| 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 | 61.5 | Low | 86.5 | Confident | 90 Ų | 90 | 20.7 Ų | 20.7 | 44% | 0.443 | 11% | 0.112 | S | C | . | . | 0 | 123.7 | 0 | -73.3 | 176.3 | -90.2 | 0 | 0 | 109.4 | D3 D342 R343 | M1-D3 PolarHBondContact O-N 2.69Å; M1-D342 PolarHBondContact N-OD1 3.1Å; M1-D342 PolarHBondContact N-OD2 3.08Å; M1-D342 CarbonylContact O-C 3.48Å; M1-D342 WeakPolarHBondContact O-CA 3.41Å; M1-R343 HydrophobicContact CB-CB 4.18Å; M1-R343 HydrophobicContact CB-CG 4Å; M1-R343 HydrophobicContact CE-CB 4.25Å; M1-R343 HydrophobicContact CE-CG 4.45Å; M1-R343 PolarHBondContact O-N 3.48Å | |||
| 2 | A | 67.8 | Low | 86.7 | Confident | 18 Ų | 18 | 23.8 Ų | 23.8 | 15% | 0.149 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 109.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F4 E340 T341 T391 | A2-F4 HydrophobicContact CB-CE2 4.31Å; A2-E340 HydrophobicContact CB-CG 4.05Å; A2-E340 WeakPolarHBondContact CB-OE1 3.3Å; A2-T341 WeakPolarHBondContact CA-O 3.08Å; A2-T391 PolarHBondContact O-OG1 3.38Å |
| 3 | D | 83.4 | Confident | 86.8 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 15% | 0.15 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.3 | 166.4 | -74 | -29.7 | 0 | 0 | 0 | 108.6 | M1 T341 R343 | M1-D3 PolarHBondContact O-N 2.69Å; D3-T341 PolarHBondContact N-O 3.34Å; D3-T341 PolarHBondContact O-N 3.38Å; D3-R343 WeakPolarHBondContact OD2-CG 3.46Å; D3-R343 IonicContact OD2-NE 3.47Å; D3-R343 PolarHBondContact OD2-NE 3.03Å |
| 4 | F | 90.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.7 | 179.5 | -70.2 | -89.3 | 0 | 0 | 0 | 110.3 | A2 W35 M120 I123 T124 L338 L339 E340 I389 T391 | A2-F4 HydrophobicContact CB-CE2 4.31Å; F4-W35 HydrophobicContact CE1-CZ3 4.19Å; F4-M120 HydrophobicContact CD2-SD 4.3Å; F4-M120 HydrophobicContact CE2-CE 3.87Å; F4-M120 HydrophobicContact CE2-SD 3.21Å; F4-M120 WeakPolarHBondContact CE2-SD 3.38Å; F4-M120 HydrophobicContact CZ-CG 4.42Å; F4-M120 HydrophobicContact CZ-SD 3.45Å; F4-M120 WeakPolarHBondContact CZ-SD 3.47Å; F4-I123 HydrophobicContact CD1-CG2 4.16Å; F4-I123 HydrophobicContact CE1-CG2 4.49Å; F4-I123 HydrophobicContact CG-CG2 4.4Å; F4-T124 HydrophobicContact CE1-CG2 4.24Å; F4-L338 HydrophobicContact CB-CD1 4.02Å; F4-L338 HydrophobicContact CD1-CD1 3.92Å; F4-L338 HydrophobicContact CD1-CD2 4.02Å; F4-L338 HydrophobicContact CD1-CG 4.02Å; F4-L338 HydrophobicContact CE1-CD2 4.38Å; F4-L338 HydrophobicContact CG-CD1 4.39Å; F4-L339 CarbonylContact C-O 3.55Å; F4-L339 VanDerWaalsContact CA-O 3.29Å; F4-L339 WeakPolarHBondContact CA-O 3.47Å; F4-E340 HydrophobicContact CD1-CB 4.05Å; F4-E340 HydrophobicContact CE1-CB 3.76Å; F4-E340 HydrophobicContact CE1-CG 4.06Å; F4-E340 HydrophobicContact CZ-CB 4.37Å; F4-E340 HydrophobicContact CZ-CG 4.16Å; F4-I389 HydrophobicContact CB-CB 3.97Å; F4-I389 HydrophobicContact CB-CG2 4.49Å; F4-I389 PolarHBondContact N-O 3.21Å; F4-I389 PolarHBondContact O-N 2.93Å; F4-T391 HydrophobicContact CD2-CG2 3.95Å; F4-T391 HydrophobicContact CE2-CG2 4.21Å |
| 5 | W | 92.1 | Very high | 87.1 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119 | 178.7 | -58.2 | 1.1 | 0 | 0 | 0 | 107.9 | L339 T341 S346 L349 K350 L353 H388 | W5-L339 HydrophobicContact CB-CB 4.3Å; W5-L339 PolarHBondContact N-O 3.42Å; W5-L339 PolarHBondContact O-N 3.08Å; W5-T341 HydrophobicContact CD2-CG2 4.17Å; W5-T341 HydrophobicContact CZ2-CG2 3.98Å; W5-S346 VanDerWaalsContact CH2-O 3.25Å; W5-S346 WeakPolarHBondContact CH2-O 3.45Å; W5-L349 HydrophobicContact CE3-CD2 4.02Å; W5-L349 HydrophobicContact CE3-CG 4.38Å; W5-L349 HydrophobicContact CZ3-CB 4.28Å; W5-L349 HydrophobicContact CZ3-CD2 4.03Å; W5-L349 HydrophobicContact CZ3-CG 4Å; W5-K350 HydrophobicContact CH2-CB 3.95Å; W5-K350 HydrophobicContact CZ3-CB 4.16Å; W5-L353 HydrophobicContact CE3-CD1 3.88Å; W5-L353 HydrophobicContact CZ3-CD1 3.93Å; W5-H388 AromaticContact CD1-CE1 3.75Å; W5-H388 AromaticContact CD1-ND1 3.13Å; W5-H388 AromaticContact CD2-CE1 3.79Å; W5-H388 AromaticContact CD2-ND1 3.96Å; W5-H388 AromaticContact CE2-CE1 3.52Å; W5-H388 AromaticContact CE2-ND1 3.65Å; W5-H388 AromaticContact CG-CE1 3.92Å; W5-H388 AromaticContact CG-ND1 3.64Å; W5-H388 AromaticContact CZ2-CE1 3.95Å; W5-H388 AromaticContact NE1-CE1 3.53Å; W5-H388 AromaticContact NE1-ND1 3.16Å; W5-H388 PolarHBondContact NE1-ND1 3.46Å; W5-H388 VanDerWaalsContact NE1-ND1 3.16Å |
| 6 | L | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 106.6 | 176.2 | -175.1 | 62.4 | 0 | 0 | 0 | 107.9 | F37 K316 V320 C386 F387 I389 | L6-F37 HydrophobicContact CD1-CB 3.72Å; L6-F37 HydrophobicContact CD1-CD1 3.65Å; L6-F37 HydrophobicContact CD1-CD2 3.77Å; L6-F37 HydrophobicContact CD1-CE1 4.15Å; L6-F37 HydrophobicContact CD1-CE2 4.24Å; L6-F37 HydrophobicContact CD1-CG 3.43Å; L6-F37 VanDerWaalsContact CD1-CG 3.43Å; L6-F37 HydrophobicContact CD1-CZ 4.42Å; L6-F37 HydrophobicContact CD2-CD1 4.36Å; L6-F37 HydrophobicContact CD2-CE1 4.08Å; L6-F37 HydrophobicContact CD2-CZ 4.21Å; L6-K316 HydrophobicContact CD2-CB 4.07Å; L6-V320 HydrophobicContact CD2-CG2 3.42Å; L6-V320 VanDerWaalsContact CD2-CG2 3.42Å; L6-V320 HydrophobicContact CG-CG2 3.66Å; L6-C386 WeakPolarHBondContact O-CA 3.38Å; L6-F387 PolarHBondContact N-O 2.86Å; L6-F387 PolarHBondContact O-N 2.79Å; L6-I389 HydrophobicContact CB-CD1 4.31Å |
| 7 | I | 93.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 151.8 | -178.9 | 66.2 | 164.6 | 0 | 0 | 0 | 111 | L22 A336 L337 L339 L353 Y384 I385 C386 | I7-L22 HydrophobicContact CD1-CD2 4.2Å; I7-A336 CarbonylContact O-C 3.57Å; I7-A336 VanDerWaalsContact O-CA 3.27Å; I7-A336 WeakPolarHBondContact O-CA 3.49Å; I7-L337 HydrophobicContact CD1-CB 4.15Å; I7-L337 HydrophobicContact CD1-CD1 3.98Å; I7-L337 HydrophobicContact CG1-CB 3.72Å; I7-L337 HydrophobicContact CG1-CD1 4.37Å; I7-L337 PolarHBondContact N-O 3.19Å; I7-L337 PolarHBondContact O-N 3.16Å; I7-L339 HydrophobicContact CD1-CD1 3.81Å; I7-L339 HydrophobicContact CD1-CG 4.3Å; I7-L339 HydrophobicContact CG1-CD1 4.22Å; I7-L339 HydrophobicContact CG1-CG 4.36Å; I7-L339 HydrophobicContact CG2-CD1 4.16Å; I7-L353 HydrophobicContact CD1-CD2 4.13Å; I7-Y384 HydrophobicContact CB-CD2 4.44Å; I7-Y384 HydrophobicContact CG2-CD2 4.13Å; I7-Y384 HydrophobicContact CG2-CE2 4.06Å; I7-I385 CarbonylContact C-O 3.58Å; I7-I385 WeakPolarHBondContact CA-O 3.3Å; I7-C386 HydrophobicContact CG2-CB 4.23Å |
| 8 | S | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.1 | 168.9 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | S324 Y328 Y334 I385 | S8-S324 WeakPolarHBondContact CB-OG 3.42Å; S8-S324 PolarHBondContact OG-OG 2.62Å; S8-Y328 PolarHBondContact O-OH 3.19Å; S8-Y334 WeakPolarHBondContact OG-CD2 3.32Å; S8-I385 PolarHBondContact N-O 2.85Å |
| 9 | V | 92.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 146.6 | -179 | -62.7 | 0 | 0 | 0 | 0 | 109.6 | V19 Y334 Q335 F357 | V9-V19 HydrophobicContact CG2-CG2 3.63Å; V9-Y334 CarbonylContact O-C 3.45Å; V9-Y334 VanDerWaalsContact O-CA 3.26Å; V9-Y334 WeakPolarHBondContact O-CA 3.4Å; V9-Y334 WeakPolarHBondContact O-CB 3.5Å; V9-Q335 HydrophobicContact CG2-CB 4.45Å; V9-Q335 PolarHBondContact N-O 3.42Å; V9-Q335 PolarHBondContact O-N 2.86Å; V9-F357 HydrophobicContact CB-CE1 4.12Å; V9-F357 HydrophobicContact CG1-CD1 3.87Å; V9-F357 HydrophobicContact CG1-CD2 4.48Å; V9-F357 HydrophobicContact CG1-CE1 3.55Å; V9-F357 HydrophobicContact CG1-CE2 4.2Å; V9-F357 HydrophobicContact CG1-CG 4.35Å; V9-F357 HydrophobicContact CG1-CZ 3.74Å |
| 10 | P | 92.4 | Very high | 88 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 158.9 | 177.9 | 27.1 | -27.8 | 0 | 0 | 0 | 111 | D12 S15 Y328 L360 | P10-D12 VanDerWaalsContact C-N 3.27Å; P10-D12 PolarHBondContact O-N 3.32Å; P10-S15 WeakPolarHBondContact O-CB 3.42Å; P10-Y328 HydrophobicContact CB-CD1 4.21Å; P10-Y328 HydrophobicContact CB-CD2 4.28Å; P10-Y328 HydrophobicContact CB-CG 4.1Å; P10-Y328 HydrophobicContact CG-CD1 4.15Å; P10-Y328 HydrophobicContact CG-CE1 4.08Å; P10-L360 HydrophobicContact CG-CD1 4.18Å; P10-L360 HydrophobicContact CG-CD2 3.51Å |
| 11 | L | 89.7 | Confident | 88.1 | Confident | 59 Ų | 59 | 43 Ų | 43 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | trans | -91.1 | 34.5 | -178.7 | -78 | 171.4 | 0 | 0 | 0 | 113.2 | L16 N333 Y334 Q335 | L11-L16 HydrophobicContact CD2-CD2 3.64Å; L11-L16 HydrophobicContact CD2-CG 4.39Å; L11-N333 VanDerWaalsContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CD1-OD1 3.06Å; L11-N333 PolarHBondContact N-O 3.24Å; L11-Y334 WeakPolarHBondContact CD1-O 3.17Å; L11-Q335 HydrophobicContact CD2-CB 3.84Å; L11-Q335 HydrophobicContact CG-CB 4.31Å | ||
| 12 | D | 88.4 | Confident | 89.5 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -81.5 | 161.4 | 172.5 | 73.2 | -56.7 | 0 | 0 | 0 | 111.8 | P10 T14 S15 L16 | P10-D12 VanDerWaalsContact C-N 3.27Å; P10-D12 PolarHBondContact O-N 3.32Å; D12-T14 PolarHBondContact O-N 2.92Å; D12-T14 WeakPolarHBondContact OD2-CB 3.46Å; D12-T14 PolarHBondContact OD2-N 3.12Å; D12-S15 PolarHBondContact O-N 3.01Å; D12-S15 WeakPolarHBondContact OD1-CB 3.33Å; D12-S15 PolarHBondContact OD1-N 3.08Å; D12-S15 PolarHBondContact OD1-OG 2.88Å; D12-S15 PolarHBondContact OD2-N 2.99Å; D12-L16 WeakPolarHBondContact O-CB 3.33Å; D12-L16 WeakPolarHBondContact O-CG 3.48Å; D12-L16 PolarHBondContact O-N 3.41Å |
| 13 | K | 87.6 | Confident | 90.6 | Very high | 185 Ų | 185 | 41.7 Ų | 41.7 | 80% | 0.804 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -56.3 | -38.6 | -175.9 | -67.2 | -177.4 | -179.6 | 178.6 | 0 | 112.6 | T17 | K13-T17 PolarHBondContact O-N 2.98Å; K13-T17 VanDerWaalsContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.2Å |
| 14 | T | 88.8 | Confident | 90.9 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.1 | -50.8 | -178.8 | -51.2 | 0 | 0 | 0 | 0 | 110.3 | D12 L16 T17 S18 | D12-T14 PolarHBondContact O-N 2.92Å; D12-T14 WeakPolarHBondContact OD2-CB 3.46Å; D12-T14 PolarHBondContact OD2-N 3.12Å; T14-L16 PolarHBondContact O-N 3.19Å; T14-T17 WeakPolarHBondContact O-CB 3.39Å; T14-T17 PolarHBondContact O-N 3.47Å; T14-S18 PolarHBondContact O-N 3.5Å; T14-S18 PolarHBondContact O-OG 2.89Å |
| 15 | S | 89.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | -179.5 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | P10 D12 T17 S18 V19 H359 | P10-S15 WeakPolarHBondContact O-CB 3.42Å; D12-S15 PolarHBondContact O-N 3.01Å; D12-S15 WeakPolarHBondContact OD1-CB 3.33Å; D12-S15 PolarHBondContact OD1-N 3.08Å; D12-S15 PolarHBondContact OD1-OG 2.88Å; D12-S15 PolarHBondContact OD2-N 2.99Å; S15-T17 VanDerWaalsContact C-N 3.34Å; S15-T17 PolarHBondContact O-N 2.89Å; S15-S18 CarbonylContact O-C 3.51Å; S15-S18 WeakPolarHBondContact O-CB 3.2Å; S15-S18 PolarHBondContact O-N 3.31Å; S15-V19 WeakPolarHBondContact O-CG2 3.49Å; S15-V19 PolarHBondContact O-N 3.45Å; S15-H359 PolarHBondContact OG-NE2 2.88Å; S15-H359 VanDerWaalsContact OG-NE2 3.08Å |
| 16 | L | 89.1 | Confident | 90.6 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 173.2 | -75.3 | 173.9 | 0 | 0 | 0 | 111.9 | L11 D12 T14 S18 V19 E20 | L11-L16 HydrophobicContact CD2-CD2 3.64Å; L11-L16 HydrophobicContact CD2-CG 4.39Å; D12-L16 WeakPolarHBondContact O-CB 3.33Å; D12-L16 WeakPolarHBondContact O-CG 3.48Å; D12-L16 PolarHBondContact O-N 3.41Å; T14-L16 PolarHBondContact O-N 3.19Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.83Å; L16-V19 PolarHBondContact O-N 3.32Å; L16-E20 PolarHBondContact O-N 3.25Å |
| 17 | T | 90.8 | Very high | 90.2 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | K13 T14 S15 E20 K21 | K13-T17 PolarHBondContact O-N 2.98Å; K13-T17 VanDerWaalsContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.2Å; T14-T17 WeakPolarHBondContact O-CB 3.39Å; T14-T17 PolarHBondContact O-N 3.47Å; S15-T17 VanDerWaalsContact C-N 3.34Å; S15-T17 PolarHBondContact O-N 2.89Å; T17-E20 PolarHBondContact O-N 3.26Å; T17-K21 WeakPolarHBondContact O-CG 3.37Å; T17-K21 PolarHBondContact O-N 2.74Å |
| 18 | S | 91.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 174.8 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | T14 S15 L16 K21 L22 L356 | T14-S18 PolarHBondContact O-N 3.5Å; T14-S18 PolarHBondContact O-OG 2.89Å; S15-S18 CarbonylContact O-C 3.51Å; S15-S18 WeakPolarHBondContact O-CB 3.2Å; S15-S18 PolarHBondContact O-N 3.31Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.83Å; S18-K21 PolarHBondContact O-N 3.35Å; S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 3.07Å; S18-L356 WeakPolarHBondContact CB-O 3.33Å; S18-L356 PolarHBondContact OG-O 3.41Å |
| 19 | V | 90.9 | Very high | 89.3 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 174.9 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | V9 S15 L16 L22 K23 L337 F357 | V9-V19 HydrophobicContact CG2-CG2 3.63Å; S15-V19 WeakPolarHBondContact O-CG2 3.49Å; S15-V19 PolarHBondContact O-N 3.45Å; L16-V19 PolarHBondContact O-N 3.32Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 3.22Å; V19-K23 HydrophobicContact CG1-CD 4.38Å; V19-K23 WeakPolarHBondContact O-CG 3.39Å; V19-K23 PolarHBondContact O-N 3.36Å; V19-L337 HydrophobicContact CB-CD1 4.47Å; V19-L337 HydrophobicContact CG1-CD1 3.74Å; V19-L337 HydrophobicContact CG2-CD1 3.87Å; V19-F357 HydrophobicContact CG2-CE1 4.25Å; V19-F357 HydrophobicContact CG2-CZ 3.9Å |
| 20 | E | 91.4 | Very high | 88.7 | Confident | 102 Ų | 102 | 71.4 Ų | 71.4 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.1 | -71.4 | -173.2 | 176.2 | 0 | 0 | 112 | L16 T17 L22 K23 R24 | L16-E20 PolarHBondContact O-N 3.25Å; T17-E20 PolarHBondContact O-N 3.26Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-K23 PolarHBondContact O-N 3.14Å; E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 2.87Å; E20-R24 IonicContact OE2-CZ 3.75Å; E20-R24 IonicContact OE2-NH1 3.99Å; E20-R24 IonicContact OE2-NH2 2.78Å; E20-R24 PolarHBondContact OE2-NH2 3.05Å |
| 21 | K | 91.7 | Very high | 88 | Confident | 104 Ų | 104 | 70.7 Ų | 70.7 | 45% | 0.452 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 173.2 | -74.2 | 174.8 | 179.7 | 177 | 0 | 110.7 | T17 S18 K23 R24 T25 L356 | T17-K21 WeakPolarHBondContact O-CG 3.37Å; T17-K21 PolarHBondContact O-N 2.74Å; S18-K21 PolarHBondContact O-N 3.35Å; K21-K23 PolarHBondContact O-N 3.46Å; K21-R24 PolarHBondContact O-N 3.33Å; K21-T25 PolarHBondContact O-N 2.92Å; K21-T25 PolarHBondContact O-OG1 2.64Å; K21-T25 VanDerWaalsContact O-OG1 3.12Å; K21-L356 HydrophobicContact CB-CD2 4.01Å; K21-L356 HydrophobicContact CD-CD2 4.18Å |
| 22 | L | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.3 | -49.9 | 176.1 | 179.2 | 65.2 | 0 | 0 | 0 | 111.6 | I7 S18 V19 E20 R24 T25 I26 L339 L349 E352 L353 L356 F357 | I7-L22 HydrophobicContact CD1-CD2 4.2Å; S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 3.07Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 3.22Å; E20-L22 VanDerWaalsContact C-N 3.34Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.21Å; L22-T25 PolarHBondContact O-N 2.77Å; L22-I26 HydrophobicContact CD1-CD1 3.86Å; L22-I26 HydrophobicContact CD1-CG1 4.15Å; L22-I26 HydrophobicContact CD2-CD1 4.45Å; L22-I26 HydrophobicContact CG-CD1 3.78Å; L22-I26 HydrophobicContact CG-CG1 4.41Å; L22-I26 WeakPolarHBondContact O-CB 3.19Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 2.83Å; L22-L339 HydrophobicContact CD2-CD1 4.42Å; L22-L339 HydrophobicContact CD2-CD2 4.33Å; L22-L349 HydrophobicContact CD1-CD1 4.24Å; L22-E352 HydrophobicContact CD1-CG 4.49Å; L22-L353 HydrophobicContact CD1-CD2 3.7Å; L22-L353 HydrophobicContact CD1-CG 4.36Å; L22-L353 HydrophobicContact CD2-CD2 3.54Å; L22-L353 HydrophobicContact CG-CD2 4.26Å; L22-L356 HydrophobicContact CB-CD1 3.76Å; L22-L356 HydrophobicContact CD1-CD1 4.06Å; L22-L356 HydrophobicContact CG-CD1 4.5Å; L22-F357 HydrophobicContact CD2-CE2 4.38Å |
| 23 | K | 90 | Very high | 87.6 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 178.8 | -73.5 | 176.7 | 179.9 | 177.7 | 0 | 112.2 | V19 E20 K21 T27 | V19-K23 HydrophobicContact CG1-CD 4.38Å; V19-K23 WeakPolarHBondContact O-CG 3.39Å; V19-K23 PolarHBondContact O-N 3.36Å; E20-K23 PolarHBondContact O-N 3.14Å; K21-K23 PolarHBondContact O-N 3.46Å; K23-T27 WeakPolarHBondContact O-CB 3.5Å; K23-T27 PolarHBondContact O-N 3.3Å; K23-T27 PolarHBondContact O-OG1 3.1Å |
| 24 | R | 90.3 | Very high | 87.7 | Confident | 144 Ų | 144 | 61.1 Ų | 61.1 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.2 | -68.5 | 177.4 | -160.7 | 120.4 | 7.6 | 111.3 | E20 K21 L22 T27 K28 | E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 2.87Å; E20-R24 IonicContact OE2-CZ 3.75Å; E20-R24 IonicContact OE2-NH1 3.99Å; E20-R24 IonicContact OE2-NH2 2.78Å; E20-R24 PolarHBondContact OE2-NH2 3.05Å; K21-R24 PolarHBondContact O-N 3.33Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.21Å; R24-T27 PolarHBondContact O-N 2.63Å; R24-K28 WeakPolarHBondContact O-CB 3.37Å; R24-K28 PolarHBondContact O-N 3.22Å |
| 25 | T | 87.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 20% | 0.202 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 177.9 | -61 | 0 | 0 | 0 | 0 | 110.6 | K21 L22 T27 K28 T29 L31 E352 | K21-T25 PolarHBondContact O-N 2.92Å; K21-T25 PolarHBondContact O-OG1 2.64Å; K21-T25 VanDerWaalsContact O-OG1 3.12Å; L22-T25 PolarHBondContact O-N 2.77Å; T25-T27 VanDerWaalsContact C-N 3.31Å; T25-T27 PolarHBondContact O-N 3.33Å; T25-K28 PolarHBondContact O-N 3.37Å; T25-T29 HydrophobicContact CG2-CG2 4.16Å; T25-T29 WeakPolarHBondContact O-CB 3.28Å; T25-T29 WeakPolarHBondContact O-CG2 3.47Å; T25-T29 PolarHBondContact O-N 2.92Å; T25-T29 PolarHBondContact O-OG1 3.29Å; T25-L31 HydrophobicContact CG2-CD1 4.31Å; T25-E352 HydrophobicContact CG2-CG 4.19Å; T25-E352 PolarHBondContact OG1-OE1 2.64Å |
| 26 | I | 88 | Confident | 88.1 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.2 | -46.2 | 178.4 | -71.6 | 172.6 | 0 | 0 | 0 | 110.9 | L22 H30 L31 G32 C34 L339 L349 | L22-I26 HydrophobicContact CD1-CD1 3.86Å; L22-I26 HydrophobicContact CD1-CG1 4.15Å; L22-I26 HydrophobicContact CD2-CD1 4.45Å; L22-I26 HydrophobicContact CG-CD1 3.78Å; L22-I26 HydrophobicContact CG-CG1 4.41Å; L22-I26 WeakPolarHBondContact O-CB 3.19Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 2.83Å; I26-H30 WeakPolarHBondContact O-CA 3.18Å; I26-H30 PolarHBondContact O-N 3.08Å; I26-L31 PolarHBondContact O-N 3.36Å; I26-G32 VanDerWaalsContact CG2-C 3.48Å; I26-G32 WeakPolarHBondContact CG2-O 3.37Å; I26-C34 HydrophobicContact CD1-CB 4.01Å; I26-L339 HydrophobicContact CD1-CD2 3.92Å; I26-L349 HydrophobicContact CD1-CD1 4.47Å; I26-L349 HydrophobicContact CG1-CD1 4.41Å |
| 27 | T | 85.7 | Confident | 88.4 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 179.2 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | K23 R24 T25 | K23-T27 WeakPolarHBondContact O-CB 3.5Å; K23-T27 PolarHBondContact O-N 3.3Å; K23-T27 PolarHBondContact O-OG1 3.1Å; R24-T27 PolarHBondContact O-N 2.63Å; T25-T27 VanDerWaalsContact C-N 3.31Å; T25-T27 PolarHBondContact O-N 3.33Å |
| 28 | K | 86.8 | Confident | 88.5 | Confident | 182 Ų | 182 | 64.8 Ų | 64.8 | 79% | 0.791 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.1 | -36.8 | -177.6 | -178.1 | 177.3 | 179 | -179.3 | 0 | 113.3 | R24 T25 | R24-K28 WeakPolarHBondContact O-CB 3.37Å; R24-K28 PolarHBondContact O-N 3.22Å; T25-K28 PolarHBondContact O-N 3.37Å |
| 29 | T | 82.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -100.1 | -1.9 | -172.1 | 58 | 0 | 0 | 0 | 0 | 113.1 | T25 L31 | T25-T29 HydrophobicContact CG2-CG2 4.16Å; T25-T29 WeakPolarHBondContact O-CB 3.28Å; T25-T29 WeakPolarHBondContact O-CG2 3.47Å; T25-T29 PolarHBondContact O-N 2.92Å; T25-T29 PolarHBondContact O-OG1 3.29Å; T29-L31 PolarHBondContact O-N 3.45Å; T29-L31 VanDerWaalsContact O-N 3.13Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.41Å; T29-L31 WeakPolarHBondContact OG1-CG 3.41Å |
| 30 | H | 80.3 | Confident | 88.8 | Confident | 143 Ų | 143 | 66.9 Ų | 66.9 | 66% | 0.662 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 35.8 | -172.2 | -61 | -77.1 | 0 | 0 | 0 | 112.5 | I26 G32 R345 | I26-H30 WeakPolarHBondContact O-CA 3.18Å; I26-H30 PolarHBondContact O-N 3.08Å; H30-G32 PolarHBondContact O-N 2.99Å; H30-R345 VanDerWaalsContact O-CZ 3.24Å; H30-R345 PolarHBondContact O-NH1 3.33Å |
| 31 | L | 77.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | trans | -67.1 | -22.8 | -179.8 | -82.6 | 170.2 | 0 | 0 | 0 | 112.3 | T25 I26 T29 R345 K348 | T25-L31 HydrophobicContact CG2-CD1 4.31Å; I26-L31 PolarHBondContact O-N 3.36Å; T29-L31 PolarHBondContact O-N 3.45Å; T29-L31 VanDerWaalsContact O-N 3.13Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.41Å; T29-L31 WeakPolarHBondContact OG1-CG 3.41Å; L31-R345 HydrophobicContact CD2-CB 4.02Å; L31-K348 HydrophobicContact CD2-CB 4.29Å; L31-K348 HydrophobicContact CD2-CD 4.04Å; L31-K348 HydrophobicContact CD2-CG 4.13Å | ||
| 32 | G | 82.6 | Confident | 88.9 | Confident | 24 Ų | 24 | 64 Ų | 64 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -156.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I26 H30 E340 | I26-G32 VanDerWaalsContact CG2-C 3.48Å; I26-G32 WeakPolarHBondContact CG2-O 3.37Å; H30-G32 PolarHBondContact O-N 2.99Å; G32-E340 CarbonylContact C-O 3.42Å; G32-E340 WeakPolarHBondContact CA-O 3.24Å |
| 33 | S | 87.6 | Confident | 88.9 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.1 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | W35 L339 E340 | S33-W35 VanDerWaalsContact CB-CZ2 3.42Å; S33-L339 CarbonylContact O-C 3.58Å; S33-L339 WeakPolarHBondContact O-CA 3.33Å; S33-E340 PolarHBondContact N-O 3.14Å; S33-E340 PolarHBondContact O-N 2.87Å; S33-E340 PolarHBondContact OG-OE2 3.29Å |
| 34 | C | 90.4 | Very high | 88.7 | Confident | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124.4 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | I26 L338 L339 | I26-C34 HydrophobicContact CD1-CB 4.01Å; C34-L338 CarbonylContact C-O 3.6Å; C34-L338 WeakPolarHBondContact CA-O 2.97Å; C34-L339 HydrophobicContact CB-CD2 3.69Å; C34-L339 VanDerWaalsContact SG-CD2 3.51Å |
| 35 | W | 92.8 | Very high | 88.4 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.6 | 177.4 | -56.8 | -90.8 | 0 | 0 | 0 | 111.2 | F4 S33 T124 L337 L338 E340 | F4-W35 HydrophobicContact CE1-CZ3 4.19Å; S33-W35 VanDerWaalsContact CB-CZ2 3.42Å; W35-T124 HydrophobicContact CD2-CG2 4.1Å; W35-T124 HydrophobicContact CE3-CG2 4.08Å; W35-T124 HydrophobicContact CH2-CG2 3.63Å; W35-T124 HydrophobicContact CZ2-CG2 3.74Å; W35-T124 HydrophobicContact CZ3-CG2 3.85Å; W35-L337 CarbonylContact O-C 3.51Å; W35-L337 WeakPolarHBondContact O-CA 3.33Å; W35-L338 HydrophobicContact CB-CB 4.5Å; W35-L338 HydrophobicContact CE3-CB 4.44Å; W35-L338 HydrophobicContact CE3-CD2 3.82Å; W35-L338 HydrophobicContact CE3-CG 4.16Å; W35-L338 HydrophobicContact CZ3-CD2 4.27Å; W35-L338 PolarHBondContact N-O 3.3Å; W35-L338 PolarHBondContact O-N 3.48Å; W35-E340 HydrophobicContact CH2-CB 3.84Å; W35-E340 WeakPolarHBondContact CH2-OE2 3.45Å; W35-E340 HydrophobicContact CZ3-CB 3.55Å |
| 36 | K | 92.3 | Very high | 88.5 | Confident | 142 Ų | 142 | 67.7 Ų | 67.7 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.8 | 168.2 | -176.5 | 179.1 | 177.6 | -179.9 | 0 | 108.7 | ||
| 37 | F | 95.2 | Very high | 88.5 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | trans | -103.3 | 109.1 | 175.4 | -169.4 | -90.7 | 0 | 0 | 0 | 108.8 | L6 I39 F126 I313 A317 A336 L338 | L6-F37 HydrophobicContact CD1-CB 3.72Å; L6-F37 HydrophobicContact CD1-CD1 3.65Å; L6-F37 HydrophobicContact CD1-CD2 3.77Å; L6-F37 HydrophobicContact CD1-CE1 4.15Å; L6-F37 HydrophobicContact CD1-CE2 4.24Å; L6-F37 HydrophobicContact CD1-CG 3.43Å; L6-F37 VanDerWaalsContact CD1-CG 3.43Å; L6-F37 HydrophobicContact CD1-CZ 4.42Å; L6-F37 HydrophobicContact CD2-CD1 4.36Å; L6-F37 HydrophobicContact CD2-CE1 4.08Å; L6-F37 HydrophobicContact CD2-CZ 4.21Å; F37-I39 HydrophobicContact CD1-CD1 3.88Å; F37-I39 HydrophobicContact CD1-CG1 3.58Å; F37-I39 HydrophobicContact CE1-CD1 3.99Å; F37-I39 HydrophobicContact CE1-CG1 3.7Å; F37-I39 PolarHBondContact O-N 3.14Å; F37-F126 HydrophobicContact CD1-CD1 4.06Å; F37-F126 HydrophobicContact CD1-CE1 4.32Å; F37-F126 HydrophobicContact CD2-CB 3.89Å; F37-F126 AromaticContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CG 4.11Å; F37-F126 AromaticContact CE1-CD1 3.53Å; F37-F126 HydrophobicContact CE1-CD1 3.53Å; F37-F126 AromaticContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CG 4.24Å; F37-F126 HydrophobicContact CE1-CZ 4.25Å; F37-F126 HydrophobicContact CE2-CB 3.43Å; F37-F126 VanDerWaalsContact CE2-CB 3.43Å; F37-F126 AromaticContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD1 3.43Å; F37-F126 VanDerWaalsContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD2 4.06Å; F37-F126 HydrophobicContact CE2-CE1 4.18Å; F37-F126 AromaticContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CG-CD1 4.27Å; F37-F126 HydrophobicContact CZ-CB 4.07Å; F37-F126 AromaticContact CZ-CD1 3.18Å; F37-F126 HydrophobicContact CZ-CD1 3.18Å; F37-F126 AromaticContact CZ-CD2 3.91Å; F37-F126 HydrophobicContact CZ-CD2 3.91Å; F37-F126 AromaticContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE1 3.44Å; F37-F126 VanDerWaalsContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE2 4.13Å; F37-F126 AromaticContact CZ-CG 3.42Å; F37-F126 HydrophobicContact CZ-CG 3.42Å; F37-F126 VanDerWaalsContact CZ-CG 3.42Å; F37-F126 AromaticContact CZ-CZ 3.91Å; F37-F126 HydrophobicContact CZ-CZ 3.91Å; F37-I313 HydrophobicContact CE2-CG2 4.14Å; F37-I313 HydrophobicContact CZ-CG2 4.02Å; F37-A317 HydrophobicContact CE1-CB 3.67Å; F37-A317 HydrophobicContact CZ-CB 4.08Å; F37-A336 HydrophobicContact CB-CB 4.09Å; F37-A336 HydrophobicContact CD1-CB 4.27Å; F37-A336 PolarHBondContact N-O 3.27Å; F37-L338 HydrophobicContact CB-CB 4.42Å; F37-L338 HydrophobicContact CD2-CB 4.38Å | ||
