211 PolarHBondContact O-N 3.15Å; L211-G214 PolarHBondContact O-N 2.9Å; L211-F215 WeakPolarHBondContact O-CB 3.25Å; L211-F215 PolarHBondContact O-N 2.97Å |
| 212 | M | 92.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | -178.1 | -172.9 | 170.9 | 60.9 | 0 | 0 | 112.3 | Q208 F209 F215 L216 W223 Y278 W282 | Q208-M212 VanDerWaalsContact O-CB 3.24Å; Q208-M212 WeakPolarHBondContact O-CB 3.43Å; Q208-M212 PolarHBondContact O-N 3.05Å; F209-M212 HydrophobicContact CD1-CE 4.06Å; F209-M212 HydrophobicContact CE1-CE 4.33Å; F209-M212 PolarHBondContact O-N 3.21Å; M212-F215 PolarHBondContact O-N 3.4Å; M212-L216 HydrophobicContact CG-CD1 4.17Å; M212-L216 PolarHBondContact O-N 3.13Å; M212-W223 HydrophobicContact CE-CZ2 3.76Å; M212-W223 HydrophobicContact CG-CZ2 3.78Å; M212-W223 HydrophobicContact SD-CH2 4.36Å; M212-W223 HydrophobicContact SD-CZ2 3.63Å; M212-Y278 HydrophobicContact CG-CD1 3.82Å; M212-Y278 HydrophobicContact CG-CE1 4.02Å; M212-Y278 HydrophobicContact SD-CD1 3.89Å; M212-Y278 HydrophobicContact SD-CE1 4.45Å; M212-W282 HydrophobicContact CE-CB 4.16Å; M212-W282 HydrophobicContact CE-CG 4.23Å |
| 213 | N | 90.3 | Very high | 88 | Confident | 18 Ų | 18 | 56 Ų | 56 | 10% | 0.096 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 177.1 | -67.6 | -20.6 | 0 | 0 | 0 | 111.9 | F209 F210 S217 T218 S221 W223 | F209-N213 WeakPolarHBondContact O-CB 3.44Å; F209-N213 PolarHBondContact O-N 3.42Å; F209-N213 PolarHBondContact O-ND2 2.96Å; F209-N213 VanDerWaalsContact O-ND2 3.11Å; F210-N213 PolarHBondContact O-N 3.22Å; N213-S217 PolarHBondContact O-N 3.41Å; N213-T218 PolarHBondContact O-N 2.94Å; N213-S221 VanDerWaalsContact ND2-CA 3.32Å; N213-S221 WeakPolarHBondContact ND2-CA 3.23Å; N213-S221 WeakPolarHBondContact ND2-CB 3.36Å; N213-S221 PolarHBondContact ND2-OG 3.4Å; N213-W223 PolarHBondContact OD1-NE1 2.7Å |
| 214 | G | 89.2 | Confident | 87.3 | Confident | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.5 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F210 L211 S217 | F210-G214 PolarHBondContact O-N 3.17Å; L211-G214 PolarHBondContact O-N 2.9Å; G214-S217 PolarHBondContact O-N 3.33Å |
| 215 | F | 90.5 | Very high | 86.7 | Confident | 41 Ų | 41 | 55 Ų | 55 | 18% | 0.18 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -42 | -179.7 | 179.7 | -107.1 | 0 | 0 | 0 | 113.4 | Y98 W101 V102 V105 L211 M212 S217 Y278 | Y98-F215 HydrophobicContact CD2-CE1 4.15Å; Y98-F215 HydrophobicContact CG-CE1 4.36Å; Y98-F215 WeakPolarHBondContact O-CZ 3.16Å; W101-F215 HydrophobicContact CB-CE2 3.79Å; W101-F215 HydrophobicContact CB-CZ 4.09Å; V102-F215 HydrophobicContact CG2-CE1 3.9Å; V102-F215 HydrophobicContact CG2-CZ 3.93Å; V105-F215 HydrophobicContact CB-CE2 4.33Å; V105-F215 HydrophobicContact CB-CZ 4.34Å; V105-F215 HydrophobicContact CG2-CD2 3.8Å; V105-F215 HydrophobicContact CG2-CE2 3.5Å; V105-F215 VanDerWaalsContact CG2-CE2 3.5Å; V105-F215 HydrophobicContact CG2-CG 4.5Å; V105-F215 HydrophobicContact CG2-CZ 3.96Å; L211-F215 WeakPolarHBondContact O-CB 3.25Å; L211-F215 PolarHBondContact O-N 2.97Å; M212-F215 PolarHBondContact O-N 3.4Å; F215-S217 PolarHBondContact O-N 3.36Å; F215-Y278 HydrophobicContact CD1-CE1 4.26Å; F215-Y278 AromaticContact CD1-CZ 3.88Å; F215-Y278 WeakPolarHBondContact CD1-OH 3.32Å; F215-Y278 HydrophobicContact CE1-CE2 4.19Å; F215-Y278 AromaticContact CE1-CZ 3.69Å; F215-Y278 WeakPolarHBondContact CE1-OH 3.27Å |
| 216 | L | 86.9 | Confident | 86.1 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.8 | 176 | -66.3 | 170.5 | 0 | 0 | 0 | 112.9 | Y98 M212 T218 W223 F243 Y278 | Y98-L216 HydrophobicContact CD2-CD2 4.07Å; Y98-L216 HydrophobicContact CE2-CD2 4.13Å; Y98-L216 HydrophobicContact CG-CD2 4.34Å; M212-L216 HydrophobicContact CG-CD1 4.17Å; M212-L216 PolarHBondContact O-N 3.13Å; L216-T218 HydrophobicContact CB-CG2 3.88Å; L216-T218 PolarHBondContact O-N 2.96Å; L216-W223 HydrophobicContact CD1-CD2 4.45Å; L216-W223 HydrophobicContact CD1-CH2 3.85Å; L216-W223 HydrophobicContact CD1-CZ2 3.48Å; L216-W223 VanDerWaalsContact CD1-CZ2 3.48Å; L216-W223 HydrophobicContact CD1-CZ3 4.42Å; L216-F243 HydrophobicContact CD1-CZ 3.89Å; L216-F243 HydrophobicContact CD2-CE1 3.61Å; L216-F243 HydrophobicContact CD2-CZ 3.5Å; L216-F243 VanDerWaalsContact CD2-CZ 3.5Å; L216-F243 HydrophobicContact CG-CZ 4.34Å; L216-Y278 HydrophobicContact CD1-CD1 3.94Å; L216-Y278 HydrophobicContact CD1-CG 4.13Å; L216-Y278 HydrophobicContact CD2-CD2 4.45Å; L216-Y278 HydrophobicContact CD2-CG 4.5Å |
| 217 | S | 78 | Confident | 85.5 | Confident | 108 Ų | 108 | 56.4 Ų | 56.4 | 76% | 0.755 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 40.3 | -177.5 | -167.8 | 0 | 0 | 0 | 0 | 113.2 | N213 G214 F215 | N213-S217 PolarHBondContact O-N 3.41Å; G214-S217 PolarHBondContact O-N 3.33Å; F215-S217 PolarHBondContact O-N 3.36Å |
| 218 | T | 73.7 | Confident | 84.8 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.172 | 32% | 0.32 | C | S | . | . | trans | -89 | 140.5 | -179.8 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | N213 L216 Y220 W223 | N213-T218 PolarHBondContact O-N 2.94Å; L216-T218 HydrophobicContact CB-CG2 3.88Å; L216-T218 PolarHBondContact O-N 2.96Å; T218-Y220 VanDerWaalsContact C-N 3.27Å; T218-Y220 PolarHBondContact O-N 3.04Å; T218-W223 HydrophobicContact CG2-CB 4.28Å; T218-W223 HydrophobicContact CG2-CG 4.14Å; T218-W223 VanDerWaalsContact OG1-CD1 3.3Å | ||
| 219 | S | 70.7 | Confident | 84.3 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 79% | 0.79 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -73.9 | -15.1 | 179.8 | -51.2 | 0 | 0 | 0 | 0 | 114 | ||
| 220 | Y | 74.4 | Confident | 83.7 | Confident | 165 Ų | 165 | 61.3 Ų | 61.3 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | trans | -129.3 | 135.6 | -171.8 | -57.8 | -79.4 | 0 | 0 | 0 | 111.6 | T218 F222 | T218-Y220 VanDerWaalsContact C-N 3.27Å; T218-Y220 PolarHBondContact O-N 3.04Å; Y220-F222 VanDerWaalsContact C-N 3.29Å; Y220-F222 PolarHBondContact O-N 2.89Å | ||
| 221 | S | 76.3 | Confident | 83.1 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -25.1 | -178.6 | -170.5 | 0 | 0 | 0 | 0 | 114.3 | N213 W282 | N213-S221 VanDerWaalsContact ND2-CA 3.32Å; N213-S221 WeakPolarHBondContact ND2-CA 3.23Å; N213-S221 WeakPolarHBondContact ND2-CB 3.36Å; N213-S221 PolarHBondContact ND2-OG 3.4Å; S221-W282 PolarHBondContact O-NE1 3.34Å |
| 222 | F | 83 | Confident | 82.4 | Confident | 131 Ų | 131 | 60.2 Ų | 60.2 | 58% | 0.575 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 31.4 | -177.7 | -63.1 | -87.7 | 0 | 0 | 0 | 112.7 | Y220 G224 L225 W282 | Y220-F222 VanDerWaalsContact C-N 3.29Å; Y220-F222 PolarHBondContact O-N 2.89Å; F222-G224 PolarHBondContact O-N 3.05Å; F222-G224 VanDerWaalsContact O-N 3.14Å; F222-L225 HydrophobicContact CD1-CD1 4.37Å; F222-L225 PolarHBondContact O-N 3.23Å; F222-L225 VanDerWaalsContact O-N 3.15Å; F222-W282 HydrophobicContact CB-CZ2 4.38Å; F222-W282 HydrophobicContact CD1-CH2 4.37Å; F222-W282 AromaticContact CD1-CZ2 3.79Å; F222-W282 HydrophobicContact CD1-CZ2 3.79Å |
| 223 | W | 85 | Confident | 82 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.011 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.3 | -27 | -178.8 | 62 | -98.9 | 0 | 0 | 0 | 113.1 | M212 N213 L216 T218 L225 Q226 I227 Y278 L279 W282 | M212-W223 HydrophobicContact CE-CZ2 3.76Å; M212-W223 HydrophobicContact CG-CZ2 3.78Å; M212-W223 HydrophobicContact SD-CH2 4.36Å; M212-W223 HydrophobicContact SD-CZ2 3.63Å; N213-W223 PolarHBondContact OD1-NE1 2.7Å; L216-W223 HydrophobicContact CD1-CD2 4.45Å; L216-W223 HydrophobicContact CD1-CH2 3.85Å; L216-W223 HydrophobicContact CD1-CZ2 3.48Å; L216-W223 VanDerWaalsContact CD1-CZ2 3.48Å; L216-W223 HydrophobicContact CD1-CZ3 4.42Å; T218-W223 HydrophobicContact CG2-CB 4.28Å; T218-W223 HydrophobicContact CG2-CG 4.14Å; T218-W223 VanDerWaalsContact OG1-CD1 3.3Å; W223-L225 VanDerWaalsContact C-N 3.34Å; W223-L225 PolarHBondContact O-N 3.47Å; W223-Q226 WeakPolarHBondContact O-CB 3.4Å; W223-Q226 PolarHBondContact O-N 3.42Å; W223-I227 HydrophobicContact CE3-CD1 3.48Å; W223-I227 VanDerWaalsContact CE3-CD1 3.48Å; W223-I227 HydrophobicContact CE3-CG1 4.34Å; W223-I227 HydrophobicContact CZ3-CD1 3.72Å; W223-I227 WeakPolarHBondContact O-CG1 3.33Å; W223-I227 PolarHBondContact O-N 3.4Å; W223-Y278 WeakPolarHBondContact CH2-O 3.5Å; W223-L279 HydrophobicContact CZ3-CD2 4.22Å; W223-W282 AromaticContact CE2-CD1 3.8Å; W223-W282 HydrophobicContact CH2-CB 4Å; W223-W282 HydrophobicContact CH2-CG 4.46Å; W223-W282 HydrophobicContact CZ2-CB 4.19Å; W223-W282 AromaticContact CZ2-CD1 3.81Å; W223-W282 HydrophobicContact CZ2-CG 4.35Å |
| 224 | G | 84.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F222 L228 | F222-G224 PolarHBondContact O-N 3.05Å; F222-G224 VanDerWaalsContact O-N 3.14Å; G224-L228 PolarHBondContact O-N 2.91Å |
| 225 | L | 85.2 | Confident | 80.5 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 42% | 0.419 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.4 | -34.5 | 175 | -68.1 | 173.5 | 0 | 0 | 0 | 112.1 | F222 W223 L228 T229 W282 F283 | F222-L225 HydrophobicContact CD1-CD1 4.37Å; F222-L225 PolarHBondContact O-N 3.23Å; F222-L225 VanDerWaalsContact O-N 3.15Å; W223-L225 VanDerWaalsContact C-N 3.34Å; W223-L225 PolarHBondContact O-N 3.47Å; L225-L228 PolarHBondContact O-N 2.94Å; L225-T229 WeakPolarHBondContact O-CB 3.28Å; L225-T229 PolarHBondContact O-N 3.14Å; L225-T229 PolarHBondContact O-OG1 3.32Å; L225-W282 HydrophobicContact CD1-CH2 3.89Å; L225-W282 HydrophobicContact CD2-CH2 4Å; L225-W282 HydrophobicContact CD2-CZ3 4Å; L225-W282 HydrophobicContact CG-CH2 3.49Å; L225-W282 VanDerWaalsContact CG-CH2 3.49Å; L225-W282 HydrophobicContact CG-CZ2 4.18Å; L225-W282 HydrophobicContact CG-CZ3 3.92Å; L225-F283 HydrophobicContact CD2-CE1 4.16Å |
| 226 | Q | 82.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 70.4 Ų | 70.4 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 177 | -178 | -179 | -12 | 0 | 0 | 110.7 | W223 L228 T229 D230 | W223-Q226 WeakPolarHBondContact O-CB 3.4Å; W223-Q226 PolarHBondContact O-N 3.42Å; Q226-L228 VanDerWaalsContact C-N 3.25Å; Q226-L228 PolarHBondContact O-N 3.36Å; Q226-T229 CarbonylContact O-C 3.58Å; Q226-T229 WeakPolarHBondContact O-CA 3.47Å; Q226-T229 WeakPolarHBondContact O-CB 3.48Å; Q226-T229 PolarHBondContact O-N 2.89Å; Q226-D230 PolarHBondContact O-N 3.03Å |
| 227 | I | 82.9 | Confident | 79 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 177.9 | -63.6 | 177 | 0 | 0 | 0 | 111 | W223 T229 D230 L231 H242 F243 L279 | W223-I227 HydrophobicContact CE3-CD1 3.48Å; W223-I227 VanDerWaalsContact CE3-CD1 3.48Å; W223-I227 HydrophobicContact CE3-CG1 4.34Å; W223-I227 HydrophobicContact CZ3-CD1 3.72Å; W223-I227 WeakPolarHBondContact O-CG1 3.33Å; W223-I227 PolarHBondContact O-N 3.4Å; I227-T229 VanDerWaalsContact C-N 3.32Å; I227-T229 PolarHBondContact O-N 3.37Å; I227-D230 PolarHBondContact O-N 2.87Å; I227-L231 WeakPolarHBondContact O-CB 3.28Å; I227-L231 PolarHBondContact O-N 2.65Å; I227-H242 HydrophobicContact CD1-CB 4.43Å; I227-F243 HydrophobicContact CD1-CD2 4.34Å; I227-F243 HydrophobicContact CD1-CE2 4.03Å; I227-L279 HydrophobicContact CB-CD2 3.71Å; I227-L279 HydrophobicContact CD1-CD2 4.05Å; I227-L279 HydrophobicContact CG1-CD2 4.46Å; I227-L279 HydrophobicContact CG2-CD1 3.81Å; I227-L279 HydrophobicContact CG2-CD2 3.61Å; I227-L279 HydrophobicContact CG2-CG 4.19Å |
| 228 | L | 81.6 | Confident | 78.7 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 47% | 0.466 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.1 | -175.3 | 63.7 | 0 | 0 | 0 | 111.8 | G224 L225 Q226 L231 A232 F283 | G224-L228 PolarHBondContact O-N 2.91Å; L225-L228 PolarHBondContact O-N 2.94Å; Q226-L228 VanDerWaalsContact C-N 3.25Å; Q226-L228 PolarHBondContact O-N 3.36Å; L228-L231 PolarHBondContact O-N 3.1Å; L228-A232 VanDerWaalsContact O-CB 3.3Å; L228-A232 WeakPolarHBondContact O-CB 3.31Å; L228-A232 PolarHBondContact O-N 3.02Å; L228-F283 HydrophobicContact CB-CZ 4.46Å; L228-F283 HydrophobicContact CD2-CZ 3.92Å |
| 229 | T | 83.5 | Confident | 78.6 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | L225 Q226 I227 A232 N233 | L225-T229 WeakPolarHBondContact O-CB 3.28Å; L225-T229 PolarHBondContact O-N 3.14Å; L225-T229 PolarHBondContact O-OG1 3.32Å; Q226-T229 CarbonylContact O-C 3.58Å; Q226-T229 WeakPolarHBondContact O-CA 3.47Å; Q226-T229 WeakPolarHBondContact O-CB 3.48Å; Q226-T229 PolarHBondContact O-N 2.89Å; I227-T229 VanDerWaalsContact C-N 3.32Å; I227-T229 PolarHBondContact O-N 3.37Å; T229-A232 PolarHBondContact O-N 2.99Å; T229-N233 WeakPolarHBondContact O-CB 3.27Å; T229-N233 VanDerWaalsContact O-CG 3.26Å; T229-N233 PolarHBondContact O-N 3.27Å; T229-N233 PolarHBondContact O-ND2 2.87Å |
| 230 | D | 82.1 | Confident | 78.8 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.053 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 174.7 | -71.4 | -25.2 | 0 | 0 | 0 | 110.6 | Q226 I227 N233 G234 R235 | Q226-D230 PolarHBondContact O-N 3.03Å; I227-D230 PolarHBondContact O-N 2.87Å; D230-N233 CarbonylContact O-C 3.57Å; D230-N233 PolarHBondContact O-N 3.29Å; D230-G234 PolarHBondContact O-N 2.69Å; D230-G234 VanDerWaalsContact O-N 3.16Å; D230-R235 HydrophobicContact CB-CB 4.19Å; D230-R235 PolarHBondContact O-N 3.05Å; D230-R235 IonicContact OD1-CZ 3.54Å; D230-R235 IonicContact OD1-NE 3.74Å; D230-R235 PolarHBondContact OD1-NE 3.4Å; D230-R235 IonicContact OD1-NH2 3.46Å; D230-R235 PolarHBondContact OD1-NH2 2.99Å |
| 231 | L | 79.6 | Confident | 78.9 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 177.4 | -170.7 | 62.7 | 0 | 0 | 0 | 112.1 | I227 L228 N233 G234 | I227-L231 WeakPolarHBondContact O-CB 3.28Å; I227-L231 PolarHBondContact O-N 2.65Å; L228-L231 PolarHBondContact O-N 3.1Å; L231-N233 VanDerWaalsContact C-N 3.28Å; L231-N233 PolarHBondContact O-N 3.36Å; L231-G234 PolarHBondContact O-N 3.39Å; L231-G234 VanDerWaalsContact O-N 3.12Å |
| 232 | A | 78.3 | Confident | 79.2 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 69% | 0.686 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.6 | -32.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L228 T229 G234 | L228-A232 VanDerWaalsContact O-CB 3.3Å; L228-A232 WeakPolarHBondContact O-CB 3.31Å; L228-A232 PolarHBondContact O-N 3.02Å; T229-A232 PolarHBondContact O-N 2.99Å; A232-G234 VanDerWaalsContact C-N 3.29Å |
| 233 | N | 82.9 | Confident | 79.5 | Confident | 104 Ų | 104 | 54.8 Ų | 54.8 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 1.4 | 175.2 | -68.7 | -42.6 | 0 | 0 | 0 | 113.4 | T229 D230 L231 R235 | T229-N233 WeakPolarHBondContact O-CB 3.27Å; T229-N233 VanDerWaalsContact O-CG 3.26Å; T229-N233 PolarHBondContact O-N 3.27Å; T229-N233 PolarHBondContact O-ND2 2.87Å; D230-N233 CarbonylContact O-C 3.57Å; D230-N233 PolarHBondContact O-N 3.29Å; L231-N233 VanDerWaalsContact C-N 3.28Å; L231-N233 PolarHBondContact O-N 3.36Å; N233-R235 VanDerWaalsContact C-N 3.29Å; N233-R235 PolarHBondContact O-N 3.35Å |
| 234 | G | 73.3 | Confident | 79.8 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 19.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D230 L231 A232 | D230-G234 PolarHBondContact O-N 2.69Å; D230-G234 VanDerWaalsContact O-N 3.16Å; L231-G234 PolarHBondContact O-N 3.39Å; L231-G234 VanDerWaalsContact O-N 3.12Å; A232-G234 VanDerWaalsContact C-N 3.29Å |
| 235 | R | 74.8 | Confident | 80.1 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 45% | 0.445 | 32% | 0.315 | S | S | . | . | trans | -78 | 120.7 | 170.9 | -69.3 | -165.3 | -75.6 | -110.8 | 3.5 | 109.3 | D230 N233 | D230-R235 HydrophobicContact CB-CB 4.19Å; D230-R235 PolarHBondContact O-N 3.05Å; D230-R235 IonicContact OD1-CZ 3.54Å; D230-R235 IonicContact OD1-NE 3.74Å; D230-R235 PolarHBondContact OD1-NE 3.4Å; D230-R235 IonicContact OD1-NH2 3.46Å; D230-R235 PolarHBondContact OD1-NH2 2.99Å; N233-R235 VanDerWaalsContact C-N 3.29Å; N233-R235 PolarHBondContact O-N 3.35Å | ||
| 236 | E | 72.3 | Confident | 80.4 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -89.8 | 170.4 | 179.5 | -69.7 | 177.7 | -158.5 | 0 | 0 | 111.3 | P238 D239 S240 K536 | E236-P238 VanDerWaalsContact C-N 3.29Å; E236-P238 VanDerWaalsContact CB-CD 3.47Å; E236-P238 WeakPolarHBondContact O-CD 3.4Å; E236-D239 PolarHBondContact O-N 3.49Å; E236-D239 VanDerWaalsContact O-N 3.1Å; E236-S240 PolarHBondContact O-N 3.42Å; E236-K536 WeakPolarHBondContact OE1-CE 3.44Å; E236-K536 IonicContact OE1-NZ 3.34Å | ||
| 237 | W | 74.7 | Confident | 80.9 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.9 | -31.7 | 177.8 | 74.3 | -93.5 | 0 | 0 | 0 | 115.5 | F77 F80 D239 G241 P244 R245 V246 | F77-W237 HydrophobicContact CD2-CZ3 4.08Å; F77-W237 HydrophobicContact CE2-CE3 4.17Å; F77-W237 AromaticContact CE2-CZ3 3.54Å; F77-W237 HydrophobicContact CE2-CZ3 3.54Å; F77-W237 HydrophobicContact CZ-CZ3 4.37Å; F80-W237 HydrophobicContact CE2-CH2 4.45Å; W237-D239 PolarHBondContact O-N 2.96Å; W237-G241 PolarHBondContact O-N 3.34Å; W237-P244 HydrophobicContact CE3-CB 4.1Å; W237-P244 HydrophobicContact CZ3-CB 4.09Å; W237-R245 HydrophobicContact CD2-CB 4.34Å; W237-R245 HydrophobicContact CD2-CG 4.21Å; W237-R245 HydrophobicContact CG-CG 4.19Å; W237-R245 HydrophobicContact CZ2-CB 4.21Å; W237-V246 HydrophobicContact CH2-CB 3.65Å; W237-V246 HydrophobicContact CH2-CG2 3.76Å; W237-V246 HydrophobicContact CZ2-CB 4.23Å; W237-V246 HydrophobicContact CZ2-CG2 3.8Å |
| 238 | P | 72.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -30.2 | 178.2 | -21.1 | 34.6 | 0 | 0 | 0 | 112.8 | E236 | E236-P238 VanDerWaalsContact C-N 3.29Å; E236-P238 VanDerWaalsContact CB-CD 3.47Å; E236-P238 WeakPolarHBondContact O-CD 3.4Å |
| 239 | D | 70.2 | Confident | 82 | Confident | 119 Ų | 119 | 44.5 Ų | 44.5 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -88.4 | -38.6 | -177.1 | -56.5 | -41.5 | 0 | 0 | 0 | 111.4 | E236 W237 | E236-D239 PolarHBondContact O-N 3.49Å; E236-D239 VanDerWaalsContact O-N 3.1Å; W237-D239 PolarHBondContact O-N 2.96Å |
| 240 | S | 75.7 | Confident | 82.4 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -82.3 | -25.6 | -176.4 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | E236 H242 | E236-S240 PolarHBondContact O-N 3.42Å; S240-H242 PolarHBondContact O-N 3.36Å; S240-H242 VanDerWaalsContact O-N 3.08Å; S240-H242 PolarHBondContact OG-N 3.46Å |
| 241 | G | 77.1 | Confident | 82.9 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 27% | 0.268 | 24% | 0.241 | S | C | . | . | trans | 67.5 | -0.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F77 W237 | F77-G241 VanDerWaalsContact CE1-CA 3.47Å; W237-G241 PolarHBondContact O-N 3.34Å | ||
| 242 | H | 82.3 | Confident | 83.4 | Confident | 52 Ų | 52 | 40.1 Ų | 40.1 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -78.8 | 131.8 | 173.2 | -68.4 | -62.3 | 0 | 0 | 0 | 109.9 | I227 S240 | I227-H242 HydrophobicContact CD1-CB 4.43Å; S240-H242 PolarHBondContact O-N 3.36Å; S240-H242 VanDerWaalsContact O-N 3.08Å; S240-H242 PolarHBondContact OG-N 3.46Å |
| 243 | F | 88.6 | Confident | 84 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.044 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 48.5 | 61.7 | -178.9 | -59.6 | -85.7 | 0 | 0 | 0 | 114.5 | Y98 L216 I227 R245 N271 N274 E275 Y278 | Y98-F243 AromaticContact CE2-CD1 3.95Å; Y98-F243 HydrophobicContact CE2-CD1 3.95Å; Y98-F243 AromaticContact CE2-CE1 3.86Å; Y98-F243 HydrophobicContact CE2-CE1 3.86Å; Y98-F243 AromaticContact CZ-CD1 3.83Å; Y98-F243 WeakPolarHBondContact OH-CA 3.32Å; Y98-F243 WeakPolarHBondContact OH-CD1 3.35Å; L216-F243 HydrophobicContact CD1-CZ 3.89Å; L216-F243 HydrophobicContact CD2-CE1 3.61Å; L216-F243 HydrophobicContact CD2-CZ 3.5Å; L216-F243 VanDerWaalsContact CD2-CZ 3.5Å; L216-F243 HydrophobicContact CG-CZ 4.34Å; I227-F243 HydrophobicContact CD1-CD2 4.34Å; I227-F243 HydrophobicContact CD1-CE2 4.03Å; F243-R245 PolarHBondContact O-N 3.3Å; F243-N271 WeakPolarHBondContact CA-ND2 3.33Å; F243-N271 WeakPolarHBondContact CD1-OD1 2.92Å; F243-N274 HydrophobicContact CD1-CB 4.05Å; F243-N274 HydrophobicContact CE1-CB 4.04Å; F243-E275 HydrophobicContact CB-CB 3.69Å; F243-E275 HydrophobicContact CB-CG 3.9Å; F243-E275 HydrophobicContact CD1-CB 4.14Å; F243-E275 HydrophobicContact CD2-CB 3.97Å; F243-E275 HydrophobicContact CD2-CG 3.79Å; F243-E275 HydrophobicContact CG-CB 3.67Å; F243-E275 HydrophobicContact CG-CG 3.95Å; F243-Y278 HydrophobicContact CE1-CD2 4.11Å; F243-Y278 HydrophobicContact CZ-CD2 4.27Å; F243-Y278 HydrophobicContact CZ-CG 4.25Å |
| 244 | P | 90.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | trans | -63.3 | 135.8 | -178 | 26.8 | -33.4 | 0 | 0 | 0 | 111.5 | F77 I96 W237 T247 N271 | F77-P244 HydrophobicContact CB-CB 3.84Å; F77-P244 HydrophobicContact CB-CG 3.78Å; F77-P244 HydrophobicContact CD1-CB 4.44Å; F77-P244 HydrophobicContact CD2-CB 3.49Å; F77-P244 VanDerWaalsContact CD2-CB 3.49Å; F77-P244 HydrophobicContact CD2-CG 4.37Å; F77-P244 HydrophobicContact CE2-CB 4.21Å; F77-P244 HydrophobicContact CG-CB 3.64Å; F77-P244 HydrophobicContact CG-CG 4.05Å; I96-P244 HydrophobicContact CD1-CG 3.4Å; W237-P244 HydrophobicContact CE3-CB 4.1Å; W237-P244 HydrophobicContact CZ3-CB 4.09Å; P244-T247 HydrophobicContact CB-CG2 4.16Å; P244-T247 HydrophobicContact CG-CG2 4.11Å; P244-N271 WeakPolarHBondContact CD-ND2 3.49Å; P244-N271 PolarHBondContact O-ND2 2.92Å | ||
| 245 | R | 91.2 | Very high | 85 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -102.2 | -16.1 | -177.5 | -50.3 | -174 | -170.7 | 163.1 | 0.6 | 112.9 | W237 F243 V267 L268 E275 I516 | W237-R245 HydrophobicContact CD2-CB 4.34Å; W237-R245 HydrophobicContact CD2-CG 4.21Å; W237-R245 HydrophobicContact CG-CG 4.19Å; W237-R245 HydrophobicContact CZ2-CB 4.21Å; F243-R245 PolarHBondContact O-N 3.3Å; R245-V267 WeakPolarHBondContact O-CA 3.24Å; R245-L268 PolarHBondContact O-N 3.44Å; R245-E275 IonicContact CZ-OE2 3.32Å; R245-E275 IonicContact NE-OE2 3.94Å; R245-E275 PolarHBondContact NE-OE2 3.2Å; R245-E275 IonicContact NH2-OE1 2.69Å; R245-E275 IonicContact NH2-OE2 3.9Å; R245-E275 PolarHBondContact NH2-OE2 3.49Å; R245-I516 HydrophobicContact CB-CG2 3.84Å; R245-I516 HydrophobicContact CG-CG2 4.14Å; R245-I516 PolarHBondContact NH1-O 3.09Å |
| 246 | V | 92.5 | Very high | 85.6 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.2 | 168.9 | -172.7 | 0 | 0 | 0 | 0 | 107.5 | F80 W237 Q265 C266 V267 Y513 | F80-V246 HydrophobicContact CZ-CG1 4.22Å; W237-V246 HydrophobicContact CH2-CB 3.65Å; W237-V246 HydrophobicContact CH2-CG2 3.76Å; W237-V246 HydrophobicContact CZ2-CB 4.23Å; W237-V246 HydrophobicContact CZ2-CG2 3.8Å; V246-Q265 HydrophobicContact CG1-CG 3.52Å; V246-C266 CarbonylContact C-O 3.55Å; V246-C266 VanDerWaalsContact CA-O 3.31Å; V246-C266 WeakPolarHBondContact CA-O 3.46Å; V246-C266 WeakPolarHBondContact CG1-O 3.31Å; V246-V267 HydrophobicContact CG2-CG2 4.42Å; V246-Y513 HydrophobicContact CG2-CD2 3.91Å; V246-Y513 HydrophobicContact CG2-CE2 3.69Å |
| 247 | T | 92.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 166.3 | -177.6 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | T75 Y76 P244 C266 | T75-T247 WeakPolarHBondContact CB-OG1 3.44Å; T75-T247 WeakPolarHBondContact OG1-CB 3.48Å; T75-T247 PolarHBondContact OG1-OG1 2.95Å; Y76-T247 WeakPolarHBondContact O-CA 3.46Å; Y76-T247 WeakPolarHBondContact O-CB 3.48Å; P244-T247 HydrophobicContact CB-CG2 4.16Å; P244-T247 HydrophobicContact CG-CG2 4.11Å; T247-C266 PolarHBondContact N-O 3.32Å; T247-C266 PolarHBondContact O-N 2.92Å |
| 248 | L | 93.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 147.5 | 173.8 | -64.7 | 172.1 | 0 | 0 | 0 | 109.2 | T75 Y76 L78 V84 V264 Q265 | T75-L248 CarbonylContact C-O 3.58Å; T75-L248 WeakPolarHBondContact CA-O 3.32Å; T75-L248 WeakPolarHBondContact CB-O 3.36Å; Y76-L248 HydrophobicContact CD1-CB 4.26Å; Y76-L248 WeakPolarHBondContact CD1-O 3.5Å; Y76-L248 HydrophobicContact CD2-CB 3.98Å; Y76-L248 HydrophobicContact CD2-CD1 4.4Å; Y76-L248 HydrophobicContact CE1-CB 3.77Å; Y76-L248 WeakPolarHBondContact CE1-O 3.04Å; Y76-L248 HydrophobicContact CE2-CB 3.47Å; Y76-L248 VanDerWaalsContact CE2-CB 3.47Å; Y76-L248 HydrophobicContact CE2-CD1 3.6Å; Y76-L248 HydrophobicContact CE2-CG 4.16Å; Y76-L248 HydrophobicContact CG-CB 4.35Å; Y76-L248 PolarHBondContact N-O 2.91Å; Y76-L248 PolarHBondContact O-N 2.98Å; L78-L248 HydrophobicContact CB-CD1 4.04Å; L78-L248 HydrophobicContact CD2-CD1 4.1Å; V84-L248 HydrophobicContact CG2-CD1 4.11Å; L248-V264 WeakPolarHBondContact CA-O 3.23Å; L248-Q265 HydrophobicContact CD2-CB 3.98Å; L248-Q265 HydrophobicContact CD2-CG 4.27Å |
| 249 | C | 94.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.4 | 177.4 | 171.1 | 0 | 0 | 0 | 0 | 109.2 | C70 T75 T263 V264 | C70-C249 WeakPolarHBondContact CA-SG 3.44Å; C70-C249 HydrophobicContact CB-CB 3.61Å; C70-C249 WeakPolarHBondContact CB-SG 3.45Å; C70-C249 WeakPolarHBondContact SG-CB 3.12Å; C70-C249 CovalentContact SG-SG 2.03Å; C70-C249 PolarHBondContact SG-SG 3.31Å; T75-C249 HydrophobicContact CG2-CB 4.02Å; C249-T263 CarbonylContact O-C 3.56Å; C249-T263 VanDerWaalsContact O-CA 3.3Å; C249-T263 WeakPolarHBondContact O-CA 3.35Å; C249-V264 HydrophobicContact CB-CG2 3.94Å; C249-V264 PolarHBondContact N-O 3.02Å; C249-V264 PolarHBondContact O-N 3.22Å |
| 250 | D | 92.3 | Very high | 88.8 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.134 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.2 | 172.7 | -64 | -19.1 | 0 | 0 | 0 | 108.9 | Y76 R91 R261 H262 T263 | Y76-D250 HydrophobicContact CE1-CB 4.48Å; Y76-D250 PolarHBondContact OH-OD1 2.91Å; Y76-D250 PolarHBondContact OH-OD2 2.96Å; R91-D250 WeakPolarHBondContact CD-OD2 3.27Å; R91-D250 IonicContact CZ-OD2 2.83Å; R91-D250 IonicContact NE-OD2 3.58Å; R91-D250 IonicContact NH1-OD1 2.83Å; R91-D250 PolarHBondContact NH1-OD1 3.13Å; R91-D250 IonicContact NH1-OD2 3.97Å; R91-D250 PolarHBondContact NH1-OD2 2.91Å; D250-R261 IonicContact OD2-CZ 3.14Å; D250-R261 IonicContact OD2-NE 2.99Å; D250-R261 IonicContact OD2-NH2 2.69Å; D250-R261 PolarHBondContact OD2-NH2 2.64Å; D250-H262 WeakPolarHBondContact CA-O 3.43Å; D250-T263 WeakPolarHBondContact OD1-CB 3.49Å; D250-T263 WeakPolarHBondContact OD1-CG2 3.06Å; D250-T263 PolarHBondContact OD1-OG1 3.31Å |
| 251 | F | 90.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.3 | 175 | 66.7 | -87.6 | 0 | 0 | 0 | 111.5 | F58 A66 Y69 I253 H262 V264 | F58-F251 HydrophobicContact CD2-CZ 4.41Å; F58-F251 AromaticContact CE2-CE2 3.96Å; F58-F251 HydrophobicContact CE2-CE2 3.96Å; F58-F251 AromaticContact CE2-CZ 3.76Å; F58-F251 HydrophobicContact CE2-CZ 3.76Å; A66-F251 HydrophobicContact CB-CE1 3.97Å; A66-F251 HydrophobicContact CB-CE2 4.32Å; A66-F251 HydrophobicContact CB-CZ 3.71Å; Y69-F251 HydrophobicContact CD1-CB 3.3Å; Y69-F251 HydrophobicContact CD1-CG 4.26Å; Y69-F251 HydrophobicContact CE1-CB 3.14Å; Y69-F251 HydrophobicContact CE1-CG 4.45Å; Y69-F251 HydrophobicContact CG-CB 4.09Å; F251-I253 HydrophobicContact CD2-CG1 4.1Å; F251-I253 HydrophobicContact CE2-CD1 3.95Å; F251-I253 HydrophobicContact CE2-CG1 3.97Å; F251-H262 HydrophobicContact CD1-CB 4.22Å; F251-H262 HydrophobicContact CD2-CB 4.37Å; F251-H262 HydrophobicContact CE1-CB 3.78Å; F251-H262 HydrophobicContact CE2-CB 3.94Å; F251-H262 HydrophobicContact CZ-CB 3.63Å; F251-H262 PolarHBondContact N-O 3.25Å; F251-H262 PolarHBondContact O-N 3.31Å; F251-V264 HydrophobicContact CD1-CG2 4.25Å; F251-V264 HydrophobicContact CE1-CB 4.44Å; F251-V264 HydrophobicContact CE1-CG1 3.74Å; F251-V264 HydrophobicContact CE1-CG2 3.82Å; F251-V264 HydrophobicContact CZ-CG1 4.39Å |
| 252 | D | 90.9 | Very high | 90.2 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.5 | -176.3 | -64.7 | -31.3 | 0 | 0 | 0 | 110 | V259 H260 R261 | D252-V259 HydrophobicContact CB-CG1 3.76Å; D252-H260 WeakPolarHBondContact CA-O 3.28Å; D252-R261 WeakPolarHBondContact OD1-CA 3.32Å; D252-R261 WeakPolarHBondContact OD1-CB 3.5Å; D252-R261 VanDerWaalsContact OD1-CG 3.24Å; D252-R261 WeakPolarHBondContact OD1-CG 3.45Å |
| 253 | I | 90.6 | Very high | 90.6 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 22% | 0.221 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.1 | 169.3 | -61.4 | 176 | 0 | 0 | 0 | 108 | F58 F251 V259 H260 | F58-I253 HydrophobicContact CE1-CD1 4.48Å; F58-I253 HydrophobicContact CE2-CD1 3.96Å; F58-I253 HydrophobicContact CZ-CD1 3.53Å; F251-I253 HydrophobicContact CD2-CG1 4.1Å; F251-I253 HydrophobicContact CE2-CD1 3.95Å; F251-I253 HydrophobicContact CE2-CG1 3.97Å; I253-V259 WeakPolarHBondContact O-CA 3.46Å; I253-H260 PolarHBondContact N-O 2.95Å; I253-H260 PolarHBondContact O-N 3.01Å |
| 254 | R | 90.4 | Very high | 90.8 | Very high | 217 Ų | 217 | 57.3 Ų | 57.3 | 82% | 0.819 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.7 | 175.2 | -64.6 | -175.3 | 176.9 | 177.6 | -1.2 | 109.4 | V259 | R254-V259 HydrophobicContact CG-CG2 4.3Å |
| 255 | D | 87.8 | Confident | 91 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 163.6 | 165.9 | -68.7 | -35 | 0 | 0 | 0 | 109.3 | G257 N258 H260 | D255-G257 PolarHBondContact O-N 2.88Å; D255-N258 PolarHBondContact N-O 3.37Å; D255-N258 PolarHBondContact O-N 2.76Å; D255-N258 VanDerWaalsContact O-N 3.17Å; D255-H260 IonicContact OD2-CD2 2.7Å; D255-H260 PolarHBondContact OD2-CD2 3.48Å; D255-H260 IonicContact OD2-NE2 3.12Å |
| 256 | L | 86.2 | Confident | 91.2 | Very high | 183 Ų | 183 | 56.4 Ų | 56.4 | 96% | 0.958 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 109.5 | 179.6 | -74.4 | 116.6 | 0 | 0 | 0 | 110.5 | ||
| 257 | G | 86.6 | Confident | 91.2 | Very high | 80 Ų | 80 | 56 Ų | 56 | 83% | 0.825 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -11.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D255 | D255-G257 PolarHBondContact O-N 2.88Š|
| 258 | N | 91.5 | Very high | 91.2 | Very high | 102 Ų | 102 | 55.9 Ų | 55.9 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.7 | -176.9 | -72.7 | -35.8 | 0 | 0 | 0 | 112.6 | D255 | D255-N258 PolarHBondContact N-O 3.37Å; D255-N258 PolarHBondContact O-N 2.76Å; D255-N258 VanDerWaalsContact O-N 3.17Å |
| 259 | V | 90.5 | Very high | 91 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.6 | 172.2 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | D252 I253 R254 | D252-V259 HydrophobicContact CB-CG1 3.76Å; I253-V259 WeakPolarHBondContact O-CA 3.46Å; R254-V259 HydrophobicContact CG-CG2 4.3Å |
| 260 | H | 89.2 | Confident | 90.7 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 39% | 0.394 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.6 | 178.8 | -66.7 | -67.6 | 0 | 0 | 0 | 110 | D252 I253 D255 | D252-H260 WeakPolarHBondContact CA-O 3.28Å; I253-H260 PolarHBondContact N-O 2.95Å; I253-H260 PolarHBondContact O-N 3.01Å; D255-H260 IonicContact OD2-CD2 2.7Å; D255-H260 PolarHBondContact OD2-CD2 3.48Å; D255-H260 IonicContact OD2-NE2 3.12Å |
| 261 | R | 89.5 | Confident | 90.6 | Very high | 82 Ų | 82 | 55 Ų | 55 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.3 | 175.5 | -177.5 | 165.9 | 167.5 | 148.9 | -8.9 | 110.8 | I88 D250 D252 | I88-R261 VanDerWaalsContact CG2-NH1 3.27Å; D250-R261 IonicContact OD2-CZ 3.14Å; D250-R261 IonicContact OD2-NE 2.99Å; D250-R261 IonicContact OD2-NH2 2.69Å; D250-R261 PolarHBondContact OD2-NH2 2.64Å; D252-R261 WeakPolarHBondContact OD1-CA 3.32Å; D252-R261 WeakPolarHBondContact OD1-CB 3.5Å; D252-R261 VanDerWaalsContact OD1-CG 3.24Å; D252-R261 WeakPolarHBondContact OD1-CG 3.45Å |
| 262 | H | 91.5 | Very high | 90.3 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.7 | 174.1 | -68.6 | -79.4 | 0 | 0 | 0 | 110.1 | F58 D250 F251 | F58-H262 AromaticContact CZ-NE2 3.88Å; D250-H262 WeakPolarHBondContact CA-O 3.43Å; F251-H262 HydrophobicContact CD1-CB 4.22Å; F251-H262 HydrophobicContact CD2-CB 4.37Å; F251-H262 HydrophobicContact CE1-CB 3.78Å; F251-H262 HydrophobicContact CE2-CB 3.94Å; F251-H262 HydrophobicContact CZ-CB 3.63Å; F251-H262 PolarHBondContact N-O 3.25Å; F251-H262 PolarHBondContact O-N 3.31Å |
| 263 | T | 91.8 | Very high | 90.1 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.2 | 168.4 | -63 | 0 | 0 | 0 | 0 | 108.3 | R91 C249 D250 M696 | R91-T263 PolarHBondContact NH1-OG1 3Å; R91-T263 VanDerWaalsContact NH1-OG1 3.08Å; C249-T263 CarbonylContact O-C 3.56Å; C249-T263 VanDerWaalsContact O-CA 3.3Å; C249-T263 WeakPolarHBondContact O-CA 3.35Å; D250-T263 WeakPolarHBondContact OD1-CB 3.49Å; D250-T263 WeakPolarHBondContact OD1-CG2 3.06Å; D250-T263 PolarHBondContact OD1-OG1 3.31Å; T263-M696 HydrophobicContact CG2-CE 4.48Å; T263-M696 VanDerWaalsContact OG1-CE 3.22Å; T263-M696 WeakPolarHBondContact OG1-CE 3.14Å |
| 264 | V | 93.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.3 | -179.6 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | C52 W53 V54 L248 C249 F251 | C52-V264 HydrophobicContact CB-CG2 4.26Å; W53-V264 WeakPolarHBondContact O-CB 3.18Å; V54-V264 HydrophobicContact CG1-CG1 4.36Å; L248-V264 WeakPolarHBondContact CA-O 3.23Å; C249-V264 HydrophobicContact CB-CG2 3.94Å; C249-V264 PolarHBondContact N-O 3.02Å; C249-V264 PolarHBondContact O-N 3.22Å; F251-V264 HydrophobicContact CD1-CG2 4.25Å; F251-V264 HydrophobicContact CE1-CB 4.44Å; F251-V264 HydrophobicContact CE1-CG1 3.74Å; F251-V264 HydrophobicContact CE1-CG2 3.82Å; F251-V264 HydrophobicContact CZ-CG1 4.39Å |
| 265 | Q | 94 | Very high | 90 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128 | 175.1 | -175.6 | 173.8 | -49.5 | 0 | 0 | 109.5 | C52 W53 V246 L248 Y509 E692 | C52-Q265 CarbonylContact C-O 3.59Å; C52-Q265 WeakPolarHBondContact CA-O 3.41Å; W53-Q265 PolarHBondContact N-O 3.41Å; V246-Q265 HydrophobicContact CG1-CG 3.52Å; L248-Q265 HydrophobicContact CD2-CB 3.98Å; L248-Q265 HydrophobicContact CD2-CG 4.27Å; Q265-Y509 HydrophobicContact CG-CE2 4.44Å; Q265-Y509 WeakPolarHBondContact CG-OH 3.32Å; Q265-Y509 PolarHBondContact NE2-OH 3.04Å; Q265-Y509 VanDerWaalsContact O-CE2 3.27Å; Q265-Y509 WeakPolarHBondContact O-CE2 3.18Å; Q265-E692 PolarHBondContact NE2-O 2.82Å |
| 266 | C | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.3 | -176.7 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | I50 Q51 C52 V246 T247 | I50-C266 HydrophobicContact CD1-CB 3.7Å; I50-C266 HydrophobicContact CG1-CB 3.78Å; Q51-C266 CarbonylContact O-C 3.58Å; Q51-C266 VanDerWaalsContact O-CA 3.29Å; Q51-C266 WeakPolarHBondContact O-CA 3.47Å; C52-C266 HydrophobicContact CB-CB 4.11Å; C52-C266 WeakPolarHBondContact CB-SG 3.42Å; C52-C266 WeakPolarHBondContact SG-CB 3.34Å; C52-C266 CovalentContact SG-SG 2.04Å; C52-C266 PolarHBondContact SG-SG 3.32Å; V246-C266 CarbonylContact C-O 3.55Å; V246-C266 VanDerWaalsContact CA-O 3.31Å; V246-C266 WeakPolarHBondContact CA-O 3.46Å; V246-C266 WeakPolarHBondContact CG1-O 3.31Å; T247-C266 PolarHBondContact N-O 3.32Å; T247-C266 PolarHBondContact O-N 2.92Å |
| 267 | V | 94.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.2 | 170.5 | 170.7 | 0 | 0 | 0 | 0 | 107.9 | I50 Q51 R245 V246 M269 Y509 N512 Y513 I516 | I50-V267 WeakPolarHBondContact CA-O 3.25Å; Q51-V267 PolarHBondContact N-O 3.02Å; Q51-V267 PolarHBondContact O-N 3.27Å; R245-V267 WeakPolarHBondContact O-CA 3.24Å; V246-V267 HydrophobicContact CG2-CG2 4.42Å; V267-M269 HydrophobicContact CG1-CG 4.39Å; V267-Y509 HydrophobicContact CB-CE2 4.27Å; V267-Y509 HydrophobicContact CG2-CD2 3.93Å; V267-Y509 HydrophobicContact CG2-CE1 4.43Å; V267-Y509 HydrophobicContact CG2-CE2 3.42Å; V267-Y509 VanDerWaalsContact CG2-CE2 3.42Å; V267-N512 HydrophobicContact CG1-CB 3.99Å; V267-Y513 HydrophobicContact CG2-CD2 3.97Å; V267-Y513 HydrophobicContact CG2-CG 4.42Å; V267-I516 HydrophobicContact CG1-CD1 3.39Å |
| 268 | L | 92.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 82.9 | -177 | -170.8 | 65.7 | 0 | 0 | 0 | 109.9 | I50 Y99 R245 I270 N271 | I50-L268 HydrophobicContact CB-CD1 4.35Å; I50-L268 HydrophobicContact CD1-CD1 4.34Å; I50-L268 HydrophobicContact CG1-CD1 4.34Å; Y99-L268 HydrophobicContact CD1-CD2 3.51Å; Y99-L268 HydrophobicContact CD2-CD1 4.12Å; Y99-L268 HydrophobicContact CD2-CD2 4.3Å; Y99-L268 HydrophobicContact CE1-CD2 3.71Å; Y99-L268 HydrophobicContact CE2-CD1 4.1Å; Y99-L268 HydrophobicContact CG-CD1 4.44Å; Y99-L268 HydrophobicContact CG-CD2 3.82Å; R245-L268 PolarHBondContact O-N 3.44Å; L268-I270 VanDerWaalsContact C-N 3.26Å; L268-I270 HydrophobicContact CD1-CG2 3.62Å; L268-I270 HydrophobicContact CD2-CG2 4.48Å; L268-I270 HydrophobicContact CG-CG2 3.79Å; L268-I270 PolarHBondContact O-N 3.08Å; L268-N271 HydrophobicContact CD2-CB 3.85Å; L268-N271 HydrophobicContact CG-CB 4.03Å; L268-N271 PolarHBondContact O-N 2.75Å |
| 269 | M | 88.2 | Confident | 90.3 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 7% | 0.069 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -36.2 | -176.3 | -56.3 | -163.4 | 82.8 | 0 | 0 | 112.8 | K43 P49 V267 N271 M272 N512 F515 I516 | K43-M269 PolarHBondContact NZ-SD 3.34Å; P49-M269 PolarHBondContact O-N 3.23Å; V267-M269 HydrophobicContact CG1-CG 4.39Å; M269-N271 PolarHBondContact O-N 3.35Å; M269-M272 WeakPolarHBondContact O-CB 3.34Å; M269-M272 PolarHBondContact O-N 2.86Å; M269-N512 HydrophobicContact CE-CB 4.37Å; M269-N512 VanDerWaalsContact CE-OD1 3.26Å; M269-N512 WeakPolarHBondContact CE-OD1 3.27Å; M269-N512 HydrophobicContact CG-CB 4.31Å; M269-N512 HydrophobicContact SD-CB 4.24Å; M269-N512 PolarHBondContact SD-OD1 3.31Å; M269-F515 HydrophobicContact CE-CD1 4.1Å; M269-I516 HydrophobicContact CB-CD1 4.24Å; M269-I516 HydrophobicContact CE-CD1 4.47Å; M269-I516 HydrophobicContact CG-CD1 3.96Å |
| 270 | I | 88.8 | Confident | 90.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -30 | -178.5 | -168.1 | 167 | 0 | 0 | 0 | 112.2 | V40 Q44 Y99 L268 M272 F273 N274 | V40-I270 HydrophobicContact CG1-CD1 3.87Å; V40-I270 HydrophobicContact CG1-CG1 4.18Å; Q44-I270 HydrophobicContact CB-CD1 3.8Å; Q44-I270 HydrophobicContact CG-CD1 4.04Å; Y99-I270 HydrophobicContact CD2-CG2 4.46Å; L268-I270 VanDerWaalsContact C-N 3.26Å; L268-I270 HydrophobicContact CD1-CG2 3.62Å; L268-I270 HydrophobicContact CD2-CG2 4.48Å; L268-I270 HydrophobicContact CG-CG2 3.79Å; L268-I270 PolarHBondContact O-N 3.08Å; I270-M272 VanDerWaalsContact C-N 3.31Å; I270-M272 PolarHBondContact O-N 3.31Å; I270-F273 PolarHBondContact O-N 3.42Å; I270-F273 VanDerWaalsContact O-N 3.13Å; I270-N274 PolarHBondContact O-N 3.14Å |
| 271 | N | 89.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.9 | -25.8 | -175.5 | -140.9 | 25.5 | 0 | 0 | 0 | 113.4 | Y98 F243 P244 L268 M269 F273 N274 E275 | Y98-N271 WeakPolarHBondContact CE2-OD1 3.35Å; Y98-N271 PolarHBondContact OH-ND2 3.42Å; Y98-N271 PolarHBondContact OH-OD1 3.39Å; F243-N271 WeakPolarHBondContact CA-ND2 3.33Å; F243-N271 WeakPolarHBondContact CD1-OD1 2.92Å; P244-N271 WeakPolarHBondContact CD-ND2 3.49Å; P244-N271 PolarHBondContact O-ND2 2.92Å; L268-N271 HydrophobicContact CD2-CB 3.85Å; L268-N271 HydrophobicContact CG-CB 4.03Å; L268-N271 PolarHBondContact O-N 2.75Å; M269-N271 PolarHBondContact O-N 3.35Å; N271-F273 PolarHBondContact O-N 2.85Å; N271-N274 PolarHBondContact O-N 3.34Å; N271-E275 WeakPolarHBondContact O-CB 3.45Å; N271-E275 PolarHBondContact O-N 2.97Å |
| 272 | M | 85.4 | Confident | 90.8 | Very high | 9 Ų | 9 | 16.9 Ų | 16.9 | 4% | 0.044 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60 | -37.4 | 170.2 | -175.7 | -177.2 | 179.1 | 0 | 0 | 111.2 | M269 I270 I516 Q544 W545 | M269-M272 WeakPolarHBondContact O-CB 3.34Å; M269-M272 PolarHBondContact O-N 2.86Å; I270-M272 VanDerWaalsContact C-N 3.31Å; I270-M272 PolarHBondContact O-N 3.31Å; M272-I516 HydrophobicContact SD-CG1 4.04Å; M272-I516 HydrophobicContact SD-CG2 4.47Å; M272-Q544 HydrophobicContact CE-CB 3.94Å; M272-Q544 VanDerWaalsContact CE-CD 3.45Å; M272-Q544 HydrophobicContact CE-CG 4.06Å; M272-Q544 VanDerWaalsContact CE-OE1 3.23Å; M272-W545 HydrophobicContact CE-CH2 4.09Å; M272-W545 HydrophobicContact CE-CZ2 3.79Å |
| 273 | F | 85.9 | Confident | 90.9 | Very high | 35 Ų | 35 | 18.6 Ų | 18.6 | 15% | 0.154 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74.8 | -45.2 | 174.7 | -62.2 | -65 | 0 | 0 | 0 | 111.5 | K43 I270 N271 E275 K276 I277 Y489 | K43-F273 HydrophobicContact CG-CD2 4.46Å; K43-F273 HydrophobicContact CG-CE2 4.21Å; I270-F273 PolarHBondContact O-N 3.42Å; I270-F273 VanDerWaalsContact O-N 3.13Å; N271-F273 PolarHBondContact O-N 2.85Å; F273-E275 VanDerWaalsContact C-N 3.32Å; F273-E275 PolarHBondContact O-N 3.22Å; F273-K276 PolarHBondContact O-N 3.31Å; F273-K276 VanDerWaalsContact O-N 3.08Å; F273-I277 HydrophobicContact CB-CD1 4.31Å; F273-I277 WeakPolarHBondContact O-CB 3.41Å; F273-I277 VanDerWaalsContact O-CG1 3.28Å; F273-I277 WeakPolarHBondContact O-CG1 3.43Å; F273-I277 PolarHBondContact O-N 2.87Å; F273-Y489 HydrophobicContact CD1-CE1 4.06Å; F273-Y489 WeakPolarHBondContact CD1-OH 3.08Å; F273-Y489 HydrophobicContact CD2-CE1 4.47Å; F273-Y489 HydrophobicContact CE1-CD1 4.48Å; F273-Y489 AromaticContact CE1-CE1 3.39Å; F273-Y489 HydrophobicContact CE1-CE1 3.39Å; F273-Y489 HydrophobicContact CE1-CE2 4.35Å; F273-Y489 AromaticContact CE1-CZ 3.31Å; F273-Y489 WeakPolarHBondContact CE1-OH 3.46Å; F273-Y489 HydrophobicContact CE2-CD1 4.41Å; F273-Y489 AromaticContact CE2-CE1 3.83Å; F273-Y489 HydrophobicContact CE2-CE1 3.83Å; F273-Y489 AromaticContact CZ-CD1 3.96Å; F273-Y489 HydrophobicContact CZ-CD1 3.96Å; F273-Y489 AromaticContact CZ-CE1 3.23Å; F273-Y489 HydrophobicContact CZ-CE1 3.23Å; F273-Y489 AromaticContact CZ-CZ 3.61Å |
| 274 | N | 90.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.6 | -45.4 | -179.6 | -66.5 | -21.9 | 0 | 0 | 0 | 112 | F243 I270 N271 K276 I277 Y278 | F243-N274 HydrophobicContact CD1-CB 4.05Å; F243-N274 HydrophobicContact CE1-CB 4.04Å; I270-N274 PolarHBondContact O-N 3.14Å; N271-N274 PolarHBondContact O-N 3.34Å; N274-K276 PolarHBondContact O-N 3.01Å; N274-I277 PolarHBondContact O-N 2.88Å; N274-Y278 HydrophobicContact CB-CD2 4.33Å; N274-Y278 WeakPolarHBondContact O-CB 3.42Å; N274-Y278 VanDerWaalsContact O-CD2 3.32Å; N274-Y278 WeakPolarHBondContact O-CD2 3.49Å; N274-Y278 PolarHBondContact O-N 2.89Å |
| 275 | E | 88.5 | Confident | 91.1 | Very high | 17 Ų | 17 | 19.3 Ų | 19.3 | 8% | 0.079 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -48.2 | -48.7 | 175.6 | -170.8 | -164 | 142.2 | 0 | 0 | 111.1 | F243 R245 N271 F273 L279 | F243-E275 HydrophobicContact CB-CB 3.69Å; F243-E275 HydrophobicContact CB-CG 3.9Å; F243-E275 HydrophobicContact CD1-CB 4.14Å; F243-E275 HydrophobicContact CD2-CB 3.97Å; F243-E275 HydrophobicContact CD2-CG 3.79Å; F243-E275 HydrophobicContact CG-CB 3.67Å; F243-E275 HydrophobicContact CG-CG 3.95Å; R245-E275 IonicContact CZ-OE2 3.32Å; R245-E275 IonicContact NE-OE2 3.94Å; R245-E275 PolarHBondContact NE-OE2 3.2Å; R245-E275 IonicContact NH2-OE1 2.69Å; R245-E275 IonicContact NH2-OE2 3.9Å; R245-E275 PolarHBondContact NH2-OE2 3.49Å; N271-E275 WeakPolarHBondContact O-CB 3.45Å; N271-E275 PolarHBondContact O-N 2.97Å; F273-E275 VanDerWaalsContact C-N 3.32Å; F273-E275 PolarHBondContact O-N 3.22Å; E275-L279 HydrophobicContact CG-CD1 4.36Å; E275-L279 WeakPolarHBondContact O-CB 3.36Å; E275-L279 WeakPolarHBondContact O-CD1 3.46Å; E275-L279 WeakPolarHBondContact O-CG 3.45Å; E275-L279 PolarHBondContact O-N 3.43Å; E275-L279 VanDerWaalsContact O-N 3.08Å |
| 276 | K | 85.5 | Confident | 91.2 | Very high | 51 Ų | 51 | 24.6 Ų | 24.6 | 22% | 0.222 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -78 | -39.7 | -175.6 | -52.7 | -47.8 | -177.4 | -171.3 | 0 | 112.8 | F273 N274 L279 F280 W545 | F273-K276 PolarHBondContact O-N 3.31Å; F273-K276 VanDerWaalsContact O-N 3.08Å; N274-K276 PolarHBondContact O-N 3.01Å; K276-L279 HydrophobicContact CD-CD1 4.24Å; K276-L279 PolarHBondContact O-N 3.5Å; K276-F280 WeakPolarHBondContact O-CB 3.44Å; K276-F280 PolarHBondContact O-N 3.44Å; K276-W545 HydrophobicContact CD-CH2 3.99Å; K276-W545 HydrophobicContact CD-CZ3 4.37Å; K276-W545 HydrophobicContact CG-CH2 3.72Å; K276-W545 HydrophobicContact CG-CZ3 3.87Å |
| 277 | I | 90.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 7% | 0.072 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 176.5 | -70.1 | 173.5 | 0 | 0 | 0 | 109.7 | L36 L39 V40 L106 F273 N274 F280 L281 | L36-I277 HydrophobicContact CD1-CG2 4.16Å; L36-I277 HydrophobicContact CD2-CD1 4.43Å; L36-I277 HydrophobicContact CD2-CG1 4.15Å; L36-I277 HydrophobicContact CD2-CG2 4.38Å; L39-I277 HydrophobicContact CD2-CD1 4.41Å; V40-I277 HydrophobicContact CG2-CD1 3.23Å; L106-I277 HydrophobicContact CD1-CG2 4.48Å; F273-I277 HydrophobicContact CB-CD1 4.31Å; F273-I277 WeakPolarHBondContact O-CB 3.41Å; F273-I277 VanDerWaalsContact O-CG1 3.28Å; F273-I277 WeakPolarHBondContact O-CG1 3.43Å; F273-I277 PolarHBondContact O-N 2.87Å; N274-I277 PolarHBondContact O-N 2.88Å; I277-F280 PolarHBondContact O-N 3.08Å; I277-L281 HydrophobicContact CG2-CD1 3.86Å; I277-L281 HydrophobicContact CG2-CG 4.36Å; I277-L281 WeakPolarHBondContact O-CB 3.3Å; I277-L281 VanDerWaalsContact O-CG 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.39Å; I277-L281 PolarHBondContact O-N 3.26Å |
| 278 | Y | 92.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.3 | -37.4 | -179.8 | -83.9 | -77 | 0 | 0 | 0 | 112.2 | V102 M212 F215 L216 W223 F243 N274 L281 W282 | V102-Y278 HydrophobicContact CG1-CE2 3.88Å; V102-Y278 HydrophobicContact CG2-CE2 3.95Å; M212-Y278 HydrophobicContact CG-CD1 3.82Å; M212-Y278 HydrophobicContact CG-CE1 4.02Å; M212-Y278 HydrophobicContact SD-CD1 3.89Å; M212-Y278 HydrophobicContact SD-CE1 4.45Å; F215-Y278 HydrophobicContact CD1-CE1 4.26Å; F215-Y278 AromaticContact CD1-CZ 3.88Å; F215-Y278 WeakPolarHBondContact CD1-OH 3.32Å; F215-Y278 HydrophobicContact CE1-CE2 4.19Å; F215-Y278 AromaticContact CE1-CZ 3.69Å; F215-Y278 WeakPolarHBondContact CE1-OH 3.27Å; L216-Y278 HydrophobicContact CD1-CD1 3.94Å; L216-Y278 HydrophobicContact CD1-CG 4.13Å; L216-Y278 HydrophobicContact CD2-CD2 4.45Å; L216-Y278 HydrophobicContact CD2-CG 4.5Å; W223-Y278 WeakPolarHBondContact CH2-O 3.5Å; F243-Y278 HydrophobicContact CE1-CD2 4.11Å; F243-Y278 HydrophobicContact CZ-CD2 4.27Å; F243-Y278 HydrophobicContact CZ-CG 4.25Å; N274-Y278 HydrophobicContact CB-CD2 4.33Å; N274-Y278 WeakPolarHBondContact O-CB 3.42Å; N274-Y278 VanDerWaalsContact O-CD2 3.32Å; N274-Y278 WeakPolarHBondContact O-CD2 3.49Å; N274-Y278 PolarHBondContact O-N 2.89Å; Y278-L281 PolarHBondContact O-N 3.02Å; Y278-W282 WeakPolarHBondContact O-CB 3.44Å; Y278-W282 PolarHBondContact O-N 3.37Å |
| 279 | L | 89.9 | Confident | 91.5 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58 | -50 | 171.1 | -76.9 | 169.7 | 0 | 0 | 0 | 112.1 | W223 I227 E275 K276 L281 W282 F283 | W223-L279 HydrophobicContact CZ3-CD2 4.22Å; I227-L279 HydrophobicContact CB-CD2 3.71Å; I227-L279 HydrophobicContact CD1-CD2 4.05Å; I227-L279 HydrophobicContact CG1-CD2 4.46Å; I227-L279 HydrophobicContact CG2-CD1 3.81Å; I227-L279 HydrophobicContact CG2-CD2 3.61Å; I227-L279 HydrophobicContact CG2-CG 4.19Å; E275-L279 HydrophobicContact CG-CD1 4.36Å; E275-L279 WeakPolarHBondContact O-CB 3.36Å; E275-L279 WeakPolarHBondContact O-CD1 3.46Å; E275-L279 WeakPolarHBondContact O-CG 3.45Å; E275-L279 PolarHBondContact O-N 3.43Å; E275-L279 VanDerWaalsContact O-N 3.08Å; K276-L279 HydrophobicContact CD-CD1 4.24Å; K276-L279 PolarHBondContact O-N 3.5Å; L279-L281 VanDerWaalsContact C-N 3.34Å; L279-L281 PolarHBondContact O-N 3.28Å; L279-W282 PolarHBondContact O-N 2.92Å; L279-F283 WeakPolarHBondContact O-CD2 3.48Å; L279-F283 PolarHBondContact O-N 3.39Å |
| 280 | F | 92.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 32 Ų | 32 | 40% | 0.404 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58 | -47.5 | 175.8 | 165.8 | -101 | 0 | 0 | 0 | 111.4 | I32 L36 K276 I277 W282 F283 W284 | I32-F280 HydrophobicContact CG2-CE1 3.69Å; I32-F280 HydrophobicContact CG2-CZ 4.17Å; L36-F280 HydrophobicContact CD1-CD1 4.21Å; L36-F280 HydrophobicContact CD1-CE1 4.2Å; K276-F280 WeakPolarHBondContact O-CB 3.44Å; K276-F280 PolarHBondContact O-N 3.44Å; I277-F280 PolarHBondContact O-N 3.08Å; F280-W282 VanDerWaalsContact C-N 3.3Å; F280-W282 PolarHBondContact O-N 3.21Å; F280-F283 PolarHBondContact O-N 3.39Å; F280-W284 HydrophobicContact CE1-CB 4.43Å; F280-W284 HydrophobicContact CE2-CE3 4.26Å; F280-W284 HydrophobicContact CZ-CB 4.29Å; F280-W284 HydrophobicContact CZ-CD2 4.2Å; F280-W284 AromaticContact CZ-CE3 3.99Å; F280-W284 HydrophobicContact CZ-CE3 3.99Å; F280-W284 HydrophobicContact CZ-CG 4.34Å; F280-W284 VanDerWaalsContact O-CB 3.3Å; F280-W284 WeakPolarHBondContact O-CB 3.3Å; F280-W284 PolarHBondContact O-N 3.35Å |
| 281 | L | 94.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 179.2 | -71.9 | 175.6 | 0 | 0 | 0 | 112.1 | L33 L36 L106 I277 Y278 L279 W284 M285 | L33-L281 HydrophobicContact CD2-CD1 4.19Å; L33-L281 HydrophobicContact CD2-CD2 3.64Å; L36-L281 HydrophobicContact CD1-CD1 4.45Å; L36-L281 HydrophobicContact CD1-CD2 3.82Å; L36-L281 HydrophobicContact CD1-CG 4.21Å; L106-L281 HydrophobicContact CD2-CD1 3.46Å; L106-L281 VanDerWaalsContact CD2-CD1 3.46Å; I277-L281 HydrophobicContact CG2-CD1 3.86Å; I277-L281 HydrophobicContact CG2-CG 4.36Å; I277-L281 WeakPolarHBondContact O-CB 3.3Å; I277-L281 VanDerWaalsContact O-CG 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.39Å; I277-L281 PolarHBondContact O-N 3.26Å; Y278-L281 PolarHBondContact O-N 3.02Å; L279-L281 VanDerWaalsContact C-N 3.34Å; L279-L281 PolarHBondContact O-N 3.28Å; L281-W284 PolarHBondContact O-N 3.38Å; L281-M285 HydrophobicContact CD2-CE 4.37Å; L281-M285 WeakPolarHBondContact O-CB 3.36Å; L281-M285 WeakPolarHBondContact O-CG 3.22Å; L281-M285 PolarHBondContact O-N 3.47Å |
| 282 | W | 93.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 177.7 | -172.4 | 96.5 | 0 | 0 | 0 | 111.7 | F209 M212 S221 F222 W223 L225 Y278 L279 F280 W284 M285 F286 | F209-W282 AromaticContact CE1-NE1 3.97Å; M212-W282 HydrophobicContact CE-CB 4.16Å; M212-W282 HydrophobicContact CE-CG 4.23Å; S221-W282 PolarHBondContact O-NE1 3.34Å; F222-W282 HydrophobicContact CB-CZ2 4.38Å; F222-W282 HydrophobicContact CD1-CH2 4.37Å; F222-W282 AromaticContact CD1-CZ2 3.79Å; F222-W282 HydrophobicContact CD1-CZ2 3.79Å; W223-W282 AromaticContact CE2-CD1 3.8Å; W223-W282 HydrophobicContact CH2-CB 4Å; W223-W282 HydrophobicContact CH2-CG 4.46Å; W223-W282 HydrophobicContact CZ2-CB 4.19Å; W223-W282 AromaticContact CZ2-CD1 3.81Å; W223-W282 HydrophobicContact CZ2-CG 4.35Å; L225-W282 HydrophobicContact CD1-CH2 3.89Å; L225-W282 HydrophobicContact CD2-CH2 4Å; L225-W282 HydrophobicContact CD2-CZ3 4Å; L225-W282 HydrophobicContact CG-CH2 3.49Å; L225-W282 VanDerWaalsContact CG-CH2 3.49Å; L225-W282 HydrophobicContact CG-CZ2 4.18Å; L225-W282 HydrophobicContact CG-CZ3 3.92Å; Y278-W282 WeakPolarHBondContact O-CB 3.44Å; Y278-W282 PolarHBondContact O-N 3.37Å; L279-W282 PolarHBondContact O-N 2.92Å; F280-W282 VanDerWaalsContact C-N 3.3Å; F280-W282 PolarHBondContact O-N 3.21Å; W282-W284 PolarHBondContact O-N 2.86Å; W282-M285 PolarHBondContact O-N 2.77Å; W282-F286 PolarHBondContact O-N 3.41Å |
| 283 | F | 93.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 36% | 0.36 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 176.6 | -70.5 | -71.7 | 0 | 0 | 0 | 112.1 | L225 L228 L279 F280 F286 L287 | L225-F283 HydrophobicContact CD2-CE1 4.16Å; L228-F283 HydrophobicContact CB-CZ 4.46Å; L228-F283 HydrophobicContact CD2-CZ 3.92Å; L279-F283 WeakPolarHBondContact O-CD2 3.48Å; L279-F283 PolarHBondContact O-N 3.39Å; F280-F283 PolarHBondContact O-N 3.39Å; F283-F286 PolarHBondContact O-N 3.02Å; F283-L287 PolarHBondContact O-N 3.27Å |
| 284 | W | 95.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 35 Ų | 35 | 20% | 0.201 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 176.4 | -176.1 | -95.4 | 0 | 0 | 0 | 111.6 | L24 T29 I32 F280 L281 W282 F286 L287 V288 | L24-W284 HydrophobicContact CD1-CH2 4.05Å; L24-W284 HydrophobicContact CD1-CZ2 3.78Å; T29-W284 PolarHBondContact OG1-NE1 3.32Å; I32-W284 HydrophobicContact CD1-CD2 4.26Å; I32-W284 HydrophobicContact CD1-CE3 4.47Å; I32-W284 HydrophobicContact CD1-CH2 3.58Å; I32-W284 HydrophobicContact CD1-CZ2 3.3Å; I32-W284 HydrophobicContact CD1-CZ3 4.16Å; F280-W284 HydrophobicContact CE1-CB 4.43Å; F280-W284 HydrophobicContact CE2-CE3 4.26Å; F280-W284 HydrophobicContact CZ-CB 4.29Å; F280-W284 HydrophobicContact CZ-CD2 4.2Å; F280-W284 AromaticContact CZ-CE3 3.99Å; F280-W284 HydrophobicContact CZ-CE3 3.99Å; F280-W284 HydrophobicContact CZ-CG 4.34Å; F280-W284 VanDerWaalsContact O-CB 3.3Å; F280-W284 WeakPolarHBondContact O-CB 3.3Å; F280-W284 PolarHBondContact O-N 3.35Å; L281-W284 PolarHBondContact O-N 3.38Å; W282-W284 PolarHBondContact O-N 2.86Å; W284-F286 VanDerWaalsContact C-N 3.27Å; W284-F286 PolarHBondContact O-N 3.01Å; W284-L287 PolarHBondContact O-N 3.02Å; W284-V288 HydrophobicContact CD2-CG2 4.37Å; W284-V288 HydrophobicContact CG-CG2 4.37Å; W284-V288 HydrophobicContact CZ2-CG2 4.27Å; W284-V288 VanDerWaalsContact O-CG2 3.29Å; W284-V288 WeakPolarHBondContact O-CG2 3.31Å; W284-V288 PolarHBondContact O-N 3.33Å |
| 285 | M | 94.8 | Very high | 94 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -34.6 | 177.6 | -67.7 | -54.1 | 164.4 | 0 | 0 | 111.8 | T29 L33 F113 Q208 F209 L281 W282 G289 | T29-M285 HydrophobicContact CG2-CE 3.99Å; T29-M285 HydrophobicContact CG2-SD 4.5Å; L33-M285 HydrophobicContact CD1-CE 4.22Å; L33-M285 HydrophobicContact CD2-CE 4.25Å; F113-M285 HydrophobicContact CE2-CE 3.53Å; F113-M285 HydrophobicContact CE2-SD 3.69Å; F113-M285 HydrophobicContact CZ-CE 3.92Å; F113-M285 HydrophobicContact CZ-SD 3.43Å; F113-M285 WeakPolarHBondContact CZ-SD 3.28Å; Q208-M285 HydrophobicContact CB-SD 4.38Å; F209-M285 HydrophobicContact CE1-CB 4.3Å; F209-M285 HydrophobicContact CE2-CB 3.94Å; F209-M285 HydrophobicContact CZ-CB 3.74Å; L281-M285 HydrophobicContact CD2-CE 4.37Å; L281-M285 WeakPolarHBondContact O-CB 3.36Å; L281-M285 WeakPolarHBondContact O-CG 3.22Å; L281-M285 PolarHBondContact O-N 3.47Å; W282-M285 PolarHBondContact O-N 2.77Å; M285-G289 WeakPolarHBondContact O-CA 3.36Å; M285-G289 PolarHBondContact O-N 3.07Å |
| 286 | F | 94.6 | Very high | 94.3 | Very high | 115 Ų | 115 | 35.8 Ų | 35.8 | 50% | 0.504 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.3 | -47 | 173.5 | -178.8 | -99.5 | 0 | 0 | 0 | 111.7 | F209 W282 F283 W284 G289 S290 | F209-F286 HydrophobicContact CZ-CB 4.22Å; W282-F286 PolarHBondContact O-N 3.41Å; F283-F286 PolarHBondContact O-N 3.02Å; W284-F286 VanDerWaalsContact C-N 3.27Å; W284-F286 PolarHBondContact O-N 3.01Å; F286-G289 PolarHBondContact O-N 3.11Å; F286-S290 PolarHBondContact O-N 3.24Å; F286-S290 PolarHBondContact O-OG 3.35Å |
| 287 | L | 95.2 | Very high | 94.8 | Very high | 87 Ų | 87 | 38.6 Ų | 38.6 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -52.7 | 175.5 | -174.3 | 163.4 | 0 | 0 | 0 | 110.9 | L24 F283 W284 G289 S290 A291 | L24-L287 HydrophobicContact CD2-CD2 4.15Å; F283-L287 PolarHBondContact O-N 3.27Å; W284-L287 PolarHBondContact O-N 3.02Å; L287-G289 VanDerWaalsContact C-N 3.3Å; L287-G289 PolarHBondContact O-N 3.34Å; L287-S290 PolarHBondContact O-N 2.67Å; L287-S290 PolarHBondContact O-OG 3.12Å; L287-A291 PolarHBondContact O-N 2.92Å |
| 288 | V | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 179 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L24 F113 V205 W284 A291 T292 | L24-V288 HydrophobicContact CD1-CG2 4.32Å; L24-V288 HydrophobicContact CD2-CB 4.4Å; L24-V288 HydrophobicContact CD2-CG1 4.43Å; L24-V288 HydrophobicContact CD2-CG2 4Å; L24-V288 HydrophobicContact CG-CG1 4.42Å; L24-V288 HydrophobicContact CG-CG2 3.92Å; F113-V288 HydrophobicContact CE1-CG1 4.32Å; V205-V288 HydrophobicContact CG2-CG1 4.03Å; W284-V288 HydrophobicContact CD2-CG2 4.37Å; W284-V288 HydrophobicContact CG-CG2 4.37Å; W284-V288 HydrophobicContact CZ2-CG2 4.27Å; W284-V288 VanDerWaalsContact O-CG2 3.29Å; W284-V288 WeakPolarHBondContact O-CG2 3.31Å; W284-V288 PolarHBondContact O-N 3.33Å; V288-A291 PolarHBondContact O-N 2.94Å; V288-T292 HydrophobicContact CG1-CG2 4.23Å; V288-T292 WeakPolarHBondContact O-CB 3.38Å; V288-T292 VanDerWaalsContact O-CG2 3.27Å; V288-T292 WeakPolarHBondContact O-CG2 3.47Å; V288-T292 PolarHBondContact O-N 3.39Å; V288-T292 PolarHBondContact O-OG1 3.05Å |
| 289 | G | 96.6 | Very high | 94.9 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M285 F286 L287 T292 A293 | M285-G289 WeakPolarHBondContact O-CA 3.36Å; M285-G289 PolarHBondContact O-N 3.07Å; F286-G289 PolarHBondContact O-N 3.11Å; L287-G289 VanDerWaalsContact C-N 3.3Å; L287-G289 PolarHBondContact O-N 3.34Å; G289-T292 WeakPolarHBondContact CA-OG1 3.36Å; G289-T292 PolarHBondContact O-OG1 3.47Å; G289-A293 VanDerWaalsContact O-CB 3.3Å; G289-A293 WeakPolarHBondContact O-CB 3.4Å; G289-A293 PolarHBondContact O-N 3.41Å |
| 290 | S | 96.8 | Very high | 95 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 49% | 0.49 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.8 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | F286 L287 G294 | F286-S290 PolarHBondContact O-N 3.24Å; F286-S290 PolarHBondContact O-OG 3.35Å; L287-S290 PolarHBondContact O-N 2.67Å; L287-S290 PolarHBondContact O-OG 3.12Å; S290-G294 PolarHBondContact O-N 3.14Å |
| 291 | A | 96.9 | Very high | 95 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V21 L24 L287 V288 N295 | V21-A291 HydrophobicContact CG1-CB 4.34Å; V21-A291 HydrophobicContact CG2-CB 4.4Å; L24-A291 HydrophobicContact CD2-CB 4Å; L287-A291 PolarHBondContact O-N 2.92Å; V288-A291 PolarHBondContact O-N 2.94Å; A291-N295 WeakPolarHBondContact O-CB 3.3Å; A291-N295 PolarHBondContact O-N 2.97Å |
| 292 | T | 96.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 177 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | V21 N25 V288 G289 N295 L296 | V21-T292 HydrophobicContact CG1-CG2 3.85Å; N25-T292 WeakPolarHBondContact ND2-CG2 3.47Å; N25-T292 WeakPolarHBondContact OD1-CG2 3.44Å; V288-T292 HydrophobicContact CG1-CG2 4.23Å; V288-T292 WeakPolarHBondContact O-CB 3.38Å; V288-T292 VanDerWaalsContact O-CG2 3.27Å; V288-T292 WeakPolarHBondContact O-CG2 3.47Å; V288-T292 PolarHBondContact O-N 3.39Å; V288-T292 PolarHBondContact O-OG1 3.05Å; G289-T292 WeakPolarHBondContact CA-OG1 3.36Å; G289-T292 PolarHBondContact O-OG1 3.47Å; T292-N295 PolarHBondContact O-N 3.49Å; T292-L296 VanDerWaalsContact O-CB 3.28Å; T292-L296 WeakPolarHBondContact O-CB 3.14Å; T292-L296 PolarHBondContact O-N 3.18Å |
| 293 | A | 97.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 46 Ų | 46 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L202 G289 N295 L296 L297 | L202-A293 HydrophobicContact CD1-CB 4.08Å; G289-A293 VanDerWaalsContact O-CB 3.3Å; G289-A293 WeakPolarHBondContact O-CB 3.4Å; G289-A293 PolarHBondContact O-N 3.41Å; A293-N295 VanDerWaalsContact C-N 3.35Å; A293-N295 PolarHBondContact O-N 2.67Å; A293-L296 PolarHBondContact O-N 3.29Å; A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.47Å; A293-L297 PolarHBondContact O-N 2.93Å |
| 294 | G | 96.7 | Very high | 94 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S290 L297 Y298 | S290-G294 PolarHBondContact O-N 3.14Å; G294-L297 PolarHBondContact O-N 3.46Å; G294-Y298 WeakPolarHBondContact O-CB 3.24Å; G294-Y298 PolarHBondContact O-N 2.96Å |
| 295 | N | 94.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 177.9 | -168.1 | 46.9 | 0 | 0 | 0 | 112.3 | D19 V21 K198 A291 T292 A293 L297 Y298 W299 | D19-N295 PolarHBondContact OD1-ND2 2.68Å; D19-N295 PolarHBondContact OD2-ND2 2.84Å; D19-N295 PolarHBondContact OD2-OD1 2.72Å; V21-N295 HydrophobicContact CB-CB 3.96Å; V21-N295 HydrophobicContact CG1-CB 3.82Å; V21-N295 HydrophobicContact CG2-CB 3.96Å; K198-N295 PolarHBondContact NZ-ND2 3.01Å; K198-N295 VanDerWaalsContact NZ-ND2 3.2Å; A291-N295 WeakPolarHBondContact O-CB 3.3Å; A291-N295 PolarHBondContact O-N 2.97Å; T292-N295 PolarHBondContact O-N 3.49Å; A293-N295 VanDerWaalsContact C-N 3.35Å; A293-N295 PolarHBondContact O-N 2.67Å; N295-L297 VanDerWaalsContact C-N 3.34Å; N295-L297 PolarHBondContact O-N 3.3Å; N295-Y298 WeakPolarHBondContact O-CB 3.42Å; N295-Y298 PolarHBondContact O-N 2.98Å; N295-W299 PolarHBondContact O-N 3.33Å; N295-W299 VanDerWaalsContact OD1-CD1 3.24Å; N295-W299 PolarHBondContact OD1-NE1 2.81Å |
| 296 | L | 95.6 | Very high | 93 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 176.7 | 176 | 64.3 | 0 | 0 | 0 | 110.9 | K198 F199 L202 T292 A293 Y298 W299 I300 | K198-L296 HydrophobicContact CB-CD1 3.62Å; F199-L296 HydrophobicContact CB-CD1 4.34Å; F199-L296 HydrophobicContact CB-CD2 4.43Å; F199-L296 HydrophobicContact CD2-CD2 4.08Å; L202-L296 HydrophobicContact CB-CD2 4.2Å; L202-L296 HydrophobicContact CD2-CD2 3.59Å; T292-L296 VanDerWaalsContact O-CB 3.28Å; T292-L296 WeakPolarHBondContact O-CB 3.14Å; T292-L296 PolarHBondContact O-N 3.18Å; A293-L296 PolarHBondContact O-N 3.29Å; L296-Y298 VanDerWaalsContact C-N 3.35Å; L296-Y298 PolarHBondContact O-N 3.39Å; L296-W299 PolarHBondContact O-N 3.27Å; L296-I300 HydrophobicContact CD1-CD1 3.72Å; L296-I300 HydrophobicContact CD1-CG1 4Å; L296-I300 HydrophobicContact CD2-CD1 4.38Å; L296-I300 HydrophobicContact CG-CD1 3.74Å; L296-I300 HydrophobicContact CG-CG1 4.36Å; L296-I300 WeakPolarHBondContact O-CB 3.41Å; L296-I300 VanDerWaalsContact O-CG1 3.31Å; L296-I300 WeakPolarHBondContact O-CG1 3.39Å; L296-I300 PolarHBondContact O-N 3.19Å |
| 297 | L | 95.8 | Very high | 92.5 | Very high | 111 Ų | 111 | 50 Ų | 50 | 58% | 0.581 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.4 | -46 | 176.7 | -71.5 | 171.5 | 0 | 0 | 0 | 111.4 | A293 G294 N295 W299 I300 C301 | A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.47Å; A293-L297 PolarHBondContact O-N 2.93Å; G294-L297 PolarHBondContact O-N 3.46Å; N295-L297 VanDerWaalsContact C-N 3.34Å; N295-L297 PolarHBondContact O-N 3.3Å; L297-W299 PolarHBondContact O-N 3.46Å; L297-I300 PolarHBondContact O-N 3.2Å; L297-C301 WeakPolarHBondContact O-CB 3.45Å; L297-C301 PolarHBondContact O-N 3.39Å; L297-C301 PolarHBondContact O-SG 3.21Å |
| 298 | Y | 92.4 | Very high | 92 | Very high | 113 Ų | 113 | 50.2 Ų | 50.2 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 175.4 | 168.5 | -101.7 | 0 | 0 | 0 | 112.6 | G294 N295 L296 S302 F308 | G294-Y298 WeakPolarHBondContact O-CB 3.24Å; G294-Y298 PolarHBondContact O-N 2.96Å; N295-Y298 WeakPolarHBondContact O-CB 3.42Å; N295-Y298 PolarHBondContact O-N 2.98Å; L296-Y298 VanDerWaalsContact C-N 3.35Å; L296-Y298 PolarHBondContact O-N 3.39Å; Y298-S302 WeakPolarHBondContact O-CB 3.45Å; Y298-S302 PolarHBondContact O-N 3.15Å; Y298-S302 PolarHBondContact O-OG 3.14Å; Y298-F308 HydrophobicContact CE2-CE1 4.34Å; Y298-F308 HydrophobicContact CE2-CZ 4.39Å |
| 299 | W | 92.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69 | -42.4 | 179.4 | -80.3 | 103.2 | 0 | 0 | 0 | 112.6 | D19 Y194 K198 N295 L296 L297 S302 S303 L347 F351 | D19-W299 PolarHBondContact OD2-NE1 3.23Å; Y194-W299 HydrophobicContact CD1-CD2 4.44Å; Y194-W299 HydrophobicContact CD1-CE3 4.17Å; Y194-W299 HydrophobicContact CD1-CZ3 4.26Å; Y194-W299 AromaticContact CE1-CD2 3.85Å; Y194-W299 HydrophobicContact CE1-CD2 3.85Å; Y194-W299 AromaticContact CE1-CE2 3.79Å; Y194-W299 AromaticContact CE1-CE3 3.86Å; Y194-W299 HydrophobicContact CE1-CE3 3.86Å; Y194-W299 AromaticContact CE1-CH2 3.77Å; Y194-W299 HydrophobicContact CE1-CH2 3.77Å; Y194-W299 AromaticContact CE1-CZ2 3.76Å; Y194-W299 HydrophobicContact CE1-CZ2 3.76Å; Y194-W299 AromaticContact CE1-CZ3 3.83Å; Y194-W299 HydrophobicContact CE1-CZ3 3.83Å; K198-W299 HydrophobicContact CD-CB 3.85Å; K198-W299 VanDerWaalsContact CD-CD1 3.44Å; K198-W299 HydrophobicContact CD-CD2 4.43Å; K198-W299 HydrophobicContact CD-CG 3.64Å; K198-W299 VanDerWaalsContact CE-NE1 3.34Å; N295-W299 PolarHBondContact O-N 3.33Å; N295-W299 VanDerWaalsContact OD1-CD1 3.24Å; N295-W299 PolarHBondContact OD1-NE1 2.81Å; L296-W299 PolarHBondContact O-N 3.27Å; L297-W299 PolarHBondContact O-N 3.46Å; W299-S302 PolarHBondContact O-N 3.25Å; W299-S302 PolarHBondContact O-OG 3.49Å; W299-S303 WeakPolarHBondContact O-CB 3.44Å; W299-S303 PolarHBondContact O-N 2.9Å; W299-S303 PolarHBondContact O-OG 3.3Å; W299-S303 VanDerWaalsContact O-OG 3.05Å; W299-L347 HydrophobicContact CE3-CD1 4.48Å; W299-L347 HydrophobicContact CH2-CD1 4.04Å; W299-L347 HydrophobicContact CZ3-CD1 3.55Å; W299-F351 HydrophobicContact CH2-CE1 4.45Å |
| 300 | I | 91.9 | Very high | 91.2 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 32% | 0.323 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 175.3 | -69.6 | 173.1 | 0 | 0 | 0 | 110 | N195 L296 L297 S302 S303 M304 | N195-I300 PolarHBondContact OD1-N 3.25Å; L296-I300 HydrophobicContact CD1-CD1 3.72Å; L296-I300 HydrophobicContact CD1-CG1 4Å; L296-I300 HydrophobicContact CD2-CD1 4.38Å; L296-I300 HydrophobicContact CG-CD1 3.74Å; L296-I300 HydrophobicContact CG-CG1 4.36Å; L296-I300 WeakPolarHBondContact O-CB 3.41Å; L296-I300 VanDerWaalsContact O-CG1 3.31Å; L296-I300 WeakPolarHBondContact O-CG1 3.39Å; L296-I300 PolarHBondContact O-N 3.19Å; L297-I300 PolarHBondContact O-N 3.2Å; I300-S302 PolarHBondContact O-N 3.11Å; I300-S303 PolarHBondContact O-N 3.29Å; I300-M304 HydrophobicContact CG2-CG 4.4Å; I300-M304 HydrophobicContact CG2-SD 3.56Å; I300-M304 VanDerWaalsContact CG2-SD 3.56Å; I300-M304 WeakPolarHBondContact O-CB 3.34Å; I300-M304 VanDerWaalsContact O-CG 3.24Å; I300-M304 WeakPolarHBondContact O-CG 3.43Å; I300-M304 PolarHBondContact O-N 3.48Å |
| 301 | C | 91.6 | Very high | 90.6 | Very high | 83 Ų | 83 | 53.9 Ų | 53.9 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 179.4 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | L297 S305 | L297-C301 WeakPolarHBondContact O-CB 3.45Å; L297-C301 PolarHBondContact O-N 3.39Å; L297-C301 PolarHBondContact O-SG 3.21Å; C301-S305 WeakPolarHBondContact O-CB 3.15Å; C301-S305 PolarHBondContact O-N 3.23Å |
| 302 | S | 88.3 | Confident | 89.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -78.4 | -22.1 | -177.1 | 73.4 | 0 | 0 | 0 | 0 | 114.4 | Y298 W299 I300 R350 | Y298-S302 WeakPolarHBondContact O-CB 3.45Å; Y298-S302 PolarHBondContact O-N 3.15Å; Y298-S302 PolarHBondContact O-OG 3.14Å; W299-S302 PolarHBondContact O-N 3.25Å; W299-S302 PolarHBondContact O-OG 3.49Å; I300-S302 PolarHBondContact O-N 3.11Å; S302-R350 PolarHBondContact O-NH2 3.47Å; S302-R350 PolarHBondContact OG-NH1 3.47Å |
| 303 | S | 87.2 | Confident | 89.4 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -82.9 | -38.6 | 173.2 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | T191 N195 W299 I300 | T191-S303 WeakPolarHBondContact CG2-OG 3.39Å; N195-S303 PolarHBondContact ND2-OG 3.25Å; N195-S303 VanDerWaalsContact ND2-OG 3.09Å; W299-S303 WeakPolarHBondContact O-CB 3.44Å; W299-S303 PolarHBondContact O-N 2.9Å; W299-S303 PolarHBondContact O-OG 3.3Å; W299-S303 VanDerWaalsContact O-OG 3.05Å; I300-S303 PolarHBondContact O-N 3.29Å |
| 304 | M | 84.9 | Confident | 88.7 | Confident | 156 Ų | 156 | 53.4 Ų | 53.4 | 77% | 0.768 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -78 | -32.5 | -179.9 | -66.5 | -180 | 76 | 0 | 0 | 112.6 | I300 S306 | I300-M304 HydrophobicContact CG2-CG 4.4Å; I300-M304 HydrophobicContact CG2-SD 3.56Å; I300-M304 VanDerWaalsContact CG2-SD 3.56Å; I300-M304 WeakPolarHBondContact O-CB 3.34Å; I300-M304 VanDerWaalsContact O-CG 3.24Å; I300-M304 WeakPolarHBondContact O-CG 3.43Å; I300-M304 PolarHBondContact O-N 3.48Å; M304-S306 PolarHBondContact O-N 3.22Å |
| 305 | S | 85.1 | Confident | 87.8 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | trans | -77.4 | 113.8 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | C301 N307 F308 R309 | C301-S305 WeakPolarHBondContact O-CB 3.15Å; C301-S305 PolarHBondContact O-N 3.23Å; S305-N307 VanDerWaalsContact C-N 3.27Å; S305-N307 PolarHBondContact O-N 2.86Å; S305-N307 PolarHBondContact OG-N 3.32Å; S305-F308 PolarHBondContact O-N 3.03Å; S305-F308 PolarHBondContact OG-N 3.41Å; S305-R309 PolarHBondContact O-N 2.91Å | ||
| 306 | S | 84.5 | Confident | 87 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 170.5 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | M304 F308 R309 E310 R338 | M304-S306 PolarHBondContact O-N 3.22Å; S306-F308 VanDerWaalsContact C-N 3.32Å; S306-F308 PolarHBondContact O-N 3.07Å; S306-R309 WeakPolarHBondContact O-CB 3.43Å; S306-R309 PolarHBondContact O-N 3.45Å; S306-E310 WeakPolarHBondContact O-CB 3.28Å; S306-E310 VanDerWaalsContact O-CG 3.24Å; S306-E310 WeakPolarHBondContact O-CG 3.5Å; S306-E310 PolarHBondContact O-N 2.88Å; S306-E310 PolarHBondContact OG-OE1 3.34Å; S306-R338 PolarHBondContact OG-NE 3.37Å; S306-R338 PolarHBondContact OG-NH2 3.4Å |
| 307 | N | 85.6 | Confident | 86.3 | Confident | 109 Ų | 109 | 51.7 Ų | 51.7 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | -178.3 | -62.3 | -14.3 | 0 | 0 | 0 | 111.6 | S305 R309 E310 E311 | S305-N307 VanDerWaalsContact C-N 3.27Å; S305-N307 PolarHBondContact O-N 2.86Å; S305-N307 PolarHBondContact OG-N 3.32Å; N307-R309 VanDerWaalsContact C-N 3.32Å; N307-R309 PolarHBondContact O-N 2.86Å; N307-E310 PolarHBondContact O-N 3.32Å; N307-E311 WeakPolarHBondContact O-CB 3.4Å; N307-E311 PolarHBondContact O-N 3.34Å |
| 308 | F | 84.7 | Confident | 85.2 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 40% | 0.395 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.1 | -34 | -179.7 | -144.5 | -86.7 | 0 | 0 | 0 | 112.3 | Y298 S305 S306 M312 | Y298-F308 HydrophobicContact CE2-CE1 4.34Å; Y298-F308 HydrophobicContact CE2-CZ 4.39Å; S305-F308 PolarHBondContact O-N 3.03Å; S305-F308 PolarHBondContact OG-N 3.41Å; S306-F308 VanDerWaalsContact C-N 3.32Å; S306-F308 PolarHBondContact O-N 3.07Å; F308-M312 WeakPolarHBondContact O-CB 3.08Å; F308-M312 PolarHBondContact O-N 2.83Å |
| 309 | R | 88.4 | Confident | 84.1 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 173.8 | -65.9 | 170.3 | 53.2 | -139.4 | -9.9 | 110.9 | S305 S306 N307 I313 V337 L342 V346 | S305-R309 PolarHBondContact O-N 2.91Å; S306-R309 WeakPolarHBondContact O-CB 3.43Å; S306-R309 PolarHBondContact O-N 3.45Å; N307-R309 VanDerWaalsContact C-N 3.32Å; N307-R309 PolarHBondContact O-N 2.86Å; R309-I313 WeakPolarHBondContact O-CG1 3.32Å; R309-I313 PolarHBondContact O-N 3.34Å; R309-V337 HydrophobicContact CB-CG1 4.07Å; R309-V337 PolarHBondContact NH2-O 2.86Å; R309-V337 VanDerWaalsContact NH2-O 3.16Å; R309-L342 PolarHBondContact NH2-O 2.99Å; R309-V346 HydrophobicContact CB-CG1 4.19Å; R309-V346 HydrophobicContact CB-CG2 4.35Å; R309-V346 HydrophobicContact CG-CG1 4.04Å |
| 310 | E | 87.3 | Confident | 83 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 178 | -70.2 | 163.7 | -155.8 | 0 | 0 | 111.1 | S306 N307 M312 I313 Q314 Q334 V337 R338 | S306-E310 WeakPolarHBondContact O-CB 3.28Å; S306-E310 VanDerWaalsContact O-CG 3.24Å; S306-E310 WeakPolarHBondContact O-CG 3.5Å; S306-E310 PolarHBondContact O-N 2.88Å; S306-E310 PolarHBondContact OG-OE1 3.34Å; N307-E310 PolarHBondContact O-N 3.32Å; E310-M312 VanDerWaalsContact C-N 3.33Å; E310-M312 PolarHBondContact O-N 3.03Å; E310-I313 PolarHBondContact O-N 2.91Å; E310-Q314 VanDerWaalsContact O-CB 3.24Å; E310-Q314 WeakPolarHBondContact O-CB 3.27Å; E310-Q314 PolarHBondContact O-N 3.14Å; E310-Q334 HydrophobicContact CG-CG 4.12Å; E310-Q334 WeakPolarHBondContact OE2-CG 3.46Å; E310-Q334 PolarHBondContact OE2-NE2 3.47Å; E310-V337 HydrophobicContact CG-CB 4.35Å; E310-V337 HydrophobicContact CG-CG1 4.21Å; E310-R338 IonicContact OE1-CZ 3.07Å; E310-R338 IonicContact OE1-NE 2.89Å; E310-R338 PolarHBondContact OE1-NE 3.39Å; E310-R338 IonicContact OE1-NH2 3.85Å; E310-R338 PolarHBondContact OE1-NH2 2.88Å |
| 311 | E | 83.6 | Confident | 82.1 | Confident | 125 Ų | 125 | 52.6 Ų | 52.6 | 58% | 0.584 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | -179.6 | -175 | 174.5 | -168 | 0 | 0 | 112.4 | N307 I313 Q314 S315 | N307-E311 WeakPolarHBondContact O-CB 3.4Å; N307-E311 PolarHBondContact O-N 3.34Å; E311-I313 PolarHBondContact O-N 2.89Å; E311-Q314 PolarHBondContact O-N 3.03Å; E311-S315 PolarHBondContact O-N 2.97Å |
| 312 | M | 82.8 | Confident | 81.3 | Confident | 26 Ų | 26 | 56 Ų | 56 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.9 | -173.3 | -161.6 | 83.5 | 0 | 0 | 112.1 | F308 E310 S315 H316 V346 R350 | F308-M312 WeakPolarHBondContact O-CB 3.08Å; F308-M312 PolarHBondContact O-N 2.83Å; E310-M312 VanDerWaalsContact C-N 3.33Å; E310-M312 PolarHBondContact O-N 3.03Å; M312-S315 PolarHBondContact O-OG 2.92Å; M312-H316 PolarHBondContact O-CE1 3.1Å; M312-H316 PolarHBondContact O-ND1 3.11Å; M312-V346 HydrophobicContact CE-CG1 3.7Å; M312-V346 HydrophobicContact SD-CG1 4.48Å; M312-R350 HydrophobicContact CE-CG 3.87Å; M312-R350 HydrophobicContact SD-CG 3.34Å; M312-R350 WeakPolarHBondContact SD-CG 2.99Å; M312-R350 PolarHBondContact SD-NE 3.31Å |
| 313 | I | 85.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73 | -40.3 | 179.5 | -63.7 | -62.9 | 0 | 0 | 0 | 110.1 | R309 E310 E311 S315 H316 L317 T333 F336 V337 L341 L349 I365 | R309-I313 WeakPolarHBondContact O-CG1 3.32Å; R309-I313 PolarHBondContact O-N 3.34Å; E310-I313 PolarHBondContact O-N 2.91Å; E311-I313 PolarHBondContact O-N 2.89Å; I313-S315 VanDerWaalsContact C-N 3.29Å; I313-S315 PolarHBondContact O-N 3.48Å; I313-H316 PolarHBondContact O-N 3.46Å; I313-H316 VanDerWaalsContact O-N 3.14Å; I313-L317 HydrophobicContact CG2-CD1 3.8Å; I313-L317 HydrophobicContact CG2-CG 4.28Å; I313-L317 PolarHBondContact O-N 2.96Å; I313-T333 HydrophobicContact CG2-CG2 4.33Å; I313-F336 HydrophobicContact CG2-CD1 4.09Å; I313-F336 HydrophobicContact CG2-CE1 4.08Å; I313-V337 HydrophobicContact CB-CG2 3.85Å; I313-V337 HydrophobicContact CG1-CG2 3.88Å; I313-V337 HydrophobicContact CG2-CG2 4.01Å; I313-L341 HydrophobicContact CD1-CD2 3.77Å; I313-L341 HydrophobicContact CG1-CD2 4Å; I313-L349 HydrophobicContact CD1-CD1 3.86Å; I313-I365 HydrophobicContact CD1-CD1 3.83Å; I313-I365 HydrophobicContact CD1-CG1 4.33Å; I313-I365 HydrophobicContact CG2-CG2 4.19Å |
| 314 | Q | 83.5 | Confident | 79.8 | Confident | 30 Ų | 30 | 60 Ų | 60 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.9 | -42.9 | 176.3 | -169.9 | 173.4 | 9.4 | 0 | 0 | 112.1 | E310 E311 H316 L317 R318 E329 T333 | E310-Q314 VanDerWaalsContact O-CB 3.24Å; E310-Q314 WeakPolarHBondContact O-CB 3.27Å; E310-Q314 PolarHBondContact O-N 3.14Å; E311-Q314 PolarHBondContact O-N 3.03Å; Q314-H316 PolarHBondContact O-N 2.87Å; Q314-L317 PolarHBondContact O-N 2.64Å; Q314-R318 VanDerWaalsContact NE2-NH2 3.14Å; Q314-R318 WeakPolarHBondContact O-CG 3.46Å; Q314-R318 PolarHBondContact O-N 2.67Å; Q314-R318 VanDerWaalsContact O-N 3.09Å; Q314-E329 WeakPolarHBondContact CG-OE1 3.23Å; Q314-E329 PolarHBondContact NE2-OE1 3.14Å; Q314-T333 HydrophobicContact CB-CG2 4.08Å |
| 315 | S | 78.1 | Confident | 79.5 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -29.6 | -179.6 | 77.6 | 0 | 0 | 0 | 0 | 113.5 | E311 M312 I313 | E311-S315 PolarHBondContact O-N 2.97Å; M312-S315 PolarHBondContact O-OG 2.92Å; I313-S315 VanDerWaalsContact C-N 3.29Å; I313-S315 PolarHBondContact O-N 3.48Å |
| 316 | H | 77.6 | Confident | 79.1 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -84.7 | -39.1 | 178 | -62.9 | 73.7 | 0 | 0 | 0 | 110.9 | M312 I313 Q314 R318 I319 T362 I365 | M312-H316 PolarHBondContact O-CE1 3.1Å; M312-H316 PolarHBondContact O-ND1 3.11Å; I313-H316 PolarHBondContact O-N 3.46Å; I313-H316 VanDerWaalsContact O-N 3.14Å; Q314-H316 PolarHBondContact O-N 2.87Å; H316-R318 VanDerWaalsContact C-N 3.33Å; H316-R318 PolarHBondContact O-N 3.35Å; H316-I319 WeakPolarHBondContact O-CB 3.47Å; H316-I319 PolarHBondContact O-N 3.38Å; H316-I319 VanDerWaalsContact O-N 3.15Å; H316-T362 PolarHBondContact CD2-OG1 3.43Å; H316-I365 HydrophobicContact CB-CD1 3.75Å; H316-I365 HydrophobicContact CB-CG2 4.42Å |
| 317 | L | 80.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 178.9 | -72.9 | 171.7 | 0 | 0 | 0 | 113 | I313 Q314 I319 T320 T321 F323 T333 I365 F369 | I313-L317 HydrophobicContact CG2-CD1 3.8Å; I313-L317 HydrophobicContact CG2-CG 4.28Å; I313-L317 PolarHBondContact O-N 2.96Å; Q314-L317 PolarHBondContact O-N 2.64Å; L317-I319 PolarHBondContact O-N 3.27Å; L317-T320 PolarHBondContact O-N 3.01Å; L317-T320 VanDerWaalsContact O-N 3.08Å; L317-T320 PolarHBondContact O-OG1 3.31Å; L317-T321 WeakPolarHBondContact O-CB 3.47Å; L317-T321 PolarHBondContact O-N 3Å; L317-F323 HydrophobicContact CB-CE2 3.84Å; L317-F323 HydrophobicContact CB-CZ 3.73Å; L317-F323 HydrophobicContact CD1-CZ 4.11Å; L317-F323 HydrophobicContact CG-CZ 4.42Å; L317-T333 HydrophobicContact CD1-CG2 4.25Å; L317-I365 HydrophobicContact CD2-CG2 3.57Å; L317-I365 HydrophobicContact CG-CG2 3.74Å; L317-F369 HydrophobicContact CD1-CD2 3.9Å; L317-F369 HydrophobicContact CD1-CE2 4.24Å; L317-F369 HydrophobicContact CD1-CG 4.14Å; L317-F369 HydrophobicContact CD2-CB 3.53Å; L317-F369 HydrophobicContact CD2-CD1 3.89Å; L317-F369 HydrophobicContact CD2-CD2 4.22Å; L317-F369 HydrophobicContact CD2-CG 3.6Å |
| 318 | R | 73 | Confident | 78.7 | Confident | 133 Ų | 133 | 57.8 Ų | 57.8 | 50% | 0.502 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.6 | -21.7 | 174.6 | -76.9 | 178.1 | 176.6 | -175.5 | -5.7 | 114.5 | Q314 H316 E329 | Q314-R318 VanDerWaalsContact NE2-NH2 3.14Å; Q314-R318 WeakPolarHBondContact O-CG 3.46Å; Q314-R318 PolarHBondContact O-N 2.67Å; Q314-R318 VanDerWaalsContact O-N 3.09Å; H316-R318 VanDerWaalsContact C-N 3.33Å; H316-R318 PolarHBondContact O-N 3.35Å; R318-E329 WeakPolarHBondContact CG-OE1 3.25Å; R318-E329 IonicContact CZ-OE1 2.64Å; R318-E329 IonicContact NE-OE1 2.65Å; R318-E329 PolarHBondContact NE-OE1 2.94Å; R318-E329 IonicContact NE-OE2 2.9Å; R318-E329 IonicContact NH2-OE1 3.18Å; R318-E329 PolarHBondContact NH2-OE1 3.03Å; R318-E329 IonicContact NH2-OE2 2.95Å; R318-E329 PolarHBondContact NH2-OE2 3.37Å |
| 319 | I | 68.4 | Low | 78.5 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 38% | 0.379 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -80.4 | -32.7 | -179.2 | -57.4 | 172.1 | 0 | 0 | 0 | 110.6 | H316 L317 T362 | H316-I319 WeakPolarHBondContact O-CB 3.47Å; H316-I319 PolarHBondContact O-N 3.38Å; H316-I319 VanDerWaalsContact O-N 3.15Å; L317-I319 PolarHBondContact O-N 3.27Å; I319-T362 HydrophobicContact CB-CG2 4.16Å; I319-T362 HydrophobicContact CD1-CG2 4.49Å; I319-T362 HydrophobicContact CG2-CG2 4.27Å |
| 320 | T | 70.8 | Confident | 78.3 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -112.4 | -23.5 | -169.5 | 50 | 0 | 0 | 0 | 0 | 114.4 | L317 T362 A366 | L317-T320 PolarHBondContact O-N 3.01Å; L317-T320 VanDerWaalsContact O-N 3.08Å; L317-T320 PolarHBondContact O-OG1 3.31Å; T320-T362 HydrophobicContact CG2-CG2 3.43Å; T320-T362 VanDerWaalsContact CG2-CG2 3.43Å; T320-A366 HydrophobicContact CG2-CB 3.88Å; T320-A366 WeakPolarHBondContact OG1-CB 3.21Å |
| 321 | T | 71 | Confident | 78.3 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 24% | 0.239 | 34% | 0.34 | C | S | . | . | trans | -124.1 | 121.8 | -168.3 | -52.8 | 0 | 0 | 0 | 0 | 109 | L317 F323 F369 | L317-T321 WeakPolarHBondContact O-CB 3.47Å; L317-T321 PolarHBondContact O-N 3Å; T321-F323 HydrophobicContact CG2-CD1 4.45Å; T321-F323 HydrophobicContact CG2-CD2 4.47Å; T321-F323 HydrophobicContact CG2-CE1 4.19Å; T321-F323 HydrophobicContact CG2-CE2 4.2Å; T321-F323 HydrophobicContact CG2-CZ 4.06Å; T321-F323 WeakPolarHBondContact O-CD2 3.46Å; T321-F369 HydrophobicContact CG2-CD1 4.34Å; T321-F369 HydrophobicContact CG2-CE1 4.05Å | ||
| 322 | D | 75 | Confident | 78.4 | Confident | 154 Ų | 154 | 60 Ų | 60 | 82% | 0.824 | 32% | 0.32 | S | S | * | . | trans | -83.5 | 116.2 | 168 | -172.4 | 5.5 | 0 | 0 | 0 | 108.9 | G324 | D322-G324 PolarHBondContact OD1-N 3.44Š| ||
| 323 | F | 72.7 | Confident | 78.6 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | trans | -88.9 | -11.2 | -179.7 | -69.6 | -83.2 | 0 | 0 | 0 | 112.9 | L317 T321 D325 S328 E329 F369 | L317-F323 HydrophobicContact CB-CE2 3.84Å; L317-F323 HydrophobicContact CB-CZ 3.73Å; L317-F323 HydrophobicContact CD1-CZ 4.11Å; L317-F323 HydrophobicContact CG-CZ 4.42Å; T321-F323 HydrophobicContact CG2-CD1 4.45Å; T321-F323 HydrophobicContact CG2-CD2 4.47Å; T321-F323 HydrophobicContact CG2-CE1 4.19Å; T321-F323 HydrophobicContact CG2-CE2 4.2Å; T321-F323 HydrophobicContact CG2-CZ 4.06Å; T321-F323 WeakPolarHBondContact O-CD2 3.46Å; F323-D325 PolarHBondContact O-N 3.32Å; F323-S328 PolarHBondContact O-OG 2.6Å; F323-E329 HydrophobicContact CB-CB 3.71Å; F323-E329 HydrophobicContact CB-CG 4.2Å; F323-E329 HydrophobicContact CD1-CB 3.99Å; F323-E329 HydrophobicContact CD1-CG 4.12Å; F323-E329 HydrophobicContact CD2-CB 4.09Å; F323-E329 HydrophobicContact CD2-CG 3.6Å; F323-E329 HydrophobicContact CE1-CG 4.37Å; F323-E329 HydrophobicContact CE2-CG 3.89Å; F323-E329 HydrophobicContact CG-CB 3.67Å; F323-E329 HydrophobicContact CG-CG 3.71Å; F323-E329 HydrophobicContact CZ-CG 4.26Å; F323-F369 AromaticContact CE1-CE1 3.81Å; F323-F369 HydrophobicContact CE1-CE1 3.81Å; F323-F369 AromaticContact CE1-CZ 3.65Å; F323-F369 HydrophobicContact CE1-CZ 3.65Å; F323-F369 HydrophobicContact CZ-CE1 4.2Å; F323-F369 HydrophobicContact CZ-CZ 4.23Å | ||
| 324 | G | 72.8 | Confident | 78.8 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 76% | 0.763 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 69.5 | -51.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D322 | D322-G324 PolarHBondContact OD1-N 3.44Š|
| 325 | D | 77.9 | Confident | 79 | Confident | 90 Ų | 90 | 67.5 Ų | 67.5 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -127.3 | 148.4 | -179.6 | -174.7 | 22.1 | 0 | 0 | 0 | 112.8 | F323 L327 S328 E329 | F323-D325 PolarHBondContact O-N 3.32Å; D325-L327 VanDerWaalsContact C-N 3.33Å; D325-L327 PolarHBondContact O-N 2.91Å; D325-S328 PolarHBondContact O-OG 2.97Å; D325-E329 WeakPolarHBondContact O-CB 3.49Å; D325-E329 PolarHBondContact O-N 3.47Å |
| 326 | T | 77.7 | Confident | 79.5 | Confident | 92 Ų | 92 | 66 Ų | 66 | 56% | 0.564 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.1 | -27.8 | -179.6 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | K330 | T326-K330 WeakPolarHBondContact O-CG 3.25Å; T326-K330 PolarHBondContact O-N 3.46Å |
| 327 | L | 80.1 | Confident | 80 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 44% | 0.44 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.9 | -43.3 | -179.4 | -176.1 | 63.8 | 0 | 0 | 0 | 111.7 | D325 E329 K330 R331 | D325-L327 VanDerWaalsContact C-N 3.33Å; D325-L327 PolarHBondContact O-N 2.91Å; L327-E329 VanDerWaalsContact C-N 3.34Å; L327-K330 PolarHBondContact O-N 3.08Å; L327-R331 WeakPolarHBondContact O-CG 3.46Å; L327-R331 PolarHBondContact O-N 3.18Å; L327-R331 VanDerWaalsContact O-N 3.15Å |
| 328 | S | 80.7 | Confident | 80.3 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.7 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | F323 D325 K330 R331 L332 | F323-S328 PolarHBondContact O-OG 2.6Å; D325-S328 PolarHBondContact O-OG 2.97Å; S328-K330 PolarHBondContact O-N 3.34Å; S328-R331 PolarHBondContact O-N 2.81Å; S328-L332 WeakPolarHBondContact O-CB 3.45Å; S328-L332 WeakPolarHBondContact O-CG 3.36Å; S328-L332 PolarHBondContact O-N 3.15Å |
| 329 | E | 80.2 | Confident | 80.7 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -50.5 | -56.4 | 174.2 | -178.4 | -169.1 | 173 | 0 | 0 | 111.7 | Q314 R318 F323 D325 L327 T333 | Q314-E329 WeakPolarHBondContact CG-OE1 3.23Å; Q314-E329 PolarHBondContact NE2-OE1 3.14Å; R318-E329 WeakPolarHBondContact CG-OE1 3.25Å; R318-E329 IonicContact CZ-OE1 2.64Å; R318-E329 IonicContact NE-OE1 2.65Å; R318-E329 PolarHBondContact NE-OE1 2.94Å; R318-E329 IonicContact NE-OE2 2.9Å; R318-E329 IonicContact NH2-OE1 3.18Å; R318-E329 PolarHBondContact NH2-OE1 3.03Å; R318-E329 IonicContact NH2-OE2 2.95Å; R318-E329 PolarHBondContact NH2-OE2 3.37Å; F323-E329 HydrophobicContact CB-CB 3.71Å; F323-E329 HydrophobicContact CB-CG 4.2Å; F323-E329 HydrophobicContact CD1-CB 3.99Å; F323-E329 HydrophobicContact CD1-CG 4.12Å; F323-E329 HydrophobicContact CD2-CB 4.09Å; F323-E329 HydrophobicContact CD2-CG 3.6Å; F323-E329 HydrophobicContact CE1-CG 4.37Å; F323-E329 HydrophobicContact CE2-CG 3.89Å; F323-E329 HydrophobicContact CG-CB 3.67Å; F323-E329 HydrophobicContact CG-CG 3.71Å; F323-E329 HydrophobicContact CZ-CG 4.26Å; D325-E329 WeakPolarHBondContact O-CB 3.49Å; D325-E329 PolarHBondContact O-N 3.47Å; L327-E329 VanDerWaalsContact C-N 3.34Å; E329-T333 VanDerWaalsContact O-CB 3.24Å; E329-T333 WeakPolarHBondContact O-CB 3.43Å; E329-T333 PolarHBondContact O-N 2.98Å; E329-T333 PolarHBondContact O-OG1 3.46Å |
| 330 | K | 84.3 | Confident | 81.5 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | -177.4 | -75.9 | 179.9 | 179.5 | 179 | 0 | 111.9 | T326 L327 S328 Q334 | T326-K330 WeakPolarHBondContact O-CG 3.25Å; T326-K330 PolarHBondContact O-N 3.46Å; L327-K330 PolarHBondContact O-N 3.08Å; S328-K330 PolarHBondContact O-N 3.34Å; K330-Q334 VanDerWaalsContact O-CB 3.27Å; K330-Q334 WeakPolarHBondContact O-CB 3.12Å; K330-Q334 WeakPolarHBondContact O-CG 3.16Å; K330-Q334 PolarHBondContact O-N 3.5Å |
| 331 | R | 87 | Confident | 82.2 | Confident | 143 Ų | 143 | 66.2 Ų | 66.2 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | -177.4 | -71.6 | 177 | -178 | 170.9 | -0.3 | 112.3 | L327 S328 Q334 R335 | L327-R331 WeakPolarHBondContact O-CG 3.46Å; L327-R331 PolarHBondContact O-N 3.18Å; L327-R331 VanDerWaalsContact O-N 3.15Å; S328-R331 PolarHBondContact O-N 2.81Å; R331-Q334 PolarHBondContact O-N 2.95Å; R331-R335 WeakPolarHBondContact O-CG 3Å; R331-R335 PolarHBondContact O-N 3.31Å |
| 332 | L | 87.2 | Confident | 83 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 179.6 | -71.5 | 171.7 | 0 | 0 | 0 | 111.1 | S328 Q334 R335 F336 F369 L378 | S328-L332 WeakPolarHBondContact O-CB 3.45Å; S328-L332 WeakPolarHBondContact O-CG 3.36Å; S328-L332 PolarHBondContact O-N 3.15Å; L332-Q334 VanDerWaalsContact C-N 3.34Å; L332-Q334 PolarHBondContact O-N 2.95Å; L332-R335 PolarHBondContact O-N 2.93Å; L332-F336 WeakPolarHBondContact O-CB 3.26Å; L332-F336 PolarHBondContact O-N 3.39Å; L332-F369 HydrophobicContact CB-CE2 4.42Å; L332-F369 HydrophobicContact CB-CZ 4.18Å; L332-L378 HydrophobicContact CD2-CB 4.25Å; L332-L378 HydrophobicContact CD2-CD1 3.97Å; L332-L378 HydrophobicContact CD2-CD2 4.43Å; L332-L378 HydrophobicContact CD2-CG 4.45Å |
| 333 | T | 86.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | I313 Q314 L317 E329 R335 F336 V337 | I313-T333 HydrophobicContact CG2-CG2 4.33Å; Q314-T333 HydrophobicContact CB-CG2 4.08Å; L317-T333 HydrophobicContact CD1-CG2 4.25Å; E329-T333 VanDerWaalsContact O-CB 3.24Å; E329-T333 WeakPolarHBondContact O-CB 3.43Å; E329-T333 PolarHBondContact O-N 2.98Å; E329-T333 PolarHBondContact O-OG1 3.46Å; T333-R335 PolarHBondContact O-N 3.36Å; T333-F336 PolarHBondContact O-N 3.35Å; T333-V337 HydrophobicContact CG2-CG2 4.3Å; T333-V337 WeakPolarHBondContact O-CB 3.31Å; T333-V337 VanDerWaalsContact O-CG2 3.29Å; T333-V337 WeakPolarHBondContact O-CG2 3.44Å; T333-V337 PolarHBondContact O-N 3.04Å |
| 334 | Q | 89 | Confident | 84.3 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176 | -81.1 | 178.8 | -15.3 | 0 | 0 | 112.9 | E310 K330 R331 L332 R338 | E310-Q334 HydrophobicContact CG-CG 4.12Å; E310-Q334 WeakPolarHBondContact OE2-CG 3.46Å; E310-Q334 PolarHBondContact OE2-NE2 3.47Å; K330-Q334 VanDerWaalsContact O-CB 3.27Å; K330-Q334 WeakPolarHBondContact O-CB 3.12Å; K330-Q334 WeakPolarHBondContact O-CG 3.16Å; K330-Q334 PolarHBondContact O-N 3.5Å; R331-Q334 PolarHBondContact O-N 2.95Å; L332-Q334 VanDerWaalsContact C-N 3.34Å; L332-Q334 PolarHBondContact O-N 2.95Å; Q334-R338 WeakPolarHBondContact O-CB 3.48Å; Q334-R338 WeakPolarHBondContact O-CG 3.3Å; Q334-R338 PolarHBondContact O-N 3.46Å |
| 335 | R | 87.8 | Confident | 85.1 | Confident | 138 Ų | 138 | 53.4 Ų | 53.4 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 177.4 | -75.2 | -178.6 | 176.8 | -177.3 | -0.3 | 111.4 | R331 L332 T333 V337 R338 H339 | R331-R335 WeakPolarHBondContact O-CG 3Å; R331-R335 PolarHBondContact O-N 3.31Å; L332-R335 PolarHBondContact O-N 2.93Å; T333-R335 PolarHBondContact O-N 3.36Å; R335-V337 PolarHBondContact O-N 2.9Å; R335-R338 PolarHBondContact O-N 3.37Å; R335-H339 WeakPolarHBondContact O-CB 3.42Å; R335-H339 PolarHBondContact O-N 3.41Å; R335-H339 PolarHBondContact O-ND1 3.03Å |
| 336 | F | 89.6 | Confident | 85.7 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -57 | -49 | 176.7 | 178.2 | -118.2 | 0 | 0 | 0 | 111.8 | I313 L332 T333 R338 A340 L341 L368 F369 Y372 | I313-F336 HydrophobicContact CG2-CD1 4.09Å; I313-F336 HydrophobicContact CG2-CE1 4.08Å; L332-F336 WeakPolarHBondContact O-CB 3.26Å; L332-F336 PolarHBondContact O-N 3.39Å; T333-F336 PolarHBondContact O-N 3.35Å; F336-R338 PolarHBondContact O-N 3.47Å; F336-A340 HydrophobicContact CD2-CB 3.84Å; F336-A340 HydrophobicContact CE2-CB 4.17Å; F336-A340 WeakPolarHBondContact O-CB 3.33Å; F336-A340 PolarHBondContact O-N 3.28Å; F336-L341 PolarHBondContact O-N 2.68Å; F336-L368 HydrophobicContact CE2-CB 4.43Å; F336-L368 HydrophobicContact CZ-CB 3.92Å; F336-F369 HydrophobicContact CB-CD2 4.16Å; F336-F369 HydrophobicContact CB-CE2 4.21Å; F336-F369 AromaticContact CD1-CD2 3.9Å; F336-F369 HydrophobicContact CD1-CD2 3.9Å; F336-F369 HydrophobicContact CD2-CD2 4.18Å; F336-F369 HydrophobicContact CE1-CB 4.41Å; F336-F369 HydrophobicContact CE1-CD2 4.32Å; F336-F369 AromaticContact CG-CD2 3.82Å; F336-F369 HydrophobicContact CG-CD2 3.82Å; F336-F369 HydrophobicContact CG-CE2 4.38Å; F336-F369 HydrophobicContact CZ-CB 4.31Å; F336-Y372 HydrophobicContact CB-CD1 4.13Å; F336-Y372 HydrophobicContact CB-CE1 4.02Å; F336-Y372 AromaticContact CD2-CD1 3.7Å; F336-Y372 HydrophobicContact CD2-CD1 3.7Å; F336-Y372 HydrophobicContact CD2-CD2 4.01Å; F336-Y372 HydrophobicContact CD2-CE1 4.29Å; F336-Y372 AromaticContact CD2-CG 3.54Å; F336-Y372 HydrophobicContact CD2-CG 3.54Å; F336-Y372 HydrophobicContact CE2-CG 4.13Å; F336-Y372 HydrophobicContact CG-CD1 4.33Å |
| 337 | V | 89 | Confident | 86.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -68.1 | -38 | -178.3 | 173.5 | 0 | 0 | 0 | 0 | 112.9 | R309 E310 I313 T333 R335 L342 V346 | R309-V337 HydrophobicContact CB-CG1 4.07Å; R309-V337 PolarHBondContact NH2-O 2.86Å; R309-V337 VanDerWaalsContact NH2-O 3.16Å; E310-V337 HydrophobicContact CG-CB 4.35Å; E310-V337 HydrophobicContact CG-CG1 4.21Å; I313-V337 HydrophobicContact CB-CG2 3.85Å; I313-V337 HydrophobicContact CG1-CG2 3.88Å; I313-V337 HydrophobicContact CG2-CG2 4.01Å; T333-V337 HydrophobicContact CG2-CG2 4.3Å; T333-V337 WeakPolarHBondContact O-CB 3.31Å; T333-V337 VanDerWaalsContact O-CG2 3.29Å; T333-V337 WeakPolarHBondContact O-CG2 3.44Å; T333-V337 PolarHBondContact O-N 3.04Å; R335-V337 PolarHBondContact O-N 2.9Å; V337-L342 PolarHBondContact O-N 3.48Å; V337-V346 HydrophobicContact CG1-CG2 4.14Å |
| 338 | R | 85.7 | Confident | 86.8 | Confident | 120 Ų | 120 | 41 Ų | 41 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -84.2 | -34 | -175.8 | -68.7 | -175.5 | -174.5 | -172.1 | 4.5 | 114.2 | S306 E310 Q334 R335 F336 | S306-R338 PolarHBondContact OG-NE 3.37Å; S306-R338 PolarHBondContact OG-NH2 3.4Å; E310-R338 IonicContact OE1-CZ 3.07Å; E310-R338 IonicContact OE1-NE 2.89Å; E310-R338 PolarHBondContact OE1-NE 3.39Å; E310-R338 IonicContact OE1-NH2 3.85Å; E310-R338 PolarHBondContact OE1-NH2 2.88Å; Q334-R338 WeakPolarHBondContact O-CB 3.48Å; Q334-R338 WeakPolarHBondContact O-CG 3.3Å; Q334-R338 PolarHBondContact O-N 3.46Å; R335-R338 PolarHBondContact O-N 3.37Å; F336-R338 PolarHBondContact O-N 3.47Å |
| 339 | H | 81.9 | Confident | 87.2 | Confident | 125 Ų | 125 | 39.9 Ų | 39.9 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | I | π-helix | trans | -107.5 | -36.7 | -172.4 | -62.1 | 87.8 | 0 | 0 | 0 | 113.7 | R335 | R335-H339 WeakPolarHBondContact O-CB 3.42Å; R335-H339 PolarHBondContact O-N 3.41Å; R335-H339 PolarHBondContact O-ND1 3.03Å |
| 340 | A | 84.5 | Confident | 87.7 | Confident | 30 Ų | 30 | 40 Ų | 40 | 25% | 0.248 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -93.7 | -52.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F336 Y372 | F336-A340 HydrophobicContact CD2-CB 3.84Å; F336-A340 HydrophobicContact CE2-CB 4.17Å; F336-A340 WeakPolarHBondContact O-CB 3.33Å; F336-A340 PolarHBondContact O-N 3.28Å; A340-Y372 HydrophobicContact CB-CD2 3.49Å; A340-Y372 VanDerWaalsContact CB-CD2 3.49Å; A340-Y372 HydrophobicContact CB-CE2 3.6Å; A340-Y372 HydrophobicContact CB-CG 4.39Å |
| 341 | L | 86.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -81.5 | -33.3 | -171.3 | -170.2 | 62.7 | 0 | 0 | 0 | 113.3 | L164 I313 F336 G345 V346 L349 | L164-L341 HydrophobicContact CD1-CD1 3.89Å; L164-L341 WeakPolarHBondContact CD2-O 3.5Å; I313-L341 HydrophobicContact CD1-CD2 3.77Å; I313-L341 HydrophobicContact CG1-CD2 4Å; F336-L341 PolarHBondContact O-N 2.68Å; L341-G345 WeakPolarHBondContact O-CA 3.18Å; L341-G345 PolarHBondContact O-N 2.89Å; L341-G345 VanDerWaalsContact O-N 3.16Å; L341-V346 HydrophobicContact CD2-CB 4.29Å; L341-V346 HydrophobicContact CD2-CG2 3.37Å; L341-V346 HydrophobicContact CG-CG2 3.84Å; L341-L349 HydrophobicContact CD1-CD1 3.66Å; L341-L349 HydrophobicContact CD1-CG 4.35Å; L341-L349 HydrophobicContact CD2-CD1 3.67Å; L341-L349 HydrophobicContact CG-CD1 4.3Å |
| 342 | L | 87 | Confident | 87.9 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | 57.8 | 173.7 | -176.7 | -60.6 | 168 | 0 | 0 | 0 | 112.9 | Q167 A168 R309 V337 V346 | Q167-L342 HydrophobicContact CB-CD1 4.47Å; A168-L342 HydrophobicContact CB-CD1 4.01Å; R309-L342 PolarHBondContact NH2-O 2.99Å; V337-L342 PolarHBondContact O-N 3.48Å; L342-V346 WeakPolarHBondContact O-CG2 3.45Å; L342-V346 PolarHBondContact O-N 3.1Å |
| 343 | P | 87.3 | Confident | 87.6 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 177 | -26.4 | 35.3 | 0 | 0 | 0 | 113.5 | G187 N188 T191 G345 V346 L347 | G187-P343 WeakPolarHBondContact O-CD 3.43Å; N188-P343 HydrophobicContact CB-CB 4.21Å; N188-P343 HydrophobicContact CB-CG 4.19Å; T191-P343 PolarHBondContact OG1-O 2.95Å; P343-G345 PolarHBondContact O-N 2.92Å; P343-V346 PolarHBondContact O-N 2.99Å; P343-L347 PolarHBondContact O-N 3.33Å |
| 344 | D | 88.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -36.9 | -177.5 | -72.5 | -7.7 | 0 | 0 | 0 | 112.5 | Q167 G187 N188 Y189 L190 T191 L347 L348 | Q167-D344 PolarHBondContact NE2-OD2 3.34Å; G187-D344 VanDerWaalsContact C-CG 3.45Å; G187-D344 VanDerWaalsContact O-CB 3.27Å; G187-D344 WeakPolarHBondContact O-CB 3.3Å; G187-D344 PolarHBondContact O-N 3.09Å; N188-D344 VanDerWaalsContact CA-OD1 3.23Å; N188-D344 WeakPolarHBondContact CA-OD1 3.48Å; Y189-D344 PolarHBondContact N-OD1 2.79Å; Y189-D344 PolarHBondContact N-OD2 3.44Å; L190-D344 HydrophobicContact CB-CB 4.2Å; L190-D344 PolarHBondContact N-OD1 2.85Å; L190-D344 PolarHBondContact N-OD2 2.84Å; L190-D344 VanDerWaalsContact N-OD2 3.08Å; T191-D344 WeakPolarHBondContact CB-OD1 3.26Å; T191-D344 PolarHBondContact N-OD1 2.69Å; T191-D344 PolarHBondContact OG1-OD1 3.33Å; D344-L347 WeakPolarHBondContact O-CB 3.41Å; D344-L347 PolarHBondContact O-N 3Å; D344-L348 WeakPolarHBondContact O-CG 3.33Å; D344-L348 PolarHBondContact O-N 2.71Å |
| 345 | G | 89.2 | Confident | 86.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L341 P343 L347 L348 L349 | L341-G345 WeakPolarHBondContact O-CA 3.18Å; L341-G345 PolarHBondContact O-N 2.89Å; L341-G345 VanDerWaalsContact O-N 3.16Å; P343-G345 PolarHBondContact O-N 2.92Å; G345-L347 VanDerWaalsContact C-N 3.3Å; G345-L347 PolarHBondContact O-N 2.92Å; G345-L348 PolarHBondContact O-N 2.98Å; G345-L349 WeakPolarHBondContact O-CG 3.39Å; G345-L349 PolarHBondContact O-N 3.2Å |
| 346 | V | 90.5 | Very high | 86.1 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 172.5 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | R309 M312 V337 L341 L342 P343 L349 R350 | R309-V346 HydrophobicContact CB-CG1 4.19Å; R309-V346 HydrophobicContact CB-CG2 4.35Å; R309-V346 HydrophobicContact CG-CG1 4.04Å; M312-V346 HydrophobicContact CE-CG1 3.7Å; M312-V346 HydrophobicContact SD-CG1 4.48Å; V337-V346 HydrophobicContact CG1-CG2 4.14Å; L341-V346 HydrophobicContact CD2-CB 4.29Å; L341-V346 HydrophobicContact CD2-CG2 3.37Å; L341-V346 HydrophobicContact CG-CG2 3.84Å; L342-V346 WeakPolarHBondContact O-CG2 3.45Å; L342-V346 PolarHBondContact O-N 3.1Å; P343-V346 PolarHBondContact O-N 2.99Å; V346-L349 PolarHBondContact O-N 3.23Å; V346-R350 WeakPolarHBondContact O-CG 3.23Å; V346-R350 PolarHBondContact O-N 2.96Å |
| 347 | L | 90.6 | Very high | 85.3 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 175.9 | 178.5 | 66.8 | 0 | 0 | 0 | 112.1 | L190 Y194 W299 P343 D344 G345 L349 R350 F351 | L190-L347 HydrophobicContact CD2-CD2 4.21Å; L190-L347 HydrophobicContact CG-CD2 3.9Å; Y194-L347 HydrophobicContact CD1-CD1 3.97Å; Y194-L347 HydrophobicContact CE1-CD1 4.27Å; W299-L347 HydrophobicContact CE3-CD1 4.48Å; W299-L347 HydrophobicContact CH2-CD1 4.04Å; W299-L347 HydrophobicContact CZ3-CD1 3.55Å; P343-L347 PolarHBondContact O-N 3.33Å; D344-L347 WeakPolarHBondContact O-CB 3.41Å; D344-L347 PolarHBondContact O-N 3Å; G345-L347 VanDerWaalsContact C-N 3.3Å; G345-L347 PolarHBondContact O-N 2.92Å; L347-L349 PolarHBondContact O-N 2.86Å; L347-R350 WeakPolarHBondContact O-CB 3.45Å; L347-R350 PolarHBondContact O-N 3.34Å; L347-R350 VanDerWaalsContact O-N 3.15Å; L347-F351 HydrophobicContact CD1-CE1 3.92Å; L347-F351 HydrophobicContact CD1-CE2 3.99Å; L347-F351 HydrophobicContact CD1-CZ 3.61Å; L347-F351 HydrophobicContact CD2-CE2 3.97Å; L347-F351 HydrophobicContact CD2-CZ 4.11Å; L347-F351 HydrophobicContact CG-CD2 4.23Å; L347-F351 HydrophobicContact CG-CE1 4.49Å; L347-F351 HydrophobicContact CG-CE2 3.66Å; L347-F351 HydrophobicContact CG-CZ 3.82Å; L347-F351 PolarHBondContact O-N 3.5Å |
| 348 | L | 89.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 176.4 | -71.1 | 175 | 0 | 0 | 0 | 111.8 | I129 V131 L160 L190 D344 G345 R350 F351 I352 | I129-L348 HydrophobicContact CD1-CD1 4.23Å; I129-L348 HydrophobicContact CG2-CD1 4.03Å; I129-L348 HydrophobicContact CG2-CD2 4.2Å; V131-L348 HydrophobicContact CB-CD2 4.45Å; V131-L348 HydrophobicContact CG1-CD2 4.02Å; V131-L348 HydrophobicContact CG2-CD2 4Å; L160-L348 HydrophobicContact CD2-CB 4.48Å; L160-L348 HydrophobicContact CD2-CD1 3.77Å; L190-L348 HydrophobicContact CD2-CD2 3.94Å; L190-L348 HydrophobicContact CD2-CG 4.29Å; D344-L348 WeakPolarHBondContact O-CG 3.33Å; D344-L348 PolarHBondContact O-N 2.71Å; G345-L348 PolarHBondContact O-N 2.98Å; L348-R350 VanDerWaalsContact C-N 3.27Å; L348-R350 PolarHBondContact O-N 2.8Å; L348-F351 PolarHBondContact O-N 2.93Å; L348-F351 VanDerWaalsContact O-N 3.12Å; L348-I352 WeakPolarHBondContact O-CG1 3.45Å; L348-I352 PolarHBondContact O-N 3.43Å |
| 349 | L | 89.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -34.5 | 176.1 | -70.2 | 177.2 | 0 | 0 | 0 | 112.1 | L160 I313 L341 G345 V346 L347 I352 K353 I365 L368 | L160-L349 HydrophobicContact CD1-CD2 4.5Å; I313-L349 HydrophobicContact CD1-CD1 3.86Å; L341-L349 HydrophobicContact CD1-CD1 3.66Å; L341-L349 HydrophobicContact CD1-CG 4.35Å; L341-L349 HydrophobicContact CD2-CD1 3.67Å; L341-L349 HydrophobicContact CG-CD1 4.3Å; G345-L349 WeakPolarHBondContact O-CG 3.39Å; G345-L349 PolarHBondContact O-N 3.2Å; V346-L349 PolarHBondContact O-N 3.23Å; L347-L349 PolarHBondContact O-N 2.86Å; L349-I352 HydrophobicContact CD2-CD1 4.37Å; L349-I352 PolarHBondContact O-N 2.98Å; L349-K353 WeakPolarHBondContact O-CB 3.46Å; L349-K353 PolarHBondContact O-N 2.64Å; L349-I365 HydrophobicContact CD1-CD1 4.35Å; L349-I365 HydrophobicContact CD1-CG1 3.82Å; L349-I365 HydrophobicContact CD2-CG1 4.33Å; L349-L368 HydrophobicContact CD2-CD1 4.29Å |
| 350 | R | 89.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 21.2 Ų | 21.2 | 6% | 0.06 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 171.4 | -75.4 | 179.1 | -177.5 | -174.7 | 6.2 | 112.2 | S302 M312 V346 L347 L348 K353 N354 | S302-R350 PolarHBondContact O-NH2 3.47Å; S302-R350 PolarHBondContact OG-NH1 3.47Å; M312-R350 HydrophobicContact CE-CG 3.87Å; M312-R350 HydrophobicContact SD-CG 3.34Å; M312-R350 WeakPolarHBondContact SD-CG 2.99Å; M312-R350 PolarHBondContact SD-NE 3.31Å; V346-R350 WeakPolarHBondContact O-CG 3.23Å; V346-R350 PolarHBondContact O-N 2.96Å; L347-R350 WeakPolarHBondContact O-CB 3.45Å; L347-R350 PolarHBondContact O-N 3.34Å; L347-R350 VanDerWaalsContact O-N 3.15Å; L348-R350 VanDerWaalsContact C-N 3.27Å; L348-R350 PolarHBondContact O-N 2.8Å; R350-K353 WeakPolarHBondContact O-CB 3.33Å; R350-K353 PolarHBondContact O-N 3.27Å; R350-N354 PolarHBondContact O-N 2.96Å |