| 38 | S | 93.3 | Very high | 88.7 | Confident | 60 Ų | 60 | 74 Ų | 74 | 42% | 0.42 | 40% | 0.395 | S | S | . | . | trans | -88.4 | 106.6 | -169.8 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | F126 | S38-F126 WeakPolarHBondContact O-CE1 3.22Š| ||
| 39 | I | 94.8 | Very high | 88.8 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | trans | -104 | 127.1 | 174 | -53.1 | 175.8 | 0 | 0 | 0 | 107.2 | F37 A317 V320 F321 Y334 A336 | F37-I39 HydrophobicContact CD1-CD1 3.88Å; F37-I39 HydrophobicContact CD1-CG1 3.58Å; F37-I39 HydrophobicContact CE1-CD1 3.99Å; F37-I39 HydrophobicContact CE1-CG1 3.7Å; F37-I39 PolarHBondContact O-N 3.14Å; I39-A317 HydrophobicContact CD1-CB 4.29Å; I39-A317 HydrophobicContact CG1-CB 4.26Å; I39-V320 HydrophobicContact CD1-CB 3.76Å; I39-V320 HydrophobicContact CD1-CG1 3.56Å; I39-F321 HydrophobicContact CG2-CB 4.25Å; I39-F321 HydrophobicContact CG2-CD2 4.26Å; I39-Y334 HydrophobicContact CD1-CE2 4.29Å; I39-A336 HydrophobicContact CD1-CB 3.89Å; I39-A336 HydrophobicContact CG1-CB 4.42Å | ||
| 40 | P | 94.4 | Very high | 89.3 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | trans | -73.4 | 166.9 | 177.4 | 32.9 | -36.7 | 0 | 0 | 0 | 111 | L42 W128 T135 | P40-L42 HydrophobicContact CG-CD2 4.13Å; P40-L42 PolarHBondContact O-N 2.83Å; P40-W128 HydrophobicContact CG-CB 3.77Å; P40-W128 HydrophobicContact CG-CD2 3.78Å; P40-W128 HydrophobicContact CG-CE3 4.39Å; P40-W128 HydrophobicContact CG-CG 3.46Å; P40-W128 VanDerWaalsContact CG-CG 3.46Å; P40-T135 HydrophobicContact CB-CG2 3.96Å; P40-T135 HydrophobicContact CG-CG2 3.72Å | ||
| 41 | D | 90.9 | Very high | 89.9 | Confident | 134 Ų | 134 | 61.8 Ų | 61.8 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | trans | -66.2 | 125 | 168.7 | -58.9 | -42.2 | 0 | 0 | 0 | 109.8 | ||||
| 42 | L | 93.7 | Very high | 90.6 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | trans | -112.3 | 151.7 | 178.6 | -59 | 173.5 | 0 | 0 | 0 | 109.9 | P40 V44 W128 T135 L139 L142 L318 F321 | P40-L42 HydrophobicContact CG-CD2 4.13Å; P40-L42 PolarHBondContact O-N 2.83Å; L42-V44 PolarHBondContact O-N 2.98Å; L42-V44 VanDerWaalsContact O-N 3.09Å; L42-W128 HydrophobicContact CD1-CH2 4.24Å; L42-W128 HydrophobicContact CD2-CH2 4.41Å; L42-W128 HydrophobicContact CD2-CZ2 3.97Å; L42-T135 HydrophobicContact CD2-CG2 3.94Å; L42-L139 HydrophobicContact CB-CD2 3.81Å; L42-L139 HydrophobicContact CD1-CD2 3.83Å; L42-L139 HydrophobicContact CG-CD2 4.46Å; L42-L142 HydrophobicContact CD2-CD1 4.15Å; L42-L318 HydrophobicContact CD1-CD2 3.5Å; L42-F321 HydrophobicContact CB-CD1 4.14Å; L42-F321 HydrophobicContact CB-CD2 4.33Å; L42-F321 HydrophobicContact CB-CE1 3.77Å; L42-F321 HydrophobicContact CB-CE2 4Å; L42-F321 HydrophobicContact CB-CG 4.41Å; L42-F321 HydrophobicContact CB-CZ 3.71Å; L42-F321 HydrophobicContact CD1-CB 4.2Å; L42-F321 HydrophobicContact CD1-CD1 4.07Å; L42-F321 HydrophobicContact CD1-CD2 4.18Å; L42-F321 HydrophobicContact CD1-CG 3.88Å; L42-F321 HydrophobicContact CG-CD2 4.32Å; L42-F321 HydrophobicContact CG-CE2 4.38Å; L42-F321 HydrophobicContact CG-CG 4.45Å; L42-F321 WeakPolarHBondContact O-CZ 3.01Å | ||
| 43 | K | 90.1 | Very high | 91.2 | Very high | 125 Ų | 125 | 67.8 Ų | 67.8 | 54% | 0.543 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 107.1 | -177.1 | -171.9 | 174.2 | -179.2 | 177.1 | 0 | 111.3 | ||
| 44 | V | 86.8 | Confident | 91.5 | Very high | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | trans | -78.8 | 133.9 | 174.5 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | L42 L50 F321 V325 V332 | L42-V44 PolarHBondContact O-N 2.98Å; L42-V44 VanDerWaalsContact O-N 3.09Å; V44-L50 HydrophobicContact CG1-CD2 4.41Å; V44-F321 HydrophobicContact CG2-CE1 3.77Å; V44-F321 HydrophobicContact CG2-CZ 3.71Å; V44-V325 HydrophobicContact CG1-CG1 4.07Å; V44-V325 HydrophobicContact CG2-CG2 4.32Å; V44-V332 HydrophobicContact CG2-CG2 4.26Å | ||
| 45 | G | 83.3 | Confident | 91.7 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | trans | -91.3 | -152.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 46 | I | 89.4 | Confident | 91.8 | Very high | 115 Ų | 115 | 68.1 Ų | 68.1 | 59% | 0.59 | 37% | 0.368 | S | S | * | . | trans | -75.8 | 158.4 | 169.3 | 59.9 | 172.7 | 0 | 0 | 0 | 111.1 | D48 S49 L50 | I46-D48 VanDerWaalsContact C-N 3.31Å; I46-D48 HydrophobicContact CD1-CB 4.28Å; I46-D48 HydrophobicContact CG1-CB 4.49Å; I46-D48 PolarHBondContact O-N 2.89Å; I46-S49 WeakPolarHBondContact CG1-OG 3.12Å; I46-S49 WeakPolarHBondContact O-CB 3.44Å; I46-S49 PolarHBondContact O-N 3.26Å; I46-S49 VanDerWaalsContact O-N 3.12Å; I46-L50 PolarHBondContact O-N 3.47Å; I46-L50 VanDerWaalsContact O-N 3.09Å | ||
| 47 | L | 89.6 | Confident | 92 | Very high | 121 Ų | 121 | 61.4 Ų | 61.4 | 63% | 0.634 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -54.6 | -44.1 | -177.5 | -178.7 | 62.2 | 0 | 0 | 0 | 112.8 | S49 L50 V51 L326 | L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.86Å; L47-L50 WeakPolarHBondContact O-CA 3.36Å; L47-L50 WeakPolarHBondContact O-CB 3.32Å; L47-L50 PolarHBondContact O-N 2.89Å; L47-V51 HydrophobicContact CD1-CG2 4.46Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.45Å; L47-L326 HydrophobicContact CD1-CD2 3.67Å |
| 48 | D | 89 | Confident | 92 | Very high | 121 Ų | 121 | 64.2 Ų | 64.2 | 65% | 0.647 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57 | -45.5 | 178 | 178.3 | 76.1 | 0 | 0 | 0 | 112.4 | I46 L50 V51 R52 | I46-D48 VanDerWaalsContact C-N 3.31Å; I46-D48 HydrophobicContact CD1-CB 4.28Å; I46-D48 HydrophobicContact CG1-CB 4.49Å; I46-D48 PolarHBondContact O-N 2.89Å; D48-L50 VanDerWaalsContact C-N 3.28Å; D48-L50 PolarHBondContact O-N 2.98Å; D48-V51 PolarHBondContact O-N 3.42Å; D48-R52 PolarHBondContact O-N 3.26Å; D48-R52 VanDerWaalsContact O-N 3.12Å |
| 49 | S | 89.8 | Confident | 92.1 | Very high | 48 Ų | 48 | 67.8 Ų | 67.8 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | I46 L47 V53 | I46-S49 WeakPolarHBondContact CG1-OG 3.12Å; I46-S49 WeakPolarHBondContact O-CB 3.44Å; I46-S49 PolarHBondContact O-N 3.26Å; I46-S49 VanDerWaalsContact O-N 3.12Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.86Å; S49-V53 WeakPolarHBondContact O-CB 3.3Å; S49-V53 WeakPolarHBondContact O-CG2 3.47Å; S49-V53 PolarHBondContact O-N 3.28Å |
| 50 | L | 91.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 179.4 | -169.3 | 65.2 | 0 | 0 | 0 | 111.9 | V44 I46 L47 D48 V53 A54 L139 V322 V325 L326 | V44-L50 HydrophobicContact CG1-CD2 4.41Å; I46-L50 PolarHBondContact O-N 3.47Å; I46-L50 VanDerWaalsContact O-N 3.09Å; L47-L50 WeakPolarHBondContact O-CA 3.36Å; L47-L50 WeakPolarHBondContact O-CB 3.32Å; L47-L50 PolarHBondContact O-N 2.89Å; D48-L50 VanDerWaalsContact C-N 3.28Å; D48-L50 PolarHBondContact O-N 2.98Å; L50-V53 PolarHBondContact O-N 2.73Å; L50-A54 PolarHBondContact O-N 3.25Å; L50-L139 HydrophobicContact CD1-CD1 3.69Å; L50-V322 HydrophobicContact CD1-CB 4.16Å; L50-V322 HydrophobicContact CD1-CG1 3.73Å; L50-V322 HydrophobicContact CD1-CG2 3.87Å; L50-V322 HydrophobicContact CG-CG1 4.05Å; L50-V325 HydrophobicContact CD2-CB 3.93Å; L50-V325 HydrophobicContact CD2-CG1 3.51Å; L50-L326 HydrophobicContact CB-CD2 4.27Å; L50-L326 HydrophobicContact CD2-CD2 3.59Å; L50-L326 HydrophobicContact CD2-CG 3.72Å; L50-L326 HydrophobicContact CG-CD1 4.4Å; L50-L326 HydrophobicContact CG-CD2 3.83Å; L50-L326 HydrophobicContact CG-CG 3.91Å |
| 51 | V | 92.8 | Very high | 92.4 | Very high | 69 Ų | 69 | 65.7 Ų | 65.7 | 42% | 0.418 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | L47 D48 V53 A54 D55 L326 | L47-V51 HydrophobicContact CD1-CG2 4.46Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.45Å; D48-V51 PolarHBondContact O-N 3.42Å; V51-V53 VanDerWaalsContact C-N 3.35Å; V51-V53 PolarHBondContact O-N 3.3Å; V51-A54 WeakPolarHBondContact O-CB 3.26Å; V51-A54 PolarHBondContact O-N 3.13Å; V51-A54 VanDerWaalsContact O-N 3.12Å; V51-D55 PolarHBondContact O-N 3Å; V51-L326 HydrophobicContact CG2-CD2 3.98Å |
| 52 | R | 92.6 | Very high | 92.6 | Very high | 148 Ų | 148 | 62.2 Ų | 62.2 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.6 | -44.6 | 176.2 | -175.3 | -176.2 | 133 | -150.8 | -2.4 | 112.3 | D48 A54 D55 D56 | D48-R52 PolarHBondContact O-N 3.26Å; D48-R52 VanDerWaalsContact O-N 3.12Å; R52-A54 VanDerWaalsContact C-N 3.29Å; R52-A54 PolarHBondContact O-N 3.22Å; R52-D55 PolarHBondContact O-N 3.05Å; R52-D56 IonicContact NE-OD2 2.66Å; R52-D56 PolarHBondContact O-N 2.7Å |
| 53 | V | 94.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -36.3 | 176.9 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | S49 L50 V51 D55 D56 L57 L139 V322 | S49-V53 WeakPolarHBondContact O-CB 3.3Å; S49-V53 WeakPolarHBondContact O-CG2 3.47Å; S49-V53 PolarHBondContact O-N 3.28Å; L50-V53 PolarHBondContact O-N 2.73Å; V51-V53 VanDerWaalsContact C-N 3.35Å; V51-V53 PolarHBondContact O-N 3.3Å; V53-D55 PolarHBondContact O-N 3.04Å; V53-D56 PolarHBondContact O-N 3.15Å; V53-L57 HydrophobicContact CG1-CD1 3.67Å; V53-L57 HydrophobicContact CG1-CG 3.98Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 3.33Å; V53-L139 HydrophobicContact CG1-CB 4.13Å; V53-V322 HydrophobicContact CG1-CG2 4.11Å |
| 54 | A | 94.6 | Very high | 93 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L50 V51 R52 L57 L58 V322 L326 | L50-A54 PolarHBondContact O-N 3.25Å; V51-A54 WeakPolarHBondContact O-CB 3.26Å; V51-A54 PolarHBondContact O-N 3.13Å; V51-A54 VanDerWaalsContact O-N 3.12Å; R52-A54 VanDerWaalsContact C-N 3.29Å; R52-A54 PolarHBondContact O-N 3.22Å; A54-L57 PolarHBondContact O-N 2.96Å; A54-L58 PolarHBondContact O-N 2.84Å; A54-V322 HydrophobicContact CB-CG1 3.69Å; A54-L326 HydrophobicContact CB-CD1 3.88Å |
| 55 | D | 94.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 176.8 | -73.4 | -23.9 | 0 | 0 | 0 | 112.3 | V51 R52 V53 L57 L58 K59 | V51-D55 PolarHBondContact O-N 3Å; R52-D55 PolarHBondContact O-N 3.05Å; V53-D55 PolarHBondContact O-N 3.04Å; D55-L57 VanDerWaalsContact C-N 3.35Å; D55-L58 PolarHBondContact O-N 2.9Å; D55-K59 WeakPolarHBondContact O-CG 3.39Å; D55-K59 PolarHBondContact O-N 3.2Å |
| 56 | D | 95.4 | Very high | 94 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.8 | -71.3 | -21.6 | 0 | 0 | 0 | 110.9 | R52 V53 L58 K59 L60 | R52-D56 IonicContact NE-OD2 2.66Å; R52-D56 PolarHBondContact O-N 2.7Å; V53-D56 PolarHBondContact O-N 3.15Å; D56-L58 PolarHBondContact O-N 2.78Å; D56-K59 PolarHBondContact O-N 2.8Å; D56-L60 WeakPolarHBondContact O-CB 3.31Å; D56-L60 PolarHBondContact O-N 2.92Å |
| 57 | L | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.3 | -72.4 | 171.4 | 0 | 0 | 0 | 112.5 | V53 A54 D55 D61 T143 L315 L318 R319 V322 | V53-L57 HydrophobicContact CG1-CD1 3.67Å; V53-L57 HydrophobicContact CG1-CG 3.98Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 3.33Å; A54-L57 PolarHBondContact O-N 2.96Å; D55-L57 VanDerWaalsContact C-N 3.35Å; L57-D61 WeakPolarHBondContact O-CB 3.36Å; L57-D61 PolarHBondContact O-N 3.13Å; L57-T143 HydrophobicContact CD2-CG2 3.97Å; L57-T143 WeakPolarHBondContact CD2-OG1 3.47Å; L57-T143 HydrophobicContact CG-CG2 4.47Å; L57-L315 HydrophobicContact CD2-CD1 3.33Å; L57-L315 HydrophobicContact CD2-CG 4.37Å; L57-L318 HydrophobicContact CD1-CB 4.11Å; L57-L318 HydrophobicContact CD2-CB 3.95Å; L57-L318 HydrophobicContact CD2-CD1 4.11Å; L57-R319 HydrophobicContact CB-CG 3.71Å; L57-R319 HydrophobicContact CD1-CG 4.2Å; L57-R319 HydrophobicContact CG-CG 4.41Å; L57-V322 HydrophobicContact CD1-CB 4.2Å; L57-V322 HydrophobicContact CD1-CG2 3.76Å |
| 58 | L | 94.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.8 | 177.7 | 73.3 | 0 | 0 | 0 | 111 | A54 D55 D56 D61 A62 | A54-L58 PolarHBondContact O-N 2.84Å; D55-L58 PolarHBondContact O-N 2.9Å; D56-L58 PolarHBondContact O-N 2.78Å; L58-D61 PolarHBondContact O-N 3.43Å; L58-A62 PolarHBondContact O-N 3.1Å |
| 59 | K | 96.3 | Very high | 94.9 | Very high | 134 Ų | 134 | 48.5 Ų | 48.5 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65 | -47.8 | 178.7 | -67 | 169.9 | -171.6 | 164.4 | 0 | 111.2 | D55 D56 D61 A62 L63 | D55-K59 WeakPolarHBondContact O-CG 3.39Å; D55-K59 PolarHBondContact O-N 3.2Å; D56-K59 PolarHBondContact O-N 2.8Å; K59-D61 VanDerWaalsContact C-N 3.26Å; K59-D61 PolarHBondContact O-N 2.98Å; K59-A62 PolarHBondContact O-N 3.32Å; K59-L63 WeakPolarHBondContact O-CG 3.41Å; K59-L63 PolarHBondContact O-N 3.29Å |
| 60 | L | 97.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -34.7 | -179.3 | -177 | 54.6 | 0 | 0 | 0 | 111.9 | D56 L63 T64 T143 I146 N147 V150 L315 | D56-L60 WeakPolarHBondContact O-CB 3.31Å; D56-L60 PolarHBondContact O-N 2.92Å; L60-L63 PolarHBondContact O-N 3.22Å; L60-T64 VanDerWaalsContact O-CB 3.31Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 2.84Å; L60-T64 PolarHBondContact O-OG1 3.2Å; L60-T143 HydrophobicContact CD2-CG2 3.89Å; L60-I146 HydrophobicContact CD2-CB 4.33Å; L60-I146 HydrophobicContact CD2-CG2 4.08Å; L60-N147 HydrophobicContact CD1-CB 4.11Å; L60-N147 WeakPolarHBondContact CD1-OD1 3.43Å; L60-N147 HydrophobicContact CD2-CB 3.86Å; L60-V150 HydrophobicContact CD1-CB 4.49Å; L60-V150 HydrophobicContact CD1-CG1 4.48Å; L60-L315 HydrophobicContact CB-CD1 4.44Å; L60-L315 HydrophobicContact CB-CD2 4.23Å; L60-L315 HydrophobicContact CD2-CD1 3.69Å; L60-L315 HydrophobicContact CD2-CD2 4.36Å; L60-L315 HydrophobicContact CG-CD1 4.03Å; L60-L315 HydrophobicContact CG-CD2 3.82Å |
| 61 | D | 96.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 177.3 | -179.6 | 66.6 | 0 | 0 | 0 | 112.4 | L57 L58 K59 T64 E65 W312 L315 K316 R319 | L57-D61 WeakPolarHBondContact O-CB 3.36Å; L57-D61 PolarHBondContact O-N 3.13Å; L58-D61 PolarHBondContact O-N 3.43Å; K59-D61 VanDerWaalsContact C-N 3.26Å; K59-D61 PolarHBondContact O-N 2.98Å; D61-T64 PolarHBondContact O-N 3.46Å; D61-E65 WeakPolarHBondContact O-CB 3.3Å; D61-E65 PolarHBondContact O-N 2.93Å; D61-W312 PolarHBondContact OD1-NE1 3.04Å; D61-L315 VanDerWaalsContact CA-CD2 3.44Å; D61-L315 HydrophobicContact CB-CD2 3.92Å; D61-K316 WeakPolarHBondContact OD1-CD 3.1Å; D61-K316 WeakPolarHBondContact OD1-CE 3.42Å; D61-K316 IonicContact OD1-NZ 2.91Å; D61-K316 PolarHBondContact OD1-NZ 3Å; D61-K316 IonicContact OD2-NZ 2.66Å; D61-K316 PolarHBondContact OD2-NZ 3.3Å; D61-R319 VanDerWaalsContact CG-NH1 3.35Å; D61-R319 IonicContact OD2-CZ 2.7Å; D61-R319 IonicContact OD2-NH1 2.8Å; D61-R319 PolarHBondContact OD2-NH1 2.89Å |
| 62 | A | 95.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 50% | 0.504 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L58 K59 S66 | L58-A62 PolarHBondContact O-N 3.1Å; K59-A62 PolarHBondContact O-N 3.32Å; A62-S66 WeakPolarHBondContact O-CB 3.42Å; A62-S66 PolarHBondContact O-N 3.41Å |
| 63 | L | 96.5 | Very high | 95.4 | Very high | 98 Ų | 98 | 45.1 Ų | 45.1 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.8 | -70.2 | 174.1 | 0 | 0 | 0 | 111.6 | K59 L60 S66 L67 | K59-L63 WeakPolarHBondContact O-CG 3.41Å; K59-L63 PolarHBondContact O-N 3.29Å; L60-L63 PolarHBondContact O-N 3.22Å; L63-S66 WeakPolarHBondContact O-CB 3.48Å; L63-S66 PolarHBondContact O-N 3.48Å; L63-L67 PolarHBondContact O-N 3.3Å |
| 64 | T | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | -179.9 | -53.6 | 0 | 0 | 0 | 0 | 111 | L60 D61 S66 L67 I68 V150 V308 W312 | L60-T64 VanDerWaalsContact O-CB 3.31Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 2.84Å; L60-T64 PolarHBondContact O-OG1 3.2Å; D61-T64 PolarHBondContact O-N 3.46Å; T64-S66 VanDerWaalsContact C-N 3.33Å; T64-S66 PolarHBondContact O-N 3.45Å; T64-L67 PolarHBondContact O-N 3.24Å; T64-I68 HydrophobicContact CG2-CD1 4.22Å; T64-I68 WeakPolarHBondContact O-CG1 3.49Å; T64-I68 PolarHBondContact O-N 2.95Å; T64-V150 HydrophobicContact CG2-CG2 3.94Å; T64-V308 HydrophobicContact CG2-CG1 3.74Å; T64-W312 HydrophobicContact CG2-CB 3.67Å; T64-W312 HydrophobicContact CG2-CG 3.93Å |
| 65 | E | 95.2 | Very high | 95.3 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.2 | -172.6 | -178.1 | 158.5 | 0 | 0 | 111.6 | D61 L67 I68 K69 W312 | D61-E65 WeakPolarHBondContact O-CB 3.3Å; D61-E65 PolarHBondContact O-N 2.93Å; E65-L67 PolarHBondContact O-N 3.35Å; E65-I68 PolarHBondContact O-N 2.81Å; E65-K69 WeakPolarHBondContact O-CG 3.39Å; E65-K69 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact OE1-CE 3.27Å; E65-K69 IonicContact OE1-NZ 3.05Å; E65-K69 PolarHBondContact OE1-NZ 2.79Å; E65-W312 HydrophobicContact CB-CZ2 3.92Å; E65-W312 HydrophobicContact CG-CH2 4.2Å; E65-W312 HydrophobicContact CG-CZ2 3.81Å |
| 66 | S | 95.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 175 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | A62 L63 T64 K69 K70 | A62-S66 WeakPolarHBondContact O-CB 3.42Å; A62-S66 PolarHBondContact O-N 3.41Å; L63-S66 WeakPolarHBondContact O-CB 3.48Å; L63-S66 PolarHBondContact O-N 3.48Å; T64-S66 VanDerWaalsContact C-N 3.33Å; T64-S66 PolarHBondContact O-N 3.45Å; S66-K69 PolarHBondContact O-N 3.5Å; S66-K70 WeakPolarHBondContact O-CG 3.37Å; S66-K70 PolarHBondContact O-N 2.92Å |
| 67 | L | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.4 | 179.7 | 59.8 | 0 | 0 | 0 | 112.1 | L63 T64 E65 K69 K70 T71 V150 V153 E154 L157 V308 | L63-L67 PolarHBondContact O-N 3.3Å; T64-L67 PolarHBondContact O-N 3.24Å; E65-L67 PolarHBondContact O-N 3.35Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 2.6Å; L67-K70 PolarHBondContact O-N 2.94Å; L67-T71 WeakPolarHBondContact O-CB 3.44Å; L67-T71 PolarHBondContact O-N 3.25Å; L67-T71 PolarHBondContact O-OG1 2.89Å; L67-V150 HydrophobicContact CD2-CG1 3.79Å; L67-V150 VanDerWaalsContact CD2-O 3.3Å; L67-V150 WeakPolarHBondContact CD2-O 3.41Å; L67-V153 HydrophobicContact CD2-CB 4.19Å; L67-V153 HydrophobicContact CD2-CG1 4.19Å; L67-E154 HydrophobicContact CD1-CB 3.91Å; L67-E154 HydrophobicContact CD1-CG 4.17Å; L67-E154 HydrophobicContact CD2-CB 4.11Å; L67-L157 HydrophobicContact CD1-CD2 3.75Å; L67-V308 HydrophobicContact CD2-CG1 4.07Å; L67-V308 HydrophobicContact CD2-CG2 4.11Å; L67-V308 HydrophobicContact CG-CG1 4.38Å |
| 68 | I | 95.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.5 | -69.2 | 168.5 | 0 | 0 | 0 | 110.2 | T64 E65 T71 C72 F305 V308 F309 W312 M393 | T64-I68 HydrophobicContact CG2-CD1 4.22Å; T64-I68 WeakPolarHBondContact O-CG1 3.49Å; T64-I68 PolarHBondContact O-N 2.95Å; E65-I68 PolarHBondContact O-N 2.81Å; I68-T71 PolarHBondContact O-N 3.06Å; I68-C72 WeakPolarHBondContact O-CB 3.45Å; I68-C72 PolarHBondContact O-N 3.22Å; I68-F305 HydrophobicContact CG2-CD2 4.31Å; I68-F305 HydrophobicContact CG2-CE2 3.49Å; I68-F305 VanDerWaalsContact CG2-CE2 3.49Å; I68-F305 HydrophobicContact CG2-CZ 3.92Å; I68-V308 HydrophobicContact CD1-CG1 4.14Å; I68-V308 HydrophobicContact CG1-CB 4.3Å; I68-V308 HydrophobicContact CG1-CG1 3.56Å; I68-F309 HydrophobicContact CD1-CB 4.44Å; I68-F309 HydrophobicContact CD1-CD2 4.2Å; I68-F309 HydrophobicContact CG2-CD2 4.4Å; I68-W312 HydrophobicContact CD1-CB 3.69Å; I68-W312 HydrophobicContact CD1-CD2 3.77Å; I68-W312 HydrophobicContact CD1-CE3 3.7Å; I68-W312 HydrophobicContact CD1-CG 3.8Å; I68-M393 HydrophobicContact CG2-CE 3.99Å; I68-M393 HydrophobicContact CG2-CG 4.35Å |
| 69 | K | 94.2 | Very high | 94.3 | Very high | 98 Ų | 98 | 42.7 Ų | 42.7 | 43% | 0.426 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 176.9 | -72.5 | 174.2 | -175.7 | 167.6 | 0 | 111.7 | E65 S66 L67 T71 C72 Q73 M393 | E65-K69 WeakPolarHBondContact O-CG 3.39Å; E65-K69 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact OE1-CE 3.27Å; E65-K69 IonicContact OE1-NZ 3.05Å; E65-K69 PolarHBondContact OE1-NZ 2.79Å; S66-K69 PolarHBondContact O-N 3.5Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 2.6Å; K69-T71 PolarHBondContact O-N 3.04Å; K69-C72 PolarHBondContact O-N 2.84Å; K69-Q73 WeakPolarHBondContact O-CB 3.47Å; K69-Q73 PolarHBondContact O-N 3.22Å; K69-M393 HydrophobicContact CG-CB 4.37Å |
| 70 | K | 95.3 | Very high | 93.6 | Very high | 106 Ų | 106 | 41.6 Ų | 41.6 | 46% | 0.461 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 176.7 | -72 | 173.7 | -174.1 | 175.2 | 0 | 112.1 | S66 L67 Q73 C74 L157 | S66-K70 WeakPolarHBondContact O-CG 3.37Å; S66-K70 PolarHBondContact O-N 2.92Å; L67-K70 PolarHBondContact O-N 2.94Å; K70-Q73 PolarHBondContact O-N 3.47Å; K70-C74 WeakPolarHBondContact O-CB 3.43Å; K70-C74 PolarHBondContact O-N 3.49Å; K70-L157 HydrophobicContact CB-CD2 4.33Å |
| 71 | T | 95.4 | Very high | 92 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 178.9 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | L67 I68 K69 C74 L75 L301 F305 | L67-T71 WeakPolarHBondContact O-CB 3.44Å; L67-T71 PolarHBondContact O-N 3.25Å; L67-T71 PolarHBondContact O-OG1 2.89Å; I68-T71 PolarHBondContact O-N 3.06Å; K69-T71 PolarHBondContact O-N 3.04Å; T71-C74 PolarHBondContact O-N 2.98Å; T71-L75 WeakPolarHBondContact O-CB 3.27Å; T71-L75 PolarHBondContact O-N 3.29Å; T71-L301 HydrophobicContact CG2-CD2 3.98Å; T71-F305 HydrophobicContact CG2-CB 3.9Å; T71-F305 HydrophobicContact CG2-CD2 4.15Å |
| 72 | C | 92.9 | Very high | 90 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 175 | -168 | 0 | 0 | 0 | 0 | 111.8 | I68 K69 L75 K76 F305 M393 | I68-C72 WeakPolarHBondContact O-CB 3.45Å; I68-C72 PolarHBondContact O-N 3.22Å; K69-C72 PolarHBondContact O-N 2.84Å; C72-L75 WeakPolarHBondContact O-CB 3.2Å; C72-L75 PolarHBondContact O-N 3.39Å; C72-K76 WeakPolarHBondContact O-CG 3.32Å; C72-K76 PolarHBondContact O-N 3.43Å; C72-F305 HydrophobicContact CB-CD2 4.32Å; C72-F305 HydrophobicContact CB-CE2 3.79Å; C72-M393 HydrophobicContact CB-CB 4.48Å; C72-M393 PolarHBondContact SG-O 2.79Å |
| 73 | Q | 92.7 | Very high | 87.5 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 178.5 | -177.3 | 56.9 | 35 | 0 | 0 | 111.4 | K69 K70 L75 K76 E77 | K69-Q73 WeakPolarHBondContact O-CB 3.47Å; K69-Q73 PolarHBondContact O-N 3.22Å; K70-Q73 PolarHBondContact O-N 3.47Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.11Å; Q73-K76 WeakPolarHBondContact O-CB 3.31Å; Q73-K76 PolarHBondContact O-N 3.33Å; Q73-K76 VanDerWaalsContact O-N 3.12Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.22Å; Q73-E77 PolarHBondContact NE2-OE1 2.91Å; Q73-E77 WeakPolarHBondContact O-CG 3.33Å; Q73-E77 PolarHBondContact O-N 3.3Å |
| 74 | C | 93.9 | Very high | 84.5 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | K70 T71 K76 E77 V78 L157 F297 L301 | K70-C74 WeakPolarHBondContact O-CB 3.43Å; K70-C74 PolarHBondContact O-N 3.49Å; T71-C74 PolarHBondContact O-N 2.98Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-K76 PolarHBondContact O-N 3.15Å; C74-E77 PolarHBondContact O-N 2.87Å; C74-V78 WeakPolarHBondContact O-CB 3.26Å; C74-V78 WeakPolarHBondContact O-CG2 3.48Å; C74-V78 PolarHBondContact O-N 2.91Å; C74-L157 HydrophobicContact CB-CD1 4.36Å; C74-F297 VanDerWaalsContact SG-CZ 3.59Å; C74-L301 HydrophobicContact CB-CD2 4.34Å |
| 75 | L | 92.9 | Very high | 81.4 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 174.5 | -174.4 | 75 | 0 | 0 | 0 | 111.9 | T71 C72 Q73 M79 Y111 L112 V298 L301 K302 | T71-L75 WeakPolarHBondContact O-CB 3.27Å; T71-L75 PolarHBondContact O-N 3.29Å; C72-L75 WeakPolarHBondContact O-CB 3.2Å; C72-L75 PolarHBondContact O-N 3.39Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.11Å; L75-M79 HydrophobicContact CD1-CG 4.12Å; L75-M79 HydrophobicContact CD1-SD 3.45Å; L75-M79 WeakPolarHBondContact CD1-SD 3.33Å; L75-M79 HydrophobicContact CD2-SD 4.35Å; L75-M79 HydrophobicContact CG-CG 4.44Å; L75-M79 HydrophobicContact CG-SD 3.77Å; L75-M79 VanDerWaalsContact O-CB 3.26Å; L75-M79 WeakPolarHBondContact O-CB 3.46Å; L75-M79 WeakPolarHBondContact O-CG 3.4Å; L75-M79 PolarHBondContact O-N 3.4Å; L75-Y111 HydrophobicContact CD2-CD1 3.89Å; L75-Y111 HydrophobicContact CD2-CE1 3.46Å; L75-Y111 VanDerWaalsContact CD2-CE1 3.46Å; L75-L112 HydrophobicContact CD2-CD2 4.32Å; L75-V298 HydrophobicContact CD1-CG1 4.4Å; L75-L301 HydrophobicContact CB-CD1 4.46Å; L75-L301 HydrophobicContact CD1-CB 3.79Å; L75-L301 HydrophobicContact CD1-CD1 4.12Å; L75-K302 HydrophobicContact CD1-CG 4.13Å |
| 76 | K | 90.9 | Very high | 78.4 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 176.5 | -71.1 | 172.2 | 176.5 | -178.6 | 0 | 111.1 | C72 Q73 C74 V78 M79 E80 L108 L112 M393 E395 | C72-K76 WeakPolarHBondContact O-CG 3.32Å; C72-K76 PolarHBondContact O-N 3.43Å; Q73-K76 WeakPolarHBondContact O-CB 3.31Å; Q73-K76 PolarHBondContact O-N 3.33Å; Q73-K76 VanDerWaalsContact O-N 3.12Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-K76 PolarHBondContact O-N 3.15Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 3.26Å; K76-M79 PolarHBondContact O-N 2.93Å; K76-E80 WeakPolarHBondContact O-CB 3.45Å; K76-E80 VanDerWaalsContact O-CG 3.3Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.42Å; K76-L108 HydrophobicContact CB-CD1 4.32Å; K76-L108 HydrophobicContact CG-CD1 4.39Å; K76-L112 HydrophobicContact CG-CD1 4.44Å; K76-M393 PolarHBondContact NZ-O 2.84Å; K76-M393 VanDerWaalsContact NZ-O 3.1Å; K76-E395 WeakPolarHBondContact CE-O 3.4Å; K76-E395 PolarHBondContact NZ-O 3.07Å |
| 77 | E | 90.1 | Very high | 75.2 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | -180 | -71.9 | 167 | -168 | 0 | 0 | 113.6 | Q73 C74 | Q73-E77 WeakPolarHBondContact CG-OE1 3.22Å; Q73-E77 PolarHBondContact NE2-OE1 2.91Å; Q73-E77 WeakPolarHBondContact O-CG 3.33Å; Q73-E77 PolarHBondContact O-N 3.3Å; C74-E77 PolarHBondContact O-N 2.87Å |