| 351 | F | 89.8 | Confident | 83 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 175.1 | -67 | -33.1 | 0 | 0 | 0 | 112 | Y17 V131 L135 Y194 W299 L347 L348 K353 N354 H355 | Y17-F351 VanDerWaalsContact O-CE1 3.3Å; Y17-F351 WeakPolarHBondContact O-CE1 3.35Å; V131-F351 HydrophobicContact CG1-CD2 4.21Å; L135-F351 HydrophobicContact CD1-CB 4Å; L135-F351 HydrophobicContact CD2-CB 3.74Å; L135-F351 HydrophobicContact CG-CB 4.5Å; Y194-F351 HydrophobicContact CD1-CE1 4.49Å; Y194-F351 HydrophobicContact CD1-CZ 4.12Å; Y194-F351 HydrophobicContact CD2-CZ 4Å; Y194-F351 AromaticContact CE1-CE1 3.87Å; Y194-F351 HydrophobicContact CE1-CE1 3.87Å; Y194-F351 AromaticContact CE1-CZ 3.93Å; Y194-F351 HydrophobicContact CE1-CZ 3.93Å; Y194-F351 HydrophobicContact CE2-CE1 4.1Å; Y194-F351 AromaticContact CE2-CZ 3.86Å; Y194-F351 HydrophobicContact CE2-CZ 3.86Å; Y194-F351 HydrophobicContact CG-CZ 4.14Å; Y194-F351 AromaticContact CZ-CE1 3.66Å; Y194-F351 AromaticContact CZ-CZ 3.82Å; W299-F351 HydrophobicContact CH2-CE1 4.45Å; L347-F351 HydrophobicContact CD1-CE1 3.92Å; L347-F351 HydrophobicContact CD1-CE2 3.99Å; L347-F351 HydrophobicContact CD1-CZ 3.61Å; L347-F351 HydrophobicContact CD2-CE2 3.97Å; L347-F351 HydrophobicContact CD2-CZ 4.11Å; L347-F351 HydrophobicContact CG-CD2 4.23Å; L347-F351 HydrophobicContact CG-CE1 4.49Å; L347-F351 HydrophobicContact CG-CE2 3.66Å; L347-F351 HydrophobicContact CG-CZ 3.82Å; L347-F351 PolarHBondContact O-N 3.5Å; L348-F351 PolarHBondContact O-N 2.93Å; L348-F351 VanDerWaalsContact O-N 3.12Å; F351-K353 VanDerWaalsContact C-N 3.33Å; F351-K353 PolarHBondContact O-N 2.87Å; F351-N354 PolarHBondContact O-N 3.5Å; F351-H355 PolarHBondContact O-N 3.47Å; F351-H355 VanDerWaalsContact O-N 3.12Å; F351-H355 PolarHBondContact O-ND1 3.41Å |
| 352 | I | 86.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 175 | -66 | 165.9 | 0 | 0 | 0 | 110.1 | V134 L135 A138 L160 L348 L349 N354 H355 S356 G357 L360 L364 | V134-I352 HydrophobicContact CG1-CD1 4.05Å; L135-I352 HydrophobicContact CD2-CB 4.34Å; L135-I352 HydrophobicContact CD2-CG1 3.66Å; A138-I352 HydrophobicContact CB-CG1 4.19Å; A138-I352 HydrophobicContact CB-CG2 3.98Å; L160-I352 HydrophobicContact CD1-CD1 4.33Å; L348-I352 WeakPolarHBondContact O-CG1 3.45Å; L348-I352 PolarHBondContact O-N 3.43Å; L349-I352 HydrophobicContact CD2-CD1 4.37Å; L349-I352 PolarHBondContact O-N 2.98Å; I352-N354 PolarHBondContact O-N 3.5Å; I352-H355 PolarHBondContact O-N 3.05Å; I352-S356 WeakPolarHBondContact O-CA 3.3Å; I352-S356 WeakPolarHBondContact O-CB 3.29Å; I352-S356 PolarHBondContact O-N 2.82Å; I352-G357 PolarHBondContact O-N 2.94Å; I352-L360 HydrophobicContact CG2-CD2 4.45Å; I352-L364 HydrophobicContact CD1-CD1 4.36Å; I352-L364 HydrophobicContact CG2-CD1 3.89Å |
| 353 | K | 81.9 | Confident | 82.2 | Confident | 42 Ų | 42 | 22.5 Ų | 22.5 | 18% | 0.183 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.9 | -49.1 | 175.7 | -175.1 | 178.5 | 166.6 | 161.6 | 0 | 111.8 | L349 R350 F351 H355 G357 D358 T361 | L349-K353 WeakPolarHBondContact O-CB 3.46Å; L349-K353 PolarHBondContact O-N 2.64Å; R350-K353 WeakPolarHBondContact O-CB 3.33Å; R350-K353 PolarHBondContact O-N 3.27Å; F351-K353 VanDerWaalsContact C-N 3.33Å; F351-K353 PolarHBondContact O-N 2.87Å; K353-H355 VanDerWaalsContact C-N 3.27Å; K353-H355 PolarHBondContact O-N 3.35Å; K353-G357 WeakPolarHBondContact O-CA 3.24Å; K353-G357 PolarHBondContact O-N 3.35Å; K353-D358 WeakPolarHBondContact CE-OD1 3.31Å; K353-D358 VanDerWaalsContact CG-OD1 3.25Å; K353-D358 WeakPolarHBondContact CG-OD1 3.4Å; K353-D358 IonicContact NZ-OD1 2.81Å; K353-T361 WeakPolarHBondContact CA-OG1 3.35Å; K353-T361 HydrophobicContact CB-CG2 4.1Å; K353-T361 PolarHBondContact N-OG1 2.83Å |
| 354 | N | 80.1 | Confident | 82.1 | Confident | 84 Ų | 84 | 21.6 Ų | 21.6 | 45% | 0.449 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -64.9 | -29.1 | -178.3 | -72.6 | -6.4 | 0 | 0 | 0 | 113.3 | R350 F351 I352 | R350-N354 PolarHBondContact O-N 2.96Å; F351-N354 PolarHBondContact O-N 3.5Å; I352-N354 PolarHBondContact O-N 3.5Å |
| 355 | H | 75.8 | Confident | 82.1 | Confident | 41 Ų | 41 | 21.6 Ų | 21.6 | 19% | 0.19 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -102.8 | -47.4 | -174.5 | -71.6 | 77.6 | 0 | 0 | 0 | 113.8 | Y16 D18 R23 F351 I352 K353 | Y16-H355 WeakPolarHBondContact CA-NE2 3.48Å; Y16-H355 PolarHBondContact O-CD2 3Å; Y16-H355 PolarHBondContact O-CE1 3.01Å; Y16-H355 PolarHBondContact O-ND1 3.45Å; Y16-H355 PolarHBondContact O-NE2 3.25Å; Y16-H355 VanDerWaalsContact O-NE2 3.07Å; D18-H355 PolarHBondContact O-CE1 2.83Å; D18-H355 IonicContact OD1-CE1 3.96Å; D18-H355 IonicContact OD1-NE2 3.8Å; R23-H355 PolarHBondContact NH2-NE2 3.12Å; F351-H355 PolarHBondContact O-N 3.47Å; F351-H355 VanDerWaalsContact O-N 3.12Å; F351-H355 PolarHBondContact O-ND1 3.41Å; I352-H355 PolarHBondContact O-N 3.05Å; K353-H355 VanDerWaalsContact C-N 3.27Å; K353-H355 PolarHBondContact O-N 3.35Å |
| 356 | S | 75.3 | Confident | 82 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -94.3 | -14.8 | -176.3 | -46.6 | 0 | 0 | 0 | 0 | 113.1 | A138 T139 I352 L360 R574 | A138-S356 VanDerWaalsContact C-OG 3.29Å; A138-S356 WeakPolarHBondContact CB-OG 3.43Å; A138-S356 PolarHBondContact O-OG 2.78Å; T139-S356 PolarHBondContact N-OG 3.39Å; I352-S356 WeakPolarHBondContact O-CA 3.3Å; I352-S356 WeakPolarHBondContact O-CB 3.29Å; I352-S356 PolarHBondContact O-N 2.82Å; S356-L360 VanDerWaalsContact CB-CD2 3.43Å; S356-R574 PolarHBondContact O-NH1 3.41Å |
| 357 | G | 71.3 | Confident | 81.7 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | trans | 86.9 | 165.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I352 K353 M359 L360 T361 | I352-G357 PolarHBondContact O-N 2.94Å; K353-G357 WeakPolarHBondContact O-CA 3.24Å; K353-G357 PolarHBondContact O-N 3.35Å; G357-M359 VanDerWaalsContact C-N 3.31Å; G357-M359 PolarHBondContact O-N 3.47Å; G357-L360 PolarHBondContact O-N 2.93Å; G357-T361 PolarHBondContact O-N 3.34Å; G357-T361 PolarHBondContact O-OG1 3.05Å | ||
| 358 | D | 70.5 | Confident | 81.7 | Confident | 63 Ų | 63 | 23.9 Ų | 23.9 | 34% | 0.337 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -57.5 | -37.3 | -170.2 | -66.8 | -3.7 | 0 | 0 | 0 | 114.1 | K353 T361 T362 | K353-D358 WeakPolarHBondContact CE-OD1 3.31Å; K353-D358 VanDerWaalsContact CG-OD1 3.25Å; K353-D358 WeakPolarHBondContact CG-OD1 3.4Å; K353-D358 IonicContact NZ-OD1 2.81Å; D358-T361 PolarHBondContact O-N 2.96Å; D358-T362 WeakPolarHBondContact O-CB 3.02Å; D358-T362 PolarHBondContact O-N 2.95Å; D358-T362 PolarHBondContact O-OG1 3.3Å |
| 359 | M | 66.8 | Low | 81.7 | Confident | 101 Ų | 101 | 24.3 Ų | 24.3 | 50% | 0.498 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.3 | -51.2 | -178 | -177.3 | -179.6 | 179.8 | 0 | 0 | 112.3 | G357 T361 T362 E363 | G357-M359 VanDerWaalsContact C-N 3.31Å; G357-M359 PolarHBondContact O-N 3.47Å; M359-T361 VanDerWaalsContact C-N 3.31Å; M359-T361 PolarHBondContact O-N 3.28Å; M359-T362 PolarHBondContact O-N 2.99Å; M359-E363 WeakPolarHBondContact CE-OE1 3.36Å; M359-E363 PolarHBondContact O-N 3.48Å; M359-E363 VanDerWaalsContact O-N 3.07Å |
| 360 | L | 74.2 | Confident | 81.6 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 179.9 | -174.5 | 72.6 | 0 | 0 | 0 | 110.4 | A138 A141 I153 I352 S356 G357 T362 E363 L364 | A138-L360 HydrophobicContact CB-CD2 3.95Å; A138-L360 WeakPolarHBondContact O-CD2 3.44Å; A141-L360 HydrophobicContact CB-CD1 4.16Å; A141-L360 HydrophobicContact CB-CD2 4.25Å; I153-L360 HydrophobicContact CD1-CD1 3.79Å; I153-L360 HydrophobicContact CG1-CD1 3.91Å; I352-L360 HydrophobicContact CG2-CD2 4.45Å; S356-L360 VanDerWaalsContact CB-CD2 3.43Å; G357-L360 PolarHBondContact O-N 2.93Å; L360-T362 VanDerWaalsContact C-N 3.35Å; L360-T362 PolarHBondContact O-N 2.93Å; L360-E363 PolarHBondContact O-N 3.43Å; L360-L364 HydrophobicContact CD2-CD1 4.27Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 HydrophobicContact CG-CG 4.39Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.21Å; L360-L364 PolarHBondContact O-N 3.39Å |
| 361 | T | 81.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.2 | -62 | 0 | 0 | 0 | 0 | 111.9 | K353 G357 D358 M359 L364 I365 | K353-T361 WeakPolarHBondContact CA-OG1 3.35Å; K353-T361 HydrophobicContact CB-CG2 4.1Å; K353-T361 PolarHBondContact N-OG1 2.83Å; G357-T361 PolarHBondContact O-N 3.34Å; G357-T361 PolarHBondContact O-OG1 3.05Å; D358-T361 PolarHBondContact O-N 2.96Å; M359-T361 VanDerWaalsContact C-N 3.31Å; M359-T361 PolarHBondContact O-N 3.28Å; T361-L364 PolarHBondContact O-N 3.42Å; T361-I365 HydrophobicContact CG2-CD1 3.63Å; T361-I365 HydrophobicContact CG2-CG1 4.26Å; T361-I365 WeakPolarHBondContact O-CB 3.45Å; T361-I365 VanDerWaalsContact O-CG1 3.22Å; T361-I365 WeakPolarHBondContact O-CG1 3.17Å; T361-I365 PolarHBondContact O-N 3.42Å |
| 362 | T | 76.6 | Confident | 81.3 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | H316 I319 T320 D358 M359 L360 L364 I365 A366 | H316-T362 PolarHBondContact CD2-OG1 3.43Å; I319-T362 HydrophobicContact CB-CG2 4.16Å; I319-T362 HydrophobicContact CD1-CG2 4.49Å; I319-T362 HydrophobicContact CG2-CG2 4.27Å; T320-T362 HydrophobicContact CG2-CG2 3.43Å; T320-T362 VanDerWaalsContact CG2-CG2 3.43Å; D358-T362 WeakPolarHBondContact O-CB 3.02Å; D358-T362 PolarHBondContact O-N 2.95Å; D358-T362 PolarHBondContact O-OG1 3.3Å; M359-T362 PolarHBondContact O-N 2.99Å; L360-T362 VanDerWaalsContact C-N 3.35Å; L360-T362 PolarHBondContact O-N 2.93Å; T362-L364 PolarHBondContact O-N 3.02Å; T362-I365 PolarHBondContact O-N 3.25Å; T362-A366 VanDerWaalsContact O-CB 3.29Å; T362-A366 WeakPolarHBondContact O-CB 3.27Å; T362-A366 PolarHBondContact O-N 3.25Å |
| 363 | E | 80.3 | Confident | 81.3 | Confident | 57 Ų | 57 | 34 Ų | 34 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.1 | -42 | 176.2 | -73 | 177.9 | -142.6 | 0 | 0 | 112.4 | R149 I153 M359 L360 A366 S367 | R149-E363 IonicContact CZ-OE1 3.21Å; R149-E363 IonicContact CZ-OE2 3.7Å; R149-E363 IonicContact NH1-OE1 2.68Å; R149-E363 IonicContact NH1-OE2 3.42Å; R149-E363 PolarHBondContact NH1-OE2 3.08Å; R149-E363 IonicContact NH2-OE1 3.83Å; R149-E363 PolarHBondContact NH2-OE1 3.32Å; R149-E363 IonicContact NH2-OE2 2.86Å; R149-E363 PolarHBondContact NH2-OE2 3.04Å; I153-E363 WeakPolarHBondContact CD1-OE2 3.48Å; M359-E363 WeakPolarHBondContact CE-OE1 3.36Å; M359-E363 PolarHBondContact O-N 3.48Å; M359-E363 VanDerWaalsContact O-N 3.07Å; L360-E363 PolarHBondContact O-N 3.43Å; E363-A366 PolarHBondContact O-N 3.48Å; E363-S367 WeakPolarHBondContact O-CB 3.26Å; E363-S367 PolarHBondContact O-N 2.86Å |
| 364 | L | 85.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.7 | -75.4 | 167.9 | 0 | 0 | 0 | 111.6 | I153 L156 C157 I352 L360 T361 T362 A366 S367 L368 | I153-L364 HydrophobicContact CG2-CD2 3.79Å; I153-L364 HydrophobicContact CG2-CG 4.48Å; L156-L364 HydrophobicContact CB-CD2 4.26Å; L156-L364 HydrophobicContact CD2-CD1 3.8Å; L156-L364 HydrophobicContact CD2-CD2 3.8Å; L156-L364 HydrophobicContact CD2-CG 4.47Å; L156-L364 HydrophobicContact CG-CD2 4.11Å; C157-L364 VanDerWaalsContact SG-CD2 3.6Å; I352-L364 HydrophobicContact CD1-CD1 4.36Å; I352-L364 HydrophobicContact CG2-CD1 3.89Å; L360-L364 HydrophobicContact CD2-CD1 4.27Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 HydrophobicContact CG-CG 4.39Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.21Å; L360-L364 PolarHBondContact O-N 3.39Å; T361-L364 PolarHBondContact O-N 3.42Å; T362-L364 PolarHBondContact O-N 3.02Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 3.34Å; L364-S367 PolarHBondContact O-N 3.27Å; L364-L368 WeakPolarHBondContact O-CB 3.37Å; L364-L368 VanDerWaalsContact O-CG 3.23Å; L364-L368 WeakPolarHBondContact O-CG 3.5Å; L364-L368 PolarHBondContact O-N 3.05Å |
| 365 | I | 88.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 176.9 | -73.4 | 169.9 | 0 | 0 | 0 | 110.4 | I313 H316 L317 L349 T361 T362 L368 F369 | I313-I365 HydrophobicContact CD1-CD1 3.83Å; I313-I365 HydrophobicContact CD1-CG1 4.33Å; I313-I365 HydrophobicContact CG2-CG2 4.19Å; H316-I365 HydrophobicContact CB-CD1 3.75Å; H316-I365 HydrophobicContact CB-CG2 4.42Å; L317-I365 HydrophobicContact CD2-CG2 3.57Å; L317-I365 HydrophobicContact CG-CG2 3.74Å; L349-I365 HydrophobicContact CD1-CD1 4.35Å; L349-I365 HydrophobicContact CD1-CG1 3.82Å; L349-I365 HydrophobicContact CD2-CG1 4.33Å; T361-I365 HydrophobicContact CG2-CD1 3.63Å; T361-I365 HydrophobicContact CG2-CG1 4.26Å; T361-I365 WeakPolarHBondContact O-CB 3.45Å; T361-I365 VanDerWaalsContact O-CG1 3.22Å; T361-I365 WeakPolarHBondContact O-CG1 3.17Å; T361-I365 PolarHBondContact O-N 3.42Å; T362-I365 PolarHBondContact O-N 3.25Å; I365-L368 PolarHBondContact O-N 3.01Å; I365-F369 VanDerWaalsContact O-CB 3.24Å; I365-F369 WeakPolarHBondContact O-CB 3.35Å; I365-F369 PolarHBondContact O-N 2.97Å |
| 366 | A | 85.6 | Confident | 81.8 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T320 T362 E363 L364 F369 K370 | T320-A366 HydrophobicContact CG2-CB 3.88Å; T320-A366 WeakPolarHBondContact OG1-CB 3.21Å; T362-A366 VanDerWaalsContact O-CB 3.29Å; T362-A366 WeakPolarHBondContact O-CB 3.27Å; T362-A366 PolarHBondContact O-N 3.25Å; E363-A366 PolarHBondContact O-N 3.48Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 3.34Å; A366-F369 PolarHBondContact O-N 3.31Å; A366-K370 WeakPolarHBondContact O-CB 3.34Å; A366-K370 PolarHBondContact O-N 3.1Å |
| 367 | S | 86.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -47.2 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | E363 L364 F369 K370 D371 | E363-S367 WeakPolarHBondContact O-CB 3.26Å; E363-S367 PolarHBondContact O-N 2.86Å; L364-S367 PolarHBondContact O-N 3.27Å; S367-F369 VanDerWaalsContact C-N 3.3Å; S367-F369 PolarHBondContact O-N 3.01Å; S367-K370 PolarHBondContact O-N 3.19Å; S367-D371 WeakPolarHBondContact O-CB 3.46Å; S367-D371 VanDerWaalsContact O-CG 3.26Å; S367-D371 PolarHBondContact O-N 2.84Å |
| 368 | L | 90.2 | Very high | 81.5 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 177 | -71.1 | 170.8 | 0 | 0 | 0 | 112.2 | C157 L160 E161 F336 L349 L364 I365 Y372 | C157-L368 HydrophobicContact CB-CD2 3.91Å; C157-L368 HydrophobicContact CB-CG 4.41Å; L160-L368 HydrophobicContact CD1-CD1 4.32Å; E161-L368 HydrophobicContact CG-CD2 3.57Å; F336-L368 HydrophobicContact CE2-CB 4.43Å; F336-L368 HydrophobicContact CZ-CB 3.92Å; L349-L368 HydrophobicContact CD2-CD1 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.37Å; L364-L368 VanDerWaalsContact O-CG 3.23Å; L364-L368 WeakPolarHBondContact O-CG 3.5Å; L364-L368 PolarHBondContact O-N 3.05Å; I365-L368 PolarHBondContact O-N 3.01Å; L368-Y372 VanDerWaalsContact O-CB 3.3Å; L368-Y372 WeakPolarHBondContact O-CB 3.47Å; L368-Y372 PolarHBondContact O-N 3.16Å |
| 369 | F | 89.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.044 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 178.6 | -176.5 | -102.3 | 0 | 0 | 0 | 111.8 | L317 T321 F323 L332 F336 I365 A366 S367 Y372 V373 | L317-F369 HydrophobicContact CD1-CD2 3.9Å; L317-F369 HydrophobicContact CD1-CE2 4.24Å; L317-F369 HydrophobicContact CD1-CG 4.14Å; L317-F369 HydrophobicContact CD2-CB 3.53Å; L317-F369 HydrophobicContact CD2-CD1 3.89Å; L317-F369 HydrophobicContact CD2-CD2 4.22Å; L317-F369 HydrophobicContact CD2-CG 3.6Å; T321-F369 HydrophobicContact CG2-CD1 4.34Å; T321-F369 HydrophobicContact CG2-CE1 4.05Å; F323-F369 AromaticContact CE1-CE1 3.81Å; F323-F369 HydrophobicContact CE1-CE1 3.81Å; F323-F369 AromaticContact CE1-CZ 3.65Å; F323-F369 HydrophobicContact CE1-CZ 3.65Å; F323-F369 HydrophobicContact CZ-CE1 4.2Å; F323-F369 HydrophobicContact CZ-CZ 4.23Å; L332-F369 HydrophobicContact CB-CE2 4.42Å; L332-F369 HydrophobicContact CB-CZ 4.18Å; F336-F369 HydrophobicContact CB-CD2 4.16Å; F336-F369 HydrophobicContact CB-CE2 4.21Å; F336-F369 AromaticContact CD1-CD2 3.9Å; F336-F369 HydrophobicContact CD1-CD2 3.9Å; F336-F369 HydrophobicContact CD2-CD2 4.18Å; F336-F369 HydrophobicContact CE1-CB 4.41Å; F336-F369 HydrophobicContact CE1-CD2 4.32Å; F336-F369 AromaticContact CG-CD2 3.82Å; F336-F369 HydrophobicContact CG-CD2 3.82Å; F336-F369 HydrophobicContact CG-CE2 4.38Å; F336-F369 HydrophobicContact CZ-CB 4.31Å; I365-F369 VanDerWaalsContact O-CB 3.24Å; I365-F369 WeakPolarHBondContact O-CB 3.35Å; I365-F369 PolarHBondContact O-N 2.97Å; A366-F369 PolarHBondContact O-N 3.31Å; S367-F369 VanDerWaalsContact C-N 3.3Å; S367-F369 PolarHBondContact O-N 3.01Å; F369-Y372 WeakPolarHBondContact O-CB 3.19Å; F369-Y372 PolarHBondContact O-N 3.16Å; F369-V373 HydrophobicContact CD1-CG2 4.16Å; F369-V373 HydrophobicContact CE1-CG2 3.68Å; F369-V373 HydrophobicContact CE2-CG2 4.19Å; F369-V373 HydrophobicContact CZ-CG2 3.69Å; F369-V373 WeakPolarHBondContact O-CG2 3.44Å; F369-V373 PolarHBondContact O-N 3.39Å |
| 370 | K | 87.4 | Confident | 80.1 | Confident | 124 Ų | 124 | 51.5 Ų | 51.5 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 174.2 | -179.8 | 178.4 | 172.8 | 176.9 | 0 | 111 | A366 S367 Y372 V373 E374 | A366-K370 WeakPolarHBondContact O-CB 3.34Å; A366-K370 PolarHBondContact O-N 3.1Å; S367-K370 PolarHBondContact O-N 3.19Å; K370-Y372 VanDerWaalsContact C-N 3.25Å; K370-Y372 PolarHBondContact O-N 2.87Å; K370-V373 PolarHBondContact O-N 3.29Å; K370-V373 VanDerWaalsContact O-N 3.16Å; K370-E374 WeakPolarHBondContact CE-OE1 3.14Å; K370-E374 IonicContact NZ-OE1 2.88Å; K370-E374 WeakPolarHBondContact O-CG 3.32Å; K370-E374 PolarHBondContact O-N 3.41Å |
| 371 | D | 86.7 | Confident | 78.7 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.214 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -36.9 | 178.8 | -67.3 | -17.7 | 0 | 0 | 0 | 111.1 | E161 S367 R375 | E161-D371 WeakPolarHBondContact OE1-CB 3.44Å; S367-D371 WeakPolarHBondContact O-CB 3.46Å; S367-D371 VanDerWaalsContact O-CG 3.26Å; S367-D371 PolarHBondContact O-N 2.84Å; D371-R375 WeakPolarHBondContact O-CB 3.33Å; D371-R375 VanDerWaalsContact O-CG 3.29Å; D371-R375 WeakPolarHBondContact O-CG 3.35Å; D371-R375 PolarHBondContact O-N 2.88Å |
| 372 | Y | 87 | Confident | 76.8 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 174.1 | 174.9 | -99.9 | 0 | 0 | 0 | 113.8 | F336 A340 L368 F369 K370 N376 L378 | F336-Y372 HydrophobicContact CB-CD1 4.13Å; F336-Y372 HydrophobicContact CB-CE1 4.02Å; F336-Y372 AromaticContact CD2-CD1 3.7Å; F336-Y372 HydrophobicContact CD2-CD1 3.7Å; F336-Y372 HydrophobicContact CD2-CD2 4.01Å; F336-Y372 HydrophobicContact CD2-CE1 4.29Å; F336-Y372 AromaticContact CD2-CG 3.54Å; F336-Y372 HydrophobicContact CD2-CG 3.54Å; F336-Y372 HydrophobicContact CE2-CG 4.13Å; F336-Y372 HydrophobicContact CG-CD1 4.33Å; A340-Y372 HydrophobicContact CB-CD2 3.49Å; A340-Y372 VanDerWaalsContact CB-CD2 3.49Å; A340-Y372 HydrophobicContact CB-CE2 3.6Å; A340-Y372 HydrophobicContact CB-CG 4.39Å; L368-Y372 VanDerWaalsContact O-CB 3.3Å; L368-Y372 WeakPolarHBondContact O-CB 3.47Å; L368-Y372 PolarHBondContact O-N 3.16Å; F369-Y372 WeakPolarHBondContact O-CB 3.19Å; F369-Y372 PolarHBondContact O-N 3.16Å; K370-Y372 VanDerWaalsContact C-N 3.25Å; K370-Y372 PolarHBondContact O-N 2.87Å; Y372-N376 WeakPolarHBondContact CD2-ND2 3.38Å; Y372-N376 WeakPolarHBondContact CE2-ND2 3.17Å; Y372-N376 PolarHBondContact O-N 2.95Å; Y372-N376 PolarHBondContact O-ND2 3.18Å; Y372-L378 HydrophobicContact CD1-CD1 4.32Å; Y372-L378 HydrophobicContact CE1-CD1 3.67Å |
| 373 | V | 86.6 | Confident | 75 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.17 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 178.8 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | F369 K370 H377 L378 A379 | F369-V373 HydrophobicContact CD1-CG2 4.16Å; F369-V373 HydrophobicContact CE1-CG2 3.68Å; F369-V373 HydrophobicContact CE2-CG2 4.19Å; F369-V373 HydrophobicContact CZ-CG2 3.69Å; F369-V373 WeakPolarHBondContact O-CG2 3.44Å; F369-V373 PolarHBondContact O-N 3.39Å; K370-V373 PolarHBondContact O-N 3.29Å; K370-V373 VanDerWaalsContact O-N 3.16Å; V373-H377 PolarHBondContact O-N 3.25Å; V373-L378 HydrophobicContact CG1-CB 4.27Å; V373-L378 PolarHBondContact O-N 2.86Å; V373-L378 VanDerWaalsContact O-N 3.1Å; V373-A379 HydrophobicContact CG1-CB 4.39Å |
| 374 | E | 85.7 | Confident | 72.9 | Confident | 113 Ų | 113 | 63.5 Ų | 63.5 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 177.1 | -72.8 | 179.8 | -173.8 | 0 | 0 | 111.5 | K370 N376 H377 | K370-E374 WeakPolarHBondContact CE-OE1 3.14Å; K370-E374 IonicContact NZ-OE1 2.88Å; K370-E374 WeakPolarHBondContact O-CG 3.32Å; K370-E374 PolarHBondContact O-N 3.41Å; E374-N376 PolarHBondContact O-N 3.24Å; E374-H377 PolarHBondContact O-N 3.35Å |
| 375 | R | 81.2 | Confident | 70.6 | Confident | 150 Ų | 150 | 71.7 Ų | 71.7 | 57% | 0.566 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.6 | -36 | -179.6 | -77.7 | -179.3 | -174.9 | 152.4 | 10.7 | 114.5 | E161 D371 H377 | E161-R375 IonicContact OE1-NH1 3.66Å; E161-R375 IonicContact OE2-CZ 3.14Å; E161-R375 IonicContact OE2-NH1 2.79Å; E161-R375 PolarHBondContact OE2-NH1 2.87Å; E161-R375 IonicContact OE2-NH2 2.68Å; E161-R375 PolarHBondContact OE2-NH2 3.18Å; D371-R375 WeakPolarHBondContact O-CB 3.33Å; D371-R375 VanDerWaalsContact O-CG 3.29Å; D371-R375 WeakPolarHBondContact O-CG 3.35Å; D371-R375 PolarHBondContact O-N 2.88Å; R375-H377 VanDerWaalsContact C-N 3.32Å |
| 376 | N | 80.4 | Confident | 68 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 43% | 0.428 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 8.4 | -178.3 | -67 | -66.7 | 0 | 0 | 0 | 113.1 | Y372 E374 L378 | Y372-N376 WeakPolarHBondContact CD2-ND2 3.38Å; Y372-N376 WeakPolarHBondContact CE2-ND2 3.17Å; Y372-N376 PolarHBondContact O-N 2.95Å; Y372-N376 PolarHBondContact O-ND2 3.18Å; E374-N376 PolarHBondContact O-N 3.24Å; N376-L378 HydrophobicContact CB-CD1 3.66Å; N376-L378 HydrophobicContact CB-CG 3.64Å; N376-L378 PolarHBondContact O-N 3.44Å |
| 377 | H | 73.9 | Confident | 65.4 | Low | 147 Ų | 147 | 83.7 Ų | 83.7 | 68% | 0.681 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 32.4 | -175.3 | -59.4 | -74.8 | 0 | 0 | 0 | 113.2 | V373 E374 R375 A379 | V373-H377 PolarHBondContact O-N 3.25Å; E374-H377 PolarHBondContact O-N 3.35Å; R375-H377 VanDerWaalsContact C-N 3.32Å; H377-A379 PolarHBondContact O-N 3.12Å |
| 378 | L | 66.7 | Low | 62.8 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 9% | 0.094 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -76.8 | -12.4 | -173.8 | -71.6 | 168 | 0 | 0 | 0 | 112.8 | L332 Y372 V373 N376 D380 T381 | L332-L378 HydrophobicContact CD2-CB 4.25Å; L332-L378 HydrophobicContact CD2-CD1 3.97Å; L332-L378 HydrophobicContact CD2-CD2 4.43Å; L332-L378 HydrophobicContact CD2-CG 4.45Å; Y372-L378 HydrophobicContact CD1-CD1 4.32Å; Y372-L378 HydrophobicContact CE1-CD1 3.67Å; V373-L378 HydrophobicContact CG1-CB 4.27Å; V373-L378 PolarHBondContact O-N 2.86Å; V373-L378 VanDerWaalsContact O-N 3.1Å; N376-L378 HydrophobicContact CB-CD1 3.66Å; N376-L378 HydrophobicContact CB-CG 3.64Å; N376-L378 PolarHBondContact O-N 3.44Å; L378-D380 PolarHBondContact O-N 3.33Å; L378-T381 PolarHBondContact O-N 3.36Å; L378-T381 PolarHBondContact O-OG1 3.39Å |
| 379 | A | 57.8 | Low | 60 | Low | 73 Ų | 73 | 93.3 Ų | 93.3 | 60% | 0.603 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -56.3 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V373 H377 | V373-A379 HydrophobicContact CG1-CB 4.39Å; H377-A379 PolarHBondContact O-N 3.12Å |
| 380 | D | 50.6 | Low | 57.1 | Low | 130 Ų | 130 | 103.7 Ų | 103.7 | 70% | 0.695 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -85.6 | -14.4 | -177.3 | -71.2 | -25.4 | 0 | 0 | 0 | 114.2 | L378 | L378-D380 PolarHBondContact O-N 3.33Š|
| 381 | T | 44.4 | Very low | 54.1 | Low | 93 Ų | 93 | 105.7 Ų | 105.7 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -87.4 | -1.1 | -178 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | L378 D383 | L378-T381 PolarHBondContact O-N 3.36Å; L378-T381 PolarHBondContact O-OG1 3.39Å; T381-D383 VanDerWaalsContact C-N 3.3Å |
| 382 | A | 41.1 | Very low | 51.1 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -83.3 | 0.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P384 | A382-P384 WeakPolarHBondContact O-CD 3.21Š|
| 383 | D | 38.5 | Very low | 48.8 | Very low | 78 Ų | 78 | 113.6 Ų | 113.6 | 42% | 0.417 | 60% | 0.601 | S | S | . | * | trans | -92.4 | 101.7 | 176 | -167.9 | 0.6 | 0 | 0 | 0 | 111.3 | T381 K385 K386 | T381-D383 VanDerWaalsContact C-N 3.3Å; D383-K385 PolarHBondContact O-N 3.32Å; D383-K385 WeakPolarHBondContact OD1-CB 3.46Å; D383-K385 PolarHBondContact OD1-N 3.37Å; D383-K386 PolarHBondContact O-N 2.82Å | ||
| 384 | P | 38.1 | Very low | 46.1 | Very low | 98 Ų | 98 | 118.1 Ų | 118.1 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.3 | -11 | 178 | 23.3 | -32.2 | 0 | 0 | 0 | 113.6 | A382 | A382-P384 WeakPolarHBondContact O-CD 3.21Å |
| 385 | K | 36.6 | Very low | 43.2 | Very low | 173 Ų | 173 | 119.7 Ų | 119.7 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.9 | -13.7 | 177.6 | -69.2 | -177.7 | 176.6 | 177.3 | 0 | 114.4 | D383 | D383-K385 PolarHBondContact O-N 3.32Å; D383-K385 WeakPolarHBondContact OD1-CB 3.46Å; D383-K385 PolarHBondContact OD1-N 3.37Å |
| 386 | K | 33.5 | Very low | 40.5 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -92.7 | -24.7 | 177.5 | -83.5 | -178.9 | 177.4 | 173.6 | 0 | 114.6 | D383 L388 S389 | D383-K386 PolarHBondContact O-N 2.82Å; K386-L388 VanDerWaalsContact C-N 3.3Å; K386-L388 PolarHBondContact O-N 3.4Å; K386-S389 PolarHBondContact O-N 3.46Å; K386-S389 VanDerWaalsContact O-N 3.12Å; K386-S389 PolarHBondContact O-OG 3.13Å |
| 387 | D | 30.4 | Very low | 38 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.4 | -25.1 | 175.6 | -84.1 | -17 | 0 | 0 | 0 | 113.1 | S389 | D387-S389 PolarHBondContact O-N 3.48Å |
| 388 | L | 32.7 | Very low | 35.5 | Very low | 149 Ų | 149 | 124 Ų | 124 | 78% | 0.78 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -13.6 | 171.4 | -93.4 | 121.1 | 0 | 0 | 0 | 114 | K386 | K386-L388 VanDerWaalsContact C-N 3.3Å; K386-L388 PolarHBondContact O-N 3.4Å |
| 389 | S | 31.4 | Very low | 33.7 | Very low | 88 Ų | 88 | 131 Ų | 131 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -0.3 | 179.7 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | K386 D387 | K386-S389 PolarHBondContact O-N 3.46Å; K386-S389 VanDerWaalsContact O-N 3.12Å; K386-S389 PolarHBondContact O-OG 3.13Å; D387-S389 PolarHBondContact O-N 3.48Å |
| 390 | R | 29.3 | Very low | 32.1 | Very low | 228 Ų | 228 | 132 Ų | 132 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -117.9 | 50.4 | 173.5 | -83.5 | -176.7 | 167.9 | 175 | -3.7 | 112.4 | ||
| 391 | Q | 24.2 | Very low | 30.8 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -145.6 | 115.8 | 157.8 | -69.7 | -178.3 | -4.8 | 0 | 0 | 103.3 | ||||
| 392 | S | 23.8 | Very low | 29.9 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | cis | -174.5 | -180 | 32.3 | -54.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 393 | P | 38.2 | Very low | 29.1 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | cis | -138.3 | 157 | 3.4 | 39.5 | -21 | 0 | 0 | 0 | 115.6 | ||||
| 394 | S | 28.9 | Very low | 28.3 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | -162.1 | 132.2 | 128.3 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 395 | D | 25.5 | Very low | 27.7 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 164.2 | -177.1 | -144.5 | -12.8 | 0 | 0 | 0 | 113.5 | ||||
| 396 | N | 25.1 | Very low | 27.1 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 86.4 | 111.4 | 171 | -57.9 | -32.8 | 0 | 0 | 0 | 119.4 | ||||
| 397 | G | 27.7 | Very low | 26.8 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 141 | 90 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D399 | G397-D399 PolarHBondContact O-N 3.37Š| ||
| 398 | R | 22.2 | Very low | 26.6 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -60.1 | 126.2 | 157.4 | -62.1 | 172.3 | -168 | 162.1 | 3.9 | 107.2 | ||||
| 399 | D | 27.1 | Very low | 26.1 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -174.6 | 141.6 | 129.2 | -88.3 | -25.2 | 0 | 0 | 0 | 110.6 | G397 | G397-D399 PolarHBondContact O-N 3.37Š| |||
| 400 | A | 25.2 | Very low | 25.8 | Very low | 93 Ų | 93 | 151 Ų | 151 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -78.6 | 149 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 401 | D | 23.5 | Very low | 25.5 | Very low | 129 Ų | 129 | 146 Ų | 146 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | trans | 81.8 | 139.8 | 147.2 | -138.2 | -4.2 | 0 | 0 | 0 | 120 | ||||
| 402 | H | 25.3 | Very low | 25.5 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 77.5 | 103.6 | 166.2 | -55.5 | -41.9 | 0 | 0 | 0 | 120.8 | ||||
| 403 | G | 24.1 | Very low | 25.5 | Very low | 66 Ų | 66 | 146.1 Ų | 146.1 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | 88.5 | 97 | 124.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 404 | F | 22.8 | Very low | 24.9 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -138.2 | 143.7 | 156 | -95.6 | -102.8 | 0 | 0 | 0 | 108.9 | ||||
| 405 | F | 23.9 | Very low | 24.9 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | cis | -175.5 | 156.1 | -18.4 | -131.5 | -95.9 | 0 | 0 | 0 | 104.4 | ||||
| 406 | D | 23.9 | Very low | 24.9 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | 78.5 | 80.7 | 160.4 | -58.5 | -39.1 | 0 | 0 | 0 | 120.5 | ||||
| 407 | A | 26.9 | Very low | 24.9 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 113.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | K409 | A407-K409 PolarHBondContact O-N 3.5Å; A407-K409 VanDerWaalsContact O-N 3.17Å | ||
| 408 | E | 26.6 | Very low | 24.8 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -55.6 | 117 | 169.4 | -82.2 | 174 | 143.3 | 0 | 0 | 110.5 | Y410 | E408-Y410 PolarHBondContact O-N 2.9Š| ||
| 409 | K | 22.2 | Very low | 25 | Very low | 202 Ų | 202 | 140 Ų | 140 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -58.9 | 113.8 | 166 | -90 | 171.4 | 171.6 | 170.9 | 0 | 109.1 | A407 | A407-K409 PolarHBondContact O-N 3.5Å; A407-K409 VanDerWaalsContact O-N 3.17Å | ||
| 410 | Y | 24.5 | Very low | 24.9 | Very low | 220 Ų | 220 | 139.2 Ų | 139.2 | 86% | 0.863 | 80% | 0.795 | S | S | * | * | trans | -60.8 | 138.6 | 157.9 | -84.1 | -88.6 | 0 | 0 | 0 | 109.8 | E408 S412 | E408-Y410 PolarHBondContact O-N 2.9Å; Y410-S412 PolarHBondContact O-N 2.85Å | ||
| 411 | P | 24.9 | Very low | 25.1 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 127.4 | -176.5 | -13.5 | 27.7 | 0 | 0 | 0 | 110.6 | D413 | P411-D413 PolarHBondContact O-N 3.44Š| ||
| 412 | S | 23.2 | Very low | 25.4 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -77.6 | 95.5 | 172 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | Y410 | Y410-S412 PolarHBondContact O-N 2.85Š| ||
| 413 | D | 24.8 | Very low | 25.5 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -84.6 | 112.6 | 161 | -123.4 | -7.4 | 0 | 0 | 0 | 108 | P411 | P411-D413 PolarHBondContact O-N 3.44Š| ||
| 414 | G | 25.3 | Very low | 25.7 | Very low | 61 Ų | 61 | 144 Ų | 144 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | trans | -76.9 | 121.6 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 415 | T | 28.4 | Very low | 26 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -154.9 | 99.3 | 147.9 | 8.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 416 | N | 25 | Very low | 26.2 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 31.5 | 105.7 | 148.4 | -61.5 | -13.5 | 0 | 0 | 0 | 119.7 | ||||
| 417 | G | 25.6 | Very low | 26.5 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | 58.6 | 100.2 | 119.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 418 | S | 25.3 | Very low | 26.5 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -164.1 | 126.8 | 131.8 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | N420 | S418-N420 PolarHBondContact O-N 2.86Š| ||
| 419 | M | 25.6 | Very low | 26.5 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -59.3 | 112.1 | 167.6 | -83.6 | 170.6 | 149.8 | 0 | 0 | 109.3 | ||||
| 420 | N | 26.7 | Very low | 26.9 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -146.8 | 119.1 | 153.2 | -86.7 | -33.7 | 0 | 0 | 0 | 108.6 | S418 | S418-N420 PolarHBondContact O-N 2.86Š| ||
| 421 | A | 29.5 | Very low | 27 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -58.9 | 134.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | L423 | A421-L423 PolarHBondContact O-N 2.91Å; A421-L423 VanDerWaalsContact O-N 3.14Å | ||
| 422 | P | 28.3 | Very low | 27.4 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -70.2 | 113.4 | 178.6 | 25.4 | -29.5 | 0 | 0 | 0 | 109.7 | L424 | P422-L424 PolarHBondContact O-N 3.23Š| ||
| 423 | L | 28.8 | Very low | 27.6 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 125.2 | 163.6 | -73.9 | 161.9 | 0 | 0 | 0 | 108.2 | A421 | A421-L423 PolarHBondContact O-N 2.91Å; A421-L423 VanDerWaalsContact O-N 3.14Å |
| 424 | L | 27.4 | Very low | 27.7 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 133.4 | 173.4 | -82.7 | 147.5 | 0 | 0 | 0 | 110.1 | P422 S426 | P422-L424 PolarHBondContact O-N 3.23Å; L424-S426 PolarHBondContact O-N 3.16Å; L424-S426 VanDerWaalsContact O-N 3.14Å |
| 425 | P | 29.5 | Very low | 27.9 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.3 | -177.2 | 16.1 | -20 | 0 | 0 | 0 | 110.6 | ||
| 426 | S | 28.6 | Very low | 27.7 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.6 | 164.5 | -40.4 | 0 | 0 | 0 | 0 | 109.3 | L424 | L424-S426 PolarHBondContact O-N 3.16Å; L424-S426 VanDerWaalsContact O-N 3.14Å |
| 427 | A | 28.6 | Very low | 27.9 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 146.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V429 | A427-V429 PolarHBondContact O-N 2.95Š|
| 428 | P | 28.4 | Very low | 28 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65 | 121.1 | -172.7 | 24.5 | -32.2 | 0 | 0 | 0 | 111.7 | I430 | P428-I430 PolarHBondContact O-N 2.76Š|
| 429 | V | 26.5 | Very low | 28 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -74.3 | 113.5 | 165.8 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | A427 S431 | A427-V429 PolarHBondContact O-N 2.95Å; V429-S431 PolarHBondContact O-N 3.43Å; V429-S431 VanDerWaalsContact O-N 3.1Å | ||
| 430 | I | 29.5 | Very low | 28.2 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 108.6 | 176.6 | -61.4 | 171.1 | 0 | 0 | 0 | 107.6 | P428 D432 | P428-I430 PolarHBondContact O-N 2.76Å; I430-D432 PolarHBondContact O-N 2.92Å | ||
| 431 | S | 27.9 | Very low | 28.2 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | -79.9 | 111.3 | 176.1 | 76.4 | 0 | 0 | 0 | 0 | 110.2 | V429 K433 | V429-S431 PolarHBondContact O-N 3.43Å; V429-S431 VanDerWaalsContact O-N 3.1Å; S431-K433 PolarHBondContact O-N 3.19Å | ||
| 432 | D | 32.5 | Very low | 28.1 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -65.7 | 89.2 | 170.1 | -71.8 | -39.8 | 0 | 0 | 0 | 110.9 | I430 | I430-D432 PolarHBondContact O-N 2.92Š| ||
| 433 | K | 28.1 | Very low | 28.1 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 78% | 0.778 | 82% | 0.824 | S | S | * | * | trans | -133.9 | 0.3 | 172.2 | -84.3 | -163.7 | 176.3 | -179.4 | 0 | 118.4 | S431 | S431-K433 PolarHBondContact O-N 3.19Š| ||
| 434 | N | 26.5 | Very low | 28 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -119.8 | 21.9 | -174.1 | -82.5 | 5 | 0 | 0 | 0 | 117.7 | ||
| 435 | N | 29.5 | Very low | 28.1 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -121.9 | 68.2 | 171.8 | -76.5 | -9.8 | 0 | 0 | 0 | 112.8 | ||||
| 436 | T | 24.4 | Very low | 28.2 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | trans | -100.3 | 72 | 160.4 | 42.4 | 0 | 0 | 0 | 0 | 109.6 | K438 | T436-K438 PolarHBondContact O-N 3.38Š| ||
| 437 | L | 29.7 | Very low | 28.4 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | -80.8 | 115.8 | 166.1 | -82.6 | 161.6 | 0 | 0 | 0 | 108.6 | A439 | L437-A439 PolarHBondContact O-N 3.36Š| ||
| 438 | K | 26.5 | Very low | 28.6 | Very low | 203 Ų | 203 | 146.5 Ų | 146.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -48.5 | 132 | 178.6 | -72.8 | 176.2 | 173.8 | 177.8 | 0 | 111.5 | T436 G440 | T436-K438 PolarHBondContact O-N 3.38Å; K438-G440 PolarHBondContact O-N 3.11Å | ||
| 439 | A | 26.3 | Very low | 28.7 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -63.4 | 93.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L437 | L437-A439 PolarHBondContact O-N 3.36Š| ||
| 440 | G | 28.8 | Very low | 29 | Very low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -80.8 | 144.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K438 | K438-G440 PolarHBondContact O-N 3.11Š| ||
| 441 | E | 27.6 | Very low | 29.4 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -51.8 | 139.2 | -170 | -70.7 | 162.4 | 127.5 | 0 | 0 | 115.6 | R443 | E441-R443 PolarHBondContact O-N 3.29Š| ||
| 442 | K | 26.8 | Very low | 29.6 | Very low | 216 Ų | 216 | 144.4 Ų | 144.4 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | trans | -65.5 | 90.8 | 176.2 | -64.1 | 176.6 | 178.9 | 178.3 | 0 | 111.1 | ||||
| 443 | R | 27.8 | Very low | 29.6 | Very low | 232 Ų | 232 | 141.8 Ų | 141.8 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | trans | -82.7 | 114.1 | 153.5 | -92.2 | -177.1 | 178 | 172.6 | 0.4 | 108.3 | E441 F445 | E441-R443 PolarHBondContact O-N 3.29Å; R443-F445 PolarHBondContact O-N 3.2Å | ||
| 444 | G | 26.7 | Very low | 30 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | -61.1 | 98.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 445 | F | 30.5 | Very low | 30.2 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 122 | 153.4 | -95.4 | -90.3 | 0 | 0 | 0 | 107.2 | R443 S447 | R443-F445 PolarHBondContact O-N 3.2Å; F445-S447 PolarHBondContact O-N 3.49Å; F445-S447 VanDerWaalsContact O-N 3.16Å |
| 446 | A | 32 | Very low | 30.4 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 122 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 447 | S | 31.5 | Very low | 31.2 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 128.4 | 173.9 | 43.6 | 0 | 0 | 0 | 0 | 109.1 | F445 | F445-S447 PolarHBondContact O-N 3.49Å; F445-S447 VanDerWaalsContact O-N 3.16Å |
| 448 | P | 32.2 | Very low | 31.8 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 148.6 | 176.9 | 23.2 | -30.5 | 0 | 0 | 0 | 109.6 | ||
| 449 | P | 30.6 | Very low | 32.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 147.6 | -179.8 | 23.6 | -31.8 | 0 | 0 | 0 | 110.1 | A451 | P449-A451 PolarHBondContact O-N 3.4Š|
| 450 | P | 34.2 | Very low | 34 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.2 | -178 | 20.6 | -30.9 | 0 | 0 | 0 | 109.8 | V452 | P450-V452 PolarHBondContact O-N 2.65Å; P450-V452 VanDerWaalsContact O-N 3.15Å |
| 451 | A | 36.5 | Very low | 35.2 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 123.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | P449 P453 | P449-A451 PolarHBondContact O-N 3.4Å; A451-P453 WeakPolarHBondContact O-CD 3.29Å |
| 452 | V | 34.1 | Very low | 36.9 | Very low | 131 Ų | 131 | 117.1 Ų | 117.1 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 121.1 | 170.7 | 178 | 0 | 0 | 0 | 0 | 106 | P450 | P450-V452 PolarHBondContact O-N 2.65Å; P450-V452 VanDerWaalsContact O-N 3.15Å |
| 453 | P | 31.8 | Very low | 39.2 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132.7 | 180 | 19.5 | -29.7 | 0 | 0 | 0 | 107.8 | A451 K455 | A451-P453 WeakPolarHBondContact O-CD 3.29Å; P453-K455 PolarHBondContact O-N 2.88Å |
| 454 | P | 36.9 | Very low | 42 | Very low | 118 Ų | 118 | 103.6 Ų | 103.6 | 77% | 0.766 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.5 | -178.2 | 21.4 | -31.1 | 0 | 0 | 0 | 107.6 | ||
| 455 | K | 30.1 | Very low | 45 | Very low | 171 Ų | 171 | 100.3 Ų | 100.3 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | trans | -44.8 | 142.6 | 171.1 | -82.2 | -177 | 177 | 179.6 | 0 | 108 | P453 K457 | P453-K455 PolarHBondContact O-N 2.88Å; K455-K457 PolarHBondContact O-N 2.9Å | ||
| 456 | P | 32.6 | Very low | 47.8 | Very low | 110 Ų | 110 | 91.1 Ų | 91.1 | 71% | 0.714 | 54% | 0.537 | S | S | * | . | trans | -43.6 | 138.3 | 177.1 | -24 | 31 | 0 | 0 | 0 | 109.1 | E458 | P456-E458 PolarHBondContact O-N 3.3Š| ||
| 457 | K | 42.2 | Very low | 50.6 | Low | 211 Ų | 211 | 89 Ų | 89 | 92% | 0.917 | 51% | 0.509 | S | S | * | . | trans | -54.4 | 78.7 | -175.6 | -66.4 | 177.5 | 177.9 | 179.5 | 0 | 111.3 | K455 H459 | K455-K457 PolarHBondContact O-N 2.9Å; K457-H459 PolarHBondContact O-N 2.89Å | ||
| 458 | E | 41.8 | Very low | 53.6 | Low | 100 Ų | 100 | 84.4 Ų | 84.4 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | trans | -64 | 127.4 | 164.9 | -71.1 | 178.6 | -149.9 | 0 | 0 | 105.2 | P456 P460 R467 | P456-E458 PolarHBondContact O-N 3.3Å; E458-P460 WeakPolarHBondContact O-CD 3.29Å; E458-R467 VanDerWaalsContact CD-NH1 3.35Å; E458-R467 IonicContact OE2-CZ 2.82Å; E458-R467 IonicContact OE2-NH1 3.47Å; E458-R467 PolarHBondContact OE2-NH1 3.44Å; E458-R467 IonicContact OE2-NH2 3.69Å | ||
| 459 | H | 49.8 | Very low | 56.5 | Low | 77 Ų | 77 | 79 Ų | 79 | 36% | 0.356 | 44% | 0.441 | S | S | . | . | trans | -58.9 | 114.1 | 177.4 | -113.7 | -83.2 | 0 | 0 | 0 | 107.8 | K457 Q461 D462 | K457-H459 PolarHBondContact O-N 2.89Å; H459-Q461 PolarHBondContact O-N 3.47Å; H459-D462 HydrophobicContact CB-CB 4.45Å; H459-D462 WeakPolarHBondContact CB-OD2 3.18Å; H459-D462 IonicContact CG-OD2 3.61Å; H459-D462 PolarHBondContact O-N 2.92Å | ||
| 460 | P | 50.7 | Low | 59.4 | Low | 40 Ų | 40 | 74.5 Ų | 74.5 | 26% | 0.26 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -3.5 | -162 | -16.1 | 28.2 | 0 | 0 | 0 | 115.5 | E458 C795 | E458-P460 WeakPolarHBondContact O-CD 3.29Å; P460-C795 HydrophobicContact CB-CB 3.66Å; P460-C795 WeakPolarHBondContact CB-SG 3.27Å |
| 461 | Q | 52.2 | Low | 62.2 | Low | 9 Ų | 9 | 74.5 Ų | 74.5 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -19.7 | -178.3 | -68.9 | 167.7 | 22.4 | 0 | 0 | 113 | H459 L575 L579 | H459-Q461 PolarHBondContact O-N 3.47Å; Q461-L575 HydrophobicContact CG-CD2 3.83Å; Q461-L575 HydrophobicContact CG-CG 4.07Å; Q461-L575 VanDerWaalsContact NE2-CG 3.27Å; Q461-L579 HydrophobicContact CB-CD1 4.34Å; Q461-L579 HydrophobicContact CG-CD1 3.07Å |
| 462 | D | 63.8 | Low | 64.9 | Low | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.064 | 38% | 0.375 | C | S | . | . | trans | -99.8 | 119.8 | -155.6 | -61.5 | -15.8 | 0 | 0 | 0 | 109.5 | H459 D466 R467 Y470 | H459-D462 HydrophobicContact CB-CB 4.45Å; H459-D462 WeakPolarHBondContact CB-OD2 3.18Å; H459-D462 IonicContact CG-OD2 3.61Å; H459-D462 PolarHBondContact O-N 2.92Å; D462-D466 HydrophobicContact CB-CB 4.08Å; D462-R467 HydrophobicContact CB-CG 3.99Å; D462-Y470 HydrophobicContact CB-CE1 4.13Å; D462-Y470 WeakPolarHBondContact OD2-CE1 3.36Å; D462-Y470 PolarHBondContact OD2-OH 3.01Å | ||
| 463 | D | 75.1 | Confident | 67.8 | Low | 53 Ų | 53 | 68.4 Ų | 68.4 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | trans | -58.2 | 155.8 | 173.2 | -164.3 | -20 | 0 | 0 | 0 | 109.2 | T465 D466 R467 N735 | D463-T465 PolarHBondContact O-N 3.29Å; D463-T465 VanDerWaalsContact O-N 3.14Å; D463-D466 PolarHBondContact N-OD2 3.01Å; D463-D466 VanDerWaalsContact N-OD2 3.14Å; D463-D466 WeakPolarHBondContact O-CB 3.24Å; D463-D466 PolarHBondContact O-N 3.45Å; D463-R467 PolarHBondContact O-N 3.37Å; D463-R467 VanDerWaalsContact O-N 3.12Å; D463-N735 PolarHBondContact OD2-ND2 3.44Å | ||
| 464 | F | 86.9 | Confident | 70.8 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -50.6 | -38.6 | 172.2 | 175.7 | -99.2 | 0 | 0 | 0 | 111.4 | R467 L468 | F464-R467 PolarHBondContact O-N 2.81Å; F464-L468 WeakPolarHBondContact O-CB 3.44Å; F464-L468 PolarHBondContact O-N 3.25Å |
| 465 | T | 90 | Very high | 73.6 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 177.4 | -51.6 | 0 | 0 | 0 | 0 | 112.8 | D463 L468 N469 C731 T732 N735 | D463-T465 PolarHBondContact O-N 3.29Å; D463-T465 VanDerWaalsContact O-N 3.14Å; T465-L468 WeakPolarHBondContact O-CB 3.42Å; T465-L468 PolarHBondContact O-N 3.15Å; T465-N469 PolarHBondContact O-N 3.39Å; T465-N469 PolarHBondContact O-ND2 2.83Å; T465-C731 HydrophobicContact CG2-CB 4.17Å; T465-T732 HydrophobicContact CG2-CG2 3.97Å; T465-N735 HydrophobicContact CG2-CB 3.67Å |
| 466 | D | 90 | Very high | 76.7 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 175.9 | -64.9 | -37.9 | 0 | 0 | 0 | 110 | D462 D463 L468 N469 Y470 K638 | D462-D466 HydrophobicContact CB-CB 4.08Å; D463-D466 PolarHBondContact N-OD2 3.01Å; D463-D466 VanDerWaalsContact N-OD2 3.14Å; D463-D466 WeakPolarHBondContact O-CB 3.24Å; D463-D466 PolarHBondContact O-N 3.45Å; D466-L468 VanDerWaalsContact C-N 3.28Å; D466-L468 PolarHBondContact O-N 3.19Å; D466-N469 WeakPolarHBondContact O-CA 3.14Å; D466-N469 WeakPolarHBondContact O-CB 3.24Å; D466-N469 PolarHBondContact O-N 3.36Å; D466-Y470 VanDerWaalsContact C-CD1 3.47Å; D466-Y470 HydrophobicContact CB-CD1 4.32Å; D466-Y470 HydrophobicContact CB-CE1 4.26Å; D466-Y470 WeakPolarHBondContact O-CD1 3.36Å; D466-Y470 PolarHBondContact O-N 3.47Å; D466-K638 WeakPolarHBondContact OD1-CE 3.39Å; D466-K638 IonicContact OD1-NZ 3.65Å; D466-K638 PolarHBondContact OD1-NZ 3.43Å; D466-K638 IonicContact OD2-NZ 2.64Å; D466-K638 PolarHBondContact OD2-NZ 3Å |
| 467 | R | 90.1 | Very high | 79.8 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 177 | -64.7 | -173.1 | -73.5 | -175.7 | -2.4 | 111.9 | E458 D462 D463 F464 N469 Y470 Y471 Y472 | E458-R467 VanDerWaalsContact CD-NH1 3.35Å; E458-R467 IonicContact OE2-CZ 2.82Å; E458-R467 IonicContact OE2-NH1 3.47Å; E458-R467 PolarHBondContact OE2-NH1 3.44Å; E458-R467 IonicContact OE2-NH2 3.69Å; D462-R467 HydrophobicContact CB-CG 3.99Å; D463-R467 PolarHBondContact O-N 3.37Å; D463-R467 VanDerWaalsContact O-N 3.12Å; F464-R467 PolarHBondContact O-N 2.81Å; R467-N469 PolarHBondContact O-N 2.84Å; R467-Y470 HydrophobicContact CB-CE1 4.34Å; R467-Y470 HydrophobicContact CG-CE1 3.91Å; R467-Y471 WeakPolarHBondContact O-CA 3.35Å; R467-Y471 VanDerWaalsContact O-CB 3.31Å; R467-Y471 WeakPolarHBondContact O-CB 3.27Å; R467-Y471 PolarHBondContact O-N 3.1Å; R467-Y472 HydrophobicContact CB-CD2 4.32Å; R467-Y472 HydrophobicContact CB-CE2 4.12Å; R467-Y472 WeakPolarHBondContact O-CD2 3.3Å; R467-Y472 PolarHBondContact O-N 2.88Å |
| 468 | L | 93.9 | Very high | 82.3 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -54.1 | -40.3 | 173.1 | -173 | 68.1 | 0 | 0 | 0 | 111.7 | F464 T465 D466 S473 W724 V728 C731 | F464-L468 WeakPolarHBondContact O-CB 3.44Å; F464-L468 PolarHBondContact O-N 3.25Å; T465-L468 WeakPolarHBondContact O-CB 3.42Å; T465-L468 PolarHBondContact O-N 3.15Å; D466-L468 VanDerWaalsContact C-N 3.28Å; D466-L468 PolarHBondContact O-N 3.19Å; L468-S473 WeakPolarHBondContact O-CB 3.27Å; L468-S473 PolarHBondContact O-N 2.93Å; L468-S473 PolarHBondContact O-OG 2.98Å; L468-W724 HydrophobicContact CD1-CH2 3.82Å; L468-W724 HydrophobicContact CD1-CZ2 3.73Å; L468-V728 HydrophobicContact CD2-CB 4.48Å; L468-V728 HydrophobicContact CD2-CG2 4.1Å; L468-V728 HydrophobicContact CG-CG2 4.04Å; L468-C731 HydrophobicContact CD2-CB 3.85Å |
| 469 | N | 93.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -77.8 | -71.6 | 177.8 | -73.6 | -94.7 | 0 | 0 | 0 | 112.1 | T465 D466 R467 Y471 S473 F557 F641 V645 V728 T732 | T465-N469 PolarHBondContact O-N 3.39Å; T465-N469 PolarHBondContact O-ND2 2.83Å; D466-N469 WeakPolarHBondContact O-CA 3.14Å; D466-N469 WeakPolarHBondContact O-CB 3.24Å; D466-N469 PolarHBondContact O-N 3.36Å; R467-N469 PolarHBondContact O-N 2.84Å; N469-Y471 PolarHBondContact O-N 3.05Å; N469-S473 VanDerWaalsContact O-CB 3.3Å; N469-S473 WeakPolarHBondContact O-CB 3.24Å; N469-F557 HydrophobicContact CB-CD1 4.08Å; N469-F557 HydrophobicContact CB-CE1 4.42Å; N469-F557 WeakPolarHBondContact OD1-CE1 3.4Å; N469-F641 HydrophobicContact CB-CD1 3.4Å; N469-F641 VanDerWaalsContact CB-CD1 3.4Å; N469-F641 HydrophobicContact CB-CE1 3.5Å; N469-F641 VanDerWaalsContact CB-CE1 3.5Å; N469-F641 HydrophobicContact CB-CG 4.42Å; N469-V645 WeakPolarHBondContact OD1-CG2 3.33Å; N469-V728 WeakPolarHBondContact OD1-CG1 3.41Å; N469-T732 WeakPolarHBondContact ND2-CG2 3.3Å; N469-T732 WeakPolarHBondContact OD1-CG2 3.39Å |
| 470 | Y | 92.2 | Very high | 86.9 | Confident | 19 Ų | 19 | 42 Ų | 42 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -76.2 | -24.5 | -164.9 | 81 | -95.3 | 0 | 0 | 0 | 113.2 | D462 D466 R467 T474 F557 Y558 N561 F641 | D462-Y470 HydrophobicContact CB-CE1 4.13Å; D462-Y470 WeakPolarHBondContact OD2-CE1 3.36Å; D462-Y470 PolarHBondContact OD2-OH 3.01Å; D466-Y470 VanDerWaalsContact C-CD1 3.47Å; D466-Y470 HydrophobicContact CB-CD1 4.32Å; D466-Y470 HydrophobicContact CB-CE1 4.26Å; D466-Y470 WeakPolarHBondContact O-CD1 3.36Å; D466-Y470 PolarHBondContact O-N 3.47Å; R467-Y470 HydrophobicContact CB-CE1 4.34Å; R467-Y470 HydrophobicContact CG-CE1 3.91Å; Y470-T474 WeakPolarHBondContact O-CB 3.14Å; Y470-T474 PolarHBondContact O-OG1 3.31Å; Y470-F557 WeakPolarHBondContact CA-O 3.26Å; Y470-Y558 HydrophobicContact CD2-CD2 4.32Å; Y470-Y558 HydrophobicContact CD2-CE2 4.22Å; Y470-N561 HydrophobicContact CD1-CB 4.07Å; Y470-N561 HydrophobicContact CD2-CB 4.25Å; Y470-N561 WeakPolarHBondContact CD2-ND2 3.01Å; Y470-N561 HydrophobicContact CG-CB 3.71Å; Y470-F641 HydrophobicContact CD1-CZ 4.4Å |
| 471 | Y | 91 | Very high | 88.9 | Confident | 124 Ų | 124 | 40.4 Ų | 40.4 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -101.4 | -65.4 | -177.3 | -178.7 | -102.4 | 0 | 0 | 0 | 111.5 | R467 N469 L475 | R467-Y471 WeakPolarHBondContact O-CA 3.35Å; R467-Y471 VanDerWaalsContact O-CB 3.31Å; R467-Y471 WeakPolarHBondContact O-CB 3.27Å; R467-Y471 PolarHBondContact O-N 3.1Å; N469-Y471 PolarHBondContact O-N 3.05Å; Y471-L475 VanDerWaalsContact O-CB 3.22Å; Y471-L475 WeakPolarHBondContact O-CB 3.41Å; Y471-L475 PolarHBondContact O-N 2.84Å |
| 472 | Y | 94.2 | Very high | 90.7 | Very high | 95 Ų | 95 | 45.7 Ų | 45.7 | 37% | 0.373 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -67.2 | -48.2 | -173.5 | -66.6 | -70 | 0 | 0 | 0 | 112.3 | R467 L475 I476 | R467-Y472 HydrophobicContact CB-CD2 4.32Å; R467-Y472 HydrophobicContact CB-CE2 4.12Å; R467-Y472 WeakPolarHBondContact O-CD2 3.3Å; R467-Y472 PolarHBondContact O-N 2.88Å; Y472-L475 PolarHBondContact O-N 3.49Å; Y472-I476 WeakPolarHBondContact O-CB 3.47Å; Y472-I476 VanDerWaalsContact O-CG1 3.28Å; Y472-I476 WeakPolarHBondContact O-CG1 3.48Å; Y472-I476 PolarHBondContact O-N 3.35Å |
| 473 | S | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -64.9 | -43.1 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | L468 N469 L475 I476 L477 W724 | L468-S473 WeakPolarHBondContact O-CB 3.27Å; L468-S473 PolarHBondContact O-N 2.93Å; L468-S473 PolarHBondContact O-OG 2.98Å; N469-S473 VanDerWaalsContact O-CB 3.3Å; N469-S473 WeakPolarHBondContact O-CB 3.24Å; S473-L475 PolarHBondContact O-N 3.3Å; S473-I476 PolarHBondContact O-N 3.47Å; S473-L477 WeakPolarHBondContact O-CB 3.46Å; S473-L477 WeakPolarHBondContact O-CD1 3.29Å; S473-L477 VanDerWaalsContact O-CG 3.3Å; S473-L477 WeakPolarHBondContact O-CG 3.42Å; S473-L477 PolarHBondContact O-N 3.35Å; S473-W724 PolarHBondContact OG-NE1 2.98Å |
| 474 | T | 94.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 173.7 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | Y470 L477 L478 A554 | Y470-T474 WeakPolarHBondContact O-CB 3.14Å; Y470-T474 PolarHBondContact O-OG1 3.31Å; T474-L477 PolarHBondContact O-N 3.44Å; T474-L478 HydrophobicContact CG2-CD1 4.05Å; T474-L478 HydrophobicContact CG2-CG 4.48Å; T474-L478 WeakPolarHBondContact O-CB 3.4Å; T474-L478 VanDerWaalsContact O-CG 3.31Å; T474-L478 WeakPolarHBondContact O-CG 3.27Å; T474-L478 PolarHBondContact O-N 3.4Å; T474-A554 HydrophobicContact CG2-CB 4.18Å |
| 475 | L | 94.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 39% | 0.393 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.9 | -46.7 | -179.8 | -179.6 | 64.3 | 0 | 0 | 0 | 111.7 | Y471 Y472 S473 L477 L478 I479 | Y471-L475 VanDerWaalsContact O-CB 3.22Å; Y471-L475 WeakPolarHBondContact O-CB 3.41Å; Y471-L475 PolarHBondContact O-N 2.84Å; Y472-L475 PolarHBondContact O-N 3.49Å; S473-L475 PolarHBondContact O-N 3.3Å; L475-L477 PolarHBondContact O-N 3.2Å; L475-L478 PolarHBondContact O-N 3.04Å; L475-I479 HydrophobicContact CD1-CD1 4.06Å; L475-I479 HydrophobicContact CD1-CG1 4.4Å; L475-I479 HydrophobicContact CG-CD1 3.94Å; L475-I479 VanDerWaalsContact O-CG1 3.31Å; L475-I479 WeakPolarHBondContact O-CG1 3.45Å; L475-I479 PolarHBondContact O-N 2.96Å |
| 476 | I | 96.3 | Very high | 92.1 | Very high | 37 Ų | 37 | 46 Ų | 46 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 176.5 | -74.3 | 167.2 | 0 | 0 | 0 | 110.4 | Y472 S473 L478 I479 L480 F720 L721 W724 | Y472-I476 WeakPolarHBondContact O-CB 3.47Å; Y472-I476 VanDerWaalsContact O-CG1 3.28Å; Y472-I476 WeakPolarHBondContact O-CG1 3.48Å; Y472-I476 PolarHBondContact O-N 3.35Å; S473-I476 PolarHBondContact O-N 3.47Å; I476-L478 PolarHBondContact O-N 3.11Å; I476-I479 PolarHBondContact O-N 2.69Å; I476-L480 HydrophobicContact CG2-CD1 3.81Å; I476-L480 VanDerWaalsContact O-CG 3.25Å; I476-L480 WeakPolarHBondContact O-CG 3.48Å; I476-L480 PolarHBondContact O-N 3.36Å; I476-F720 HydrophobicContact CG2-CE1 3.62Å; I476-F720 HydrophobicContact CG2-CZ 4.22Å; I476-L721 HydrophobicContact CG2-CD2 4.39Å; I476-W724 HydrophobicContact CD1-CD2 3.97Å; I476-W724 HydrophobicContact CD1-CE3 4.16Å; I476-W724 HydrophobicContact CD1-CH2 3.61Å; I476-W724 HydrophobicContact CD1-CZ2 3.39Å; I476-W724 HydrophobicContact CD1-CZ3 3.99Å |
| 477 | L | 96.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | -179.5 | -72.7 | 165.4 | 0 | 0 | 0 | 112.4 | S473 T474 L475 L480 A481 L550 Q553 A554 F557 L721 | S473-L477 WeakPolarHBondContact O-CB 3.46Å; S473-L477 WeakPolarHBondContact O-CD1 3.29Å; S473-L477 VanDerWaalsContact O-CG 3.3Å; S473-L477 WeakPolarHBondContact O-CG 3.42Å; S473-L477 PolarHBondContact O-N 3.35Å; T474-L477 PolarHBondContact O-N 3.44Å; L475-L477 PolarHBondContact O-N 3.2Å; L477-L480 PolarHBondContact O-N 3Å; L477-A481 WeakPolarHBondContact O-CB 2.94Å; L477-A481 PolarHBondContact O-N 2.67Å; L477-L550 HydrophobicContact CD2-CD2 3.82Å; L477-Q553 HydrophobicContact CD1-CB 3.96Å; L477-Q553 HydrophobicContact CD2-CB 4.33Å; L477-A554 HydrophobicContact CB-CB 3.67Å; L477-A554 HydrophobicContact CD1-CB 4.27Å; L477-F557 HydrophobicContact CD1-CD2 3.61Å; L477-F557 HydrophobicContact CD1-CE2 4.02Å; L477-L721 HydrophobicContact CD2-CD1 3.98Å; L477-L721 HydrophobicContact CD2-CD2 3.65Å; L477-L721 HydrophobicContact CD2-CG 4.49Å; L477-L721 HydrophobicContact CG-CD2 4.44Å |
| 478 | L | 94 | Very high | 91.5 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 41% | 0.408 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66 | -42 | 176.6 | -73.1 | 175 | 0 | 0 | 0 | 112.4 | T474 L475 I476 L480 A481 I482 A554 | T474-L478 HydrophobicContact CG2-CD1 4.05Å; T474-L478 HydrophobicContact CG2-CG 4.48Å; T474-L478 WeakPolarHBondContact O-CB 3.4Å; T474-L478 VanDerWaalsContact O-CG 3.31Å; T474-L478 WeakPolarHBondContact O-CG 3.27Å; T474-L478 PolarHBondContact O-N 3.4Å; L475-L478 PolarHBondContact O-N 3.04Å; I476-L478 PolarHBondContact O-N 3.11Å; L478-L480 VanDerWaalsContact C-N 3.34Å; L478-A481 PolarHBondContact O-N 3.1Å; L478-I482 VanDerWaalsContact O-CG1 3.28Å; L478-I482 WeakPolarHBondContact O-CG1 3.5Å; L478-I482 PolarHBondContact O-N 3.21Å; L478-A554 HydrophobicContact CD2-CB 4.06Å; L478-A554 HydrophobicContact CG-CB 4Å |
| 479 | I | 94.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 51% | 0.508 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.2 | -70 | 168.2 | 0 | 0 | 0 | 110.2 | L475 I476 I482 M483 | L475-I479 HydrophobicContact CD1-CD1 4.06Å; L475-I479 HydrophobicContact CD1-CG1 4.4Å; L475-I479 HydrophobicContact CG-CD1 3.94Å; L475-I479 VanDerWaalsContact O-CG1 3.31Å; L475-I479 WeakPolarHBondContact O-CG1 3.45Å; L475-I479 PolarHBondContact O-N 2.96Å; I476-I479 PolarHBondContact O-N 2.69Å; I479-I482 PolarHBondContact O-N 3.43Å; I479-M483 WeakPolarHBondContact O-CB 3.46Å; I479-M483 PolarHBondContact O-N 3.12Å |
| 480 | L | 95.1 | Very high | 89.5 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.1 | -67.1 | 169.3 | 0 | 0 | 0 | 111.6 | I476 L477 L478 I482 M483 V484 L550 I717 F720 L721 | I476-L480 HydrophobicContact CG2-CD1 3.81Å; I476-L480 VanDerWaalsContact O-CG 3.25Å; I476-L480 WeakPolarHBondContact O-CG 3.48Å; I476-L480 PolarHBondContact O-N 3.36Å; L477-L480 PolarHBondContact O-N 3Å; L478-L480 VanDerWaalsContact C-N 3.34Å; L480-I482 VanDerWaalsContact C-N 3.35Å; L480-I482 PolarHBondContact O-N 3.03Å; L480-M483 PolarHBondContact O-N 2.93Å; L480-V484 WeakPolarHBondContact O-CG2 3.36Å; L480-V484 PolarHBondContact O-N 3.05Å; L480-L550 HydrophobicContact CB-CD1 3.93Å; L480-I717 HydrophobicContact CD1-CG2 4.19Å; L480-I717 HydrophobicContact CD2-CD1 4.49Å; L480-I717 HydrophobicContact CD2-CG1 4.13Å; L480-I717 HydrophobicContact CD2-CG2 4.38Å; L480-F720 HydrophobicContact CD1-CD1 4.33Å; L480-F720 HydrophobicContact CD1-CE1 4.35Å; L480-L721 HydrophobicContact CD1-CD1 4.33Å; L480-L721 HydrophobicContact CD1-CD2 3.81Å; L480-L721 HydrophobicContact CD1-CG 4.13Å |
| 481 | A | 92.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L477 L478 S485 L550 | L477-A481 WeakPolarHBondContact O-CB 2.94Å; L477-A481 PolarHBondContact O-N 2.67Å; L478-A481 PolarHBondContact O-N 3.1Å; A481-S485 VanDerWaalsContact O-CB 3.27Å; A481-S485 WeakPolarHBondContact O-CB 3.3Å; A481-S485 PolarHBondContact O-N 3.24Å; A481-S485 PolarHBondContact O-OG 2.99Å; A481-L550 HydrophobicContact CB-CB 3.83Å |
| 482 | I | 89.3 | Confident | 88.4 | Confident | 120 Ų | 120 | 55.4 Ų | 55.4 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 176.6 | -67.8 | 165.6 | 0 | 0 | 0 | 110.7 | L478 I479 L480 S485 A486 | L478-I482 VanDerWaalsContact O-CG1 3.28Å; L478-I482 WeakPolarHBondContact O-CG1 3.5Å; L478-I482 PolarHBondContact O-N 3.21Å; I479-I482 PolarHBondContact O-N 3.43Å; L480-I482 VanDerWaalsContact C-N 3.35Å; L480-I482 PolarHBondContact O-N 3.03Å; I482-S485 WeakPolarHBondContact O-CB 3.26Å; I482-S485 PolarHBondContact O-N 3.11Å; I482-A486 PolarHBondContact O-N 3.32Å |
| 483 | M | 88.6 | Confident | 88.1 | Confident | 108 Ų | 108 | 51.3 Ų | 51.3 | 53% | 0.532 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | -179.9 | -174.9 | -179.3 | -178.5 | 0 | 0 | 112.1 | I479 L480 A486 K487 | I479-M483 WeakPolarHBondContact O-CB 3.46Å; I479-M483 PolarHBondContact O-N 3.12Å; L480-M483 PolarHBondContact O-N 2.93Å; M483-A486 PolarHBondContact O-N 3.04Å; M483-K487 PolarHBondContact O-N 3.16Å |
| 484 | V | 89.4 | Confident | 88 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | L480 A486 K487 Q488 V546 P547 L550 I710 I717 | L480-V484 WeakPolarHBondContact O-CG2 3.36Å; L480-V484 PolarHBondContact O-N 3.05Å; V484-A486 VanDerWaalsContact C-N 3.32Å; V484-A486 PolarHBondContact O-N 3.32Å; V484-K487 PolarHBondContact O-N 2.89Å; V484-Q488 WeakPolarHBondContact O-CB 3.09Å; V484-Q488 PolarHBondContact O-N 3.43Å; V484-V546 HydrophobicContact CG1-CB 4.32Å; V484-V546 HydrophobicContact CG1-CG1 4.19Å; V484-V546 HydrophobicContact CG2-CG1 4.33Å; V484-P547 HydrophobicContact CB-CG 4.06Å; V484-P547 HydrophobicContact CG1-CG 3.69Å; V484-L550 HydrophobicContact CG2-CD1 4.39Å; V484-I710 HydrophobicContact CG1-CD1 4.08Å; V484-I710 HydrophobicContact CG1-CG1 4.4Å; V484-I717 HydrophobicContact CG2-CD1 3.26Å |
| 485 | S | 85.5 | Confident | 87.9 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | A481 I482 K487 Q488 Y489 P547 | A481-S485 VanDerWaalsContact O-CB 3.27Å; A481-S485 WeakPolarHBondContact O-CB 3.3Å; A481-S485 PolarHBondContact O-N 3.24Å; A481-S485 PolarHBondContact O-OG 2.99Å; I482-S485 WeakPolarHBondContact O-CB 3.26Å; I482-S485 PolarHBondContact O-N 3.11Å; S485-K487 VanDerWaalsContact C-N 3.32Å; S485-K487 PolarHBondContact O-N 3.43Å; S485-Q488 PolarHBondContact O-N 3.09Å; S485-Y489 WeakPolarHBondContact O-CB 3.36Å; S485-Y489 VanDerWaalsContact O-CD2 3.23Å; S485-Y489 WeakPolarHBondContact O-CD2 3.27Å; S485-Y489 PolarHBondContact O-N 3.16Å; S485-P547 VanDerWaalsContact OG-CB 3.29Å; S485-P547 WeakPolarHBondContact OG-CB 3.44Å |
| 486 | A | 83 | Confident | 88 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I482 M483 V484 V490 | I482-A486 PolarHBondContact O-N 3.32Å; M483-A486 PolarHBondContact O-N 3.04Å; V484-A486 VanDerWaalsContact C-N 3.32Å; V484-A486 PolarHBondContact O-N 3.32Å; A486-V490 VanDerWaalsContact O-CB 3.23Å; A486-V490 WeakPolarHBondContact O-CB 3.1Å; A486-V490 PolarHBondContact O-N 3.15Å |
| 487 | K | 83.3 | Confident | 87.9 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 178 | -174.2 | 61.2 | -178.4 | 177 | 0 | 112.9 | M483 V484 S485 G491 F713 | M483-K487 PolarHBondContact O-N 3.16Å; V484-K487 PolarHBondContact O-N 2.89Å; S485-K487 VanDerWaalsContact C-N 3.32Å; S485-K487 PolarHBondContact O-N 3.43Å; K487-G491 CarbonylContact O-C 3.47Å; K487-G491 VanDerWaalsContact O-CA 3.23Å; K487-G491 WeakPolarHBondContact O-CA 3.38Å; K487-G491 PolarHBondContact O-N 3.32Å; K487-G491 VanDerWaalsContact O-N 3.12Å; K487-F713 HydrophobicContact CG-CE2 4.43Å |
| 488 | Q | 82.4 | Confident | 87.8 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.9 | -34.5 | -178.3 | -176.2 | 173.6 | -15.9 | 0 | 0 | 113.3 | V484 S485 F515 Q544 P547 I710 | V484-Q488 WeakPolarHBondContact O-CB 3.09Å; V484-Q488 PolarHBondContact O-N 3.43Å; S485-Q488 PolarHBondContact O-N 3.09Å; Q488-F515 HydrophobicContact CG-CZ 3.98Å; Q488-Q544 PolarHBondContact NE2-O 2.99Å; Q488-P547 VanDerWaalsContact OE1-CD 3.29Å; Q488-P547 VanDerWaalsContact OE1-CG 3.25Å; Q488-I710 HydrophobicContact CB-CD1 4.05Å; Q488-I710 HydrophobicContact CG-CD1 4.28Å |
| 489 | Y | 73.5 | Confident | 87.8 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -95.4 | -35.8 | -176.4 | -76.6 | -94.9 | 0 | 0 | 0 | 113.6 | F273 S485 | F273-Y489 HydrophobicContact CD1-CE1 4.06Å; F273-Y489 WeakPolarHBondContact CD1-OH 3.08Å; F273-Y489 HydrophobicContact CD2-CE1 4.47Å; F273-Y489 HydrophobicContact CE1-CD1 4.48Å; F273-Y489 AromaticContact CE1-CE1 3.39Å; F273-Y489 HydrophobicContact CE1-CE1 3.39Å; F273-Y489 HydrophobicContact CE1-CE2 4.35Å; F273-Y489 AromaticContact CE1-CZ 3.31Å; F273-Y489 WeakPolarHBondContact CE1-OH 3.46Å; F273-Y489 HydrophobicContact CE2-CD1 4.41Å; F273-Y489 AromaticContact CE2-CE1 3.83Å; F273-Y489 HydrophobicContact CE2-CE1 3.83Å; F273-Y489 AromaticContact CZ-CD1 3.96Å; F273-Y489 HydrophobicContact CZ-CD1 3.96Å; F273-Y489 AromaticContact CZ-CE1 3.23Å; F273-Y489 HydrophobicContact CZ-CE1 3.23Å; F273-Y489 AromaticContact CZ-CZ 3.61Å; S485-Y489 WeakPolarHBondContact O-CB 3.36Å; S485-Y489 VanDerWaalsContact O-CD2 3.23Å; S485-Y489 WeakPolarHBondContact O-CD2 3.27Å; S485-Y489 PolarHBondContact O-N 3.16Å |
| 490 | V | 72.4 | Confident | 87.5 | Confident | 133 Ų | 133 | 58.2 Ų | 58.2 | 81% | 0.806 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -99.9 | -32.5 | -177.3 | -174 | 0 | 0 | 0 | 0 | 111.8 | A486 | A486-V490 VanDerWaalsContact O-CB 3.23Å; A486-V490 WeakPolarHBondContact O-CB 3.1Å; A486-V490 PolarHBondContact O-N 3.15Å |
| 491 | G | 78.2 | Confident | 87.3 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -92.8 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K487 P493 | K487-G491 CarbonylContact O-C 3.47Å; K487-G491 VanDerWaalsContact O-CA 3.23Å; K487-G491 WeakPolarHBondContact O-CA 3.38Å; K487-G491 PolarHBondContact O-N 3.32Å; K487-G491 VanDerWaalsContact O-N 3.12Å; G491-P493 WeakPolarHBondContact O-CD 3.45Å |
| 492 | Q | 82.9 | Confident | 87.2 | Confident | 92 Ų | 92 | 63.8 Ų | 63.8 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | trans | -82.6 | 113.4 | 165.2 | -68.7 | 175 | -20 | 0 | 0 | 109 | M709 | Q492-M709 HydrophobicContact CB-CE 4.48Å; Q492-M709 VanDerWaalsContact O-CE 3.27Å; Q492-M709 WeakPolarHBondContact O-CE 3.36Å | ||
| 493 | P | 87.9 | Confident | 87 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 7% | 0.065 | 34% | 0.343 | C | S | . | . | trans | -80.5 | -23.2 | -178.6 | 30.9 | -34.6 | 0 | 0 | 0 | 113.3 | G491 F515 M709 I710 | G491-P493 WeakPolarHBondContact O-CD 3.45Å; P493-F515 HydrophobicContact CB-CD2 4.08Å; P493-F515 HydrophobicContact CB-CE2 3.7Å; P493-F515 HydrophobicContact CB-CZ 4.37Å; P493-F515 HydrophobicContact CG-CD2 3.62Å; P493-F515 HydrophobicContact CG-CE2 3.59Å; P493-F515 HydrophobicContact CG-CG 4.14Å; P493-F515 HydrophobicContact CG-CZ 4.09Å; P493-M709 PolarHBondContact O-N 2.99Å; P493-I710 HydrophobicContact CB-CB 4.45Å; P493-I710 PolarHBondContact O-N 3.06Å | ||
| 494 | I | 92.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | trans | -138.4 | 146.3 | -176.3 | -166.6 | 169.5 | 0 | 0 | 0 | 108.9 | E511 C514 F515 T519 C706 V707 L708 | I494-E511 HydrophobicContact CG2-CB 4.18Å; I494-E511 WeakPolarHBondContact CG2-O 3.42Å; I494-C514 HydrophobicContact CD1-CB 4.21Å; I494-F515 HydrophobicContact CG2-CB 3.89Å; I494-F515 HydrophobicContact CG2-CD2 4.28Å; I494-F515 HydrophobicContact CG2-CG 4.5Å; I494-T519 HydrophobicContact CD1-CG2 3.91Å; I494-C706 HydrophobicContact CD1-CB 3.68Å; I494-C706 HydrophobicContact CG1-CB 3.76Å; I494-V707 WeakPolarHBondContact CA-O 3.12Å; I494-L708 HydrophobicContact CB-CD1 4.31Å; I494-L708 HydrophobicContact CD1-CD1 4.23Å; I494-L708 HydrophobicContact CG1-CD1 4.25Å | ||
| 495 | Q | 93.4 | Very high | 86.8 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.2 | 169.4 | -79 | 178.1 | -17.3 | 0 | 0 | 109.6 | E511 C706 V707 M709 | Q495-E511 VanDerWaalsContact CA-OE1 3.24Å; Q495-E511 WeakPolarHBondContact CA-OE1 3.47Å; Q495-C706 CarbonylContact O-C 3.56Å; Q495-C706 WeakPolarHBondContact O-CA 3.4Å; Q495-V707 PolarHBondContact N-O 3.15Å; Q495-V707 PolarHBondContact O-N 3.41Å; Q495-M709 HydrophobicContact CB-CE 4.47Å; Q495-M709 HydrophobicContact CG-CE 3.8Å |
| 496 | C | 95.6 | Very high | 87.1 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.2 | -171.6 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | V498 E511 V704 Q705 C706 | C496-V498 HydrophobicContact CB-CG1 4.17Å; C496-V498 PolarHBondContact O-N 3.45Å; C496-E511 HydrophobicContact CB-CG 3.98Å; C496-E511 PolarHBondContact N-OE1 3.4Å; C496-E511 VanDerWaalsContact N-OE1 3.17Å; C496-V704 HydrophobicContact CB-CG2 4.39Å; C496-Q705 CarbonylContact C-O 3.51Å; C496-C706 HydrophobicContact CB-CB 4.06Å; C496-C706 WeakPolarHBondContact CB-SG 3.4Å; C496-C706 WeakPolarHBondContact SG-CB 3.12Å; C496-C706 CovalentContact SG-SG 2.04Å; C496-C706 PolarHBondContact SG-SG 3.33Å |
| 497 | W | 95.1 | Very high | 87.6 | Confident | 210 Ų | 210 | 64.2 Ų | 64.2 | 80% | 0.795 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 90.8 | 166.8 | -172.4 | -89.1 | 0 | 0 | 0 | 109.7 | Q705 | W497-Q705 HydrophobicContact CB-CB 4.45Å; W497-Q705 WeakPolarHBondContact CB-O 3.32Å; W497-Q705 PolarHBondContact N-O 2.92Å |
| 498 | V | 94.5 | Very high | 88 | Confident | 17 Ų | 17 | 63 Ų | 63 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | trans | -92.9 | 155.1 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | C496 A500 F502 E507 A510 V704 | C496-V498 HydrophobicContact CB-CG1 4.17Å; C496-V498 PolarHBondContact O-N 3.45Å; V498-A500 PolarHBondContact O-N 3.24Å; V498-F502 HydrophobicContact CB-CB 4.1Å; V498-F502 HydrophobicContact CB-CD2 4.05Å; V498-F502 HydrophobicContact CG2-CB 3.95Å; V498-E507 HydrophobicContact CG2-CB 4.18Å; V498-E507 HydrophobicContact CG2-CG 4.05Å; V498-A510 HydrophobicContact CG1-CB 3.86Å; V498-V704 HydrophobicContact CG1-CG1 4.3Å | ||
| 499 | P | 93.1 | Very high | 88.5 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | trans | -49.7 | 139.4 | 170.6 | -28.4 | 34.6 | 0 | 0 | 0 | 112.1 | Q501 F502 | P499-Q501 HydrophobicContact CB-CG 4.12Å; P499-Q501 PolarHBondContact O-N 2.92Å; P499-F502 HydrophobicContact CB-CD2 4.33Å; P499-F502 HydrophobicContact CB-CE2 4.42Å; P499-F502 HydrophobicContact CB-CG 4.43Å; P499-F502 HydrophobicContact CG-CD2 4.07Å; P499-F502 HydrophobicContact CG-CE2 3.88Å; P499-F502 HydrophobicContact CG-CZ 4.35Å; P499-F502 WeakPolarHBondContact O-CB 3.49Å; P499-F502 PolarHBondContact O-N 2.71Å | ||
| 500 | A | 89.3 | Confident | 89.6 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 70% | 0.702 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V498 F502 R503 | V498-A500 PolarHBondContact O-N 3.24Å; A500-F502 VanDerWaalsContact C-N 3.32Å; A500-R503 PolarHBondContact O-NE 2.97Å |
| 501 | Q | 89.7 | Confident | 90.6 | Very high | 137 Ų | 137 | 53.6 Ų | 53.6 | 64% | 0.64 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -21.1 | 173 | 73.9 | -155.4 | 4.7 | 0 | 0 | 112.6 | P499 | P499-Q501 HydrophobicContact CB-CG 4.12Å; P499-Q501 PolarHBondContact O-N 2.92Å |
| 502 | F | 90.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -89 | 115.3 | 176.3 | -57.4 | -6.7 | 0 | 0 | 0 | 108 | W53 V498 P499 A500 W506 F691 H702 | W53-F502 AromaticContact CH2-CD1 3.88Å; W53-F502 HydrophobicContact CH2-CD1 3.88Å; W53-F502 AromaticContact CH2-CD2 3.71Å; W53-F502 HydrophobicContact CH2-CD2 3.71Å; W53-F502 AromaticContact CH2-CE1 3.75Å; W53-F502 HydrophobicContact CH2-CE1 3.75Å; W53-F502 AromaticContact CH2-CE2 3.65Å; W53-F502 HydrophobicContact CH2-CE2 3.65Å; W53-F502 AromaticContact CH2-CG 3.85Å; W53-F502 HydrophobicContact CH2-CG 3.85Å; W53-F502 AromaticContact CH2-CZ 3.64Å; W53-F502 HydrophobicContact CH2-CZ 3.64Å; W53-F502 HydrophobicContact CZ2-CD1 4.28Å; W53-F502 AromaticContact CZ2-CE1 3.91Å; W53-F502 HydrophobicContact CZ2-CE1 3.91Å; W53-F502 HydrophobicContact CZ2-CE2 4.48Å; W53-F502 HydrophobicContact CZ2-CZ 4.04Å; W53-F502 HydrophobicContact CZ3-CD2 4.37Å; V498-F502 HydrophobicContact CB-CB 4.1Å; V498-F502 HydrophobicContact CB-CD2 4.05Å; V498-F502 HydrophobicContact CG2-CB 3.95Å; P499-F502 HydrophobicContact CB-CD2 4.33Å; P499-F502 HydrophobicContact CB-CE2 4.42Å; P499-F502 HydrophobicContact CB-CG 4.43Å; P499-F502 HydrophobicContact CG-CD2 4.07Å; P499-F502 HydrophobicContact CG-CE2 3.88Å; P499-F502 HydrophobicContact CG-CZ 4.35Å; P499-F502 WeakPolarHBondContact O-CB 3.49Å; P499-F502 PolarHBondContact O-N 2.71Å; A500-F502 VanDerWaalsContact C-N 3.32Å; F502-W506 HydrophobicContact CB-CB 3.92Å; F502-W506 HydrophobicContact CB-CE3 4.1Å; F502-W506 HydrophobicContact CD1-CD2 4.39Å; F502-W506 AromaticContact CD1-CE3 3.21Å; F502-W506 HydrophobicContact CD1-CE3 3.21Å; F502-W506 AromaticContact CD1-CZ3 3.53Å; F502-W506 HydrophobicContact CD1-CZ3 3.53Å; F502-W506 AromaticContact CE1-CE3 3.8Å; F502-W506 HydrophobicContact CE1-CE3 3.8Å; F502-W506 AromaticContact CE1-CZ3 3.76Å; F502-W506 HydrophobicContact CE1-CZ3 3.76Å; F502-W506 HydrophobicContact CG-CB 4.45Å; F502-W506 AromaticContact CG-CE3 3.86Å; F502-W506 HydrophobicContact CG-CE3 3.86Å; F502-F691 HydrophobicContact CD2-CZ 4.43Å; F502-F691 HydrophobicContact CE2-CZ 4.01Å; F502-H702 AromaticContact CZ-CE1 3.93Å; F502-H702 AromaticContact CZ-NE2 3.84Å | ||
| 503 | R | 85.8 | Confident | 91.8 | Very high | 178 Ų | 178 | 49.4 Ų | 49.4 | 67% | 0.672 | 24% | 0.244 | S | C | * | . | trans | -136.4 | 149.9 | -176.9 | -61.9 | -174 | -179.7 | -171.2 | -2 | 109.9 | A500 G505 W506 | A500-R503 PolarHBondContact O-NE 2.97Å; R503-G505 PolarHBondContact O-N 3.46Å; R503-W506 PolarHBondContact O-N 3.17Å | ||
| 504 | G | 86.5 | Confident | 92.1 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -123.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W506 E507 E508 | G504-W506 PolarHBondContact O-N 3.48Å; G504-E507 WeakPolarHBondContact O-CA 3.15Å; G504-E507 VanDerWaalsContact O-CB 3.29Å; G504-E507 WeakPolarHBondContact O-CB 3.22Å; G504-E507 PolarHBondContact O-N 3.05Å; G504-E508 PolarHBondContact O-N 3.2Å; G504-E508 VanDerWaalsContact O-N 3.14Å |
| 505 | G | 88 | Confident | 92.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.6 | -26.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E63 R503 Y509 | E63-G505 VanDerWaalsContact CD-N 3.33Å; E63-G505 WeakPolarHBondContact OE1-CA 3.33Å; E63-G505 PolarHBondContact OE1-N 3.16Å; E63-G505 PolarHBondContact OE2-N 2.96Å; R503-G505 PolarHBondContact O-N 3.46Å; G505-Y509 WeakPolarHBondContact O-CB 3.47Å; G505-Y509 PolarHBondContact O-N 3.46Å |
| 506 | W | 92.2 | Very high | 91.9 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 15% | 0.148 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.9 | -34 | 174.9 | -73.1 | 10.1 | 0 | 0 | 0 | 112.9 | W53 V54 A56 F502 R503 G504 A510 | W53-W506 AromaticContact CD2-CD1 3.87Å; W53-W506 HydrophobicContact CD2-CD2 4.19Å; W53-W506 HydrophobicContact CD2-CG 4.05Å; W53-W506 AromaticContact CD2-NE1 3.9Å; W53-W506 AromaticContact CE2-CD2 3.69Å; W53-W506 AromaticContact CE2-CE2 3.56Å; W53-W506 AromaticContact CE2-CZ2 3.9Å; W53-W506 AromaticContact CE2-NE1 3.83Å; W53-W506 HydrophobicContact CE3-CB 4.04Å; W53-W506 AromaticContact CE3-CD1 3.93Å; W53-W506 HydrophobicContact CE3-CD2 4.35Å; W53-W506 AromaticContact CE3-CG 3.86Å; W53-W506 HydrophobicContact CE3-CG 3.86Å; W53-W506 HydrophobicContact CH2-CB 3.88Å; W53-W506 AromaticContact CH2-CD2 3.66Å; W53-W506 HydrophobicContact CH2-CD2 3.66Å; W53-W506 AromaticContact CH2-CE3 3.64Å; W53-W506 HydrophobicContact CH2-CE3 3.64Å; W53-W506 AromaticContact CH2-CG 3.79Å; W53-W506 HydrophobicContact CH2-CG 3.79Å; W53-W506 HydrophobicContact CH2-CZ3 4.36Å; W53-W506 AromaticContact CZ2-CD2 3.42Å; W53-W506 HydrophobicContact CZ2-CD2 3.42Å; W53-W506 VanDerWaalsContact CZ2-CD2 3.42Å; W53-W506 AromaticContact CZ2-CE2 3.74Å; W53-W506 AromaticContact CZ2-CE3 3.41Å; W53-W506 HydrophobicContact CZ2-CE3 3.41Å; W53-W506 VanDerWaalsContact CZ2-CE3 3.41Å; W53-W506 AromaticContact CZ2-CG 3.94Å; W53-W506 HydrophobicContact CZ2-CG 3.94Å; W53-W506 HydrophobicContact CZ2-CH2 4.04Å; W53-W506 HydrophobicContact CZ2-CZ2 4.04Å; W53-W506 AromaticContact CZ2-CZ3 3.75Å; W53-W506 HydrophobicContact CZ2-CZ3 3.75Å; W53-W506 HydrophobicContact CZ3-CB 3.61Å; W53-W506 HydrophobicContact CZ3-CD2 4.12Å; W53-W506 HydrophobicContact CZ3-CE3 4.49Å; W53-W506 AromaticContact CZ3-CG 3.74Å; W53-W506 HydrophobicContact CZ3-CG 3.74Å; W53-W506 AromaticContact NE1-CE2 3.65Å; W53-W506 AromaticContact NE1-CZ2 3.64Å; W53-W506 AromaticContact NE1-NE1 3.89Å; V54-W506 VanDerWaalsContact O-CE2 3.22Å; V54-W506 WeakPolarHBondContact O-CZ2 3.35Å; V54-W506 PolarHBondContact O-NE1 3.01Å; A56-W506 HydrophobicContact CB-CH2 3.62Å; A56-W506 HydrophobicContact CB-CZ2 3.76Å; A56-W506 HydrophobicContact CB-CZ3 4.3Å; F502-W506 HydrophobicContact CB-CB 3.92Å; F502-W506 HydrophobicContact CB-CE3 4.1Å; F502-W506 HydrophobicContact CD1-CD2 4.39Å; F502-W506 AromaticContact CD1-CE3 3.21Å; F502-W506 HydrophobicContact CD1-CE3 3.21Å; F502-W506 AromaticContact CD1-CZ3 3.53Å; F502-W506 HydrophobicContact CD1-CZ3 3.53Å; F502-W506 AromaticContact CE1-CE3 3.8Å; F502-W506 HydrophobicContact CE1-CE3 3.8Å; F502-W506 AromaticContact CE1-CZ3 3.76Å; F502-W506 HydrophobicContact CE1-CZ3 3.76Å; F502-W506 HydrophobicContact CG-CB 4.45Å; F502-W506 AromaticContact CG-CE3 3.86Å; F502-W506 HydrophobicContact CG-CE3 3.86Å; R503-W506 PolarHBondContact O-N 3.17Å; G504-W506 PolarHBondContact O-N 3.48Å; W506-A510 WeakPolarHBondContact O-CB 3.35Å; W506-A510 PolarHBondContact O-N 3.41Å; W506-A510 VanDerWaalsContact O-N 3.09Å |
| 507 | E | 93 | Very high | 91.4 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.1 | -51 | 173.4 | -176.1 | 178.7 | 178.7 | 0 | 0 | 109.5 | V498 G504 Y509 A510 E511 | V498-E507 HydrophobicContact CG2-CB 4.18Å; V498-E507 HydrophobicContact CG2-CG 4.05Å; G504-E507 WeakPolarHBondContact O-CA 3.15Å; G504-E507 VanDerWaalsContact O-CB 3.29Å; G504-E507 WeakPolarHBondContact O-CB 3.22Å; G504-E507 PolarHBondContact O-N 3.05Å; E507-Y509 VanDerWaalsContact C-N 3.29Å; E507-Y509 PolarHBondContact O-N 3.13Å; E507-A510 PolarHBondContact O-N 3.32Å; E507-A510 VanDerWaalsContact O-N 3.12Å; E507-E511 WeakPolarHBondContact O-CB 3.31Å; E507-E511 WeakPolarHBondContact O-CG 3.49Å; E507-E511 PolarHBondContact O-N 3.49Å |
| 508 | E | 91.5 | Very high | 91.3 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -37.7 | 177.2 | -63.4 | -170 | -174.4 | 0 | 0 | 112.2 | Q48 Q51 G504 N512 | Q48-E508 PolarHBondContact NE2-OE2 2.96Å; Q48-E508 PolarHBondContact OE1-OE2 2.86Å; Q51-E508 HydrophobicContact CG-CB 4.41Å; G504-E508 PolarHBondContact O-N 3.2Å; G504-E508 VanDerWaalsContact O-N 3.14Å; E508-N512 WeakPolarHBondContact O-CB 3.21Å; E508-N512 VanDerWaalsContact O-CG 3.31Å; E508-N512 PolarHBondContact O-N 2.94Å; E508-N512 PolarHBondContact O-ND2 3.38Å |
| 509 | Y | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -51.9 | 173.4 | 177.5 | -86.2 | 0 | 0 | 0 | 111.5 | W53 Q265 V267 G505 E507 E511 N512 Y513 F691 V693 | W53-Y509 HydrophobicContact CB-CD1 4.42Å; W53-Y509 HydrophobicContact CB-CD2 4.04Å; W53-Y509 HydrophobicContact CB-CE2 4.13Å; W53-Y509 HydrophobicContact CB-CG 4.21Å; W53-Y509 HydrophobicContact CD2-CD1 4.4Å; W53-Y509 AromaticContact CE3-CD1 3.44Å; W53-Y509 HydrophobicContact CE3-CD1 3.44Å; W53-Y509 VanDerWaalsContact CE3-CD1 3.44Å; W53-Y509 HydrophobicContact CE3-CE1 4.12Å; W53-Y509 AromaticContact CE3-CG 3.87Å; W53-Y509 HydrophobicContact CE3-CG 3.87Å; W53-Y509 HydrophobicContact CZ3-CD1 4.09Å; Q265-Y509 HydrophobicContact CG-CE2 4.44Å; Q265-Y509 WeakPolarHBondContact CG-OH 3.32Å; Q265-Y509 PolarHBondContact NE2-OH 3.04Å; Q265-Y509 VanDerWaalsContact O-CE2 3.27Å; Q265-Y509 WeakPolarHBondContact O-CE2 3.18Å; V267-Y509 HydrophobicContact CB-CE2 4.27Å; V267-Y509 HydrophobicContact CG2-CD2 3.93Å; V267-Y509 HydrophobicContact CG2-CE1 4.43Å; V267-Y509 HydrophobicContact CG2-CE2 3.42Å; V267-Y509 VanDerWaalsContact CG2-CE2 3.42Å; G505-Y509 WeakPolarHBondContact O-CB 3.47Å; G505-Y509 PolarHBondContact O-N 3.46Å; E507-Y509 VanDerWaalsContact C-N 3.29Å; E507-Y509 PolarHBondContact O-N 3.13Å; Y509-E511 VanDerWaalsContact C-N 3.35Å; Y509-E511 PolarHBondContact O-N 3.41Å; Y509-N512 PolarHBondContact O-N 3.02Å; Y509-Y513 HydrophobicContact CE1-CD2 4.12Å; Y509-Y513 VanDerWaalsContact O-CB 3.26Å; Y509-Y513 WeakPolarHBondContact O-CB 3.41Å; Y509-Y513 PolarHBondContact O-N 3.48Å; Y509-Y513 WeakPolarHBondContact OH-CD2 3.49Å; Y509-F691 HydrophobicContact CE1-CD2 4.4Å; Y509-V693 HydrophobicContact CE1-CG2 4.47Å |
| 510 | A | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V498 W506 E507 Y513 C514 F691 | V498-A510 HydrophobicContact CG1-CB 3.86Å; W506-A510 WeakPolarHBondContact O-CB 3.35Å; W506-A510 PolarHBondContact O-N 3.41Å; W506-A510 VanDerWaalsContact O-N 3.09Å; E507-A510 PolarHBondContact O-N 3.32Å; E507-A510 VanDerWaalsContact O-N 3.12Å; A510-Y513 PolarHBondContact O-N 2.87Å; A510-C514 VanDerWaalsContact O-CB 3.23Å; A510-C514 WeakPolarHBondContact O-CB 3.19Å; A510-C514 PolarHBondContact O-N 3.28Å; A510-C514 PolarHBondContact O-SG 3.25Å; A510-F691 HydrophobicContact CB-CD1 4.35Å; A510-F691 HydrophobicContact CB-CE1 3.87Å; A510-F691 HydrophobicContact CB-CE2 4.25Å; A510-F691 HydrophobicContact CB-CZ 3.82Å |
| 511 | E | 94.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 176.7 | -73.1 | 178.2 | 170.2 | 0 | 0 | 112.4 | I494 Q495 C496 E507 Y509 C514 F515 | I494-E511 HydrophobicContact CG2-CB 4.18Å; I494-E511 WeakPolarHBondContact CG2-O 3.42Å; Q495-E511 VanDerWaalsContact CA-OE1 3.24Å; Q495-E511 WeakPolarHBondContact CA-OE1 3.47Å; C496-E511 HydrophobicContact CB-CG 3.98Å; C496-E511 PolarHBondContact N-OE1 3.4Å; C496-E511 VanDerWaalsContact N-OE1 3.17Å; E507-E511 WeakPolarHBondContact O-CB 3.31Å; E507-E511 WeakPolarHBondContact O-CG 3.49Å; E507-E511 PolarHBondContact O-N 3.49Å; Y509-E511 VanDerWaalsContact C-N 3.35Å; Y509-E511 PolarHBondContact O-N 3.41Å; E511-C514 PolarHBondContact O-N 3.05Å; E511-F515 WeakPolarHBondContact O-CB 3.43Å; E511-F515 PolarHBondContact O-N 3.33Å |
| 512 | N | 92.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 26 Ų | 26 | 11% | 0.107 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | 179.9 | -72 | -45 | 0 | 0 | 0 | 112.3 | Q51 V267 M269 E508 Y509 F515 I516 | Q51-N512 WeakPolarHBondContact CG-ND2 3.34Å; Q51-N512 PolarHBondContact NE2-ND2 3Å; Q51-N512 VanDerWaalsContact NE2-ND2 3.14Å; Q51-N512 PolarHBondContact OE1-ND2 2.84Å; V267-N512 HydrophobicContact CG1-CB 3.99Å; M269-N512 HydrophobicContact CE-CB 4.37Å; M269-N512 VanDerWaalsContact CE-OD1 3.26Å; M269-N512 WeakPolarHBondContact CE-OD1 3.27Å; M269-N512 HydrophobicContact CG-CB 4.31Å; M269-N512 HydrophobicContact SD-CB 4.24Å; M269-N512 PolarHBondContact SD-OD1 3.31Å; E508-N512 WeakPolarHBondContact O-CB 3.21Å; E508-N512 VanDerWaalsContact O-CG 3.31Å; E508-N512 PolarHBondContact O-N 2.94Å; E508-N512 PolarHBondContact O-ND2 3.38Å; Y509-N512 PolarHBondContact O-N 3.02Å; N512-F515 PolarHBondContact O-N 3.18Å; N512-I516 WeakPolarHBondContact O-CB 3.44Å; N512-I516 WeakPolarHBondContact O-CD1 3.47Å; N512-I516 VanDerWaalsContact O-CG1 3.28Å; N512-I516 WeakPolarHBondContact O-CG1 3.49Å; N512-I516 PolarHBondContact O-N 3.47Å; N512-I516 VanDerWaalsContact O-N 3.09Å |
| 513 | Y | 93.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.8 | -51.9 | 172.3 | -171.6 | -73.7 | 0 | 0 | 0 | 110.3 | F80 V246 V267 Y509 A510 F515 I516 Q517 F691 | F80-Y513 HydrophobicContact CZ-CE2 4.42Å; V246-Y513 HydrophobicContact CG2-CD2 3.91Å; V246-Y513 HydrophobicContact CG2-CE2 3.69Å; V267-Y513 HydrophobicContact CG2-CD2 3.97Å; V267-Y513 HydrophobicContact CG2-CG 4.42Å; Y509-Y513 HydrophobicContact CE1-CD2 4.12Å; Y509-Y513 VanDerWaalsContact O-CB 3.26Å; Y509-Y513 WeakPolarHBondContact O-CB 3.41Å; Y509-Y513 PolarHBondContact O-N 3.48Å; Y509-Y513 WeakPolarHBondContact OH-CD2 3.49Å; A510-Y513 PolarHBondContact O-N 2.87Å; Y513-F515 VanDerWaalsContact C-N 3.33Å; Y513-F515 PolarHBondContact O-N 3.5Å; Y513-I516 PolarHBondContact O-N 2.58Å; Y513-I516 VanDerWaalsContact O-N 3.16Å; Y513-Q517 HydrophobicContact CD1-CB 4.22Å; Y513-Q517 HydrophobicContact CD1-CG 3.93Å; Y513-Q517 HydrophobicContact CE1-CB 4.04Å; Y513-Q517 HydrophobicContact CE1-CG 3.55Å; Y513-Q517 WeakPolarHBondContact O-CB 3.43Å; Y513-Q517 PolarHBondContact O-N 3.5Å; Y513-F691 HydrophobicContact CD1-CB 3.2Å; Y513-F691 HydrophobicContact CD1-CG 4.47Å; Y513-F691 HydrophobicContact CD2-CB 4.39Å; Y513-F691 VanDerWaalsContact CE1-CA 3.41Å; Y513-F691 HydrophobicContact CE1-CB 3.36Å; Y513-F691 HydrophobicContact CE2-CB 4.5Å; Y513-F691 HydrophobicContact CG-CB 3.77Å |
| 514 | C | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -36.6 | -179.3 | -71.7 | 0 | 0 | 0 | 0 | 112.8 | I494 A510 E511 I516 T519 C689 | I494-C514 HydrophobicContact CD1-CB 4.21Å; A510-C514 VanDerWaalsContact O-CB 3.23Å; A510-C514 WeakPolarHBondContact O-CB 3.19Å; A510-C514 PolarHBondContact O-N 3.28Å; A510-C514 PolarHBondContact O-SG 3.25Å; E511-C514 PolarHBondContact O-N 3.05Å; C514-I516 VanDerWaalsContact C-N 3.33Å; C514-I516 PolarHBondContact O-N 3.12Å; C514-T519 HydrophobicContact CB-CG2 4.48Å; C514-C689 WeakPolarHBondContact CA-SG 3.37Å; C514-C689 HydrophobicContact CB-CB 3.63Å; C514-C689 WeakPolarHBondContact CB-SG 3.3Å; C514-C689 WeakPolarHBondContact SG-CB 3.34Å; C514-C689 CovalentContact SG-SG 2.02Å; C514-C689 PolarHBondContact SG-SG 3.42Å |
| 515 | F | 92.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.022 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 173.4 | -173.6 | -106.6 | 0 | 0 | 0 | 111 | M269 Q488 P493 I494 E511 N512 Y513 Y543 Q544 | M269-F515 HydrophobicContact CE-CD1 4.1Å; Q488-F515 HydrophobicContact CG-CZ 3.98Å; P493-F515 HydrophobicContact CB-CD2 4.08Å; P493-F515 HydrophobicContact CB-CE2 3.7Å; P493-F515 HydrophobicContact CB-CZ 4.37Å; P493-F515 HydrophobicContact CG-CD2 3.62Å; P493-F515 HydrophobicContact CG-CE2 3.59Å; P493-F515 HydrophobicContact CG-CG 4.14Å; P493-F515 HydrophobicContact CG-CZ 4.09Å; I494-F515 HydrophobicContact CG2-CB 3.89Å; I494-F515 HydrophobicContact CG2-CD2 4.28Å; I494-F515 HydrophobicContact CG2-CG 4.5Å; E511-F515 WeakPolarHBondContact O-CB 3.43Å; E511-F515 PolarHBondContact O-N 3.33Å; N512-F515 PolarHBondContact O-N 3.18Å; Y513-F515 VanDerWaalsContact C-N 3.33Å; Y513-F515 PolarHBondContact O-N 3.5Å; F515-Y543 HydrophobicContact CD2-CD2 4.39Å; F515-Y543 AromaticContact CD2-CE2 3.83Å; F515-Y543 HydrophobicContact CD2-CE2 3.83Å; F515-Y543 AromaticContact CE2-CD2 3.85Å; F515-Y543 HydrophobicContact CE2-CD2 3.85Å; F515-Y543 AromaticContact CE2-CE2 3.73Å; F515-Y543 HydrophobicContact CE2-CE2 3.73Å; F515-Q544 HydrophobicContact CZ-CG 4.28Å; F515-Q544 PolarHBondContact O-NE2 3.39Å |
| 516 | I | 89.4 | Confident | 91.6 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79.5 | -34.1 | -172 | -71.3 | 166.1 | 0 | 0 | 0 | 113.7 | R245 V267 M269 M272 N512 Y513 C514 N518 Q544 | R245-I516 HydrophobicContact CB-CG2 3.84Å; R245-I516 HydrophobicContact CG-CG2 4.14Å; R245-I516 PolarHBondContact NH1-O 3.09Å; V267-I516 HydrophobicContact CG1-CD1 3.39Å; M269-I516 HydrophobicContact CB-CD1 4.24Å; M269-I516 HydrophobicContact CE-CD1 4.47Å; M269-I516 HydrophobicContact CG-CD1 3.96Å; M272-I516 HydrophobicContact SD-CG1 4.04Å; M272-I516 HydrophobicContact SD-CG2 4.47Å; N512-I516 WeakPolarHBondContact O-CB 3.44Å; N512-I516 WeakPolarHBondContact O-CD1 3.47Å; N512-I516 VanDerWaalsContact O-CG1 3.28Å; N512-I516 WeakPolarHBondContact O-CG1 3.49Å; N512-I516 PolarHBondContact O-N 3.47Å; N512-I516 VanDerWaalsContact O-N 3.09Å; Y513-I516 PolarHBondContact O-N 2.58Å; Y513-I516 VanDerWaalsContact O-N 3.16Å; C514-I516 VanDerWaalsContact C-N 3.33Å; C514-I516 PolarHBondContact O-N 3.12Å; I516-N518 VanDerWaalsContact C-N 3.32Å; I516-Q544 PolarHBondContact O-NE2 3.2Å |
| 517 | Q | 86.9 | Confident | 91.5 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -86.2 | 0.4 | -175.2 | -80.9 | -73 | 2.9 | 0 | 0 | 115.1 | Y513 K539 | Y513-Q517 HydrophobicContact CD1-CB 4.22Å; Y513-Q517 HydrophobicContact CD1-CG 3.93Å; Y513-Q517 HydrophobicContact CE1-CB 4.04Å; Y513-Q517 HydrophobicContact CE1-CG 3.55Å; Y513-Q517 WeakPolarHBondContact O-CB 3.43Å; Y513-Q517 PolarHBondContact O-N 3.5Å; Q517-K539 PolarHBondContact O-NZ 3.37Å |
| 518 | N | 91.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | trans | 67.2 | 151.9 | -168.5 | -53.3 | -43.7 | 0 | 0 | 0 | 113 | I516 K539 I540 G541 Y543 Q544 | I516-N518 VanDerWaalsContact C-N 3.32Å; N518-K539 HydrophobicContact CB-CB 4.2Å; N518-K539 HydrophobicContact CB-CD 4.32Å; N518-I540 WeakPolarHBondContact CB-O 3.33Å; N518-G541 VanDerWaalsContact OD1-CA 3.25Å; N518-G541 WeakPolarHBondContact OD1-CA 3.43Å; N518-Y543 WeakPolarHBondContact CA-OH 3.43Å; N518-Q544 PolarHBondContact OD1-NE2 3.03Å; N518-Q544 PolarHBondContact OD1-OE1 3.41Å | ||
| 519 | T | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 166.9 | 175.3 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | I494 C514 K539 I540 Y543 T687 L688 C689 | I494-T519 HydrophobicContact CD1-CG2 3.91Å; C514-T519 HydrophobicContact CB-CG2 4.48Å; T519-K539 CarbonylContact O-C 3.43Å; T519-K539 WeakPolarHBondContact O-CA 3.36Å; T519-I540 PolarHBondContact O-N 3.02Å; T519-Y543 PolarHBondContact N-OH 2.95Å; T519-T687 VanDerWaalsContact CB-OG1 3.29Å; T519-T687 WeakPolarHBondContact CB-OG1 3.36Å; T519-T687 VanDerWaalsContact OG1-CB 3.29Å; T519-T687 WeakPolarHBondContact OG1-CB 3.43Å; T519-T687 PolarHBondContact OG1-OG1 3.31Å; T519-L688 CarbonylContact C-O 3.56Å; T519-L688 WeakPolarHBondContact CA-O 3.25Å; T519-L688 WeakPolarHBondContact CB-O 3.45Å; T519-C689 HydrophobicContact CG2-CB 4.08Å |
| 520 | Y | 94 | Very high | 91 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.5 | 177.4 | 59.6 | -84.9 | 0 | 0 | 0 | 110.6 | V522 I528 R535 Q538 T687 L688 D690 | Y520-V522 HydrophobicContact CD2-CG2 3.79Å; Y520-V522 HydrophobicContact CE2-CG2 3.89Å; Y520-I528 HydrophobicContact CE2-CG2 4.4Å; Y520-R535 HydrophobicContact CE1-CB 4.45Å; Y520-R535 HydrophobicContact CE2-CG 4.24Å; Y520-Q538 WeakPolarHBondContact CA-O 3.35Å; Y520-Q538 WeakPolarHBondContact CB-O 3.44Å; Y520-T687 CarbonylContact O-C 3.6Å; Y520-T687 WeakPolarHBondContact O-CA 3.4Å; Y520-T687 WeakPolarHBondContact O-CB 3.24Å; Y520-L688 HydrophobicContact CD1-CB 4.42Å; Y520-L688 VanDerWaalsContact CD1-O 3.28Å; Y520-L688 WeakPolarHBondContact CD1-O 3.35Å; Y520-L688 HydrophobicContact CD2-CB 4Å; Y520-L688 HydrophobicContact CD2-CD1 4.46Å; Y520-L688 HydrophobicContact CE1-CB 3.97Å; Y520-L688 HydrophobicContact CE2-CB 3.49Å; Y520-L688 VanDerWaalsContact CE2-CB 3.49Å; Y520-L688 HydrophobicContact CE2-CD1 3.73Å; Y520-L688 HydrophobicContact CE2-CG 4.26Å; Y520-L688 HydrophobicContact CG-CB 4.43Å; Y520-L688 VanDerWaalsContact CZ-CB 3.47Å; Y520-L688 PolarHBondContact N-O 2.96Å; Y520-L688 PolarHBondContact O-N 3.47Å; Y520-D690 PolarHBondContact OH-OD1 2.94Å; Y520-D690 PolarHBondContact OH-OD2 3.09Å |
| 521 | F | 92 | Very high | 90.7 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | trans | -105.6 | 133 | -179.6 | 174.6 | -114.2 | 0 | 0 | 0 | 111.1 | P523 I540 W677 S678 P684 V686 | F521-P523 HydrophobicContact CE1-CG 3.99Å; F521-P523 HydrophobicContact CZ-CG 4.22Å; F521-I540 HydrophobicContact CB-CD1 3.84Å; F521-W677 HydrophobicContact CD2-CZ3 4.32Å; F521-W677 HydrophobicContact CE2-CE3 4.26Å; F521-W677 AromaticContact CE2-CZ3 3.68Å; F521-W677 HydrophobicContact CE2-CZ3 3.68Å; F521-W677 HydrophobicContact CZ-CZ3 4.36Å; F521-S678 WeakPolarHBondContact CZ-O 3.17Å; F521-P684 HydrophobicContact CB-CB 3.93Å; F521-P684 HydrophobicContact CB-CG 3.86Å; F521-P684 HydrophobicContact CD1-CB 4.32Å; F521-P684 HydrophobicContact CD2-CB 3.53Å; F521-P684 HydrophobicContact CD2-CG 4.41Å; F521-P684 HydrophobicContact CE2-CB 4.16Å; F521-P684 HydrophobicContact CG-CB 3.64Å; F521-P684 HydrophobicContact CG-CG 4.06Å; F521-V686 WeakPolarHBondContact CD2-O 3.48Å | ||
| 522 | V | 91.1 | Very high | 90.3 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 11% | 0.109 | 28% | 0.277 | C | S | . | . | trans | -132.4 | 123.6 | 173.9 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | Y520 T526 L688 | Y520-V522 HydrophobicContact CD2-CG2 3.79Å; Y520-V522 HydrophobicContact CE2-CG2 3.89Å; V522-T526 WeakPolarHBondContact CG1-OG1 3.49Å; V522-L688 HydrophobicContact CB-CD1 3.88Å; V522-L688 HydrophobicContact CG2-CD1 3.79Å | ||
| 523 | P | 89.7 | Confident | 90 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | trans | -56.8 | 144.7 | 173.7 | -27.5 | 36.5 | 0 | 0 | 0 | 112.6 | F521 D525 T526 | F521-P523 HydrophobicContact CE1-CG 3.99Å; F521-P523 HydrophobicContact CZ-CG 4.22Å; P523-D525 WeakPolarHBondContact CB-OD1 3.42Å; P523-D525 PolarHBondContact O-N 3.11Å; P523-T526 HydrophobicContact CB-CG2 4.3Å; P523-T526 WeakPolarHBondContact CD-OG1 3.47Å; P523-T526 PolarHBondContact O-N 3.21Å; P523-T526 PolarHBondContact O-OG1 3.09Å | ||
| 524 | F | 88.5 | Confident | 89.7 | Confident | 136 Ų | 136 | 59 Ų | 59 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.8 | -174.3 | -72 | -73.7 | 0 | 0 | 0 | 114.4 | T526 W677 V686 | F524-T526 VanDerWaalsContact C-N 3.29Å; F524-W677 HydrophobicContact CE2-CH2 4.21Å; F524-V686 HydrophobicContact CZ-CB 4.34Å; F524-V686 HydrophobicContact CZ-CG1 4.24Å |
| 525 | D | 87.4 | Confident | 89.4 | Confident | 143 Ų | 143 | 61.2 Ų | 61.2 | 77% | 0.765 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.6 | 175.8 | 62.8 | -43.6 | 0 | 0 | 0 | 112.9 | P523 | P523-D525 WeakPolarHBondContact CB-OD1 3.42Å; P523-D525 PolarHBondContact O-N 3.11Å |
| 526 | T | 88.2 | Confident | 89 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -107.5 | 142 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | V522 P523 F524 | V522-T526 WeakPolarHBondContact CG1-OG1 3.49Å; P523-T526 HydrophobicContact CB-CG2 4.3Å; P523-T526 WeakPolarHBondContact CD-OG1 3.47Å; P523-T526 PolarHBondContact O-N 3.21Å; P523-T526 PolarHBondContact O-OG1 3.09Å; F524-T526 VanDerWaalsContact C-N 3.29Å |
| 527 | S | 89.4 | Confident | 88.8 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 142.8 | 175 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 528 | I | 90 | Very high | 88.7 | Confident | 71 Ų | 71 | 76 Ų | 76 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -55 | 124.7 | 174.6 | -53.1 | 177.4 | 0 | 0 | 0 | 109.6 | Y520 S530 L688 T703 | Y520-I528 HydrophobicContact CE2-CG2 4.4Å; I528-S530 PolarHBondContact O-N 2.94Å; I528-L688 HydrophobicContact CD1-CD1 3.89Å; I528-L688 HydrophobicContact CD1-CD2 4.4Å; I528-L688 HydrophobicContact CG1-CD1 3.78Å; I528-L688 HydrophobicContact CG2-CD1 4.23Å; I528-T703 HydrophobicContact CD1-CG2 4.32Å |
| 529 | P | 90 | Very high | 88.7 | Confident | 25 Ų | 25 | 77.6 Ų | 77.6 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -56 | 131.1 | 179.6 | -25.1 | 33.2 | 0 | 0 | 0 | 111.5 | D531 K534 R535 | P529-D531 VanDerWaalsContact C-N 3.34Å; P529-K534 HydrophobicContact CB-CB 4.12Å; P529-R535 HydrophobicContact CB-CG 4.39Å; P529-R535 VanDerWaalsContact O-CZ 3.26Å; P529-R535 PolarHBondContact O-NE 3.48Å; P529-R535 PolarHBondContact O-NH2 3.29Å |
| 530 | S | 88.5 | Confident | 88.5 | Confident | 116 Ų | 116 | 79.1 Ų | 79.1 | 81% | 0.811 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -75.7 | -25.3 | 177.5 | -45.6 | 0 | 0 | 0 | 0 | 113 | I528 P532 | I528-S530 PolarHBondContact O-N 2.94Å; S530-P532 WeakPolarHBondContact O-CD 3.34Å |
| 531 | D | 89.3 | Confident | 88.3 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 35% | 0.348 | 43% | 0.428 | S | S | . | . | trans | -77.9 | 119.7 | -178.6 | 177.5 | 9.3 | 0 | 0 | 0 | 111.2 | P529 M533 K534 R535 | P529-D531 VanDerWaalsContact C-N 3.34Å; D531-M533 PolarHBondContact O-N 3.28Å; D531-M533 WeakPolarHBondContact OD1-CB 3.12Å; D531-M533 PolarHBondContact OD1-N 3.28Å; D531-K534 HydrophobicContact CB-CB 4.29Å; D531-K534 HydrophobicContact CB-CD 4.14Å; D531-K534 HydrophobicContact CB-CG 4.12Å; D531-K534 PolarHBondContact O-N 3.22Å; D531-R535 PolarHBondContact O-N 3.02Å | ||
| 532 | P | 84.5 | Confident | 88.2 | Confident | 97 Ų | 97 | 79.9 Ų | 79.9 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.5 | -29 | 177.7 | 25.6 | -35 | 0 | 0 | 0 | 113.3 | S530 R535 K536 | S530-P532 WeakPolarHBondContact O-CD 3.34Å; P532-R535 PolarHBondContact O-N 3.25Å; P532-K536 WeakPolarHBondContact O-CB 3.3Å; P532-K536 PolarHBondContact O-N 2.92Å |
| 533 | M | 86.3 | Confident | 88.2 | Confident | 134 Ų | 134 | 79 Ų | 79 | 66% | 0.66 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 177.3 | -77.3 | -115.8 | -76.7 | 0 | 0 | 111.7 | D531 R535 K536 I537 | D531-M533 PolarHBondContact O-N 3.28Å; D531-M533 WeakPolarHBondContact OD1-CB 3.12Å; D531-M533 PolarHBondContact OD1-N 3.28Å; M533-R535 VanDerWaalsContact C-N 3.34Å; M533-R535 PolarHBondContact O-N 2.97Å; M533-K536 PolarHBondContact O-N 3.41Å; M533-I537 WeakPolarHBondContact O-CG1 3.42Å; M533-I537 PolarHBondContact O-N 3.31Å |
| 534 | K | 86.6 | Confident | 88.2 | Confident | 125 Ų | 125 | 77.2 Ų | 77.2 | 54% | 0.543 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.1 | -72.1 | -178.5 | -174.8 | -178.5 | 0 | 111.7 | P529 D531 K536 I537 Q538 | P529-K534 HydrophobicContact CB-CB 4.12Å; D531-K534 HydrophobicContact CB-CB 4.29Å; D531-K534 HydrophobicContact CB-CD 4.14Å; D531-K534 HydrophobicContact CB-CG 4.12Å; D531-K534 PolarHBondContact O-N 3.22Å; K534-K536 VanDerWaalsContact C-N 3.33Å; K534-K536 PolarHBondContact O-N 3.37Å; K534-I537 PolarHBondContact O-N 3.11Å; K534-Q538 WeakPolarHBondContact O-CG 3.23Å; K534-Q538 PolarHBondContact O-N 2.98Å |
| 535 | R | 88.9 | Confident | 88.2 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.9 | -61 | -175.4 | -171.8 | -168.9 | -3.3 | 111.7 | Y520 P529 D531 P532 M533 I537 Q538 K539 D690 T703 | Y520-R535 HydrophobicContact CE1-CB 4.45Å; Y520-R535 HydrophobicContact CE2-CG 4.24Å; P529-R535 HydrophobicContact CB-CG 4.39Å; P529-R535 VanDerWaalsContact O-CZ 3.26Å; P529-R535 PolarHBondContact O-NE 3.48Å; P529-R535 PolarHBondContact O-NH2 3.29Å; D531-R535 PolarHBondContact O-N 3.02Å; P532-R535 PolarHBondContact O-N 3.25Å; M533-R535 VanDerWaalsContact C-N 3.34Å; M533-R535 PolarHBondContact O-N 2.97Å; R535-I537 PolarHBondContact O-N 3.18Å; R535-Q538 PolarHBondContact O-N 3.08Å; R535-K539 PolarHBondContact O-N 2.94Å; R535-D690 WeakPolarHBondContact CD-OD2 3.34Å; R535-D690 IonicContact CZ-OD2 3.72Å; R535-D690 IonicContact NE-OD2 3.77Å; R535-D690 VanDerWaalsContact NH1-CG 3.3Å; R535-D690 IonicContact NH1-OD1 2.9Å; R535-D690 PolarHBondContact NH1-OD1 3.39Å; R535-D690 VanDerWaalsContact NH1-OD1 3.12Å; R535-D690 IonicContact NH1-OD2 3.55Å; R535-D690 PolarHBondContact NH1-OD2 3.05Å; R535-T703 PolarHBondContact NH1-OG1 3.09Å |
| 536 | K | 84.4 | Confident | 88.5 | Confident | 108 Ų | 108 | 67 Ų | 67 | 47% | 0.47 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.9 | -170.8 | 174.2 | -179.7 | 176.9 | 0 | 112.3 | E236 P532 M533 K534 Q538 K539 | E236-K536 WeakPolarHBondContact OE1-CE 3.44Å; E236-K536 IonicContact OE1-NZ 3.34Å; P532-K536 WeakPolarHBondContact O-CB 3.3Å; P532-K536 PolarHBondContact O-N 2.92Å; M533-K536 PolarHBondContact O-N 3.41Å; K534-K536 VanDerWaalsContact C-N 3.33Å; K534-K536 PolarHBondContact O-N 3.37Å; K536-Q538 VanDerWaalsContact C-N 3.31Å; K536-Q538 PolarHBondContact O-N 3.28Å; K536-K539 WeakPolarHBondContact O-CB 3.31Å; K536-K539 PolarHBondContact O-N 3.44Å |
| 537 | I | 83.4 | Confident | 88.6 | Confident | 140 Ų | 140 | 64.3 Ų | 64.3 | 72% | 0.718 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.9 | -31.7 | 179.1 | -65.7 | 163.8 | 0 | 0 | 0 | 111.8 | M533 K534 R535 K539 | M533-I537 WeakPolarHBondContact O-CG1 3.42Å; M533-I537 PolarHBondContact O-N 3.31Å; K534-I537 PolarHBondContact O-N 3.11Å; R535-I537 PolarHBondContact O-N 3.18Å; I537-K539 VanDerWaalsContact C-N 3.28Å; I537-K539 PolarHBondContact O-N 3.3Å |
| 538 | Q | 86.3 | Confident | 88.5 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 3.9 | 179 | -69.5 | 178.1 | -22.3 | 0 | 0 | 114.1 | Y520 K534 R535 K536 I540 | Y520-Q538 WeakPolarHBondContact CA-O 3.35Å; Y520-Q538 WeakPolarHBondContact CB-O 3.44Å; K534-Q538 WeakPolarHBondContact O-CG 3.23Å; K534-Q538 PolarHBondContact O-N 2.98Å; R535-Q538 PolarHBondContact O-N 3.08Å; K536-Q538 VanDerWaalsContact C-N 3.31Å; K536-Q538 PolarHBondContact O-N 3.28Å; Q538-I540 PolarHBondContact O-N 3.39Å |
| 539 | K | 89.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 131.4 | 178.9 | -76.9 | -175.4 | 170.1 | -160.2 | 0 | 111.3 | Q517 N518 T519 R535 K536 I537 | Q517-K539 PolarHBondContact O-NZ 3.37Å; N518-K539 HydrophobicContact CB-CB 4.2Å; N518-K539 HydrophobicContact CB-CD 4.32Å; T519-K539 CarbonylContact O-C 3.43Å; T519-K539 WeakPolarHBondContact O-CA 3.36Å; R535-K539 PolarHBondContact O-N 2.94Å; K536-K539 WeakPolarHBondContact O-CB 3.31Å; K536-K539 PolarHBondContact O-N 3.44Å; I537-K539 VanDerWaalsContact C-N 3.28Å; I537-K539 PolarHBondContact O-N 3.3Å |
| 540 | I | 90.4 | Very high | 88.8 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.3 | 178.3 | -53.1 | 174.6 | 0 | 0 | 0 | 107.3 | N518 T519 F521 Q538 Y542 Y543 P684 | N518-I540 WeakPolarHBondContact CB-O 3.33Å; T519-I540 PolarHBondContact O-N 3.02Å; F521-I540 HydrophobicContact CB-CD1 3.84Å; Q538-I540 PolarHBondContact O-N 3.39Å; I540-Y542 HydrophobicContact CG2-CD1 3.4Å; I540-Y542 VanDerWaalsContact CG2-CD1 3.4Å; I540-Y542 HydrophobicContact CG2-CE1 3.26Å; I540-Y542 HydrophobicContact CG2-CG 4.47Å; I540-Y543 HydrophobicContact CG2-CD1 4.34Å; I540-Y543 WeakPolarHBondContact O-CE1 3.33Å; I540-P684 HydrophobicContact CD1-CG 3.47Å; I540-P684 VanDerWaalsContact CD1-CG 3.47Å |
| 541 | G | 89 | Confident | 89 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | trans | -115.8 | -11 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N518 Y543 Q544 | N518-G541 VanDerWaalsContact OD1-CA 3.25Å; N518-G541 WeakPolarHBondContact OD1-CA 3.43Å; G541-Y543 PolarHBondContact O-N 3.37Å; G541-Y543 VanDerWaalsContact O-N 3.13Å; G541-Q544 PolarHBondContact O-N 3.28Å | ||
| 542 | Y | 91.4 | Very high | 89.1 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -60.4 | -31.3 | -169.8 | 73.6 | -102.8 | 0 | 0 | 0 | 113.2 | I540 Q544 W545 V546 F655 L656 F683 N711 | I540-Y542 HydrophobicContact CG2-CD1 3.4Å; I540-Y542 VanDerWaalsContact CG2-CD1 3.4Å; I540-Y542 HydrophobicContact CG2-CE1 3.26Å; I540-Y542 HydrophobicContact CG2-CG 4.47Å; Y542-Q544 PolarHBondContact O-N 2.85Å; Y542-Q544 VanDerWaalsContact O-N 3.16Å; Y542-W545 PolarHBondContact O-N 3.02Å; Y542-V546 HydrophobicContact CD2-CG2 4.18Å; Y542-V546 WeakPolarHBondContact O-CG2 3.41Å; Y542-V546 PolarHBondContact O-N 3.39Å; Y542-F655 HydrophobicContact CD2-CE1 4.15Å; Y542-F655 HydrophobicContact CG-CE1 4.35Å; Y542-F655 VanDerWaalsContact O-CZ 3.26Å; Y542-F655 WeakPolarHBondContact O-CZ 3.27Å; Y542-L656 HydrophobicContact CD2-CD2 4Å; Y542-L656 HydrophobicContact CE2-CD2 4.06Å; Y542-L656 HydrophobicContact CG-CD2 4.31Å; Y542-F683 HydrophobicContact CE2-CD1 4.15Å; Y542-F683 HydrophobicContact CE2-CE1 4.11Å; Y542-F683 AromaticContact CZ-CD1 3.97Å; Y542-F683 WeakPolarHBondContact OH-CD1 3.31Å; Y542-N711 WeakPolarHBondContact CE2-OD1 3.39Å; Y542-N711 PolarHBondContact OH-ND2 3.47Å; Y542-N711 PolarHBondContact OH-OD1 2.91Å |
| 543 | Y | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -61.7 | -27.3 | -175.6 | 61.1 | -102.6 | 0 | 0 | 0 | 112.9 | F515 N518 T519 I540 G541 W545 L708 I710 | F515-Y543 HydrophobicContact CD2-CD2 4.39Å; F515-Y543 AromaticContact CD2-CE2 3.83Å; F515-Y543 HydrophobicContact CD2-CE2 3.83Å; F515-Y543 AromaticContact CE2-CD2 3.85Å; F515-Y543 HydrophobicContact CE2-CD2 3.85Å; F515-Y543 AromaticContact CE2-CE2 3.73Å; F515-Y543 HydrophobicContact CE2-CE2 3.73Å; N518-Y543 WeakPolarHBondContact CA-OH 3.43Å; T519-Y543 PolarHBondContact N-OH 2.95Å; I540-Y543 HydrophobicContact CG2-CD1 4.34Å; I540-Y543 WeakPolarHBondContact O-CE1 3.33Å; G541-Y543 PolarHBondContact O-N 3.37Å; G541-Y543 VanDerWaalsContact O-N 3.13Å; Y543-W545 PolarHBondContact O-N 3.05Å; Y543-L708 HydrophobicContact CD1-CD1 4.44Å; Y543-L708 HydrophobicContact CD1-CD2 3.5Å; Y543-L708 VanDerWaalsContact CD1-CD2 3.5Å; Y543-L708 HydrophobicContact CD2-CD1 4.02Å; Y543-L708 HydrophobicContact CD2-CD2 4.45Å; Y543-L708 HydrophobicContact CE1-CD1 4.43Å; Y543-L708 HydrophobicContact CE1-CD2 3.83Å; Y543-L708 HydrophobicContact CE2-CD1 4.06Å; Y543-L708 HydrophobicContact CG-CD1 4.23Å; Y543-L708 HydrophobicContact CG-CD2 3.84Å; Y543-I710 HydrophobicContact CD2-CG2 4.33Å; Y543-I710 HydrophobicContact CG-CG2 4.46Å |