| 78 | V | 90.6 | Very high | 72 | Confident | 12 Ų | 12 | 76.5 Ų | 76.5 | 7% | 0.073 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -76.9 | -39.9 | -179.8 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | C74 K76 Y164 Y294 F297 V298 L301 | C74-V78 WeakPolarHBondContact O-CB 3.26Å; C74-V78 WeakPolarHBondContact O-CG2 3.48Å; C74-V78 PolarHBondContact O-N 2.91Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 3.26Å; V78-Y164 HydrophobicContact CG1-CE1 4.15Å; V78-Y164 HydrophobicContact CG2-CD1 4.19Å; V78-Y164 HydrophobicContact CG2-CE1 3.96Å; V78-Y294 HydrophobicContact CG1-CD2 3.69Å; V78-Y294 HydrophobicContact CG1-CE2 3.73Å; V78-Y294 WeakPolarHBondContact O-CE2 3.33Å; V78-F297 HydrophobicContact CG1-CD1 4.44Å; V78-F297 HydrophobicContact CG2-CD1 4.05Å; V78-F297 HydrophobicContact CG2-CE1 3.77Å; V78-V298 HydrophobicContact CG1-CG2 3.58Å; V78-L301 HydrophobicContact CG2-CD1 4.46Å |
| 79 | M | 88.2 | Confident | 68.9 | Low | 16 Ų | 16 | 83.8 Ų | 83.8 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -90.5 | -14.3 | -174.9 | -68.4 | -175.8 | 63.4 | 0 | 0 | 114.7 | L75 K76 L108 V298 | L75-M79 HydrophobicContact CD1-CG 4.12Å; L75-M79 HydrophobicContact CD1-SD 3.45Å; L75-M79 WeakPolarHBondContact CD1-SD 3.33Å; L75-M79 HydrophobicContact CD2-SD 4.35Å; L75-M79 HydrophobicContact CG-CG 4.44Å; L75-M79 HydrophobicContact CG-SD 3.77Å; L75-M79 VanDerWaalsContact O-CB 3.26Å; L75-M79 WeakPolarHBondContact O-CB 3.46Å; L75-M79 WeakPolarHBondContact O-CG 3.4Å; L75-M79 PolarHBondContact O-N 3.4Å; K76-M79 PolarHBondContact O-N 2.93Å; M79-L108 HydrophobicContact CB-CB 4.18Å; M79-L108 HydrophobicContact CB-CD1 3.93Å; M79-L108 HydrophobicContact CB-CG 4.35Å; M79-L108 HydrophobicContact CE-CB 4.39Å; M79-V298 HydrophobicContact CG-CG1 4.09Å; M79-V298 HydrophobicContact CG-CG2 3.95Å; M79-V298 HydrophobicContact SD-CG1 3.81Å |
| 80 | E | 81.5 | Confident | 65.8 | Low | 111 Ų | 111 | 86 Ų | 86 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -65.3 | 129.9 | 171.4 | -84 | -175.2 | 179.3 | 0 | 0 | 109.8 | K76 T82 L108 | K76-E80 WeakPolarHBondContact O-CB 3.45Å; K76-E80 VanDerWaalsContact O-CG 3.3Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.42Å; E80-T82 PolarHBondContact O-N 2.98Å; E80-L108 HydrophobicContact CG-CD1 3.64Å |
| 81 | P | 63.7 | Low | 63 | Low | 103 Ų | 103 | 88.7 Ų | 88.7 | 67% | 0.669 | 47% | 0.473 | S | S | * | . | trans | -63.4 | 109.3 | 173.7 | 24.7 | -29.6 | 0 | 0 | 0 | 108 | G83 | P81-G83 PolarHBondContact O-N 3.13Š| ||
| 82 | T | 54.8 | Low | 60 | Low | 83 Ų | 83 | 92.8 Ų | 92.8 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | trans | -51.7 | 117.4 | 159.6 | 29.3 | 0 | 0 | 0 | 0 | 106.1 | E80 V84 | E80-T82 PolarHBondContact O-N 2.98Å; T82-V84 PolarHBondContact O-N 3Å | ||
| 83 | G | 42.6 | Very low | 57.2 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 81% | 0.814 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -62.8 | 27.9 | -170 | 0 | 0 | 0 | 0 | 0 | 116.4 | P81 K85 | P81-G83 PolarHBondContact O-N 3.13Å; G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.33Å |
| 84 | V | 34.8 | Very low | 54.4 | Low | 110 Ų | 110 | 100.2 Ų | 100.2 | 67% | 0.667 | 57% | 0.568 | S | S | * | * | trans | -69.5 | 95.2 | 162.7 | -169.4 | 0 | 0 | 0 | 0 | 106.2 | T82 V86 | T82-V84 PolarHBondContact O-N 3Å; V84-V86 HydrophobicContact CG1-CG2 3.85Å; V84-V86 PolarHBondContact O-N 2.8Å | ||
| 85 | K | 32.7 | Very low | 51.3 | Low | 200 Ų | 200 | 107.2 Ų | 107.2 | 87% | 0.87 | 60% | 0.604 | S | S | * | * | trans | -57.4 | 85.2 | 155.1 | -66.4 | 177.6 | -179.2 | 177 | 0 | 106.4 | G83 Q87 | G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.33Å; K85-Q87 PolarHBondContact O-N 3.01Å | ||
| 86 | V | 30.5 | Very low | 48.9 | Very low | 113 Ų | 113 | 116.3 Ų | 116.3 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | trans | -65.3 | 102.4 | 159.3 | 178.8 | 0 | 0 | 0 | 0 | 103.4 | V84 E88 | V84-V86 HydrophobicContact CG1-CG2 3.85Å; V84-V86 PolarHBondContact O-N 2.8Å; V86-E88 PolarHBondContact O-N 3.31Å | ||
| 87 | Q | 29 | Very low | 46 | Very low | 159 Ų | 159 | 117 Ų | 117 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | trans | -62.8 | 95.1 | 171.4 | -159.5 | 170.3 | 29.5 | 0 | 0 | 105.2 | K85 H89 | K85-Q87 PolarHBondContact O-N 3.01Å; Q87-H89 VanDerWaalsContact C-N 3.26Å; Q87-H89 PolarHBondContact O-N 2.83Å | ||
| 88 | E | 29.8 | Very low | 43.2 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | trans | -59.3 | 97.8 | 165.8 | -80.8 | 175.3 | 158.8 | 0 | 0 | 106.2 | V86 D90 | V86-E88 PolarHBondContact O-N 3.31Å; E88-D90 PolarHBondContact O-N 3.37Å | ||
| 89 | H | 29.5 | Very low | 40.4 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -71.4 | 72.7 | 161 | -102.6 | -82.3 | 0 | 0 | 0 | 107.3 | Q87 L91 | Q87-H89 VanDerWaalsContact C-N 3.26Å; Q87-H89 PolarHBondContact O-N 2.83Å; H89-L91 PolarHBondContact O-N 3.47Å | ||
| 90 | D | 30.4 | Very low | 37.7 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -73.5 | 112.1 | 161.1 | -92.5 | -14.4 | 0 | 0 | 0 | 107.5 | E88 A92 | E88-D90 PolarHBondContact O-N 3.37Å; D90-A92 PolarHBondContact O-N 2.84Å | ||
| 91 | L | 35.7 | Very low | 35.5 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -65.2 | 116 | 172.8 | -76.1 | 162.9 | 0 | 0 | 0 | 109.2 | H89 | H89-L91 PolarHBondContact O-N 3.47Š| ||
| 92 | A | 32.3 | Very low | 34.1 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -8.9 | 122.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | D90 | D90-A92 PolarHBondContact O-N 2.84Š| ||
| 93 | N | 34.3 | Very low | 33.6 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | -149.2 | 125.4 | 120.8 | -108.4 | -10.5 | 0 | 0 | 0 | 108.9 | |||||
| 94 | G | 33.9 | Very low | 34 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -79.1 | 157.9 | -165 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 95 | D | 29.4 | Very low | 35.2 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | -159.6 | 146.3 | 129.4 | -158.3 | 5.5 | 0 | 0 | 0 | 109.9 | G97 | D95-G97 PolarHBondContact O-N 2.8Š| |||
| 96 | H | 42.7 | Very low | 37.3 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 118.3 | -173.9 | -88.8 | -71.2 | 0 | 0 | 0 | 112.1 | ||||
| 97 | G | 29.8 | Very low | 39.7 | Very low | 48 Ų | 48 | 131.7 Ų | 131.7 | 50% | 0.495 | 75% | 0.752 | S | S | . | * | trans | -154.4 | 106.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D95 H99 | D95-G97 PolarHBondContact O-N 2.8Å; G97-H99 PolarHBondContact O-N 3.39Å; G97-H99 VanDerWaalsContact O-N 3.14Å | ||
| 98 | T | 31.8 | Very low | 42.3 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 93% | 0.933 | 72% | 0.718 | S | S | * | * | trans | 2 | 91.8 | 161.2 | 32.1 | 0 | 0 | 0 | 0 | 117.1 | Q100 | T98-Q100 PolarHBondContact O-N 2.9Å; T98-Q100 VanDerWaalsContact O-N 3.12Å | ||
| 99 | H | 31.2 | Very low | 45 | Very low | 182 Ų | 182 | 120.9 Ų | 120.9 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -79.9 | 91.8 | 169.6 | -78.4 | -73.3 | 0 | 0 | 0 | 111.2 | G97 K101 | G97-H99 PolarHBondContact O-N 3.39Å; G97-H99 VanDerWaalsContact O-N 3.14Å; H99-K101 PolarHBondContact O-N 3.21Å; H99-K101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | Q | 30.5 | Very low | 47.7 | Very low | 185 Ų | 185 | 117.3 Ų | 117.3 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | trans | -60.1 | 108.5 | 153.3 | -156.8 | 168.5 | 28.8 | 0 | 0 | 107.1 | T98 S102 | T98-Q100 PolarHBondContact O-N 2.9Å; T98-Q100 VanDerWaalsContact O-N 3.12Å; Q100-S102 PolarHBondContact O-N 2.97Å | ||
| 101 | K | 35.5 | Very low | 50.4 | Low | 207 Ų | 207 | 112.4 Ų | 112.4 | 90% | 0.9 | 66% | 0.661 | S | S | * | * | trans | -66.5 | 78.1 | 170.6 | -76.4 | 178.1 | 177.6 | 174.6 | 0 | 108.8 | H99 A103 | H99-K101 PolarHBondContact O-N 3.21Å; H99-K101 VanDerWaalsContact O-N 3.15Å; K101-A103 PolarHBondContact O-N 3.13Å | ||
| 102 | S | 34.8 | Very low | 52.8 | Low | 104 Ų | 104 | 104.8 Ų | 104.8 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -61.1 | 113.1 | 160 | 173.2 | 0 | 0 | 0 | 0 | 106.4 | Q100 A104 | Q100-S102 PolarHBondContact O-N 2.97Å; S102-A104 VanDerWaalsContact C-N 3.32Å; S102-A104 PolarHBondContact O-N 2.68Å | ||
| 103 | A | 43.8 | Very low | 55.5 | Low | 87 Ų | 87 | 103.2 Ų | 103.2 | 72% | 0.719 | 61% | 0.608 | S | S | * | * | trans | -59.4 | 98.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | K101 T105 | K101-A103 PolarHBondContact O-N 3.13Å; A103-T105 PolarHBondContact O-N 3.43Å | ||
| 104 | A | 51.6 | Low | 58 | Low | 97 Ų | 97 | 98.1 Ų | 98.1 | 80% | 0.802 | 59% | 0.586 | S | S | * | * | trans | -55.6 | 104.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S102 S106 | S102-A104 VanDerWaalsContact C-N 3.32Å; S102-A104 PolarHBondContact O-N 2.68Å; A104-S106 PolarHBondContact O-N 2.87Å | ||
| 105 | T | 60 | Low | 60.6 | Low | 85 Ų | 85 | 94.7 Ų | 94.7 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | trans | -63.5 | 123.5 | 179.2 | -62.5 | 0 | 0 | 0 | 0 | 106.9 | A103 K109 | A103-T105 PolarHBondContact O-N 3.43Å; T105-K109 HydrophobicContact CG2-CB 3.84Å; T105-K109 HydrophobicContact CG2-CD 4.1Å; T105-K109 HydrophobicContact CG2-CG 3.83Å | ||
| 106 | S | 76.8 | Confident | 63.4 | Low | 41 Ų | 41 | 90.7 Ų | 90.7 | 29% | 0.287 | 52% | 0.522 | S | S | . | . | trans | -46.4 | 134.5 | -179 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | A104 L108 K109 T110 | A104-S106 PolarHBondContact O-N 2.87Å; S106-L108 PolarHBondContact O-N 2.86Å; S106-L108 PolarHBondContact OG-N 3.31Å; S106-K109 WeakPolarHBondContact O-CA 3.43Å; S106-K109 WeakPolarHBondContact O-CB 3.4Å; S106-K109 PolarHBondContact O-N 2.67Å; S106-T110 PolarHBondContact O-N 3.1Å; S106-T110 VanDerWaalsContact O-N 3.1Å | ||
| 107 | P | 80.7 | Confident | 65.6 | Low | 99 Ų | 99 | 86.1 Ų | 86.1 | 64% | 0.643 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -52 | -32.2 | 177.8 | -28.2 | 34.8 | 0 | 0 | 0 | 113.4 | Y111 | P107-Y111 VanDerWaalsContact O-CB 3.31Å; P107-Y111 WeakPolarHBondContact O-CB 3.41Å; P107-Y111 PolarHBondContact O-N 3.49Å |
| 108 | L | 84.1 | Confident | 68.4 | Low | 6 Ų | 6 | 87.5 Ų | 87.5 | 3% | 0.031 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 172.8 | 179.7 | 162.7 | 0 | 0 | 0 | 111.6 | K76 M79 E80 S106 Y111 L112 I396 | K76-L108 HydrophobicContact CB-CD1 4.32Å; K76-L108 HydrophobicContact CG-CD1 4.39Å; M79-L108 HydrophobicContact CB-CB 4.18Å; M79-L108 HydrophobicContact CB-CD1 3.93Å; M79-L108 HydrophobicContact CB-CG 4.35Å; M79-L108 HydrophobicContact CE-CB 4.39Å; E80-L108 HydrophobicContact CG-CD1 3.64Å; S106-L108 PolarHBondContact O-N 2.86Å; S106-L108 PolarHBondContact OG-N 3.31Å; L108-Y111 PolarHBondContact O-N 2.95Å; L108-L112 HydrophobicContact CD2-CD1 3.53Å; L108-L112 HydrophobicContact CD2-CG 4.15Å; L108-L112 HydrophobicContact CG-CD1 4.27Å; L108-L112 WeakPolarHBondContact O-CB 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.39Å; L108-I396 HydrophobicContact CD2-CD1 3.49Å; L108-I396 VanDerWaalsContact CD2-CD1 3.49Å; L108-I396 HydrophobicContact CD2-CG1 3.78Å |
| 109 | K | 85.4 | Confident | 71.1 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 179.4 | -174.7 | 164.2 | -172.4 | 175.2 | 0 | 112 | T105 S106 A113 I396 E398 | T105-K109 HydrophobicContact CG2-CB 3.84Å; T105-K109 HydrophobicContact CG2-CD 4.1Å; T105-K109 HydrophobicContact CG2-CG 3.83Å; S106-K109 WeakPolarHBondContact O-CA 3.43Å; S106-K109 WeakPolarHBondContact O-CB 3.4Å; S106-K109 PolarHBondContact O-N 2.67Å; K109-A113 VanDerWaalsContact O-CB 3.32Å; K109-A113 WeakPolarHBondContact O-CB 3.21Å; K109-A113 PolarHBondContact O-N 3.12Å; K109-I396 HydrophobicContact CB-CD1 3.54Å; K109-I396 HydrophobicContact CD-CD1 4.37Å; K109-I396 HydrophobicContact CG-CD1 3.7Å; K109-E398 IonicContact NZ-OE1 2.7Å; K109-E398 PolarHBondContact NZ-OE1 3.11Å |
| 110 | T | 86.5 | Confident | 73.8 | Confident | 82 Ų | 82 | 73 Ų | 73 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 174.4 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | S106 A113 S114 | S106-T110 PolarHBondContact O-N 3.1Å; S106-T110 VanDerWaalsContact O-N 3.1Å; T110-A113 PolarHBondContact O-N 3.23Å; T110-S114 PolarHBondContact O-N 3.3Å |
| 111 | Y | 87.4 | Confident | 76.6 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 179.6 | 176.5 | -101.8 | 0 | 0 | 0 | 112.7 | L75 P107 L108 A113 S114 L115 K302 | L75-Y111 HydrophobicContact CD2-CD1 3.89Å; L75-Y111 HydrophobicContact CD2-CE1 3.46Å; L75-Y111 VanDerWaalsContact CD2-CE1 3.46Å; P107-Y111 VanDerWaalsContact O-CB 3.31Å; P107-Y111 WeakPolarHBondContact O-CB 3.41Å; P107-Y111 PolarHBondContact O-N 3.49Å; L108-Y111 PolarHBondContact O-N 2.95Å; Y111-A113 VanDerWaalsContact C-N 3.32Å; Y111-A113 PolarHBondContact O-N 2.87Å; Y111-S114 PolarHBondContact O-N 2.95Å; Y111-L115 HydrophobicContact CE1-CB 4.35Å; Y111-L115 HydrophobicContact CE1-CD2 3.71Å; Y111-L115 VanDerWaalsContact O-CB 3.27Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 2.9Å; Y111-K302 HydrophobicContact CD2-CD 3.98Å; Y111-K302 HydrophobicContact CE1-CD 4.22Å; Y111-K302 HydrophobicContact CE1-CG 3.87Å; Y111-K302 HydrophobicContact CE2-CB 4.36Å; Y111-K302 HydrophobicContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CE 3.5Å; Y111-K302 HydrophobicContact CE2-CG 3.81Å; Y111-K302 VanDerWaalsContact OH-CB 3.27Å; Y111-K302 WeakPolarHBondContact OH-CB 3.21Å; Y111-K302 VanDerWaalsContact OH-CG 3.26Å; Y111-K302 WeakPolarHBondContact OH-CG 3.38Å |
| 112 | L | 87.1 | Confident | 79.1 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 179.5 | -70.5 | -176.5 | 0 | 0 | 0 | 112 | L75 K76 L108 L115 R116 I396 | L75-L112 HydrophobicContact CD2-CD2 4.32Å; K76-L112 HydrophobicContact CG-CD1 4.44Å; L108-L112 HydrophobicContact CD2-CD1 3.53Å; L108-L112 HydrophobicContact CD2-CG 4.15Å; L108-L112 HydrophobicContact CG-CD1 4.27Å; L108-L112 WeakPolarHBondContact O-CB 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.39Å; L112-L115 HydrophobicContact CD2-CD2 4.24Å; L112-R116 VanDerWaalsContact O-CB 3.26Å; L112-R116 WeakPolarHBondContact O-CB 3.37Å; L112-R116 PolarHBondContact O-N 3.16Å; L112-I396 HydrophobicContact CB-CD1 4.43Å; L112-I396 HydrophobicContact CD1-CD1 3.93Å; L112-I396 HydrophobicContact CD1-CG1 3.6Å |
| 113 | A | 87.5 | Confident | 81.8 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K109 T110 Y111 R116 V117 | K109-A113 VanDerWaalsContact O-CB 3.32Å; K109-A113 WeakPolarHBondContact O-CB 3.21Å; K109-A113 PolarHBondContact O-N 3.12Å; T110-A113 PolarHBondContact O-N 3.23Å; Y111-A113 VanDerWaalsContact C-N 3.32Å; Y111-A113 PolarHBondContact O-N 2.87Å; A113-R116 WeakPolarHBondContact O-CB 3.11Å; A113-R116 PolarHBondContact O-N 3.5Å; A113-V117 WeakPolarHBondContact O-CG2 3.43Å; A113-V117 PolarHBondContact O-N 3.42Å; A113-V117 VanDerWaalsContact O-N 3.16Å |
| 114 | S | 88.4 | Confident | 84.1 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -50.5 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | T110 Y111 R116 V117 D118 | T110-S114 PolarHBondContact O-N 3.3Å; Y111-S114 PolarHBondContact O-N 2.95Å; S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 2.87Å; S114-V117 PolarHBondContact O-N 2.89Å; S114-V117 VanDerWaalsContact O-N 3.12Å; S114-D118 PolarHBondContact O-N 2.96Å |
| 115 | L | 88.4 | Confident | 86 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 179.9 | 178.4 | 63.9 | 0 | 0 | 0 | 111.4 | Y111 L112 D118 L119 F305 L394 | Y111-L115 HydrophobicContact CE1-CB 4.35Å; Y111-L115 HydrophobicContact CE1-CD2 3.71Å; Y111-L115 VanDerWaalsContact O-CB 3.27Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 2.9Å; L112-L115 HydrophobicContact CD2-CD2 4.24Å; L115-D118 PolarHBondContact O-N 3.21Å; L115-L119 HydrophobicContact CD1-CD1 4.35Å; L115-L119 HydrophobicContact CD1-CG 4.13Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 HydrophobicContact CG-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.88Å; L115-F305 HydrophobicContact CD1-CD1 4.14Å; L115-F305 HydrophobicContact CD1-CE1 4.24Å; L115-F305 HydrophobicContact CD2-CD1 3.68Å; L115-F305 HydrophobicContact CD2-CE1 3.55Å; L115-F305 HydrophobicContact CD2-CZ 4.43Å; L115-F305 HydrophobicContact CG-CD1 4.35Å; L115-F305 HydrophobicContact CG-CE1 4.1Å; L115-L394 HydrophobicContact CD2-CD2 3.94Å; L115-L394 HydrophobicContact CG-CD2 4.3Å |
| 116 | R | 87.4 | Confident | 87.6 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.9 | -51.8 | 174.9 | -178.1 | -177.6 | -178.4 | 145 | 7.5 | 110.8 | L112 A113 S114 D118 L119 M120 L394 | L112-R116 VanDerWaalsContact O-CB 3.26Å; L112-R116 WeakPolarHBondContact O-CB 3.37Å; L112-R116 PolarHBondContact O-N 3.16Å; A113-R116 WeakPolarHBondContact O-CB 3.11Å; A113-R116 PolarHBondContact O-N 3.5Å; S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 2.87Å; R116-D118 VanDerWaalsContact C-N 3.32Å; R116-D118 PolarHBondContact O-N 3.13Å; R116-L119 PolarHBondContact O-N 3.38Å; R116-M120 HydrophobicContact CG-CE 3.77Å; R116-M120 HydrophobicContact CG-CG 4.42Å; R116-M120 VanDerWaalsContact O-CG 3.22Å; R116-M120 WeakPolarHBondContact O-CG 3.34Å; R116-M120 PolarHBondContact O-N 3.11Å; R116-L394 HydrophobicContact CB-CD1 4.37Å; R116-L394 HydrophobicContact CG-CD1 4.46Å |
| 117 | V | 88.3 | Confident | 88.5 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.2 | -45.9 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | A113 S114 L119 M120 N121 | A113-V117 WeakPolarHBondContact O-CG2 3.43Å; A113-V117 PolarHBondContact O-N 3.42Å; A113-V117 VanDerWaalsContact O-N 3.16Å; S114-V117 PolarHBondContact O-N 2.89Å; S114-V117 VanDerWaalsContact O-N 3.12Å; V117-L119 PolarHBondContact O-N 2.9Å; V117-M120 PolarHBondContact O-N 3.25Å; V117-N121 PolarHBondContact O-N 3.04Å |
| 118 | D | 88.4 | Confident | 89.2 | Confident | 77 Ų | 77 | 57.8 Ų | 57.8 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 179.3 | -71.2 | -27.2 | 0 | 0 | 0 | 112.2 | S114 L115 R116 N121 R122 | S114-D118 PolarHBondContact O-N 2.96Å; L115-D118 PolarHBondContact O-N 3.21Å; R116-D118 VanDerWaalsContact C-N 3.32Å; R116-D118 PolarHBondContact O-N 3.13Å; D118-N121 PolarHBondContact O-N 2.86Å; D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-N 3.49Å |
| 119 | L | 89.2 | Confident | 89.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 177.3 | -70.5 | -170.6 | 0 | 0 | 0 | 111.8 | L115 R116 V117 N121 R122 I123 F305 F309 L394 | L115-L119 HydrophobicContact CD1-CD1 4.35Å; L115-L119 HydrophobicContact CD1-CG 4.13Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 HydrophobicContact CG-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.88Å; R116-L119 PolarHBondContact O-N 3.38Å; V117-L119 PolarHBondContact O-N 2.9Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 PolarHBondContact O-N 3.48Å; L119-R122 PolarHBondContact O-N 3.3Å; L119-R122 VanDerWaalsContact O-N 3.14Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.16Å; L119-I123 PolarHBondContact O-N 3.35Å; L119-F305 HydrophobicContact CD1-CE1 3.68Å; L119-F305 HydrophobicContact CD1-CZ 4.37Å; L119-F309 HydrophobicContact CB-CE1 4.15Å; L119-F309 HydrophobicContact CB-CZ 4.46Å; L119-F309 HydrophobicContact CD1-CD1 3.95Å; L119-F309 HydrophobicContact CD1-CD2 3.82Å; L119-F309 HydrophobicContact CD1-CE1 4.06Å; L119-F309 HydrophobicContact CD1-CE2 3.96Å; L119-F309 HydrophobicContact CD1-CG 3.82Å; L119-F309 HydrophobicContact CD1-CZ 4.08Å; L119-F309 HydrophobicContact CD2-CB 4.36Å; L119-F309 HydrophobicContact CD2-CD1 3.49Å; L119-F309 VanDerWaalsContact CD2-CD1 3.49Å; L119-F309 HydrophobicContact CD2-CE1 3.94Å; L119-F309 HydrophobicContact CD2-CG 3.95Å; L119-F309 HydrophobicContact CG-CD1 4.18Å; L119-F309 HydrophobicContact CG-CE1 4.26Å; L119-F309 HydrophobicContact CG-CG 4.48Å; L119-L394 HydrophobicContact CD1-CD1 3.85Å; L119-L394 HydrophobicContact CD1-CD2 4.37Å |
| 120 | M | 87.3 | Confident | 90.3 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 14% | 0.143 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 175.9 | -64 | -36.6 | 168.7 | 0 | 0 | 111.6 | F4 R116 V117 R122 I123 T124 T391 | F4-M120 HydrophobicContact CD2-SD 4.3Å; F4-M120 HydrophobicContact CE2-CE 3.87Å; F4-M120 HydrophobicContact CE2-SD 3.21Å; F4-M120 WeakPolarHBondContact CE2-SD 3.38Å; F4-M120 HydrophobicContact CZ-CG 4.42Å; F4-M120 HydrophobicContact CZ-SD 3.45Å; F4-M120 WeakPolarHBondContact CZ-SD 3.47Å; R116-M120 HydrophobicContact CG-CE 3.77Å; R116-M120 HydrophobicContact CG-CG 4.42Å; R116-M120 VanDerWaalsContact O-CG 3.22Å; R116-M120 WeakPolarHBondContact O-CG 3.34Å; R116-M120 PolarHBondContact O-N 3.11Å; V117-M120 PolarHBondContact O-N 3.25Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.24Å; M120-I123 PolarHBondContact O-N 3Å; M120-I123 HydrophobicContact SD-CD1 4.28Å; M120-T124 WeakPolarHBondContact O-CB 3.34Å; M120-T124 VanDerWaalsContact O-CG2 3.31Å; M120-T124 WeakPolarHBondContact O-CG2 3.44Å; M120-T124 PolarHBondContact O-N 3.38Å; M120-T124 PolarHBondContact O-OG1 3.5Å; M120-T391 HydrophobicContact CE-CG2 3.82Å; M120-T391 HydrophobicContact SD-CG2 4.42Å |
| 121 | N | 90.2 | Very high | 90.7 | Very high | 73 Ų | 73 | 63.3 Ų | 63.3 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 175.7 | -177.3 | 58.2 | 0 | 0 | 0 | 111.7 | V117 D118 L119 T124 K125 | V117-N121 PolarHBondContact O-N 3.04Å; D118-N121 PolarHBondContact O-N 2.86Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 PolarHBondContact O-N 3.48Å; N121-T124 PolarHBondContact O-OG1 2.84Å; N121-K125 WeakPolarHBondContact O-CB 3.44Å; N121-K125 PolarHBondContact O-N 3.32Å; N121-K125 WeakPolarHBondContact OD1-CD 3.13Å; N121-K125 VanDerWaalsContact OD1-CE 3.3Å; N121-K125 WeakPolarHBondContact OD1-CE 3.32Å; N121-K125 PolarHBondContact OD1-NZ 3.41Å |
| 122 | R | 88.5 | Confident | 91.1 | Very high | 131 Ų | 131 | 64.5 Ų | 64.5 | 49% | 0.494 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 176 | -71.8 | 174.7 | -172 | -83.1 | -0.3 | 113.2 | D118 L119 M120 K125 F126 | D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-N 3.49Å; L119-R122 PolarHBondContact O-N 3.3Å; L119-R122 VanDerWaalsContact O-N 3.14Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.24Å; R122-K125 CarbonylContact O-C 3.59Å; R122-F126 WeakPolarHBondContact O-CA 3.35Å; R122-F126 PolarHBondContact O-N 2.91Å; R122-F126 VanDerWaalsContact O-N 3.16Å |
| 123 | I | 90.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.2 | -48.1 | 178.6 | -63.6 | 165.1 | 0 | 0 | 0 | 110.3 | F4 L119 M120 K125 F126 F309 I313 L338 | F4-I123 HydrophobicContact CD1-CG2 4.16Å; F4-I123 HydrophobicContact CE1-CG2 4.49Å; F4-I123 HydrophobicContact CG-CG2 4.4Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.16Å; L119-I123 PolarHBondContact O-N 3.35Å; M120-I123 PolarHBondContact O-N 3Å; M120-I123 HydrophobicContact SD-CD1 4.28Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.02Å; I123-F126 WeakPolarHBondContact O-CB 3.2Å; I123-F126 PolarHBondContact O-N 3.36Å; I123-F309 HydrophobicContact CD1-CE1 3.69Å; I123-F309 HydrophobicContact CD1-CZ 3.51Å; I123-F309 HydrophobicContact CG1-CE1 3.75Å; I123-F309 HydrophobicContact CG1-CZ 4.09Å; I123-I313 HydrophobicContact CD1-CD1 4.5Å; I123-I313 HydrophobicContact CG1-CD1 4.03Å; I123-I313 HydrophobicContact CG1-CG1 4.28Å; I123-L338 HydrophobicContact CG2-CD1 3.89Å; I123-L338 HydrophobicContact CG2-CD2 3.62Å; I123-L338 HydrophobicContact CG2-CG 4.39Å |
| 124 | T | 91.1 | Very high | 92 | Very high | 31 Ų | 31 | 64 Ų | 64 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -28.9 | -177.4 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | F4 W35 M120 N121 L338 | F4-T124 HydrophobicContact CE1-CG2 4.24Å; W35-T124 HydrophobicContact CD2-CG2 4.1Å; W35-T124 HydrophobicContact CE3-CG2 4.08Å; W35-T124 HydrophobicContact CH2-CG2 3.63Å; W35-T124 HydrophobicContact CZ2-CG2 3.74Å; W35-T124 HydrophobicContact CZ3-CG2 3.85Å; M120-T124 WeakPolarHBondContact O-CB 3.34Å; M120-T124 VanDerWaalsContact O-CG2 3.31Å; M120-T124 WeakPolarHBondContact O-CG2 3.44Å; M120-T124 PolarHBondContact O-N 3.38Å; M120-T124 PolarHBondContact O-OG1 3.5Å; N121-T124 PolarHBondContact O-OG1 2.84Å; T124-L338 HydrophobicContact CG2-CD2 4.19Å |
| 125 | K | 91.9 | Very high | 92.4 | Very high | 145 Ų | 145 | 63.1 Ų | 63.1 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 35.8 | 175 | -58.9 | 178.8 | -176.7 | 156.6 | 0 | 112.1 | N121 R122 I123 Q127 | N121-K125 WeakPolarHBondContact O-CB 3.44Å; N121-K125 PolarHBondContact O-N 3.32Å; N121-K125 WeakPolarHBondContact OD1-CD 3.13Å; N121-K125 VanDerWaalsContact OD1-CE 3.3Å; N121-K125 WeakPolarHBondContact OD1-CE 3.32Å; N121-K125 PolarHBondContact OD1-NZ 3.41Å; R122-K125 CarbonylContact O-C 3.59Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.02Å; K125-Q127 PolarHBondContact O-N 3.08Å |