| 544 | Q | 88.4 | Confident | 90.1 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -68.8 | -24 | 175.6 | -59.3 | 175 | -19.2 | 0 | 0 | 112.2 | M272 Q488 F515 I516 N518 G541 Y542 | M272-Q544 HydrophobicContact CE-CB 3.94Å; M272-Q544 VanDerWaalsContact CE-CD 3.45Å; M272-Q544 HydrophobicContact CE-CG 4.06Å; M272-Q544 VanDerWaalsContact CE-OE1 3.23Å; Q488-Q544 PolarHBondContact NE2-O 2.99Å; F515-Q544 HydrophobicContact CZ-CG 4.28Å; F515-Q544 PolarHBondContact O-NE2 3.39Å; I516-Q544 PolarHBondContact O-NE2 3.2Å; N518-Q544 PolarHBondContact OD1-NE2 3.03Å; N518-Q544 PolarHBondContact OD1-OE1 3.41Å; G541-Q544 PolarHBondContact O-N 3.28Å; Y542-Q544 PolarHBondContact O-N 2.85Å; Y542-Q544 VanDerWaalsContact O-N 3.16Å |
| 545 | W | 89.3 | Confident | 90.4 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -3.4 | -165.4 | -57.6 | 105.4 | 0 | 0 | 0 | 113.7 | M272 K276 Y542 Y543 I548 M549 F655 | M272-W545 HydrophobicContact CE-CH2 4.09Å; M272-W545 HydrophobicContact CE-CZ2 3.79Å; K276-W545 HydrophobicContact CD-CH2 3.99Å; K276-W545 HydrophobicContact CD-CZ3 4.37Å; K276-W545 HydrophobicContact CG-CH2 3.72Å; K276-W545 HydrophobicContact CG-CZ3 3.87Å; Y542-W545 PolarHBondContact O-N 3.02Å; Y543-W545 PolarHBondContact O-N 3.05Å; W545-I548 HydrophobicContact CE3-CD1 3.74Å; W545-I548 HydrophobicContact CZ3-CD1 3.84Å; W545-I548 PolarHBondContact O-N 2.83Å; W545-I548 VanDerWaalsContact O-N 3.12Å; W545-M549 WeakPolarHBondContact O-CB 3.23Å; W545-M549 PolarHBondContact O-N 3.46Å; W545-F655 HydrophobicContact CB-CE2 3.77Å; W545-F655 HydrophobicContact CB-CZ 3.91Å |
| 546 | V | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.8 | -46.1 | -176.1 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | V484 Y542 I548 M549 L550 F655 Y718 | V484-V546 HydrophobicContact CG1-CB 4.32Å; V484-V546 HydrophobicContact CG1-CG1 4.19Å; V484-V546 HydrophobicContact CG2-CG1 4.33Å; Y542-V546 HydrophobicContact CD2-CG2 4.18Å; Y542-V546 WeakPolarHBondContact O-CG2 3.41Å; Y542-V546 PolarHBondContact O-N 3.39Å; V546-I548 PolarHBondContact O-N 2.99Å; V546-M549 PolarHBondContact O-N 3.37Å; V546-L550 HydrophobicContact CG1-CD1 3.78Å; V546-L550 HydrophobicContact CG1-CG 4.12Å; V546-L550 WeakPolarHBondContact O-CB 3.41Å; V546-L550 VanDerWaalsContact O-CG 3.24Å; V546-L550 WeakPolarHBondContact O-CG 3.22Å; V546-L550 PolarHBondContact O-N 3.11Å; V546-F655 HydrophobicContact CG2-CE1 4.11Å; V546-F655 HydrophobicContact CG2-CZ 4.25Å; V546-Y718 HydrophobicContact CB-CE2 4.49Å; V546-Y718 HydrophobicContact CG1-CE2 3.81Å; V546-Y718 HydrophobicContact CG2-CE2 3.92Å |
| 547 | P | 90.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.8 | -23.8 | 33.4 | 0 | 0 | 0 | 114.4 | V484 S485 Q488 A551 | V484-P547 HydrophobicContact CB-CG 4.06Å; V484-P547 HydrophobicContact CG1-CG 3.69Å; S485-P547 VanDerWaalsContact OG-CB 3.29Å; S485-P547 WeakPolarHBondContact OG-CB 3.44Å; Q488-P547 VanDerWaalsContact OE1-CD 3.29Å; Q488-P547 VanDerWaalsContact OE1-CG 3.25Å; P547-A551 WeakPolarHBondContact O-CB 3.33Å; P547-A551 PolarHBondContact O-N 3.38Å |
| 548 | I | 88.1 | Confident | 91.7 | Very high | 95 Ų | 95 | 38.3 Ų | 38.3 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.2 | -42.8 | 179.8 | -67.8 | 166.8 | 0 | 0 | 0 | 109.7 | W545 V546 A551 M552 | W545-I548 HydrophobicContact CE3-CD1 3.74Å; W545-I548 HydrophobicContact CZ3-CD1 3.84Å; W545-I548 PolarHBondContact O-N 2.83Å; W545-I548 VanDerWaalsContact O-N 3.12Å; V546-I548 PolarHBondContact O-N 2.99Å; I548-A551 PolarHBondContact O-N 3.33Å; I548-M552 WeakPolarHBondContact O-CB 3.47Å; I548-M552 PolarHBondContact O-N 2.91Å |
| 549 | M | 91.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -51 | 176.2 | 177.3 | 56 | -176.6 | 0 | 0 | 110.8 | W545 V546 A551 M552 Q553 I651 F655 | W545-M549 WeakPolarHBondContact O-CB 3.23Å; W545-M549 PolarHBondContact O-N 3.46Å; V546-M549 PolarHBondContact O-N 3.37Å; M549-A551 VanDerWaalsContact C-N 3.33Å; M549-A551 PolarHBondContact O-N 3.44Å; M549-M552 HydrophobicContact CE-CE 4.41Å; M549-M552 WeakPolarHBondContact O-CB 3.44Å; M549-M552 PolarHBondContact O-N 3.24Å; M549-M552 VanDerWaalsContact O-N 3.14Å; M549-M552 HydrophobicContact SD-CE 3.5Å; M549-M552 WeakPolarHBondContact SD-CE 3.25Å; M549-Q553 VanDerWaalsContact CE-CD 3.5Å; M549-Q553 HydrophobicContact CE-CG 3.74Å; M549-Q553 VanDerWaalsContact O-CG 3.32Å; M549-Q553 WeakPolarHBondContact O-CG 3.36Å; M549-Q553 PolarHBondContact O-N 2.71Å; M549-Q553 HydrophobicContact SD-CG 4.17Å; M549-I651 HydrophobicContact CE-CB 4.14Å; M549-I651 HydrophobicContact CE-CG2 3.25Å; M549-I651 HydrophobicContact SD-CG2 3.91Å; M549-F655 HydrophobicContact CB-CD2 4.33Å; M549-F655 HydrophobicContact CB-CE1 4.2Å; M549-F655 HydrophobicContact CB-CE2 3.87Å; M549-F655 HydrophobicContact CB-CZ 3.79Å; M549-F655 HydrophobicContact CE-CB 3.99Å; M549-F655 HydrophobicContact CE-CG 4.18Å; M549-F655 HydrophobicContact CG-CD1 3.93Å; M549-F655 HydrophobicContact CG-CD2 3.99Å; M549-F655 HydrophobicContact CG-CE1 3.96Å; M549-F655 HydrophobicContact CG-CE2 4.01Å; M549-F655 HydrophobicContact CG-CG 3.94Å; M549-F655 HydrophobicContact CG-CZ 3.98Å; M549-F655 HydrophobicContact SD-CB 4.45Å; M549-F655 HydrophobicContact SD-CD2 4.15Å; M549-F655 HydrophobicContact SD-CG 4.19Å |
| 550 | L | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 177.5 | -67.4 | 174.2 | 0 | 0 | 0 | 112.5 | L477 L480 A481 V484 V546 Q553 A554 I717 L721 | L477-L550 HydrophobicContact CD2-CD2 3.82Å; L480-L550 HydrophobicContact CB-CD1 3.93Å; A481-L550 HydrophobicContact CB-CB 3.83Å; V484-L550 HydrophobicContact CG2-CD1 4.39Å; V546-L550 HydrophobicContact CG1-CD1 3.78Å; V546-L550 HydrophobicContact CG1-CG 4.12Å; V546-L550 WeakPolarHBondContact O-CB 3.41Å; V546-L550 VanDerWaalsContact O-CG 3.24Å; V546-L550 WeakPolarHBondContact O-CG 3.22Å; V546-L550 PolarHBondContact O-N 3.11Å; L550-Q553 PolarHBondContact O-N 3.15Å; L550-A554 WeakPolarHBondContact O-CB 3.48Å; L550-A554 PolarHBondContact O-N 3.44Å; L550-I717 HydrophobicContact CD1-CG2 4.34Å; L550-I717 HydrophobicContact CD2-CG2 4.48Å; L550-L721 HydrophobicContact CD2-CD1 3.37Å |
| 551 | A | 91.5 | Very high | 92.3 | Very high | 42 Ų | 42 | 34 Ų | 34 | 35% | 0.347 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P547 I548 M549 A554 L555 | P547-A551 WeakPolarHBondContact O-CB 3.33Å; P547-A551 PolarHBondContact O-N 3.38Å; I548-A551 PolarHBondContact O-N 3.33Å; M549-A551 VanDerWaalsContact C-N 3.33Å; M549-A551 PolarHBondContact O-N 3.44Å; A551-A554 WeakPolarHBondContact O-CB 3.4Å; A551-A554 PolarHBondContact O-N 3.26Å; A551-L555 PolarHBondContact O-N 3.3Å |
| 552 | M | 92.2 | Very high | 92.2 | Very high | 81 Ų | 81 | 36 Ų | 36 | 40% | 0.399 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 175 | -177.1 | -171.2 | 74.2 | 0 | 0 | 111.3 | I548 M549 A554 L555 M556 I651 | I548-M552 WeakPolarHBondContact O-CB 3.47Å; I548-M552 PolarHBondContact O-N 2.91Å; M549-M552 HydrophobicContact CE-CE 4.41Å; M549-M552 WeakPolarHBondContact O-CB 3.44Å; M549-M552 PolarHBondContact O-N 3.24Å; M549-M552 VanDerWaalsContact O-N 3.14Å; M549-M552 HydrophobicContact SD-CE 3.5Å; M549-M552 WeakPolarHBondContact SD-CE 3.25Å; M552-A554 VanDerWaalsContact C-N 3.3Å; M552-A554 PolarHBondContact O-N 3.27Å; M552-L555 WeakPolarHBondContact O-CB 3.29Å; M552-L555 PolarHBondContact O-N 2.57Å; M552-M556 WeakPolarHBondContact O-CG 3.49Å; M552-M556 PolarHBondContact O-N 3.26Å; M552-I651 HydrophobicContact CE-CD1 4.47Å; M552-I651 HydrophobicContact CE-CG2 3.8Å |
| 553 | Q | 95.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.5 | -64.3 | -172.5 | -51 | 0 | 0 | 111.3 | L477 M549 L550 L555 M556 F557 Q648 | L477-Q553 HydrophobicContact CD1-CB 3.96Å; L477-Q553 HydrophobicContact CD2-CB 4.33Å; M549-Q553 VanDerWaalsContact CE-CD 3.5Å; M549-Q553 HydrophobicContact CE-CG 3.74Å; M549-Q553 VanDerWaalsContact O-CG 3.32Å; M549-Q553 WeakPolarHBondContact O-CG 3.36Å; M549-Q553 PolarHBondContact O-N 2.71Å; M549-Q553 HydrophobicContact SD-CG 4.17Å; L550-Q553 PolarHBondContact O-N 3.15Å; Q553-L555 VanDerWaalsContact C-N 3.35Å; Q553-L555 PolarHBondContact O-N 3.18Å; Q553-M556 PolarHBondContact O-N 3.47Å; Q553-F557 WeakPolarHBondContact O-CD2 3.43Å; Q553-F557 PolarHBondContact O-N 2.83Å; Q553-Q648 VanDerWaalsContact CB-OE1 3.31Å |
| 554 | A | 95.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T474 L477 L478 L550 A551 M552 M556 F557 Y558 | T474-A554 HydrophobicContact CG2-CB 4.18Å; L477-A554 HydrophobicContact CB-CB 3.67Å; L477-A554 HydrophobicContact CD1-CB 4.27Å; L478-A554 HydrophobicContact CD2-CB 4.06Å; L478-A554 HydrophobicContact CG-CB 4Å; L550-A554 WeakPolarHBondContact O-CB 3.48Å; L550-A554 PolarHBondContact O-N 3.44Å; A551-A554 WeakPolarHBondContact O-CB 3.4Å; A551-A554 PolarHBondContact O-N 3.26Å; M552-A554 VanDerWaalsContact C-N 3.3Å; M552-A554 PolarHBondContact O-N 3.27Å; A554-M556 VanDerWaalsContact C-N 3.34Å; A554-M556 PolarHBondContact O-N 3.09Å; A554-F557 PolarHBondContact O-N 3.41Å; A554-Y558 PolarHBondContact O-N 2.78Å |
| 555 | L | 93.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 39.1 Ų | 39.1 | 54% | 0.539 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 175.6 | 177.2 | 63.5 | 0 | 0 | 0 | 111.2 | A551 M552 Q553 F557 Y558 L559 | A551-L555 PolarHBondContact O-N 3.3Å; M552-L555 WeakPolarHBondContact O-CB 3.29Å; M552-L555 PolarHBondContact O-N 2.57Å; Q553-L555 VanDerWaalsContact C-N 3.35Å; Q553-L555 PolarHBondContact O-N 3.18Å; L555-F557 VanDerWaalsContact C-N 3.31Å; L555-F557 PolarHBondContact O-N 3.17Å; L555-Y558 WeakPolarHBondContact O-CB 3.43Å; L555-Y558 PolarHBondContact O-N 2.9Å; L555-L559 WeakPolarHBondContact O-CG 3.36Å; L555-L559 PolarHBondContact O-N 3.32Å; L555-L559 VanDerWaalsContact O-N 3.11Å |
| 556 | M | 95.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 20% | 0.202 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | -179.9 | -69.3 | -175.1 | 75.7 | 0 | 0 | 112.8 | M552 Q553 A554 Y558 L559 P560 N644 I647 Q648 I651 | M552-M556 WeakPolarHBondContact O-CG 3.49Å; M552-M556 PolarHBondContact O-N 3.26Å; Q553-M556 PolarHBondContact O-N 3.47Å; A554-M556 VanDerWaalsContact C-N 3.34Å; A554-M556 PolarHBondContact O-N 3.09Å; M556-Y558 VanDerWaalsContact C-N 3.27Å; M556-Y558 PolarHBondContact O-N 3.34Å; M556-L559 PolarHBondContact O-N 2.73Å; M556-P560 VanDerWaalsContact O-CD 3.25Å; M556-P560 WeakPolarHBondContact O-CD 3.3Å; M556-N644 WeakPolarHBondContact CB-OD1 3.45Å; M556-N644 PolarHBondContact O-ND2 3.48Å; M556-N644 PolarHBondContact O-OD1 3.05Å; M556-I647 HydrophobicContact CE-CG2 3.78Å; M556-Q648 PolarHBondContact SD-NE2 3.41Å; M556-I651 HydrophobicContact CE-CD1 3.77Å; M556-I651 HydrophobicContact SD-CD1 3.53Å; M556-I651 VanDerWaalsContact SD-CD1 3.53Å |
| 557 | F | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -29.6 | 171.6 | -93 | -71.2 | 0 | 0 | 0 | 114.4 | N469 Y470 L477 Q553 A554 L555 N644 V645 Q648 M725 V728 | N469-F557 HydrophobicContact CB-CD1 4.08Å; N469-F557 HydrophobicContact CB-CE1 4.42Å; N469-F557 WeakPolarHBondContact OD1-CE1 3.4Å; Y470-F557 WeakPolarHBondContact CA-O 3.26Å; L477-F557 HydrophobicContact CD1-CD2 3.61Å; L477-F557 HydrophobicContact CD1-CE2 4.02Å; Q553-F557 WeakPolarHBondContact O-CD2 3.43Å; Q553-F557 PolarHBondContact O-N 2.83Å; A554-F557 PolarHBondContact O-N 3.41Å; L555-F557 VanDerWaalsContact C-N 3.31Å; L555-F557 PolarHBondContact O-N 3.17Å; F557-N644 WeakPolarHBondContact CA-ND2 3.37Å; F557-V645 HydrophobicContact CE1-CG2 3.78Å; F557-V645 HydrophobicContact CZ-CG2 4.13Å; F557-Q648 HydrophobicContact CD2-CG 4.32Å; F557-Q648 HydrophobicContact CE2-CG 3.75Å; F557-Q648 HydrophobicContact CZ-CG 4.18Å; F557-M725 HydrophobicContact CE2-CE 3.65Å; F557-M725 HydrophobicContact CE2-SD 3.4Å; F557-M725 WeakPolarHBondContact CE2-SD 3.22Å; F557-M725 HydrophobicContact CZ-CE 3.38Å; F557-M725 HydrophobicContact CZ-SD 3.31Å; F557-M725 WeakPolarHBondContact CZ-SD 3.35Å; F557-V728 HydrophobicContact CE1-CG1 4.14Å |
| 558 | Y | 93.3 | Very high | 91.1 | Very high | 108 Ų | 108 | 44 Ų | 44 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -83 | -21.3 | 178.2 | -166.2 | -98.4 | 0 | 0 | 0 | 113.3 | Y470 A554 L555 M556 N561 T562 | Y470-Y558 HydrophobicContact CD2-CD2 4.32Å; Y470-Y558 HydrophobicContact CD2-CE2 4.22Å; A554-Y558 PolarHBondContact O-N 2.78Å; L555-Y558 WeakPolarHBondContact O-CB 3.43Å; L555-Y558 PolarHBondContact O-N 2.9Å; M556-Y558 VanDerWaalsContact C-N 3.27Å; M556-Y558 PolarHBondContact O-N 3.34Å; Y558-N561 PolarHBondContact O-N 3.47Å; Y558-T562 WeakPolarHBondContact CD1-OG1 3.32Å; Y558-T562 WeakPolarHBondContact CE1-OG1 3.5Å; Y558-T562 PolarHBondContact O-N 3.41Å; Y558-T562 VanDerWaalsContact O-N 3.1Å; Y558-T562 PolarHBondContact O-OG1 2.88Å; Y558-T562 VanDerWaalsContact O-OG1 3.11Å |
| 559 | L | 92.9 | Very high | 90.5 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.3 | -46.3 | -175.6 | -74.4 | 179.3 | 0 | 0 | 0 | 114.5 | L555 M556 N561 T562 F563 | L555-L559 WeakPolarHBondContact O-CG 3.36Å; L555-L559 PolarHBondContact O-N 3.32Å; L555-L559 VanDerWaalsContact O-N 3.11Å; M556-L559 PolarHBondContact O-N 2.73Å; L559-N561 VanDerWaalsContact C-N 3.3Å; L559-N561 PolarHBondContact O-N 3.32Å; L559-T562 CarbonylContact O-C 3.52Å; L559-T562 WeakPolarHBondContact O-CA 3.34Å; L559-T562 WeakPolarHBondContact O-CB 3.42Å; L559-T562 PolarHBondContact O-N 3.29Å; L559-F563 PolarHBondContact O-N 2.86Å |
| 560 | P | 94.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -36.3 | -179.7 | -23.7 | 33.7 | 0 | 0 | 0 | 113.1 | M556 T562 F563 W564 L640 F641 N644 | M556-P560 VanDerWaalsContact O-CD 3.25Å; M556-P560 WeakPolarHBondContact O-CD 3.3Å; P560-T562 VanDerWaalsContact C-N 3.35Å; P560-F563 WeakPolarHBondContact O-CB 3.5Å; P560-F563 PolarHBondContact O-N 2.8Å; P560-W564 PolarHBondContact O-N 3.37Å; P560-L640 HydrophobicContact CB-CB 3.98Å; P560-L640 HydrophobicContact CG-CB 4.22Å; P560-F641 HydrophobicContact CB-CD1 3.64Å; P560-F641 HydrophobicContact CB-CD2 3.9Å; P560-F641 HydrophobicContact CB-CE1 3.66Å; P560-F641 HydrophobicContact CB-CE2 3.92Å; P560-F641 HydrophobicContact CB-CG 3.77Å; P560-F641 HydrophobicContact CB-CZ 3.81Å; P560-F641 HydrophobicContact CG-CD1 3.81Å; P560-F641 HydrophobicContact CG-CE1 4.07Å; P560-F641 HydrophobicContact CG-CG 4.23Å; P560-N644 HydrophobicContact CG-CB 4.28Å |
| 561 | N | 90.9 | Very high | 88.7 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 172.9 | -175 | 37.7 | 0 | 0 | 0 | 111.3 | Y470 Y558 L559 F563 W564 N565 F641 | Y470-N561 HydrophobicContact CD1-CB 4.07Å; Y470-N561 HydrophobicContact CD2-CB 4.25Å; Y470-N561 WeakPolarHBondContact CD2-ND2 3.01Å; Y470-N561 HydrophobicContact CG-CB 3.71Å; Y558-N561 PolarHBondContact O-N 3.47Å; L559-N561 VanDerWaalsContact C-N 3.3Å; L559-N561 PolarHBondContact O-N 3.32Å; N561-F563 VanDerWaalsContact C-N 3.33Å; N561-F563 PolarHBondContact O-N 2.99Å; N561-W564 PolarHBondContact O-N 3.48Å; N561-N565 PolarHBondContact ND2-ND2 2.9Å; N561-N565 WeakPolarHBondContact O-CB 3.47Å; N561-N565 PolarHBondContact O-N 3.29Å; N561-N565 PolarHBondContact O-ND2 3.31Å; N561-N565 PolarHBondContact OD1-ND2 2.96Å; N561-F641 HydrophobicContact CB-CZ 4.04Å |
| 562 | T | 88.2 | Confident | 87.5 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 37% | 0.368 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -43 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | Y558 L559 P560 N565 Y566 | Y558-T562 WeakPolarHBondContact CD1-OG1 3.32Å; Y558-T562 WeakPolarHBondContact CE1-OG1 3.5Å; Y558-T562 PolarHBondContact O-N 3.41Å; Y558-T562 VanDerWaalsContact O-N 3.1Å; Y558-T562 PolarHBondContact O-OG1 2.88Å; Y558-T562 VanDerWaalsContact O-OG1 3.11Å; L559-T562 CarbonylContact O-C 3.52Å; L559-T562 WeakPolarHBondContact O-CA 3.34Å; L559-T562 WeakPolarHBondContact O-CB 3.42Å; L559-T562 PolarHBondContact O-N 3.29Å; P560-T562 VanDerWaalsContact C-N 3.35Å; T562-N565 PolarHBondContact O-N 2.97Å; T562-Y566 VanDerWaalsContact O-CB 3.27Å; T562-Y566 WeakPolarHBondContact O-CB 3.35Å; T562-Y566 PolarHBondContact O-N 3.39Å |
| 563 | F | 91.5 | Very high | 86.6 | Confident | 60 Ų | 60 | 44.3 Ų | 44.3 | 26% | 0.263 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -49.1 | 173.5 | 171.3 | -89 | 0 | 0 | 0 | 111.6 | L559 P560 N561 N565 Y566 M567 T636 A637 L640 | L559-F563 PolarHBondContact O-N 2.86Å; P560-F563 WeakPolarHBondContact O-CB 3.5Å; P560-F563 PolarHBondContact O-N 2.8Å; N561-F563 VanDerWaalsContact C-N 3.33Å; N561-F563 PolarHBondContact O-N 2.99Å; F563-N565 PolarHBondContact O-N 2.99Å; F563-Y566 PolarHBondContact O-N 3.12Å; F563-M567 HydrophobicContact CD1-CG 4.42Å; F563-M567 HydrophobicContact CD2-CE 4.39Å; F563-M567 HydrophobicContact CD2-CG 3.86Å; F563-M567 HydrophobicContact CE1-CB 4.43Å; F563-M567 HydrophobicContact CE1-CG 4.12Å; F563-M567 HydrophobicContact CE2-CE 3.92Å; F563-M567 HydrophobicContact CE2-CG 3.54Å; F563-M567 HydrophobicContact CG-CG 4.3Å; F563-M567 HydrophobicContact CZ-CB 4.38Å; F563-M567 HydrophobicContact CZ-CG 3.67Å; F563-M567 WeakPolarHBondContact O-CB 3.37Å; F563-M567 WeakPolarHBondContact O-CG 3.08Å; F563-M567 PolarHBondContact O-N 3Å; F563-T636 HydrophobicContact CE1-CG2 4.04Å; F563-T636 HydrophobicContact CZ-CG2 3.95Å; F563-A637 HydrophobicContact CD1-CB 4.17Å; F563-A637 HydrophobicContact CE1-CB 4.42Å; F563-L640 HydrophobicContact CB-CD1 4.2Å; F563-L640 HydrophobicContact CD1-CD1 3.49Å; F563-L640 VanDerWaalsContact CD1-CD1 3.49Å; F563-L640 HydrophobicContact CD2-CD1 3.99Å; F563-L640 HydrophobicContact CE1-CD1 3.76Å; F563-L640 HydrophobicContact CE2-CD1 4.2Å; F563-L640 HydrophobicContact CG-CD1 3.62Å; F563-L640 HydrophobicContact CZ-CD1 4.1Å |
| 564 | W | 90.5 | Very high | 85.5 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.9 | -50.8 | 176.9 | 167.5 | -119.5 | 0 | 0 | 0 | 111.7 | P560 N561 Y566 S568 L575 L630 I633 Y634 A637 F791 | P560-W564 PolarHBondContact O-N 3.37Å; N561-W564 PolarHBondContact O-N 3.48Å; W564-Y566 VanDerWaalsContact C-N 3.29Å; W564-Y566 PolarHBondContact O-N 3.44Å; W564-S568 WeakPolarHBondContact O-CB 3.33Å; W564-S568 PolarHBondContact O-N 2.69Å; W564-S568 PolarHBondContact O-OG 2.96Å; W564-L575 HydrophobicContact CH2-CD2 4.13Å; W564-L575 HydrophobicContact CZ2-CD2 3.46Å; W564-L575 VanDerWaalsContact CZ2-CD2 3.46Å; W564-L630 HydrophobicContact CH2-CD1 3.74Å; W564-L630 HydrophobicContact CH2-CG 4.49Å; W564-L630 HydrophobicContact CZ3-CD1 4.11Å; W564-I633 HydrophobicContact CE3-CG2 3.88Å; W564-I633 HydrophobicContact CZ3-CB 4.48Å; W564-I633 HydrophobicContact CZ3-CG2 3.89Å; W564-Y634 HydrophobicContact CD2-CD2 4.06Å; W564-Y634 AromaticContact CE2-CD2 3.94Å; W564-Y634 AromaticContact CE3-CD2 3.86Å; W564-Y634 HydrophobicContact CE3-CD2 3.86Å; W564-Y634 AromaticContact CH2-CD2 3.45Å; W564-Y634 HydrophobicContact CH2-CD2 3.45Å; W564-Y634 VanDerWaalsContact CH2-CD2 3.45Å; W564-Y634 HydrophobicContact CH2-CE2 4.38Å; W564-Y634 HydrophobicContact CH2-CG 4Å; W564-Y634 AromaticContact CZ2-CD2 3.63Å; W564-Y634 HydrophobicContact CZ2-CD2 3.63Å; W564-Y634 HydrophobicContact CZ2-CE2 4.14Å; W564-Y634 VanDerWaalsContact CZ3-CA 3.49Å; W564-Y634 AromaticContact CZ3-CD2 3.59Å; W564-Y634 HydrophobicContact CZ3-CD2 3.59Å; W564-Y634 HydrophobicContact CZ3-CG 4.02Å; W564-A637 HydrophobicContact CB-CB 3.93Å; W564-A637 HydrophobicContact CE3-CB 4.39Å; W564-F791 HydrophobicContact CH2-CE2 4.17Å; W564-F791 HydrophobicContact CH2-CZ 4.27Å; W564-F791 HydrophobicContact CZ2-CE2 4.12Å; W564-F791 HydrophobicContact CZ2-CZ 4.13Å |
| 565 | N | 85.6 | Confident | 84.6 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 179.7 | -79.2 | -70.2 | 0 | 0 | 0 | 112.7 | N561 T562 F563 S568 K576 | N561-N565 PolarHBondContact ND2-ND2 2.9Å; N561-N565 WeakPolarHBondContact O-CB 3.47Å; N561-N565 PolarHBondContact O-N 3.29Å; N561-N565 PolarHBondContact O-ND2 3.31Å; N561-N565 PolarHBondContact OD1-ND2 2.96Å; T562-N565 PolarHBondContact O-N 2.97Å; F563-N565 PolarHBondContact O-N 2.99Å; N565-S568 PolarHBondContact O-OG 2.83Å; N565-K576 WeakPolarHBondContact OD1-CE 3.33Å; N565-K576 PolarHBondContact OD1-NZ 2.91Å |
| 566 | Y | 83.7 | Confident | 83.8 | Confident | 130 Ų | 130 | 48.6 Ų | 48.6 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -73.9 | -52.3 | 179.2 | -176.8 | -100.1 | 0 | 0 | 0 | 111.3 | T562 F563 W564 S568 W569 Y570 | T562-Y566 VanDerWaalsContact O-CB 3.27Å; T562-Y566 WeakPolarHBondContact O-CB 3.35Å; T562-Y566 PolarHBondContact O-N 3.39Å; F563-Y566 PolarHBondContact O-N 3.12Å; W564-Y566 VanDerWaalsContact C-N 3.29Å; W564-Y566 PolarHBondContact O-N 3.44Å; Y566-S568 PolarHBondContact O-N 2.99Å; Y566-W569 WeakPolarHBondContact O-CB 3.44Å; Y566-W569 PolarHBondContact O-N 3.1Å; Y566-Y570 HydrophobicContact CD1-CD2 4.09Å; Y566-Y570 AromaticContact CD1-CE2 3.99Å; Y566-Y570 HydrophobicContact CD1-CE2 3.99Å; Y566-Y570 HydrophobicContact CD2-CE2 4.18Å; Y566-Y570 AromaticContact CE1-CD2 3.85Å; Y566-Y570 HydrophobicContact CE1-CD2 3.85Å; Y566-Y570 AromaticContact CE1-CE2 3.42Å; Y566-Y570 HydrophobicContact CE1-CE2 3.42Å; Y566-Y570 VanDerWaalsContact CE1-CE2 3.42Å; Y566-Y570 AromaticContact CE2-CE2 3.63Å; Y566-Y570 HydrophobicContact CE2-CE2 3.63Å; Y566-Y570 HydrophobicContact CG-CE2 4.35Å; Y566-Y570 AromaticContact CZ-CE2 3.22Å; Y566-Y570 AromaticContact CZ-CZ 3.88Å; Y566-Y570 WeakPolarHBondContact O-CD2 3.3Å; Y566-Y570 PolarHBondContact O-N 3.13Å; Y566-Y570 WeakPolarHBondContact OH-CE2 3.5Å; Y566-Y570 PolarHBondContact OH-OH 2.48Å; Y566-Y570 VanDerWaalsContact OH-OH 3.09Å |
| 567 | M | 85.5 | Confident | 82.7 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 20% | 0.197 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.7 | -32.4 | -177.1 | -70.2 | -61.6 | 177.5 | 0 | 0 | 113.1 | F563 W569 Y570 S571 F619 I633 | F563-M567 HydrophobicContact CD1-CG 4.42Å; F563-M567 HydrophobicContact CD2-CE 4.39Å; F563-M567 HydrophobicContact CD2-CG 3.86Å; F563-M567 HydrophobicContact CE1-CB 4.43Å; F563-M567 HydrophobicContact CE1-CG 4.12Å; F563-M567 HydrophobicContact CE2-CE 3.92Å; F563-M567 HydrophobicContact CE2-CG 3.54Å; F563-M567 HydrophobicContact CG-CG 4.3Å; F563-M567 HydrophobicContact CZ-CB 4.38Å; F563-M567 HydrophobicContact CZ-CG 3.67Å; F563-M567 WeakPolarHBondContact O-CB 3.37Å; F563-M567 WeakPolarHBondContact O-CG 3.08Å; F563-M567 PolarHBondContact O-N 3Å; M567-W569 PolarHBondContact O-N 2.97Å; M567-Y570 CarbonylContact O-C 3.42Å; M567-Y570 PolarHBondContact O-N 3.28Å; M567-Y570 VanDerWaalsContact O-N 3.11Å; M567-S571 PolarHBondContact O-N 3.04Å; M567-F619 HydrophobicContact SD-CE2 4.47Å; M567-I633 HydrophobicContact CB-CD1 4.41Å; M567-I633 HydrophobicContact CB-CG1 4.5Å; M567-I633 HydrophobicContact CB-CG2 3.52Å |
| 568 | S | 82.4 | Confident | 81.8 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -32.7 | 172.4 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | W564 N565 Y566 S571 | W564-S568 WeakPolarHBondContact O-CB 3.33Å; W564-S568 PolarHBondContact O-N 2.69Å; W564-S568 PolarHBondContact O-OG 2.96Å; N565-S568 PolarHBondContact O-OG 2.83Å; Y566-S568 PolarHBondContact O-N 2.99Å; S568-S571 WeakPolarHBondContact O-CB 3.18Å; S568-S571 PolarHBondContact O-N 3.04Å; S568-S571 PolarHBondContact O-OG 3.46Å |
| 569 | W | 76.4 | Confident | 81.2 | Confident | 129 Ų | 129 | 44.2 Ų | 44.2 | 49% | 0.489 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 171.7 | -176.6 | 91.4 | 0 | 0 | 0 | 111.9 | Y566 M567 S571 G572 | Y566-W569 WeakPolarHBondContact O-CB 3.44Å; Y566-W569 PolarHBondContact O-N 3.1Å; M567-W569 PolarHBondContact O-N 2.97Å; W569-S571 PolarHBondContact O-N 3.31Å; W569-G572 PolarHBondContact O-N 2.71Å |
| 570 | Y | 73 | Confident | 80.4 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.1 | -14.1 | 175.8 | -75.8 | -82.2 | 0 | 0 | 0 | 114.2 | Y566 M567 G572 Y618 F619 | Y566-Y570 HydrophobicContact CD1-CD2 4.09Å; Y566-Y570 AromaticContact CD1-CE2 3.99Å; Y566-Y570 HydrophobicContact CD1-CE2 3.99Å; Y566-Y570 HydrophobicContact CD2-CE2 4.18Å; Y566-Y570 AromaticContact CE1-CD2 3.85Å; Y566-Y570 HydrophobicContact CE1-CD2 3.85Å; Y566-Y570 AromaticContact CE1-CE2 3.42Å; Y566-Y570 HydrophobicContact CE1-CE2 3.42Å; Y566-Y570 VanDerWaalsContact CE1-CE2 3.42Å; Y566-Y570 AromaticContact CE2-CE2 3.63Å; Y566-Y570 HydrophobicContact CE2-CE2 3.63Å; Y566-Y570 HydrophobicContact CG-CE2 4.35Å; Y566-Y570 AromaticContact CZ-CE2 3.22Å; Y566-Y570 AromaticContact CZ-CZ 3.88Å; Y566-Y570 WeakPolarHBondContact O-CD2 3.3Å; Y566-Y570 PolarHBondContact O-N 3.13Å; Y566-Y570 WeakPolarHBondContact OH-CE2 3.5Å; Y566-Y570 PolarHBondContact OH-OH 2.48Å; Y566-Y570 VanDerWaalsContact OH-OH 3.09Å; M567-Y570 CarbonylContact O-C 3.42Å; M567-Y570 PolarHBondContact O-N 3.28Å; M567-Y570 VanDerWaalsContact O-N 3.11Å; Y570-G572 PolarHBondContact O-N 3.23Å; Y570-Y618 HydrophobicContact CD1-CD1 4.22Å; Y570-Y618 AromaticContact CD1-CD2 3.88Å; Y570-Y618 HydrophobicContact CD1-CD2 3.88Å; Y570-Y618 HydrophobicContact CD1-CE2 4.23Å; Y570-Y618 AromaticContact CD1-CG 3.88Å; Y570-Y618 HydrophobicContact CD1-CG 3.88Å; Y570-Y618 HydrophobicContact CE1-CD1 4.3Å; Y570-Y618 HydrophobicContact CE1-CE1 4.37Å; Y570-Y618 HydrophobicContact CE1-CG 4.42Å; Y570-F619 HydrophobicContact CD1-CE2 4.39Å; Y570-F619 HydrophobicContact CG-CE2 4.34Å |
| 571 | S | 74.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.8 | 172.7 | 80.8 | 0 | 0 | 0 | 0 | 113 | M567 S568 W569 F573 R611 | M567-S571 PolarHBondContact O-N 3.04Å; S568-S571 WeakPolarHBondContact O-CB 3.18Å; S568-S571 PolarHBondContact O-N 3.04Å; S568-S571 PolarHBondContact O-OG 3.46Å; W569-S571 PolarHBondContact O-N 3.31Å; S571-F573 VanDerWaalsContact C-N 3.3Å; S571-F573 PolarHBondContact OG-N 3.02Å; S571-R611 PolarHBondContact O-NH1 2.98Å |
| 572 | G | 67 | Low | 78.8 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 47% | 0.474 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -11.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W569 Y570 Y603 | W569-G572 PolarHBondContact O-N 2.71Å; Y570-G572 PolarHBondContact O-N 3.23Å; G572-Y603 PolarHBondContact O-OH 3.23Å; G572-Y603 VanDerWaalsContact O-OH 3.09Å |
| 573 | F | 73.5 | Confident | 78.3 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | trans | -87.5 | 124.2 | 175.6 | -69.1 | -76.3 | 0 | 0 | 0 | 111.8 | S571 L575 Y603 S607 I608 L630 D784 L788 | S571-F573 VanDerWaalsContact C-N 3.3Å; S571-F573 PolarHBondContact OG-N 3.02Å; F573-L575 PolarHBondContact O-N 2.87Å; F573-Y603 WeakPolarHBondContact CA-OH 3.33Å; F573-Y603 AromaticContact CD1-CE1 3.94Å; F573-Y603 HydrophobicContact CD1-CE1 3.94Å; F573-S607 VanDerWaalsContact CE1-OG 3.3Å; F573-S607 WeakPolarHBondContact CE1-OG 3.27Å; F573-I608 HydrophobicContact CZ-CG1 4.26Å; F573-L630 HydrophobicContact CD2-CB 3.89Å; F573-L630 HydrophobicContact CD2-CD1 4.4Å; F573-L630 HydrophobicContact CD2-CD2 3.68Å; F573-L630 HydrophobicContact CD2-CG 4.2Å; F573-L630 HydrophobicContact CE2-CB 3.9Å; F573-L630 HydrophobicContact CE2-CD2 3.93Å; F573-L630 HydrophobicContact CG-CD2 4.17Å; F573-D784 HydrophobicContact CE2-CB 3.8Å; F573-D784 HydrophobicContact CZ-CB 3.95Å; F573-L788 HydrophobicContact CD1-CD2 4.2Å; F573-L788 HydrophobicContact CE1-CD2 4.09Å | ||
| 574 | R | 71.3 | Confident | 77.5 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | trans | -83.3 | 66.1 | 168.4 | -63.6 | -134.4 | -63.9 | -150.1 | -6.7 | 110.8 | S356 K576 S577 I578 Y603 | S356-R574 PolarHBondContact O-NH1 3.41Å; R574-K576 VanDerWaalsContact C-N 3.26Å; R574-K576 PolarHBondContact O-N 3.47Å; R574-K576 VanDerWaalsContact O-N 3.17Å; R574-S577 WeakPolarHBondContact CB-OG 3.41Å; R574-S577 PolarHBondContact O-N 2.71Å; R574-S577 VanDerWaalsContact O-N 3.1Å; R574-S577 PolarHBondContact O-OG 3.36Å; R574-I578 WeakPolarHBondContact O-CD1 3.31Å; R574-I578 WeakPolarHBondContact O-CG1 3.38Å; R574-I578 PolarHBondContact O-N 2.94Å; R574-I578 VanDerWaalsContact O-N 3.13Å; R574-Y603 PolarHBondContact N-OH 2.87Å | ||
| 575 | L | 77.9 | Confident | 76.6 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.4 | -41 | -171.6 | -170.7 | 62.3 | 0 | 0 | 0 | 112.7 | Q461 W564 F573 S577 I578 L579 L788 F791 | Q461-L575 HydrophobicContact CG-CD2 3.83Å; Q461-L575 HydrophobicContact CG-CG 4.07Å; Q461-L575 VanDerWaalsContact NE2-CG 3.27Å; W564-L575 HydrophobicContact CH2-CD2 4.13Å; W564-L575 HydrophobicContact CZ2-CD2 3.46Å; W564-L575 VanDerWaalsContact CZ2-CD2 3.46Å; F573-L575 PolarHBondContact O-N 2.87Å; L575-S577 PolarHBondContact O-N 2.93Å; L575-I578 PolarHBondContact O-N 3.49Å; L575-L579 HydrophobicContact CD1-CD1 3.8Å; L575-L579 HydrophobicContact CD1-CG 4.09Å; L575-L579 HydrophobicContact CD2-CD1 4.48Å; L575-L579 HydrophobicContact CG-CD1 3.76Å; L575-L579 HydrophobicContact CG-CG 4.38Å; L575-L579 WeakPolarHBondContact O-CB 2.92Å; L575-L579 VanDerWaalsContact O-CG 3.29Å; L575-L579 WeakPolarHBondContact O-CG 3.3Å; L575-L579 PolarHBondContact O-N 2.91Å; L575-L788 HydrophobicContact CD1-CD1 3.22Å; L575-F791 HydrophobicContact CD1-CD2 3.76Å; L575-F791 HydrophobicContact CD1-CE2 4.42Å; L575-F791 HydrophobicContact CD2-CD2 3.91Å; L575-F791 HydrophobicContact CD2-CE2 3.86Å; L575-F791 HydrophobicContact CG-CD2 4.45Å |
| 576 | K | 76 | Confident | 76 | Confident | 109 Ų | 109 | 51.9 Ų | 51.9 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 178.4 | -69 | -174.7 | -179 | -179.2 | 0 | 113.1 | N565 R574 Q580 | N565-K576 WeakPolarHBondContact OD1-CE 3.33Å; N565-K576 PolarHBondContact OD1-NZ 2.91Å; R574-K576 VanDerWaalsContact C-N 3.26Å; R574-K576 PolarHBondContact O-N 3.47Å; R574-K576 VanDerWaalsContact O-N 3.17Å; K576-Q580 WeakPolarHBondContact O-CB 3.27Å; K576-Q580 PolarHBondContact O-N 3.16Å |
| 577 | S | 72.4 | Confident | 75.5 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.4 | -36.2 | -179 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | R574 L575 M581 | R574-S577 WeakPolarHBondContact CB-OG 3.41Å; R574-S577 PolarHBondContact O-N 2.71Å; R574-S577 VanDerWaalsContact O-N 3.1Å; R574-S577 PolarHBondContact O-OG 3.36Å; L575-S577 PolarHBondContact O-N 2.93Å; S577-M581 WeakPolarHBondContact O-CB 3.48Å; S577-M581 PolarHBondContact O-N 2.97Å |
| 578 | I | 77 | Confident | 74.4 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 179.8 | -63.4 | 159.7 | 0 | 0 | 0 | 110.4 | R574 L575 M581 A582 I600 Y603 L788 I792 | R574-I578 WeakPolarHBondContact O-CD1 3.31Å; R574-I578 WeakPolarHBondContact O-CG1 3.38Å; R574-I578 PolarHBondContact O-N 2.94Å; R574-I578 VanDerWaalsContact O-N 3.13Å; L575-I578 PolarHBondContact O-N 3.49Å; I578-M581 WeakPolarHBondContact O-CB 3.43Å; I578-M581 PolarHBondContact O-N 3.34Å; I578-A582 WeakPolarHBondContact O-CB 3.42Å; I578-A582 PolarHBondContact O-N 2.94Å; I578-I600 HydrophobicContact CG2-CD1 4.24Å; I578-I600 HydrophobicContact CG2-CG1 4.23Å; I578-I600 HydrophobicContact CG2-CG2 4.34Å; I578-Y603 HydrophobicContact CD1-CD1 3.65Å; I578-Y603 HydrophobicContact CD1-CE1 3.16Å; I578-Y603 HydrophobicContact CG1-CD1 4.27Å; I578-Y603 HydrophobicContact CG1-CE1 4.11Å; I578-L788 HydrophobicContact CG2-CD1 4.3Å; I578-I792 HydrophobicContact CG2-CD1 4.39Å |
| 579 | L | 80.6 | Confident | 74 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.7 | -37 | 179.8 | -67 | 174.8 | 0 | 0 | 0 | 112.1 | Q461 L575 M581 A582 Q583 F791 I792 C795 | Q461-L579 HydrophobicContact CB-CD1 4.34Å; Q461-L579 HydrophobicContact CG-CD1 3.07Å; L575-L579 HydrophobicContact CD1-CD1 3.8Å; L575-L579 HydrophobicContact CD1-CG 4.09Å; L575-L579 HydrophobicContact CD2-CD1 4.48Å; L575-L579 HydrophobicContact CG-CD1 3.76Å; L575-L579 HydrophobicContact CG-CG 4.38Å; L575-L579 WeakPolarHBondContact O-CB 2.92Å; L575-L579 VanDerWaalsContact O-CG 3.29Å; L575-L579 WeakPolarHBondContact O-CG 3.3Å; L575-L579 PolarHBondContact O-N 2.91Å; L579-M581 VanDerWaalsContact C-N 3.33Å; L579-M581 PolarHBondContact O-N 3.26Å; L579-A582 PolarHBondContact O-N 2.72Å; L579-Q583 WeakPolarHBondContact O-CB 3.29Å; L579-Q583 PolarHBondContact O-N 3.48Å; L579-F791 HydrophobicContact CD1-CB 4.11Å; L579-F791 HydrophobicContact CD2-CB 3.81Å; L579-I792 HydrophobicContact CD2-CB 4.43Å; L579-I792 HydrophobicContact CD2-CG1 3.74Å; L579-C795 HydrophobicContact CD2-CB 4.02Å; L579-C795 PolarHBondContact O-SG 3.36Å; L579-C795 VanDerWaalsContact O-SG 3.36Å |
| 580 | Q | 75.6 | Confident | 74 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 171.4 | -175.5 | 179.9 | -17 | 0 | 0 | 111.4 | K576 A582 Q583 E584 | K576-Q580 WeakPolarHBondContact O-CB 3.27Å; K576-Q580 PolarHBondContact O-N 3.16Å; Q580-A582 VanDerWaalsContact C-N 3.34Å; Q580-A582 PolarHBondContact O-N 3.45Å; Q580-Q583 PolarHBondContact O-N 3.06Å; Q580-E584 WeakPolarHBondContact CG-OE1 3.46Å; Q580-E584 PolarHBondContact NE2-OE1 3Å; Q580-E584 WeakPolarHBondContact O-CB 3.33Å; Q580-E584 WeakPolarHBondContact O-CG 3.39Å; Q580-E584 PolarHBondContact O-N 3.42Å |
| 581 | M | 73.8 | Confident | 74.1 | Confident | 74 Ų | 74 | 60.5 Ų | 60.5 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.5 | -170.5 | -176 | -73.8 | 0 | 0 | 111.6 | S577 I578 L579 E584 A585 T596 V599 I600 | S577-M581 WeakPolarHBondContact O-CB 3.48Å; S577-M581 PolarHBondContact O-N 2.97Å; I578-M581 WeakPolarHBondContact O-CB 3.43Å; I578-M581 PolarHBondContact O-N 3.34Å; L579-M581 VanDerWaalsContact C-N 3.33Å; L579-M581 PolarHBondContact O-N 3.26Å; M581-E584 PolarHBondContact O-N 3.08Å; M581-A585 WeakPolarHBondContact O-CB 3.44Å; M581-A585 PolarHBondContact O-N 3.37Å; M581-T596 HydrophobicContact CG-CG2 3.72Å; M581-T596 HydrophobicContact SD-CG2 4.16Å; M581-V599 HydrophobicContact CE-CG1 4.26Å; M581-V599 HydrophobicContact SD-CB 4.37Å; M581-V599 HydrophobicContact SD-CG1 3.9Å; M581-I600 HydrophobicContact SD-CG1 4.49Å |
| 582 | A | 78 | Confident | 73.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I578 L579 Q580 E584 A585 S586 I600 I792 A796 L800 | I578-A582 WeakPolarHBondContact O-CB 3.42Å; I578-A582 PolarHBondContact O-N 2.94Å; L579-A582 PolarHBondContact O-N 2.72Å; Q580-A582 VanDerWaalsContact C-N 3.34Å; Q580-A582 PolarHBondContact O-N 3.45Å; A582-E584 PolarHBondContact O-N 3Å; A582-A585 PolarHBondContact O-N 3.45Å; A582-S586 PolarHBondContact O-N 3.36Å; A582-S586 VanDerWaalsContact O-N 3.09Å; A582-I600 HydrophobicContact CB-CD1 4.14Å; A582-I792 HydrophobicContact CB-CG1 4.28Å; A582-I792 HydrophobicContact CB-CG2 4.07Å; A582-A796 HydrophobicContact CB-CB 4.15Å; A582-A796 WeakPolarHBondContact O-CB 3.37Å; A582-L800 HydrophobicContact CB-CD2 3.81Å; A582-L800 WeakPolarHBondContact O-CD2 3.08Å |
| 583 | Q | 78.6 | Confident | 74.5 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.2 | -168.8 | 177.9 | -3.9 | 0 | 0 | 111.7 | L579 Q580 A585 S586 | L579-Q583 WeakPolarHBondContact O-CB 3.29Å; L579-Q583 PolarHBondContact O-N 3.48Å; Q580-Q583 PolarHBondContact O-N 3.06Å; Q583-A585 VanDerWaalsContact C-N 3.25Å; Q583-A585 PolarHBondContact O-N 3.47Å; Q583-S586 PolarHBondContact O-N 3.38Å |
| 584 | E | 73.4 | Confident | 74.8 | Confident | 101 Ų | 101 | 70.4 Ų | 70.4 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -24.3 | 176.6 | -72.8 | 178.1 | -159.6 | 0 | 0 | 113.4 | Q580 M581 A582 K592 | Q580-E584 WeakPolarHBondContact CG-OE1 3.46Å; Q580-E584 PolarHBondContact NE2-OE1 3Å; Q580-E584 WeakPolarHBondContact O-CB 3.33Å; Q580-E584 WeakPolarHBondContact O-CG 3.39Å; Q580-E584 PolarHBondContact O-N 3.42Å; M581-E584 PolarHBondContact O-N 3.08Å; A582-E584 PolarHBondContact O-N 3Å; E584-K592 PolarHBondContact O-NZ 2.98Å; E584-K592 IonicContact OE2-NZ 3.74Å |
| 585 | A | 73.1 | Confident | 75 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -86 | -18.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M581 A582 Q583 G587 T596 | M581-A585 WeakPolarHBondContact O-CB 3.44Å; M581-A585 PolarHBondContact O-N 3.37Å; A582-A585 PolarHBondContact O-N 3.45Å; Q583-A585 VanDerWaalsContact C-N 3.25Å; Q583-A585 PolarHBondContact O-N 3.47Å; A585-G587 PolarHBondContact O-N 3.44Å; A585-G587 VanDerWaalsContact O-N 3.09Å; A585-T596 HydrophobicContact CB-CG2 3.55Å; A585-T596 WeakPolarHBondContact CB-OG1 3.49Å |
| 586 | S | 72.6 | Confident | 74.9 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -66.9 | -3.8 | 173.7 | -165.7 | 0 | 0 | 0 | 0 | 113.6 | A582 Q583 A796 S797 | A582-S586 PolarHBondContact O-N 3.36Å; A582-S586 VanDerWaalsContact O-N 3.09Å; Q583-S586 PolarHBondContact O-N 3.38Å; S586-A796 PolarHBondContact OG-O 3.28Å; S586-S797 PolarHBondContact OG-OG 2.92Å; S586-S797 VanDerWaalsContact OG-OG 3.13Å |
| 587 | G | 71.8 | Confident | 75.2 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -69.1 | 177.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A585 D589 | A585-G587 PolarHBondContact O-N 3.44Å; A585-G587 VanDerWaalsContact O-N 3.09Å; G587-D589 VanDerWaalsContact C-N 3.28Å; G587-D589 PolarHBondContact O-N 2.97Å |
| 588 | I | 62.7 | Low | 75.5 | Confident | 184 Ų | 184 | 66.8 Ų | 66.8 | 94% | 0.944 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -69 | -16.4 | -167.8 | -60.1 | 170.1 | 0 | 0 | 0 | 114 | A590 | I588-A590 PolarHBondContact O-N 2.75Š|
| 589 | D | 73.8 | Confident | 75.5 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 47% | 0.465 | 36% | 0.364 | S | S | . | . | trans | -81 | 107.5 | -174.1 | -176 | 7.4 | 0 | 0 | 0 | 113.3 | G587 Q591 K592 K593 | G587-D589 VanDerWaalsContact C-N 3.28Å; G587-D589 PolarHBondContact O-N 2.97Å; D589-Q591 VanDerWaalsContact C-N 3.34Å; D589-Q591 PolarHBondContact O-N 2.97Å; D589-Q591 PolarHBondContact OD1-N 3.11Å; D589-Q591 VanDerWaalsContact OD1-N 3.08Å; D589-K592 HydrophobicContact CB-CB 4.01Å; D589-K592 PolarHBondContact O-N 3.11Å; D589-K592 WeakPolarHBondContact OD2-CB 3.34Å; D589-K593 PolarHBondContact O-N 3.44Å | ||
| 590 | A | 77.6 | Confident | 75.6 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.3 | -36.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I588 K593 E594 | I588-A590 PolarHBondContact O-N 2.75Å; A590-K593 PolarHBondContact O-N 2.77Å; A590-E594 PolarHBondContact O-N 3.27Å |
| 591 | Q | 74.6 | Confident | 75.9 | Confident | 155 Ų | 155 | 64.4 Ų | 64.4 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.4 | -42.6 | -180 | -71 | -168.7 | -29.5 | 0 | 0 | 111.2 | D589 K593 E594 H595 | D589-Q591 VanDerWaalsContact C-N 3.34Å; D589-Q591 PolarHBondContact O-N 2.97Å; D589-Q591 PolarHBondContact OD1-N 3.11Å; D589-Q591 VanDerWaalsContact OD1-N 3.08Å; Q591-K593 VanDerWaalsContact C-N 3.31Å; Q591-K593 PolarHBondContact O-N 3.26Å; Q591-E594 PolarHBondContact O-N 3.46Å; Q591-H595 WeakPolarHBondContact O-CB 3.37Å; Q591-H595 PolarHBondContact O-N 3Å |
| 592 | K | 69.9 | Low | 76.1 | Confident | 88 Ų | 88 | 67 Ų | 67 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 175.6 | -171.5 | 177.8 | -178.3 | -170.6 | 0 | 111.5 | E584 D589 T596 | E584-K592 PolarHBondContact O-NZ 2.98Å; E584-K592 IonicContact OE2-NZ 3.74Å; D589-K592 HydrophobicContact CB-CB 4.01Å; D589-K592 PolarHBondContact O-N 3.11Å; D589-K592 WeakPolarHBondContact OD2-CB 3.34Å; K592-T596 WeakPolarHBondContact O-CB 3.22Å; K592-T596 PolarHBondContact O-N 3.44Å; K592-T596 PolarHBondContact O-OG1 3.2Å |
| 593 | K | 80.5 | Confident | 76 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.2 | -52.4 | 175.4 | -177.3 | 178.9 | 173.5 | -171.4 | 0 | 111.8 | D589 A590 Q591 H595 T596 I597 L800 D803 | D589-K593 PolarHBondContact O-N 3.44Å; A590-K593 PolarHBondContact O-N 2.77Å; Q591-K593 VanDerWaalsContact C-N 3.31Å; Q591-K593 PolarHBondContact O-N 3.26Å; K593-H595 PolarHBondContact O-N 2.82Å; K593-T596 WeakPolarHBondContact O-CB 3.39Å; K593-T596 PolarHBondContact O-N 2.91Å; K593-T596 VanDerWaalsContact O-N 3.16Å; K593-I597 HydrophobicContact CG-CD1 4.07Å; K593-I597 WeakPolarHBondContact O-CG1 3.27Å; K593-I597 PolarHBondContact O-N 3.44Å; K593-L800 HydrophobicContact CD-CD1 4.36Å; K593-L800 HydrophobicContact CG-CD1 3.78Å; K593-D803 WeakPolarHBondContact CE-OD2 2.97Å; K593-D803 IonicContact NZ-OD2 2.67Å; K593-D803 PolarHBondContact NZ-OD2 3.1Å |
| 594 | E | 80.3 | Confident | 76.2 | Confident | 125 Ų | 125 | 65 Ų | 65 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 178.6 | -174.1 | 179.1 | 179.9 | 0 | 0 | 111.8 | A590 Q591 T596 I597 N598 | A590-E594 PolarHBondContact O-N 3.27Å; Q591-E594 PolarHBondContact O-N 3.46Å; E594-T596 VanDerWaalsContact C-N 3.31Å; E594-T596 PolarHBondContact O-N 3.38Å; E594-I597 PolarHBondContact O-N 2.62Å; E594-N598 PolarHBondContact O-N 3.37Å; E594-N598 PolarHBondContact O-ND2 3.38Å |
| 595 | H | 74.9 | Confident | 76.6 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 174.7 | 178.6 | 59.5 | 0 | 0 | 0 | 112.2 | T146 Q591 K593 N598 V599 | T146-H595 PolarHBondContact OG1-CE1 3.48Å; T146-H595 VanDerWaalsContact OG1-CE1 3.29Å; T146-H595 PolarHBondContact OG1-NE2 2.93Å; Q591-H595 WeakPolarHBondContact O-CB 3.37Å; Q591-H595 PolarHBondContact O-N 3Å; K593-H595 PolarHBondContact O-N 2.82Å; H595-N598 PolarHBondContact O-N 3.02Å; H595-V599 WeakPolarHBondContact O-CG2 3.04Å; H595-V599 PolarHBondContact O-N 2.87Å |
| 596 | T | 74.8 | Confident | 76.6 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 178.9 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | M581 A585 K592 K593 E594 N598 V599 I600 | M581-T596 HydrophobicContact CG-CG2 3.72Å; M581-T596 HydrophobicContact SD-CG2 4.16Å; A585-T596 HydrophobicContact CB-CG2 3.55Å; A585-T596 WeakPolarHBondContact CB-OG1 3.49Å; K592-T596 WeakPolarHBondContact O-CB 3.22Å; K592-T596 PolarHBondContact O-N 3.44Å; K592-T596 PolarHBondContact O-OG1 3.2Å; K593-T596 WeakPolarHBondContact O-CB 3.39Å; K593-T596 PolarHBondContact O-N 2.91Å; K593-T596 VanDerWaalsContact O-N 3.16Å; E594-T596 VanDerWaalsContact C-N 3.31Å; E594-T596 PolarHBondContact O-N 3.38Å; T596-N598 VanDerWaalsContact C-N 3.35Å; T596-N598 PolarHBondContact O-N 3.17Å; T596-V599 PolarHBondContact O-N 3.23Å; T596-I600 HydrophobicContact CG2-CD1 3.6Å; T596-I600 HydrophobicContact CG2-CG1 4.18Å; T596-I600 WeakPolarHBondContact O-CB 3.39Å; T596-I600 VanDerWaalsContact O-CG1 3.29Å; T596-I600 WeakPolarHBondContact O-CG1 3.3Å; T596-I600 PolarHBondContact O-N 3.2Å |
| 597 | I | 83.5 | Confident | 76.7 | Confident | 14 Ų | 14 | 66.6 Ų | 66.6 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 175 | -71.4 | 166.8 | 0 | 0 | 0 | 110.6 | K593 E594 V599 I600 S601 L800 D803 L804 H807 | K593-I597 HydrophobicContact CG-CD1 4.07Å; K593-I597 WeakPolarHBondContact O-CG1 3.27Å; K593-I597 PolarHBondContact O-N 3.44Å; E594-I597 PolarHBondContact O-N 2.62Å; I597-V599 PolarHBondContact O-N 3.48Å; I597-I600 PolarHBondContact O-N 2.87Å; I597-S601 WeakPolarHBondContact O-CB 3.39Å; I597-S601 PolarHBondContact O-N 2.82Å; I597-L800 HydrophobicContact CD1-CD1 4.14Å; I597-L800 HydrophobicContact CG1-CD1 3.93Å; I597-D803 HydrophobicContact CD1-CB 3.67Å; I597-L804 HydrophobicContact CG2-CD1 3.98Å; I597-H807 HydrophobicContact CG2-CB 3.64Å |
| 598 | N | 79 | Confident | 77 | Confident | 63 Ų | 63 | 64.7 Ų | 64.7 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 178.4 | -71.4 | -27.2 | 0 | 0 | 0 | 112 | E594 H595 T596 H602 H807 | E594-N598 PolarHBondContact O-N 3.37Å; E594-N598 PolarHBondContact O-ND2 3.38Å; H595-N598 PolarHBondContact O-N 3.02Å; T596-N598 VanDerWaalsContact C-N 3.35Å; T596-N598 PolarHBondContact O-N 3.17Å; N598-H602 VanDerWaalsContact O-CB 3.31Å; N598-H602 WeakPolarHBondContact O-CB 3.17Å; N598-H602 PolarHBondContact O-N 2.92Å; N598-H807 PolarHBondContact OD1-CE1 2.71Å; N598-H807 PolarHBondContact OD1-NE2 3.12Å; N598-H807 VanDerWaalsContact OD1-NE2 3.09Å |
| 599 | V | 77.1 | Confident | 77.6 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 179.4 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | M581 H595 T596 I597 Y603 | M581-V599 HydrophobicContact CE-CG1 4.26Å; M581-V599 HydrophobicContact SD-CB 4.37Å; M581-V599 HydrophobicContact SD-CG1 3.9Å; H595-V599 WeakPolarHBondContact O-CG2 3.04Å; H595-V599 PolarHBondContact O-N 2.87Å; T596-V599 PolarHBondContact O-N 3.23Å; I597-V599 PolarHBondContact O-N 3.48Å; V599-Y603 VanDerWaalsContact O-CB 3.24Å; V599-Y603 WeakPolarHBondContact O-CB 3.41Å; V599-Y603 PolarHBondContact O-N 2.93Å |
| 600 | I | 81.1 | Confident | 77.5 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 179.2 | -66.7 | 176.3 | 0 | 0 | 0 | 110.3 | I578 M581 A582 T596 I597 H602 Y603 I604 I792 L804 | I578-I600 HydrophobicContact CG2-CD1 4.24Å; I578-I600 HydrophobicContact CG2-CG1 4.23Å; I578-I600 HydrophobicContact CG2-CG2 4.34Å; M581-I600 HydrophobicContact SD-CG1 4.49Å; A582-I600 HydrophobicContact CB-CD1 4.14Å; T596-I600 HydrophobicContact CG2-CD1 3.6Å; T596-I600 HydrophobicContact CG2-CG1 4.18Å; T596-I600 WeakPolarHBondContact O-CB 3.39Å; T596-I600 VanDerWaalsContact O-CG1 3.29Å; T596-I600 WeakPolarHBondContact O-CG1 3.3Å; T596-I600 PolarHBondContact O-N 3.2Å; I597-I600 PolarHBondContact O-N 2.87Å; I600-H602 PolarHBondContact O-N 3.2Å; I600-Y603 PolarHBondContact O-N 2.72Å; I600-I604 HydrophobicContact CG2-CD1 3.63Å; I600-I604 HydrophobicContact CG2-CG1 4.14Å; I600-I604 VanDerWaalsContact O-CG1 3.26Å; I600-I604 WeakPolarHBondContact O-CG1 2.94Å; I600-I604 PolarHBondContact O-N 2.81Å; I600-I792 HydrophobicContact CG2-CD1 3.99Å; I600-L804 HydrophobicContact CB-CD1 4.3Å; I600-L804 HydrophobicContact CG2-CD1 4.06Å; I600-L804 HydrophobicContact CG2-CD2 3.78Å |
| 601 | S | 83.5 | Confident | 77.1 | Confident | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.6 | -52.2 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | I597 Y603 I604 K605 M808 | I597-S601 WeakPolarHBondContact O-CB 3.39Å; I597-S601 PolarHBondContact O-N 2.82Å; S601-Y603 VanDerWaalsContact C-N 3.31Å; S601-Y603 PolarHBondContact O-N 2.77Å; S601-I604 PolarHBondContact O-N 3.39Å; S601-K605 WeakPolarHBondContact O-CB 3.48Å; S601-K605 WeakPolarHBondContact O-CG 3.24Å; S601-K605 PolarHBondContact O-N 2.67Å; S601-M808 WeakPolarHBondContact OG-CG 3.29Å |
| 602 | H | 77.5 | Confident | 76.8 | Confident | 128 Ų | 128 | 49.4 Ų | 49.4 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.4 | -43.6 | 177.3 | -179 | -86.9 | 0 | 0 | 0 | 111.6 | N598 I600 H606 | N598-H602 VanDerWaalsContact O-CB 3.31Å; N598-H602 WeakPolarHBondContact O-CB 3.17Å; N598-H602 PolarHBondContact O-N 2.92Å; I600-H602 PolarHBondContact O-N 3.2Å; H602-H606 VanDerWaalsContact O-CB 3.24Å; H602-H606 WeakPolarHBondContact O-CB 3.47Å; H602-H606 PolarHBondContact O-N 3.29Å |
| 603 | Y | 75.3 | Confident | 76.6 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 178.7 | 178.6 | -91 | 0 | 0 | 0 | 112.7 | G572 F573 R574 I578 V599 I600 S601 S607 | G572-Y603 PolarHBondContact O-OH 3.23Å; G572-Y603 VanDerWaalsContact O-OH 3.09Å; F573-Y603 WeakPolarHBondContact CA-OH 3.33Å; F573-Y603 AromaticContact CD1-CE1 3.94Å; F573-Y603 HydrophobicContact CD1-CE1 3.94Å; R574-Y603 PolarHBondContact N-OH 2.87Å; I578-Y603 HydrophobicContact CD1-CD1 3.65Å; I578-Y603 HydrophobicContact CD1-CE1 3.16Å; I578-Y603 HydrophobicContact CG1-CD1 4.27Å; I578-Y603 HydrophobicContact CG1-CE1 4.11Å; V599-Y603 VanDerWaalsContact O-CB 3.24Å; V599-Y603 WeakPolarHBondContact O-CB 3.41Å; V599-Y603 PolarHBondContact O-N 2.93Å; I600-Y603 PolarHBondContact O-N 2.72Å; S601-Y603 VanDerWaalsContact C-N 3.31Å; S601-Y603 PolarHBondContact O-N 2.77Å; Y603-S607 WeakPolarHBondContact O-CB 3.33Å; Y603-S607 PolarHBondContact O-N 3.1Å; Y603-S607 PolarHBondContact O-OG 3.18Å |
| 604 | I | 82.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -51.7 | 178.2 | -67.3 | 178.5 | 0 | 0 | 0 | 109.9 | I600 S601 H606 S607 I608 L788 M808 | I600-I604 HydrophobicContact CG2-CD1 3.63Å; I600-I604 HydrophobicContact CG2-CG1 4.14Å; I600-I604 VanDerWaalsContact O-CG1 3.26Å; I600-I604 WeakPolarHBondContact O-CG1 2.94Å; I600-I604 PolarHBondContact O-N 2.81Å; S601-I604 PolarHBondContact O-N 3.39Å; I604-H606 PolarHBondContact O-N 3.27Å; I604-S607 PolarHBondContact O-N 3.45Å; I604-S607 PolarHBondContact O-OG 2.95Å; I604-I608 HydrophobicContact CG2-CD1 3.51Å; I604-I608 WeakPolarHBondContact O-CB 3.5Å; I604-I608 WeakPolarHBondContact O-CD1 3.27Å; I604-I608 WeakPolarHBondContact O-CG1 3.42Å; I604-I608 PolarHBondContact O-N 3.44Å; I604-L788 HydrophobicContact CD1-CD2 3.49Å; I604-L788 VanDerWaalsContact CD1-CD2 3.49Å; I604-L788 HydrophobicContact CD1-CG 4.17Å; I604-L788 HydrophobicContact CG1-CD2 3.46Å; I604-L788 VanDerWaalsContact CG1-CD2 3.46Å; I604-M808 HydrophobicContact CB-CE 4.15Å; I604-M808 HydrophobicContact CD1-SD 4.29Å; I604-M808 HydrophobicContact CG2-CE 3.76Å; I604-M808 HydrophobicContact CG2-SD 4.49Å |
| 605 | K | 82 | Confident | 74.2 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.6 | -50 | 179.1 | -69.6 | -178.8 | -177.4 | -173.2 | 0 | 111 | S601 A609 M808 | S601-K605 WeakPolarHBondContact O-CB 3.48Å; S601-K605 WeakPolarHBondContact O-CG 3.24Å; S601-K605 PolarHBondContact O-N 2.67Å; K605-A609 VanDerWaalsContact O-CB 3.3Å; K605-A609 WeakPolarHBondContact O-CB 3Å; K605-A609 PolarHBondContact O-N 3Å; K605-M808 HydrophobicContact CG-CE 4.04Å; K605-M808 PolarHBondContact NZ-O 3.23Å |
| 606 | H | 73.9 | Confident | 73 | Confident | 96 Ų | 96 | 49 Ų | 49 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.6 | -43.8 | -178.2 | -174.6 | -87 | 0 | 0 | 0 | 113 | H602 I604 I608 A609 S610 | H602-H606 VanDerWaalsContact O-CB 3.24Å; H602-H606 WeakPolarHBondContact O-CB 3.47Å; H602-H606 PolarHBondContact O-N 3.29Å; I604-H606 PolarHBondContact O-N 3.27Å; H606-I608 VanDerWaalsContact C-N 3.34Å; H606-I608 PolarHBondContact O-N 3.06Å; H606-A609 PolarHBondContact O-N 2.75Å; H606-S610 WeakPolarHBondContact O-CB 3.26Å; H606-S610 PolarHBondContact O-N 2.87Å |
| 607 | S | 74.9 | Confident | 71.9 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | -179.4 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | F573 Y603 I604 R611 | F573-S607 VanDerWaalsContact CE1-OG 3.3Å; F573-S607 WeakPolarHBondContact CE1-OG 3.27Å; Y603-S607 WeakPolarHBondContact O-CB 3.33Å; Y603-S607 PolarHBondContact O-N 3.1Å; Y603-S607 PolarHBondContact O-OG 3.18Å; I604-S607 PolarHBondContact O-N 3.45Å; I604-S607 PolarHBondContact O-OG 2.95Å; S607-R611 WeakPolarHBondContact O-CG 3.36Å; S607-R611 PolarHBondContact O-NE 3.02Å |
| 608 | I | 78.9 | Confident | 70.6 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.3 | -43.7 | 174.7 | -66.5 | 161.5 | 0 | 0 | 0 | 111.3 | F573 I604 H606 R611 T612 L781 K782 | F573-I608 HydrophobicContact CZ-CG1 4.26Å; I604-I608 HydrophobicContact CG2-CD1 3.51Å; I604-I608 WeakPolarHBondContact O-CB 3.5Å; I604-I608 WeakPolarHBondContact O-CD1 3.27Å; I604-I608 WeakPolarHBondContact O-CG1 3.42Å; I604-I608 PolarHBondContact O-N 3.44Å; H606-I608 VanDerWaalsContact C-N 3.34Å; H606-I608 PolarHBondContact O-N 3.06Å; I608-R611 PolarHBondContact O-N 3.45Å; I608-T612 PolarHBondContact O-N 3.44Å; I608-T612 VanDerWaalsContact O-N 3.11Å; I608-T612 PolarHBondContact O-OG1 2.65Å; I608-L781 WeakPolarHBondContact CD1-O 3.24Å; I608-K782 HydrophobicContact CG2-CD 3.66Å; I608-K782 HydrophobicContact CG2-CG 4.05Å |
| 609 | A | 75.3 | Confident | 69.7 | Low | 54 Ų | 54 | 57.5 Ų | 57.5 | 45% | 0.446 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K605 H606 R611 T612 S613 | K605-A609 VanDerWaalsContact O-CB 3.3Å; K605-A609 WeakPolarHBondContact O-CB 3Å; K605-A609 PolarHBondContact O-N 3Å; H606-A609 PolarHBondContact O-N 2.75Å; A609-R611 VanDerWaalsContact C-N 3.27Å; A609-R611 PolarHBondContact O-N 3.41Å; A609-T612 PolarHBondContact O-N 3.3Å; A609-T612 VanDerWaalsContact O-N 3.11Å; A609-S613 PolarHBondContact O-N 3.08Å; A609-S613 PolarHBondContact O-OG 3.17Å |
| 610 | S | 69.8 | Low | 68.9 | Low | 43 Ų | 43 | 58 Ų | 58 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.2 | -41.3 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 112.8 | H606 | H606-S610 WeakPolarHBondContact O-CB 3.26Å; H606-S610 PolarHBondContact O-N 2.87Å |
| 611 | R | 70.3 | Confident | 68.3 | Low | 23 Ų | 23 | 68.6 Ų | 68.6 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.6 | -30.5 | -179.6 | -69.4 | 180 | -65.7 | 146 | 12.4 | 113.6 | S571 S607 I608 A609 S613 G614 D784 | S571-R611 PolarHBondContact O-NH1 2.98Å; S607-R611 WeakPolarHBondContact O-CG 3.36Å; S607-R611 PolarHBondContact O-NE 3.02Å; I608-R611 PolarHBondContact O-N 3.45Å; A609-R611 VanDerWaalsContact C-N 3.27Å; A609-R611 PolarHBondContact O-N 3.41Å; R611-S613 VanDerWaalsContact C-N 3.27Å; R611-S613 PolarHBondContact O-N 3.41Å; R611-G614 PolarHBondContact O-N 3.09Å; R611-D784 IonicContact CZ-OD2 2.93Å; R611-D784 IonicContact NH1-OD2 2.72Å; R611-D784 PolarHBondContact NH1-OD2 2.8Å; R611-D784 IonicContact NH2-OD2 3.75Å; R611-D784 PolarHBondContact NH2-OD2 3.48Å |
| 612 | T | 68.1 | Low | 67.8 | Low | 58 Ų | 58 | 70.9 Ų | 70.9 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 176.7 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | I608 A609 G614 K782 | I608-T612 PolarHBondContact O-N 3.44Å; I608-T612 VanDerWaalsContact O-N 3.11Å; I608-T612 PolarHBondContact O-OG1 2.65Å; A609-T612 PolarHBondContact O-N 3.3Å; A609-T612 VanDerWaalsContact O-N 3.11Å; T612-G614 VanDerWaalsContact C-N 3.26Å; T612-G614 PolarHBondContact O-N 3.38Å; T612-K782 VanDerWaalsContact CG2-NZ 3.35Å; T612-K782 PolarHBondContact OG1-NZ 2.88Å |
| 613 | S | 66.3 | Low | 67.5 | Low | 86 Ų | 86 | 65.9 Ų | 65.9 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7.7 | 177.7 | -55.3 | 0 | 0 | 0 | 0 | 114.5 | A609 R611 | A609-S613 PolarHBondContact O-N 3.08Å; A609-S613 PolarHBondContact O-OG 3.17Å; R611-S613 VanDerWaalsContact C-N 3.27Å; R611-S613 PolarHBondContact O-N 3.41Å |
| 614 | G | 58.1 | Low | 67.1 | Low | 32 Ų | 32 | 63.5 Ų | 63.5 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 7.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | R611 T612 | R611-G614 PolarHBondContact O-N 3.09Å; T612-G614 VanDerWaalsContact C-N 3.26Å; T612-G614 PolarHBondContact O-N 3.38Å |
| 615 | H | 52.7 | Low | 66.4 | Low | 121 Ų | 121 | 70.2 Ų | 70.2 | 56% | 0.56 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 136.6 | 175.6 | -65.6 | -70.7 | 0 | 0 | 0 | 110.9 | ||
| 616 | N | 49.1 | Very low | 66.2 | Low | 96 Ų | 96 | 69.2 Ų | 69.2 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 46 | -178.3 | -70.7 | -9.5 | 0 | 0 | 0 | 116.7 | ||
| 617 | M | 52.4 | Low | 66.5 | Low | 50 Ų | 50 | 64.7 Ų | 64.7 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | trans | -98 | 107 | 177.3 | -167.7 | 157.6 | 58.5 | 0 | 0 | 112.3 | P620 A624 K625 | M617-P620 HydrophobicContact CE-CB 3.45Å; M617-P620 VanDerWaalsContact CE-CB 3.45Å; M617-P620 HydrophobicContact CE-CG 3.81Å; M617-P620 HydrophobicContact CG-CB 4.49Å; M617-P620 HydrophobicContact CG-CG 4.32Å; M617-P620 VanDerWaalsContact SD-CA 3.53Å; M617-P620 HydrophobicContact SD-CB 4.14Å; M617-A624 HydrophobicContact CG-CB 4.15Å; M617-A624 HydrophobicContact SD-CB 3.32Å; M617-A624 WeakPolarHBondContact SD-CB 3.37Å; M617-K625 HydrophobicContact CE-CG 4.31Å | ||
| 618 | Y | 54.3 | Low | 67 | Low | 127 Ų | 127 | 68.1 Ų | 68.1 | 50% | 0.498 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -68 | -34.8 | 172.2 | -68.2 | -79.9 | 0 | 0 | 0 | 112.3 | Y570 | Y570-Y618 HydrophobicContact CD1-CD1 4.22Å; Y570-Y618 AromaticContact CD1-CD2 3.88Å; Y570-Y618 HydrophobicContact CD1-CD2 3.88Å; Y570-Y618 HydrophobicContact CD1-CE2 4.23Å; Y570-Y618 AromaticContact CD1-CG 3.88Å; Y570-Y618 HydrophobicContact CD1-CG 3.88Å; Y570-Y618 HydrophobicContact CE1-CD1 4.3Å; Y570-Y618 HydrophobicContact CE1-CE1 4.37Å; Y570-Y618 HydrophobicContact CE1-CG 4.42Å |
| 619 | F | 61.7 | Low | 67.3 | Low | 83 Ų | 83 | 68.2 Ų | 68.2 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | trans | -138.3 | 87.8 | -173.8 | -59.7 | -71.8 | 0 | 0 | 0 | 113.3 | M567 Y570 Y621 L622 | M567-F619 HydrophobicContact SD-CE2 4.47Å; Y570-F619 HydrophobicContact CD1-CE2 4.39Å; Y570-F619 HydrophobicContact CG-CE2 4.34Å; F619-Y621 VanDerWaalsContact C-N 3.33Å; F619-Y621 PolarHBondContact O-N 3.19Å; F619-L622 HydrophobicContact CB-CD1 3.89Å; F619-L622 HydrophobicContact CB-CG 4.46Å; F619-L622 HydrophobicContact CG-CD1 4.36Å | ||
| 620 | P | 60.5 | Low | 67.9 | Low | 65 Ų | 65 | 65.6 Ų | 65.6 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -59.9 | -38.7 | 179.9 | -18 | 26.5 | 0 | 0 | 0 | 114.6 | M617 L622 G623 | M617-P620 HydrophobicContact CE-CB 3.45Å; M617-P620 VanDerWaalsContact CE-CB 3.45Å; M617-P620 HydrophobicContact CE-CG 3.81Å; M617-P620 HydrophobicContact CG-CB 4.49Å; M617-P620 HydrophobicContact CG-CG 4.32Å; M617-P620 VanDerWaalsContact SD-CA 3.53Å; M617-P620 HydrophobicContact SD-CB 4.14Å; P620-L622 PolarHBondContact O-N 2.97Å; P620-G623 PolarHBondContact O-N 3.28Å |
| 621 | Y | 68.3 | Low | 68.9 | Low | 229 Ų | 229 | 63.9 Ų | 63.9 | 90% | 0.898 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68.6 | -17.1 | -171.1 | -56.1 | -74.4 | 0 | 0 | 0 | 113.8 | F619 G623 | F619-Y621 VanDerWaalsContact C-N 3.33Å; F619-Y621 PolarHBondContact O-N 3.19Å; Y621-G623 PolarHBondContact O-N 3.04Å |
| 622 | L | 72.2 | Confident | 69.9 | Low | 53 Ų | 53 | 64.5 Ų | 64.5 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -80.3 | 7.7 | 177.3 | -76 | 168.2 | 0 | 0 | 0 | 113.6 | F619 P620 Q629 N632 I633 | F619-L622 HydrophobicContact CB-CD1 3.89Å; F619-L622 HydrophobicContact CB-CG 4.46Å; F619-L622 HydrophobicContact CG-CD1 4.36Å; P620-L622 PolarHBondContact O-N 2.97Å; L622-Q629 HydrophobicContact CB-CG 4Å; L622-Q629 WeakPolarHBondContact O-CA 3.48Å; L622-N632 PolarHBondContact O-ND2 3.12Å; L622-I633 HydrophobicContact CD1-CD1 4.38Å; L622-I633 HydrophobicContact CD1-CG1 4.07Å |
| 623 | G | 70.5 | Confident | 70.9 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 28.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P620 Y621 K625 A626 G627 R628 | P620-G623 PolarHBondContact O-N 3.28Å; Y621-G623 PolarHBondContact O-N 3.04Å; G623-K625 VanDerWaalsContact C-N 3.34Å; G623-K625 PolarHBondContact O-N 3.22Å; G623-A626 WeakPolarHBondContact O-CB 3.17Å; G623-A626 PolarHBondContact O-N 2.99Å; G623-A626 VanDerWaalsContact O-N 3.08Å; G623-G627 PolarHBondContact O-N 2.84Å; G623-R628 PolarHBondContact O-N 2.96Å |
| 624 | A | 66.7 | Low | 72.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -64.2 | -35.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M617 A626 G627 Q629 | M617-A624 HydrophobicContact CG-CB 4.15Å; M617-A624 HydrophobicContact SD-CB 3.32Å; M617-A624 WeakPolarHBondContact SD-CB 3.37Å; A624-A626 PolarHBondContact O-N 3.33Å; A624-G627 PolarHBondContact O-N 3.2Å; A624-Q629 HydrophobicContact CB-CB 3.94Å; A624-Q629 HydrophobicContact CB-CG 4.32Å; A624-Q629 VanDerWaalsContact CB-OE1 3.25Å |
| 625 | K | 68.1 | Low | 73.8 | Confident | 140 Ų | 140 | 57 Ų | 57 | 61% | 0.609 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -60.1 | -33.2 | 173.5 | -66.7 | -170.5 | 178.2 | -175.5 | 0 | 112.3 | M617 G623 G627 | M617-K625 HydrophobicContact CE-CG 4.31Å; G623-K625 VanDerWaalsContact C-N 3.34Å; G623-K625 PolarHBondContact O-N 3.22Å; K625-G627 VanDerWaalsContact C-N 3.29Å |
| 626 | A | 78 | Confident | 75.8 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -82.7 | -2.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G623 A624 R628 | G623-A626 WeakPolarHBondContact O-CB 3.17Å; G623-A626 PolarHBondContact O-N 2.99Å; G623-A626 VanDerWaalsContact O-N 3.08Å; A624-A626 PolarHBondContact O-N 3.33Å; A626-R628 VanDerWaalsContact C-N 3.28Å; A626-R628 PolarHBondContact O-N 3.39Å |
| 627 | G | 79.5 | Confident | 77.9 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 34.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G623 A624 K625 P783 D784 | G623-G627 PolarHBondContact O-N 2.84Å; A624-G627 PolarHBondContact O-N 3.2Å; K625-G627 VanDerWaalsContact C-N 3.29Å; G627-P783 WeakPolarHBondContact O-CD 3.36Å; G627-D784 VanDerWaalsContact C-CG 3.41Å; G627-D784 VanDerWaalsContact O-CB 3.27Å; G627-D784 WeakPolarHBondContact O-CB 3.3Å; G627-D784 PolarHBondContact O-N 3.5Å |
| 628 | R | 85.8 | Confident | 79.9 | Confident | 85 Ų | 85 | 47 Ų | 47 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | trans | -114.8 | 6.8 | 178.8 | -76.3 | -178.1 | 172.4 | 178.2 | -2.5 | 113.2 | G623 A626 N631 N632 D746 P783 D784 | G623-R628 PolarHBondContact O-N 2.96Å; A626-R628 VanDerWaalsContact C-N 3.28Å; A626-R628 PolarHBondContact O-N 3.39Å; R628-N631 PolarHBondContact O-N 3.48Å; R628-N632 WeakPolarHBondContact O-CB 3.49Å; R628-N632 PolarHBondContact O-N 2.76Å; R628-N632 PolarHBondContact O-ND2 3.07Å; R628-D746 IonicContact NH2-OD1 3.74Å; R628-D746 PolarHBondContact NH2-OD1 3.47Å; R628-D746 IonicContact NH2-OD2 2.97Å; R628-P783 HydrophobicContact CG-CB 3.78Å; R628-P783 HydrophobicContact CG-CG 3.56Å; R628-D784 VanDerWaalsContact CA-OD1 3.27Å; R628-D784 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 629 | Q | 85.7 | Confident | 81.9 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -47.5 | -171.4 | -175.1 | -175.2 | 7.8 | 0 | 0 | 112.3 | L622 A624 N631 N632 I633 D784 | L622-Q629 HydrophobicContact CB-CG 4Å; L622-Q629 WeakPolarHBondContact O-CA 3.48Å; A624-Q629 HydrophobicContact CB-CB 3.94Å; A624-Q629 HydrophobicContact CB-CG 4.32Å; A624-Q629 VanDerWaalsContact CB-OE1 3.25Å; Q629-N631 VanDerWaalsContact C-N 3.34Å; Q629-N632 PolarHBondContact O-N 3.31Å; Q629-I633 HydrophobicContact CG-CD1 3.9Å; Q629-I633 WeakPolarHBondContact O-CB 3.26Å; Q629-I633 WeakPolarHBondContact O-CD1 3.38Å; Q629-I633 WeakPolarHBondContact O-CG1 3.32Å; Q629-I633 PolarHBondContact O-N 2.88Å; Q629-D784 PolarHBondContact N-OD1 3.47Å; Q629-D784 VanDerWaalsContact N-OD1 3.11Å; Q629-D784 PolarHBondContact N-OD2 3.05Å |
| 630 | L | 87.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 178.7 | 179.5 | 66.3 | 0 | 0 | 0 | 110.4 | W564 F573 I633 Y634 D784 L787 | W564-L630 HydrophobicContact CH2-CD1 3.74Å; W564-L630 HydrophobicContact CH2-CG 4.49Å; W564-L630 HydrophobicContact CZ3-CD1 4.11Å; F573-L630 HydrophobicContact CD2-CB 3.89Å; F573-L630 HydrophobicContact CD2-CD1 4.4Å; F573-L630 HydrophobicContact CD2-CD2 3.68Å; F573-L630 HydrophobicContact CD2-CG 4.2Å; F573-L630 HydrophobicContact CE2-CB 3.9Å; F573-L630 HydrophobicContact CE2-CD2 3.93Å; F573-L630 HydrophobicContact CG-CD2 4.17Å; L630-I633 PolarHBondContact O-N 2.93Å; L630-Y634 PolarHBondContact O-N 3.2Å; L630-D784 WeakPolarHBondContact CA-OD1 3.3Å; L630-D784 HydrophobicContact CB-CB 4.22Å; L630-D784 WeakPolarHBondContact CB-OD1 3.45Å; L630-D784 PolarHBondContact N-OD1 2.79Å; L630-D784 PolarHBondContact N-OD2 2.73Å; L630-L787 HydrophobicContact CD2-CD2 4.48Å; L630-L787 HydrophobicContact CG-CD2 4.2Å |
| 631 | N | 90.2 | Very high | 85.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 178.1 | -172.7 | 48.9 | 0 | 0 | 0 | 112.3 | R628 Q629 I633 Y634 V635 S743 D784 L787 | R628-N631 PolarHBondContact O-N 3.48Å; Q629-N631 VanDerWaalsContact C-N 3.34Å; N631-I633 PolarHBondContact O-N 2.97Å; N631-Y634 PolarHBondContact O-N 2.98Å; N631-V635 WeakPolarHBondContact O-CG2 3.29Å; N631-V635 PolarHBondContact O-N 3.27Å; N631-S743 VanDerWaalsContact ND2-CB 3.35Å; N631-S743 WeakPolarHBondContact ND2-CB 3.37Å; N631-S743 PolarHBondContact ND2-O 3.06Å; N631-S743 WeakPolarHBondContact OD1-CB 3.23Å; N631-S743 PolarHBondContact OD1-OG 3.26Å; N631-D784 PolarHBondContact N-OD1 2.68Å; N631-L787 HydrophobicContact CB-CD2 4.1Å |
| 632 | N | 91.1 | Very high | 86.5 | Confident | 37 Ų | 37 | 30.5 Ų | 30.5 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 177.4 | -71.8 | -17.4 | 0 | 0 | 0 | 112.4 | L622 R628 Q629 Y634 T636 | L622-N632 PolarHBondContact O-ND2 3.12Å; R628-N632 WeakPolarHBondContact O-CB 3.49Å; R628-N632 PolarHBondContact O-N 2.76Å; R628-N632 PolarHBondContact O-ND2 3.07Å; Q629-N632 PolarHBondContact O-N 3.31Å; N632-Y634 VanDerWaalsContact C-N 3.31Å; N632-Y634 PolarHBondContact O-N 3.26Å; N632-T636 VanDerWaalsContact O-CB 3.29Å; N632-T636 WeakPolarHBondContact O-CB 3.41Å; N632-T636 PolarHBondContact O-N 3.45Å; N632-T636 PolarHBondContact O-OG1 2.98Å |
| 633 | I | 90.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 175 | -70.4 | 165.1 | 0 | 0 | 0 | 110.5 | W564 M567 L622 Q629 L630 N631 T636 A637 | W564-I633 HydrophobicContact CE3-CG2 3.88Å; W564-I633 HydrophobicContact CZ3-CB 4.48Å; W564-I633 HydrophobicContact CZ3-CG2 3.89Å; M567-I633 HydrophobicContact CB-CD1 4.41Å; M567-I633 HydrophobicContact CB-CG1 4.5Å; M567-I633 HydrophobicContact CB-CG2 3.52Å; L622-I633 HydrophobicContact CD1-CD1 4.38Å; L622-I633 HydrophobicContact CD1-CG1 4.07Å; Q629-I633 HydrophobicContact CG-CD1 3.9Å; Q629-I633 WeakPolarHBondContact O-CB 3.26Å; Q629-I633 WeakPolarHBondContact O-CD1 3.38Å; Q629-I633 WeakPolarHBondContact O-CG1 3.32Å; Q629-I633 PolarHBondContact O-N 2.88Å; L630-I633 PolarHBondContact O-N 2.93Å; N631-I633 PolarHBondContact O-N 2.97Å; I633-T636 PolarHBondContact O-N 3.38Å; I633-A637 PolarHBondContact O-N 2.97Å |
| 634 | Y | 91.8 | Very high | 89 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.5 | -47.8 | 179.1 | -171.5 | -115.4 | 0 | 0 | 0 | 112.3 | W564 L630 N631 N632 T636 A637 K638 W739 L787 F791 | W564-Y634 HydrophobicContact CD2-CD2 4.06Å; W564-Y634 AromaticContact CE2-CD2 3.94Å; W564-Y634 AromaticContact CE3-CD2 3.86Å; W564-Y634 HydrophobicContact CE3-CD2 3.86Å; W564-Y634 AromaticContact CH2-CD2 3.45Å; W564-Y634 HydrophobicContact CH2-CD2 3.45Å; W564-Y634 VanDerWaalsContact CH2-CD2 3.45Å; W564-Y634 HydrophobicContact CH2-CE2 4.38Å; W564-Y634 HydrophobicContact CH2-CG 4Å; W564-Y634 AromaticContact CZ2-CD2 3.63Å; W564-Y634 HydrophobicContact CZ2-CD2 3.63Å; W564-Y634 HydrophobicContact CZ2-CE2 4.14Å; W564-Y634 VanDerWaalsContact CZ3-CA 3.49Å; W564-Y634 AromaticContact CZ3-CD2 3.59Å; W564-Y634 HydrophobicContact CZ3-CD2 3.59Å; W564-Y634 HydrophobicContact CZ3-CG 4.02Å; L630-Y634 PolarHBondContact O-N 3.2Å; N631-Y634 PolarHBondContact O-N 2.98Å; N632-Y634 VanDerWaalsContact C-N 3.31Å; N632-Y634 PolarHBondContact O-N 3.26Å; Y634-T636 VanDerWaalsContact C-N 3.27Å; Y634-T636 PolarHBondContact O-N 3.04Å; Y634-A637 WeakPolarHBondContact O-CB 3.27Å; Y634-A637 PolarHBondContact O-N 3.09Å; Y634-A637 VanDerWaalsContact O-N 3.09Å; Y634-K638 HydrophobicContact CE1-CG 4.47Å; Y634-K638 VanDerWaalsContact CE2-NZ 3.33Å; Y634-K638 VanDerWaalsContact CZ-CE 3.49Å; Y634-K638 WeakPolarHBondContact O-CG 3.35Å; Y634-K638 PolarHBondContact O-N 2.83Å; Y634-K638 VanDerWaalsContact OH-CE 3.31Å; Y634-K638 WeakPolarHBondContact OH-CE 3.47Å; Y634-K638 PolarHBondContact OH-NZ 2.91Å; Y634-W739 HydrophobicContact CD1-CD2 4.35Å; Y634-W739 HydrophobicContact CD1-CE3 4.2Å; Y634-W739 HydrophobicContact CD1-CZ3 4.48Å; Y634-W739 AromaticContact CE1-CD2 3.6Å; Y634-W739 HydrophobicContact CE1-CD2 3.6Å; Y634-W739 AromaticContact CE1-CE2 3.65Å; Y634-W739 AromaticContact CE1-CE3 3.74Å; Y634-W739 HydrophobicContact CE1-CE3 3.74Å; Y634-W739 HydrophobicContact CE1-CG 4.15Å; Y634-W739 AromaticContact CE1-CH2 3.97Å; Y634-W739 HydrophobicContact CE1-CH2 3.97Å; Y634-W739 AromaticContact CE1-CZ2 3.85Å; Y634-W739 HydrophobicContact CE1-CZ2 3.85Å; Y634-W739 AromaticContact CE1-CZ3 3.92Å; Y634-W739 HydrophobicContact CE1-CZ3 3.92Å; Y634-L787 HydrophobicContact CD1-CD1 4.29Å; Y634-L787 HydrophobicContact CD1-CD2 4.4Å; Y634-L787 HydrophobicContact CG-CD2 4.4Å; Y634-F791 HydrophobicContact CD1-CZ 4.2Å; Y634-F791 AromaticContact CD2-CZ 3.85Å; Y634-F791 HydrophobicContact CD2-CZ 3.85Å; Y634-F791 HydrophobicContact CE1-CE1 4.16Å; Y634-F791 HydrophobicContact CE1-CZ 4.08Å; Y634-F791 AromaticContact CE2-CE1 3.98Å; Y634-F791 HydrophobicContact CE2-CE1 3.98Å; Y634-F791 AromaticContact CE2-CZ 3.69Å; Y634-F791 HydrophobicContact CE2-CZ 3.69Å; Y634-F791 HydrophobicContact CG-CZ 4.08Å; Y634-F791 AromaticContact CZ-CE1 3.74Å; Y634-F791 AromaticContact CZ-CZ 3.81Å |
| 635 | V | 93.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 7% | 0.067 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | N631 K638 L639 F736 S743 F744 | N631-V635 WeakPolarHBondContact O-CG2 3.29Å; N631-V635 PolarHBondContact O-N 3.27Å; V635-K638 WeakPolarHBondContact O-CB 3.37Å; V635-K638 PolarHBondContact O-N 3.09Å; V635-L639 PolarHBondContact O-N 3.05Å; V635-F736 HydrophobicContact CG1-CE2 4.15Å; V635-S743 VanDerWaalsContact CG2-CB 3.46Å; V635-S743 WeakPolarHBondContact CG2-OG 3.44Å; V635-F744 HydrophobicContact CG1-CE2 4.25Å |
| 636 | T | 93.5 | Very high | 91.6 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 31% | 0.313 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.2 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | F563 N632 I633 Y634 K638 L639 L640 | F563-T636 HydrophobicContact CE1-CG2 4.04Å; F563-T636 HydrophobicContact CZ-CG2 3.95Å; N632-T636 VanDerWaalsContact O-CB 3.29Å; N632-T636 WeakPolarHBondContact O-CB 3.41Å; N632-T636 PolarHBondContact O-N 3.45Å; N632-T636 PolarHBondContact O-OG1 2.98Å; I633-T636 PolarHBondContact O-N 3.38Å; Y634-T636 VanDerWaalsContact C-N 3.27Å; Y634-T636 PolarHBondContact O-N 3.04Å; T636-K638 VanDerWaalsContact C-N 3.33Å; T636-K638 PolarHBondContact O-N 3.02Å; T636-L639 WeakPolarHBondContact O-CB 3.34Å; T636-L639 PolarHBondContact O-N 3.32Å; T636-L640 WeakPolarHBondContact O-CG 3.31Å; T636-L640 PolarHBondContact O-N 2.66Å |
| 637 | A | 93.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | F563 W564 I633 Y634 L640 F641 | F563-A637 HydrophobicContact CD1-CB 4.17Å; F563-A637 HydrophobicContact CE1-CB 4.42Å; W564-A637 HydrophobicContact CB-CB 3.93Å; W564-A637 HydrophobicContact CE3-CB 4.39Å; I633-A637 PolarHBondContact O-N 2.97Å; Y634-A637 WeakPolarHBondContact O-CB 3.27Å; Y634-A637 PolarHBondContact O-N 3.09Å; Y634-A637 VanDerWaalsContact O-N 3.09Å; A637-L640 WeakPolarHBondContact O-CB 3.46Å; A637-L640 PolarHBondContact O-N 2.67Å; A637-F641 WeakPolarHBondContact O-CD2 3.49Å; A637-F641 PolarHBondContact O-N 2.71Å |
| 638 | K | 94.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 174.6 | -65.7 | -76.6 | -178.9 | -85.6 | 0 | 112.3 | D466 Y634 V635 T636 L640 F641 M642 N735 F736 W739 | D466-K638 WeakPolarHBondContact OD1-CE 3.39Å; D466-K638 IonicContact OD1-NZ 3.65Å; D466-K638 PolarHBondContact OD1-NZ 3.43Å; D466-K638 IonicContact OD2-NZ 2.64Å; D466-K638 PolarHBondContact OD2-NZ 3Å; Y634-K638 HydrophobicContact CE1-CG 4.47Å; Y634-K638 VanDerWaalsContact CE2-NZ 3.33Å; Y634-K638 VanDerWaalsContact CZ-CE 3.49Å; Y634-K638 WeakPolarHBondContact O-CG 3.35Å; Y634-K638 PolarHBondContact O-N 2.83Å; Y634-K638 VanDerWaalsContact OH-CE 3.31Å; Y634-K638 WeakPolarHBondContact OH-CE 3.47Å; Y634-K638 PolarHBondContact OH-NZ 2.91Å; V635-K638 WeakPolarHBondContact O-CB 3.37Å; V635-K638 PolarHBondContact O-N 3.09Å; T636-K638 VanDerWaalsContact C-N 3.33Å; T636-K638 PolarHBondContact O-N 3.02Å; K638-L640 VanDerWaalsContact C-N 3.34Å; K638-L640 PolarHBondContact O-N 3.41Å; K638-F641 PolarHBondContact O-N 2.84Å; K638-M642 PolarHBondContact O-N 3.43Å; K638-M642 VanDerWaalsContact O-N 3.14Å; K638-N735 VanDerWaalsContact CD-OD1 3.23Å; K638-N735 WeakPolarHBondContact CD-OD1 3.36Å; K638-N735 VanDerWaalsContact CE-OD1 3.27Å; K638-N735 WeakPolarHBondContact CE-OD1 3.48Å; K638-F736 HydrophobicContact CB-CD2 3.9Å; K638-W739 HydrophobicContact CG-CB 4.47Å; K638-W739 HydrophobicContact CG-CG 4.48Å |
| 639 | L | 95.8 | Very high | 93.5 | Very high | 59 Ų | 59 | 27 Ų | 27 | 31% | 0.309 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 172.3 | 177.5 | 62 | 0 | 0 | 0 | 111.4 | V635 T636 F641 M642 L643 F736 | V635-L639 PolarHBondContact O-N 3.05Å; T636-L639 WeakPolarHBondContact O-CB 3.34Å; T636-L639 PolarHBondContact O-N 3.32Å; L639-F641 VanDerWaalsContact C-N 3.32Å; L639-F641 PolarHBondContact O-N 3.39Å; L639-M642 HydrophobicContact CD1-CE 3.81Å; L639-M642 PolarHBondContact O-N 3.39Å; L639-L643 HydrophobicContact CD1-CD1 4.09Å; L639-L643 HydrophobicContact CD1-CG 3.98Å; L639-L643 HydrophobicContact CD2-CD1 4.47Å; L639-L643 HydrophobicContact CG-CD1 3.91Å; L639-L643 HydrophobicContact CG-CG 4.22Å; L639-L643 WeakPolarHBondContact O-CB 3.46Å; L639-L643 WeakPolarHBondContact O-CG 3.28Å; L639-L643 PolarHBondContact O-N 2.96Å; L639-F736 HydrophobicContact CB-CD2 4.21Å; L639-F736 HydrophobicContact CB-CE2 3.62Å; L639-F736 HydrophobicContact CB-CZ 4.1Å; L639-F736 HydrophobicContact CD1-CE1 4.14Å; L639-F736 HydrophobicContact CD1-CE2 4.12Å; L639-F736 HydrophobicContact CD1-CZ 3.73Å; L639-F736 HydrophobicContact CG-CE2 4.42Å; L639-F736 HydrophobicContact CG-CZ 4.42Å |
| 640 | L | 96.7 | Very high | 93.8 | Very high | 59 Ų | 59 | 31.8 Ų | 31.8 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 177.9 | -71.2 | 174.3 | 0 | 0 | 0 | 112.5 | P560 F563 T636 A637 K638 N644 | P560-L640 HydrophobicContact CB-CB 3.98Å; P560-L640 HydrophobicContact CG-CB 4.22Å; F563-L640 HydrophobicContact CB-CD1 4.2Å; F563-L640 HydrophobicContact CD1-CD1 3.49Å; F563-L640 VanDerWaalsContact CD1-CD1 3.49Å; F563-L640 HydrophobicContact CD2-CD1 3.99Å; F563-L640 HydrophobicContact CE1-CD1 3.76Å; F563-L640 HydrophobicContact CE2-CD1 4.2Å; F563-L640 HydrophobicContact CG-CD1 3.62Å; F563-L640 HydrophobicContact CZ-CD1 4.1Å; T636-L640 WeakPolarHBondContact O-CG 3.31Å; T636-L640 PolarHBondContact O-N 2.66Å; A637-L640 WeakPolarHBondContact O-CB 3.46Å; A637-L640 PolarHBondContact O-N 2.67Å; K638-L640 VanDerWaalsContact C-N 3.34Å; K638-L640 PolarHBondContact O-N 3.41Å; L640-N644 WeakPolarHBondContact O-CB 3.29Å; L640-N644 PolarHBondContact O-N 2.95Å |
| 641 | F | 95.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 171.8 | -80.5 | -65.8 | 0 | 0 | 0 | 111.8 | N469 Y470 P560 N561 A637 K638 L639 N644 V645 | N469-F641 HydrophobicContact CB-CD1 3.4Å; N469-F641 VanDerWaalsContact CB-CD1 3.4Å; N469-F641 HydrophobicContact CB-CE1 3.5Å; N469-F641 VanDerWaalsContact CB-CE1 3.5Å; N469-F641 HydrophobicContact CB-CG 4.42Å; Y470-F641 HydrophobicContact CD1-CZ 4.4Å; P560-F641 HydrophobicContact CB-CD1 3.64Å; P560-F641 HydrophobicContact CB-CD2 3.9Å; P560-F641 HydrophobicContact CB-CE1 3.66Å; P560-F641 HydrophobicContact CB-CE2 3.92Å; P560-F641 HydrophobicContact CB-CG 3.77Å; P560-F641 HydrophobicContact CB-CZ 3.81Å; P560-F641 HydrophobicContact CG-CD1 3.81Å; P560-F641 HydrophobicContact CG-CE1 4.07Å; P560-F641 HydrophobicContact CG-CG 4.23Å; N561-F641 HydrophobicContact CB-CZ 4.04Å; A637-F641 WeakPolarHBondContact O-CD2 3.49Å; A637-F641 PolarHBondContact O-N 2.71Å; K638-F641 PolarHBondContact O-N 2.84Å; L639-F641 VanDerWaalsContact C-N 3.32Å; L639-F641 PolarHBondContact O-N 3.39Å; F641-N644 PolarHBondContact O-N 3.46Å; F641-V645 WeakPolarHBondContact O-CG2 3.32Å; F641-V645 PolarHBondContact O-N 2.8Å; F641-V645 VanDerWaalsContact O-N 3.15Å |
| 642 | M | 95.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 15% | 0.153 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 178.3 | -173.8 | -161.3 | 79.7 | 0 | 0 | 111.6 | K638 L639 N644 V645 L646 F736 | K638-M642 PolarHBondContact O-N 3.43Å; K638-M642 VanDerWaalsContact O-N 3.14Å; L639-M642 HydrophobicContact CD1-CE 3.81Å; L639-M642 PolarHBondContact O-N 3.39Å; M642-N644 VanDerWaalsContact C-N 3.32Å; M642-N644 PolarHBondContact O-N 3.01Å; M642-V645 PolarHBondContact O-N 3.31Å; M642-L646 HydrophobicContact CE-CD1 4.45Å; M642-L646 WeakPolarHBondContact O-CG 3.48Å; M642-L646 PolarHBondContact O-N 3.38Å; M642-F736 HydrophobicContact CE-CD1 4.5Å; M642-F736 HydrophobicContact CE-CE1 4.5Å; M642-F736 HydrophobicContact SD-CD1 3.57Å; M642-F736 VanDerWaalsContact SD-CD1 3.57Å; M642-F736 HydrophobicContact SD-CE1 4.1Å; M642-F736 HydrophobicContact SD-CG 4.24Å |
| 643 | L | 96.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 33.4 Ų | 33.4 | 37% | 0.366 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62 | -40.1 | 178 | -70 | 178.5 | 0 | 0 | 0 | 111.8 | L639 V645 L646 I647 | L639-L643 HydrophobicContact CD1-CD1 4.09Å; L639-L643 HydrophobicContact CD1-CG 3.98Å; L639-L643 HydrophobicContact CD2-CD1 4.47Å; L639-L643 HydrophobicContact CG-CD1 3.91Å; L639-L643 HydrophobicContact CG-CG 4.22Å; L639-L643 WeakPolarHBondContact O-CB 3.46Å; L639-L643 WeakPolarHBondContact O-CG 3.28Å; L639-L643 PolarHBondContact O-N 2.96Å; L643-V645 VanDerWaalsContact C-N 3.34Å; L643-V645 PolarHBondContact O-N 3.29Å; L643-L646 PolarHBondContact O-N 3.5Å; L643-I647 WeakPolarHBondContact O-CB 3.3Å; L643-I647 VanDerWaalsContact O-CG1 3.24Å; L643-I647 WeakPolarHBondContact O-CG1 3.17Å; L643-I647 PolarHBondContact O-N 3Å |
| 644 | N | 97.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.059 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | 177.5 | 176.9 | 55.8 | 0 | 0 | 0 | 111 | M556 F557 P560 L640 F641 M642 L646 I647 Q648 | M556-N644 WeakPolarHBondContact CB-OD1 3.45Å; M556-N644 PolarHBondContact O-ND2 3.48Å; M556-N644 PolarHBondContact O-OD1 3.05Å; F557-N644 WeakPolarHBondContact CA-ND2 3.37Å; P560-N644 HydrophobicContact CG-CB 4.28Å; L640-N644 WeakPolarHBondContact O-CB 3.29Å; L640-N644 PolarHBondContact O-N 2.95Å; F641-N644 PolarHBondContact O-N 3.46Å; M642-N644 VanDerWaalsContact C-N 3.32Å; M642-N644 PolarHBondContact O-N 3.01Å; N644-L646 VanDerWaalsContact C-N 3.3Å; N644-L646 PolarHBondContact O-N 3.14Å; N644-I647 PolarHBondContact O-N 2.93Å; N644-I647 VanDerWaalsContact O-N 3.15Å; N644-Q648 VanDerWaalsContact O-CG 3.28Å; N644-Q648 WeakPolarHBondContact O-CG 3.4Å; N644-Q648 PolarHBondContact O-N 3.3Å; N644-Q648 PolarHBondContact OD1-NE2 2.88Å |
| 645 | V | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | N469 F557 F641 M642 L643 Q648 F649 M725 V728 A729 T732 | N469-V645 WeakPolarHBondContact OD1-CG2 3.33Å; F557-V645 HydrophobicContact CE1-CG2 3.78Å; F557-V645 HydrophobicContact CZ-CG2 4.13Å; F641-V645 WeakPolarHBondContact O-CG2 3.32Å; F641-V645 PolarHBondContact O-N 2.8Å; F641-V645 VanDerWaalsContact O-N 3.15Å; M642-V645 PolarHBondContact O-N 3.31Å; L643-V645 VanDerWaalsContact C-N 3.34Å; L643-V645 PolarHBondContact O-N 3.29Å; V645-Q648 WeakPolarHBondContact O-CB 3.45Å; V645-Q648 PolarHBondContact O-N 3.35Å; V645-F649 HydrophobicContact CG1-CD2 4.47Å; V645-F649 HydrophobicContact CG1-CE2 4.36Å; V645-F649 WeakPolarHBondContact O-CD2 3.49Å; V645-F649 PolarHBondContact O-N 3.38Å; V645-M725 HydrophobicContact CG1-CE 4.07Å; V645-V728 HydrophobicContact CG2-CG1 3.8Å; V645-A729 HydrophobicContact CG1-CB 3.53Å; V645-T732 HydrophobicContact CG2-CG2 4.26Å |
| 646 | L | 94.2 | Very high | 94.3 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 45% | 0.445 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -43.2 | 175.5 | -63.3 | 176.2 | 0 | 0 | 0 | 112 | M642 L643 N644 Q648 F649 V650 | M642-L646 HydrophobicContact CE-CD1 4.45Å; M642-L646 WeakPolarHBondContact O-CG 3.48Å; M642-L646 PolarHBondContact O-N 3.38Å; L643-L646 PolarHBondContact O-N 3.5Å; N644-L646 VanDerWaalsContact C-N 3.3Å; N644-L646 PolarHBondContact O-N 3.14Å; L646-Q648 VanDerWaalsContact C-N 3.3Å; L646-Q648 PolarHBondContact O-N 2.83Å; L646-F649 WeakPolarHBondContact O-CB 3.37Å; L646-F649 PolarHBondContact O-N 3.25Å; L646-V650 PolarHBondContact O-N 3.43Å |
| 647 | I | 95.4 | Very high | 93.9 | Very high | 80 Ų | 80 | 39 Ų | 39 | 41% | 0.41 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 175.4 | -69.7 | 164.6 | 0 | 0 | 0 | 110.3 | M556 L643 N644 F649 V650 I651 | M556-I647 HydrophobicContact CE-CG2 3.78Å; L643-I647 WeakPolarHBondContact O-CB 3.3Å; L643-I647 VanDerWaalsContact O-CG1 3.24Å; L643-I647 WeakPolarHBondContact O-CG1 3.17Å; L643-I647 PolarHBondContact O-N 3Å; N644-I647 PolarHBondContact O-N 2.93Å; N644-I647 VanDerWaalsContact O-N 3.15Å; I647-F649 VanDerWaalsContact C-N 3.3Å; I647-F649 PolarHBondContact O-N 3.49Å; I647-V650 WeakPolarHBondContact O-CB 3.24Å; I647-V650 PolarHBondContact O-N 3.25Å; I647-I651 HydrophobicContact CG2-CD1 3.67Å; I647-I651 HydrophobicContact CG2-CG1 4.04Å; I647-I651 VanDerWaalsContact O-CG1 3.31Å; I647-I651 WeakPolarHBondContact O-CG1 3.18Å; I647-I651 PolarHBondContact O-N 2.89Å |
| 648 | Q | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -39.2 | 177 | -67.5 | -47.1 | -50.4 | 0 | 0 | 112.6 | Q553 M556 F557 N644 V645 L646 V650 I651 M652 M725 | Q553-Q648 VanDerWaalsContact CB-OE1 3.31Å; M556-Q648 PolarHBondContact SD-NE2 3.41Å; F557-Q648 HydrophobicContact CD2-CG 4.32Å; F557-Q648 HydrophobicContact CE2-CG 3.75Å; F557-Q648 HydrophobicContact CZ-CG 4.18Å; N644-Q648 VanDerWaalsContact O-CG 3.28Å; N644-Q648 WeakPolarHBondContact O-CG 3.4Å; N644-Q648 PolarHBondContact O-N 3.3Å; N644-Q648 PolarHBondContact OD1-NE2 2.88Å; V645-Q648 WeakPolarHBondContact O-CB 3.45Å; V645-Q648 PolarHBondContact O-N 3.35Å; L646-Q648 VanDerWaalsContact C-N 3.3Å; L646-Q648 PolarHBondContact O-N 2.83Å; Q648-V650 VanDerWaalsContact C-N 3.34Å; Q648-I651 PolarHBondContact O-N 2.89Å; Q648-M652 VanDerWaalsContact O-CB 3.26Å; Q648-M652 WeakPolarHBondContact O-CB 3.41Å; Q648-M652 PolarHBondContact O-N 3.47Å; Q648-M725 HydrophobicContact CB-CE 3.19Å; Q648-M725 HydrophobicContact CG-CE 3.67Å |
| 649 | F | 93.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 173.4 | -89.3 | -73.7 | 0 | 0 | 0 | 112 | V645 L646 I647 M652 N653 W722 M725 F726 A729 | V645-F649 HydrophobicContact CG1-CD2 4.47Å; V645-F649 HydrophobicContact CG1-CE2 4.36Å; V645-F649 WeakPolarHBondContact O-CD2 3.49Å; V645-F649 PolarHBondContact O-N 3.38Å; L646-F649 WeakPolarHBondContact O-CB 3.37Å; L646-F649 PolarHBondContact O-N 3.25Å; I647-F649 VanDerWaalsContact C-N 3.3Å; I647-F649 PolarHBondContact O-N 3.49Å; F649-M652 HydrophobicContact CD1-CE 3.89Å; F649-M652 HydrophobicContact CE1-CE 4.11Å; F649-M652 PolarHBondContact O-N 2.92Å; F649-N653 WeakPolarHBondContact O-CB 3.27Å; F649-N653 PolarHBondContact O-N 3.23Å; F649-W722 HydrophobicContact CE1-CG 4.46Å; F649-W722 AromaticContact CE1-NE1 3.84Å; F649-M725 HydrophobicContact CE1-CB 4.29Å; F649-M725 HydrophobicContact CE2-CB 3.83Å; F649-M725 HydrophobicContact CZ-CB 3.68Å; F649-F726 HydrophobicContact CZ-CB 4.07Å; F649-A729 HydrophobicContact CE2-CB 4.22Å |
| 650 | V | 92.9 | Very high | 92.1 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 177.6 | 177 | 0 | 0 | 0 | 0 | 111 | L646 I647 Q648 M652 N653 G654 | L646-V650 PolarHBondContact O-N 3.43Å; I647-V650 WeakPolarHBondContact O-CB 3.24Å; I647-V650 PolarHBondContact O-N 3.25Å; Q648-V650 VanDerWaalsContact C-N 3.34Å; V650-M652 PolarHBondContact O-N 3.43Å; V650-N653 PolarHBondContact O-N 2.89Å; V650-G654 PolarHBondContact O-N 3.24Å |
| 651 | I | 93.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 178.9 | -58.8 | 170.8 | 0 | 0 | 0 | 110 | M549 M552 M556 I647 Q648 N653 G654 F655 | M549-I651 HydrophobicContact CE-CB 4.14Å; M549-I651 HydrophobicContact CE-CG2 3.25Å; M549-I651 HydrophobicContact SD-CG2 3.91Å; M552-I651 HydrophobicContact CE-CD1 4.47Å; M552-I651 HydrophobicContact CE-CG2 3.8Å; M556-I651 HydrophobicContact CE-CD1 3.77Å; M556-I651 HydrophobicContact SD-CD1 3.53Å; M556-I651 VanDerWaalsContact SD-CD1 3.53Å; I647-I651 HydrophobicContact CG2-CD1 3.67Å; I647-I651 HydrophobicContact CG2-CG1 4.04Å; I647-I651 VanDerWaalsContact O-CG1 3.31Å; I647-I651 WeakPolarHBondContact O-CG1 3.18Å; I647-I651 PolarHBondContact O-N 2.89Å; Q648-I651 PolarHBondContact O-N 2.89Å; I651-N653 PolarHBondContact O-N 3.45Å; I651-G654 PolarHBondContact O-N 2.97Å; I651-F655 WeakPolarHBondContact O-CB 3.27Å; I651-F655 PolarHBondContact O-N 3.34Å |
| 652 | M | 93.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.7 | -174.1 | 173.7 | 60.3 | 0 | 0 | 112 | Q648 F649 V650 F655 L656 W663 Y718 W722 | Q648-M652 VanDerWaalsContact O-CB 3.26Å; Q648-M652 WeakPolarHBondContact O-CB 3.41Å; Q648-M652 PolarHBondContact O-N 3.47Å; F649-M652 HydrophobicContact CD1-CE 3.89Å; F649-M652 HydrophobicContact CE1-CE 4.11Å; F649-M652 PolarHBondContact O-N 2.92Å; V650-M652 PolarHBondContact O-N 3.43Å; M652-F655 PolarHBondContact O-N 2.95Å; M652-L656 HydrophobicContact CG-CD1 4.3Å; M652-L656 WeakPolarHBondContact O-CG 3.45Å; M652-L656 PolarHBondContact O-N 3.11Å; M652-L656 VanDerWaalsContact O-N 3.14Å; M652-W663 HydrophobicContact CE-CZ2 3.68Å; M652-W663 HydrophobicContact CG-CZ2 3.86Å; M652-W663 HydrophobicContact SD-CH2 4.26Å; M652-W663 HydrophobicContact SD-CZ2 3.69Å; M652-Y718 HydrophobicContact CG-CD1 3.92Å; M652-Y718 HydrophobicContact CG-CE1 4.03Å; M652-Y718 HydrophobicContact SD-CD1 3.92Å; M652-Y718 HydrophobicContact SD-CE1 4.42Å; M652-W722 HydrophobicContact CE-CB 4.23Å; M652-W722 HydrophobicContact CE-CG 4.29Å |
| 653 | N | 92.7 | Very high | 90.9 | Very high | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.16 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.2 | -170.6 | 80.5 | 0 | 0 | 0 | 112.1 | F649 V650 I651 G657 T658 Y660 | F649-N653 WeakPolarHBondContact O-CB 3.27Å; F649-N653 PolarHBondContact O-N 3.23Å; V650-N653 PolarHBondContact O-N 2.89Å; I651-N653 PolarHBondContact O-N 3.45Å; N653-G657 PolarHBondContact O-N 3.19Å; N653-G657 VanDerWaalsContact O-N 3.13Å; N653-T658 PolarHBondContact ND2-O 2.95Å; N653-T658 PolarHBondContact O-N 3.32Å; N653-T658 PolarHBondContact O-OG1 3.29Å; N653-T658 PolarHBondContact OD1-O 3.12Å; N653-T658 PolarHBondContact OD1-OG1 3.39Å; N653-Y660 PolarHBondContact OD1-O 2.98Å |
| 654 | G | 91.3 | Very high | 90.6 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 60% | 0.598 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | V650 I651 G657 | V650-G654 PolarHBondContact O-N 3.24Å; I651-G654 PolarHBondContact O-N 2.97Å; G654-G657 PolarHBondContact O-N 2.95Å |
| 655 | F | 92.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 21% | 0.211 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -41.2 | -179.6 | 178 | -101.9 | 0 | 0 | 0 | 112.9 | Y542 W545 V546 M549 I651 M652 G657 Y718 | Y542-F655 HydrophobicContact CD2-CE1 4.15Å; Y542-F655 HydrophobicContact CG-CE1 4.35Å; Y542-F655 VanDerWaalsContact O-CZ 3.26Å; Y542-F655 WeakPolarHBondContact O-CZ 3.27Å; W545-F655 HydrophobicContact CB-CE2 3.77Å; W545-F655 HydrophobicContact CB-CZ 3.91Å; V546-F655 HydrophobicContact CG2-CE1 4.11Å; V546-F655 HydrophobicContact CG2-CZ 4.25Å; M549-F655 HydrophobicContact CB-CD2 4.33Å; M549-F655 HydrophobicContact CB-CE1 4.2Å; M549-F655 HydrophobicContact CB-CE2 3.87Å; M549-F655 HydrophobicContact CB-CZ 3.79Å; M549-F655 HydrophobicContact CE-CB 3.99Å; M549-F655 HydrophobicContact CE-CG 4.18Å; M549-F655 HydrophobicContact CG-CD1 3.93Å; M549-F655 HydrophobicContact CG-CD2 3.99Å; M549-F655 HydrophobicContact CG-CE1 3.96Å; M549-F655 HydrophobicContact CG-CE2 4.01Å; M549-F655 HydrophobicContact CG-CG 3.94Å; M549-F655 HydrophobicContact CG-CZ 3.98Å; M549-F655 HydrophobicContact SD-CB 4.45Å; M549-F655 HydrophobicContact SD-CD2 4.15Å; M549-F655 HydrophobicContact SD-CG 4.19Å; I651-F655 WeakPolarHBondContact O-CB 3.27Å; I651-F655 PolarHBondContact O-N 3.34Å; M652-F655 PolarHBondContact O-N 2.95Å; F655-G657 VanDerWaalsContact C-N 3.32Å; F655-Y718 WeakPolarHBondContact CD1-OH 3.14Å; F655-Y718 HydrophobicContact CE1-CE2 4.43Å; F655-Y718 AromaticContact CE1-CZ 3.9Å; F655-Y718 WeakPolarHBondContact CE1-OH 3.24Å |
| 656 | L | 90.6 | Very high | 90 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -79.4 | -15.1 | 176.6 | -65.7 | 173.5 | 0 | 0 | 0 | 113 | Y542 M652 T658 W663 F683 Y718 | Y542-L656 HydrophobicContact CD2-CD2 4Å; Y542-L656 HydrophobicContact CE2-CD2 4.06Å; Y542-L656 HydrophobicContact CG-CD2 4.31Å; M652-L656 HydrophobicContact CG-CD1 4.3Å; M652-L656 WeakPolarHBondContact O-CG 3.45Å; M652-L656 PolarHBondContact O-N 3.11Å; M652-L656 VanDerWaalsContact O-N 3.14Å; L656-T658 HydrophobicContact CB-CG2 4.08Å; L656-W663 HydrophobicContact CD1-CH2 3.85Å; L656-W663 HydrophobicContact CD1-CZ2 3.48Å; L656-W663 VanDerWaalsContact CD1-CZ2 3.48Å; L656-W663 HydrophobicContact CD1-CZ3 4.46Å; L656-F683 HydrophobicContact CD1-CZ 3.72Å; L656-F683 HydrophobicContact CD2-CE1 3.62Å; L656-F683 HydrophobicContact CD2-CZ 3.67Å; L656-F683 HydrophobicContact CG-CZ 4.34Å; L656-Y718 HydrophobicContact CD1-CD1 4.03Å; L656-Y718 HydrophobicContact CD1-CG 4.23Å; L656-Y718 HydrophobicContact CD2-CD2 4.31Å; L656-Y718 HydrophobicContact CD2-CE2 4.36Å; L656-Y718 HydrophobicContact CD2-CG 4.42Å |
| 657 | G | 85.1 | Confident | 89.8 | Confident | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 30 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N653 G654 F655 | N653-G657 PolarHBondContact O-N 3.19Å; N653-G657 VanDerWaalsContact O-N 3.13Å; G654-G657 PolarHBondContact O-N 2.95Å; F655-G657 VanDerWaalsContact C-N 3.32Å |
| 658 | T | 83.7 | Confident | 89.5 | Confident | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | trans | -84.9 | 137.1 | -178 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | N653 L656 Y660 W663 | N653-T658 PolarHBondContact ND2-O 2.95Å; N653-T658 PolarHBondContact O-N 3.32Å; N653-T658 PolarHBondContact O-OG1 3.29Å; N653-T658 PolarHBondContact OD1-O 3.12Å; N653-T658 PolarHBondContact OD1-OG1 3.39Å; L656-T658 HydrophobicContact CB-CG2 4.08Å; T658-Y660 PolarHBondContact O-N 2.93Å; T658-W663 HydrophobicContact CG2-CB 4.3Å; T658-W663 HydrophobicContact CG2-CG 4.12Å; T658-W663 VanDerWaalsContact OG1-CD1 3.27Å | ||
| 659 | N | 79.1 | Confident | 89.3 | Confident | 167 Ų | 167 | 55.3 Ų | 55.3 | 89% | 0.893 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -72.6 | -10.1 | -178.1 | -69.4 | -28.9 | 0 | 0 | 0 | 114.4 | ||
| 660 | Y | 84 | Confident | 89.2 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -146.9 | 141 | -171 | 60.8 | -79.3 | 0 | 0 | 0 | 110.3 | N653 T658 W663 Q666 H682 | N653-Y660 PolarHBondContact OD1-O 2.98Å; T658-Y660 PolarHBondContact O-N 2.93Å; Y660-W663 HydrophobicContact CD2-CB 4.08Å; Y660-W663 HydrophobicContact CE2-CB 3.61Å; Y660-Q666 HydrophobicContact CE2-CB 3.61Å; Y660-Q666 HydrophobicContact CE2-CG 4.02Å; Y660-Q666 WeakPolarHBondContact OH-CG 3.11Å; Y660-H682 AromaticContact CE1-CE1 3.95Å; Y660-H682 AromaticContact CE1-NE2 3.81Å; Y660-H682 AromaticContact CZ-NE2 3.64Å; Y660-H682 PolarHBondContact OH-CE1 3.1Å; Y660-H682 PolarHBondContact OH-NE2 3.48Å |
| 661 | T | 83.8 | Confident | 88.9 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -26.5 | -169.2 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | W663 W722 | T661-W663 VanDerWaalsContact C-N 3.26Å; T661-W663 PolarHBondContact O-N 3.21Å; T661-W722 PolarHBondContact O-NE1 3.34Å |
| 662 | F | 88.6 | Confident | 88.8 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 30.3 | -178.4 | -64.6 | -85.6 | 0 | 0 | 0 | 112.9 | G664 I665 Q666 W722 | F662-G664 PolarHBondContact O-N 3.07Å; F662-I665 HydrophobicContact CB-CD1 4.46Å; F662-I665 HydrophobicContact CD1-CD1 4Å; F662-I665 PolarHBondContact O-N 3.33Å; F662-I665 VanDerWaalsContact O-N 3.12Å; F662-Q666 PolarHBondContact O-N 3.47Å; F662-W722 HydrophobicContact CB-CZ2 4.48Å; F662-W722 HydrophobicContact CD1-CH2 4.36Å; F662-W722 AromaticContact CD1-CZ2 3.82Å; F662-W722 HydrophobicContact CD1-CZ2 3.82Å |
| 663 | W | 90.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -29 | 179.4 | 61.9 | -101.7 | 0 | 0 | 0 | 113.8 | M652 L656 T658 Y660 T661 I665 Q666 I667 F683 Y718 L719 W722 | M652-W663 HydrophobicContact CE-CZ2 3.68Å; M652-W663 HydrophobicContact CG-CZ2 3.86Å; M652-W663 HydrophobicContact SD-CH2 4.26Å; M652-W663 HydrophobicContact SD-CZ2 3.69Å; L656-W663 HydrophobicContact CD1-CH2 3.85Å; L656-W663 HydrophobicContact CD1-CZ2 3.48Å; L656-W663 VanDerWaalsContact CD1-CZ2 3.48Å; L656-W663 HydrophobicContact CD1-CZ3 4.46Å; T658-W663 HydrophobicContact CG2-CB 4.3Å; T658-W663 HydrophobicContact CG2-CG 4.12Å; T658-W663 VanDerWaalsContact OG1-CD1 3.27Å; Y660-W663 HydrophobicContact CD2-CB 4.08Å; Y660-W663 HydrophobicContact CE2-CB 3.61Å; T661-W663 VanDerWaalsContact C-N 3.26Å; T661-W663 PolarHBondContact O-N 3.21Å; W663-I665 PolarHBondContact O-N 3.35Å; W663-Q666 PolarHBondContact O-N 3.22Å; W663-I667 HydrophobicContact CE3-CD1 3.63Å; W663-I667 HydrophobicContact CZ3-CD1 4.07Å; W663-I667 VanDerWaalsContact O-CG1 3.31Å; W663-I667 WeakPolarHBondContact O-CG1 3.2Å; W663-I667 PolarHBondContact O-N 3.29Å; W663-F683 HydrophobicContact CZ3-CE2 4.27Å; W663-Y718 WeakPolarHBondContact CH2-O 3.49Å; W663-L719 HydrophobicContact CZ3-CD2 4.3Å; W663-W722 AromaticContact CE2-CD1 3.72Å; W663-W722 HydrophobicContact CH2-CB 3.86Å; W663-W722 HydrophobicContact CH2-CG 4.27Å; W663-W722 HydrophobicContact CZ2-CB 4.23Å; W663-W722 AromaticContact CZ2-CD1 3.69Å; W663-W722 HydrophobicContact CZ2-CG 4.31Å; W663-W722 HydrophobicContact CZ3-CB 4.34Å |
| 664 | G | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F662 M668 | F662-G664 PolarHBondContact O-N 3.07Å; G664-M668 PolarHBondContact O-N 2.85Å |
| 665 | I | 92.1 | Very high | 88.5 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 35% | 0.349 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 176.1 | -55.6 | -179.2 | 0 | 0 | 0 | 110 | F662 W663 I667 M668 I669 W722 | F662-I665 HydrophobicContact CB-CD1 4.46Å; F662-I665 HydrophobicContact CD1-CD1 4Å; F662-I665 PolarHBondContact O-N 3.33Å; F662-I665 VanDerWaalsContact O-N 3.12Å; W663-I665 PolarHBondContact O-N 3.35Å; I665-I667 PolarHBondContact O-N 2.83Å; I665-M668 PolarHBondContact O-N 3.49Å; I665-M668 VanDerWaalsContact O-N 3.12Å; I665-I669 HydrophobicContact CG2-CD1 3.88Å; I665-I669 HydrophobicContact CG2-CG1 4.35Å; I665-I669 WeakPolarHBondContact O-CG1 3.44Å; I665-I669 PolarHBondContact O-N 2.92Å; I665-W722 HydrophobicContact CD1-CH2 3.65Å; I665-W722 HydrophobicContact CD1-CZ2 4.27Å; I665-W722 HydrophobicContact CD1-CZ3 4.45Å; I665-W722 HydrophobicContact CG1-CH2 3.25Å; I665-W722 HydrophobicContact CG1-CZ2 3.87Å; I665-W722 HydrophobicContact CG1-CZ3 3.7Å |
| 666 | Q | 89.1 | Confident | 88.2 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | -177.7 | -174.4 | 57.3 | 40.1 | 0 | 0 | 111.7 | Y660 F662 W663 M668 I669 D670 | Y660-Q666 HydrophobicContact CE2-CB 3.61Å; Y660-Q666 HydrophobicContact CE2-CG 4.02Å; Y660-Q666 WeakPolarHBondContact OH-CG 3.11Å; F662-Q666 PolarHBondContact O-N 3.47Å; W663-Q666 PolarHBondContact O-N 3.22Å; Q666-M668 VanDerWaalsContact C-N 3.28Å; Q666-M668 PolarHBondContact O-N 3.45Å; Q666-I669 WeakPolarHBondContact O-CB 3.43Å; Q666-I669 PolarHBondContact O-N 2.83Å; Q666-I669 VanDerWaalsContact O-N 3.14Å; Q666-D670 PolarHBondContact NE2-OD1 2.85Å; Q666-D670 PolarHBondContact NE2-OD2 3.37Å; Q666-D670 WeakPolarHBondContact O-CB 3.44Å; Q666-D670 VanDerWaalsContact O-CG 3.28Å; Q666-D670 PolarHBondContact O-N 2.98Å |
| 667 | I | 89.6 | Confident | 88 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 175.9 | -65.8 | 173.5 | 0 | 0 | 0 | 110.8 | W663 I665 D670 L671 H682 F683 L719 | W663-I667 HydrophobicContact CE3-CD1 3.63Å; W663-I667 HydrophobicContact CZ3-CD1 4.07Å; W663-I667 VanDerWaalsContact O-CG1 3.31Å; W663-I667 WeakPolarHBondContact O-CG1 3.2Å; W663-I667 PolarHBondContact O-N 3.29Å; I665-I667 PolarHBondContact O-N 2.83Å; I667-D670 PolarHBondContact O-N 3.33Å; I667-L671 HydrophobicContact CG2-CD1 3.96Å; I667-L671 HydrophobicContact CG2-CG 4.27Å; I667-L671 WeakPolarHBondContact O-CB 3.12Å; I667-L671 WeakPolarHBondContact O-CG 3.31Å; I667-L671 PolarHBondContact O-N 3.48Å; I667-H682 HydrophobicContact CD1-CB 4.13Å; I667-H682 HydrophobicContact CG1-CB 4.33Å; I667-F683 HydrophobicContact CD1-CD2 4.16Å; I667-F683 HydrophobicContact CD1-CE2 3.96Å; I667-L719 HydrophobicContact CB-CD2 3.79Å; I667-L719 HydrophobicContact CD1-CD2 4.07Å; I667-L719 HydrophobicContact CG2-CD1 3.86Å; I667-L719 HydrophobicContact CG2-CD2 3.67Å; I667-L719 HydrophobicContact CG2-CG 4.26Å |
| 668 | M | 89.3 | Confident | 88 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 39% | 0.394 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 175.4 | -76.5 | -65.6 | -70.3 | 0 | 0 | 112.8 | G664 I665 Q666 L671 V672 Y723 | G664-M668 PolarHBondContact O-N 2.85Å; I665-M668 PolarHBondContact O-N 3.49Å; I665-M668 VanDerWaalsContact O-N 3.12Å; Q666-M668 VanDerWaalsContact C-N 3.28Å; Q666-M668 PolarHBondContact O-N 3.45Å; M668-L671 PolarHBondContact O-N 3.36Å; M668-L671 HydrophobicContact SD-CD1 4.01Å; M668-V672 VanDerWaalsContact O-CG2 3.28Å; M668-V672 WeakPolarHBondContact O-CG2 3.45Å; M668-V672 PolarHBondContact O-N 3.48Å; M668-Y723 HydrophobicContact CG-CE2 3.72Å; M668-Y723 WeakPolarHBondContact CG-OH 3.36Å |
| 669 | I | 90.7 | Very high | 88.1 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 172.7 | -68.5 | 169.3 | 0 | 0 | 0 | 110.2 | I665 Q666 L671 V672 Q673 | I665-I669 HydrophobicContact CG2-CD1 3.88Å; I665-I669 HydrophobicContact CG2-CG1 4.35Å; I665-I669 WeakPolarHBondContact O-CG1 3.44Å; I665-I669 PolarHBondContact O-N 2.92Å; Q666-I669 WeakPolarHBondContact O-CB 3.43Å; Q666-I669 PolarHBondContact O-N 2.83Å; Q666-I669 VanDerWaalsContact O-N 3.14Å; I669-L671 VanDerWaalsContact C-N 3.34Å; I669-L671 PolarHBondContact O-N 3.25Å; I669-V672 PolarHBondContact O-N 3.3Å; I669-Q673 HydrophobicContact CG2-CG 4.36Å; I669-Q673 WeakPolarHBondContact O-CB 3.31Å; I669-Q673 VanDerWaalsContact O-CG 3.28Å; I669-Q673 WeakPolarHBondContact O-CG 3.42Å; I669-Q673 PolarHBondContact O-N 3.24Å |
| 670 | D | 89.8 | Confident | 88.3 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 178.8 | -70.5 | -23.6 | 0 | 0 | 0 | 110.9 | Q666 I667 V672 Q673 G674 K675 | Q666-D670 PolarHBondContact NE2-OD1 2.85Å; Q666-D670 PolarHBondContact NE2-OD2 3.37Å; Q666-D670 WeakPolarHBondContact O-CB 3.44Å; Q666-D670 VanDerWaalsContact O-CG 3.28Å; Q666-D670 PolarHBondContact O-N 2.98Å; I667-D670 PolarHBondContact O-N 3.33Å; D670-V672 PolarHBondContact O-N 2.78Å; D670-Q673 CarbonylContact O-C 3.53Å; D670-Q673 PolarHBondContact O-N 3.14Å; D670-G674 PolarHBondContact O-N 2.92Å; D670-K675 HydrophobicContact CB-CB 4.01Å; D670-K675 HydrophobicContact CB-CD 4.39Å; D670-K675 PolarHBondContact O-N 3.49Å; D670-K675 WeakPolarHBondContact OD1-CD 3.41Å; D670-K675 IonicContact OD1-NZ 3.48Å; D670-K675 PolarHBondContact OD1-NZ 2.99Å |
| 671 | L | 88.2 | Confident | 88.3 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 173.9 | -74.9 | 169.7 | 0 | 0 | 0 | 112.7 | I667 M668 I669 Q673 G674 L719 | I667-L671 HydrophobicContact CG2-CD1 3.96Å; I667-L671 HydrophobicContact CG2-CG 4.27Å; I667-L671 WeakPolarHBondContact O-CB 3.12Å; I667-L671 WeakPolarHBondContact O-CG 3.31Å; I667-L671 PolarHBondContact O-N 3.48Å; M668-L671 PolarHBondContact O-N 3.36Å; M668-L671 HydrophobicContact SD-CD1 4.01Å; I669-L671 VanDerWaalsContact C-N 3.34Å; I669-L671 PolarHBondContact O-N 3.25Å; L671-Q673 VanDerWaalsContact C-N 3.33Å; L671-G674 PolarHBondContact O-N 3.44Å; L671-L719 HydrophobicContact CD1-CD1 4.29Å |
| 672 | V | 91.3 | Very high | 88.5 | Confident | 127 Ų | 127 | 62.3 Ų | 62.3 | 77% | 0.77 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.7 | -33.9 | 176.3 | 170 | 0 | 0 | 0 | 0 | 111.5 | M668 I669 D670 G674 | M668-V672 VanDerWaalsContact O-CG2 3.28Å; M668-V672 WeakPolarHBondContact O-CG2 3.45Å; M668-V672 PolarHBondContact O-N 3.48Å; I669-V672 PolarHBondContact O-N 3.3Å; D670-V672 PolarHBondContact O-N 2.78Å; V672-G674 PolarHBondContact O-N 3.19Å |
| 673 | Q | 92.2 | Very high | 88.7 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -76.8 | -8.6 | 174.5 | -70.8 | 176.9 | 1.1 | 0 | 0 | 113.1 | I669 D670 L671 K675 | I669-Q673 HydrophobicContact CG2-CG 4.36Å; I669-Q673 WeakPolarHBondContact O-CB 3.31Å; I669-Q673 VanDerWaalsContact O-CG 3.28Å; I669-Q673 WeakPolarHBondContact O-CG 3.42Å; I669-Q673 PolarHBondContact O-N 3.24Å; D670-Q673 CarbonylContact O-C 3.53Å; D670-Q673 PolarHBondContact O-N 3.14Å; L671-Q673 VanDerWaalsContact C-N 3.33Å; Q673-K675 VanDerWaalsContact C-N 3.33Å; Q673-K675 HydrophobicContact CB-CG 4.42Å; Q673-K675 VanDerWaalsContact OE1-CE 3.25Å |
| 674 | G | 89.1 | Confident | 88.8 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 18.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D670 L671 V672 | D670-G674 PolarHBondContact O-N 2.92Å; L671-G674 PolarHBondContact O-N 3.44Å; V672-G674 PolarHBondContact O-N 3.19Å |
| 675 | K | 88.1 | Confident | 88.9 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | trans | -76.6 | 131.2 | 171.8 | -68.4 | 178.9 | -173.4 | 159.9 | 0 | 109.9 | D670 Q673 | D670-K675 HydrophobicContact CB-CB 4.01Å; D670-K675 HydrophobicContact CB-CD 4.39Å; D670-K675 PolarHBondContact O-N 3.49Å; D670-K675 WeakPolarHBondContact OD1-CD 3.41Å; D670-K675 IonicContact OD1-NZ 3.48Å; D670-K675 PolarHBondContact OD1-NZ 2.99Å; Q673-K675 VanDerWaalsContact C-N 3.33Å; Q673-K675 HydrophobicContact CB-CG 4.42Å; Q673-K675 VanDerWaalsContact OE1-CE 3.25Å | ||
| 676 | E | 86 | Confident | 89 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | trans | -90.2 | 170.7 | -178.3 | -65.1 | -165.5 | 177.2 | 0 | 0 | 112.5 | S678 D679 S680 | E676-S678 PolarHBondContact O-N 2.95Å; E676-D679 PolarHBondContact O-N 3.49Å; E676-S680 PolarHBondContact O-N 3.42Å; E676-S680 PolarHBondContact O-OG 3.14Å | ||
| 677 | W | 86.9 | Confident | 89.3 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -23.6 | 174.5 | 61.8 | -88.3 | 0 | 0 | 0 | 112.3 | F521 F524 D679 G681 H682 P684 R685 V686 | F521-W677 HydrophobicContact CD2-CZ3 4.32Å; F521-W677 HydrophobicContact CE2-CE3 4.26Å; F521-W677 AromaticContact CE2-CZ3 3.68Å; F521-W677 HydrophobicContact CE2-CZ3 3.68Å; F521-W677 HydrophobicContact CZ-CZ3 4.36Å; F524-W677 HydrophobicContact CE2-CH2 4.21Å; W677-D679 PolarHBondContact O-N 2.93Å; W677-G681 WeakPolarHBondContact O-CA 3.4Å; W677-G681 PolarHBondContact O-N 3.13Å; W677-H682 WeakPolarHBondContact CB-O 2.82Å; W677-P684 VanDerWaalsContact CE3-CA 3.5Å; W677-P684 HydrophobicContact CE3-CB 4.01Å; W677-P684 HydrophobicContact CZ3-CB 4.16Å; W677-R685 HydrophobicContact CD2-CB 4.12Å; W677-R685 HydrophobicContact CD2-CG 4.09Å; W677-R685 VanDerWaalsContact CE3-N 3.33Å; W677-R685 HydrophobicContact CG-CG 4.16Å; W677-R685 HydrophobicContact CH2-CB 4.39Å; W677-R685 HydrophobicContact CZ2-CB 3.93Å; W677-V686 HydrophobicContact CH2-CB 3.54Å; W677-V686 HydrophobicContact CH2-CG2 3.57Å; W677-V686 VanDerWaalsContact CH2-N 3.34Å; W677-V686 HydrophobicContact CZ2-CB 4.37Å; W677-V686 HydrophobicContact CZ2-CG2 3.91Å; W677-V686 HydrophobicContact CZ3-CB 4.22Å |