| 126 | F | 94.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 66.6 Ų | 66.6 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | trans | -54.8 | 132.1 | -179.8 | 173.3 | -98.5 | 0 | 0 | 0 | 111.6 | F37 S38 R122 I123 W128 I313 H314 A317 | F37-F126 HydrophobicContact CD1-CD1 4.06Å; F37-F126 HydrophobicContact CD1-CE1 4.32Å; F37-F126 HydrophobicContact CD2-CB 3.89Å; F37-F126 AromaticContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CG 4.11Å; F37-F126 AromaticContact CE1-CD1 3.53Å; F37-F126 HydrophobicContact CE1-CD1 3.53Å; F37-F126 AromaticContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CG 4.24Å; F37-F126 HydrophobicContact CE1-CZ 4.25Å; F37-F126 HydrophobicContact CE2-CB 3.43Å; F37-F126 VanDerWaalsContact CE2-CB 3.43Å; F37-F126 AromaticContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD1 3.43Å; F37-F126 VanDerWaalsContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD2 4.06Å; F37-F126 HydrophobicContact CE2-CE1 4.18Å; F37-F126 AromaticContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CG-CD1 4.27Å; F37-F126 HydrophobicContact CZ-CB 4.07Å; F37-F126 AromaticContact CZ-CD1 3.18Å; F37-F126 HydrophobicContact CZ-CD1 3.18Å; F37-F126 AromaticContact CZ-CD2 3.91Å; F37-F126 HydrophobicContact CZ-CD2 3.91Å; F37-F126 AromaticContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE1 3.44Å; F37-F126 VanDerWaalsContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE2 4.13Å; F37-F126 AromaticContact CZ-CG 3.42Å; F37-F126 HydrophobicContact CZ-CG 3.42Å; F37-F126 VanDerWaalsContact CZ-CG 3.42Å; F37-F126 AromaticContact CZ-CZ 3.91Å; F37-F126 HydrophobicContact CZ-CZ 3.91Å; S38-F126 WeakPolarHBondContact O-CE1 3.22Å; R122-F126 WeakPolarHBondContact O-CA 3.35Å; R122-F126 PolarHBondContact O-N 2.91Å; R122-F126 VanDerWaalsContact O-N 3.16Å; I123-F126 WeakPolarHBondContact O-CB 3.2Å; I123-F126 PolarHBondContact O-N 3.36Å; F126-W128 HydrophobicContact CZ-CB 4.49Å; F126-W128 HydrophobicContact CZ-CE3 4.12Å; F126-I313 HydrophobicContact CD2-CG2 3.48Å; F126-I313 VanDerWaalsContact CD2-CG2 3.48Å; F126-I313 HydrophobicContact CE2-CG2 3.76Å; F126-I313 HydrophobicContact CG-CG2 4.26Å; F126-H314 AromaticContact CE2-CE1 3.85Å; F126-H314 AromaticContact CE2-NE2 3.86Å; F126-A317 HydrophobicContact CE1-CB 4.23Å; F126-A317 HydrophobicContact CZ-CB 3.96Å | ||
| 127 | Q | 94.2 | Very high | 93.1 | Very high | 163 Ų | 163 | 65.5 Ų | 65.5 | 76% | 0.762 | 35% | 0.348 | S | S | * | . | trans | -133 | 139.6 | 166.7 | -66 | -172.1 | 4.5 | 0 | 0 | 108.2 | K125 D129 | K125-Q127 PolarHBondContact O-N 3.08Å; Q127-D129 PolarHBondContact O-N 3.22Å | ||
| 128 | W | 96.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -65.7 | 124.1 | 176.9 | -176.6 | -85.3 | 0 | 0 | 0 | 111.2 | P40 L42 F126 K130 Y133 L142 H314 A317 L318 | P40-W128 HydrophobicContact CG-CB 3.77Å; P40-W128 HydrophobicContact CG-CD2 3.78Å; P40-W128 HydrophobicContact CG-CE3 4.39Å; P40-W128 HydrophobicContact CG-CG 3.46Å; P40-W128 VanDerWaalsContact CG-CG 3.46Å; L42-W128 HydrophobicContact CD1-CH2 4.24Å; L42-W128 HydrophobicContact CD2-CH2 4.41Å; L42-W128 HydrophobicContact CD2-CZ2 3.97Å; F126-W128 HydrophobicContact CZ-CB 4.49Å; F126-W128 HydrophobicContact CZ-CE3 4.12Å; W128-K130 PolarHBondContact O-N 2.95Å; W128-Y133 HydrophobicContact CZ2-CG 4.41Å; W128-Y133 PolarHBondContact NE1-O 2.91Å; W128-L142 HydrophobicContact CZ2-CD1 4.19Å; W128-H314 AromaticContact CE3-CD2 3.88Å; W128-A317 HydrophobicContact CE3-CB 4.27Å; W128-A317 HydrophobicContact CZ3-CB 3.99Å; W128-L318 HydrophobicContact CH2-CD1 4.49Å; W128-L318 HydrophobicContact CH2-CD2 3.61Å; W128-L318 HydrophobicContact CH2-CG 3.81Å; W128-L318 HydrophobicContact CZ3-CD2 4.27Å; W128-L318 HydrophobicContact CZ3-CG 4.26Å | ||
| 129 | D | 96 | Very high | 93.8 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | trans | -76.1 | 89.5 | 176.1 | -172.1 | -18 | 0 | 0 | 0 | 110.4 | Q127 A131 K132 Y133 H314 | Q127-D129 PolarHBondContact O-N 3.22Å; D129-A131 PolarHBondContact O-N 3.37Å; D129-A131 PolarHBondContact OD1-N 2.93Å; D129-A131 VanDerWaalsContact OD1-N 3.11Å; D129-K132 HydrophobicContact CB-CB 4.25Å; D129-K132 VanDerWaalsContact CG-CB 3.47Å; D129-K132 PolarHBondContact O-N 3.05Å; D129-K132 PolarHBondContact OD1-N 3.43Å; D129-K132 WeakPolarHBondContact OD2-CB 3.28Å; D129-Y133 HydrophobicContact CB-CD2 4.15Å; D129-Y133 WeakPolarHBondContact O-CA 3.43Å; D129-Y133 PolarHBondContact O-N 3.49Å; D129-H314 WeakPolarHBondContact CB-NE2 3.38Å; D129-H314 PolarHBondContact N-NE2 3.5Å | ||
| 130 | K | 95.7 | Very high | 94 | Very high | 137 Ų | 137 | 62 Ų | 62 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.8 | 179.3 | -65.3 | -177 | 179.7 | -177.7 | 0 | 113.4 | W128 P134 T135 | W128-K130 PolarHBondContact O-N 2.95Å; K130-P134 WeakPolarHBondContact O-CA 3.39Å; K130-T135 HydrophobicContact CG-CG2 4.38Å |
| 131 | A | 96.1 | Very high | 94.5 | Very high | 94 Ų | 94 | 63 Ų | 63 | 78% | 0.777 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -40.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D129 | D129-A131 PolarHBondContact O-N 3.37Å; D129-A131 PolarHBondContact OD1-N 2.93Å; D129-A131 VanDerWaalsContact OD1-N 3.11Å |
| 132 | K | 95.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -35.1 | 179.9 | -165.3 | 175.6 | 179.3 | -164.7 | 0 | 113.7 | D129 P134 E149 | D129-K132 HydrophobicContact CB-CB 4.25Å; D129-K132 VanDerWaalsContact CG-CB 3.47Å; D129-K132 PolarHBondContact O-N 3.05Å; D129-K132 PolarHBondContact OD1-N 3.43Å; D129-K132 WeakPolarHBondContact OD2-CB 3.28Å; K132-P134 WeakPolarHBondContact O-CD 3.42Å; K132-E149 WeakPolarHBondContact CE-OE2 3.41Å; K132-E149 IonicContact NZ-OE1 3.86Å; K132-E149 PolarHBondContact NZ-OE1 3.42Å; K132-E149 IonicContact NZ-OE2 3.78Å; K132-E149 PolarHBondContact NZ-OE2 3.18Å |
| 133 | Y | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -124.9 | 77.1 | -179 | -49.9 | -64.8 | 0 | 0 | 0 | 110.2 | W128 D129 T135 I145 I146 E149 H314 | W128-Y133 HydrophobicContact CZ2-CG 4.41Å; W128-Y133 PolarHBondContact NE1-O 2.91Å; D129-Y133 HydrophobicContact CB-CD2 4.15Å; D129-Y133 WeakPolarHBondContact O-CA 3.43Å; D129-Y133 PolarHBondContact O-N 3.49Å; Y133-T135 PolarHBondContact O-N 3.11Å; Y133-I145 HydrophobicContact CD1-CG2 4.14Å; Y133-I145 HydrophobicContact CE1-CG2 3.98Å; Y133-I146 HydrophobicContact CD1-CD1 4.49Å; Y133-I146 HydrophobicContact CD1-CG1 4.05Å; Y133-I146 HydrophobicContact CE1-CD1 4.15Å; Y133-I146 HydrophobicContact CE1-CG1 3.41Å; Y133-I146 VanDerWaalsContact CE1-CG1 3.41Å; Y133-E149 PolarHBondContact OH-OE2 3.45Å; Y133-H314 HydrophobicContact CD2-CB 4.17Å; Y133-H314 AromaticContact CD2-CD2 3.33Å; Y133-H314 WeakPolarHBondContact CD2-CD2 3.27Å; Y133-H314 AromaticContact CD2-CG 3.7Å; Y133-H314 AromaticContact CD2-NE2 3.82Å; Y133-H314 HydrophobicContact CE2-CB 3.88Å; Y133-H314 AromaticContact CE2-CD2 3.58Å; Y133-H314 AromaticContact CE2-CG 3.47Å; Y133-H314 VanDerWaalsContact CE2-CG 3.47Å; Y133-H314 AromaticContact CE2-ND1 3.79Å; Y133-H314 AromaticContact CE2-NE2 3.97Å |
| 134 | P | 97 | Very high | 95.5 | Very high | 46 Ų | 46 | 58 Ų | 58 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | trans | -61.5 | 127.9 | -175.6 | -23.2 | 32.7 | 0 | 0 | 0 | 113.1 | K130 K132 A136 L137 | K130-P134 WeakPolarHBondContact O-CA 3.39Å; K132-P134 WeakPolarHBondContact O-CD 3.42Å; P134-A136 PolarHBondContact O-N 3.49Å; P134-A136 VanDerWaalsContact O-N 3.1Å; P134-L137 HydrophobicContact CB-CD1 4.27Å; P134-L137 HydrophobicContact CB-CG 4.21Å; P134-L137 HydrophobicContact CG-CD1 4.14Å; P134-L137 WeakPolarHBondContact O-CB 3.47Å; P134-L137 PolarHBondContact O-N 3.45Å; P134-L137 VanDerWaalsContact O-N 3.07Å | ||
| 135 | T | 96.2 | Very high | 95.8 | Very high | 45 Ų | 45 | 59.2 Ų | 59.2 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.6 | -176.3 | 59 | 0 | 0 | 0 | 0 | 114 | P40 L42 K130 Y133 L137 | P40-T135 HydrophobicContact CB-CG2 3.96Å; P40-T135 HydrophobicContact CG-CG2 3.72Å; L42-T135 HydrophobicContact CD2-CG2 3.94Å; K130-T135 HydrophobicContact CG-CG2 4.38Å; Y133-T135 PolarHBondContact O-N 3.11Å; T135-L137 VanDerWaalsContact C-N 3.3Å |
| 136 | A | 94.9 | Very high | 96.1 | Very high | 78 Ų | 78 | 52.3 Ų | 52.3 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -19.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P134 | P134-A136 PolarHBondContact O-N 3.49Å; P134-A136 VanDerWaalsContact O-N 3.1Å |
| 137 | L | 95.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 29% | 0.293 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -76.4 | 150.1 | -179.7 | -64.9 | 178.6 | 0 | 0 | 0 | 111.5 | P134 T135 T141 L142 I145 | P134-L137 HydrophobicContact CB-CD1 4.27Å; P134-L137 HydrophobicContact CB-CG 4.21Å; P134-L137 HydrophobicContact CG-CD1 4.14Å; P134-L137 WeakPolarHBondContact O-CB 3.47Å; P134-L137 PolarHBondContact O-N 3.45Å; P134-L137 VanDerWaalsContact O-N 3.07Å; T135-L137 VanDerWaalsContact C-N 3.3Å; L137-T141 HydrophobicContact CD1-CG2 4.12Å; L137-L142 HydrophobicContact CB-CD2 4.01Å; L137-L142 HydrophobicContact CB-CG 4.2Å; L137-L142 HydrophobicContact CD1-CD2 4.2Å; L137-I145 HydrophobicContact CD1-CD1 3.84Å |
| 138 | P | 95.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -60.1 | 150.2 | 170 | -20 | 32.4 | 0 | 0 | 0 | 112 | S140 T141 L142 | P138-S140 VanDerWaalsContact C-N 3.26Å; P138-S140 PolarHBondContact O-N 3.5Å; P138-T141 WeakPolarHBondContact O-CB 3.49Å; P138-T141 PolarHBondContact O-N 3.4Å; P138-L142 PolarHBondContact O-N 2.89Å; P138-L142 VanDerWaalsContact O-N 3.08Å |
| 139 | L | 95.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.4 | -39.1 | 177.9 | -65.6 | 167 | 0 | 0 | 0 | 112.9 | L42 L50 V53 T141 L142 T143 L318 F321 V322 | L42-L139 HydrophobicContact CB-CD2 3.81Å; L42-L139 HydrophobicContact CD1-CD2 3.83Å; L42-L139 HydrophobicContact CG-CD2 4.46Å; L50-L139 HydrophobicContact CD1-CD1 3.69Å; V53-L139 HydrophobicContact CG1-CB 4.13Å; L139-T141 PolarHBondContact O-N 2.95Å; L139-L142 PolarHBondContact O-N 3.48Å; L139-T143 PolarHBondContact O-N 2.98Å; L139-T143 PolarHBondContact O-OG1 2.93Å; L139-L318 HydrophobicContact CD2-CD2 3.88Å; L139-F321 HydrophobicContact CD1-CD1 4.33Å; L139-F321 HydrophobicContact CD1-CE1 4.14Å; L139-F321 HydrophobicContact CD2-CD1 4.04Å; L139-F321 HydrophobicContact CD2-CE1 4.2Å; L139-V322 HydrophobicContact CD1-CG2 3.97Å |
| 140 | S | 94.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 51.1 Ų | 51.1 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 176.1 | 51.2 | 0 | 0 | 0 | 0 | 112 | P138 L142 T143 D144 | P138-S140 VanDerWaalsContact C-N 3.26Å; P138-S140 PolarHBondContact O-N 3.5Å; S140-L142 VanDerWaalsContact C-N 3.34Å; S140-L142 PolarHBondContact O-N 2.92Å; S140-T143 WeakPolarHBondContact O-CB 3.17Å; S140-T143 PolarHBondContact O-N 3.02Å; S140-D144 PolarHBondContact O-N 3.49Å |
| 141 | T | 96.4 | Very high | 96.6 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 31% | 0.307 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 177.5 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | L137 P138 L139 D144 I145 | L137-T141 HydrophobicContact CD1-CG2 4.12Å; P138-T141 WeakPolarHBondContact O-CB 3.49Å; P138-T141 PolarHBondContact O-N 3.4Å; L139-T141 PolarHBondContact O-N 2.95Å; T141-D144 PolarHBondContact O-N 3.3Å; T141-I145 HydrophobicContact CG2-CD1 4.37Å; T141-I145 VanDerWaalsContact O-CG1 3.27Å; T141-I145 WeakPolarHBondContact O-CG1 3.31Å; T141-I145 PolarHBondContact O-N 3.34Å |
| 142 | L | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 174.3 | -65.5 | 177.4 | 0 | 0 | 0 | 111.6 | L42 W128 L137 P138 L139 S140 D144 I145 I146 L318 | L42-L142 HydrophobicContact CD2-CD1 4.15Å; W128-L142 HydrophobicContact CZ2-CD1 4.19Å; L137-L142 HydrophobicContact CB-CD2 4.01Å; L137-L142 HydrophobicContact CB-CG 4.2Å; L137-L142 HydrophobicContact CD1-CD2 4.2Å; P138-L142 PolarHBondContact O-N 2.89Å; P138-L142 VanDerWaalsContact O-N 3.08Å; L139-L142 PolarHBondContact O-N 3.48Å; S140-L142 VanDerWaalsContact C-N 3.34Å; S140-L142 PolarHBondContact O-N 2.92Å; L142-D144 VanDerWaalsContact C-N 3.34Å; L142-I145 PolarHBondContact O-N 2.96Å; L142-I146 PolarHBondContact O-N 3.42Å; L142-L318 HydrophobicContact CB-CD1 4.2Å; L142-L318 HydrophobicContact CD1-CD2 4.2Å |
| 143 | T | 96.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.5 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | L57 L60 L139 S140 I145 I146 N147 | L57-T143 HydrophobicContact CD2-CG2 3.97Å; L57-T143 WeakPolarHBondContact CD2-OG1 3.47Å; L57-T143 HydrophobicContact CG-CG2 4.47Å; L60-T143 HydrophobicContact CD2-CG2 3.89Å; L139-T143 PolarHBondContact O-N 2.98Å; L139-T143 PolarHBondContact O-OG1 2.93Å; S140-T143 WeakPolarHBondContact O-CB 3.17Å; S140-T143 PolarHBondContact O-N 3.02Å; T143-I145 PolarHBondContact O-N 2.92Å; T143-I146 PolarHBondContact O-N 3.07Å; T143-N147 WeakPolarHBondContact O-CB 3.26Å; T143-N147 PolarHBondContact O-N 3.11Å |
| 144 | D | 97.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 47 Ų | 47 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 179 | -67.5 | -31.1 | 0 | 0 | 0 | 112.5 | S140 T141 L142 N147 K148 | S140-D144 PolarHBondContact O-N 3.49Å; T141-D144 PolarHBondContact O-N 3.3Å; L142-D144 VanDerWaalsContact C-N 3.34Å; D144-N147 PolarHBondContact O-N 2.87Å; D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 PolarHBondContact O-N 2.98Å |
| 145 | I | 97.7 | Very high | 96.9 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 29% | 0.292 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 175.9 | -68.6 | 163.5 | 0 | 0 | 0 | 110.3 | Y133 L137 T141 L142 T143 K148 E149 | Y133-I145 HydrophobicContact CD1-CG2 4.14Å; Y133-I145 HydrophobicContact CE1-CG2 3.98Å; L137-I145 HydrophobicContact CD1-CD1 3.84Å; T141-I145 HydrophobicContact CG2-CD1 4.37Å; T141-I145 VanDerWaalsContact O-CG1 3.27Å; T141-I145 WeakPolarHBondContact O-CG1 3.31Å; T141-I145 PolarHBondContact O-N 3.34Å; L142-I145 PolarHBondContact O-N 2.96Å; T143-I145 PolarHBondContact O-N 2.92Å; I145-K148 PolarHBondContact O-N 2.79Å; I145-E149 PolarHBondContact O-N 3.06Å; I145-E149 VanDerWaalsContact O-N 3.14Å |
| 146 | I | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 177.5 | -64 | 171.9 | 0 | 0 | 0 | 110.3 | L60 Y133 L142 T143 K148 E149 V150 A311 H314 L315 L318 | L60-I146 HydrophobicContact CD2-CB 4.33Å; L60-I146 HydrophobicContact CD2-CG2 4.08Å; Y133-I146 HydrophobicContact CD1-CD1 4.49Å; Y133-I146 HydrophobicContact CD1-CG1 4.05Å; Y133-I146 HydrophobicContact CE1-CD1 4.15Å; Y133-I146 HydrophobicContact CE1-CG1 3.41Å; Y133-I146 VanDerWaalsContact CE1-CG1 3.41Å; L142-I146 PolarHBondContact O-N 3.42Å; T143-I146 PolarHBondContact O-N 3.07Å; I146-K148 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 3.07Å; I146-E149 WeakPolarHBondContact O-CB 3.45Å; I146-E149 PolarHBondContact O-N 2.93Å; I146-V150 HydrophobicContact CG2-CG2 4.13Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.43Å; I146-V150 PolarHBondContact O-N 3.15Å; I146-A311 HydrophobicContact CG2-CB 4.34Å; I146-H314 HydrophobicContact CD1-CB 4.36Å; I146-L315 HydrophobicContact CD1-CB 4.32Å; I146-L315 HydrophobicContact CD1-CD1 4.19Å; I146-L315 HydrophobicContact CG2-CD1 4.24Å; I146-L318 HydrophobicContact CD1-CD1 3.72Å |
| 147 | N | 98 | Very high | 97.1 | Very high | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 179.8 | -174.3 | 37.9 | 0 | 0 | 0 | 112.2 | L60 T143 D144 E149 V150 S151 | L60-N147 HydrophobicContact CD1-CB 4.11Å; L60-N147 WeakPolarHBondContact CD1-OD1 3.43Å; L60-N147 HydrophobicContact CD2-CB 3.86Å; T143-N147 WeakPolarHBondContact O-CB 3.26Å; T143-N147 PolarHBondContact O-N 3.11Å; D144-N147 PolarHBondContact O-N 2.87Å; N147-E149 VanDerWaalsContact C-N 3.34Å; N147-E149 PolarHBondContact O-N 2.88Å; N147-V150 PolarHBondContact O-N 3.42Å; N147-S151 VanDerWaalsContact O-CB 3.25Å; N147-S151 WeakPolarHBondContact O-CB 3.37Å; N147-S151 PolarHBondContact O-N 3.33Å; N147-S151 PolarHBondContact O-OG 3.33Å |
| 148 | K | 97.9 | Very high | 97.2 | Very high | 156 Ų | 156 | 52 Ų | 52 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 177.2 | -175.8 | 179.2 | 178.9 | -179 | 0 | 111.4 | D144 I145 I146 Q152 | D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 PolarHBondContact O-N 2.98Å; I145-K148 PolarHBondContact O-N 2.79Å; I146-K148 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 3.07Å; K148-Q152 WeakPolarHBondContact O-CB 3.3Å; K148-Q152 PolarHBondContact O-N 3.22Å |
| 149 | E | 96.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 176.8 | 176.4 | 175.4 | -163.2 | 0 | 0 | 111.8 | K132 Y133 I145 I146 N147 S151 Q152 V153 Q307 | K132-E149 WeakPolarHBondContact CE-OE2 3.41Å; K132-E149 IonicContact NZ-OE1 3.86Å; K132-E149 PolarHBondContact NZ-OE1 3.42Å; K132-E149 IonicContact NZ-OE2 3.78Å; K132-E149 PolarHBondContact NZ-OE2 3.18Å; Y133-E149 PolarHBondContact OH-OE2 3.45Å; I145-E149 PolarHBondContact O-N 3.06Å; I145-E149 VanDerWaalsContact O-N 3.14Å; I146-E149 WeakPolarHBondContact O-CB 3.45Å; I146-E149 PolarHBondContact O-N 2.93Å; N147-E149 VanDerWaalsContact C-N 3.34Å; N147-E149 PolarHBondContact O-N 2.88Å; E149-S151 PolarHBondContact O-N 2.88Å; E149-Q152 PolarHBondContact O-N 3Å; E149-V153 WeakPolarHBondContact O-CG2 3.48Å; E149-V153 PolarHBondContact O-N 2.96Å; E149-V153 VanDerWaalsContact O-N 3.07Å; E149-Q307 VanDerWaalsContact OE1-CD 3.29Å; E149-Q307 WeakPolarHBondContact OE1-CG 3.41Å; E149-Q307 PolarHBondContact OE1-NE2 3.29Å |
| 150 | V | 97.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 179.4 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L60 T64 L67 I146 N147 Q152 V153 E154 | L60-V150 HydrophobicContact CD1-CB 4.49Å; L60-V150 HydrophobicContact CD1-CG1 4.48Å; T64-V150 HydrophobicContact CG2-CG2 3.94Å; L67-V150 HydrophobicContact CD2-CG1 3.79Å; L67-V150 VanDerWaalsContact CD2-O 3.3Å; L67-V150 WeakPolarHBondContact CD2-O 3.41Å; I146-V150 HydrophobicContact CG2-CG2 4.13Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.43Å; I146-V150 PolarHBondContact O-N 3.15Å; N147-V150 PolarHBondContact O-N 3.42Å; V150-Q152 PolarHBondContact O-N 3.43Å; V150-V153 PolarHBondContact O-N 3.41Å; V150-E154 PolarHBondContact O-N 2.94Å |
| 151 | S | 97.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.9 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | N147 E149 E154 T155 | N147-S151 VanDerWaalsContact O-CB 3.25Å; N147-S151 WeakPolarHBondContact O-CB 3.37Å; N147-S151 PolarHBondContact O-N 3.33Å; N147-S151 PolarHBondContact O-OG 3.33Å; E149-S151 PolarHBondContact O-N 2.88Å; S151-E154 PolarHBondContact O-N 3.46Å; S151-T155 PolarHBondContact O-N 2.9Å; S151-T155 PolarHBondContact O-OG1 2.86Å |
| 152 | Q | 97.6 | Very high | 97.4 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 175.1 | -179.8 | -179.8 | -11.1 | 0 | 0 | 110.5 | K148 E149 V150 E154 T155 E156 | K148-Q152 WeakPolarHBondContact O-CB 3.3Å; K148-Q152 PolarHBondContact O-N 3.22Å; E149-Q152 PolarHBondContact O-N 3Å; V150-Q152 PolarHBondContact O-N 3.43Å; Q152-E154 VanDerWaalsContact C-N 3.32Å; Q152-E154 PolarHBondContact O-N 3.07Å; Q152-T155 PolarHBondContact O-N 3.18Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E156 PolarHBondContact NE2-OE1 2.86Å; Q152-E156 PolarHBondContact O-N 2.81Å |
| 153 | V | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 179 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L67 E149 V150 L157 W300 N304 V308 | L67-V153 HydrophobicContact CD2-CB 4.19Å; L67-V153 HydrophobicContact CD2-CG1 4.19Å; E149-V153 WeakPolarHBondContact O-CG2 3.48Å; E149-V153 PolarHBondContact O-N 2.96Å; E149-V153 VanDerWaalsContact O-N 3.07Å; V150-V153 PolarHBondContact O-N 3.41Å; V153-L157 VanDerWaalsContact O-CB 3.22Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 PolarHBondContact O-N 2.9Å; V153-W300 HydrophobicContact CG1-CH2 3.99Å; V153-W300 HydrophobicContact CG1-CZ2 4.42Å; V153-N304 HydrophobicContact CG1-CB 3.88Å; V153-N304 WeakPolarHBondContact CG2-OD1 3.49Å; V153-V308 HydrophobicContact CB-CG2 3.86Å; V153-V308 HydrophobicContact CG1-CG2 3.62Å; V153-V308 HydrophobicContact CG2-CG2 3.91Å |
| 154 | E | 97.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.4 | -176 | 178.2 | -175.2 | 0 | 0 | 112.2 | L67 V150 S151 Q152 L157 R158 | L67-E154 HydrophobicContact CD1-CB 3.91Å; L67-E154 HydrophobicContact CD1-CG 4.17Å; L67-E154 HydrophobicContact CD2-CB 4.11Å; V150-E154 PolarHBondContact O-N 2.94Å; S151-E154 PolarHBondContact O-N 3.46Å; Q152-E154 VanDerWaalsContact C-N 3.32Å; Q152-E154 PolarHBondContact O-N 3.07Å; E154-L157 PolarHBondContact O-N 3.49Å; E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3.35Å; E154-R158 IonicContact OE1-NH2 2.63Å; E154-R158 PolarHBondContact OE1-NH2 3.38Å |
| 155 | T | 98 | Very high | 97 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | -178.7 | -57.1 | 0 | 0 | 0 | 0 | 111 | S151 Q152 R158 S159 | S151-T155 PolarHBondContact O-N 2.9Å; S151-T155 PolarHBondContact O-OG1 2.86Å; Q152-T155 PolarHBondContact O-N 3.18Å; T155-R158 PolarHBondContact O-N 3.24Å; T155-S159 PolarHBondContact O-N 2.97Å; T155-S159 VanDerWaalsContact O-N 3.07Å |
| 156 | E | 97.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 61.4 Ų | 61.4 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 177 | -74.1 | -173.6 | -146.5 | 0 | 0 | 112.4 | Q152 R158 S159 R160 W300 | Q152-E156 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E156 PolarHBondContact NE2-OE1 2.86Å; Q152-E156 PolarHBondContact O-N 2.81Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 3.42Å; E156-S159 PolarHBondContact O-N 3.46Å; E156-R160 WeakPolarHBondContact O-CB 3.46Å; E156-R160 VanDerWaalsContact O-CG 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.5Å; E156-W300 HydrophobicContact CB-CH2 3.96Å; E156-W300 HydrophobicContact CB-CZ2 3.38Å; E156-W300 HydrophobicContact CG-CZ2 4.41Å; E156-W300 WeakPolarHBondContact OE2-CZ2 3.33Å; E156-W300 PolarHBondContact OE2-NE1 3.4Å |
| 157 | L | 97.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 175.9 | 174.1 | 64.3 | 0 | 0 | 0 | 110.4 | L67 K70 C74 V153 E154 A161 W300 L301 | L67-L157 HydrophobicContact CD1-CD2 3.75Å; K70-L157 HydrophobicContact CB-CD2 4.33Å; C74-L157 HydrophobicContact CB-CD1 4.36Å; V153-L157 VanDerWaalsContact O-CB 3.22Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 PolarHBondContact O-N 2.9Å; E154-L157 PolarHBondContact O-N 3.49Å; L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.05Å; L157-W300 HydrophobicContact CB-CH2 3.81Å; L157-W300 HydrophobicContact CB-CZ3 3.99Å; L157-W300 HydrophobicContact CD1-CZ3 3.95Å; L157-L301 HydrophobicContact CD1-CD2 3.51Å |
| 158 | R | 96.9 | Very high | 96.3 | Very high | 159 Ų | 159 | 61.7 Ų | 61.7 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.1 | -50.2 | -179.9 | -169.8 | -179.7 | -58.8 | 177.4 | 3.9 | 111.1 | E154 T155 E156 A161 T162 | E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3.35Å; E154-R158 IonicContact OE1-NH2 2.63Å; E154-R158 PolarHBondContact OE1-NH2 3.38Å; T155-R158 PolarHBondContact O-N 3.24Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 3.42Å; R158-A161 PolarHBondContact O-N 2.97Å; R158-T162 PolarHBondContact O-N 3.41Å; R158-T162 PolarHBondContact O-OG1 3.35Å; R158-T162 VanDerWaalsContact O-OG1 3.07Å |
| 159 | S | 97 | Very high | 96.1 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 58% | 0.58 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60 | -49.4 | -180 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | T155 E156 T162 A163 | T155-S159 PolarHBondContact O-N 2.97Å; T155-S159 VanDerWaalsContact O-N 3.07Å; E156-S159 PolarHBondContact O-N 3.46Å; S159-T162 PolarHBondContact O-N 2.82Å; S159-A163 PolarHBondContact O-N 2.9Å |
| 160 | R | 96.4 | Very high | 95.8 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | -179 | -69.6 | 174.7 | 179.3 | -96.4 | 1.5 | 112.3 | E156 A163 Y164 F297 | E156-R160 WeakPolarHBondContact O-CB 3.46Å; E156-R160 VanDerWaalsContact O-CG 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.5Å; R160-A163 PolarHBondContact O-N 3.05Å; R160-Y164 WeakPolarHBondContact O-CB 3.48Å; R160-Y164 PolarHBondContact O-N 3.04Å; R160-F297 HydrophobicContact CB-CD2 3.8Å; R160-F297 HydrophobicContact CB-CE2 3.51Å; R160-F297 HydrophobicContact CB-CZ 4.27Å |
| 161 | A | 96.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L157 R158 A163 Y164 N165 F297 | L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.05Å; R158-A161 PolarHBondContact O-N 2.97Å; A161-A163 PolarHBondContact O-N 3Å; A161-Y164 PolarHBondContact O-N 3.18Å; A161-N165 VanDerWaalsContact O-CB 3.27Å; A161-N165 WeakPolarHBondContact O-CB 3.33Å; A161-N165 VanDerWaalsContact O-CG 3.24Å; A161-N165 PolarHBondContact O-N 3.38Å; A161-N165 PolarHBondContact O-ND2 3.39Å; A161-F297 HydrophobicContact CB-CZ 4.07Å |
| 162 | T | 96.4 | Very high | 95.1 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | R158 S159 N165 S166 | R158-T162 PolarHBondContact O-N 3.41Å; R158-T162 PolarHBondContact O-OG1 3.35Å; R158-T162 VanDerWaalsContact O-OG1 3.07Å; S159-T162 PolarHBondContact O-N 2.82Å; T162-N165 PolarHBondContact O-N 3.4Å; T162-S166 WeakPolarHBondContact O-CB 3.33Å; T162-S166 PolarHBondContact O-N 2.98Å |
| 163 | A | 94.5 | Very high | 94.6 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S159 R160 A161 S166 L167 | S159-A163 PolarHBondContact O-N 2.9Å; R160-A163 PolarHBondContact O-N 3.05Å; A161-A163 PolarHBondContact O-N 3Å; A163-S166 PolarHBondContact O-N 3.27Å; A163-L167 PolarHBondContact O-N 3.48Å; A163-L167 VanDerWaalsContact O-N 3.11Å |
| 164 | Y | 95.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 8% | 0.082 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 178.5 | -177.9 | -99.2 | 0 | 0 | 0 | 112.1 | V78 R160 A161 L167 K168 Q293 F297 | V78-Y164 HydrophobicContact CG1-CE1 4.15Å; V78-Y164 HydrophobicContact CG2-CD1 4.19Å; V78-Y164 HydrophobicContact CG2-CE1 3.96Å; R160-Y164 WeakPolarHBondContact O-CB 3.48Å; R160-Y164 PolarHBondContact O-N 3.04Å; A161-Y164 PolarHBondContact O-N 3.18Å; Y164-L167 PolarHBondContact O-N 2.76Å; Y164-K168 WeakPolarHBondContact O-CB 3.22Å; Y164-K168 PolarHBondContact O-N 2.98Å; Y164-Q293 HydrophobicContact CD2-CB 4.33Å; Y164-F297 HydrophobicContact CD1-CD1 4.17Å; Y164-F297 HydrophobicContact CD1-CE1 4.28Å; Y164-F297 HydrophobicContact CD2-CD1 4.2Å; Y164-F297 AromaticContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CE1 4.2Å |