| 678 | S | 86 | Confident | 89.6 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -32.6 | 176.6 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | F521 E676 | F521-S678 WeakPolarHBondContact CZ-O 3.17Å; E676-S678 PolarHBondContact O-N 2.95Å |
| 679 | D | 84.5 | Confident | 89.8 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -94.5 | -39.4 | -174.1 | -49.6 | -28.6 | 0 | 0 | 0 | 110.6 | E676 W677 | E676-D679 PolarHBondContact O-N 3.49Å; W677-D679 PolarHBondContact O-N 2.93Å |
| 680 | S | 84 | Confident | 89.9 | Confident | 42 Ų | 42 | 51 Ų | 51 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -80.6 | -23.5 | -178.4 | 60.6 | 0 | 0 | 0 | 0 | 113.7 | E676 H682 | E676-S680 PolarHBondContact O-N 3.42Å; E676-S680 PolarHBondContact O-OG 3.14Å; S680-H682 PolarHBondContact O-N 3.1Å |
| 681 | G | 84.2 | Confident | 90.1 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | trans | 68.2 | 4.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W677 | W677-G681 WeakPolarHBondContact O-CA 3.4Å; W677-G681 PolarHBondContact O-N 3.13Å | ||
| 682 | H | 87.7 | Confident | 90.2 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 18% | 0.181 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -80 | 128.5 | 175.7 | -71.7 | -56.7 | 0 | 0 | 0 | 110.6 | Y660 I667 W677 S680 | Y660-H682 AromaticContact CE1-CE1 3.95Å; Y660-H682 AromaticContact CE1-NE2 3.81Å; Y660-H682 AromaticContact CZ-NE2 3.64Å; Y660-H682 PolarHBondContact OH-CE1 3.1Å; Y660-H682 PolarHBondContact OH-NE2 3.48Å; I667-H682 HydrophobicContact CD1-CB 4.13Å; I667-H682 HydrophobicContact CG1-CB 4.33Å; W677-H682 WeakPolarHBondContact CB-O 2.82Å; S680-H682 PolarHBondContact O-N 3.1Å |
| 683 | F | 92 | Very high | 90.2 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 47.8 | 60.6 | -179.6 | -60.2 | -85.6 | 0 | 0 | 0 | 113.7 | Y542 L656 W663 I667 R685 N711 N714 E715 Y718 | Y542-F683 HydrophobicContact CE2-CD1 4.15Å; Y542-F683 HydrophobicContact CE2-CE1 4.11Å; Y542-F683 AromaticContact CZ-CD1 3.97Å; Y542-F683 WeakPolarHBondContact OH-CD1 3.31Å; L656-F683 HydrophobicContact CD1-CZ 3.72Å; L656-F683 HydrophobicContact CD2-CE1 3.62Å; L656-F683 HydrophobicContact CD2-CZ 3.67Å; L656-F683 HydrophobicContact CG-CZ 4.34Å; W663-F683 HydrophobicContact CZ3-CE2 4.27Å; I667-F683 HydrophobicContact CD1-CD2 4.16Å; I667-F683 HydrophobicContact CD1-CE2 3.96Å; F683-R685 PolarHBondContact O-N 3.01Å; F683-N711 VanDerWaalsContact CA-ND2 3.28Å; F683-N711 WeakPolarHBondContact CA-ND2 3.48Å; F683-N711 PolarHBondContact O-ND2 2.76Å; F683-N714 HydrophobicContact CD1-CB 4.06Å; F683-N714 HydrophobicContact CE1-CB 4.13Å; F683-E715 HydrophobicContact CB-CB 3.81Å; F683-E715 HydrophobicContact CB-CG 4.11Å; F683-E715 HydrophobicContact CD1-CB 4.27Å; F683-E715 HydrophobicContact CD2-CB 4.17Å; F683-E715 HydrophobicContact CD2-CG 4.08Å; F683-E715 HydrophobicContact CG-CB 3.84Å; F683-E715 HydrophobicContact CG-CG 4.18Å; F683-Y718 AromaticContact CE1-CD2 3.98Å; F683-Y718 HydrophobicContact CE1-CD2 3.98Å; F683-Y718 HydrophobicContact CE1-CG 4.33Å; F683-Y718 HydrophobicContact CZ-CD2 4.25Å; F683-Y718 HydrophobicContact CZ-CG 4.13Å |
| 684 | P | 93 | Very high | 89.8 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | trans | -61.2 | 130.8 | -175.9 | 25.4 | -33.6 | 0 | 0 | 0 | 112.1 | F521 I540 W677 T687 N711 | F521-P684 HydrophobicContact CB-CB 3.93Å; F521-P684 HydrophobicContact CB-CG 3.86Å; F521-P684 HydrophobicContact CD1-CB 4.32Å; F521-P684 HydrophobicContact CD2-CB 3.53Å; F521-P684 HydrophobicContact CD2-CG 4.41Å; F521-P684 HydrophobicContact CE2-CB 4.16Å; F521-P684 HydrophobicContact CG-CB 3.64Å; F521-P684 HydrophobicContact CG-CG 4.06Å; I540-P684 HydrophobicContact CD1-CG 3.47Å; I540-P684 VanDerWaalsContact CD1-CG 3.47Å; W677-P684 VanDerWaalsContact CE3-CA 3.5Å; W677-P684 HydrophobicContact CE3-CB 4.01Å; W677-P684 HydrophobicContact CZ3-CB 4.16Å; P684-T687 HydrophobicContact CB-CG2 4.13Å; P684-T687 HydrophobicContact CG-CG2 4.1Å; P684-N711 WeakPolarHBondContact CD-ND2 3.33Å; P684-N711 VanDerWaalsContact N-ND2 3.15Å; P684-N711 PolarHBondContact O-ND2 2.94Å | ||
| 685 | R | 93.6 | Very high | 89.4 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -94.3 | -19.4 | -178.7 | -56.7 | -177.2 | -172.8 | 162.7 | 4.3 | 112.5 | W677 F683 V707 L708 E715 | W677-R685 HydrophobicContact CD2-CB 4.12Å; W677-R685 HydrophobicContact CD2-CG 4.09Å; W677-R685 VanDerWaalsContact CE3-N 3.33Å; W677-R685 HydrophobicContact CG-CG 4.16Å; W677-R685 HydrophobicContact CH2-CB 4.39Å; W677-R685 HydrophobicContact CZ2-CB 3.93Å; F683-R685 PolarHBondContact O-N 3.01Å; R685-V707 CarbonylContact O-C 3.58Å; R685-V707 WeakPolarHBondContact O-CA 3.26Å; R685-L708 PolarHBondContact O-N 2.8Å; R685-E715 IonicContact CZ-OE2 3.44Å; R685-E715 IonicContact NE-OE2 3.47Å; R685-E715 PolarHBondContact NE-OE2 3.49Å; R685-E715 IonicContact NH2-OE1 3.58Å; R685-E715 IonicContact NH2-OE2 2.58Å; R685-E715 PolarHBondContact NH2-OE2 2.85Å |
| 686 | V | 94.8 | Very high | 88.6 | Confident | 26 Ų | 26 | 39 Ų | 39 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.2 | 169.7 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | F521 F524 W677 Q705 C706 | F521-V686 WeakPolarHBondContact CD2-O 3.48Å; F524-V686 HydrophobicContact CZ-CB 4.34Å; F524-V686 HydrophobicContact CZ-CG1 4.24Å; W677-V686 HydrophobicContact CH2-CB 3.54Å; W677-V686 HydrophobicContact CH2-CG2 3.57Å; W677-V686 VanDerWaalsContact CH2-N 3.34Å; W677-V686 HydrophobicContact CZ2-CB 4.37Å; W677-V686 HydrophobicContact CZ2-CG2 3.91Å; W677-V686 HydrophobicContact CZ3-CB 4.22Å; V686-Q705 HydrophobicContact CG1-CG 3.37Å; V686-Q705 VanDerWaalsContact CG1-NE2 3.3Å; V686-C706 CarbonylContact C-O 3.59Å; V686-C706 WeakPolarHBondContact CA-O 3.41Å |
| 687 | T | 94.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 161.3 | -178.2 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | T519 Y520 P684 Q705 C706 | T519-T687 VanDerWaalsContact CB-OG1 3.29Å; T519-T687 WeakPolarHBondContact CB-OG1 3.36Å; T519-T687 VanDerWaalsContact OG1-CB 3.29Å; T519-T687 WeakPolarHBondContact OG1-CB 3.43Å; T519-T687 PolarHBondContact OG1-OG1 3.31Å; Y520-T687 CarbonylContact O-C 3.6Å; Y520-T687 WeakPolarHBondContact O-CA 3.4Å; Y520-T687 WeakPolarHBondContact O-CB 3.24Å; P684-T687 HydrophobicContact CB-CG2 4.13Å; P684-T687 HydrophobicContact CG-CG2 4.1Å; T687-Q705 CarbonylContact O-C 3.57Å; T687-C706 PolarHBondContact N-O 3.48Å; T687-C706 PolarHBondContact O-N 3.28Å |
| 688 | L | 95.4 | Very high | 88 | Confident | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 148.7 | 173.8 | -65 | 169.4 | 0 | 0 | 0 | 109.6 | T519 Y520 V522 I528 T703 V704 Q705 | T519-L688 CarbonylContact C-O 3.56Å; T519-L688 WeakPolarHBondContact CA-O 3.25Å; T519-L688 WeakPolarHBondContact CB-O 3.45Å; Y520-L688 HydrophobicContact CD1-CB 4.42Å; Y520-L688 VanDerWaalsContact CD1-O 3.28Å; Y520-L688 WeakPolarHBondContact CD1-O 3.35Å; Y520-L688 HydrophobicContact CD2-CB 4Å; Y520-L688 HydrophobicContact CD2-CD1 4.46Å; Y520-L688 HydrophobicContact CE1-CB 3.97Å; Y520-L688 HydrophobicContact CE2-CB 3.49Å; Y520-L688 VanDerWaalsContact CE2-CB 3.49Å; Y520-L688 HydrophobicContact CE2-CD1 3.73Å; Y520-L688 HydrophobicContact CE2-CG 4.26Å; Y520-L688 HydrophobicContact CG-CB 4.43Å; Y520-L688 VanDerWaalsContact CZ-CB 3.47Å; Y520-L688 PolarHBondContact N-O 2.96Å; Y520-L688 PolarHBondContact O-N 3.47Å; V522-L688 HydrophobicContact CB-CD1 3.88Å; V522-L688 HydrophobicContact CG2-CD1 3.79Å; I528-L688 HydrophobicContact CD1-CD1 3.89Å; I528-L688 HydrophobicContact CD1-CD2 4.4Å; I528-L688 HydrophobicContact CG1-CD1 3.78Å; I528-L688 HydrophobicContact CG2-CD1 4.23Å; L688-T703 HydrophobicContact CD2-CG2 4.49Å; L688-V704 WeakPolarHBondContact CA-O 3.04Å; L688-Q705 HydrophobicContact CD2-CB 4.05Å; L688-Q705 HydrophobicContact CD2-CG 4.45Å |
| 689 | C | 94.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 134 | 177 | 169.9 | 0 | 0 | 0 | 0 | 109.5 | C514 T519 T703 V704 | C514-C689 WeakPolarHBondContact CA-SG 3.37Å; C514-C689 HydrophobicContact CB-CB 3.63Å; C514-C689 WeakPolarHBondContact CB-SG 3.3Å; C514-C689 WeakPolarHBondContact SG-CB 3.34Å; C514-C689 CovalentContact SG-SG 2.02Å; C514-C689 PolarHBondContact SG-SG 3.42Å; T519-C689 HydrophobicContact CG2-CB 4.08Å; C689-T703 CarbonylContact O-C 3.52Å; C689-T703 WeakPolarHBondContact O-CA 3.43Å; C689-V704 HydrophobicContact CB-CG2 4.2Å; C689-V704 PolarHBondContact N-O 3.32Å; C689-V704 PolarHBondContact O-N 3.37Å |
| 690 | D | 92.6 | Very high | 88.4 | Confident | 54 Ų | 54 | 38.2 Ų | 38.2 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.1 | 169.5 | -62.1 | -21.3 | 0 | 0 | 0 | 108 | Y520 R535 H702 T703 | Y520-D690 PolarHBondContact OH-OD1 2.94Å; Y520-D690 PolarHBondContact OH-OD2 3.09Å; R535-D690 WeakPolarHBondContact CD-OD2 3.34Å; R535-D690 IonicContact CZ-OD2 3.72Å; R535-D690 IonicContact NE-OD2 3.77Å; R535-D690 VanDerWaalsContact NH1-CG 3.3Å; R535-D690 IonicContact NH1-OD1 2.9Å; R535-D690 PolarHBondContact NH1-OD1 3.39Å; R535-D690 VanDerWaalsContact NH1-OD1 3.12Å; R535-D690 IonicContact NH1-OD2 3.55Å; R535-D690 PolarHBondContact NH1-OD2 3.05Å; D690-H702 CarbonylContact C-O 3.59Å; D690-H702 WeakPolarHBondContact CA-O 3.38Å; D690-T703 WeakPolarHBondContact OD1-CB 3.11Å; D690-T703 VanDerWaalsContact OD1-CG2 3.27Å; D690-T703 WeakPolarHBondContact OD1-CG2 3.46Å; D690-T703 PolarHBondContact OD1-OG1 2.84Å |
| 691 | F | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.5 | 173 | 75.9 | -87.5 | 0 | 0 | 0 | 111.9 | W53 F502 Y509 A510 Y513 V693 H702 V704 | W53-F691 HydrophobicContact CH2-CE2 4.49Å; W53-F691 HydrophobicContact CZ3-CE2 4.11Å; F502-F691 HydrophobicContact CD2-CZ 4.43Å; F502-F691 HydrophobicContact CE2-CZ 4.01Å; Y509-F691 HydrophobicContact CE1-CD2 4.4Å; A510-F691 HydrophobicContact CB-CD1 4.35Å; A510-F691 HydrophobicContact CB-CE1 3.87Å; A510-F691 HydrophobicContact CB-CE2 4.25Å; A510-F691 HydrophobicContact CB-CZ 3.82Å; Y513-F691 HydrophobicContact CD1-CB 3.2Å; Y513-F691 HydrophobicContact CD1-CG 4.47Å; Y513-F691 HydrophobicContact CD2-CB 4.39Å; Y513-F691 VanDerWaalsContact CE1-CA 3.41Å; Y513-F691 HydrophobicContact CE1-CB 3.36Å; Y513-F691 HydrophobicContact CE2-CB 4.5Å; Y513-F691 HydrophobicContact CG-CB 3.77Å; F691-V693 HydrophobicContact CD2-CG2 3.82Å; F691-V693 HydrophobicContact CE2-CG2 3.55Å; F691-H702 HydrophobicContact CD1-CB 4Å; F691-H702 HydrophobicContact CE1-CB 3.57Å; F691-H702 HydrophobicContact CE2-CB 4.14Å; F691-H702 HydrophobicContact CG-CB 4.47Å; F691-H702 HydrophobicContact CZ-CB 3.65Å; F691-H702 PolarHBondContact N-O 3.41Å; F691-H702 PolarHBondContact O-N 3.32Å; F691-V704 HydrophobicContact CD1-CG1 4.46Å; F691-V704 HydrophobicContact CD1-CG2 3.86Å; F691-V704 HydrophobicContact CE1-CB 4.37Å; F691-V704 HydrophobicContact CE1-CG1 3.67Å; F691-V704 HydrophobicContact CE1-CG2 3.78Å |
| 692 | E | 90.6 | Very high | 89.1 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.8 | -175.6 | -55.6 | -168.5 | 167 | 0 | 0 | 110.2 | F80 Q265 V699 H700 K701 | F80-E692 HydrophobicContact CD1-CB 4.28Å; F80-E692 WeakPolarHBondContact CD1-OE2 3.38Å; F80-E692 HydrophobicContact CE1-CB 3.95Å; F80-E692 HydrophobicContact CZ-CB 4.46Å; Q265-E692 PolarHBondContact NE2-O 2.82Å; E692-V699 HydrophobicContact CB-CG1 3.99Å; E692-H700 CarbonylContact C-O 3.59Å; E692-H700 WeakPolarHBondContact CA-O 3.36Å; E692-K701 HydrophobicContact CG-CD 4.37Å; E692-K701 HydrophobicContact CG-CG 4.04Å; E692-K701 WeakPolarHBondContact OE1-CD 3.36Å; E692-K701 WeakPolarHBondContact OE1-CE 3.35Å; E692-K701 IonicContact OE1-NZ 2.84Å; E692-K701 PolarHBondContact OE1-NZ 3.37Å |
| 693 | V | 90.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.1 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | W53 Y509 F691 H700 | W53-V693 HydrophobicContact CD2-CG1 3.9Å; W53-V693 HydrophobicContact CD2-CG2 4.02Å; W53-V693 HydrophobicContact CE3-CG2 4.07Å; W53-V693 HydrophobicContact CG-CG1 3.81Å; W53-V693 HydrophobicContact CH2-CG2 4.28Å; W53-V693 HydrophobicContact CZ2-CG1 4.41Å; W53-V693 HydrophobicContact CZ2-CG2 4.26Å; W53-V693 HydrophobicContact CZ3-CG2 4.19Å; Y509-V693 HydrophobicContact CE1-CG2 4.47Å; F691-V693 HydrophobicContact CD2-CG2 3.82Å; F691-V693 HydrophobicContact CE2-CG2 3.55Å; V693-H700 PolarHBondContact N-O 3.19Å; V693-H700 PolarHBondContact O-N 2.73Å |
| 694 | R | 85.5 | Confident | 89.6 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.9 | 174.3 | 179.7 | 173.8 | -80.6 | -179.4 | -21.6 | 110.6 | L78 P79 F80 K82 V84 V699 | L78-R694 PolarHBondContact O-NH1 2.96Å; P79-R694 PolarHBondContact O-NH1 3.47Å; P79-R694 PolarHBondContact O-NH2 2.81Å; F80-R694 PolarHBondContact O-NH2 3.44Å; K82-R694 PolarHBondContact O-NH1 3.37Å; K82-R694 PolarHBondContact O-NH2 2.87Å; V84-R694 HydrophobicContact CG2-CG 4.34Å; R694-V699 HydrophobicContact CB-CG2 4.47Å; R694-V699 HydrophobicContact CG-CG2 4.42Å |
| 695 | T | 79.9 | Confident | 89.7 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | trans | -108.7 | 173.3 | 161.7 | 69 | 0 | 0 | 0 | 0 | 109.2 | A697 S698 | T695-A697 PolarHBondContact O-N 3.05Å; T695-S698 PolarHBondContact N-O 3.14Å; T695-S698 PolarHBondContact OG1-N 3.25Å; T695-S698 PolarHBondContact OG1-O 2.97Å; T695-S698 PolarHBondContact OG1-OG 3.42Å; T695-S698 VanDerWaalsContact OG1-OG 3.11Å | ||
| 696 | M | 72 | Confident | 89.8 | Confident | 108 Ų | 108 | 46.5 Ų | 46.5 | 53% | 0.532 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -54.5 | -27.5 | -174.4 | -72.3 | -70.6 | -165.7 | 0 | 0 | 115 | T263 | T263-M696 HydrophobicContact CG2-CE 4.48Å; T263-M696 VanDerWaalsContact OG1-CE 3.22Å; T263-M696 WeakPolarHBondContact OG1-CE 3.14Å |
| 697 | A | 76.1 | Confident | 89.8 | Confident | 91 Ų | 91 | 48.5 Ų | 48.5 | 75% | 0.752 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -126.3 | -13.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T695 | T695-A697 PolarHBondContact O-N 3.05Š|
| 698 | S | 84.2 | Confident | 89.7 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | trans | -146.5 | 144.8 | -175.9 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | T695 H700 | T695-S698 PolarHBondContact N-O 3.14Å; T695-S698 PolarHBondContact OG1-N 3.25Å; T695-S698 PolarHBondContact OG1-O 2.97Å; T695-S698 PolarHBondContact OG1-OG 3.42Å; T695-S698 VanDerWaalsContact OG1-OG 3.11Å; S698-H700 PolarHBondContact OG-NE2 3.22Å | ||
| 699 | V | 87.5 | Confident | 89.6 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.9 | 170.3 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | F80 E692 R694 | F80-V699 HydrophobicContact CD1-CG1 4.45Å; E692-V699 HydrophobicContact CB-CG1 3.99Å; R694-V699 HydrophobicContact CB-CG2 4.47Å; R694-V699 HydrophobicContact CG-CG2 4.42Å |
| 700 | H | 90 | Very high | 89.4 | Confident | 84 Ų | 84 | 49.9 Ų | 49.9 | 39% | 0.389 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.9 | 176.4 | -62.1 | -77.9 | 0 | 0 | 0 | 109.6 | E692 V693 S698 | E692-H700 CarbonylContact C-O 3.59Å; E692-H700 WeakPolarHBondContact CA-O 3.36Å; V693-H700 PolarHBondContact N-O 3.19Å; V693-H700 PolarHBondContact O-N 2.73Å; S698-H700 PolarHBondContact OG-NE2 3.22Å |
| 701 | K | 90.7 | Very high | 89.3 | Confident | 154 Ų | 154 | 47.3 Ų | 47.3 | 67% | 0.67 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.1 | 175.7 | -51.7 | -163.1 | -176.4 | -146.9 | 0 | 109.4 | E692 | E692-K701 HydrophobicContact CG-CD 4.37Å; E692-K701 HydrophobicContact CG-CG 4.04Å; E692-K701 WeakPolarHBondContact OE1-CD 3.36Å; E692-K701 WeakPolarHBondContact OE1-CE 3.35Å; E692-K701 IonicContact OE1-NZ 2.84Å; E692-K701 PolarHBondContact OE1-NZ 3.37Å |
| 702 | H | 93.3 | Very high | 89.3 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.6 | 178.3 | -66.7 | -67.3 | 0 | 0 | 0 | 109.4 | F502 D690 F691 | F502-H702 AromaticContact CZ-CE1 3.93Å; F502-H702 AromaticContact CZ-NE2 3.84Å; D690-H702 CarbonylContact C-O 3.59Å; D690-H702 WeakPolarHBondContact CA-O 3.38Å; F691-H702 HydrophobicContact CD1-CB 4Å; F691-H702 HydrophobicContact CE1-CB 3.57Å; F691-H702 HydrophobicContact CE2-CB 4.14Å; F691-H702 HydrophobicContact CG-CB 4.47Å; F691-H702 HydrophobicContact CZ-CB 3.65Å; F691-H702 PolarHBondContact N-O 3.41Å; F691-H702 PolarHBondContact O-N 3.32Å |
| 703 | T | 93.8 | Very high | 89.3 | Confident | 62 Ų | 62 | 54 Ų | 54 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.4 | 167.9 | -61.2 | 0 | 0 | 0 | 0 | 107.9 | I528 R535 L688 C689 D690 | I528-T703 HydrophobicContact CD1-CG2 4.32Å; R535-T703 PolarHBondContact NH1-OG1 3.09Å; L688-T703 HydrophobicContact CD2-CG2 4.49Å; C689-T703 CarbonylContact O-C 3.52Å; C689-T703 WeakPolarHBondContact O-CA 3.43Å; D690-T703 WeakPolarHBondContact OD1-CB 3.11Å; D690-T703 VanDerWaalsContact OD1-CG2 3.27Å; D690-T703 WeakPolarHBondContact OD1-CG2 3.46Å; D690-T703 PolarHBondContact OD1-OG1 2.84Å |
| 704 | V | 95.2 | Very high | 89.3 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.9 | 178.7 | -68.6 | 0 | 0 | 0 | 0 | 111 | C496 V498 L688 C689 F691 | C496-V704 HydrophobicContact CB-CG2 4.39Å; V498-V704 HydrophobicContact CG1-CG1 4.3Å; L688-V704 WeakPolarHBondContact CA-O 3.04Å; C689-V704 HydrophobicContact CB-CG2 4.2Å; C689-V704 PolarHBondContact N-O 3.32Å; C689-V704 PolarHBondContact O-N 3.37Å; F691-V704 HydrophobicContact CD1-CG1 4.46Å; F691-V704 HydrophobicContact CD1-CG2 3.86Å; F691-V704 HydrophobicContact CE1-CB 4.37Å; F691-V704 HydrophobicContact CE1-CG1 3.67Å; F691-V704 HydrophobicContact CE1-CG2 3.78Å |
| 705 | Q | 95.4 | Very high | 89.7 | Confident | 84 Ų | 84 | 53.2 Ų | 53.2 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 128.2 | 176 | -178.9 | -179.8 | -39.4 | 0 | 0 | 109.1 | C496 W497 V686 T687 L688 | C496-Q705 CarbonylContact C-O 3.51Å; W497-Q705 HydrophobicContact CB-CB 4.45Å; W497-Q705 WeakPolarHBondContact CB-O 3.32Å; W497-Q705 PolarHBondContact N-O 2.92Å; V686-Q705 HydrophobicContact CG1-CG 3.37Å; V686-Q705 VanDerWaalsContact CG1-NE2 3.3Å; T687-Q705 CarbonylContact O-C 3.57Å; L688-Q705 HydrophobicContact CD2-CB 4.05Å; L688-Q705 HydrophobicContact CD2-CG 4.45Å |
| 706 | C | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.2 | -177.1 | -55.4 | 0 | 0 | 0 | 0 | 112 | I494 Q495 C496 V686 T687 | I494-C706 HydrophobicContact CD1-CB 3.68Å; I494-C706 HydrophobicContact CG1-CB 3.76Å; Q495-C706 CarbonylContact O-C 3.56Å; Q495-C706 WeakPolarHBondContact O-CA 3.4Å; C496-C706 HydrophobicContact CB-CB 4.06Å; C496-C706 WeakPolarHBondContact CB-SG 3.4Å; C496-C706 WeakPolarHBondContact SG-CB 3.12Å; C496-C706 CovalentContact SG-SG 2.04Å; C496-C706 PolarHBondContact SG-SG 3.33Å; V686-C706 CarbonylContact C-O 3.59Å; V686-C706 WeakPolarHBondContact CA-O 3.41Å; T687-C706 PolarHBondContact N-O 3.48Å; T687-C706 PolarHBondContact O-N 3.28Å |
| 707 | V | 95.1 | Very high | 91.3 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 117.1 | 169.8 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | I494 Q495 R685 M709 | I494-V707 WeakPolarHBondContact CA-O 3.12Å; Q495-V707 PolarHBondContact N-O 3.15Å; Q495-V707 PolarHBondContact O-N 3.41Å; R685-V707 CarbonylContact O-C 3.58Å; R685-V707 WeakPolarHBondContact O-CA 3.26Å; V707-M709 HydrophobicContact CG1-CG 4.2Å; V707-M709 PolarHBondContact O-N 3.47Å |
| 708 | L | 93.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -96.6 | 76.7 | -179.1 | -169.5 | 65.8 | 0 | 0 | 0 | 110.1 | I494 Y543 R685 I710 N711 | I494-L708 HydrophobicContact CB-CD1 4.31Å; I494-L708 HydrophobicContact CD1-CD1 4.23Å; I494-L708 HydrophobicContact CG1-CD1 4.25Å; Y543-L708 HydrophobicContact CD1-CD1 4.44Å; Y543-L708 HydrophobicContact CD1-CD2 3.5Å; Y543-L708 VanDerWaalsContact CD1-CD2 3.5Å; Y543-L708 HydrophobicContact CD2-CD1 4.02Å; Y543-L708 HydrophobicContact CD2-CD2 4.45Å; Y543-L708 HydrophobicContact CE1-CD1 4.43Å; Y543-L708 HydrophobicContact CE1-CD2 3.83Å; Y543-L708 HydrophobicContact CE2-CD1 4.06Å; Y543-L708 HydrophobicContact CG-CD1 4.23Å; Y543-L708 HydrophobicContact CG-CD2 3.84Å; R685-L708 PolarHBondContact O-N 2.8Å; L708-I710 HydrophobicContact CD1-CG2 3.63Å; L708-I710 HydrophobicContact CG-CG2 3.79Å; L708-I710 PolarHBondContact O-N 3.38Å; L708-N711 HydrophobicContact CB-CB 4.42Å; L708-N711 HydrophobicContact CD2-CB 3.88Å; L708-N711 HydrophobicContact CG-CB 4.01Å; L708-N711 WeakPolarHBondContact O-CB 3.36Å; L708-N711 PolarHBondContact O-N 3.15Å | ||
| 709 | M | 91.6 | Very high | 92.6 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 25% | 0.251 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -34.3 | -176.8 | -68.7 | -178.3 | -79.8 | 0 | 0 | 113.3 | Q492 P493 Q495 V707 N711 M712 | Q492-M709 HydrophobicContact CB-CE 4.48Å; Q492-M709 VanDerWaalsContact O-CE 3.27Å; Q492-M709 WeakPolarHBondContact O-CE 3.36Å; P493-M709 PolarHBondContact O-N 2.99Å; Q495-M709 HydrophobicContact CB-CE 4.47Å; Q495-M709 HydrophobicContact CG-CE 3.8Å; V707-M709 HydrophobicContact CG1-CG 4.2Å; V707-M709 PolarHBondContact O-N 3.47Å; M709-N711 PolarHBondContact O-N 2.74Å; M709-M712 WeakPolarHBondContact O-CB 3.31Å; M709-M712 PolarHBondContact O-N 2.85Å |
| 710 | I | 91.2 | Very high | 93 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -29.1 | 177.1 | -167.7 | 164.5 | 0 | 0 | 0 | 112.1 | V484 Q488 P493 Y543 L708 M712 F713 N714 | V484-I710 HydrophobicContact CG1-CD1 4.08Å; V484-I710 HydrophobicContact CG1-CG1 4.4Å; Q488-I710 HydrophobicContact CB-CD1 4.05Å; Q488-I710 HydrophobicContact CG-CD1 4.28Å; P493-I710 HydrophobicContact CB-CB 4.45Å; P493-I710 PolarHBondContact O-N 3.06Å; Y543-I710 HydrophobicContact CD2-CG2 4.33Å; Y543-I710 HydrophobicContact CG-CG2 4.46Å; L708-I710 HydrophobicContact CD1-CG2 3.63Å; L708-I710 HydrophobicContact CG-CG2 3.79Å; L708-I710 PolarHBondContact O-N 3.38Å; I710-M712 VanDerWaalsContact C-N 3.33Å; I710-M712 PolarHBondContact O-N 3.46Å; I710-F713 PolarHBondContact O-N 3.45Å; I710-N714 VanDerWaalsContact O-CG 3.22Å; I710-N714 PolarHBondContact O-N 3.42Å; I710-N714 PolarHBondContact O-ND2 3.26Å; I710-N714 PolarHBondContact O-OD1 3.46Å |
| 711 | N | 91.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.1 | -25.8 | -177.7 | -137.7 | 18.1 | 0 | 0 | 0 | 113.5 | Y542 F683 P684 L708 M709 F713 N714 E715 | Y542-N711 WeakPolarHBondContact CE2-OD1 3.39Å; Y542-N711 PolarHBondContact OH-ND2 3.47Å; Y542-N711 PolarHBondContact OH-OD1 2.91Å; F683-N711 VanDerWaalsContact CA-ND2 3.28Å; F683-N711 WeakPolarHBondContact CA-ND2 3.48Å; F683-N711 PolarHBondContact O-ND2 2.76Å; P684-N711 WeakPolarHBondContact CD-ND2 3.33Å; P684-N711 VanDerWaalsContact N-ND2 3.15Å; P684-N711 PolarHBondContact O-ND2 2.94Å; L708-N711 HydrophobicContact CB-CB 4.42Å; L708-N711 HydrophobicContact CD2-CB 3.88Å; L708-N711 HydrophobicContact CG-CB 4.01Å; L708-N711 WeakPolarHBondContact O-CB 3.36Å; L708-N711 PolarHBondContact O-N 3.15Å; M709-N711 PolarHBondContact O-N 2.74Å; N711-F713 VanDerWaalsContact C-N 3.3Å; N711-F713 PolarHBondContact O-N 3.47Å; N711-N714 PolarHBondContact O-N 2.87Å; N711-N714 PolarHBondContact OD1-ND2 3.37Å; N711-E715 WeakPolarHBondContact O-CB 3.49Å; N711-E715 PolarHBondContact O-N 3.39Å |
| 712 | M | 90.9 | Very high | 93.4 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 45% | 0.453 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 169.7 | 178.9 | -177.6 | -85.1 | 0 | 0 | 110.9 | M709 I710 | M709-M712 WeakPolarHBondContact O-CB 3.31Å; M709-M712 PolarHBondContact O-N 2.85Å; I710-M712 VanDerWaalsContact C-N 3.33Å; I710-M712 PolarHBondContact O-N 3.46Å |
| 713 | F | 90.3 | Very high | 93.5 | Very high | 88 Ų | 88 | 37.4 Ų | 37.4 | 39% | 0.386 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.1 | -46.4 | 174.2 | -67.7 | -79.8 | 0 | 0 | 0 | 111.1 | K487 I710 N711 E715 K716 I717 | K487-F713 HydrophobicContact CG-CE2 4.43Å; I710-F713 PolarHBondContact O-N 3.45Å; N711-F713 VanDerWaalsContact C-N 3.3Å; N711-F713 PolarHBondContact O-N 3.47Å; F713-E715 VanDerWaalsContact C-N 3.32Å; F713-E715 PolarHBondContact O-N 3.48Å; F713-K716 PolarHBondContact O-N 3.36Å; F713-K716 VanDerWaalsContact O-N 3.13Å; F713-I717 HydrophobicContact CB-CD1 4.29Å; F713-I717 WeakPolarHBondContact O-CB 3.34Å; F713-I717 WeakPolarHBondContact O-CG1 3.37Å; F713-I717 PolarHBondContact O-N 2.99Å |
| 714 | N | 92.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57 | -44.7 | -179.7 | -64.6 | -24.1 | 0 | 0 | 0 | 111.9 | F683 I710 N711 K716 I717 Y718 | F683-N714 HydrophobicContact CD1-CB 4.06Å; F683-N714 HydrophobicContact CE1-CB 4.13Å; I710-N714 VanDerWaalsContact O-CG 3.22Å; I710-N714 PolarHBondContact O-N 3.42Å; I710-N714 PolarHBondContact O-ND2 3.26Å; I710-N714 PolarHBondContact O-OD1 3.46Å; N711-N714 PolarHBondContact O-N 2.87Å; N711-N714 PolarHBondContact OD1-ND2 3.37Å; N714-K716 VanDerWaalsContact C-N 3.33Å; N714-K716 PolarHBondContact O-N 2.91Å; N714-I717 PolarHBondContact O-N 3.36Å; N714-Y718 HydrophobicContact CB-CD2 4.26Å; N714-Y718 WeakPolarHBondContact O-CB 3.42Å; N714-Y718 VanDerWaalsContact O-CD2 3.3Å; N714-Y718 WeakPolarHBondContact O-CD2 3.48Å; N714-Y718 PolarHBondContact O-N 2.89Å |
| 715 | E | 92.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -51.8 | -51.3 | 175.4 | -173.6 | -159.3 | 133.7 | 0 | 0 | 111.1 | F683 R685 N711 F713 L719 | F683-E715 HydrophobicContact CB-CB 3.81Å; F683-E715 HydrophobicContact CB-CG 4.11Å; F683-E715 HydrophobicContact CD1-CB 4.27Å; F683-E715 HydrophobicContact CD2-CB 4.17Å; F683-E715 HydrophobicContact CD2-CG 4.08Å; F683-E715 HydrophobicContact CG-CB 3.84Å; F683-E715 HydrophobicContact CG-CG 4.18Å; R685-E715 IonicContact CZ-OE2 3.44Å; R685-E715 IonicContact NE-OE2 3.47Å; R685-E715 PolarHBondContact NE-OE2 3.49Å; R685-E715 IonicContact NH2-OE1 3.58Å; R685-E715 IonicContact NH2-OE2 2.58Å; R685-E715 PolarHBondContact NH2-OE2 2.85Å; N711-E715 WeakPolarHBondContact O-CB 3.49Å; N711-E715 PolarHBondContact O-N 3.39Å; F713-E715 VanDerWaalsContact C-N 3.32Å; F713-E715 PolarHBondContact O-N 3.48Å; E715-L719 HydrophobicContact CG-CD1 4.11Å; E715-L719 VanDerWaalsContact O-CB 3.28Å; E715-L719 WeakPolarHBondContact O-CB 3.33Å; E715-L719 WeakPolarHBondContact O-CG 3.15Å; E715-L719 PolarHBondContact O-N 2.97Å |
| 716 | K | 92.5 | Very high | 93.6 | Very high | 103 Ų | 103 | 37 Ų | 37 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.3 | -41.2 | -178.1 | -56.6 | -45.9 | -178.9 | -167.2 | 0 | 112.6 | F713 N714 F720 | F713-K716 PolarHBondContact O-N 3.36Å; F713-K716 VanDerWaalsContact O-N 3.13Å; N714-K716 VanDerWaalsContact C-N 3.33Å; N714-K716 PolarHBondContact O-N 2.91Å; K716-F720 WeakPolarHBondContact O-CB 3.34Å; K716-F720 PolarHBondContact O-N 3.05Å |
| 717 | I | 93.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -52.5 | 177.9 | -69.5 | 173.3 | 0 | 0 | 0 | 109.8 | L480 V484 L550 F713 N714 F720 L721 | L480-I717 HydrophobicContact CD1-CG2 4.19Å; L480-I717 HydrophobicContact CD2-CD1 4.49Å; L480-I717 HydrophobicContact CD2-CG1 4.13Å; L480-I717 HydrophobicContact CD2-CG2 4.38Å; V484-I717 HydrophobicContact CG2-CD1 3.26Å; L550-I717 HydrophobicContact CD1-CG2 4.34Å; L550-I717 HydrophobicContact CD2-CG2 4.48Å; F713-I717 HydrophobicContact CB-CD1 4.29Å; F713-I717 WeakPolarHBondContact O-CB 3.34Å; F713-I717 WeakPolarHBondContact O-CG1 3.37Å; F713-I717 PolarHBondContact O-N 2.99Å; N714-I717 PolarHBondContact O-N 3.36Å; I717-F720 PolarHBondContact O-N 3.19Å; I717-L721 HydrophobicContact CG2-CD1 3.88Å; I717-L721 HydrophobicContact CG2-CG 4.44Å; I717-L721 WeakPolarHBondContact O-CB 3.37Å; I717-L721 VanDerWaalsContact O-CG 3.27Å; I717-L721 WeakPolarHBondContact O-CG 3.37Å; I717-L721 PolarHBondContact O-N 2.99Å |
| 718 | Y | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.9 | -35 | -177.1 | -84.3 | -76 | 0 | 0 | 0 | 112.4 | V546 M652 F655 L656 W663 F683 N714 L721 W722 | V546-Y718 HydrophobicContact CB-CE2 4.49Å; V546-Y718 HydrophobicContact CG1-CE2 3.81Å; V546-Y718 HydrophobicContact CG2-CE2 3.92Å; M652-Y718 HydrophobicContact CG-CD1 3.92Å; M652-Y718 HydrophobicContact CG-CE1 4.03Å; M652-Y718 HydrophobicContact SD-CD1 3.92Å; M652-Y718 HydrophobicContact SD-CE1 4.42Å; F655-Y718 WeakPolarHBondContact CD1-OH 3.14Å; F655-Y718 HydrophobicContact CE1-CE2 4.43Å; F655-Y718 AromaticContact CE1-CZ 3.9Å; F655-Y718 WeakPolarHBondContact CE1-OH 3.24Å; L656-Y718 HydrophobicContact CD1-CD1 4.03Å; L656-Y718 HydrophobicContact CD1-CG 4.23Å; L656-Y718 HydrophobicContact CD2-CD2 4.31Å; L656-Y718 HydrophobicContact CD2-CE2 4.36Å; L656-Y718 HydrophobicContact CD2-CG 4.42Å; W663-Y718 WeakPolarHBondContact CH2-O 3.49Å; F683-Y718 AromaticContact CE1-CD2 3.98Å; F683-Y718 HydrophobicContact CE1-CD2 3.98Å; F683-Y718 HydrophobicContact CE1-CG 4.33Å; F683-Y718 HydrophobicContact CZ-CD2 4.25Å; F683-Y718 HydrophobicContact CZ-CG 4.13Å; N714-Y718 HydrophobicContact CB-CD2 4.26Å; N714-Y718 WeakPolarHBondContact O-CB 3.42Å; N714-Y718 VanDerWaalsContact O-CD2 3.3Å; N714-Y718 WeakPolarHBondContact O-CD2 3.48Å; N714-Y718 PolarHBondContact O-N 2.89Å; Y718-L721 PolarHBondContact O-N 3.39Å; Y718-W722 WeakPolarHBondContact O-CB 3.44Å; Y718-W722 PolarHBondContact O-N 2.69Å |
| 719 | L | 93.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -50.5 | 170.5 | -77.4 | 172.3 | 0 | 0 | 0 | 111.7 | W663 I667 L671 E715 L721 W722 Y723 | W663-L719 HydrophobicContact CZ3-CD2 4.3Å; I667-L719 HydrophobicContact CB-CD2 3.79Å; I667-L719 HydrophobicContact CD1-CD2 4.07Å; I667-L719 HydrophobicContact CG2-CD1 3.86Å; I667-L719 HydrophobicContact CG2-CD2 3.67Å; I667-L719 HydrophobicContact CG2-CG 4.26Å; L671-L719 HydrophobicContact CD1-CD1 4.29Å; E715-L719 HydrophobicContact CG-CD1 4.11Å; E715-L719 VanDerWaalsContact O-CB 3.28Å; E715-L719 WeakPolarHBondContact O-CB 3.33Å; E715-L719 WeakPolarHBondContact O-CG 3.15Å; E715-L719 PolarHBondContact O-N 2.97Å; L719-L721 VanDerWaalsContact C-N 3.33Å; L719-L721 PolarHBondContact O-N 3.33Å; L719-W722 PolarHBondContact O-N 3.35Å; L719-Y723 VanDerWaalsContact O-CD2 3.28Å; L719-Y723 WeakPolarHBondContact O-CD2 3.43Å; L719-Y723 PolarHBondContact O-N 3.12Å |
| 720 | F | 95.5 | Very high | 93.9 | Very high | 93 Ų | 93 | 39.9 Ų | 39.9 | 41% | 0.408 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.9 | -47 | 176.1 | 165.8 | -100 | 0 | 0 | 0 | 111.6 | I476 L480 K716 I717 W722 Y723 W724 | I476-F720 HydrophobicContact CG2-CE1 3.62Å; I476-F720 HydrophobicContact CG2-CZ 4.22Å; L480-F720 HydrophobicContact CD1-CD1 4.33Å; L480-F720 HydrophobicContact CD1-CE1 4.35Å; K716-F720 WeakPolarHBondContact O-CB 3.34Å; K716-F720 PolarHBondContact O-N 3.05Å; I717-F720 PolarHBondContact O-N 3.19Å; F720-W722 VanDerWaalsContact C-N 3.33Å; F720-W722 PolarHBondContact O-N 2.74Å; F720-Y723 PolarHBondContact O-N 3.12Å; F720-W724 HydrophobicContact CZ-CB 4.38Å; F720-W724 HydrophobicContact CZ-CD2 4.48Å; F720-W724 HydrophobicContact CZ-CE3 4.25Å; F720-W724 WeakPolarHBondContact O-CB 3.34Å; F720-W724 PolarHBondContact O-N 3.4Å |
| 721 | L | 95.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 178.5 | -72.1 | 175.5 | 0 | 0 | 0 | 111.8 | I476 L477 L480 L550 I717 Y718 L719 Y723 W724 M725 | I476-L721 HydrophobicContact CG2-CD2 4.39Å; L477-L721 HydrophobicContact CD2-CD1 3.98Å; L477-L721 HydrophobicContact CD2-CD2 3.65Å; L477-L721 HydrophobicContact CD2-CG 4.49Å; L477-L721 HydrophobicContact CG-CD2 4.44Å; L480-L721 HydrophobicContact CD1-CD1 4.33Å; L480-L721 HydrophobicContact CD1-CD2 3.81Å; L480-L721 HydrophobicContact CD1-CG 4.13Å; L550-L721 HydrophobicContact CD2-CD1 3.37Å; I717-L721 HydrophobicContact CG2-CD1 3.88Å; I717-L721 HydrophobicContact CG2-CG 4.44Å; I717-L721 WeakPolarHBondContact O-CB 3.37Å; I717-L721 VanDerWaalsContact O-CG 3.27Å; I717-L721 WeakPolarHBondContact O-CG 3.37Å; I717-L721 PolarHBondContact O-N 2.99Å; Y718-L721 PolarHBondContact O-N 3.39Å; L719-L721 VanDerWaalsContact C-N 3.33Å; L719-L721 PolarHBondContact O-N 3.33Å; L721-Y723 PolarHBondContact O-N 3.14Å; L721-W724 PolarHBondContact O-N 3.48Å; L721-M725 WeakPolarHBondContact O-CB 3.42Å; L721-M725 WeakPolarHBondContact O-CG 3.39Å; L721-M725 PolarHBondContact O-N 3.15Å |
| 722 | W | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 178.4 | -172.8 | 97.7 | 0 | 0 | 0 | 111.8 | F649 M652 T661 F662 W663 I665 Y718 L719 F720 F726 | F649-W722 HydrophobicContact CE1-CG 4.46Å; F649-W722 AromaticContact CE1-NE1 3.84Å; M652-W722 HydrophobicContact CE-CB 4.23Å; M652-W722 HydrophobicContact CE-CG 4.29Å; T661-W722 PolarHBondContact O-NE1 3.34Å; F662-W722 HydrophobicContact CB-CZ2 4.48Å; F662-W722 HydrophobicContact CD1-CH2 4.36Å; F662-W722 AromaticContact CD1-CZ2 3.82Å; F662-W722 HydrophobicContact CD1-CZ2 3.82Å; W663-W722 AromaticContact CE2-CD1 3.72Å; W663-W722 HydrophobicContact CH2-CB 3.86Å; W663-W722 HydrophobicContact CH2-CG 4.27Å; W663-W722 HydrophobicContact CZ2-CB 4.23Å; W663-W722 AromaticContact CZ2-CD1 3.69Å; W663-W722 HydrophobicContact CZ2-CG 4.31Å; W663-W722 HydrophobicContact CZ3-CB 4.34Å; I665-W722 HydrophobicContact CD1-CH2 3.65Å; I665-W722 HydrophobicContact CD1-CZ2 4.27Å; I665-W722 HydrophobicContact CD1-CZ3 4.45Å; I665-W722 HydrophobicContact CG1-CH2 3.25Å; I665-W722 HydrophobicContact CG1-CZ2 3.87Å; I665-W722 HydrophobicContact CG1-CZ3 3.7Å; Y718-W722 WeakPolarHBondContact O-CB 3.44Å; Y718-W722 PolarHBondContact O-N 2.69Å; L719-W722 PolarHBondContact O-N 3.35Å; F720-W722 VanDerWaalsContact C-N 3.33Å; F720-W722 PolarHBondContact O-N 2.74Å; W722-F726 HydrophobicContact CH2-CD2 4.36Å; W722-F726 HydrophobicContact CH2-CG 4.42Å; W722-F726 HydrophobicContact CZ3-CB 4.45Å; W722-F726 WeakPolarHBondContact O-CB 3.28Å; W722-F726 PolarHBondContact O-N 3.18Å |
| 723 | Y | 95.6 | Very high | 94.6 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 37% | 0.365 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.6 | -40 | 177.2 | -77 | -75.5 | 0 | 0 | 0 | 112.9 | M668 L719 F720 L721 F726 L727 | M668-Y723 HydrophobicContact CG-CE2 3.72Å; M668-Y723 WeakPolarHBondContact CG-OH 3.36Å; L719-Y723 VanDerWaalsContact O-CD2 3.28Å; L719-Y723 WeakPolarHBondContact O-CD2 3.43Å; L719-Y723 PolarHBondContact O-N 3.12Å; F720-Y723 PolarHBondContact O-N 3.12Å; L721-Y723 PolarHBondContact O-N 3.14Å; Y723-F726 PolarHBondContact O-N 3.22Å; Y723-L727 PolarHBondContact O-N 2.95Å |
| 724 | W | 96 | Very high | 94.9 | Very high | 51 Ų | 51 | 42 Ų | 42 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 175.2 | 179.4 | -95.4 | 0 | 0 | 0 | 111.2 | L468 S473 I476 F720 L721 F726 L727 V728 | L468-W724 HydrophobicContact CD1-CH2 3.82Å; L468-W724 HydrophobicContact CD1-CZ2 3.73Å; S473-W724 PolarHBondContact OG-NE1 2.98Å; I476-W724 HydrophobicContact CD1-CD2 3.97Å; I476-W724 HydrophobicContact CD1-CE3 4.16Å; I476-W724 HydrophobicContact CD1-CH2 3.61Å; I476-W724 HydrophobicContact CD1-CZ2 3.39Å; I476-W724 HydrophobicContact CD1-CZ3 3.99Å; F720-W724 HydrophobicContact CZ-CB 4.38Å; F720-W724 HydrophobicContact CZ-CD2 4.48Å; F720-W724 HydrophobicContact CZ-CE3 4.25Å; F720-W724 WeakPolarHBondContact O-CB 3.34Å; F720-W724 PolarHBondContact O-N 3.4Å; L721-W724 PolarHBondContact O-N 3.48Å; W724-F726 VanDerWaalsContact C-N 3.26Å; W724-F726 PolarHBondContact O-N 3.43Å; W724-L727 WeakPolarHBondContact O-CB 3.32Å; W724-L727 PolarHBondContact O-N 2.86Å; W724-V728 HydrophobicContact CD2-CG2 4.42Å; W724-V728 HydrophobicContact CG-CG2 4.41Å; W724-V728 HydrophobicContact CZ2-CG2 4.37Å; W724-V728 WeakPolarHBondContact O-CG2 3.29Å; W724-V728 PolarHBondContact O-N 2.88Å |
| 725 | M | 93.7 | Very high | 95 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -36.4 | 178 | -69.4 | -60.6 | -61.7 | 0 | 0 | 112 | F557 V645 Q648 F649 L721 V728 A729 | F557-M725 HydrophobicContact CE2-CE 3.65Å; F557-M725 HydrophobicContact CE2-SD 3.4Å; F557-M725 WeakPolarHBondContact CE2-SD 3.22Å; F557-M725 HydrophobicContact CZ-CE 3.38Å; F557-M725 HydrophobicContact CZ-SD 3.31Å; F557-M725 WeakPolarHBondContact CZ-SD 3.35Å; V645-M725 HydrophobicContact CG1-CE 4.07Å; Q648-M725 HydrophobicContact CB-CE 3.19Å; Q648-M725 HydrophobicContact CG-CE 3.67Å; F649-M725 HydrophobicContact CE1-CB 4.29Å; F649-M725 HydrophobicContact CE2-CB 3.83Å; F649-M725 HydrophobicContact CZ-CB 3.68Å; L721-M725 WeakPolarHBondContact O-CB 3.42Å; L721-M725 WeakPolarHBondContact O-CG 3.39Å; L721-M725 PolarHBondContact O-N 3.15Å; M725-V728 PolarHBondContact O-N 3.34Å; M725-A729 VanDerWaalsContact O-CB 3.3Å; M725-A729 WeakPolarHBondContact O-CB 3.44Å; M725-A729 PolarHBondContact O-N 2.87Å |
| 726 | F | 95.2 | Very high | 95.1 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 38% | 0.382 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 175.7 | -175.1 | -104.1 | 0 | 0 | 0 | 111.8 | F649 W722 Y723 W724 A729 I730 | F649-F726 HydrophobicContact CZ-CB 4.07Å; W722-F726 HydrophobicContact CH2-CD2 4.36Å; W722-F726 HydrophobicContact CH2-CG 4.42Å; W722-F726 HydrophobicContact CZ3-CB 4.45Å; W722-F726 WeakPolarHBondContact O-CB 3.28Å; W722-F726 PolarHBondContact O-N 3.18Å; Y723-F726 PolarHBondContact O-N 3.22Å; W724-F726 VanDerWaalsContact C-N 3.26Å; W724-F726 PolarHBondContact O-N 3.43Å; F726-A729 WeakPolarHBondContact O-CB 3.38Å; F726-A729 PolarHBondContact O-N 3.2Å; F726-I730 HydrophobicContact CD1-CD1 3.95Å; F726-I730 HydrophobicContact CE1-CD1 3.52Å; F726-I730 HydrophobicContact CZ-CD1 3.92Å; F726-I730 WeakPolarHBondContact O-CG1 3.4Å; F726-I730 PolarHBondContact O-N 3.22Å; F726-I730 VanDerWaalsContact O-N 3.12Å |
| 727 | L | 95.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 46% | 0.461 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 174.1 | 178.2 | 67.9 | 0 | 0 | 0 | 111.5 | Y723 W724 A729 I730 C731 | Y723-L727 PolarHBondContact O-N 2.95Å; W724-L727 WeakPolarHBondContact O-CB 3.32Å; W724-L727 PolarHBondContact O-N 2.86Å; L727-A729 VanDerWaalsContact C-N 3.27Å; L727-A729 PolarHBondContact O-N 3.41Å; L727-I730 PolarHBondContact O-N 2.85Å; L727-C731 PolarHBondContact O-N 3.44Å; L727-C731 PolarHBondContact O-SG 3.18Å |
| 728 | V | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -38.8 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L468 N469 F557 V645 W724 M725 C731 T732 | L468-V728 HydrophobicContact CD2-CB 4.48Å; L468-V728 HydrophobicContact CD2-CG2 4.1Å; L468-V728 HydrophobicContact CG-CG2 4.04Å; N469-V728 WeakPolarHBondContact OD1-CG1 3.41Å; F557-V728 HydrophobicContact CE1-CG1 4.14Å; V645-V728 HydrophobicContact CG2-CG1 3.8Å; W724-V728 HydrophobicContact CD2-CG2 4.42Å; W724-V728 HydrophobicContact CG-CG2 4.41Å; W724-V728 HydrophobicContact CZ2-CG2 4.37Å; W724-V728 WeakPolarHBondContact O-CG2 3.29Å; W724-V728 PolarHBondContact O-N 2.88Å; M725-V728 PolarHBondContact O-N 3.34Å; V728-C731 PolarHBondContact O-N 3.4Å; V728-T732 HydrophobicContact CG1-CG2 4.13Å; V728-T732 WeakPolarHBondContact O-CB 3.48Å; V728-T732 VanDerWaalsContact O-CG2 3.25Å; V728-T732 WeakPolarHBondContact O-CG2 3.36Å; V728-T732 PolarHBondContact O-N 3.23Å; V728-T732 PolarHBondContact O-OG1 3.39Å |
| 729 | A | 95.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 12% | 0.116 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V645 F649 M725 F726 L727 T732 T733 | V645-A729 HydrophobicContact CG1-CB 3.53Å; F649-A729 HydrophobicContact CE2-CB 4.22Å; M725-A729 VanDerWaalsContact O-CB 3.3Å; M725-A729 WeakPolarHBondContact O-CB 3.44Å; M725-A729 PolarHBondContact O-N 2.87Å; F726-A729 WeakPolarHBondContact O-CB 3.38Å; F726-A729 PolarHBondContact O-N 3.2Å; L727-A729 VanDerWaalsContact C-N 3.27Å; L727-A729 PolarHBondContact O-N 3.41Å; A729-T732 WeakPolarHBondContact CA-OG1 3.4Å; A729-T732 PolarHBondContact O-OG1 3.4Å; A729-T733 VanDerWaalsContact O-CB 3.27Å; A729-T733 WeakPolarHBondContact O-CB 3.32Å; A729-T733 PolarHBondContact O-N 3.13Å; A729-T733 PolarHBondContact O-OG1 2.85Å |
| 730 | I | 96.4 | Very high | 95.3 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -52.1 | 177.1 | -66 | 167.4 | 0 | 0 | 0 | 110.1 | F726 L727 T732 T733 L734 | F726-I730 HydrophobicContact CD1-CD1 3.95Å; F726-I730 HydrophobicContact CE1-CD1 3.52Å; F726-I730 HydrophobicContact CZ-CD1 3.92Å; F726-I730 WeakPolarHBondContact O-CG1 3.4Å; F726-I730 PolarHBondContact O-N 3.22Å; F726-I730 VanDerWaalsContact O-N 3.12Å; L727-I730 PolarHBondContact O-N 2.85Å; I730-T732 PolarHBondContact O-N 2.98Å; I730-T733 PolarHBondContact O-N 3.1Å; I730-L734 HydrophobicContact CG2-CD1 3.97Å; I730-L734 WeakPolarHBondContact O-CG 3.41Å; I730-L734 PolarHBondContact O-N 3.36Å |
| 731 | C | 96.4 | Very high | 95.2 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.1 | -45.1 | -179.5 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | T465 L468 L727 V728 N735 | T465-C731 HydrophobicContact CG2-CB 4.17Å; L468-C731 HydrophobicContact CD2-CB 3.85Å; L727-C731 PolarHBondContact O-N 3.44Å; L727-C731 PolarHBondContact O-SG 3.18Å; V728-C731 PolarHBondContact O-N 3.4Å; C731-N735 VanDerWaalsContact O-CB 3.24Å; C731-N735 WeakPolarHBondContact O-CB 3.38Å; C731-N735 PolarHBondContact O-N 3.47Å |
| 732 | T | 95.6 | Very high | 95 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.9 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | T465 N469 V645 V728 A729 I730 N735 F736 | T465-T732 HydrophobicContact CG2-CG2 3.97Å; N469-T732 WeakPolarHBondContact ND2-CG2 3.3Å; N469-T732 WeakPolarHBondContact OD1-CG2 3.39Å; V645-T732 HydrophobicContact CG2-CG2 4.26Å; V728-T732 HydrophobicContact CG1-CG2 4.13Å; V728-T732 WeakPolarHBondContact O-CB 3.48Å; V728-T732 VanDerWaalsContact O-CG2 3.25Å; V728-T732 WeakPolarHBondContact O-CG2 3.36Å; V728-T732 PolarHBondContact O-N 3.23Å; V728-T732 PolarHBondContact O-OG1 3.39Å; A729-T732 WeakPolarHBondContact CA-OG1 3.4Å; A729-T732 PolarHBondContact O-OG1 3.4Å; I730-T732 PolarHBondContact O-N 2.98Å; T732-N735 PolarHBondContact O-N 3.27Å; T732-F736 WeakPolarHBondContact O-CB 3.24Å; T732-F736 PolarHBondContact O-N 3.48Å |
| 733 | T | 96.2 | Very high | 94.7 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 179.3 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | A729 I730 N735 F736 A737 | A729-T733 VanDerWaalsContact O-CB 3.27Å; A729-T733 WeakPolarHBondContact O-CB 3.32Å; A729-T733 PolarHBondContact O-N 3.13Å; A729-T733 PolarHBondContact O-OG1 2.85Å; I730-T733 PolarHBondContact O-N 3.1Å; T733-N735 VanDerWaalsContact C-N 3.34Å; T733-N735 PolarHBondContact O-N 3.39Å; T733-F736 PolarHBondContact O-N 3.21Å; T733-A737 WeakPolarHBondContact O-CB 3.45Å; T733-A737 PolarHBondContact O-N 2.68Å |
| 734 | L | 96.1 | Very high | 94.3 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 62% | 0.618 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 175.5 | -67.8 | 175.9 | 0 | 0 | 0 | 111.7 | I730 A737 Y738 | I730-L734 HydrophobicContact CG2-CD1 3.97Å; I730-L734 WeakPolarHBondContact O-CG 3.41Å; I730-L734 PolarHBondContact O-N 3.36Å; L734-A737 PolarHBondContact O-N 3.46Å; L734-Y738 WeakPolarHBondContact O-CB 3.32Å; L734-Y738 PolarHBondContact O-N 3.3Å |
| 735 | N | 94 | Very high | 94.1 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 178.5 | -169 | -105.9 | 0 | 0 | 0 | 112.6 | D463 T465 K638 C731 T732 T733 Y738 W739 | D463-N735 PolarHBondContact OD2-ND2 3.44Å; T465-N735 HydrophobicContact CG2-CB 3.67Å; K638-N735 VanDerWaalsContact CD-OD1 3.23Å; K638-N735 WeakPolarHBondContact CD-OD1 3.36Å; K638-N735 VanDerWaalsContact CE-OD1 3.27Å; K638-N735 WeakPolarHBondContact CE-OD1 3.48Å; C731-N735 VanDerWaalsContact O-CB 3.24Å; C731-N735 WeakPolarHBondContact O-CB 3.38Å; C731-N735 PolarHBondContact O-N 3.47Å; T732-N735 PolarHBondContact O-N 3.27Å; T733-N735 VanDerWaalsContact C-N 3.34Å; T733-N735 PolarHBondContact O-N 3.39Å; N735-Y738 PolarHBondContact O-N 2.92Å; N735-W739 VanDerWaalsContact O-CD1 3.25Å; N735-W739 PolarHBondContact O-N 3.34Å |
| 736 | F | 95.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 18% | 0.18 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.3 | 173 | -114.4 | 0 | 0 | 0 | 111.2 | V635 K638 L639 M642 T732 T733 Y738 W739 C740 | V635-F736 HydrophobicContact CG1-CE2 4.15Å; K638-F736 HydrophobicContact CB-CD2 3.9Å; L639-F736 HydrophobicContact CB-CD2 4.21Å; L639-F736 HydrophobicContact CB-CE2 3.62Å; L639-F736 HydrophobicContact CB-CZ 4.1Å; L639-F736 HydrophobicContact CD1-CE1 4.14Å; L639-F736 HydrophobicContact CD1-CE2 4.12Å; L639-F736 HydrophobicContact CD1-CZ 3.73Å; L639-F736 HydrophobicContact CG-CE2 4.42Å; L639-F736 HydrophobicContact CG-CZ 4.42Å; M642-F736 HydrophobicContact CE-CD1 4.5Å; M642-F736 HydrophobicContact CE-CE1 4.5Å; M642-F736 HydrophobicContact SD-CD1 3.57Å; M642-F736 VanDerWaalsContact SD-CD1 3.57Å; M642-F736 HydrophobicContact SD-CE1 4.1Å; M642-F736 HydrophobicContact SD-CG 4.24Å; T732-F736 WeakPolarHBondContact O-CB 3.24Å; T732-F736 PolarHBondContact O-N 3.48Å; T733-F736 PolarHBondContact O-N 3.21Å; F736-Y738 VanDerWaalsContact C-N 3.35Å; F736-Y738 PolarHBondContact O-N 3.46Å; F736-W739 PolarHBondContact O-N 2.93Å; F736-C740 WeakPolarHBondContact CE2-SG 3.24Å; F736-C740 WeakPolarHBondContact CZ-SG 3.47Å; F736-C740 WeakPolarHBondContact O-CB 3.5Å; F736-C740 PolarHBondContact O-N 3.19Å; F736-C740 PolarHBondContact O-SG 3.36Å; F736-C740 VanDerWaalsContact O-SG 3.39Å |
| 737 | A | 95.7 | Very high | 93.5 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T733 L734 C740 C741 | T733-A737 WeakPolarHBondContact O-CB 3.45Å; T733-A737 PolarHBondContact O-N 2.68Å; L734-A737 PolarHBondContact O-N 3.46Å; A737-C740 PolarHBondContact O-N 3.09Å; A737-C741 PolarHBondContact O-N 3.29Å; A737-C741 PolarHBondContact O-SG 3.08Å; A737-C741 VanDerWaalsContact O-SG 3.34Å |
| 738 | Y | 93.4 | Very high | 93.3 | Very high | 128 Ų | 128 | 51.6 Ų | 51.6 | 50% | 0.502 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 175.7 | 170.6 | -103 | 0 | 0 | 0 | 112.3 | L734 N735 F736 C741 I742 | L734-Y738 WeakPolarHBondContact O-CB 3.32Å; L734-Y738 PolarHBondContact O-N 3.3Å; N735-Y738 PolarHBondContact O-N 2.92Å; F736-Y738 VanDerWaalsContact C-N 3.35Å; F736-Y738 PolarHBondContact O-N 3.46Å; Y738-C741 PolarHBondContact O-N 3.46Å; Y738-I742 HydrophobicContact CD1-CD1 4.08Å; Y738-I742 HydrophobicContact CD2-CD1 4.13Å; Y738-I742 HydrophobicContact CE1-CD1 3.44Å; Y738-I742 VanDerWaalsContact CE1-CD1 3.44Å; Y738-I742 HydrophobicContact CE2-CD1 3.5Å; Y738-I742 VanDerWaalsContact CE2-CD1 3.5Å; Y738-I742 HydrophobicContact CE2-CG1 4.39Å; Y738-I742 HydrophobicContact CG-CD1 4.4Å; Y738-I742 PolarHBondContact O-N 3.06Å; Y738-I742 VanDerWaalsContact OH-CD1 3.25Å; Y738-I742 WeakPolarHBondContact OH-CD1 3.4Å |
| 739 | W | 93.4 | Very high | 93 | Very high | 9 Ų | 9 | 52 Ų | 52 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69 | -33.6 | 179.3 | -77.8 | 109.6 | 0 | 0 | 0 | 112.7 | Y634 K638 N735 F736 I742 S743 L787 | Y634-W739 HydrophobicContact CD1-CD2 4.35Å; Y634-W739 HydrophobicContact CD1-CE3 4.2Å; Y634-W739 HydrophobicContact CD1-CZ3 4.48Å; Y634-W739 AromaticContact CE1-CD2 3.6Å; Y634-W739 HydrophobicContact CE1-CD2 3.6Å; Y634-W739 AromaticContact CE1-CE2 3.65Å; Y634-W739 AromaticContact CE1-CE3 3.74Å; Y634-W739 HydrophobicContact CE1-CE3 3.74Å; Y634-W739 HydrophobicContact CE1-CG 4.15Å; Y634-W739 AromaticContact CE1-CH2 3.97Å; Y634-W739 HydrophobicContact CE1-CH2 3.97Å; Y634-W739 AromaticContact CE1-CZ2 3.85Å; Y634-W739 HydrophobicContact CE1-CZ2 3.85Å; Y634-W739 AromaticContact CE1-CZ3 3.92Å; Y634-W739 HydrophobicContact CE1-CZ3 3.92Å; K638-W739 HydrophobicContact CG-CB 4.47Å; K638-W739 HydrophobicContact CG-CG 4.48Å; N735-W739 VanDerWaalsContact O-CD1 3.25Å; N735-W739 PolarHBondContact O-N 3.34Å; F736-W739 PolarHBondContact O-N 2.93Å; W739-I742 HydrophobicContact CE3-CB 4.5Å; W739-I742 HydrophobicContact CE3-CG2 4.3Å; W739-I742 HydrophobicContact CZ3-CG2 4.32Å; W739-I742 PolarHBondContact O-N 3.35Å; W739-S743 WeakPolarHBondContact O-CB 3.42Å; W739-S743 PolarHBondContact O-N 3.4Å; W739-S743 PolarHBondContact O-OG 2.85Å; W739-S743 VanDerWaalsContact O-OG 3.07Å; W739-L787 HydrophobicContact CH2-CD1 4.28Å; W739-L787 HydrophobicContact CZ3-CD1 3.79Å |
| 740 | C | 93.7 | Very high | 92.8 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 170 | -77.2 | 0 | 0 | 0 | 0 | 112 | F736 A737 I742 S743 F744 | F736-C740 WeakPolarHBondContact CE2-SG 3.24Å; F736-C740 WeakPolarHBondContact CZ-SG 3.47Å; F736-C740 WeakPolarHBondContact O-CB 3.5Å; F736-C740 PolarHBondContact O-N 3.19Å; F736-C740 PolarHBondContact O-SG 3.36Å; F736-C740 VanDerWaalsContact O-SG 3.39Å; A737-C740 PolarHBondContact O-N 3.09Å; C740-I742 PolarHBondContact O-N 3.47Å; C740-S743 PolarHBondContact O-N 3.21Å; C740-F744 HydrophobicContact CB-CD2 4.29Å; C740-F744 WeakPolarHBondContact O-CB 3.36Å; C740-F744 VanDerWaalsContact O-CD2 3.23Å; C740-F744 WeakPolarHBondContact O-CD2 3.2Å; C740-F744 PolarHBondContact O-N 3.3Å; C740-F744 VanDerWaalsContact O-N 3.11Å |
| 741 | C | 93.7 | Very high | 92.6 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.2 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | A737 Y738 A745 F748 | A737-C741 PolarHBondContact O-N 3.29Å; A737-C741 PolarHBondContact O-SG 3.08Å; A737-C741 VanDerWaalsContact O-SG 3.34Å; Y738-C741 PolarHBondContact O-N 3.46Å; C741-A745 WeakPolarHBondContact O-CB 3.27Å; C741-A745 PolarHBondContact O-N 2.85Å; C741-F748 HydrophobicContact CB-CE2 4.29Å; C741-F748 WeakPolarHBondContact O-CD2 3.42Å |
| 742 | I | 90.7 | Very high | 92.5 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -48 | 178.6 | -74.4 | 176.5 | 0 | 0 | 0 | 111.8 | Y738 W739 C740 F744 | Y738-I742 HydrophobicContact CD1-CD1 4.08Å; Y738-I742 HydrophobicContact CD2-CD1 4.13Å; Y738-I742 HydrophobicContact CE1-CD1 3.44Å; Y738-I742 VanDerWaalsContact CE1-CD1 3.44Å; Y738-I742 HydrophobicContact CE2-CD1 3.5Å; Y738-I742 VanDerWaalsContact CE2-CD1 3.5Å; Y738-I742 HydrophobicContact CE2-CG1 4.39Å; Y738-I742 HydrophobicContact CG-CD1 4.4Å; Y738-I742 PolarHBondContact O-N 3.06Å; Y738-I742 VanDerWaalsContact OH-CD1 3.25Å; Y738-I742 WeakPolarHBondContact OH-CD1 3.4Å; W739-I742 HydrophobicContact CE3-CB 4.5Å; W739-I742 HydrophobicContact CE3-CG2 4.3Å; W739-I742 HydrophobicContact CZ3-CG2 4.32Å; W739-I742 PolarHBondContact O-N 3.35Å; C740-I742 PolarHBondContact O-N 3.47Å; I742-F744 PolarHBondContact O-N 3.36Å |