| 165 | N | 93.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 61.3 Ų | 61.3 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 179.9 | -72.3 | -18.9 | 0 | 0 | 0 | 112.3 | A161 T162 K168 A169 | A161-N165 VanDerWaalsContact O-CB 3.27Å; A161-N165 WeakPolarHBondContact O-CB 3.33Å; A161-N165 VanDerWaalsContact O-CG 3.24Å; A161-N165 PolarHBondContact O-N 3.38Å; A161-N165 PolarHBondContact O-ND2 3.39Å; T162-N165 PolarHBondContact O-N 3.4Å; N165-K168 PolarHBondContact O-N 2.68Å; N165-A169 WeakPolarHBondContact O-CB 3.36Å; N165-A169 PolarHBondContact O-N 3.04Å |
| 166 | S | 94.6 | Very high | 92.2 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | T162 A163 K168 A169 S170 | T162-S166 WeakPolarHBondContact O-CB 3.33Å; T162-S166 PolarHBondContact O-N 2.98Å; A163-S166 PolarHBondContact O-N 3.27Å; S166-K168 VanDerWaalsContact C-N 3.34Å; S166-K168 PolarHBondContact O-N 2.73Å; S166-A169 PolarHBondContact O-N 3.3Å; S166-S170 PolarHBondContact O-N 3.03Å; S166-S170 PolarHBondContact O-OG 2.89Å; S166-S170 VanDerWaalsContact O-OG 3.1Å |
| 167 | L | 93.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.089 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.9 | 179.8 | 60.6 | 0 | 0 | 0 | 111.6 | A163 Y164 L171 L286 H289 K290 Q293 | A163-L167 PolarHBondContact O-N 3.48Å; A163-L167 VanDerWaalsContact O-N 3.11Å; Y164-L167 PolarHBondContact O-N 2.76Å; L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 PolarHBondContact O-N 3.33Å; L167-L171 VanDerWaalsContact O-N 3.11Å; L167-L286 HydrophobicContact CD1-CB 4.49Å; L167-L286 HydrophobicContact CD1-CD2 3.6Å; L167-H289 HydrophobicContact CD2-CB 4.46Å; L167-K290 HydrophobicContact CD2-CB 4.06Å; L167-K290 HydrophobicContact CG-CB 4.26Å; L167-Q293 HydrophobicContact CD2-CB 4.24Å; L167-Q293 HydrophobicContact CD2-CG 4.02Å |
| 168 | K | 92.1 | Very high | 89.6 | Confident | 53 Ų | 53 | 65 Ų | 65 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 175 | -178.8 | 179.6 | 171.4 | -178.9 | 0 | 111.3 | Y164 N165 S166 L171 E172 | Y164-K168 WeakPolarHBondContact O-CB 3.22Å; Y164-K168 PolarHBondContact O-N 2.98Å; N165-K168 PolarHBondContact O-N 2.68Å; S166-K168 VanDerWaalsContact C-N 3.34Å; S166-K168 PolarHBondContact O-N 2.73Å; K168-L171 PolarHBondContact O-N 3.45Å; K168-E172 WeakPolarHBondContact CE-OE1 3.45Å; K168-E172 HydrophobicContact CG-CG 4.5Å; K168-E172 WeakPolarHBondContact CG-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 2.65Å; K168-E172 WeakPolarHBondContact O-CG 3.25Å; K168-E172 PolarHBondContact O-N 3.26Å |
| 169 | A | 92.4 | Very high | 88.2 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N165 S166 L171 E172 S173 | N165-A169 WeakPolarHBondContact O-CB 3.36Å; N165-A169 PolarHBondContact O-N 3.04Å; S166-A169 PolarHBondContact O-N 3.3Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 2.86Å; A169-E172 PolarHBondContact O-N 2.95Å; A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 2.8Å |
| 170 | S | 91.3 | Very high | 87 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 112 | S166 L174 | S166-S170 PolarHBondContact O-N 3.03Å; S166-S170 PolarHBondContact O-OG 2.89Å; S166-S170 VanDerWaalsContact O-OG 3.1Å; S170-L174 WeakPolarHBondContact O-CG 3.15Å; S170-L174 PolarHBondContact O-N 2.65Å |
| 171 | L | 90.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 178.2 | 177.5 | 142.2 | 0 | 0 | 0 | 111.9 | L167 K168 A169 S173 L174 E175 L286 S287 K290 | L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 PolarHBondContact O-N 3.33Å; L167-L171 VanDerWaalsContact O-N 3.11Å; K168-L171 PolarHBondContact O-N 3.45Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 2.86Å; L171-S173 VanDerWaalsContact C-N 3.29Å; L171-S173 PolarHBondContact O-N 2.96Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-L174 VanDerWaalsContact O-N 3.08Å; L171-E175 HydrophobicContact CD2-CG 4.23Å; L171-E175 VanDerWaalsContact CD2-OE1 3.3Å; L171-E175 WeakPolarHBondContact CD2-OE1 2.82Å; L171-E175 VanDerWaalsContact CD2-OE2 3.31Å; L171-E175 WeakPolarHBondContact CD2-OE2 3.39Å; L171-E175 HydrophobicContact CG-CG 4.43Å; L171-E175 WeakPolarHBondContact O-CG 3.26Å; L171-E175 PolarHBondContact O-N 3.3Å; L171-L286 HydrophobicContact CD1-CB 4.12Å; L171-S287 VanDerWaalsContact CD1-CA 3.5Å; L171-K290 HydrophobicContact CD1-CD 4.08Å; L171-K290 HydrophobicContact CD2-CD 4.15Å |
| 172 | E | 89 | Confident | 85.5 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 176.4 | -76 | 173.1 | -177.3 | 0 | 0 | 111.7 | K168 A169 L174 E175 L176 | K168-E172 WeakPolarHBondContact CE-OE1 3.45Å; K168-E172 HydrophobicContact CG-CG 4.5Å; K168-E172 WeakPolarHBondContact CG-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 2.65Å; K168-E172 WeakPolarHBondContact O-CG 3.25Å; K168-E172 PolarHBondContact O-N 3.26Å; A169-E172 PolarHBondContact O-N 2.95Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 2.97Å; E172-E175 PolarHBondContact O-N 2.97Å; E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.37Å |
| 173 | S | 86.9 | Confident | 84.6 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -33.4 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | A169 L171 N177 | A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 2.8Å; L171-S173 VanDerWaalsContact C-N 3.29Å; L171-S173 PolarHBondContact O-N 2.96Å; S173-N177 PolarHBondContact O-ND2 3.43Å; S173-N177 VanDerWaalsContact O-ND2 3.12Å |
| 174 | L | 83.1 | Confident | 83.7 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -79.4 | -38.2 | 177.2 | -70.4 | 171.6 | 0 | 0 | 0 | 111.7 | S170 L171 E172 N177 E282 I283 L286 | S170-L174 WeakPolarHBondContact O-CG 3.15Å; S170-L174 PolarHBondContact O-N 2.65Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-L174 VanDerWaalsContact O-N 3.08Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 2.97Å; L174-N177 WeakPolarHBondContact O-CB 3.26Å; L174-N177 PolarHBondContact O-N 2.95Å; L174-E282 HydrophobicContact CD1-CG 4.08Å; L174-I283 HydrophobicContact CB-CD1 4.04Å; L174-I283 HydrophobicContact CB-CG1 3.7Å; L174-I283 HydrophobicContact CD1-CG1 4.18Å; L174-L286 HydrophobicContact CD1-CD1 3.52Å |
| 175 | E | 83.4 | Confident | 83.1 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 177 | -73.2 | 178.3 | 159.6 | 0 | 0 | 112.3 | L171 E172 N177 L178 | L171-E175 HydrophobicContact CD2-CG 4.23Å; L171-E175 VanDerWaalsContact CD2-OE1 3.3Å; L171-E175 WeakPolarHBondContact CD2-OE1 2.82Å; L171-E175 VanDerWaalsContact CD2-OE2 3.31Å; L171-E175 WeakPolarHBondContact CD2-OE2 3.39Å; L171-E175 HydrophobicContact CG-CG 4.43Å; L171-E175 WeakPolarHBondContact O-CG 3.26Å; L171-E175 PolarHBondContact O-N 3.3Å; E172-E175 PolarHBondContact O-N 2.97Å; E175-N177 PolarHBondContact O-N 3.32Å; E175-L178 WeakPolarHBondContact O-CB 3.27Å; E175-L178 PolarHBondContact O-N 3.21Å |
| 176 | L | 78.5 | Confident | 82.7 | Confident | 128 Ų | 128 | 59.2 Ų | 59.2 | 67% | 0.67 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.5 | -29.8 | 174.4 | -77.4 | 171.1 | 0 | 0 | 0 | 112.8 | E172 L178 N179 G180 | E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.37Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-N179 PolarHBondContact O-N 3.3Å; L176-G180 PolarHBondContact O-N 3.04Å; L176-G180 VanDerWaalsContact O-N 3.11Å |
| 177 | N | 70.6 | Confident | 82.1 | Confident | 72 Ų | 72 | 56 Ų | 56 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.8 | -25.3 | 175.6 | -65.2 | -38.5 | 0 | 0 | 0 | 112.3 | S173 L174 E175 T184 R185 S186 | S173-N177 PolarHBondContact O-ND2 3.43Å; S173-N177 VanDerWaalsContact O-ND2 3.12Å; L174-N177 WeakPolarHBondContact O-CB 3.26Å; L174-N177 PolarHBondContact O-N 2.95Å; E175-N177 PolarHBondContact O-N 3.32Å; N177-T184 CarbonylContact O-C 3.55Å; N177-R185 VanDerWaalsContact O-CA 3.32Å; N177-R185 WeakPolarHBondContact O-CA 3.3Å; N177-S186 PolarHBondContact O-N 3.36Å |
| 178 | L | 70.6 | Confident | 81.5 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 176 | -63.4 | 177.2 | 0 | 0 | 0 | 111.4 | E175 L176 R185 S186 I283 | E175-L178 WeakPolarHBondContact O-CB 3.27Å; E175-L178 PolarHBondContact O-N 3.21Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L178-R185 VanDerWaalsContact O-CG 3.25Å; L178-R185 WeakPolarHBondContact O-CG 3.22Å; L178-S186 PolarHBondContact O-N 2.9Å; L178-S186 VanDerWaalsContact O-N 3.13Å; L178-I283 HydrophobicContact CD1-CD1 3.8Å; L178-I283 HydrophobicContact CD2-CD1 4.06Å; L178-I283 HydrophobicContact CG-CD1 3.95Å |
| 179 | N | 67.6 | Low | 81 | Confident | 145 Ų | 145 | 60.2 Ų | 60.2 | 78% | 0.775 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 19.1 | -173.8 | -66.6 | 30.8 | 0 | 0 | 0 | 113.2 | L176 | L176-N179 PolarHBondContact O-N 3.3Š|
| 180 | G | 70.5 | Confident | 80.6 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | trans | -69.2 | -170.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L176 R185 | L176-G180 PolarHBondContact O-N 3.04Å; L176-G180 VanDerWaalsContact O-N 3.11Å; G180-R185 WeakPolarHBondContact O-CB 3.39Å | ||
| 181 | N | 78.6 | Confident | 80.4 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | trans | -70.5 | 175.5 | 173.9 | 63.2 | 31.5 | 0 | 0 | 0 | 111.3 | Q183 T184 R185 | N181-Q183 PolarHBondContact O-N 3.47Å; N181-Q183 VanDerWaalsContact OD1-CB 3.27Å; N181-Q183 WeakPolarHBondContact OD1-CB 2.96Å; N181-Q183 PolarHBondContact OD1-N 3.14Å; N181-T184 PolarHBondContact N-OG1 3.49Å; N181-T184 PolarHBondContact O-N 3.41Å; N181-T184 PolarHBondContact OD1-N 3.24Å; N181-T184 PolarHBondContact OD1-OG1 3.42Å; N181-R185 WeakPolarHBondContact O-CB 3.15Å; N181-R185 PolarHBondContact O-N 3.46Å | ||
| 182 | L | 81.7 | Confident | 80.1 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -24.3 | 179.5 | -65.4 | 174.4 | 0 | 0 | 0 | 115.2 | V208 F237 D239 G242 I244 R269 | L182-V208 HydrophobicContact CB-CG1 3.74Å; L182-V208 HydrophobicContact CB-CG2 4.46Å; L182-V208 HydrophobicContact CD1-CG1 3.85Å; L182-V208 HydrophobicContact CG-CG1 4.46Å; L182-F237 HydrophobicContact CD2-CD1 3.54Å; L182-F237 HydrophobicContact CD2-CE1 3.64Å; L182-D239 WeakPolarHBondContact CD1-OD1 3.49Å; L182-D239 HydrophobicContact CD2-CB 4.31Å; L182-D239 WeakPolarHBondContact CD2-OD2 3.11Å; L182-D239 WeakPolarHBondContact CG-OD2 3.41Å; L182-G242 VanDerWaalsContact CD1-C 3.4Å; L182-I244 HydrophobicContact CB-CG1 4.49Å; L182-I244 HydrophobicContact CD2-CD1 4.25Å; L182-I244 HydrophobicContact CD2-CG1 4.09Å; L182-R269 PolarHBondContact O-NH1 2.87Å |
| 183 | Q | 77.8 | Confident | 79.8 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -35.1 | 179.6 | -56.8 | -63.6 | -20.4 | 0 | 0 | 112.9 | N181 V208 I267 R269 | N181-Q183 PolarHBondContact O-N 3.47Å; N181-Q183 VanDerWaalsContact OD1-CB 3.27Å; N181-Q183 WeakPolarHBondContact OD1-CB 2.96Å; N181-Q183 PolarHBondContact OD1-N 3.14Å; Q183-V208 VanDerWaalsContact NE2-CB 3.27Å; Q183-V208 VanDerWaalsContact NE2-CG1 3.34Å; Q183-I267 VanDerWaalsContact NE2-CD1 3.31Å; Q183-I267 VanDerWaalsContact OE1-CG2 3.25Å; Q183-R269 WeakPolarHBondContact O-CD 3.47Å; Q183-R269 PolarHBondContact O-NE 2.91Å |
| 184 | T | 76.9 | Confident | 79.6 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -25.5 | -171.1 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | N177 N181 R269 | N177-T184 CarbonylContact O-C 3.55Å; N181-T184 PolarHBondContact N-OG1 3.49Å; N181-T184 PolarHBondContact O-N 3.41Å; N181-T184 PolarHBondContact OD1-N 3.24Å; N181-T184 PolarHBondContact OD1-OG1 3.42Å; T184-R269 PolarHBondContact O-NH2 3.48Å |
| 185 | R | 82.6 | Confident | 79.6 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -49.2 | 136.6 | -179.6 | -169.9 | -159.5 | 162.5 | 128.8 | -4.9 | 112.3 | N177 L178 G180 N181 D189 R269 | N177-R185 VanDerWaalsContact O-CA 3.32Å; N177-R185 WeakPolarHBondContact O-CA 3.3Å; L178-R185 VanDerWaalsContact O-CG 3.25Å; L178-R185 WeakPolarHBondContact O-CG 3.22Å; G180-R185 WeakPolarHBondContact O-CB 3.39Å; N181-R185 WeakPolarHBondContact O-CB 3.15Å; N181-R185 PolarHBondContact O-N 3.46Å; R185-D189 IonicContact CZ-OD2 2.79Å; R185-D189 IonicContact NH2-OD2 3.06Å; R185-D189 PolarHBondContact NH2-OD2 3.44Å; R185-R269 PolarHBondContact O-NH1 3.36Å; R185-R269 PolarHBondContact O-NH2 2.73Å |
| 186 | S | 83.5 | Confident | 79.7 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | trans | -59.1 | 141.9 | 168.6 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | N177 L178 E276 | N177-S186 PolarHBondContact O-N 3.36Å; L178-S186 PolarHBondContact O-N 2.9Å; L178-S186 VanDerWaalsContact O-N 3.13Å; S186-E276 VanDerWaalsContact CB-OE1 3.22Å; S186-E276 WeakPolarHBondContact CB-OE1 3.38Å; S186-E276 PolarHBondContact OG-OE1 2.74Å | ||
| 187 | L | 84 | Confident | 80 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -112.4 | 8 | 178 | -56.1 | 178.1 | 0 | 0 | 0 | 112.4 | D189 V190 L191 L206 I244 Y271 | L187-D189 PolarHBondContact O-N 2.88Å; L187-V190 PolarHBondContact O-N 3.49Å; L187-L191 HydrophobicContact CB-CB 4.2Å; L187-L191 VanDerWaalsContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 PolarHBondContact O-N 3.24Å; L187-L206 HydrophobicContact CD1-CD1 3.46Å; L187-L206 VanDerWaalsContact CD1-CD1 3.46Å; L187-I244 HydrophobicContact CD1-CD1 3.92Å; L187-I244 HydrophobicContact CD2-CD1 3.48Å; L187-I244 VanDerWaalsContact CD2-CD1 3.48Å; L187-I244 HydrophobicContact CG-CD1 4.33Å; L187-Y271 HydrophobicContact CB-CE2 3.89Å; L187-Y271 HydrophobicContact CD1-CD2 4.14Å; L187-Y271 HydrophobicContact CD1-CE2 4.34Å; L187-Y271 HydrophobicContact CG-CE2 4.43Å | ||
| 188 | N | 80.7 | Confident | 80.6 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.4 | -177.3 | -79.3 | -2.6 | 0 | 0 | 0 | 113.5 | Y271 E276 Q280 | N188-Y271 PolarHBondContact OD1-OH 2.88Å; N188-E276 VanDerWaalsContact CG-CG 3.47Å; N188-E276 WeakPolarHBondContact ND2-CG 3.44Å; N188-E276 VanDerWaalsContact OD1-CG 3.27Å; N188-E276 WeakPolarHBondContact OD1-CG 3.27Å; N188-Q280 PolarHBondContact ND2-NE2 3.19Å; N188-Q280 PolarHBondContact ND2-OE1 3.32Å |
| 189 | D | 79.9 | Confident | 81.5 | Confident | 110 Ų | 110 | 68.3 Ų | 68.3 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -22.3 | 175.4 | 58.8 | -31.3 | 0 | 0 | 0 | 113.3 | R185 L187 | R185-D189 IonicContact CZ-OD2 2.79Å; R185-D189 IonicContact NH2-OD2 3.06Å; R185-D189 PolarHBondContact NH2-OD2 3.44Å; L187-D189 PolarHBondContact O-N 2.88Å |
| 190 | V | 84.8 | Confident | 82.6 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -31.5 | -172.7 | -161.2 | 0 | 0 | 0 | 0 | 113.4 | L187 I236 F237 | L187-V190 PolarHBondContact O-N 3.49Å; V190-I236 HydrophobicContact CB-CG2 4.27Å; V190-I236 HydrophobicContact CG1-CG2 3.76Å; V190-I236 WeakPolarHBondContact CG1-O 3.32Å; V190-F237 HydrophobicContact CG1-CB 4.13Å; V190-F237 HydrophobicContact CG1-CD2 4.23Å; V190-F237 HydrophobicContact CG2-CD2 3.85Å; V190-F237 HydrophobicContact CG2-CE2 4.5Å; V190-F237 HydrophobicContact CG2-CG 4.5Å |
| 191 | L | 86.6 | Confident | 83.6 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | trans | -100.1 | 124.2 | -173.2 | -167.5 | 74.6 | 0 | 0 | 0 | 111.2 | L187 D195 L196 L206 I236 Y271 F273 | L187-L191 HydrophobicContact CB-CB 4.2Å; L187-L191 VanDerWaalsContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 PolarHBondContact O-N 3.24Å; L191-D195 HydrophobicContact CD1-CB 3.86Å; L191-L196 HydrophobicContact CD1-CD2 4.36Å; L191-L196 HydrophobicContact CD2-CD1 3.91Å; L191-L196 HydrophobicContact CD2-CD2 4.19Å; L191-L196 HydrophobicContact CD2-CG 4.07Å; L191-L196 HydrophobicContact CG-CG 4.5Å; L191-L206 HydrophobicContact CD1-CD2 4.29Å; L191-L206 HydrophobicContact CD2-CD1 4.08Å; L191-I236 HydrophobicContact CB-CG2 4.43Å; L191-I236 HydrophobicContact CD1-CD1 4.16Å; L191-I236 HydrophobicContact CD1-CG1 4.02Å; L191-I236 HydrophobicContact CD1-CG2 3.84Å; L191-Y271 HydrophobicContact CD2-CD1 3.69Å; L191-Y271 HydrophobicContact CD2-CE1 3.3Å; L191-Y271 HydrophobicContact CD2-CE2 4.34Å; L191-Y271 HydrophobicContact CD2-CG 4.35Å; L191-F273 HydrophobicContact CD2-CZ 4.05Å; L191-F273 HydrophobicContact CG-CZ 4.17Å | ||
| 192 | R | 84.8 | Confident | 84.4 | Confident | 180 Ų | 180 | 70.9 Ų | 70.9 | 68% | 0.679 | 35% | 0.351 | S | S | * | . | trans | -97.4 | 156.3 | 175.9 | -61.1 | 178.1 | -178 | 158.5 | 1.3 | 110.7 | D194 D195 | R192-D194 PolarHBondContact O-N 3.06Å; R192-D195 PolarHBondContact N-OD2 3.08Å; R192-D195 VanDerWaalsContact O-CB 3.31Å; R192-D195 WeakPolarHBondContact O-CB 3.5Å; R192-D195 PolarHBondContact O-N 3.01Å | ||
| 193 | K | 83.3 | Confident | 85 | Confident | 151 Ų | 151 | 71.6 Ų | 71.6 | 66% | 0.657 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -57.2 | -34.8 | 176.4 | -69.6 | -172.2 | 177.9 | -175.7 | 0 | 112.2 | D195 L196 F273 | K193-D195 PolarHBondContact O-N 3.33Å; K193-L196 PolarHBondContact O-N 3.46Å; K193-F273 HydrophobicContact CB-CE2 4.38Å; K193-F273 HydrophobicContact CG-CD2 4.22Å; K193-F273 HydrophobicContact CG-CE1 4.4Å; K193-F273 HydrophobicContact CG-CE2 3.95Å; K193-F273 HydrophobicContact CG-CZ 4.07Å |
| 194 | D | 83.4 | Confident | 85.7 | Confident | 148 Ų | 148 | 69.3 Ų | 69.3 | 79% | 0.791 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -67.6 | -17.2 | 178 | -53.6 | -37 | 0 | 0 | 0 | 113.6 | R192 L196 | R192-D194 PolarHBondContact O-N 3.06Å; D194-L196 VanDerWaalsContact C-N 3.32Å |
| 195 | D | 82.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -81.7 | -14 | 179.3 | -60.1 | -36.8 | 0 | 0 | 0 | 112.9 | L191 R192 K193 R234 I236 | L191-D195 HydrophobicContact CD1-CB 3.86Å; R192-D195 PolarHBondContact N-OD2 3.08Å; R192-D195 VanDerWaalsContact O-CB 3.31Å; R192-D195 WeakPolarHBondContact O-CB 3.5Å; R192-D195 PolarHBondContact O-N 3.01Å; K193-D195 PolarHBondContact O-N 3.33Å; D195-R234 IonicContact OD1-CZ 2.8Å; D195-R234 IonicContact OD1-NH1 2.67Å; D195-R234 PolarHBondContact OD1-NH1 3.22Å; D195-R234 IonicContact OD1-NH2 3.88Å; D195-R234 PolarHBondContact OD1-NH2 2.87Å; D195-R234 IonicContact OD2-NH2 3.5Å; D195-R234 PolarHBondContact OD2-NH2 3.46Å; D195-I236 HydrophobicContact CB-CD1 4.48Å |
| 196 | L | 85.9 | Confident | 87.1 | Confident | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -110.8 | 112.9 | 177.5 | -61.3 | -173.3 | 0 | 0 | 0 | 110.4 | L191 K193 D194 V198 T204 L206 Y271 F273 | L191-L196 HydrophobicContact CD1-CD2 4.36Å; L191-L196 HydrophobicContact CD2-CD1 3.91Å; L191-L196 HydrophobicContact CD2-CD2 4.19Å; L191-L196 HydrophobicContact CD2-CG 4.07Å; L191-L196 HydrophobicContact CG-CG 4.5Å; K193-L196 PolarHBondContact O-N 3.46Å; D194-L196 VanDerWaalsContact C-N 3.32Å; L196-V198 PolarHBondContact O-N 2.89Å; L196-T204 HydrophobicContact CD2-CG2 3.7Å; L196-L206 HydrophobicContact CD2-CD2 4.2Å; L196-Y271 HydrophobicContact CD1-CD1 3.83Å; L196-Y271 HydrophobicContact CD1-CE1 4.02Å; L196-F273 HydrophobicContact CB-CE2 4.45Å; L196-F273 HydrophobicContact CD1-CD2 4.02Å; L196-F273 HydrophobicContact CD1-CE2 3.43Å; L196-F273 VanDerWaalsContact CD1-CE2 3.43Å; L196-F273 HydrophobicContact CD1-CZ 4.13Å; L196-F273 HydrophobicContact CG-CE2 4.06Å |
| 197 | V | 84.7 | Confident | 87.6 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | trans | -83.5 | 104.9 | 171.2 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | L202 T203 T204 T248 | V197-L202 HydrophobicContact CG1-CB 4.29Å; V197-L202 HydrophobicContact CG1-CD1 4.45Å; V197-T203 CarbonylContact O-C 3.39Å; V197-T203 VanDerWaalsContact O-C 3.32Å; V197-T203 WeakPolarHBondContact O-CA 3.36Å; V197-T204 PolarHBondContact N-OG1 2.9Å; V197-T204 PolarHBondContact O-N 3.36Å; V197-T204 VanDerWaalsContact O-N 3.08Å; V197-T204 PolarHBondContact O-OG1 2.85Å; V197-T248 HydrophobicContact CB-CG2 4.05Å; V197-T248 HydrophobicContact CG1-CG2 4.36Å | ||
| 198 | V | 83.4 | Confident | 88.1 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | trans | -116.9 | 109.7 | 171.2 | -175.5 | 0 | 0 | 0 | 0 | 108 | L196 | L196-V198 PolarHBondContact O-N 2.89Š| ||
| 199 | S | 89 | Confident | 88.8 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | trans | -126.2 | -174.1 | 175.6 | 78.1 | 0 | 0 | 0 | 0 | 110.4 | Y201 L202 K251 | S199-Y201 PolarHBondContact O-N 3.44Å; S199-Y201 PolarHBondContact OG-N 3.02Å; S199-L202 PolarHBondContact N-O 3.11Å; S199-L202 WeakPolarHBondContact OG-CB 3.4Å; S199-L202 PolarHBondContact OG-N 3.35Å; S199-K251 WeakPolarHBondContact O-CE 3.27Å; S199-K251 PolarHBondContact O-NZ 3.12Å | ||
| 200 | E | 90.5 | Very high | 89.5 | Confident | 143 Ų | 143 | 59 Ų | 59 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -55.5 | -42.6 | 174.7 | -171.3 | -179 | 163.7 | 0 | 0 | 111.3 | K251 | E200-K251 WeakPolarHBondContact O-CD 3.3Å; E200-K251 PolarHBondContact O-NZ 3.32Å; E200-K251 VanDerWaalsContact O-NZ 3.1Å |
| 201 | Y | 92.4 | Very high | 90 | Very high | 134 Ų | 134 | 62.9 Ų | 62.9 | 53% | 0.525 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -110.1 | -25.4 | -171.7 | -59.4 | -76.2 | 0 | 0 | 0 | 114.9 | S199 F250 K251 | S199-Y201 PolarHBondContact O-N 3.44Å; S199-Y201 PolarHBondContact OG-N 3.02Å; Y201-F250 CarbonylContact O-C 3.51Å; Y201-F250 VanDerWaalsContact O-CA 3.3Å; Y201-F250 WeakPolarHBondContact O-CA 3.36Å; Y201-K251 PolarHBondContact O-N 2.83Å |
| 202 | L | 94 | Very high | 90.3 | Very high | 42 Ų | 42 | 71.4 Ų | 71.4 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 150.7 | -177.5 | -61.1 | 176.1 | 0 | 0 | 0 | 111.5 | V197 S199 V229 T248 L249 F250 | V197-L202 HydrophobicContact CG1-CB 4.29Å; V197-L202 HydrophobicContact CG1-CD1 4.45Å; S199-L202 PolarHBondContact N-O 3.11Å; S199-L202 WeakPolarHBondContact OG-CB 3.4Å; S199-L202 PolarHBondContact OG-N 3.35Å; L202-V229 HydrophobicContact CD2-CG2 4.16Å; L202-T248 HydrophobicContact CB-CG2 4.33Å; L202-L249 WeakPolarHBondContact CA-O 3.37Å; L202-F250 HydrophobicContact CD2-CD1 4.19Å; L202-F250 HydrophobicContact CD2-CD2 3.57Å; L202-F250 HydrophobicContact CD2-CE1 4.27Å; L202-F250 HydrophobicContact CD2-CE2 3.68Å; L202-F250 HydrophobicContact CD2-CG 3.87Å; L202-F250 HydrophobicContact CD2-CZ 4.03Å |
| 203 | T | 93.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 17% | 0.166 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149 | 170.2 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | V197 T248 L249 K251 V254 | V197-T203 CarbonylContact O-C 3.39Å; V197-T203 VanDerWaalsContact O-C 3.32Å; V197-T203 WeakPolarHBondContact O-CA 3.36Å; T203-T248 WeakPolarHBondContact O-CA 3.39Å; T203-L249 HydrophobicContact CG2-CD2 4.41Å; T203-L249 PolarHBondContact N-O 3.02Å; T203-L249 PolarHBondContact O-N 3.02Å; T203-L249 VanDerWaalsContact O-O 3.11Å; T203-K251 HydrophobicContact CG2-CG 4.05Å; T203-V254 HydrophobicContact CG2-CG2 3.51Å |
| 204 | T | 94.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 8% | 0.08 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.9 | 169.4 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | L196 V197 T246 V247 T248 | L196-T204 HydrophobicContact CD2-CG2 3.7Å; V197-T204 PolarHBondContact N-OG1 2.9Å; V197-T204 PolarHBondContact O-N 3.36Å; V197-T204 VanDerWaalsContact O-N 3.08Å; V197-T204 PolarHBondContact O-OG1 2.85Å; T204-T246 HydrophobicContact CG2-CG2 3.88Å; T204-V247 CarbonylContact C-O 3.59Å; T204-V247 VanDerWaalsContact CA-O 3.28Å; T204-V247 WeakPolarHBondContact CA-O 3.43Å; T204-T248 PolarHBondContact OG1-OG1 3.37Å |
| 205 | L | 93.9 | Very high | 92 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 151.7 | 172.6 | -58.9 | 174.3 | 0 | 0 | 0 | 109.7 | T246 V247 L249 V254 F257 V268 | L205-T246 CarbonylContact O-C 3.52Å; L205-T246 WeakPolarHBondContact O-CA 3.42Å; L205-V247 HydrophobicContact CB-CG1 3.95Å; L205-V247 PolarHBondContact N-O 3.42Å; L205-V247 PolarHBondContact O-N 3.1Å; L205-L249 HydrophobicContact CB-CD2 4.44Å; L205-L249 HydrophobicContact CD1-CD1 4.29Å; L205-L249 HydrophobicContact CD1-CD2 3.58Å; L205-L249 HydrophobicContact CG-CD2 3.7Å; L205-V254 HydrophobicContact CD1-CG1 4.24Å; L205-V254 HydrophobicContact CD1-CG2 4.49Å; L205-V254 HydrophobicContact CD2-CG1 4.34Å; L205-F257 HydrophobicContact CD1-CD1 3.91Å; L205-F257 HydrophobicContact CD1-CE1 4.4Å; L205-V268 HydrophobicContact CB-CG1 4.06Å; L205-V268 HydrophobicContact CD1-CG1 4.07Å; L205-V268 HydrophobicContact CG-CG1 4.44Å |
| 206 | L | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.1 | 169.7 | -60 | -177 | 0 | 0 | 0 | 109.3 | L187 L191 L196 I244 F245 T246 V268 R269 Y271 | L187-L206 HydrophobicContact CD1-CD1 3.46Å; L187-L206 VanDerWaalsContact CD1-CD1 3.46Å; L191-L206 HydrophobicContact CD1-CD2 4.29Å; L191-L206 HydrophobicContact CD2-CD1 4.08Å; L196-L206 HydrophobicContact CD2-CD2 4.2Å; L206-I244 HydrophobicContact CB-CG2 4.08Å; L206-I244 HydrophobicContact CD2-CG2 4.31Å; L206-F245 CarbonylContact C-O 3.55Å; L206-F245 WeakPolarHBondContact CA-O 3.21Å; L206-T246 HydrophobicContact CD2-CG2 3.69Å; L206-V268 CarbonylContact O-C 3.32Å; L206-V268 WeakPolarHBondContact O-CA 3.48Å; L206-R269 HydrophobicContact CB-CB 4.32Å; L206-R269 PolarHBondContact O-N 3.33Å; L206-Y271 HydrophobicContact CD1-CD1 4.2Å; L206-Y271 HydrophobicContact CD1-CD2 4.05Å; L206-Y271 HydrophobicContact CD1-CG 3.65Å |
| 207 | V | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 123 | -177.8 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | V209 W217 I244 F245 V247 F257 F266 I267 V268 | V207-V209 HydrophobicContact CG1-CG2 4.06Å; V207-W217 HydrophobicContact CB-CH2 3.75Å; V207-W217 HydrophobicContact CB-CZ2 4.09Å; V207-W217 HydrophobicContact CB-CZ3 4.27Å; V207-W217 HydrophobicContact CG1-CE3 4.36Å; V207-W217 HydrophobicContact CG1-CH2 3.76Å; V207-W217 HydrophobicContact CG1-CZ2 4.41Å; V207-W217 HydrophobicContact CG1-CZ3 3.74Å; V207-W217 HydrophobicContact CG2-CH2 3.62Å; V207-W217 HydrophobicContact CG2-CZ2 4.18Å; V207-W217 HydrophobicContact CG2-CZ3 4.36Å; V207-I244 WeakPolarHBondContact O-CA 3.32Å; V207-F245 PolarHBondContact N-O 3.5Å; V207-F245 PolarHBondContact O-N 3.07Å; V207-V247 HydrophobicContact CG2-CG1 3.85Å; V207-F257 HydrophobicContact CG2-CE1 4.29Å; V207-F266 HydrophobicContact CG1-CB 3.78Å; V207-I267 CarbonylContact C-O 3.56Å; V207-I267 WeakPolarHBondContact CA-O 3.41Å; V207-V268 HydrophobicContact CG2-CG2 4.18Å |