| 743 | S | 89 | Confident | 92.4 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.5 | -24.7 | -171.2 | -70 | 0 | 0 | 0 | 0 | 114.2 | N631 V635 W739 C740 | N631-S743 VanDerWaalsContact ND2-CB 3.35Å; N631-S743 WeakPolarHBondContact ND2-CB 3.37Å; N631-S743 PolarHBondContact ND2-O 3.06Å; N631-S743 WeakPolarHBondContact OD1-CB 3.23Å; N631-S743 PolarHBondContact OD1-OG 3.26Å; V635-S743 VanDerWaalsContact CG2-CB 3.46Å; V635-S743 WeakPolarHBondContact CG2-OG 3.44Å; W739-S743 WeakPolarHBondContact O-CB 3.42Å; W739-S743 PolarHBondContact O-N 3.4Å; W739-S743 PolarHBondContact O-OG 2.85Å; W739-S743 VanDerWaalsContact O-OG 3.07Å; C740-S743 PolarHBondContact O-N 3.21Å |
| 744 | F | 88.6 | Confident | 92.2 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -104.3 | -20 | -177.9 | -67.8 | -61.7 | 0 | 0 | 0 | 114.5 | V635 C740 I742 | V635-F744 HydrophobicContact CG1-CE2 4.25Å; C740-F744 HydrophobicContact CB-CD2 4.29Å; C740-F744 WeakPolarHBondContact O-CB 3.36Å; C740-F744 VanDerWaalsContact O-CD2 3.23Å; C740-F744 WeakPolarHBondContact O-CD2 3.2Å; C740-F744 PolarHBondContact O-N 3.3Å; C740-F744 VanDerWaalsContact O-N 3.11Å; I742-F744 PolarHBondContact O-N 3.36Å |
| 745 | A | 90.2 | Very high | 91.9 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | trans | -102.8 | 102.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C741 T747 F748 | C741-A745 WeakPolarHBondContact O-CB 3.27Å; C741-A745 PolarHBondContact O-N 2.85Å; A745-T747 PolarHBondContact O-N 3.21Å; A745-F748 HydrophobicContact CB-CD2 3.82Å; A745-F748 HydrophobicContact CB-CE2 4.06Å; A745-F748 PolarHBondContact O-N 3.02Å | ||
| 746 | D | 86.4 | Confident | 91.9 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.9 | -21.7 | -179.2 | -61.5 | -43.2 | 0 | 0 | 0 | 112.8 | R628 F748 D749 E750 | R628-D746 IonicContact NH2-OD1 3.74Å; R628-D746 PolarHBondContact NH2-OD1 3.47Å; R628-D746 IonicContact NH2-OD2 2.97Å; D746-F748 VanDerWaalsContact C-N 3.29Å; D746-F748 PolarHBondContact O-N 3.17Å; D746-D749 PolarHBondContact O-N 2.84Å; D746-E750 WeakPolarHBondContact O-CG 3.26Å; D746-E750 PolarHBondContact O-N 3.43Å |
| 747 | T | 90.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -32.7 | 175.4 | -48.9 | 0 | 0 | 0 | 0 | 113.6 | A745 K751 | A745-T747 PolarHBondContact O-N 3.21Å; T747-K751 WeakPolarHBondContact O-CG 3.34Å; T747-K751 PolarHBondContact O-N 3.49Å; T747-K751 VanDerWaalsContact O-N 3.1Å |
| 748 | F | 91.2 | Very high | 91.3 | Very high | 94 Ų | 94 | 55 Ų | 55 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.7 | -34.7 | 177.6 | -70.8 | -69.2 | 0 | 0 | 0 | 112 | C741 A745 D746 F752 R790 | C741-F748 HydrophobicContact CB-CE2 4.29Å; C741-F748 WeakPolarHBondContact O-CD2 3.42Å; A745-F748 HydrophobicContact CB-CD2 3.82Å; A745-F748 HydrophobicContact CB-CE2 4.06Å; A745-F748 PolarHBondContact O-N 3.02Å; D746-F748 VanDerWaalsContact C-N 3.29Å; D746-F748 PolarHBondContact O-N 3.17Å; F748-F752 VanDerWaalsContact O-CB 3.27Å; F748-F752 WeakPolarHBondContact O-CB 3.18Å; F748-F752 PolarHBondContact O-N 2.92Å; F748-R790 PolarHBondContact O-NH2 3.27Å |
| 749 | D | 91.2 | Very high | 91.2 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.5 | -41 | 175.1 | -72.2 | -13.9 | 0 | 0 | 0 | 111.1 | D746 K751 F752 I753 V786 R790 | D746-D749 PolarHBondContact O-N 2.84Å; D749-K751 PolarHBondContact O-N 2.86Å; D749-F752 PolarHBondContact O-N 3.37Å; D749-I753 WeakPolarHBondContact O-CG1 3.37Å; D749-I753 PolarHBondContact O-N 3.16Å; D749-V786 HydrophobicContact CB-CG1 4.03Å; D749-V786 HydrophobicContact CB-CG2 4.44Å; D749-V786 WeakPolarHBondContact OD1-CG1 3.41Å; D749-R790 IonicContact OD1-CZ 3.89Å; D749-R790 IonicContact OD1-NE 3.37Å; D749-R790 IonicContact OD1-NH2 3.9Å; D749-R790 PolarHBondContact OD1-NH2 2.91Å |
| 750 | E | 91.8 | Very high | 90.9 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 172.8 | -73.1 | 175.6 | -158.1 | 0 | 0 | 111.8 | D746 F752 I753 E754 K774 I777 | D746-E750 WeakPolarHBondContact O-CG 3.26Å; D746-E750 PolarHBondContact O-N 3.43Å; E750-F752 VanDerWaalsContact C-N 3.35Å; E750-F752 PolarHBondContact O-N 3.49Å; E750-I753 PolarHBondContact O-N 3.43Å; E750-E754 WeakPolarHBondContact O-CB 3.46Å; E750-E754 PolarHBondContact O-N 2.97Å; E750-K774 HydrophobicContact CG-CG 4.19Å; E750-K774 WeakPolarHBondContact OE1-CE 3.4Å; E750-K774 IonicContact OE1-NZ 2.88Å; E750-K774 PolarHBondContact OE1-NZ 3.36Å; E750-K774 VanDerWaalsContact OE2-CE 3.24Å; E750-K774 WeakPolarHBondContact OE2-CE 3.24Å; E750-K774 IonicContact OE2-NZ 3.35Å; E750-K774 PolarHBondContact OE2-NZ 2.92Å; E750-I777 HydrophobicContact CG-CD1 4.15Å |
| 751 | K | 91.9 | Very high | 90.4 | Very high | 127 Ų | 127 | 54.3 Ų | 54.3 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 179.3 | -76.6 | 178.8 | 179.5 | 179.2 | 0 | 112.8 | T747 D749 Y755 | T747-K751 WeakPolarHBondContact O-CG 3.34Å; T747-K751 PolarHBondContact O-N 3.49Å; T747-K751 VanDerWaalsContact O-N 3.1Å; D749-K751 PolarHBondContact O-N 2.86Å; K751-Y755 WeakPolarHBondContact O-CB 3.23Å; K751-Y755 PolarHBondContact O-N 3.43Å |
| 752 | F | 93 | Very high | 89.8 | Confident | 23 Ų | 23 | 59 Ų | 59 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -51.7 | 178.3 | 176.7 | -106.7 | 0 | 0 | 0 | 111.2 | F748 D749 E750 Y755 H756 V786 I789 R790 E793 | F748-F752 VanDerWaalsContact O-CB 3.27Å; F748-F752 WeakPolarHBondContact O-CB 3.18Å; F748-F752 PolarHBondContact O-N 2.92Å; D749-F752 PolarHBondContact O-N 3.37Å; E750-F752 VanDerWaalsContact C-N 3.35Å; E750-F752 PolarHBondContact O-N 3.49Å; F752-Y755 PolarHBondContact O-N 3.38Å; F752-H756 AromaticContact CD2-NE2 3.85Å; F752-H756 AromaticContact CE2-CD2 3.64Å; F752-H756 AromaticContact CE2-NE2 3.1Å; F752-H756 WeakPolarHBondContact CE2-NE2 3.45Å; F752-H756 AromaticContact CZ-CD2 3.64Å; F752-H756 AromaticContact CZ-NE2 3.27Å; F752-H756 VanDerWaalsContact CZ-NE2 3.27Å; F752-H756 WeakPolarHBondContact CZ-NE2 3.37Å; F752-H756 PolarHBondContact O-CD2 2.82Å; F752-H756 VanDerWaalsContact O-CD2 3.27Å; F752-H756 PolarHBondContact O-N 3.14Å; F752-V786 HydrophobicContact CD1-CG1 3.89Å; F752-V786 HydrophobicContact CE1-CG1 4.38Å; F752-I789 HydrophobicContact CE1-CB 4.49Å; F752-I789 HydrophobicContact CE1-CG2 4Å; F752-I789 HydrophobicContact CZ-CG2 4.25Å; F752-R790 HydrophobicContact CD1-CG 4.24Å; F752-R790 HydrophobicContact CE1-CG 3.78Å; F752-R790 HydrophobicContact CE2-CG 4.14Å; F752-R790 HydrophobicContact CZ-CG 3.73Å; F752-E793 WeakPolarHBondContact CE2-OE2 3.36Å; F752-E793 WeakPolarHBondContact CZ-OE2 3.43Å |
| 753 | I | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68 | -37.8 | 178.4 | -61.1 | -60.5 | 0 | 0 | 0 | 111.6 | D749 E750 Y755 H756 L757 I773 F776 I777 L781 V786 I805 | D749-I753 WeakPolarHBondContact O-CG1 3.37Å; D749-I753 PolarHBondContact O-N 3.16Å; E750-I753 PolarHBondContact O-N 3.43Å; I753-Y755 VanDerWaalsContact C-N 3.31Å; I753-Y755 PolarHBondContact O-N 3.37Å; I753-H756 PolarHBondContact O-N 2.96Å; I753-L757 HydrophobicContact CG2-CD1 3.66Å; I753-L757 HydrophobicContact CG2-CG 4.22Å; I753-L757 WeakPolarHBondContact O-CB 3.5Å; I753-L757 WeakPolarHBondContact O-CG 3.33Å; I753-L757 PolarHBondContact O-N 3.27Å; I753-I773 HydrophobicContact CB-CG2 4.41Å; I753-I773 HydrophobicContact CG2-CG2 4.1Å; I753-F776 HydrophobicContact CG2-CD1 4.05Å; I753-F776 HydrophobicContact CG2-CE1 4.06Å; I753-I777 HydrophobicContact CB-CD1 4.06Å; I753-I777 HydrophobicContact CB-CG1 4.39Å; I753-I777 HydrophobicContact CG1-CD1 3.97Å; I753-I777 HydrophobicContact CG1-CG1 4.05Å; I753-I777 HydrophobicContact CG2-CD1 4.46Å; I753-I777 HydrophobicContact CG2-CG1 4.4Å; I753-L781 HydrophobicContact CD1-CD1 3.79Å; I753-L781 HydrophobicContact CG1-CD1 4.32Å; I753-V786 HydrophobicContact CD1-CG2 4.4Å; I753-V786 HydrophobicContact CG1-CG2 4.32Å; I753-I805 HydrophobicContact CD1-CD1 3.89Å; I753-I805 HydrophobicContact CD1-CG1 4.22Å; I753-I805 HydrophobicContact CG2-CG2 4.27Å |
| 754 | E | 92.1 | Very high | 88.3 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 175.1 | -176.6 | 177.9 | 176.3 | 0 | 0 | 112 | E750 K758 I773 | E750-E754 WeakPolarHBondContact O-CB 3.46Å; E750-E754 PolarHBondContact O-N 2.97Å; E754-K758 HydrophobicContact CG-CD 4.17Å; E754-K758 WeakPolarHBondContact O-CB 3.41Å; E754-K758 VanDerWaalsContact O-CG 3.26Å; E754-K758 WeakPolarHBondContact O-CG 3.44Å; E754-K758 PolarHBondContact O-N 3.08Å; E754-K758 VanDerWaalsContact O-N 3.08Å; E754-K758 VanDerWaalsContact OE1-CE 3.24Å; E754-K758 WeakPolarHBondContact OE1-CE 3.08Å; E754-K758 IonicContact OE1-NZ 3.66Å; E754-K758 PolarHBondContact OE1-NZ 2.94Å; E754-I773 HydrophobicContact CB-CD1 3.89Å; E754-I773 HydrophobicContact CG-CD1 3.85Å |
| 755 | Y | 91.7 | Very high | 87.5 | Confident | 130 Ų | 130 | 68.1 Ų | 68.1 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -52.5 | 176.9 | 171.5 | -99 | 0 | 0 | 0 | 111.8 | K751 F752 I753 K758 L759 | K751-Y755 WeakPolarHBondContact O-CB 3.23Å; K751-Y755 PolarHBondContact O-N 3.43Å; F752-Y755 PolarHBondContact O-N 3.38Å; I753-Y755 VanDerWaalsContact C-N 3.31Å; I753-Y755 PolarHBondContact O-N 3.37Å; Y755-K758 PolarHBondContact O-N 2.88Å; Y755-L759 PolarHBondContact O-N 3.46Å |
| 756 | H | 92.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -39.1 | -179.1 | -71.4 | -73 | 0 | 0 | 0 | 113 | F752 I753 K758 L759 A760 E793 D798 T802 I805 | F752-H756 AromaticContact CD2-NE2 3.85Å; F752-H756 AromaticContact CE2-CD2 3.64Å; F752-H756 AromaticContact CE2-NE2 3.1Å; F752-H756 WeakPolarHBondContact CE2-NE2 3.45Å; F752-H756 AromaticContact CZ-CD2 3.64Å; F752-H756 AromaticContact CZ-NE2 3.27Å; F752-H756 VanDerWaalsContact CZ-NE2 3.27Å; F752-H756 WeakPolarHBondContact CZ-NE2 3.37Å; F752-H756 PolarHBondContact O-CD2 2.82Å; F752-H756 VanDerWaalsContact O-CD2 3.27Å; F752-H756 PolarHBondContact O-N 3.14Å; I753-H756 PolarHBondContact O-N 2.96Å; H756-K758 VanDerWaalsContact C-N 3.34Å; H756-K758 PolarHBondContact O-N 2.95Å; H756-L759 WeakPolarHBondContact O-CB 3.4Å; H756-L759 PolarHBondContact O-N 2.96Å; H756-L759 VanDerWaalsContact O-N 3.16Å; H756-A760 WeakPolarHBondContact O-CB 3.43Å; H756-A760 PolarHBondContact O-N 3.33Å; H756-E793 IonicContact CE1-OE1 2.87Å; H756-E793 IonicContact NE2-OE1 3.95Å; H756-D798 IonicContact CE1-OD1 2.97Å; H756-D798 PolarHBondContact CE1-OD1 2.89Å; H756-D798 IonicContact ND1-OD1 2.75Å; H756-D798 PolarHBondContact ND1-OD1 3.44Å; H756-T802 PolarHBondContact ND1-OG1 3.2Å; H756-I805 HydrophobicContact CB-CD1 3.41Å; H756-I805 VanDerWaalsContact CB-CD1 3.41Å |
| 757 | L | 91.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 177.1 | -75.5 | 171.6 | 0 | 0 | 0 | 112 | I753 L759 R761 L768 I805 Y809 | I753-L757 HydrophobicContact CG2-CD1 3.66Å; I753-L757 HydrophobicContact CG2-CG 4.22Å; I753-L757 WeakPolarHBondContact O-CB 3.5Å; I753-L757 WeakPolarHBondContact O-CG 3.33Å; I753-L757 PolarHBondContact O-N 3.27Å; L757-L759 VanDerWaalsContact C-N 3.3Å; L757-R761 VanDerWaalsContact O-CB 3.3Å; L757-R761 WeakPolarHBondContact O-CB 3.32Å; L757-R761 PolarHBondContact O-N 3.28Å; L757-L768 HydrophobicContact CB-CD2 3.58Å; L757-L768 HydrophobicContact CD1-CD2 3.62Å; L757-L768 HydrophobicContact CG-CD2 4.19Å; L757-I805 HydrophobicContact CD1-CG2 4.38Å; L757-I805 HydrophobicContact CD2-CG2 3.64Å; L757-I805 HydrophobicContact CG-CG2 3.67Å; L757-Y809 HydrophobicContact CD1-CD2 3.92Å; L757-Y809 HydrophobicContact CD1-CE2 4.29Å; L757-Y809 HydrophobicContact CD1-CG 4.39Å; L757-Y809 HydrophobicContact CD2-CD1 4.43Å; L757-Y809 HydrophobicContact CD2-CD2 4.34Å; L757-Y809 HydrophobicContact CD2-CG 3.98Å |
| 758 | K | 89.2 | Confident | 85.7 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.9 | -35.7 | 172.6 | -76.7 | 177.9 | -176.3 | 173.9 | 0 | 112.2 | E754 Y755 H756 K762 | E754-K758 HydrophobicContact CG-CD 4.17Å; E754-K758 WeakPolarHBondContact O-CB 3.41Å; E754-K758 VanDerWaalsContact O-CG 3.26Å; E754-K758 WeakPolarHBondContact O-CG 3.44Å; E754-K758 PolarHBondContact O-N 3.08Å; E754-K758 VanDerWaalsContact O-N 3.08Å; E754-K758 VanDerWaalsContact OE1-CE 3.24Å; E754-K758 WeakPolarHBondContact OE1-CE 3.08Å; E754-K758 IonicContact OE1-NZ 3.66Å; E754-K758 PolarHBondContact OE1-NZ 2.94Å; Y755-K758 PolarHBondContact O-N 2.88Å; H756-K758 VanDerWaalsContact C-N 3.34Å; H756-K758 PolarHBondContact O-N 2.95Å; K758-K762 WeakPolarHBondContact O-CB 3.44Å; K758-K762 PolarHBondContact O-N 3.48Å; K758-K762 VanDerWaalsContact O-N 3.16Å |
| 759 | L | 89.6 | Confident | 85.5 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.4 | -48.1 | 177 | -174.1 | 60 | 0 | 0 | 0 | 111.3 | Y755 H756 L757 T802 | Y755-L759 PolarHBondContact O-N 3.46Å; H756-L759 WeakPolarHBondContact O-CB 3.4Å; H756-L759 PolarHBondContact O-N 2.96Å; H756-L759 VanDerWaalsContact O-N 3.16Å; L757-L759 VanDerWaalsContact C-N 3.3Å; L759-T802 HydrophobicContact CB-CG2 4.26Å; L759-T802 HydrophobicContact CD2-CG2 4.34Å; L759-T802 HydrophobicContact CG-CG2 4.28Å |
| 760 | A | 87.8 | Confident | 85.2 | Confident | 31 Ų | 31 | 76 Ų | 76 | 26% | 0.256 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H756 T802 D806 | H756-A760 WeakPolarHBondContact O-CB 3.43Å; H756-A760 PolarHBondContact O-N 3.33Å; A760-T802 HydrophobicContact CB-CG2 3.63Å; A760-D806 HydrophobicContact CB-CB 3.72Å |
| 761 | R | 84.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 79.4 Ų | 79.4 | 15% | 0.151 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 11.2 | -174 | -63.3 | -175 | 168.4 | -133.4 | -4.2 | 114.1 | L757 E763 S764 G765 D766 D806 | L757-R761 VanDerWaalsContact O-CB 3.3Å; L757-R761 WeakPolarHBondContact O-CB 3.32Å; L757-R761 PolarHBondContact O-N 3.28Å; R761-E763 PolarHBondContact O-N 2.89Å; R761-E763 VanDerWaalsContact O-N 3.13Å; R761-S764 PolarHBondContact O-N 3Å; R761-G765 PolarHBondContact O-N 3.39Å; R761-D766 IonicContact CZ-OD2 3.65Å; R761-D766 IonicContact NH1-OD2 2.78Å; R761-D766 PolarHBondContact NH1-OD2 2.98Å; R761-D806 IonicContact CZ-OD1 3.87Å; R761-D806 IonicContact NE-OD1 2.74Å; R761-D806 PolarHBondContact NE-OD1 3.44Å; R761-D806 IonicContact NH2-OD1 2.8Å; R761-D806 PolarHBondContact NH2-OD1 3.19Å |
| 762 | K | 80.5 | Confident | 85 | Confident | 173 Ų | 173 | 77.5 Ų | 77.5 | 75% | 0.752 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -34.6 | 179.5 | -169.5 | 177.7 | 178.8 | -177 | 0 | 112.2 | K758 | K758-K762 WeakPolarHBondContact O-CB 3.44Å; K758-K762 PolarHBondContact O-N 3.48Å; K758-K762 VanDerWaalsContact O-N 3.16Å |
| 763 | E | 76.1 | Confident | 84.8 | Confident | 196 Ų | 196 | 76.6 Ų | 76.6 | 92% | 0.916 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -29.7 | 178.9 | -63.8 | -176.4 | 173.2 | 0 | 0 | 113.6 | R761 G765 | R761-E763 PolarHBondContact O-N 2.89Å; R761-E763 VanDerWaalsContact O-N 3.13Å; E763-G765 VanDerWaalsContact C-N 3.34Å; E763-G765 PolarHBondContact O-N 3.36Å |
| 764 | S | 71.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 81.2 Ų | 81.2 | 51% | 0.51 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.5 | -178.2 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | R761 D766 | R761-S764 PolarHBondContact O-N 3Å; S764-D766 PolarHBondContact O-N 3.43Å |
| 765 | G | 71.1 | Confident | 84.7 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | trans | 70.3 | 7.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | R761 E763 V767 | R761-G765 PolarHBondContact O-N 3.39Å; E763-G765 VanDerWaalsContact C-N 3.34Å; E763-G765 PolarHBondContact O-N 3.36Å; G765-V767 PolarHBondContact O-N 3.14Å | ||
| 766 | D | 73.8 | Confident | 84.7 | Confident | 90 Ų | 90 | 77 Ų | 77 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | trans | -64.1 | 127.3 | 180 | -80.9 | -16.5 | 0 | 0 | 0 | 111.9 | R761 S764 L768 | R761-D766 IonicContact CZ-OD2 3.65Å; R761-D766 IonicContact NH1-OD2 2.78Å; R761-D766 PolarHBondContact NH1-OD2 2.98Å; S764-D766 PolarHBondContact O-N 3.43Å; D766-L768 PolarHBondContact O-N 2.77Å; D766-L768 VanDerWaalsContact O-N 3.16Å | ||
| 767 | V | 76.3 | Confident | 84.7 | Confident | 134 Ų | 134 | 77.9 Ų | 77.9 | 81% | 0.812 | 41% | 0.411 | S | S | * | . | trans | -79.4 | 98.8 | 172.4 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | G765 T769 | G765-V767 PolarHBondContact O-N 3.14Å; V767-T769 PolarHBondContact O-N 2.93Å | ||
| 768 | L | 80.5 | Confident | 84.6 | Confident | 34 Ų | 34 | 85.7 Ų | 85.7 | 18% | 0.178 | 44% | 0.44 | C | S | . | . | trans | -75.6 | 121.1 | 177.1 | -146.2 | 79.5 | 0 | 0 | 0 | 110.9 | L757 D766 I773 Y809 | L757-L768 HydrophobicContact CB-CD2 3.58Å; L757-L768 HydrophobicContact CD1-CD2 3.62Å; L757-L768 HydrophobicContact CG-CD2 4.19Å; D766-L768 PolarHBondContact O-N 2.77Å; D766-L768 VanDerWaalsContact O-N 3.16Å; L768-I773 HydrophobicContact CD2-CD1 3.61Å; L768-I773 HydrophobicContact CD2-CG1 3.49Å; L768-I773 VanDerWaalsContact CD2-CG1 3.49Å; L768-I773 HydrophobicContact CG-CD1 4.29Å; L768-I773 HydrophobicContact CG-CG1 4.03Å; L768-Y809 HydrophobicContact CD1-CE1 4.11Å; L768-Y809 HydrophobicContact CD1-CE2 4.43Å; L768-Y809 WeakPolarHBondContact CD1-OH 3.44Å | ||
| 769 | T | 85.6 | Confident | 84.4 | Confident | 64 Ų | 64 | 86.4 Ų | 86.4 | 39% | 0.393 | 45% | 0.446 | S | S | . | . | trans | -86 | 143.8 | 177.2 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | V767 V771 Q772 I773 | V767-T769 PolarHBondContact O-N 2.93Å; T769-V771 PolarHBondContact O-N 3.05Å; T769-V771 VanDerWaalsContact O-N 3.11Å; T769-Q772 VanDerWaalsContact N-OE1 3.1Å; T769-Q772 PolarHBondContact O-N 3.07Å; T769-Q772 VanDerWaalsContact O-N 3.1Å; T769-Q772 VanDerWaalsContact OG1-CD 3.22Å; T769-Q772 VanDerWaalsContact OG1-CG 3.22Å; T769-Q772 WeakPolarHBondContact OG1-CG 3.44Å; T769-Q772 PolarHBondContact OG1-N 2.66Å; T769-Q772 PolarHBondContact OG1-OE1 3.41Å; T769-I773 PolarHBondContact O-N 2.89Å | ||
| 770 | K | 86.2 | Confident | 84.3 | Confident | 139 Ų | 139 | 84 Ų | 84 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.6 | -29 | 175.4 | -72 | -172.3 | 175.8 | -178 | 0 | 113.3 | K774 | K770-K774 WeakPolarHBondContact O-CG 3.21Å; K770-K774 PolarHBondContact O-N 3.27Å; K770-K774 VanDerWaalsContact O-N 3.1Å |
| 771 | V | 89.2 | Confident | 84.4 | Confident | 113 Ų | 113 | 82.5 Ų | 82.5 | 69% | 0.685 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.9 | -45.1 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | T769 I773 K774 E775 | T769-V771 PolarHBondContact O-N 3.05Å; T769-V771 VanDerWaalsContact O-N 3.11Å; V771-I773 VanDerWaalsContact C-N 3.34Å; V771-I773 PolarHBondContact O-N 3.46Å; V771-K774 PolarHBondContact O-N 2.95Å; V771-E775 PolarHBondContact O-N 3.45Å |
| 772 | Q | 89.4 | Confident | 84.7 | Confident | 88 Ų | 88 | 82 Ų | 82 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.6 | -74.6 | 164.8 | -42.5 | 0 | 0 | 111.8 | T769 E775 F776 | T769-Q772 VanDerWaalsContact N-OE1 3.1Å; T769-Q772 PolarHBondContact O-N 3.07Å; T769-Q772 VanDerWaalsContact O-N 3.1Å; T769-Q772 VanDerWaalsContact OG1-CD 3.22Å; T769-Q772 VanDerWaalsContact OG1-CG 3.22Å; T769-Q772 WeakPolarHBondContact OG1-CG 3.44Å; T769-Q772 PolarHBondContact OG1-N 2.66Å; T769-Q772 PolarHBondContact OG1-OE1 3.41Å; Q772-E775 PolarHBondContact O-N 3.16Å; Q772-F776 WeakPolarHBondContact O-CB 3.29Å; Q772-F776 PolarHBondContact O-N 3.07Å |
| 773 | I | 89.6 | Confident | 85.1 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -48.8 | 177.9 | -59 | 170.8 | 0 | 0 | 0 | 110.7 | I753 E754 L768 T769 V771 E775 F776 I777 | I753-I773 HydrophobicContact CB-CG2 4.41Å; I753-I773 HydrophobicContact CG2-CG2 4.1Å; E754-I773 HydrophobicContact CB-CD1 3.89Å; E754-I773 HydrophobicContact CG-CD1 3.85Å; L768-I773 HydrophobicContact CD2-CD1 3.61Å; L768-I773 HydrophobicContact CD2-CG1 3.49Å; L768-I773 VanDerWaalsContact CD2-CG1 3.49Å; L768-I773 HydrophobicContact CG-CD1 4.29Å; L768-I773 HydrophobicContact CG-CG1 4.03Å; T769-I773 PolarHBondContact O-N 2.89Å; V771-I773 VanDerWaalsContact C-N 3.34Å; V771-I773 PolarHBondContact O-N 3.46Å; I773-E775 VanDerWaalsContact C-N 3.29Å; I773-E775 PolarHBondContact O-N 3.07Å; I773-F776 PolarHBondContact O-N 2.94Å; I773-I777 HydrophobicContact CG2-CD1 3.91Å; I773-I777 WeakPolarHBondContact O-CG1 3.38Å; I773-I777 PolarHBondContact O-N 2.73Å |
| 774 | K | 91.3 | Very high | 85.7 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 177.7 | -75.3 | 173.8 | -171.5 | -91.1 | 0 | 111.7 | E750 K770 V771 I777 R778 | E750-K774 HydrophobicContact CG-CG 4.19Å; E750-K774 WeakPolarHBondContact OE1-CE 3.4Å; E750-K774 IonicContact OE1-NZ 2.88Å; E750-K774 PolarHBondContact OE1-NZ 3.36Å; E750-K774 VanDerWaalsContact OE2-CE 3.24Å; E750-K774 WeakPolarHBondContact OE2-CE 3.24Å; E750-K774 IonicContact OE2-NZ 3.35Å; E750-K774 PolarHBondContact OE2-NZ 2.92Å; K770-K774 WeakPolarHBondContact O-CG 3.21Å; K770-K774 PolarHBondContact O-N 3.27Å; K770-K774 VanDerWaalsContact O-N 3.1Å; V771-K774 PolarHBondContact O-N 2.95Å; K774-I777 PolarHBondContact O-N 3Å; K774-R778 VanDerWaalsContact O-CB 3.29Å; K774-R778 WeakPolarHBondContact O-CB 3.16Å; K774-R778 PolarHBondContact O-N 3.46Å |
| 775 | E | 91.2 | Very high | 86.6 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | -179.6 | -164.6 | 61.4 | -171.9 | 0 | 0 | 112.2 | V771 Q772 I773 I777 R778 Q779 | V771-E775 PolarHBondContact O-N 3.45Å; Q772-E775 PolarHBondContact O-N 3.16Å; I773-E775 VanDerWaalsContact C-N 3.29Å; I773-E775 PolarHBondContact O-N 3.07Å; E775-I777 PolarHBondContact O-N 2.97Å; E775-R778 VanDerWaalsContact CD-NH2 3.3Å; E775-R778 PolarHBondContact O-N 3.34Å; E775-R778 IonicContact OE1-CZ 2.64Å; E775-R778 IonicContact OE1-NE 3.75Å; E775-R778 IonicContact OE1-NH2 3.74Å; E775-R778 PolarHBondContact OE1-NH2 3Å; E775-R778 IonicContact OE2-CZ 2.72Å; E775-R778 IonicContact OE2-NE 3.72Å; E775-R778 PolarHBondContact OE2-NE 3.08Å; E775-R778 IonicContact OE2-NH2 2.67Å; E775-R778 PolarHBondContact OE2-NH2 3.31Å; E775-Q779 HydrophobicContact CG-CG 4.13Å; E775-Q779 WeakPolarHBondContact O-CB 3.42Å; E775-Q779 PolarHBondContact O-N 3.47Å; E775-Q779 VanDerWaalsContact OE1-CG 3.29Å; E775-Q779 WeakPolarHBondContact OE1-CG 3.24Å; E775-Q779 PolarHBondContact OE1-NE2 2.93Å |
| 776 | F | 92.2 | Very high | 87.6 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 172.2 | 170.7 | -118.9 | 0 | 0 | 0 | 111.8 | I753 Q772 I773 C780 L781 I805 M808 Y809 | I753-F776 HydrophobicContact CG2-CD1 4.05Å; I753-F776 HydrophobicContact CG2-CE1 4.06Å; Q772-F776 WeakPolarHBondContact O-CB 3.29Å; Q772-F776 PolarHBondContact O-N 3.07Å; I773-F776 PolarHBondContact O-N 2.94Å; F776-C780 HydrophobicContact CD2-CB 3.81Å; F776-C780 HydrophobicContact CE2-CB 3.83Å; F776-C780 VanDerWaalsContact O-CB 3.27Å; F776-C780 WeakPolarHBondContact O-CB 3.47Å; F776-C780 PolarHBondContact O-N 3.5Å; F776-L781 HydrophobicContact CD1-CD1 4.07Å; F776-L781 HydrophobicContact CE1-CD1 3.35Å; F776-L781 HydrophobicContact CE1-CG 4.03Å; F776-L781 HydrophobicContact CE2-CG 4.39Å; F776-L781 HydrophobicContact CZ-CD1 3.65Å; F776-L781 HydrophobicContact CZ-CD2 4.46Å; F776-L781 HydrophobicContact CZ-CG 3.85Å; F776-L781 PolarHBondContact O-N 3.18Å; F776-I805 HydrophobicContact CE1-CG2 4.3Å; F776-M808 HydrophobicContact CE2-CB 4.18Å; F776-M808 WeakPolarHBondContact CE2-O 3.36Å; F776-M808 HydrophobicContact CZ-CB 3.97Å; F776-Y809 HydrophobicContact CB-CD2 3.93Å; F776-Y809 HydrophobicContact CB-CE2 4.16Å; F776-Y809 AromaticContact CD1-CD2 3.85Å; F776-Y809 HydrophobicContact CD1-CD2 3.85Å; F776-Y809 AromaticContact CD2-CD2 3.98Å; F776-Y809 HydrophobicContact CD2-CD2 3.98Å; F776-Y809 HydrophobicContact CE1-CD2 4.33Å; F776-Y809 HydrophobicContact CE2-CD2 4.47Å; F776-Y809 AromaticContact CG-CD2 3.64Å; F776-Y809 HydrophobicContact CG-CD2 3.64Å; F776-Y809 HydrophobicContact CG-CE2 4.37Å |
| 777 | I | 91.5 | Very high | 88.5 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -61.9 | -45.7 | 175.9 | -66 | 168.9 | 0 | 0 | 0 | 110.4 | E750 I753 I773 K774 E775 K782 V786 | E750-I777 HydrophobicContact CG-CD1 4.15Å; I753-I777 HydrophobicContact CB-CD1 4.06Å; I753-I777 HydrophobicContact CB-CG1 4.39Å; I753-I777 HydrophobicContact CG1-CD1 3.97Å; I753-I777 HydrophobicContact CG1-CG1 4.05Å; I753-I777 HydrophobicContact CG2-CD1 4.46Å; I753-I777 HydrophobicContact CG2-CG1 4.4Å; I773-I777 HydrophobicContact CG2-CD1 3.91Å; I773-I777 WeakPolarHBondContact O-CG1 3.38Å; I773-I777 PolarHBondContact O-N 2.73Å; K774-I777 PolarHBondContact O-N 3Å; E775-I777 PolarHBondContact O-N 2.97Å; I777-K782 VanDerWaalsContact O-CA 3.3Å; I777-K782 WeakPolarHBondContact O-CA 3.38Å; I777-K782 PolarHBondContact O-N 3.4Å; I777-V786 HydrophobicContact CG2-CG2 4.27Å |
| 778 | R | 88.9 | Confident | 89.1 | Confident | 166 Ų | 166 | 48.3 Ų | 48.3 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -69.8 | -41.2 | -174.7 | -170.3 | 176.2 | 73 | 120.5 | 3.3 | 113.6 | K774 E775 | K774-R778 VanDerWaalsContact O-CB 3.29Å; K774-R778 WeakPolarHBondContact O-CB 3.16Å; K774-R778 PolarHBondContact O-N 3.46Å; E775-R778 VanDerWaalsContact CD-NH2 3.3Å; E775-R778 PolarHBondContact O-N 3.34Å; E775-R778 IonicContact OE1-CZ 2.64Å; E775-R778 IonicContact OE1-NE 3.75Å; E775-R778 IonicContact OE1-NH2 3.74Å; E775-R778 PolarHBondContact OE1-NH2 3Å; E775-R778 IonicContact OE2-CZ 2.72Å; E775-R778 IonicContact OE2-NE 3.72Å; E775-R778 PolarHBondContact OE2-NE 3.08Å; E775-R778 IonicContact OE2-NH2 2.67Å; E775-R778 PolarHBondContact OE2-NH2 3.31Å |
| 779 | Q | 86.7 | Confident | 89.6 | Confident | 134 Ų | 134 | 46.7 Ų | 46.7 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | I | π-helix | trans | -87.9 | -41.7 | -175.3 | -66.6 | -164.9 | -6.7 | 0 | 0 | 113 | E775 | E775-Q779 HydrophobicContact CG-CG 4.13Å; E775-Q779 WeakPolarHBondContact O-CB 3.42Å; E775-Q779 PolarHBondContact O-N 3.47Å; E775-Q779 VanDerWaalsContact OE1-CG 3.29Å; E775-Q779 WeakPolarHBondContact OE1-CG 3.24Å; E775-Q779 PolarHBondContact OE1-NE2 2.93Å |
| 780 | C | 87.3 | Confident | 89.9 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -99.4 | -57.7 | -169.4 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | F776 | F776-C780 HydrophobicContact CD2-CB 3.81Å; F776-C780 HydrophobicContact CE2-CB 3.83Å; F776-C780 VanDerWaalsContact O-CB 3.27Å; F776-C780 WeakPolarHBondContact O-CB 3.47Å; F776-C780 PolarHBondContact O-N 3.5Å |
| 781 | L | 89.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -83.9 | -45.9 | -171 | -71.6 | 173.9 | 0 | 0 | 0 | 113.3 | I608 I753 F776 G785 V786 I789 M808 | I608-L781 WeakPolarHBondContact CD1-O 3.24Å; I753-L781 HydrophobicContact CD1-CD1 3.79Å; I753-L781 HydrophobicContact CG1-CD1 4.32Å; F776-L781 HydrophobicContact CD1-CD1 4.07Å; F776-L781 HydrophobicContact CE1-CD1 3.35Å; F776-L781 HydrophobicContact CE1-CG 4.03Å; F776-L781 HydrophobicContact CE2-CG 4.39Å; F776-L781 HydrophobicContact CZ-CD1 3.65Å; F776-L781 HydrophobicContact CZ-CD2 4.46Å; F776-L781 HydrophobicContact CZ-CG 3.85Å; F776-L781 PolarHBondContact O-N 3.18Å; L781-G785 WeakPolarHBondContact O-CA 3.46Å; L781-G785 PolarHBondContact O-N 3.29Å; L781-V786 HydrophobicContact CB-CG2 4.18Å; L781-V786 HydrophobicContact CD1-CG2 4.27Å; L781-I789 HydrophobicContact CD1-CD1 4.13Å; L781-I789 HydrophobicContact CD2-CD1 3.49Å; L781-I789 VanDerWaalsContact CD2-CD1 3.49Å; L781-I789 HydrophobicContact CG-CD1 4.49Å; L781-M808 HydrophobicContact CD2-CE 3.47Å; L781-M808 VanDerWaalsContact CD2-CE 3.47Å; L781-M808 HydrophobicContact CD2-SD 3.9Å; L781-M808 HydrophobicContact CG-CE 4.47Å |
| 782 | K | 89.5 | Confident | 90 | Very high | 30 Ų | 30 | 33 Ų | 33 | 13% | 0.13 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | 51.6 | 175.3 | -164.1 | -55.5 | -169 | -177.9 | -174.9 | 0 | 111.6 | I608 T612 I777 D784 G785 V786 | I608-K782 HydrophobicContact CG2-CD 3.66Å; I608-K782 HydrophobicContact CG2-CG 4.05Å; T612-K782 VanDerWaalsContact CG2-NZ 3.35Å; T612-K782 PolarHBondContact OG1-NZ 2.88Å; I777-K782 VanDerWaalsContact O-CA 3.3Å; I777-K782 WeakPolarHBondContact O-CA 3.38Å; I777-K782 PolarHBondContact O-N 3.4Å; K782-D784 VanDerWaalsContact C-N 3.28Å; K782-D784 PolarHBondContact O-N 2.97Å; K782-G785 PolarHBondContact O-N 3.39Å; K782-V786 PolarHBondContact O-N 3.01Å; K782-V786 VanDerWaalsContact O-N 3.15Å |
| 783 | P | 89.6 | Confident | 89.9 | Confident | 17 Ų | 17 | 31.3 Ų | 31.3 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -33.6 | -178.4 | -30.7 | 41.2 | 0 | 0 | 0 | 114 | G627 R628 G785 V786 L787 | G627-P783 WeakPolarHBondContact O-CD 3.36Å; R628-P783 HydrophobicContact CG-CB 3.78Å; R628-P783 HydrophobicContact CG-CG 3.56Å; P783-G785 VanDerWaalsContact C-N 3.35Å; P783-G785 PolarHBondContact O-N 3.12Å; P783-V786 PolarHBondContact O-N 3.15Å; P783-L787 WeakPolarHBondContact O-CB 3.47Å; P783-L787 PolarHBondContact O-N 3.34Å |
| 784 | D | 89.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.9 | -77.1 | -3.7 | 0 | 0 | 0 | 112.5 | F573 R611 G627 R628 Q629 L630 N631 K782 L788 | F573-D784 HydrophobicContact CE2-CB 3.8Å; F573-D784 HydrophobicContact CZ-CB 3.95Å; R611-D784 IonicContact CZ-OD2 2.93Å; R611-D784 IonicContact NH1-OD2 2.72Å; R611-D784 PolarHBondContact NH1-OD2 2.8Å; R611-D784 IonicContact NH2-OD2 3.75Å; R611-D784 PolarHBondContact NH2-OD2 3.48Å; G627-D784 VanDerWaalsContact C-CG 3.41Å; G627-D784 VanDerWaalsContact O-CB 3.27Å; G627-D784 WeakPolarHBondContact O-CB 3.3Å; G627-D784 PolarHBondContact O-N 3.5Å; R628-D784 VanDerWaalsContact CA-OD1 3.27Å; R628-D784 WeakPolarHBondContact CA-OD1 3.45Å; Q629-D784 PolarHBondContact N-OD1 3.47Å; Q629-D784 VanDerWaalsContact N-OD1 3.11Å; Q629-D784 PolarHBondContact N-OD2 3.05Å; L630-D784 WeakPolarHBondContact CA-OD1 3.3Å; L630-D784 HydrophobicContact CB-CB 4.22Å; L630-D784 WeakPolarHBondContact CB-OD1 3.45Å; L630-D784 PolarHBondContact N-OD1 2.79Å; L630-D784 PolarHBondContact N-OD2 2.73Å; N631-D784 PolarHBondContact N-OD1 2.68Å; K782-D784 VanDerWaalsContact C-N 3.28Å; K782-D784 PolarHBondContact O-N 2.97Å; D784-L788 WeakPolarHBondContact O-CB 3.35Å; D784-L788 PolarHBondContact O-N 3.37Å |
| 785 | G | 90.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.2 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L781 K782 P783 L788 I789 | L781-G785 WeakPolarHBondContact O-CA 3.46Å; L781-G785 PolarHBondContact O-N 3.29Å; K782-G785 PolarHBondContact O-N 3.39Å; P783-G785 VanDerWaalsContact C-N 3.35Å; P783-G785 PolarHBondContact O-N 3.12Å; G785-L788 PolarHBondContact O-N 3.29Å; G785-I789 WeakPolarHBondContact O-CG1 2.83Å; G785-I789 PolarHBondContact O-N 3.41Å |
| 786 | V | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | D749 F752 I753 I777 L781 K782 P783 L788 I789 R790 | D749-V786 HydrophobicContact CB-CG1 4.03Å; D749-V786 HydrophobicContact CB-CG2 4.44Å; D749-V786 WeakPolarHBondContact OD1-CG1 3.41Å; F752-V786 HydrophobicContact CD1-CG1 3.89Å; F752-V786 HydrophobicContact CE1-CG1 4.38Å; I753-V786 HydrophobicContact CD1-CG2 4.4Å; I753-V786 HydrophobicContact CG1-CG2 4.32Å; I777-V786 HydrophobicContact CG2-CG2 4.27Å; L781-V786 HydrophobicContact CB-CG2 4.18Å; L781-V786 HydrophobicContact CD1-CG2 4.27Å; K782-V786 PolarHBondContact O-N 3.01Å; K782-V786 VanDerWaalsContact O-N 3.15Å; P783-V786 PolarHBondContact O-N 3.15Å; V786-L788 VanDerWaalsContact C-N 3.34Å; V786-L788 PolarHBondContact O-N 3.02Å; V786-I789 PolarHBondContact O-N 3.18Å; V786-R790 WeakPolarHBondContact O-CG 3.37Å; V786-R790 PolarHBondContact O-N 3.28Å |
| 787 | L | 91.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 176 | 178.6 | 62.5 | 0 | 0 | 0 | 112.1 | L630 N631 Y634 W739 P783 I789 R790 F791 | L630-L787 HydrophobicContact CD2-CD2 4.48Å; L630-L787 HydrophobicContact CG-CD2 4.2Å; N631-L787 HydrophobicContact CB-CD2 4.1Å; Y634-L787 HydrophobicContact CD1-CD1 4.29Å; Y634-L787 HydrophobicContact CD1-CD2 4.4Å; Y634-L787 HydrophobicContact CG-CD2 4.4Å; W739-L787 HydrophobicContact CH2-CD1 4.28Å; W739-L787 HydrophobicContact CZ3-CD1 3.79Å; P783-L787 WeakPolarHBondContact O-CB 3.47Å; P783-L787 PolarHBondContact O-N 3.34Å; L787-I789 VanDerWaalsContact C-N 3.29Å; L787-I789 PolarHBondContact O-N 3.49Å; L787-R790 WeakPolarHBondContact O-CB 3.23Å; L787-R790 PolarHBondContact O-N 2.98Å; L787-F791 HydrophobicContact CD1-CE1 3.99Å; L787-F791 HydrophobicContact CD1-CE2 3.93Å; L787-F791 HydrophobicContact CD1-CZ 3.63Å; L787-F791 HydrophobicContact CD2-CE2 3.96Å; L787-F791 HydrophobicContact CD2-CZ 4.11Å; L787-F791 HydrophobicContact CG-CD2 4.18Å; L787-F791 HydrophobicContact CG-CE2 3.6Å; L787-F791 HydrophobicContact CG-CZ 3.82Å; L787-F791 WeakPolarHBondContact O-CD2 3.49Å; L787-F791 PolarHBondContact O-N 2.91Å |
| 788 | L | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 177.4 | -179.4 | 61.1 | 0 | 0 | 0 | 112 | F573 L575 I578 I604 D784 G785 V786 F791 I792 | F573-L788 HydrophobicContact CD1-CD2 4.2Å; F573-L788 HydrophobicContact CE1-CD2 4.09Å; L575-L788 HydrophobicContact CD1-CD1 3.22Å; I578-L788 HydrophobicContact CG2-CD1 4.3Å; I604-L788 HydrophobicContact CD1-CD2 3.49Å; I604-L788 VanDerWaalsContact CD1-CD2 3.49Å; I604-L788 HydrophobicContact CD1-CG 4.17Å; I604-L788 HydrophobicContact CG1-CD2 3.46Å; I604-L788 VanDerWaalsContact CG1-CD2 3.46Å; D784-L788 WeakPolarHBondContact O-CB 3.35Å; D784-L788 PolarHBondContact O-N 3.37Å; G785-L788 PolarHBondContact O-N 3.29Å; V786-L788 VanDerWaalsContact C-N 3.34Å; V786-L788 PolarHBondContact O-N 3.02Å; L788-F791 PolarHBondContact O-N 3.15Å; L788-I792 HydrophobicContact CG-CD1 4.35Å; L788-I792 WeakPolarHBondContact O-CG1 3.24Å; L788-I792 PolarHBondContact O-N 2.9Å |
| 789 | I | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | 176.2 | -66.4 | 169.6 | 0 | 0 | 0 | 111.3 | F752 L781 G785 V786 L787 F791 I792 E793 A801 L804 I805 | F752-I789 HydrophobicContact CE1-CB 4.49Å; F752-I789 HydrophobicContact CE1-CG2 4Å; F752-I789 HydrophobicContact CZ-CG2 4.25Å; L781-I789 HydrophobicContact CD1-CD1 4.13Å; L781-I789 HydrophobicContact CD2-CD1 3.49Å; L781-I789 VanDerWaalsContact CD2-CD1 3.49Å; L781-I789 HydrophobicContact CG-CD1 4.49Å; G785-I789 WeakPolarHBondContact O-CG1 2.83Å; G785-I789 PolarHBondContact O-N 3.41Å; V786-I789 PolarHBondContact O-N 3.18Å; L787-I789 VanDerWaalsContact C-N 3.29Å; L787-I789 PolarHBondContact O-N 3.49Å; I789-F791 VanDerWaalsContact C-N 3.26Å; I789-F791 PolarHBondContact O-N 3.45Å; I789-I792 WeakPolarHBondContact O-CB 3.45Å; I789-I792 PolarHBondContact O-N 2.82Å; I789-E793 PolarHBondContact O-N 3.14Å; I789-A801 HydrophobicContact CG2-CB 4.09Å; I789-L804 HydrophobicContact CG1-CD2 4.26Å; I789-I805 HydrophobicContact CD1-CG1 3.89Å; I789-I805 HydrophobicContact CG2-CD1 3.82Å; I789-I805 HydrophobicContact CG2-CG1 3.95Å |
| 790 | R | 91.1 | Very high | 88 | Confident | 25 Ų | 25 | 23.2 Ų | 23.2 | 9% | 0.094 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.2 | -38.8 | 171.8 | -68.3 | 176 | -174.2 | -99.8 | 5.4 | 111.9 | F748 D749 F752 V786 L787 N794 | F748-R790 PolarHBondContact O-NH2 3.27Å; D749-R790 IonicContact OD1-CZ 3.89Å; D749-R790 IonicContact OD1-NE 3.37Å; D749-R790 IonicContact OD1-NH2 3.9Å; D749-R790 PolarHBondContact OD1-NH2 2.91Å; F752-R790 HydrophobicContact CD1-CG 4.24Å; F752-R790 HydrophobicContact CE1-CG 3.78Å; F752-R790 HydrophobicContact CE2-CG 4.14Å; F752-R790 HydrophobicContact CZ-CG 3.73Å; V786-R790 WeakPolarHBondContact O-CG 3.37Å; V786-R790 PolarHBondContact O-N 3.28Å; L787-R790 WeakPolarHBondContact O-CB 3.23Å; L787-R790 PolarHBondContact O-N 2.98Å; R790-N794 PolarHBondContact O-N 3.47Å; R790-N794 VanDerWaalsContact O-N 3.1Å; R790-N794 PolarHBondContact O-ND2 3.16Å |
| 791 | F | 89.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 173.7 | -65.9 | -37.4 | 0 | 0 | 0 | 112.4 | W564 L575 L579 Y634 L787 L788 I789 N794 C795 | W564-F791 HydrophobicContact CH2-CE2 4.17Å; W564-F791 HydrophobicContact CH2-CZ 4.27Å; W564-F791 HydrophobicContact CZ2-CE2 4.12Å; W564-F791 HydrophobicContact CZ2-CZ 4.13Å; L575-F791 HydrophobicContact CD1-CD2 3.76Å; L575-F791 HydrophobicContact CD1-CE2 4.42Å; L575-F791 HydrophobicContact CD2-CD2 3.91Å; L575-F791 HydrophobicContact CD2-CE2 3.86Å; L575-F791 HydrophobicContact CG-CD2 4.45Å; L579-F791 HydrophobicContact CD1-CB 4.11Å; L579-F791 HydrophobicContact CD2-CB 3.81Å; Y634-F791 HydrophobicContact CD1-CZ 4.2Å; Y634-F791 AromaticContact CD2-CZ 3.85Å; Y634-F791 HydrophobicContact CD2-CZ 3.85Å; Y634-F791 HydrophobicContact CE1-CE1 4.16Å; Y634-F791 HydrophobicContact CE1-CZ 4.08Å; Y634-F791 AromaticContact CE2-CE1 3.98Å; Y634-F791 HydrophobicContact CE2-CE1 3.98Å; Y634-F791 AromaticContact CE2-CZ 3.69Å; Y634-F791 HydrophobicContact CE2-CZ 3.69Å; Y634-F791 HydrophobicContact CG-CZ 4.08Å; Y634-F791 AromaticContact CZ-CE1 3.74Å; Y634-F791 AromaticContact CZ-CZ 3.81Å; L787-F791 HydrophobicContact CD1-CE1 3.99Å; L787-F791 HydrophobicContact CD1-CE2 3.93Å; L787-F791 HydrophobicContact CD1-CZ 3.63Å; L787-F791 HydrophobicContact CD2-CE2 3.96Å; L787-F791 HydrophobicContact CD2-CZ 4.11Å; L787-F791 HydrophobicContact CG-CD2 4.18Å; L787-F791 HydrophobicContact CG-CE2 3.6Å; L787-F791 HydrophobicContact CG-CZ 3.82Å; L787-F791 WeakPolarHBondContact O-CD2 3.49Å; L787-F791 PolarHBondContact O-N 2.91Å; L788-F791 PolarHBondContact O-N 3.15Å; I789-F791 VanDerWaalsContact C-N 3.26Å; I789-F791 PolarHBondContact O-N 3.45Å; F791-N794 PolarHBondContact O-N 3.28Å; F791-C795 WeakPolarHBondContact O-CB 3.4Å; F791-C795 PolarHBondContact O-N 3.19Å |
| 792 | I | 87.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 176.2 | -70.6 | 166.1 | 0 | 0 | 0 | 110.8 | I578 L579 A582 I600 L788 I789 C795 A796 L800 L804 | I578-I792 HydrophobicContact CG2-CD1 4.39Å; L579-I792 HydrophobicContact CD2-CB 4.43Å; L579-I792 HydrophobicContact CD2-CG1 3.74Å; A582-I792 HydrophobicContact CB-CG1 4.28Å; A582-I792 HydrophobicContact CB-CG2 4.07Å; I600-I792 HydrophobicContact CG2-CD1 3.99Å; L788-I792 HydrophobicContact CG-CD1 4.35Å; L788-I792 WeakPolarHBondContact O-CG1 3.24Å; L788-I792 PolarHBondContact O-N 2.9Å; I789-I792 WeakPolarHBondContact O-CB 3.45Å; I789-I792 PolarHBondContact O-N 2.82Å; I792-C795 PolarHBondContact O-N 3.43Å; I792-A796 WeakPolarHBondContact O-CB 3.36Å; I792-A796 PolarHBondContact O-N 3.04Å; I792-L800 HydrophobicContact CG2-CD2 4.06Å; I792-L800 HydrophobicContact CG2-CG 4.38Å; I792-L804 HydrophobicContact CD1-CD2 3.69Å |
| 793 | E | 88.1 | Confident | 88.2 | Confident | 52 Ų | 52 | 23.6 Ų | 23.6 | 24% | 0.243 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -50.2 | 176 | -175.9 | -168.6 | -167.4 | 0 | 0 | 111.3 | F752 H756 I789 C795 A801 | F752-E793 WeakPolarHBondContact CE2-OE2 3.36Å; F752-E793 WeakPolarHBondContact CZ-OE2 3.43Å; H756-E793 IonicContact CE1-OE1 2.87Å; H756-E793 IonicContact NE2-OE1 3.95Å; I789-E793 PolarHBondContact O-N 3.14Å; E793-C795 VanDerWaalsContact C-N 3.34Å; E793-C795 PolarHBondContact O-N 2.94Å; E793-A801 HydrophobicContact CB-CB 3.86Å; E793-A801 HydrophobicContact CG-CB 4.35Å |
| 794 | N | 85.4 | Confident | 88.3 | Confident | 116 Ų | 116 | 22.9 Ų | 22.9 | 62% | 0.62 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -66.5 | -33.1 | 179.7 | -73.7 | -23.8 | 0 | 0 | 0 | 113.3 | R790 F791 | R790-N794 PolarHBondContact O-N 3.47Å; R790-N794 VanDerWaalsContact O-N 3.1Å; R790-N794 PolarHBondContact O-ND2 3.16Å; F791-N794 PolarHBondContact O-N 3.28Å |
| 795 | C | 81.4 | Confident | 88.5 | Confident | 18 Ų | 18 | 22.9 Ų | 22.9 | 12% | 0.122 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -84.2 | -40.2 | -175.7 | 169.4 | 0 | 0 | 0 | 0 | 113.6 | P460 L579 F791 I792 E793 | P460-C795 HydrophobicContact CB-CB 3.66Å; P460-C795 WeakPolarHBondContact CB-SG 3.27Å; L579-C795 HydrophobicContact CD2-CB 4.02Å; L579-C795 PolarHBondContact O-SG 3.36Å; L579-C795 VanDerWaalsContact O-SG 3.36Å; F791-C795 WeakPolarHBondContact O-CB 3.4Å; F791-C795 PolarHBondContact O-N 3.19Å; I792-C795 PolarHBondContact O-N 3.43Å; E793-C795 VanDerWaalsContact C-N 3.34Å; E793-C795 PolarHBondContact O-N 2.94Å |
| 796 | A | 80.7 | Confident | 88.6 | Confident | 23 Ų | 23 | 23.5 Ų | 23.5 | 19% | 0.19 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -80.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A582 S586 I792 L800 | A582-A796 HydrophobicContact CB-CB 4.15Å; A582-A796 WeakPolarHBondContact O-CB 3.37Å; S586-A796 PolarHBondContact OG-O 3.28Å; I792-A796 WeakPolarHBondContact O-CB 3.36Å; I792-A796 PolarHBondContact O-N 3.04Å; A796-L800 HydrophobicContact CB-CD2 3.7Å |
| 797 | S | 83.7 | Confident | 88.5 | Confident | 32 Ų | 32 | 26.8 Ų | 26.8 | 22% | 0.224 | 15% | 0.147 | C | C | . | . | trans | -169.7 | 155.8 | 174.4 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | S586 V799 L800 A801 | S586-S797 PolarHBondContact OG-OG 2.92Å; S586-S797 VanDerWaalsContact OG-OG 3.13Å; S797-V799 PolarHBondContact O-N 3.03Å; S797-L800 PolarHBondContact O-N 2.91Å; S797-L800 PolarHBondContact OG-N 2.77Å; S797-A801 PolarHBondContact O-N 3.35Å | ||
| 798 | D | 86.4 | Confident | 88.4 | Confident | 55 Ų | 55 | 26.8 Ų | 26.8 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -54.8 | -39.8 | 170.6 | -176.2 | 0.8 | 0 | 0 | 0 | 111.8 | H756 L800 A801 T802 | H756-D798 IonicContact CE1-OD1 2.97Å; H756-D798 PolarHBondContact CE1-OD1 2.89Å; H756-D798 IonicContact ND1-OD1 2.75Å; H756-D798 PolarHBondContact ND1-OD1 3.44Å; D798-L800 PolarHBondContact O-N 3.16Å; D798-A801 PolarHBondContact O-N 3.2Å; D798-T802 WeakPolarHBondContact O-CB 3.4Å; D798-T802 PolarHBondContact O-N 2.89Å; D798-T802 PolarHBondContact O-OG1 3.23Å; D798-T802 PolarHBondContact OD1-OG1 3.33Å |
| 799 | V | 86 | Confident | 88.5 | Confident | 85 Ų | 85 | 29.1 Ų | 29.1 | 52% | 0.515 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 179.3 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | S797 T802 D803 | S797-V799 PolarHBondContact O-N 3.03Å; V799-T802 PolarHBondContact O-N 3.32Å; V799-D803 PolarHBondContact O-N 3.05Å |
| 800 | L | 86.7 | Confident | 88.3 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.5 | -40.7 | 179.2 | -176 | 69.6 | 0 | 0 | 0 | 111.7 | A582 K593 I597 I792 A796 S797 D798 T802 L804 | A582-L800 HydrophobicContact CB-CD2 3.81Å; A582-L800 WeakPolarHBondContact O-CD2 3.08Å; K593-L800 HydrophobicContact CD-CD1 4.36Å; K593-L800 HydrophobicContact CG-CD1 3.78Å; I597-L800 HydrophobicContact CD1-CD1 4.14Å; I597-L800 HydrophobicContact CG1-CD1 3.93Å; I792-L800 HydrophobicContact CG2-CD2 4.06Å; I792-L800 HydrophobicContact CG2-CG 4.38Å; A796-L800 HydrophobicContact CB-CD2 3.7Å; S797-L800 PolarHBondContact O-N 2.91Å; S797-L800 PolarHBondContact OG-N 2.77Å; D798-L800 PolarHBondContact O-N 3.16Å; L800-T802 VanDerWaalsContact C-N 3.35Å; L800-L804 VanDerWaalsContact O-CB 3.26Å; L800-L804 WeakPolarHBondContact O-CB 2.98Å; L800-L804 PolarHBondContact O-N 3.07Å |
| 801 | A | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I789 E793 S797 D798 L804 I805 | I789-A801 HydrophobicContact CG2-CB 4.09Å; E793-A801 HydrophobicContact CB-CB 3.86Å; E793-A801 HydrophobicContact CG-CB 4.35Å; S797-A801 PolarHBondContact O-N 3.35Å; D798-A801 PolarHBondContact O-N 3.2Å; A801-L804 PolarHBondContact O-N 3.36Å; A801-I805 VanDerWaalsContact O-CG1 3.25Å; A801-I805 WeakPolarHBondContact O-CG1 3.15Å; A801-I805 PolarHBondContact O-N 2.96Å |
| 802 | T | 91.7 | Very high | 88.1 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -50.1 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 112 | H756 L759 A760 D798 V799 L800 L804 I805 D806 | H756-T802 PolarHBondContact ND1-OG1 3.2Å; L759-T802 HydrophobicContact CB-CG2 4.26Å; L759-T802 HydrophobicContact CD2-CG2 4.34Å; L759-T802 HydrophobicContact CG-CG2 4.28Å; A760-T802 HydrophobicContact CB-CG2 3.63Å; D798-T802 WeakPolarHBondContact O-CB 3.4Å; D798-T802 PolarHBondContact O-N 2.89Å; D798-T802 PolarHBondContact O-OG1 3.23Å; D798-T802 PolarHBondContact OD1-OG1 3.33Å; V799-T802 PolarHBondContact O-N 3.32Å; L800-T802 VanDerWaalsContact C-N 3.35Å; T802-L804 PolarHBondContact O-N 3.03Å; T802-I805 PolarHBondContact O-N 2.94Å; T802-D806 PolarHBondContact O-N 2.9Å |
| 803 | D | 90.2 | Very high | 88.1 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 32% | 0.316 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.3 | -36.5 | 179.4 | -68 | -17.2 | 0 | 0 | 0 | 112.5 | K593 I597 V799 D806 H807 | K593-D803 WeakPolarHBondContact CE-OD2 2.97Å; K593-D803 IonicContact NZ-OD2 2.67Å; K593-D803 PolarHBondContact NZ-OD2 3.1Å; I597-D803 HydrophobicContact CD1-CB 3.67Å; V799-D803 PolarHBondContact O-N 3.05Å; D803-D806 PolarHBondContact O-N 3.32Å; D803-H807 VanDerWaalsContact O-CB 3.27Å; D803-H807 WeakPolarHBondContact O-CB 3.47Å; D803-H807 PolarHBondContact O-N 3.19Å |
| 804 | L | 91.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.7 | 177.2 | 64.1 | 0 | 0 | 0 | 111.3 | I597 I600 I789 I792 L800 A801 T802 H807 M808 | I597-L804 HydrophobicContact CG2-CD1 3.98Å; I600-L804 HydrophobicContact CB-CD1 4.3Å; I600-L804 HydrophobicContact CG2-CD1 4.06Å; I600-L804 HydrophobicContact CG2-CD2 3.78Å; I789-L804 HydrophobicContact CG1-CD2 4.26Å; I792-L804 HydrophobicContact CD1-CD2 3.69Å; L800-L804 VanDerWaalsContact O-CB 3.26Å; L800-L804 WeakPolarHBondContact O-CB 2.98Å; L800-L804 PolarHBondContact O-N 3.07Å; A801-L804 PolarHBondContact O-N 3.36Å; T802-L804 PolarHBondContact O-N 3.03Å; L804-H807 PolarHBondContact O-N 3.41Å; L804-M808 HydrophobicContact CD1-CG 4.19Å; L804-M808 HydrophobicContact CD1-SD 4.15Å; L804-M808 HydrophobicContact CG-SD 4.27Å; L804-M808 WeakPolarHBondContact O-CB 3.43Å; L804-M808 VanDerWaalsContact O-CG 3.27Å; L804-M808 WeakPolarHBondContact O-CG 3.39Å; L804-M808 PolarHBondContact O-N 3.38Å |
| 805 | I | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 177 | -70.5 | 165 | 0 | 0 | 0 | 110.4 | I753 H756 L757 F776 I789 A801 T802 M808 Y809 | I753-I805 HydrophobicContact CD1-CD1 3.89Å; I753-I805 HydrophobicContact CD1-CG1 4.22Å; I753-I805 HydrophobicContact CG2-CG2 4.27Å; H756-I805 HydrophobicContact CB-CD1 3.41Å; H756-I805 VanDerWaalsContact CB-CD1 3.41Å; L757-I805 HydrophobicContact CD1-CG2 4.38Å; L757-I805 HydrophobicContact CD2-CG2 3.64Å; L757-I805 HydrophobicContact CG-CG2 3.67Å; F776-I805 HydrophobicContact CE1-CG2 4.3Å; I789-I805 HydrophobicContact CD1-CG1 3.89Å; I789-I805 HydrophobicContact CG2-CD1 3.82Å; I789-I805 HydrophobicContact CG2-CG1 3.95Å; A801-I805 VanDerWaalsContact O-CG1 3.25Å; A801-I805 WeakPolarHBondContact O-CG1 3.15Å; A801-I805 PolarHBondContact O-N 2.96Å; T802-I805 PolarHBondContact O-N 2.94Å; I805-M808 PolarHBondContact O-N 3.32Å; I805-Y809 WeakPolarHBondContact O-CB 3.11Å; I805-Y809 PolarHBondContact O-N 3.34Å |
| 806 | D | 91.8 | Very high | 88.7 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 179.7 | -174.6 | 57.1 | 0 | 0 | 0 | 112 | A760 R761 T802 D803 M808 Y809 R810 | A760-D806 HydrophobicContact CB-CB 3.72Å; R761-D806 IonicContact CZ-OD1 3.87Å; R761-D806 IonicContact NE-OD1 2.74Å; R761-D806 PolarHBondContact NE-OD1 3.44Å; R761-D806 IonicContact NH2-OD1 2.8Å; R761-D806 PolarHBondContact NH2-OD1 3.19Å; T802-D806 PolarHBondContact O-N 2.9Å; D803-D806 PolarHBondContact O-N 3.32Å; D806-M808 VanDerWaalsContact C-N 3.31Å; D806-M808 PolarHBondContact O-N 3.17Å; D806-Y809 PolarHBondContact O-N 3.21Å; D806-R810 WeakPolarHBondContact O-CG 3.21Å; D806-R810 PolarHBondContact O-N 3.43Å; D806-R810 IonicContact OD1-NE 3.38Å; D806-R810 IonicContact OD2-CZ 3.21Å; D806-R810 IonicContact OD2-NE 3.59Å; D806-R810 PolarHBondContact OD2-NE 3.18Å; D806-R810 IonicContact OD2-NH2 2.85Å; D806-R810 PolarHBondContact OD2-NH2 2.98Å |
| 807 | H | 90.5 | Very high | 89.3 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 32% | 0.319 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.3 | -35.9 | 175.6 | 179.7 | 81.6 | 0 | 0 | 0 | 112.7 | I597 N598 D803 L804 | I597-H807 HydrophobicContact CG2-CB 3.64Å; N598-H807 PolarHBondContact OD1-CE1 2.71Å; N598-H807 PolarHBondContact OD1-NE2 3.12Å; N598-H807 VanDerWaalsContact OD1-NE2 3.09Å; D803-H807 VanDerWaalsContact O-CB 3.27Å; D803-H807 WeakPolarHBondContact O-CB 3.47Å; D803-H807 PolarHBondContact O-N 3.19Å; L804-H807 PolarHBondContact O-N 3.41Å |
| 808 | M | 90.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.8 | -32.2 | 177 | -76.6 | -171.5 | 68.6 | 0 | 0 | 113.3 | S601 I604 K605 F776 L781 L804 I805 D806 | S601-M808 WeakPolarHBondContact OG-CG 3.29Å; I604-M808 HydrophobicContact CB-CE 4.15Å; I604-M808 HydrophobicContact CD1-SD 4.29Å; I604-M808 HydrophobicContact CG2-CE 3.76Å; I604-M808 HydrophobicContact CG2-SD 4.49Å; K605-M808 HydrophobicContact CG-CE 4.04Å; K605-M808 PolarHBondContact NZ-O 3.23Å; F776-M808 HydrophobicContact CE2-CB 4.18Å; F776-M808 WeakPolarHBondContact CE2-O 3.36Å; F776-M808 HydrophobicContact CZ-CB 3.97Å; L781-M808 HydrophobicContact CD2-CE 3.47Å; L781-M808 VanDerWaalsContact CD2-CE 3.47Å; L781-M808 HydrophobicContact CD2-SD 3.9Å; L781-M808 HydrophobicContact CG-CE 4.47Å; L804-M808 HydrophobicContact CD1-CG 4.19Å; L804-M808 HydrophobicContact CD1-SD 4.15Å; L804-M808 HydrophobicContact CG-SD 4.27Å; L804-M808 WeakPolarHBondContact O-CB 3.43Å; L804-M808 VanDerWaalsContact O-CG 3.27Å; L804-M808 WeakPolarHBondContact O-CG 3.39Å; L804-M808 PolarHBondContact O-N 3.38Å; I805-M808 PolarHBondContact O-N 3.32Å; D806-M808 VanDerWaalsContact C-N 3.31Å; D806-M808 PolarHBondContact O-N 3.17Å |
| 809 | Y | 90.2 | Very high | 90 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.2 | -35.5 | 179.1 | 178.4 | -88.2 | 0 | 0 | 0 | 112.5 | L757 L768 F776 I805 D806 | L757-Y809 HydrophobicContact CD1-CD2 3.92Å; L757-Y809 HydrophobicContact CD1-CE2 4.29Å; L757-Y809 HydrophobicContact CD1-CG 4.39Å; L757-Y809 HydrophobicContact CD2-CD1 4.43Å; L757-Y809 HydrophobicContact CD2-CD2 4.34Å; L757-Y809 HydrophobicContact CD2-CG 3.98Å; L768-Y809 HydrophobicContact CD1-CE1 4.11Å; L768-Y809 HydrophobicContact CD1-CE2 4.43Å; L768-Y809 WeakPolarHBondContact CD1-OH 3.44Å; F776-Y809 HydrophobicContact CB-CD2 3.93Å; F776-Y809 HydrophobicContact CB-CE2 4.16Å; F776-Y809 AromaticContact CD1-CD2 3.85Å; F776-Y809 HydrophobicContact CD1-CD2 3.85Å; F776-Y809 AromaticContact CD2-CD2 3.98Å; F776-Y809 HydrophobicContact CD2-CD2 3.98Å; F776-Y809 HydrophobicContact CE1-CD2 4.33Å; F776-Y809 HydrophobicContact CE2-CD2 4.47Å; F776-Y809 AromaticContact CG-CD2 3.64Å; F776-Y809 HydrophobicContact CG-CD2 3.64Å; F776-Y809 HydrophobicContact CG-CE2 4.37Å; I805-Y809 WeakPolarHBondContact O-CB 3.11Å; I805-Y809 PolarHBondContact O-N 3.34Å; D806-Y809 PolarHBondContact O-N 3.21Å |
| 810 | R | 87.5 | Confident | 90.4 | Very high | 206 Ų | 206 | 37.2 Ų | 37.2 | 78% | 0.777 | 16% | 0.159 | S | C | * | . | trans | -63.3 | 0 | 165.9 | -65.8 | 175.9 | -164.6 | -159.3 | 4.8 | 110.6 | D806 | D806-R810 WeakPolarHBondContact O-CG 3.21Å; D806-R810 PolarHBondContact O-N 3.43Å; D806-R810 IonicContact OD1-NE 3.38Å; D806-R810 IonicContact OD2-CZ 3.21Å; D806-R810 IonicContact OD2-NE 3.59Å; D806-R810 PolarHBondContact OD2-NE 3.18Å; D806-R810 IonicContact OD2-NH2 2.85Å; D806-R810 PolarHBondContact OD2-NH2 2.98Å |
Retrieved 810 of 810 residues in 337.9 ms
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