| 208 | V | 94.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.9 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | L182 Q183 I244 I267 R269 | L182-V208 HydrophobicContact CB-CG1 3.74Å; L182-V208 HydrophobicContact CB-CG2 4.46Å; L182-V208 HydrophobicContact CD1-CG1 3.85Å; L182-V208 HydrophobicContact CG-CG1 4.46Å; Q183-V208 VanDerWaalsContact NE2-CB 3.27Å; Q183-V208 VanDerWaalsContact NE2-CG1 3.34Å; V208-I244 HydrophobicContact CG2-CG1 4.35Å; V208-I267 HydrophobicContact CB-CB 4.4Å; V208-I267 PolarHBondContact N-O 3.34Å; V208-I267 PolarHBondContact O-N 2.74Å; V208-R269 HydrophobicContact CG2-CB 4.34Å |
| 209 | V | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.2 | -177.2 | -173 | 0 | 0 | 0 | 0 | 108.4 | V207 K213 Y214 W217 G242 G243 F245 F266 | V207-V209 HydrophobicContact CG1-CG2 4.06Å; V209-K213 HydrophobicContact CG1-CB 4.02Å; V209-Y214 HydrophobicContact CB-CD1 4.21Å; V209-Y214 HydrophobicContact CB-CE1 4.29Å; V209-Y214 HydrophobicContact CG1-CD1 3.83Å; V209-Y214 HydrophobicContact CG1-CE1 4.35Å; V209-Y214 WeakPolarHBondContact O-CE1 3.31Å; V209-W217 HydrophobicContact CG1-CB 3.96Å; V209-W217 HydrophobicContact CG1-CG 4.45Å; V209-W217 HydrophobicContact CG2-CB 4.29Å; V209-W217 HydrophobicContact CG2-CD2 3.88Å; V209-W217 HydrophobicContact CG2-CE3 4.14Å; V209-W217 HydrophobicContact CG2-CG 3.94Å; V209-G242 CarbonylContact O-C 3.51Å; V209-G242 VanDerWaalsContact O-CA 3.28Å; V209-G242 WeakPolarHBondContact O-CA 3.39Å; V209-G243 PolarHBondContact N-O 2.88Å; V209-G243 PolarHBondContact O-N 3.41Å; V209-F245 HydrophobicContact CB-CD2 3.9Å; V209-F245 HydrophobicContact CB-CE2 3.88Å; V209-F245 HydrophobicContact CG2-CD2 3.66Å; V209-F245 HydrophobicContact CG2-CE2 4.13Å; V209-F245 HydrophobicContact CG2-CG 4.44Å; V209-F266 HydrophobicContact CG1-CD1 3.99Å; V209-F266 HydrophobicContact CG1-CE1 3.85Å; V209-F266 HydrophobicContact CG2-CD1 4.13Å |
| 210 | S | 94.5 | Very high | 94.4 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 145.2 | 172.2 | -47.9 | 0 | 0 | 0 | 0 | 110.5 | E212 K213 Y214 | S210-E212 PolarHBondContact O-N 2.83Å; S210-E212 VanDerWaalsContact O-N 3.13Å; S210-K213 PolarHBondContact O-N 3.5Å; S210-Y214 WeakPolarHBondContact O-CD1 3.46Å |
| 211 | R | 94 | Very high | 94.7 | Very high | 122 Ų | 122 | 59.8 Ų | 59.8 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -52.8 | -39.7 | -176.7 | -178 | 173.9 | -88.7 | 158.7 | -1.2 | 113.6 | K213 Y214 E238 D239 G240 D241 | R211-K213 PolarHBondContact O-N 3.23Å; R211-K213 VanDerWaalsContact O-N 3.11Å; R211-Y214 HydrophobicContact CB-CE2 4.48Å; R211-Y214 HydrophobicContact CG-CE2 4.18Å; R211-Y214 PolarHBondContact O-N 3.41Å; R211-E238 IonicContact CZ-OE1 3.96Å; R211-E238 IonicContact NE-OE1 2.8Å; R211-E238 PolarHBondContact NE-OE1 2.92Å; R211-E238 IonicContact NH2-OE1 3.05Å; R211-E238 PolarHBondContact NH2-OE1 3.27Å; R211-D239 PolarHBondContact NH2-O 3.49Å; R211-G240 PolarHBondContact NH1-O 2.96Å; R211-D241 PolarHBondContact N-O 3.31Å |
| 212 | E | 94.1 | Very high | 94.9 | Very high | 185 Ų | 185 | 57.3 Ų | 57.3 | 86% | 0.864 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -60.4 | -21.4 | 178 | -60.3 | 176.8 | 179.3 | 0 | 0 | 114.1 | S210 | S210-E212 PolarHBondContact O-N 2.83Å; S210-E212 VanDerWaalsContact O-N 3.13Å |
| 213 | K | 95.1 | Very high | 94.9 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -108.6 | 6.1 | -172.5 | -59 | 177.7 | -170.8 | 153.3 | 0 | 113.8 | V209 S210 R211 L215 R216 W217 K265 F266 | V209-K213 HydrophobicContact CG1-CB 4.02Å; S210-K213 PolarHBondContact O-N 3.5Å; R211-K213 PolarHBondContact O-N 3.23Å; R211-K213 VanDerWaalsContact O-N 3.11Å; K213-L215 PolarHBondContact O-N 2.97Å; K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 3.42Å; K213-R216 VanDerWaalsContact O-N 3.11Å; K213-W217 PolarHBondContact O-N 3.12Å; K213-K265 VanDerWaalsContact NZ-CB 3.32Å; K213-K265 PolarHBondContact NZ-O 3.2Å; K213-F266 HydrophobicContact CB-CE1 4.02Å; K213-F266 HydrophobicContact CD-CE1 4.25Å |
| 214 | Y | 95.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -48.6 | -179.8 | -72.3 | -3.2 | 0 | 0 | 0 | 112.7 | V209 S210 R211 R216 W217 E218 E238 G242 G243 F245 | V209-Y214 HydrophobicContact CB-CD1 4.21Å; V209-Y214 HydrophobicContact CB-CE1 4.29Å; V209-Y214 HydrophobicContact CG1-CD1 3.83Å; V209-Y214 HydrophobicContact CG1-CE1 4.35Å; V209-Y214 WeakPolarHBondContact O-CE1 3.31Å; S210-Y214 WeakPolarHBondContact O-CD1 3.46Å; R211-Y214 HydrophobicContact CB-CE2 4.48Å; R211-Y214 HydrophobicContact CG-CE2 4.18Å; R211-Y214 PolarHBondContact O-N 3.41Å; Y214-R216 PolarHBondContact O-N 2.95Å; Y214-W217 WeakPolarHBondContact O-CB 3.44Å; Y214-W217 PolarHBondContact O-N 2.94Å; Y214-W217 VanDerWaalsContact O-N 3.15Å; Y214-E218 PolarHBondContact O-N 2.86Å; Y214-E238 WeakPolarHBondContact CE2-OE1 3.43Å; Y214-E238 PolarHBondContact OH-OE1 3.48Å; Y214-G242 WeakPolarHBondContact OH-CA 3.31Å; Y214-G242 PolarHBondContact OH-O 3Å; Y214-G243 WeakPolarHBondContact OH-CA 3.43Å; Y214-G243 PolarHBondContact OH-N 3.43Å; Y214-F245 AromaticContact CD1-CE2 3.74Å; Y214-F245 HydrophobicContact CD1-CE2 3.74Å; Y214-F245 AromaticContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD2-CZ 4.41Å; Y214-F245 AromaticContact CE1-CE2 3.57Å; Y214-F245 HydrophobicContact CE1-CE2 3.57Å; Y214-F245 AromaticContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CG-CE2 4.47Å; Y214-F245 HydrophobicContact CG-CZ 4.05Å |
| 215 | L | 95 | Very high | 94.9 | Very high | 108 Ų | 108 | 58.7 Ų | 58.7 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.4 | -33.8 | 179.7 | -170.5 | 68.6 | 0 | 0 | 0 | 112.1 | K213 K219 | K213-L215 PolarHBondContact O-N 2.97Å; L215-K219 HydrophobicContact CG-CD 4.39Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.27Å |
| 216 | R | 95.2 | Very high | 94.8 | Very high | 150 Ų | 150 | 64.9 Ų | 64.9 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68 | -47 | 175.4 | -176.3 | 177.5 | 178.5 | 161.6 | -0.8 | 110.2 | K213 Y214 K219 S220 F266 | K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 3.42Å; K213-R216 VanDerWaalsContact O-N 3.11Å; Y214-R216 PolarHBondContact O-N 2.95Å; R216-K219 PolarHBondContact O-N 2.88Å; R216-S220 WeakPolarHBondContact O-CB 3.42Å; R216-S220 PolarHBondContact O-N 3.47Å; R216-S220 PolarHBondContact O-OG 2.95Å; R216-F266 HydrophobicContact CG-CZ 4.36Å |
| 217 | W | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.2 | -54.4 | 177 | 171.3 | -103.3 | 0 | 0 | 0 | 111.5 | V207 V209 K213 Y214 K219 S220 Y221 L224 S233 F245 V247 F257 F266 | V207-W217 HydrophobicContact CB-CH2 3.75Å; V207-W217 HydrophobicContact CB-CZ2 4.09Å; V207-W217 HydrophobicContact CB-CZ3 4.27Å; V207-W217 HydrophobicContact CG1-CE3 4.36Å; V207-W217 HydrophobicContact CG1-CH2 3.76Å; V207-W217 HydrophobicContact CG1-CZ2 4.41Å; V207-W217 HydrophobicContact CG1-CZ3 3.74Å; V207-W217 HydrophobicContact CG2-CH2 3.62Å; V207-W217 HydrophobicContact CG2-CZ2 4.18Å; V207-W217 HydrophobicContact CG2-CZ3 4.36Å; V209-W217 HydrophobicContact CG1-CB 3.96Å; V209-W217 HydrophobicContact CG1-CG 4.45Å; V209-W217 HydrophobicContact CG2-CB 4.29Å; V209-W217 HydrophobicContact CG2-CD2 3.88Å; V209-W217 HydrophobicContact CG2-CE3 4.14Å; V209-W217 HydrophobicContact CG2-CG 3.94Å; K213-W217 PolarHBondContact O-N 3.12Å; Y214-W217 WeakPolarHBondContact O-CB 3.44Å; Y214-W217 PolarHBondContact O-N 2.94Å; Y214-W217 VanDerWaalsContact O-N 3.15Å; W217-K219 PolarHBondContact O-N 2.82Å; W217-S220 PolarHBondContact O-N 3.38Å; W217-S220 VanDerWaalsContact O-N 3.1Å; W217-Y221 HydrophobicContact CZ2-CD2 4.41Å; W217-Y221 HydrophobicContact CZ2-CG 4.22Å; W217-Y221 WeakPolarHBondContact O-CB 3.26Å; W217-Y221 WeakPolarHBondContact O-CD1 3.48Å; W217-Y221 PolarHBondContact O-N 2.92Å; W217-L224 HydrophobicContact CZ3-CD1 3.94Å; W217-S233 PolarHBondContact NE1-OG 2.94Å; W217-F245 AromaticContact CD1-CD1 3.78Å; W217-F245 AromaticContact CD1-CG 3.93Å; W217-F245 HydrophobicContact CZ2-CB 4.26Å; W217-F245 AromaticContact NE1-CD1 3.65Å; W217-F245 AromaticContact NE1-CG 3.62Å; W217-V247 HydrophobicContact CH2-CB 4.44Å; W217-V247 HydrophobicContact CH2-CG1 4.33Å; W217-V247 HydrophobicContact CZ2-CB 4.23Å; W217-F257 HydrophobicContact CH2-CE1 4.45Å; W217-F257 AromaticContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CZ3-CZ 4.3Å; W217-F266 HydrophobicContact CB-CE1 4.14Å; W217-F266 HydrophobicContact CB-CZ 4.09Å; W217-F266 HydrophobicContact CE3-CD1 4.18Å; W217-F266 AromaticContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CE1 4.23Å; W217-F266 AromaticContact CE3-CE2 3.74Å; W217-F266 HydrophobicContact CE3-CE2 3.74Å; W217-F266 AromaticContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CZ 4.02Å; W217-F266 HydrophobicContact CZ3-CB 4.47Å; W217-F266 AromaticContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CE2 4.32Å; W217-F266 HydrophobicContact CZ3-CG 4.18Å |
| 218 | E | 94.6 | Very high | 95 | Very high | 114 Ų | 114 | 70.5 Ų | 70.5 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.5 | -36.3 | -178.7 | -72.1 | 178.8 | 176.9 | 0 | 0 | 113 | Y214 | Y214-E218 PolarHBondContact O-N 2.86Å |
| 219 | K | 94.9 | Very high | 95.1 | Very high | 160 Ų | 160 | 72.2 Ų | 72.2 | 70% | 0.696 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -81.1 | -25 | 179.4 | -70 | 178.5 | -178.8 | -178.5 | 0 | 114 | L215 R216 W217 | L215-K219 HydrophobicContact CG-CD 4.39Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.27Å; R216-K219 PolarHBondContact O-N 2.88Å; W217-K219 PolarHBondContact O-N 2.82Å |
| 220 | S | 95.3 | Very high | 95 | Very high | 25 Ų | 25 | 76 Ų | 76 | 18% | 0.175 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -114.4 | -19.6 | -168.2 | 74.2 | 0 | 0 | 0 | 0 | 115.1 | R216 W217 E222 S223 L224 | R216-S220 WeakPolarHBondContact O-CB 3.42Å; R216-S220 PolarHBondContact O-N 3.47Å; R216-S220 PolarHBondContact O-OG 2.95Å; W217-S220 PolarHBondContact O-N 3.38Å; W217-S220 VanDerWaalsContact O-N 3.1Å; S220-E222 VanDerWaalsContact C-N 3.26Å; S220-E222 PolarHBondContact O-N 3.36Å; S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 VanDerWaalsContact O-N 3.1Å; S220-S223 PolarHBondContact O-OG 3.03Å; S220-S223 VanDerWaalsContact O-OG 3.08Å; S220-L224 WeakPolarHBondContact O-CG 3.45Å; S220-L224 PolarHBondContact O-N 3.3Å |
| 221 | Y | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 84.5 Ų | 84.5 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -61.1 | -34.9 | -170 | 83.5 | -79.8 | 0 | 0 | 0 | 113.1 | W217 S223 L224 V228 R231 S232 S233 V247 | W217-Y221 HydrophobicContact CZ2-CD2 4.41Å; W217-Y221 HydrophobicContact CZ2-CG 4.22Å; W217-Y221 WeakPolarHBondContact O-CB 3.26Å; W217-Y221 WeakPolarHBondContact O-CD1 3.48Å; W217-Y221 PolarHBondContact O-N 2.92Å; Y221-S223 VanDerWaalsContact C-N 3.26Å; Y221-S223 PolarHBondContact O-N 3.33Å; Y221-L224 PolarHBondContact O-N 3.38Å; Y221-V228 HydrophobicContact CD2-CG1 4.21Å; Y221-V228 HydrophobicContact CE2-CG1 4.25Å; Y221-R231 WeakPolarHBondContact OH-CA 3.3Å; Y221-R231 PolarHBondContact OH-N 3.34Å; Y221-S232 PolarHBondContact OH-N 3.25Å; Y221-S233 VanDerWaalsContact CE2-CB 3.49Å; Y221-V247 HydrophobicContact CD2-CB 4.44Å; Y221-V247 HydrophobicContact CD2-CG2 3.68Å; Y221-V247 HydrophobicContact CE2-CG2 4.04Å |
| 222 | E | 96.3 | Very high | 95 | Very high | 81 Ų | 81 | 79.9 Ų | 79.9 | 38% | 0.379 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -66.4 | -25.6 | 179.7 | -56.8 | -173.1 | 165.3 | 0 | 0 | 113.1 | S220 P230 R231 | S220-E222 VanDerWaalsContact C-N 3.26Å; S220-E222 PolarHBondContact O-N 3.36Å; E222-P230 WeakPolarHBondContact OE1-CA 3.4Å; E222-R231 PolarHBondContact OE1-N 3.47Å |
| 223 | S | 94.9 | Very high | 95.1 | Very high | 90 Ų | 90 | 72.5 Ų | 72.5 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -103.8 | 1.1 | -178.3 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | S220 Y221 S225 | S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 VanDerWaalsContact O-N 3.1Å; S220-S223 PolarHBondContact O-OG 3.03Å; S220-S223 VanDerWaalsContact O-OG 3.08Å; Y221-S223 VanDerWaalsContact C-N 3.26Å; Y221-S223 PolarHBondContact O-N 3.33Å; S223-S225 VanDerWaalsContact C-N 3.31Å; S223-S225 PolarHBondContact O-N 2.84Å |
| 224 | L | 93.6 | Very high | 95 | Very high | 12 Ų | 12 | 76.1 Ų | 76.1 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -62 | -38.9 | 176.6 | -71.3 | 176.5 | 0 | 0 | 0 | 111.5 | W217 S220 Y221 F257 K260 A261 F266 | W217-L224 HydrophobicContact CZ3-CD1 3.94Å; S220-L224 WeakPolarHBondContact O-CG 3.45Å; S220-L224 PolarHBondContact O-N 3.3Å; Y221-L224 PolarHBondContact O-N 3.38Å; L224-F257 HydrophobicContact CB-CD2 3.96Å; L224-F257 HydrophobicContact CB-CE2 3.77Å; L224-F257 HydrophobicContact CD1-CE2 3.8Å; L224-F257 HydrophobicContact CD1-CZ 3.86Å; L224-F257 HydrophobicContact CG-CE2 4.39Å; L224-K260 HydrophobicContact CB-CB 4.38Å; L224-K260 HydrophobicContact CD2-CB 4.37Å; L224-K260 WeakPolarHBondContact O-CD 3.48Å; L224-K260 WeakPolarHBondContact O-CE 3.33Å; L224-K260 WeakPolarHBondContact O-CG 3.32Å; L224-K260 PolarHBondContact O-NZ 3.25Å; L224-A261 HydrophobicContact CD1-CB 4.48Å; L224-F266 HydrophobicContact CD1-CD2 4.27Å; L224-F266 HydrophobicContact CD1-CE2 4.48Å |
| 225 | S | 94.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 79.2 Ų | 79.2 | 6% | 0.063 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -145.2 | 158.4 | 172.1 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | S223 V228 | S223-S225 VanDerWaalsContact C-N 3.31Å; S223-S225 PolarHBondContact O-N 2.84Å; S225-V228 WeakPolarHBondContact O-CG2 3.28Å; S225-V228 WeakPolarHBondContact OG-CG2 3.41Å |
| 226 | E | 92.6 | Very high | 94.7 | Very high | 146 Ų | 146 | 75 Ų | 75 | 68% | 0.682 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 152.9 | 164 | -66.9 | 175.9 | 176 | 0 | 0 | 110.1 | V228 A253 | E226-V228 VanDerWaalsContact C-N 3.34Å; E226-V228 PolarHBondContact O-N 2.89Å; E226-A253 VanDerWaalsContact O-CB 3.26Å; E226-A253 WeakPolarHBondContact O-CB 3.4Å |
| 227 | F | 95.8 | Very high | 94.5 | Very high | 105 Ų | 105 | 69.6 Ų | 69.6 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 27.1 | 179.5 | -47.8 | -80.3 | 0 | 0 | 0 | 115.5 | L249 F250 A253 | F227-L249 WeakPolarHBondContact O-CA 3.41Å; F227-L249 WeakPolarHBondContact O-CB 3.33Å; F227-F250 HydrophobicContact CB-CB 3.78Å; F227-F250 HydrophobicContact CB-CD2 3.69Å; F227-F250 HydrophobicContact CB-CG 3.94Å; F227-F250 HydrophobicContact CD1-CD2 4.39Å; F227-F250 WeakPolarHBondContact O-CD2 3.47Å; F227-F250 PolarHBondContact O-N 3.31Å; F227-A253 HydrophobicContact CB-CB 4.08Å |
| 228 | V | 96.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -81.7 | 137.3 | 161.7 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | Y221 S225 E226 P230 V247 L249 F257 | Y221-V228 HydrophobicContact CD2-CG1 4.21Å; Y221-V228 HydrophobicContact CE2-CG1 4.25Å; S225-V228 WeakPolarHBondContact O-CG2 3.28Å; S225-V228 WeakPolarHBondContact OG-CG2 3.41Å; E226-V228 VanDerWaalsContact C-N 3.34Å; E226-V228 PolarHBondContact O-N 2.89Å; V228-P230 WeakPolarHBondContact O-CD 3.44Å; V228-V247 HydrophobicContact CG1-CG2 3.89Å; V228-L249 HydrophobicContact CG2-CB 4.25Å; V228-F257 HydrophobicContact CG2-CD2 3.7Å; V228-F257 HydrophobicContact CG2-CE2 3.84Å |
| 229 | V | 95.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 118.7 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | L202 S232 T248 | L202-V229 HydrophobicContact CD2-CG2 4.16Å; V229-S232 WeakPolarHBondContact O-CB 3.33Å; V229-S232 PolarHBondContact O-N 2.94Å; V229-S232 PolarHBondContact O-OG 3.42Å; V229-T248 WeakPolarHBondContact CB-O 3.43Å; V229-T248 HydrophobicContact CG2-CG2 4.14Å; V229-T248 PolarHBondContact N-O 3.39Å |
| 230 | P | 94.6 | Very high | 93.4 | Very high | 81 Ų | 81 | 64.5 Ų | 64.5 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 150.9 | 178.5 | -22.2 | 34.5 | 0 | 0 | 0 | 112 | E222 V228 S232 | E222-P230 WeakPolarHBondContact OE1-CA 3.4Å; V228-P230 WeakPolarHBondContact O-CD 3.44Å; P230-S232 PolarHBondContact O-N 3.03Å; P230-S232 VanDerWaalsContact O-N 3.14Å |
| 231 | R | 93.9 | Very high | 93 | Very high | 230 Ų | 230 | 69.6 Ų | 69.6 | 87% | 0.868 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 23.2 | -177.1 | -57.9 | 179.2 | -72.7 | 179.4 | -3.7 | 114.5 | Y221 E222 | Y221-R231 WeakPolarHBondContact OH-CA 3.3Å; Y221-R231 PolarHBondContact OH-N 3.34Å; E222-R231 PolarHBondContact OE1-N 3.47Å |
| 232 | S | 94.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 69.1 Ų | 69.1 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | trans | -91.1 | -10.5 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | Y221 V229 P230 T248 | Y221-S232 PolarHBondContact OH-N 3.25Å; V229-S232 WeakPolarHBondContact O-CB 3.33Å; V229-S232 PolarHBondContact O-N 2.94Å; V229-S232 PolarHBondContact O-OG 3.42Å; P230-S232 PolarHBondContact O-N 3.03Å; P230-S232 VanDerWaalsContact O-N 3.14Å; S232-T248 PolarHBondContact OG-N 2.68Å; S232-T248 PolarHBondContact OG-O 2.86Å | ||
| 233 | S | 95.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 65.3 Ų | 65.3 | 22% | 0.217 | 34% | 0.337 | C | S | . | . | trans | -81.4 | 126 | -178.3 | 166.4 | 0 | 0 | 0 | 0 | 112.6 | W217 Y221 T246 | W217-S233 PolarHBondContact NE1-OG 2.94Å; Y221-S233 VanDerWaalsContact CE2-CB 3.49Å; S233-T246 WeakPolarHBondContact CA-O 3.41Å; S233-T246 VanDerWaalsContact CB-O 3.3Å; S233-T246 WeakPolarHBondContact CB-O 3.48Å; S233-T246 PolarHBondContact OG-O 3.34Å | ||
| 234 | R | 92.6 | Very high | 92.6 | Very high | 124 Ų | 124 | 61 Ų | 61 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | trans | -131.4 | 137.4 | 175.6 | -163.6 | -177.2 | 87 | -160.7 | 6.6 | 110.4 | D195 I236 F245 T246 | D195-R234 IonicContact OD1-CZ 2.8Å; D195-R234 IonicContact OD1-NH1 2.67Å; D195-R234 PolarHBondContact OD1-NH1 3.22Å; D195-R234 IonicContact OD1-NH2 3.88Å; D195-R234 PolarHBondContact OD1-NH2 2.87Å; D195-R234 IonicContact OD2-NH2 3.5Å; D195-R234 PolarHBondContact OD2-NH2 3.46Å; R234-I236 VanDerWaalsContact NH2-CD1 3.33Å; R234-I236 PolarHBondContact O-N 3.43Å; R234-F245 CarbonylContact O-C 3.49Å; R234-F245 VanDerWaalsContact O-CA 3.26Å; R234-F245 WeakPolarHBondContact O-CA 3.42Å; R234-T246 WeakPolarHBondContact CB-OG1 3.32Å; R234-T246 PolarHBondContact N-OG1 3.29Å; R234-T246 VanDerWaalsContact N-OG1 3.13Å; R234-T246 PolarHBondContact O-N 2.93Å; R234-T246 PolarHBondContact O-OG1 3.06Å | ||
| 235 | K | 93.4 | Very high | 92.7 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.9 | 170.8 | -167.4 | 172 | 62.6 | 177.1 | 0 | 109.5 | E238 F245 | K235-E238 HydrophobicContact CD-CB 4.25Å; K235-E238 IonicContact NZ-OE2 3.3Å; K235-E238 PolarHBondContact NZ-OE2 3.22Å; K235-F245 HydrophobicContact CB-CD1 3.9Å; K235-F245 HydrophobicContact CB-CE1 3.65Å; K235-F245 HydrophobicContact CB-CZ 4.13Å; K235-F245 HydrophobicContact CD-CE1 4.15Å; K235-F245 HydrophobicContact CD-CE2 4.39Å; K235-F245 HydrophobicContact CD-CZ 3.8Å; K235-F245 HydrophobicContact CG-CD1 4.39Å; K235-F245 HydrophobicContact CG-CE1 3.98Å; K235-F245 HydrophobicContact CG-CE2 4.29Å; K235-F245 HydrophobicContact CG-CZ 3.92Å |
| 236 | I | 91.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -45.4 | -180 | -57.5 | -56.5 | 0 | 0 | 0 | 110.4 | V190 L191 D195 R234 I244 T246 | V190-I236 HydrophobicContact CB-CG2 4.27Å; V190-I236 HydrophobicContact CG1-CG2 3.76Å; V190-I236 WeakPolarHBondContact CG1-O 3.32Å; L191-I236 HydrophobicContact CB-CG2 4.43Å; L191-I236 HydrophobicContact CD1-CD1 4.16Å; L191-I236 HydrophobicContact CD1-CG1 4.02Å; L191-I236 HydrophobicContact CD1-CG2 3.84Å; D195-I236 HydrophobicContact CB-CD1 4.48Å; R234-I236 VanDerWaalsContact NH2-CD1 3.33Å; R234-I236 PolarHBondContact O-N 3.43Å; I236-I244 PolarHBondContact N-O 3.38Å; I236-T246 HydrophobicContact CD1-CG2 3.72Å; I236-T246 HydrophobicContact CG1-CG2 3.62Å |
| 237 | F | 90.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150.5 | -175.2 | -176.4 | -105.1 | 0 | 0 | 0 | 110.1 | L182 V190 D239 G243 I244 | L182-F237 HydrophobicContact CD2-CD1 3.54Å; L182-F237 HydrophobicContact CD2-CE1 3.64Å; V190-F237 HydrophobicContact CG1-CB 4.13Å; V190-F237 HydrophobicContact CG1-CD2 4.23Å; V190-F237 HydrophobicContact CG2-CD2 3.85Å; V190-F237 HydrophobicContact CG2-CE2 4.5Å; V190-F237 HydrophobicContact CG2-CG 4.5Å; F237-D239 HydrophobicContact CE1-CB 3.93Å; F237-D239 HydrophobicContact CZ-CB 4.3Å; F237-G243 CarbonylContact O-C 3.32Å; F237-G243 WeakPolarHBondContact O-CA 3.42Å; F237-I244 HydrophobicContact CB-CB 4.45Å; F237-I244 HydrophobicContact CD1-CD1 4.5Å; F237-I244 PolarHBondContact O-N 3.39Å |
| 238 | E | 90.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.9 | 174.5 | 175.4 | 166.8 | -160.4 | 0 | 0 | 110 | R211 Y214 K235 G242 | R211-E238 IonicContact CZ-OE1 3.96Å; R211-E238 IonicContact NE-OE1 2.8Å; R211-E238 PolarHBondContact NE-OE1 2.92Å; R211-E238 IonicContact NH2-OE1 3.05Å; R211-E238 PolarHBondContact NH2-OE1 3.27Å; Y214-E238 WeakPolarHBondContact CE2-OE1 3.43Å; Y214-E238 PolarHBondContact OH-OE1 3.48Å; K235-E238 HydrophobicContact CD-CB 4.25Å; K235-E238 IonicContact NZ-OE2 3.3Å; K235-E238 PolarHBondContact NZ-OE2 3.22Å; E238-G242 WeakPolarHBondContact CA-O 3.36Å |
| 239 | D | 88.1 | Confident | 92.8 | Very high | 46 Ų | 46 | 48.4 Ų | 48.4 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | trans | -125.2 | -158.2 | 171 | 69.5 | 11.6 | 0 | 0 | 0 | 111.8 | L182 R211 F237 D241 G242 | L182-D239 WeakPolarHBondContact CD1-OD1 3.49Å; L182-D239 HydrophobicContact CD2-CB 4.31Å; L182-D239 WeakPolarHBondContact CD2-OD2 3.11Å; L182-D239 WeakPolarHBondContact CG-OD2 3.41Å; R211-D239 PolarHBondContact NH2-O 3.49Å; F237-D239 HydrophobicContact CE1-CB 3.93Å; F237-D239 HydrophobicContact CZ-CB 4.3Å; D239-D241 PolarHBondContact OD1-N 3.01Å; D239-G242 PolarHBondContact N-O 3.34Å; D239-G242 PolarHBondContact OD1-N 2.91Å | ||
| 240 | G | 85.9 | Confident | 92.9 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 58% | 0.577 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -68.4 | -30.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R211 | R211-G240 PolarHBondContact NH1-O 2.96Š|
| 241 | D | 85.6 | Confident | 92.9 | Very high | 132 Ų | 132 | 50.6 Ų | 50.6 | 71% | 0.706 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -98.8 | -28.4 | -169.4 | -66.7 | -24.7 | 0 | 0 | 0 | 112.3 | R211 D239 | R211-D241 PolarHBondContact N-O 3.31Å; D239-D241 PolarHBondContact OD1-N 3.01Å |
| 242 | G | 92.8 | Very high | 93 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -156.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L182 V209 Y214 E238 D239 | L182-G242 VanDerWaalsContact CD1-C 3.4Å; V209-G242 CarbonylContact O-C 3.51Å; V209-G242 VanDerWaalsContact O-CA 3.28Å; V209-G242 WeakPolarHBondContact O-CA 3.39Å; Y214-G242 WeakPolarHBondContact OH-CA 3.31Å; Y214-G242 PolarHBondContact OH-O 3Å; E238-G242 WeakPolarHBondContact CA-O 3.36Å; D239-G242 PolarHBondContact N-O 3.34Å; D239-G242 PolarHBondContact OD1-N 2.91Å |
| 243 | G | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 156.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V209 Y214 F237 | V209-G243 PolarHBondContact N-O 2.88Å; V209-G243 PolarHBondContact O-N 3.41Å; Y214-G243 WeakPolarHBondContact OH-CA 3.43Å; Y214-G243 PolarHBondContact OH-N 3.43Å; F237-G243 CarbonylContact O-C 3.32Å; F237-G243 WeakPolarHBondContact O-CA 3.42Å |
| 244 | I | 94 | Very high | 93 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 123.3 | 177.3 | -55.5 | -179.6 | 0 | 0 | 0 | 107.9 | L182 L187 L206 V207 V208 I236 F237 | L182-I244 HydrophobicContact CB-CG1 4.49Å; L182-I244 HydrophobicContact CD2-CD1 4.25Å; L182-I244 HydrophobicContact CD2-CG1 4.09Å; L187-I244 HydrophobicContact CD1-CD1 3.92Å; L187-I244 HydrophobicContact CD2-CD1 3.48Å; L187-I244 VanDerWaalsContact CD2-CD1 3.48Å; L187-I244 HydrophobicContact CG-CD1 4.33Å; L206-I244 HydrophobicContact CB-CG2 4.08Å; L206-I244 HydrophobicContact CD2-CG2 4.31Å; V207-I244 WeakPolarHBondContact O-CA 3.32Å; V208-I244 HydrophobicContact CG2-CG1 4.35Å; I236-I244 PolarHBondContact N-O 3.38Å; F237-I244 HydrophobicContact CB-CB 4.45Å; F237-I244 HydrophobicContact CD1-CD1 4.5Å; F237-I244 PolarHBondContact O-N 3.39Å |
| 245 | F | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.1 | 178.6 | -65.6 | -102.5 | 0 | 0 | 0 | 109.9 | L206 V207 V209 Y214 W217 R234 K235 | L206-F245 CarbonylContact C-O 3.55Å; L206-F245 WeakPolarHBondContact CA-O 3.21Å; V207-F245 PolarHBondContact N-O 3.5Å; V207-F245 PolarHBondContact O-N 3.07Å; V209-F245 HydrophobicContact CB-CD2 3.9Å; V209-F245 HydrophobicContact CB-CE2 3.88Å; V209-F245 HydrophobicContact CG2-CD2 3.66Å; V209-F245 HydrophobicContact CG2-CE2 4.13Å; V209-F245 HydrophobicContact CG2-CG 4.44Å; Y214-F245 AromaticContact CD1-CE2 3.74Å; Y214-F245 HydrophobicContact CD1-CE2 3.74Å; Y214-F245 AromaticContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD2-CZ 4.41Å; Y214-F245 AromaticContact CE1-CE2 3.57Å; Y214-F245 HydrophobicContact CE1-CE2 3.57Å; Y214-F245 AromaticContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CG-CE2 4.47Å; Y214-F245 HydrophobicContact CG-CZ 4.05Å; W217-F245 AromaticContact CD1-CD1 3.78Å; W217-F245 AromaticContact CD1-CG 3.93Å; W217-F245 HydrophobicContact CZ2-CB 4.26Å; W217-F245 AromaticContact NE1-CD1 3.65Å; W217-F245 AromaticContact NE1-CG 3.62Å; R234-F245 CarbonylContact O-C 3.49Å; R234-F245 VanDerWaalsContact O-CA 3.26Å; R234-F245 WeakPolarHBondContact O-CA 3.42Å; K235-F245 HydrophobicContact CB-CD1 3.9Å; K235-F245 HydrophobicContact CB-CE1 3.65Å; K235-F245 HydrophobicContact CB-CZ 4.13Å; K235-F245 HydrophobicContact CD-CE1 4.15Å; K235-F245 HydrophobicContact CD-CE2 4.39Å; K235-F245 HydrophobicContact CD-CZ 3.8Å; K235-F245 HydrophobicContact CG-CD1 4.39Å; K235-F245 HydrophobicContact CG-CE1 3.98Å; K235-F245 HydrophobicContact CG-CE2 4.29Å; K235-F245 HydrophobicContact CG-CZ 3.92Å |
| 246 | T | 94.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 157.4 | 165.3 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | T204 L205 L206 S233 R234 I236 | T204-T246 HydrophobicContact CG2-CG2 3.88Å; L205-T246 CarbonylContact O-C 3.52Å; L205-T246 WeakPolarHBondContact O-CA 3.42Å; L206-T246 HydrophobicContact CD2-CG2 3.69Å; S233-T246 WeakPolarHBondContact CA-O 3.41Å; S233-T246 VanDerWaalsContact CB-O 3.3Å; S233-T246 WeakPolarHBondContact CB-O 3.48Å; S233-T246 PolarHBondContact OG-O 3.34Å; R234-T246 WeakPolarHBondContact CB-OG1 3.32Å; R234-T246 PolarHBondContact N-OG1 3.29Å; R234-T246 VanDerWaalsContact N-OG1 3.13Å; R234-T246 PolarHBondContact O-N 2.93Å; R234-T246 PolarHBondContact O-OG1 3.06Å; I236-T246 HydrophobicContact CD1-CG2 3.72Å; I236-T246 HydrophobicContact CG1-CG2 3.62Å |
| 247 | V | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 130.1 | 164.3 | 57.6 | 0 | 0 | 0 | 0 | 108.7 | T204 L205 V207 W217 Y221 V228 L249 F257 | T204-V247 CarbonylContact C-O 3.59Å; T204-V247 VanDerWaalsContact CA-O 3.28Å; T204-V247 WeakPolarHBondContact CA-O 3.43Å; L205-V247 HydrophobicContact CB-CG1 3.95Å; L205-V247 PolarHBondContact N-O 3.42Å; L205-V247 PolarHBondContact O-N 3.1Å; V207-V247 HydrophobicContact CG2-CG1 3.85Å; W217-V247 HydrophobicContact CH2-CB 4.44Å; W217-V247 HydrophobicContact CH2-CG1 4.33Å; W217-V247 HydrophobicContact CZ2-CB 4.23Å; Y221-V247 HydrophobicContact CD2-CB 4.44Å; Y221-V247 HydrophobicContact CD2-CG2 3.68Å; Y221-V247 HydrophobicContact CE2-CG2 4.04Å; V228-V247 HydrophobicContact CG1-CG2 3.89Å; V247-L249 HydrophobicContact CG1-CD2 4.46Å; V247-F257 HydrophobicContact CB-CZ 4.45Å; V247-F257 HydrophobicContact CG1-CE1 3.81Å; V247-F257 HydrophobicContact CG1-CZ 3.78Å; V247-F257 HydrophobicContact CG2-CE2 4.34Å; V247-F257 HydrophobicContact CG2-CZ 4.08Å |
| 248 | T | 95.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.2 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 110 | V197 L202 T203 T204 V229 S232 | V197-T248 HydrophobicContact CB-CG2 4.05Å; V197-T248 HydrophobicContact CG1-CG2 4.36Å; L202-T248 HydrophobicContact CB-CG2 4.33Å; T203-T248 WeakPolarHBondContact O-CA 3.39Å; T204-T248 PolarHBondContact OG1-OG1 3.37Å; V229-T248 WeakPolarHBondContact CB-O 3.43Å; V229-T248 HydrophobicContact CG2-CG2 4.14Å; V229-T248 PolarHBondContact N-O 3.39Å; S232-T248 PolarHBondContact OG-N 2.68Å; S232-T248 PolarHBondContact OG-O 2.86Å |
| 249 | L | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 168.1 | -177.8 | 68.8 | 163.4 | 0 | 0 | 0 | 110.7 | L202 T203 L205 F227 V228 V247 A253 V254 F257 | L202-L249 WeakPolarHBondContact CA-O 3.37Å; T203-L249 HydrophobicContact CG2-CD2 4.41Å; T203-L249 PolarHBondContact N-O 3.02Å; T203-L249 PolarHBondContact O-N 3.02Å; T203-L249 VanDerWaalsContact O-O 3.11Å; L205-L249 HydrophobicContact CB-CD2 4.44Å; L205-L249 HydrophobicContact CD1-CD1 4.29Å; L205-L249 HydrophobicContact CD1-CD2 3.58Å; L205-L249 HydrophobicContact CG-CD2 3.7Å; F227-L249 WeakPolarHBondContact O-CA 3.41Å; F227-L249 WeakPolarHBondContact O-CB 3.33Å; V228-L249 HydrophobicContact CG2-CB 4.25Å; V247-L249 HydrophobicContact CG1-CD2 4.46Å; L249-A253 HydrophobicContact CD1-CB 4.23Å; L249-V254 HydrophobicContact CD1-CG2 4.33Å; L249-V254 HydrophobicContact CG-CG2 4.42Å; L249-F257 HydrophobicContact CD1-CB 3.55Å; L249-F257 HydrophobicContact CD1-CD1 4.33Å; L249-F257 HydrophobicContact CD1-CD2 4.11Å; L249-F257 HydrophobicContact CD1-CG 3.74Å |
| 250 | F | 96.2 | Very high | 94.5 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 34% | 0.338 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 139.8 | 174.3 | -75.1 | -109.6 | 0 | 0 | 0 | 111.1 | Y201 L202 F227 R252 A253 | Y201-F250 CarbonylContact O-C 3.51Å; Y201-F250 VanDerWaalsContact O-CA 3.3Å; Y201-F250 WeakPolarHBondContact O-CA 3.36Å; L202-F250 HydrophobicContact CD2-CD1 4.19Å; L202-F250 HydrophobicContact CD2-CD2 3.57Å; L202-F250 HydrophobicContact CD2-CE1 4.27Å; L202-F250 HydrophobicContact CD2-CE2 3.68Å; L202-F250 HydrophobicContact CD2-CG 3.87Å; L202-F250 HydrophobicContact CD2-CZ 4.03Å; F227-F250 HydrophobicContact CB-CB 3.78Å; F227-F250 HydrophobicContact CB-CD2 3.69Å; F227-F250 HydrophobicContact CB-CG 3.94Å; F227-F250 HydrophobicContact CD1-CD2 4.39Å; F227-F250 WeakPolarHBondContact O-CD2 3.47Å; F227-F250 PolarHBondContact O-N 3.31Å; F250-R252 HydrophobicContact CB-CG 4.13Å; F250-R252 PolarHBondContact O-N 3.05Å; F250-R252 VanDerWaalsContact O-N 3.12Å; F250-A253 WeakPolarHBondContact O-CB 3.48Å; F250-A253 PolarHBondContact O-N 3.14Å |
| 251 | K | 95.1 | Very high | 95 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -53.2 | -37.4 | -179.9 | -71.6 | -176.7 | -175.6 | 168.2 | 0 | 113.2 | S199 E200 Y201 T203 A253 V254 | S199-K251 WeakPolarHBondContact O-CE 3.27Å; S199-K251 PolarHBondContact O-NZ 3.12Å; E200-K251 WeakPolarHBondContact O-CD 3.3Å; E200-K251 PolarHBondContact O-NZ 3.32Å; E200-K251 VanDerWaalsContact O-NZ 3.1Å; Y201-K251 PolarHBondContact O-N 2.83Å; T203-K251 HydrophobicContact CG2-CG 4.05Å; K251-A253 PolarHBondContact O-N 3.28Å; K251-V254 WeakPolarHBondContact O-CB 3.41Å; K251-V254 WeakPolarHBondContact O-CG2 3.33Å; K251-V254 PolarHBondContact O-N 2.97Å |
| 252 | R | 95.4 | Very high | 95.4 | Very high | 194 Ų | 194 | 48.6 Ų | 48.6 | 73% | 0.732 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -63.5 | -20.2 | 177.5 | 65.1 | 173.3 | 57.4 | -174.8 | -3 | 114.4 | F250 | F250-R252 HydrophobicContact CB-CG 4.13Å; F250-R252 PolarHBondContact O-N 3.05Å; F250-R252 VanDerWaalsContact O-N 3.12Å |
| 253 | A | 95.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -95.9 | -8.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E226 F227 L249 F250 K251 C255 K256 F257 | E226-A253 VanDerWaalsContact O-CB 3.26Å; E226-A253 WeakPolarHBondContact O-CB 3.4Å; F227-A253 HydrophobicContact CB-CB 4.08Å; L249-A253 HydrophobicContact CD1-CB 4.23Å; F250-A253 WeakPolarHBondContact O-CB 3.48Å; F250-A253 PolarHBondContact O-N 3.14Å; K251-A253 PolarHBondContact O-N 3.28Å; A253-C255 PolarHBondContact O-N 3.03Å; A253-K256 PolarHBondContact O-N 3.28Å; A253-F257 WeakPolarHBondContact O-CB 3.27Å; A253-F257 PolarHBondContact O-N 3.46Å |
| 254 | V | 95.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.8 | -48.8 | -174 | 171 | 0 | 0 | 0 | 0 | 112.7 | T203 L205 L249 K251 K256 F257 K258 | T203-V254 HydrophobicContact CG2-CG2 3.51Å; L205-V254 HydrophobicContact CD1-CG1 4.24Å; L205-V254 HydrophobicContact CD1-CG2 4.49Å; L205-V254 HydrophobicContact CD2-CG1 4.34Å; L249-V254 HydrophobicContact CD1-CG2 4.33Å; L249-V254 HydrophobicContact CG-CG2 4.42Å; K251-V254 WeakPolarHBondContact O-CB 3.41Å; K251-V254 WeakPolarHBondContact O-CG2 3.33Å; K251-V254 PolarHBondContact O-N 2.97Å; V254-K256 PolarHBondContact O-N 3.1Å; V254-F257 PolarHBondContact O-N 3.06Å; V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.43Å; V254-K258 WeakPolarHBondContact O-CB 3.26Å; V254-K258 WeakPolarHBondContact O-CG 3.44Å; V254-K258 PolarHBondContact O-N 2.8Å |
| 255 | C | 95.2 | Very high | 95.4 | Very high | 106 Ų | 106 | 64.1 Ų | 64.1 | 72% | 0.716 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | -178.8 | -62.3 | 0 | 0 | 0 | 0 | 112 | A253 K258 A259 | A253-C255 PolarHBondContact O-N 3.03Å; C255-K258 PolarHBondContact O-N 3.22Å; C255-A259 PolarHBondContact O-N 3.34Å |
| 256 | K | 96.5 | Very high | 95.5 | Very high | 141 Ų | 141 | 64 Ų | 64 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 177.7 | -69 | -176.9 | 178.8 | -179.2 | 0 | 111.3 | A253 V254 A259 K260 | A253-K256 PolarHBondContact O-N 3.28Å; V254-K256 PolarHBondContact O-N 3.1Å; K256-A259 PolarHBondContact O-N 2.9Å; K256-K260 WeakPolarHBondContact O-CG 3.36Å; K256-K260 PolarHBondContact O-N 3.05Å; K256-K260 VanDerWaalsContact O-N 3.14Å |
| 257 | F | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 177.5 | -174.2 | -90.6 | 0 | 0 | 0 | 111.7 | L205 V207 W217 L224 V228 V247 L249 A253 V254 A259 K260 A261 V268 | L205-F257 HydrophobicContact CD1-CD1 3.91Å; L205-F257 HydrophobicContact CD1-CE1 4.4Å; V207-F257 HydrophobicContact CG2-CE1 4.29Å; W217-F257 HydrophobicContact CH2-CE1 4.45Å; W217-F257 AromaticContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CZ3-CZ 4.3Å; L224-F257 HydrophobicContact CB-CD2 3.96Å; L224-F257 HydrophobicContact CB-CE2 3.77Å; L224-F257 HydrophobicContact CD1-CE2 3.8Å; L224-F257 HydrophobicContact CD1-CZ 3.86Å; L224-F257 HydrophobicContact CG-CE2 4.39Å; V228-F257 HydrophobicContact CG2-CD2 3.7Å; V228-F257 HydrophobicContact CG2-CE2 3.84Å; V247-F257 HydrophobicContact CB-CZ 4.45Å; V247-F257 HydrophobicContact CG1-CE1 3.81Å; V247-F257 HydrophobicContact CG1-CZ 3.78Å; V247-F257 HydrophobicContact CG2-CE2 4.34Å; V247-F257 HydrophobicContact CG2-CZ 4.08Å; L249-F257 HydrophobicContact CD1-CB 3.55Å; L249-F257 HydrophobicContact CD1-CD1 4.33Å; L249-F257 HydrophobicContact CD1-CD2 4.11Å; L249-F257 HydrophobicContact CD1-CG 3.74Å; A253-F257 WeakPolarHBondContact O-CB 3.27Å; A253-F257 PolarHBondContact O-N 3.46Å; V254-F257 PolarHBondContact O-N 3.06Å; F257-A259 VanDerWaalsContact C-N 3.32Å; F257-A259 PolarHBondContact O-N 2.85Å; F257-K260 PolarHBondContact O-N 2.87Å; F257-A261 HydrophobicContact CD1-CB 4.46Å; F257-A261 HydrophobicContact CE1-CB 4.27Å; F257-A261 VanDerWaalsContact O-CB 3.22Å; F257-A261 WeakPolarHBondContact O-CB 3.5Å; F257-A261 PolarHBondContact O-N 3.02Å; F257-V268 HydrophobicContact CD1-CG2 4.45Å; F257-V268 HydrophobicContact CE1-CG2 4.34Å |
| 258 | K | 96.3 | Very high | 95.3 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 27% | 0.274 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.8 | -44.9 | 177.5 | -78.3 | -172.6 | 173.1 | -169.3 | 0 | 112 | V254 C255 A261 Q262 V268 D270 | V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.43Å; V254-K258 WeakPolarHBondContact O-CB 3.26Å; V254-K258 WeakPolarHBondContact O-CG 3.44Å; V254-K258 PolarHBondContact O-N 2.8Å; C255-K258 PolarHBondContact O-N 3.22Å; K258-A261 PolarHBondContact O-N 2.89Å; K258-Q262 WeakPolarHBondContact O-CB 3.47Å; K258-Q262 PolarHBondContact O-N 3.31Å; K258-V268 HydrophobicContact CD-CG1 4.44Å; K258-V268 HydrophobicContact CG-CB 4.05Å; K258-V268 HydrophobicContact CG-CG1 3.99Å; K258-V268 HydrophobicContact CG-CG2 4.1Å; K258-D270 IonicContact NZ-OD1 2.73Å; K258-D270 PolarHBondContact NZ-OD1 2.96Å; K258-D270 IonicContact NZ-OD2 3.14Å; K258-D270 PolarHBondContact NZ-OD2 3.1Å |
| 259 | A | 96.1 | Very high | 95 | Very high | 46 Ų | 46 | 69.6 Ų | 69.6 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -51 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C255 K256 F257 A261 Q262 E263 | C255-A259 PolarHBondContact O-N 3.34Å; K256-A259 PolarHBondContact O-N 2.9Å; F257-A259 VanDerWaalsContact C-N 3.32Å; F257-A259 PolarHBondContact O-N 2.85Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 3.41Å; A259-Q262 WeakPolarHBondContact O-CB 3.35Å; A259-Q262 PolarHBondContact O-N 3.09Å; A259-E263 WeakPolarHBondContact O-CG 3.48Å; A259-E263 PolarHBondContact O-N 3.44Å |
| 260 | K | 96.6 | Very high | 94.5 | Very high | 91 Ų | 91 | 75.3 Ų | 75.3 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.4 | -33.9 | -180 | -61.8 | -127.6 | -151.3 | 138.8 | 0 | 113.3 | L224 K256 F257 S264 | L224-K260 HydrophobicContact CB-CB 4.38Å; L224-K260 HydrophobicContact CD2-CB 4.37Å; L224-K260 WeakPolarHBondContact O-CD 3.48Å; L224-K260 WeakPolarHBondContact O-CE 3.33Å; L224-K260 WeakPolarHBondContact O-CG 3.32Å; L224-K260 PolarHBondContact O-NZ 3.25Å; K256-K260 WeakPolarHBondContact O-CG 3.36Å; K256-K260 PolarHBondContact O-N 3.05Å; K256-K260 VanDerWaalsContact O-N 3.14Å; F257-K260 PolarHBondContact O-N 2.87Å; K260-S264 WeakPolarHBondContact O-CB 3.48Å; K260-S264 PolarHBondContact O-N 2.84Å; K260-S264 PolarHBondContact O-OG 3.14Å |
| 261 | A | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L224 F257 K258 A259 S264 K265 F266 V268 | L224-A261 HydrophobicContact CD1-CB 4.48Å; F257-A261 HydrophobicContact CD1-CB 4.46Å; F257-A261 HydrophobicContact CE1-CB 4.27Å; F257-A261 VanDerWaalsContact O-CB 3.22Å; F257-A261 WeakPolarHBondContact O-CB 3.5Å; F257-A261 PolarHBondContact O-N 3.02Å; K258-A261 PolarHBondContact O-N 2.89Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 3.41Å; A261-S264 CarbonylContact O-C 3.59Å; A261-S264 WeakPolarHBondContact O-CA 3.35Å; A261-S264 PolarHBondContact O-N 3.08Å; A261-S264 VanDerWaalsContact O-N 3.13Å; A261-K265 PolarHBondContact O-N 3.21Å; A261-F266 CarbonylContact C-O 3.55Å; A261-F266 VanDerWaalsContact C-O 3.32Å; A261-F266 HydrophobicContact CB-CB 4.22Å; A261-F266 WeakPolarHBondContact O-CA 3.37Å; A261-F266 WeakPolarHBondContact O-CB 3.35Å; A261-F266 PolarHBondContact O-N 3.09Å; A261-F266 VanDerWaalsContact O-O 3.13Å; A261-V268 HydrophobicContact CB-CG2 3.7Å |
| 262 | Q | 94.3 | Very high | 93.5 | Very high | 151 Ų | 151 | 71.2 Ų | 71.2 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 177 | -172.7 | 176.7 | 4.7 | 0 | 0 | 112.4 | K258 A259 S264 K265 | K258-Q262 WeakPolarHBondContact O-CB 3.47Å; K258-Q262 PolarHBondContact O-N 3.31Å; A259-Q262 WeakPolarHBondContact O-CB 3.35Å; A259-Q262 PolarHBondContact O-N 3.09Å; Q262-S264 PolarHBondContact O-N 3.32Å; Q262-K265 WeakPolarHBondContact O-CA 3.4Å; Q262-K265 PolarHBondContact O-N 2.89Å |
| 263 | E | 95 | Very high | 93 | Very high | 150 Ų | 150 | 64.1 Ų | 64.1 | 70% | 0.701 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.7 | -37.4 | 172.7 | -71.8 | 169.3 | -169.3 | 0 | 0 | 111.9 | A259 K265 | A259-E263 WeakPolarHBondContact O-CG 3.48Å; A259-E263 PolarHBondContact O-N 3.44Å; E263-K265 PolarHBondContact O-N 3.24Å |
| 264 | S | 93.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 16% | 0.161 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5.7 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | K260 A261 Q262 F266 | K260-S264 WeakPolarHBondContact O-CB 3.48Å; K260-S264 PolarHBondContact O-N 2.84Å; K260-S264 PolarHBondContact O-OG 3.14Å; A261-S264 CarbonylContact O-C 3.59Å; A261-S264 WeakPolarHBondContact O-CA 3.35Å; A261-S264 PolarHBondContact O-N 3.08Å; A261-S264 VanDerWaalsContact O-N 3.13Å; Q262-S264 PolarHBondContact O-N 3.32Å; S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 PolarHBondContact O-N 3.2Å |
| 265 | K | 93.6 | Very high | 92 | Very high | 153 Ų | 153 | 72.6 Ų | 72.6 | 67% | 0.665 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 35.8 | -176.5 | -53 | -179.4 | 179.2 | -177.2 | 0 | 113.1 | K213 A261 Q262 E263 | K213-K265 VanDerWaalsContact NZ-CB 3.32Å; K213-K265 PolarHBondContact NZ-O 3.2Å; A261-K265 PolarHBondContact O-N 3.21Å; Q262-K265 WeakPolarHBondContact O-CA 3.4Å; Q262-K265 PolarHBondContact O-N 2.89Å; E263-K265 PolarHBondContact O-N 3.24Å |
| 266 | F | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | trans | -101.9 | 138.2 | 165.3 | -54.3 | -51.2 | 0 | 0 | 0 | 108.7 | V207 V209 K213 R216 W217 L224 A261 S264 | V207-F266 HydrophobicContact CG1-CB 3.78Å; V209-F266 HydrophobicContact CG1-CD1 3.99Å; V209-F266 HydrophobicContact CG1-CE1 3.85Å; V209-F266 HydrophobicContact CG2-CD1 4.13Å; K213-F266 HydrophobicContact CB-CE1 4.02Å; K213-F266 HydrophobicContact CD-CE1 4.25Å; R216-F266 HydrophobicContact CG-CZ 4.36Å; W217-F266 HydrophobicContact CB-CE1 4.14Å; W217-F266 HydrophobicContact CB-CZ 4.09Å; W217-F266 HydrophobicContact CE3-CD1 4.18Å; W217-F266 AromaticContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CE1 4.23Å; W217-F266 AromaticContact CE3-CE2 3.74Å; W217-F266 HydrophobicContact CE3-CE2 3.74Å; W217-F266 AromaticContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CZ 4.02Å; W217-F266 HydrophobicContact CZ3-CB 4.47Å; W217-F266 AromaticContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CE2 4.32Å; W217-F266 HydrophobicContact CZ3-CG 4.18Å; L224-F266 HydrophobicContact CD1-CD2 4.27Å; L224-F266 HydrophobicContact CD1-CE2 4.48Å; A261-F266 CarbonylContact C-O 3.55Å; A261-F266 VanDerWaalsContact C-O 3.32Å; A261-F266 HydrophobicContact CB-CB 4.22Å; A261-F266 WeakPolarHBondContact O-CA 3.37Å; A261-F266 WeakPolarHBondContact O-CB 3.35Å; A261-F266 PolarHBondContact O-N 3.09Å; A261-F266 VanDerWaalsContact O-O 3.13Å; S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 PolarHBondContact O-N 3.2Å | ||
| 267 | I | 93.1 | Very high | 90.9 | Very high | 90 Ų | 90 | 66 Ų | 66 | 46% | 0.462 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.1 | -177.4 | -60.6 | 167.2 | 0 | 0 | 0 | 107.8 | Q183 V207 V208 | Q183-I267 VanDerWaalsContact NE2-CD1 3.31Å; Q183-I267 VanDerWaalsContact OE1-CG2 3.25Å; V207-I267 CarbonylContact C-O 3.56Å; V207-I267 WeakPolarHBondContact CA-O 3.41Å; V208-I267 HydrophobicContact CB-CB 4.4Å; V208-I267 PolarHBondContact N-O 3.34Å; V208-I267 PolarHBondContact O-N 2.74Å |
| 268 | V | 94.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 72.6 Ų | 72.6 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.4 | 174 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | L205 L206 V207 F257 K258 A261 | L205-V268 HydrophobicContact CB-CG1 4.06Å; L205-V268 HydrophobicContact CD1-CG1 4.07Å; L205-V268 HydrophobicContact CG-CG1 4.44Å; L206-V268 CarbonylContact O-C 3.32Å; L206-V268 WeakPolarHBondContact O-CA 3.48Å; V207-V268 HydrophobicContact CG2-CG2 4.18Å; F257-V268 HydrophobicContact CD1-CG2 4.45Å; F257-V268 HydrophobicContact CE1-CG2 4.34Å; K258-V268 HydrophobicContact CD-CG1 4.44Å; K258-V268 HydrophobicContact CG-CB 4.05Å; K258-V268 HydrophobicContact CG-CG1 3.99Å; K258-V268 HydrophobicContact CG-CG2 4.1Å; A261-V268 HydrophobicContact CB-CG2 3.7Å |
| 269 | R | 89.9 | Confident | 90 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.6 | -179.7 | -178.8 | 176.5 | 174.8 | 179.3 | -2.9 | 109.6 | L182 Q183 T184 R185 L206 V208 | L182-R269 PolarHBondContact O-NH1 2.87Å; Q183-R269 WeakPolarHBondContact O-CD 3.47Å; Q183-R269 PolarHBondContact O-NE 2.91Å; T184-R269 PolarHBondContact O-NH2 3.48Å; R185-R269 PolarHBondContact O-NH1 3.36Å; R185-R269 PolarHBondContact O-NH2 2.73Å; L206-R269 HydrophobicContact CB-CB 4.32Å; L206-R269 PolarHBondContact O-N 3.33Å; V208-R269 HydrophobicContact CG2-CB 4.34Å |
| 270 | D | 84.7 | Confident | 89.5 | Confident | 119 Ų | 119 | 75.5 Ų | 75.5 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 130.5 | 170.2 | -71.5 | -42.5 | 0 | 0 | 0 | 109.6 | K258 | K258-D270 IonicContact NZ-OD1 2.73Å; K258-D270 PolarHBondContact NZ-OD1 2.96Å; K258-D270 IonicContact NZ-OD2 3.14Å; K258-D270 PolarHBondContact NZ-OD2 3.1Å |
| 271 | Y | 86.3 | Confident | 89.2 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | trans | -143.9 | 135.1 | -178.8 | -177.7 | -87.1 | 0 | 0 | 0 | 110.2 | L187 N188 L191 L196 L206 F273 | L187-Y271 HydrophobicContact CB-CE2 3.89Å; L187-Y271 HydrophobicContact CD1-CD2 4.14Å; L187-Y271 HydrophobicContact CD1-CE2 4.34Å; L187-Y271 HydrophobicContact CG-CE2 4.43Å; N188-Y271 PolarHBondContact OD1-OH 2.88Å; L191-Y271 HydrophobicContact CD2-CD1 3.69Å; L191-Y271 HydrophobicContact CD2-CE1 3.3Å; L191-Y271 HydrophobicContact CD2-CE2 4.34Å; L191-Y271 HydrophobicContact CD2-CG 4.35Å; L196-Y271 HydrophobicContact CD1-CD1 3.83Å; L196-Y271 HydrophobicContact CD1-CE1 4.02Å; L206-Y271 HydrophobicContact CD1-CD1 4.2Å; L206-Y271 HydrophobicContact CD1-CD2 4.05Å; L206-Y271 HydrophobicContact CD1-CG 3.65Å; Y271-F273 AromaticContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD2 4.19Å; Y271-F273 AromaticContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE2 4.19Å; Y271-F273 HydrophobicContact CE1-CG 4.08Å; Y271-F273 HydrophobicContact CE1-CZ 4.04Å; Y271-F273 WeakPolarHBondContact OH-CD1 3.12Å; Y271-F273 VanDerWaalsContact OH-CE1 3.26Å; Y271-F273 WeakPolarHBondContact OH-CE1 3.46Å | ||
| 272 | S | 84.1 | Confident | 89 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | trans | -144.9 | 131.4 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 108.7 | D274 E275 E276 | S272-D274 PolarHBondContact O-N 2.92Å; S272-D274 PolarHBondContact OG-N 2.66Å; S272-E275 PolarHBondContact O-N 2.7Å; S272-E276 PolarHBondContact O-N 2.8Å; S272-E276 VanDerWaalsContact O-N 3.15Å | ||
| 273 | F | 84.2 | Confident | 88.7 | Confident | 45 Ų | 45 | 75 Ų | 75 | 20% | 0.197 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.8 | -37 | 175.2 | -74.5 | -70.5 | 0 | 0 | 0 | 111.5 | L191 K193 L196 Y271 E275 E276 E277 | L191-F273 HydrophobicContact CD2-CZ 4.05Å; L191-F273 HydrophobicContact CG-CZ 4.17Å; K193-F273 HydrophobicContact CB-CE2 4.38Å; K193-F273 HydrophobicContact CG-CD2 4.22Å; K193-F273 HydrophobicContact CG-CE1 4.4Å; K193-F273 HydrophobicContact CG-CE2 3.95Å; K193-F273 HydrophobicContact CG-CZ 4.07Å; L196-F273 HydrophobicContact CB-CE2 4.45Å; L196-F273 HydrophobicContact CD1-CD2 4.02Å; L196-F273 HydrophobicContact CD1-CE2 3.43Å; L196-F273 VanDerWaalsContact CD1-CE2 3.43Å; L196-F273 HydrophobicContact CD1-CZ 4.13Å; L196-F273 HydrophobicContact CG-CE2 4.06Å; Y271-F273 AromaticContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD2 4.19Å; Y271-F273 AromaticContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE2 4.19Å; Y271-F273 HydrophobicContact CE1-CG 4.08Å; Y271-F273 HydrophobicContact CE1-CZ 4.04Å; Y271-F273 WeakPolarHBondContact OH-CD1 3.12Å; Y271-F273 VanDerWaalsContact OH-CE1 3.26Å; Y271-F273 WeakPolarHBondContact OH-CE1 3.46Å; F273-E275 PolarHBondContact O-N 3.21Å; F273-E276 PolarHBondContact O-N 3.48Å; F273-E277 WeakPolarHBondContact O-CB 3.18Å; F273-E277 PolarHBondContact O-N 3.09Å |
| 274 | D | 85.2 | Confident | 88.6 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.8 | -33.1 | -179.6 | -58 | -23.3 | 0 | 0 | 0 | 112.5 | S272 R278 | S272-D274 PolarHBondContact O-N 2.92Å; S272-D274 PolarHBondContact OG-N 2.66Å; D274-R278 WeakPolarHBondContact O-CB 3.45Å; D274-R278 VanDerWaalsContact O-CG 3.24Å; D274-R278 WeakPolarHBondContact O-CG 3.41Å; D274-R278 PolarHBondContact O-N 3.12Å; D274-R278 PolarHBondContact O-NE 3.12Å |
| 275 | E | 85.1 | Confident | 88.6 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.3 | -42.9 | 173.3 | -68.2 | -110.2 | 124.1 | 0 | 0 | 110.9 | S272 F273 R278 K279 | S272-E275 PolarHBondContact O-N 2.7Å; F273-E275 PolarHBondContact O-N 3.21Å; E275-R278 VanDerWaalsContact CG-NH2 3.31Å; E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 IonicContact OE1-CZ 3.74Å; E275-R278 IonicContact OE1-NH2 2.74Å; E275-R278 PolarHBondContact OE1-NH2 3.42Å; E275-K279 WeakPolarHBondContact O-CG 3.05Å; E275-K279 PolarHBondContact O-N 3Å |
| 276 | E | 83.5 | Confident | 88.5 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.1 | -38.4 | -176.1 | -160.9 | 65.2 | -166.8 | 0 | 0 | 112 | S186 N188 S272 F273 K279 Q280 | S186-E276 VanDerWaalsContact CB-OE1 3.22Å; S186-E276 WeakPolarHBondContact CB-OE1 3.38Å; S186-E276 PolarHBondContact OG-OE1 2.74Å; N188-E276 VanDerWaalsContact CG-CG 3.47Å; N188-E276 WeakPolarHBondContact ND2-CG 3.44Å; N188-E276 VanDerWaalsContact OD1-CG 3.27Å; N188-E276 WeakPolarHBondContact OD1-CG 3.27Å; S272-E276 PolarHBondContact O-N 2.8Å; S272-E276 VanDerWaalsContact O-N 3.15Å; F273-E276 PolarHBondContact O-N 3.48Å; E276-K279 PolarHBondContact O-N 3.49Å; E276-K279 IonicContact OE2-NZ 3.37Å; E276-K279 PolarHBondContact OE2-NZ 2.66Å; E276-Q280 WeakPolarHBondContact O-CG 3.5Å; E276-Q280 PolarHBondContact O-N 3.38Å |
| 277 | E | 86.1 | Confident | 88.4 | Confident | 98 Ų | 98 | 78 Ų | 78 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 172.1 | -172.7 | 173.4 | 179.4 | 0 | 0 | 111.2 | F273 K279 Q280 Q281 | F273-E277 WeakPolarHBondContact O-CB 3.18Å; F273-E277 PolarHBondContact O-N 3.09Å; E277-K279 PolarHBondContact O-N 3.37Å; E277-Q280 PolarHBondContact O-N 3.03Å; E277-Q281 WeakPolarHBondContact O-CB 3.35Å; E277-Q281 VanDerWaalsContact O-CG 3.3Å; E277-Q281 WeakPolarHBondContact O-CG 3.3Å; E277-Q281 PolarHBondContact O-N 3.29Å |
| 278 | R | 87.7 | Confident | 88.4 | Confident | 138 Ų | 138 | 77.3 Ų | 77.3 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.8 | -80.4 | -176.5 | -69.1 | 154.3 | 0.9 | 112.2 | D274 E275 Q281 E282 | D274-R278 WeakPolarHBondContact O-CB 3.45Å; D274-R278 VanDerWaalsContact O-CG 3.24Å; D274-R278 WeakPolarHBondContact O-CG 3.41Å; D274-R278 PolarHBondContact O-N 3.12Å; D274-R278 PolarHBondContact O-NE 3.12Å; E275-R278 VanDerWaalsContact CG-NH2 3.31Å; E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 IonicContact OE1-CZ 3.74Å; E275-R278 IonicContact OE1-NH2 2.74Å; E275-R278 PolarHBondContact OE1-NH2 3.42Å; R278-Q281 PolarHBondContact O-N 3.33Å; R278-E282 WeakPolarHBondContact O-CB 3.21Å; R278-E282 PolarHBondContact O-N 3.41Å |
| 279 | K | 85.4 | Confident | 88.3 | Confident | 85 Ų | 85 | 79.9 Ų | 79.9 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.8 | -71.2 | 174 | -167.6 | 166.4 | 0 | 112 | E275 E276 E277 E282 I283 | E275-K279 WeakPolarHBondContact O-CG 3.05Å; E275-K279 PolarHBondContact O-N 3Å; E276-K279 PolarHBondContact O-N 3.49Å; E276-K279 IonicContact OE2-NZ 3.37Å; E276-K279 PolarHBondContact OE2-NZ 2.66Å; E277-K279 PolarHBondContact O-N 3.37Å; K279-E282 PolarHBondContact O-N 2.97Å; K279-I283 WeakPolarHBondContact O-CG1 3.35Å; K279-I283 PolarHBondContact O-N 3.12Å |
| 280 | Q | 86.6 | Confident | 88.5 | Confident | 84 Ų | 84 | 81 Ų | 81 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.4 | -74.7 | -172.4 | -23.6 | 0 | 0 | 112.1 | N188 E276 E277 E282 I283 M284 | N188-Q280 PolarHBondContact ND2-NE2 3.19Å; N188-Q280 PolarHBondContact ND2-OE1 3.32Å; E276-Q280 WeakPolarHBondContact O-CG 3.5Å; E276-Q280 PolarHBondContact O-N 3.38Å; E277-Q280 PolarHBondContact O-N 3.03Å; Q280-E282 VanDerWaalsContact C-N 3.3Å; Q280-E282 PolarHBondContact O-N 3.19Å; Q280-I283 PolarHBondContact O-N 3.48Å; Q280-M284 WeakPolarHBondContact O-CB 3.36Å; Q280-M284 PolarHBondContact O-N 2.93Å |
| 281 | Q | 90.2 | Very high | 88.8 | Confident | 110 Ų | 110 | 83.1 Ų | 83.1 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 173.6 | -72.1 | 175.9 | 4.1 | 0 | 0 | 111.4 | E277 R278 M284 K285 | E277-Q281 WeakPolarHBondContact O-CB 3.35Å; E277-Q281 VanDerWaalsContact O-CG 3.3Å; E277-Q281 WeakPolarHBondContact O-CG 3.3Å; E277-Q281 PolarHBondContact O-N 3.29Å; R278-Q281 PolarHBondContact O-N 3.33Å; Q281-M284 PolarHBondContact O-N 3.12Å; Q281-K285 VanDerWaalsContact O-CB 3.27Å; Q281-K285 WeakPolarHBondContact O-CB 3.3Å; Q281-K285 PolarHBondContact O-N 2.77Å |
| 282 | E | 90.6 | Very high | 89 | Confident | 101 Ų | 101 | 85.5 Ų | 85.5 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 176.1 | -173.6 | 171 | -162.6 | 0 | 0 | 112.2 | L174 R278 K279 Q280 M284 K285 L286 | L174-E282 HydrophobicContact CD1-CG 4.08Å; R278-E282 WeakPolarHBondContact O-CB 3.21Å; R278-E282 PolarHBondContact O-N 3.41Å; K279-E282 PolarHBondContact O-N 2.97Å; Q280-E282 VanDerWaalsContact C-N 3.3Å; Q280-E282 PolarHBondContact O-N 3.19Å; E282-M284 PolarHBondContact O-N 3.15Å; E282-K285 PolarHBondContact O-N 2.83Å; E282-L286 HydrophobicContact CG-CD1 3.97Å; E282-L286 HydrophobicContact CG-CG 4.41Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.32Å; E282-L286 WeakPolarHBondContact O-CG 3.36Å; E282-L286 PolarHBondContact O-N 2.87Å |
| 283 | I | 89.9 | Confident | 89.4 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.5 | -69.7 | 170.7 | 0 | 0 | 0 | 110.5 | L174 L178 K279 Q280 K285 L286 S287 | L174-I283 HydrophobicContact CB-CD1 4.04Å; L174-I283 HydrophobicContact CB-CG1 3.7Å; L174-I283 HydrophobicContact CD1-CG1 4.18Å; L178-I283 HydrophobicContact CD1-CD1 3.8Å; L178-I283 HydrophobicContact CD2-CD1 4.06Å; L178-I283 HydrophobicContact CG-CD1 3.95Å; K279-I283 WeakPolarHBondContact O-CG1 3.35Å; K279-I283 PolarHBondContact O-N 3.12Å; Q280-I283 PolarHBondContact O-N 3.48Å; I283-K285 PolarHBondContact O-N 3.18Å; I283-L286 PolarHBondContact O-N 3.42Å; I283-S287 WeakPolarHBondContact O-CB 3.48Å; I283-S287 PolarHBondContact O-N 3.48Å |
| 284 | M | 91.3 | Very high | 89.9 | Confident | 138 Ų | 138 | 88.6 Ų | 88.6 | 68% | 0.68 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.1 | -45.9 | 178 | -173.7 | 179.2 | -179 | 0 | 0 | 111.3 | Q280 Q281 E282 S287 V288 | Q280-M284 WeakPolarHBondContact O-CB 3.36Å; Q280-M284 PolarHBondContact O-N 2.93Å; Q281-M284 PolarHBondContact O-N 3.12Å; E282-M284 PolarHBondContact O-N 3.15Å; M284-S287 PolarHBondContact O-N 2.99Å; M284-V288 WeakPolarHBondContact O-CG2 3.32Å; M284-V288 PolarHBondContact O-N 3.33Å |
| 285 | K | 93.5 | Very high | 90.2 | Very high | 162 Ų | 162 | 84.9 Ų | 84.9 | 70% | 0.704 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 177.3 | -178.1 | -178.8 | 177.1 | -176.6 | 0 | 111.8 | Q281 E282 I283 S287 H289 | Q281-K285 VanDerWaalsContact O-CB 3.27Å; Q281-K285 WeakPolarHBondContact O-CB 3.3Å; Q281-K285 PolarHBondContact O-N 2.77Å; E282-K285 PolarHBondContact O-N 2.83Å; I283-K285 PolarHBondContact O-N 3.18Å; K285-S287 VanDerWaalsContact C-N 3.34Å; K285-H289 WeakPolarHBondContact O-CB 3.36Å; K285-H289 PolarHBondContact O-N 3.36Å |
| 286 | L | 92.7 | Very high | 90.6 | Very high | 31 Ų | 31 | 84.1 Ų | 84.1 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 178.7 | -70.4 | 172.9 | 0 | 0 | 0 | 112 | L167 L171 L174 E282 I283 H289 K290 | L167-L286 HydrophobicContact CD1-CB 4.49Å; L167-L286 HydrophobicContact CD1-CD2 3.6Å; L171-L286 HydrophobicContact CD1-CB 4.12Å; L174-L286 HydrophobicContact CD1-CD1 3.52Å; E282-L286 HydrophobicContact CG-CD1 3.97Å; E282-L286 HydrophobicContact CG-CG 4.41Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.32Å; E282-L286 WeakPolarHBondContact O-CG 3.36Å; E282-L286 PolarHBondContact O-N 2.87Å; I283-L286 PolarHBondContact O-N 3.42Å; L286-H289 PolarHBondContact O-N 3.16Å; L286-K290 VanDerWaalsContact O-CB 3.25Å; L286-K290 WeakPolarHBondContact O-CB 3.46Å; L286-K290 PolarHBondContact O-N 3.38Å |
| 287 | S | 91.6 | Very high | 91.2 | Very high | 58 Ų | 58 | 83.8 Ų | 83.8 | 41% | 0.406 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | L171 I283 M284 K285 K290 K291 | L171-S287 VanDerWaalsContact CD1-CA 3.5Å; I283-S287 WeakPolarHBondContact O-CB 3.48Å; I283-S287 PolarHBondContact O-N 3.48Å; M284-S287 PolarHBondContact O-N 2.99Å; K285-S287 VanDerWaalsContact C-N 3.34Å; S287-K290 PolarHBondContact O-N 3.28Å; S287-K291 PolarHBondContact O-N 3.39Å |
| 288 | V | 93.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 79.7 Ų | 79.7 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 173 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | M284 K290 K291 D292 | M284-V288 WeakPolarHBondContact O-CG2 3.32Å; M284-V288 PolarHBondContact O-N 3.33Å; V288-K290 VanDerWaalsContact C-N 3.31Å; V288-K290 PolarHBondContact O-N 3.16Å; V288-K291 WeakPolarHBondContact O-CB 3.22Å; V288-K291 PolarHBondContact O-N 3.39Å; V288-K291 VanDerWaalsContact O-N 3.13Å; V288-D292 PolarHBondContact O-N 3.32Å |
| 289 | H | 92.2 | Very high | 92 | Very high | 82 Ų | 82 | 81.4 Ų | 81.4 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 178.6 | -174.3 | -143 | 0 | 0 | 0 | 112.4 | L167 K285 L286 D292 Q293 | L167-H289 HydrophobicContact CD2-CB 4.46Å; K285-H289 WeakPolarHBondContact O-CB 3.36Å; K285-H289 PolarHBondContact O-N 3.36Å; L286-H289 PolarHBondContact O-N 3.16Å; H289-D292 PolarHBondContact O-N 3.46Å; H289-Q293 WeakPolarHBondContact NE2-CG 3.42Å; H289-Q293 PolarHBondContact NE2-NE2 2.96Å; H289-Q293 WeakPolarHBondContact O-CB 3.46Å; H289-Q293 VanDerWaalsContact O-CG 3.27Å; H289-Q293 WeakPolarHBondContact O-CG 3.31Å; H289-Q293 PolarHBondContact O-N 3.04Å |
| 290 | K | 93.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 78.7 Ų | 78.7 | 19% | 0.187 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 175.8 | 178.3 | -177.4 | 171.5 | -177.3 | 0 | 111.4 | L167 L171 L286 S287 V288 Q293 Y294 | L167-K290 HydrophobicContact CD2-CB 4.06Å; L167-K290 HydrophobicContact CG-CB 4.26Å; L171-K290 HydrophobicContact CD1-CD 4.08Å; L171-K290 HydrophobicContact CD2-CD 4.15Å; L286-K290 VanDerWaalsContact O-CB 3.25Å; L286-K290 WeakPolarHBondContact O-CB 3.46Å; L286-K290 PolarHBondContact O-N 3.38Å; S287-K290 PolarHBondContact O-N 3.28Å; V288-K290 VanDerWaalsContact C-N 3.31Å; V288-K290 PolarHBondContact O-N 3.16Å; K290-Q293 PolarHBondContact O-N 3Å; K290-Y294 VanDerWaalsContact O-CB 3.26Å; K290-Y294 WeakPolarHBondContact O-CB 3.24Å; K290-Y294 PolarHBondContact O-N 2.91Å |
| 291 | K | 91.5 | Very high | 93 | Very high | 164 Ų | 164 | 74.7 Ų | 74.7 | 71% | 0.713 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 178 | -173 | 176 | 179.6 | 176.3 | 0 | 111.9 | S287 V288 Y294 G295 | S287-K291 PolarHBondContact O-N 3.39Å; V288-K291 WeakPolarHBondContact O-CB 3.22Å; V288-K291 PolarHBondContact O-N 3.39Å; V288-K291 VanDerWaalsContact O-N 3.13Å; K291-Y294 WeakPolarHBondContact O-CB 3.49Å; K291-Y294 PolarHBondContact O-N 2.91Å; K291-G295 PolarHBondContact O-N 2.89Å |
| 292 | D | 91.3 | Very high | 93.2 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.4 | -48.1 | 177 | -69.8 | -17.2 | 0 | 0 | 0 | 111.4 | V288 H289 Y294 G295 I296 | V288-D292 PolarHBondContact O-N 3.32Å; H289-D292 PolarHBondContact O-N 3.46Å; D292-Y294 VanDerWaalsContact C-N 3.3Å; D292-Y294 PolarHBondContact O-N 3.39Å; D292-G295 PolarHBondContact O-N 3.47Å; D292-I296 WeakPolarHBondContact O-CG1 3.39Å; D292-I296 PolarHBondContact O-N 3.14Å |
| 293 | Q | 92.8 | Very high | 93.4 | Very high | 69 Ų | 69 | 71.5 Ų | 71.5 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 177.8 | -70.1 | -58.5 | -31.2 | 0 | 0 | 112.2 | Y164 L167 H289 K290 G295 I296 F297 | Y164-Q293 HydrophobicContact CD2-CB 4.33Å; L167-Q293 HydrophobicContact CD2-CB 4.24Å; L167-Q293 HydrophobicContact CD2-CG 4.02Å; H289-Q293 WeakPolarHBondContact NE2-CG 3.42Å; H289-Q293 PolarHBondContact NE2-NE2 2.96Å; H289-Q293 WeakPolarHBondContact O-CB 3.46Å; H289-Q293 VanDerWaalsContact O-CG 3.27Å; H289-Q293 WeakPolarHBondContact O-CG 3.31Å; H289-Q293 PolarHBondContact O-N 3.04Å; K290-Q293 PolarHBondContact O-N 3Å; Q293-G295 PolarHBondContact O-N 3.4Å; Q293-I296 PolarHBondContact O-N 3.39Å; Q293-F297 WeakPolarHBondContact O-CB 3.45Å; Q293-F297 PolarHBondContact O-N 2.76Å |
| 294 | Y | 93.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 71.2 Ų | 71.2 | 34% | 0.341 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.6 | -52.2 | 175.1 | 169.3 | -95.5 | 0 | 0 | 0 | 111.5 | V78 K290 K291 D292 I296 F297 V298 | V78-Y294 HydrophobicContact CG1-CD2 3.69Å; V78-Y294 HydrophobicContact CG1-CE2 3.73Å; V78-Y294 WeakPolarHBondContact O-CE2 3.33Å; K290-Y294 VanDerWaalsContact O-CB 3.26Å; K290-Y294 WeakPolarHBondContact O-CB 3.24Å; K290-Y294 PolarHBondContact O-N 2.91Å; K291-Y294 WeakPolarHBondContact O-CB 3.49Å; K291-Y294 PolarHBondContact O-N 2.91Å; D292-Y294 VanDerWaalsContact C-N 3.3Å; D292-Y294 PolarHBondContact O-N 3.39Å; Y294-I296 PolarHBondContact O-N 3.01Å; Y294-F297 PolarHBondContact O-N 3.17Å; Y294-V298 HydrophobicContact CD2-CG2 3.97Å; Y294-V298 HydrophobicContact CE1-CG2 4.3Å; Y294-V298 HydrophobicContact CE2-CG2 3.65Å; Y294-V298 HydrophobicContact CG-CG2 4.44Å; Y294-V298 WeakPolarHBondContact O-CB 3.21Å; Y294-V298 VanDerWaalsContact O-CG2 3.31Å; Y294-V298 WeakPolarHBondContact O-CG2 3.43Å; Y294-V298 PolarHBondContact O-N 3.16Å |
| 295 | G | 91.8 | Very high | 94 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K291 D292 Q293 R299 | K291-G295 PolarHBondContact O-N 2.89Å; D292-G295 PolarHBondContact O-N 3.47Å; Q293-G295 PolarHBondContact O-N 3.4Å; G295-R299 WeakPolarHBondContact O-CB 3.5Å; G295-R299 PolarHBondContact O-N 3.17Å; G295-R299 VanDerWaalsContact O-N 3.15Å |
| 296 | I | 94.3 | Very high | 94 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 42% | 0.415 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 177.5 | -64.6 | 166.9 | 0 | 0 | 0 | 110.4 | D292 Q293 Y294 R299 W300 | D292-I296 WeakPolarHBondContact O-CG1 3.39Å; D292-I296 PolarHBondContact O-N 3.14Å; Q293-I296 PolarHBondContact O-N 3.39Å; Y294-I296 PolarHBondContact O-N 3.01Å; I296-R299 PolarHBondContact O-N 2.74Å; I296-W300 WeakPolarHBondContact O-CB 3.44Å; I296-W300 PolarHBondContact O-N 2.95Å |
| 297 | F | 95.8 | Very high | 94 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70 | -44.4 | -174.8 | -173.8 | -144.7 | 0 | 0 | 0 | 112 | C74 V78 R160 A161 Y164 Q293 Y294 R299 W300 L301 | C74-F297 VanDerWaalsContact SG-CZ 3.59Å; V78-F297 HydrophobicContact CG1-CD1 4.44Å; V78-F297 HydrophobicContact CG2-CD1 4.05Å; V78-F297 HydrophobicContact CG2-CE1 3.77Å; R160-F297 HydrophobicContact CB-CD2 3.8Å; R160-F297 HydrophobicContact CB-CE2 3.51Å; R160-F297 HydrophobicContact CB-CZ 4.27Å; A161-F297 HydrophobicContact CB-CZ 4.07Å; Y164-F297 HydrophobicContact CD1-CD1 4.17Å; Y164-F297 HydrophobicContact CD1-CE1 4.28Å; Y164-F297 HydrophobicContact CD2-CD1 4.2Å; Y164-F297 AromaticContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CE1 4.2Å; Q293-F297 WeakPolarHBondContact O-CB 3.45Å; Q293-F297 PolarHBondContact O-N 2.76Å; Y294-F297 PolarHBondContact O-N 3.17Å; F297-R299 VanDerWaalsContact C-N 3.33Å; F297-R299 PolarHBondContact O-N 3.08Å; F297-W300 HydrophobicContact CD2-CE3 4.42Å; F297-W300 HydrophobicContact CE2-CE3 4.23Å; F297-W300 PolarHBondContact O-N 3.45Å; F297-L301 HydrophobicContact CD1-CD1 4.18Å; F297-L301 HydrophobicContact CD2-CD1 4.23Å; F297-L301 HydrophobicContact CD2-CG 4.06Å; F297-L301 HydrophobicContact CE1-CD1 4Å; F297-L301 HydrophobicContact CE2-CD1 4.04Å; F297-L301 HydrophobicContact CE2-CD2 3.92Å; F297-L301 HydrophobicContact CE2-CG 3.81Å; F297-L301 HydrophobicContact CG-CD1 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.92Å; F297-L301 HydrophobicContact CZ-CD2 4.1Å; F297-L301 HydrophobicContact CZ-CG 4.14Å; F297-L301 WeakPolarHBondContact O-CG 3.35Å; F297-L301 PolarHBondContact O-N 3.42Å |
| 298 | V | 94.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L75 V78 M79 Y294 W300 L301 K302 | L75-V298 HydrophobicContact CD1-CG1 4.4Å; V78-V298 HydrophobicContact CG1-CG2 3.58Å; M79-V298 HydrophobicContact CG-CG1 4.09Å; M79-V298 HydrophobicContact CG-CG2 3.95Å; M79-V298 HydrophobicContact SD-CG1 3.81Å; Y294-V298 HydrophobicContact CD2-CG2 3.97Å; Y294-V298 HydrophobicContact CE1-CG2 4.3Å; Y294-V298 HydrophobicContact CE2-CG2 3.65Å; Y294-V298 HydrophobicContact CG-CG2 4.44Å; Y294-V298 WeakPolarHBondContact O-CB 3.21Å; Y294-V298 VanDerWaalsContact O-CG2 3.31Å; Y294-V298 WeakPolarHBondContact O-CG2 3.43Å; Y294-V298 PolarHBondContact O-N 3.16Å; V298-W300 VanDerWaalsContact C-N 3.32Å; V298-W300 PolarHBondContact O-N 2.93Å; V298-L301 PolarHBondContact O-N 3.19Å; V298-K302 HydrophobicContact CG1-CD 4.13Å; V298-K302 HydrophobicContact CG1-CG 4.4Å; V298-K302 VanDerWaalsContact O-CG 3.26Å; V298-K302 WeakPolarHBondContact O-CG 3.43Å; V298-K302 PolarHBondContact O-N 3.31Å |
| 299 | R | 94.8 | Very high | 94.4 | Very high | 175 Ų | 175 | 54 Ų | 54 | 66% | 0.66 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 176.7 | -175.5 | 178.7 | -65.7 | 133.1 | 0.9 | 111.4 | G295 I296 F297 K302 V303 | G295-R299 WeakPolarHBondContact O-CB 3.5Å; G295-R299 PolarHBondContact O-N 3.17Å; G295-R299 VanDerWaalsContact O-N 3.15Å; I296-R299 PolarHBondContact O-N 2.74Å; F297-R299 VanDerWaalsContact C-N 3.33Å; F297-R299 PolarHBondContact O-N 3.08Å; R299-K302 PolarHBondContact O-N 3.35Å; R299-V303 WeakPolarHBondContact O-CG2 3.38Å; R299-V303 PolarHBondContact O-N 3.22Å |
| 300 | W | 97.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 177.4 | -175.5 | 94.3 | 0 | 0 | 0 | 111.5 | V153 E156 L157 I296 F297 V298 K302 V303 N304 | V153-W300 HydrophobicContact CG1-CH2 3.99Å; V153-W300 HydrophobicContact CG1-CZ2 4.42Å; E156-W300 HydrophobicContact CB-CH2 3.96Å; E156-W300 HydrophobicContact CB-CZ2 3.38Å; E156-W300 HydrophobicContact CG-CZ2 4.41Å; E156-W300 WeakPolarHBondContact OE2-CZ2 3.33Å; E156-W300 PolarHBondContact OE2-NE1 3.4Å; L157-W300 HydrophobicContact CB-CH2 3.81Å; L157-W300 HydrophobicContact CB-CZ3 3.99Å; L157-W300 HydrophobicContact CD1-CZ3 3.95Å; I296-W300 WeakPolarHBondContact O-CB 3.44Å; I296-W300 PolarHBondContact O-N 2.95Å; F297-W300 HydrophobicContact CD2-CE3 4.42Å; F297-W300 HydrophobicContact CE2-CE3 4.23Å; F297-W300 PolarHBondContact O-N 3.45Å; V298-W300 VanDerWaalsContact C-N 3.32Å; V298-W300 PolarHBondContact O-N 2.93Å; W300-K302 VanDerWaalsContact C-N 3.34Å; W300-K302 PolarHBondContact O-N 3.02Å; W300-V303 PolarHBondContact O-N 3.45Å; W300-N304 VanDerWaalsContact CD2-ND2 3.26Å; W300-N304 HydrophobicContact CE3-CB 4.46Å; W300-N304 HydrophobicContact CH2-CB 4.14Å; W300-N304 HydrophobicContact CZ2-CB 4.21Å; W300-N304 HydrophobicContact CZ3-CB 4.29Å; W300-N304 PolarHBondContact NE1-ND2 3.01Å; W300-N304 VanDerWaalsContact NE1-ND2 3.18Å; W300-N304 WeakPolarHBondContact O-CB 3.27Å; W300-N304 PolarHBondContact O-N 2.92Å; W300-N304 PolarHBondContact O-ND2 2.94Å |
| 301 | L | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.8 | -73.1 | 167.6 | 0 | 0 | 0 | 111.9 | T71 C74 L75 V78 L157 F297 V298 F305 | T71-L301 HydrophobicContact CG2-CD2 3.98Å; C74-L301 HydrophobicContact CB-CD2 4.34Å; L75-L301 HydrophobicContact CB-CD1 4.46Å; L75-L301 HydrophobicContact CD1-CB 3.79Å; L75-L301 HydrophobicContact CD1-CD1 4.12Å; V78-L301 HydrophobicContact CG2-CD1 4.46Å; L157-L301 HydrophobicContact CD1-CD2 3.51Å; F297-L301 HydrophobicContact CD1-CD1 4.18Å; F297-L301 HydrophobicContact CD2-CD1 4.23Å; F297-L301 HydrophobicContact CD2-CG 4.06Å; F297-L301 HydrophobicContact CE1-CD1 4Å; F297-L301 HydrophobicContact CE2-CD1 4.04Å; F297-L301 HydrophobicContact CE2-CD2 3.92Å; F297-L301 HydrophobicContact CE2-CG 3.81Å; F297-L301 HydrophobicContact CG-CD1 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.92Å; F297-L301 HydrophobicContact CZ-CD2 4.1Å; F297-L301 HydrophobicContact CZ-CG 4.14Å; F297-L301 WeakPolarHBondContact O-CG 3.35Å; F297-L301 PolarHBondContact O-N 3.42Å; V298-L301 PolarHBondContact O-N 3.19Å; L301-F305 WeakPolarHBondContact O-CB 3.2Å; L301-F305 PolarHBondContact O-N 2.86Å |
| 302 | K | 94.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 27% | 0.265 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -46.2 | -179.7 | -68.6 | -177.4 | 171.3 | -176.5 | 0 | 112.8 | L75 Y111 V298 R299 W300 T306 | L75-K302 HydrophobicContact CD1-CG 4.13Å; Y111-K302 HydrophobicContact CD2-CD 3.98Å; Y111-K302 HydrophobicContact CE1-CD 4.22Å; Y111-K302 HydrophobicContact CE1-CG 3.87Å; Y111-K302 HydrophobicContact CE2-CB 4.36Å; Y111-K302 HydrophobicContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CE 3.5Å; Y111-K302 HydrophobicContact CE2-CG 3.81Å; Y111-K302 VanDerWaalsContact OH-CB 3.27Å; Y111-K302 WeakPolarHBondContact OH-CB 3.21Å; Y111-K302 VanDerWaalsContact OH-CG 3.26Å; Y111-K302 WeakPolarHBondContact OH-CG 3.38Å; V298-K302 HydrophobicContact CG1-CD 4.13Å; V298-K302 HydrophobicContact CG1-CG 4.4Å; V298-K302 VanDerWaalsContact O-CG 3.26Å; V298-K302 WeakPolarHBondContact O-CG 3.43Å; V298-K302 PolarHBondContact O-N 3.31Å; R299-K302 PolarHBondContact O-N 3.35Å; W300-K302 VanDerWaalsContact C-N 3.34Å; W300-K302 PolarHBondContact O-N 3.02Å; K302-T306 PolarHBondContact O-N 3.45Å; K302-T306 PolarHBondContact O-OG1 2.86Å |
| 303 | V | 95.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.4 | -51.2 | 178.5 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | R299 W300 F305 T306 Q307 | R299-V303 WeakPolarHBondContact O-CG2 3.38Å; R299-V303 PolarHBondContact O-N 3.22Å; W300-V303 PolarHBondContact O-N 3.45Å; V303-F305 PolarHBondContact O-N 3Å; V303-T306 PolarHBondContact O-N 3.46Å; V303-Q307 WeakPolarHBondContact O-CB 3.07Å; V303-Q307 PolarHBondContact O-N 2.6Å |
| 304 | N | 96.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 8% | 0.08 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.6 | -34.1 | -174.5 | -75.3 | -84.1 | 0 | 0 | 0 | 112.7 | V153 W300 T306 Q307 V308 | V153-N304 HydrophobicContact CG1-CB 3.88Å; V153-N304 WeakPolarHBondContact CG2-OD1 3.49Å; W300-N304 VanDerWaalsContact CD2-ND2 3.26Å; W300-N304 HydrophobicContact CE3-CB 4.46Å; W300-N304 HydrophobicContact CH2-CB 4.14Å; W300-N304 HydrophobicContact CZ2-CB 4.21Å; W300-N304 HydrophobicContact CZ3-CB 4.29Å; W300-N304 PolarHBondContact NE1-ND2 3.01Å; W300-N304 VanDerWaalsContact NE1-ND2 3.18Å; W300-N304 WeakPolarHBondContact O-CB 3.27Å; W300-N304 PolarHBondContact O-N 2.92Å; W300-N304 PolarHBondContact O-ND2 2.94Å; N304-T306 VanDerWaalsContact C-N 3.34Å; N304-T306 PolarHBondContact O-N 2.91Å; N304-Q307 PolarHBondContact O-N 3.36Å; N304-V308 WeakPolarHBondContact O-CB 3.29Å; N304-V308 VanDerWaalsContact O-CG2 3.3Å; N304-V308 WeakPolarHBondContact O-CG2 3.05Å; N304-V308 PolarHBondContact O-N 3.37Å |
| 305 | F | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 172.1 | 179.1 | -90.5 | 0 | 0 | 0 | 111.3 | I68 T71 C72 L115 L119 L301 V303 Q307 F309 L394 | I68-F305 HydrophobicContact CG2-CD2 4.31Å; I68-F305 HydrophobicContact CG2-CE2 3.49Å; I68-F305 VanDerWaalsContact CG2-CE2 3.49Å; I68-F305 HydrophobicContact CG2-CZ 3.92Å; T71-F305 HydrophobicContact CG2-CB 3.9Å; T71-F305 HydrophobicContact CG2-CD2 4.15Å; C72-F305 HydrophobicContact CB-CD2 4.32Å; C72-F305 HydrophobicContact CB-CE2 3.79Å; L115-F305 HydrophobicContact CD1-CD1 4.14Å; L115-F305 HydrophobicContact CD1-CE1 4.24Å; L115-F305 HydrophobicContact CD2-CD1 3.68Å; L115-F305 HydrophobicContact CD2-CE1 3.55Å; L115-F305 HydrophobicContact CD2-CZ 4.43Å; L115-F305 HydrophobicContact CG-CD1 4.35Å; L115-F305 HydrophobicContact CG-CE1 4.1Å; L119-F305 HydrophobicContact CD1-CE1 3.68Å; L119-F305 HydrophobicContact CD1-CZ 4.37Å; L301-F305 WeakPolarHBondContact O-CB 3.2Å; L301-F305 PolarHBondContact O-N 2.86Å; V303-F305 PolarHBondContact O-N 3Å; F305-Q307 VanDerWaalsContact C-N 3.34Å; F305-Q307 PolarHBondContact O-N 2.83Å; F305-F309 VanDerWaalsContact O-CB 3.28Å; F305-F309 WeakPolarHBondContact O-CB 3.43Å; F305-F309 PolarHBondContact O-N 2.8Å; F305-L394 HydrophobicContact CE1-CD2 3.85Å; F305-L394 HydrophobicContact CZ-CD2 3.61Å |
| 306 | T | 93.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | -179.9 | -54.3 | 0 | 0 | 0 | 0 | 111 | K302 V303 N304 F309 I310 | K302-T306 PolarHBondContact O-N 3.45Å; K302-T306 PolarHBondContact O-OG1 2.86Å; V303-T306 PolarHBondContact O-N 3.46Å; N304-T306 VanDerWaalsContact C-N 3.34Å; N304-T306 PolarHBondContact O-N 2.91Å; T306-F309 PolarHBondContact O-N 2.8Å; T306-I310 HydrophobicContact CG2-CD1 4.02Å; T306-I310 VanDerWaalsContact O-CG1 3.29Å; T306-I310 WeakPolarHBondContact O-CG1 3.27Å; T306-I310 PolarHBondContact O-N 2.85Å |
| 307 | Q | 94.3 | Very high | 95.9 | Very high | 69 Ų | 69 | 26 Ų | 26 | 32% | 0.322 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.8 | -50.8 | 179 | 177.8 | 174.7 | -3.7 | 0 | 0 | 112.4 | E149 V303 N304 F305 F309 I310 A311 | E149-Q307 VanDerWaalsContact OE1-CD 3.29Å; E149-Q307 WeakPolarHBondContact OE1-CG 3.41Å; E149-Q307 PolarHBondContact OE1-NE2 3.29Å; V303-Q307 WeakPolarHBondContact O-CB 3.07Å; V303-Q307 PolarHBondContact O-N 2.6Å; N304-Q307 PolarHBondContact O-N 3.36Å; F305-Q307 VanDerWaalsContact C-N 3.34Å; F305-Q307 PolarHBondContact O-N 2.83Å; Q307-F309 VanDerWaalsContact C-N 3.3Å; Q307-F309 PolarHBondContact O-N 3.47Å; Q307-I310 PolarHBondContact O-N 2.86Å; Q307-A311 PolarHBondContact O-N 3.44Å |
| 308 | V | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -37.6 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | T64 L67 I68 V153 N304 A311 W312 | T64-V308 HydrophobicContact CG2-CG1 3.74Å; L67-V308 HydrophobicContact CD2-CG1 4.07Å; L67-V308 HydrophobicContact CD2-CG2 4.11Å; L67-V308 HydrophobicContact CG-CG1 4.38Å; I68-V308 HydrophobicContact CD1-CG1 4.14Å; I68-V308 HydrophobicContact CG1-CB 4.3Å; I68-V308 HydrophobicContact CG1-CG1 3.56Å; V153-V308 HydrophobicContact CB-CG2 3.86Å; V153-V308 HydrophobicContact CG1-CG2 3.62Å; V153-V308 HydrophobicContact CG2-CG2 3.91Å; N304-V308 WeakPolarHBondContact O-CB 3.29Å; N304-V308 VanDerWaalsContact O-CG2 3.3Å; N304-V308 WeakPolarHBondContact O-CG2 3.05Å; N304-V308 PolarHBondContact O-N 3.37Å; V308-A311 PolarHBondContact O-N 2.86Å; V308-W312 WeakPolarHBondContact O-CB 3.47Å; V308-W312 PolarHBondContact O-N 3.48Å |
| 309 | F | 95.6 | Very high | 96 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.2 | -170 | -84.3 | 0 | 0 | 0 | 112 | I68 L119 I123 F305 T306 Q307 A311 W312 I313 M393 | I68-F309 HydrophobicContact CD1-CB 4.44Å; I68-F309 HydrophobicContact CD1-CD2 4.2Å; I68-F309 HydrophobicContact CG2-CD2 4.4Å; L119-F309 HydrophobicContact CB-CE1 4.15Å; L119-F309 HydrophobicContact CB-CZ 4.46Å; L119-F309 HydrophobicContact CD1-CD1 3.95Å; L119-F309 HydrophobicContact CD1-CD2 3.82Å; L119-F309 HydrophobicContact CD1-CE1 4.06Å; L119-F309 HydrophobicContact CD1-CE2 3.96Å; L119-F309 HydrophobicContact CD1-CG 3.82Å; L119-F309 HydrophobicContact CD1-CZ 4.08Å; L119-F309 HydrophobicContact CD2-CB 4.36Å; L119-F309 HydrophobicContact CD2-CD1 3.49Å; L119-F309 VanDerWaalsContact CD2-CD1 3.49Å; L119-F309 HydrophobicContact CD2-CE1 3.94Å; L119-F309 HydrophobicContact CD2-CG 3.95Å; L119-F309 HydrophobicContact CG-CD1 4.18Å; L119-F309 HydrophobicContact CG-CE1 4.26Å; L119-F309 HydrophobicContact CG-CG 4.48Å; I123-F309 HydrophobicContact CD1-CE1 3.69Å; I123-F309 HydrophobicContact CD1-CZ 3.51Å; I123-F309 HydrophobicContact CG1-CE1 3.75Å; I123-F309 HydrophobicContact CG1-CZ 4.09Å; F305-F309 VanDerWaalsContact O-CB 3.28Å; F305-F309 WeakPolarHBondContact O-CB 3.43Å; F305-F309 PolarHBondContact O-N 2.8Å; T306-F309 PolarHBondContact O-N 2.8Å; Q307-F309 VanDerWaalsContact C-N 3.3Å; Q307-F309 PolarHBondContact O-N 3.47Å; F309-A311 VanDerWaalsContact C-N 3.34Å; F309-A311 PolarHBondContact O-N 3.16Å; F309-W312 HydrophobicContact CD2-CE3 4.17Å; F309-W312 AromaticContact CE2-CE3 3.95Å; F309-W312 HydrophobicContact CE2-CE3 3.95Å; F309-W312 AromaticContact CE2-CZ3 3.98Å; F309-W312 HydrophobicContact CE2-CZ3 3.98Å; F309-W312 WeakPolarHBondContact O-CB 3.24Å; F309-W312 PolarHBondContact O-N 2.91Å; F309-I313 HydrophobicContact CD1-CG1 4.12Å; F309-I313 HydrophobicContact CE1-CD1 3.91Å; F309-I313 HydrophobicContact CE1-CG1 3.77Å; F309-I313 HydrophobicContact CZ-CD1 4.11Å; F309-I313 HydrophobicContact CZ-CG1 4.45Å; F309-I313 WeakPolarHBondContact O-CG1 3.32Å; F309-I313 PolarHBondContact O-N 3.4Å; F309-I313 VanDerWaalsContact O-N 3.08Å; F309-M393 HydrophobicContact CD2-CE 4.12Å; F309-M393 HydrophobicContact CE2-CE 3.68Å |
| 310 | I | 94.7 | Very high | 96 | Very high | 43 Ų | 43 | 18.5 Ų | 18.5 | 22% | 0.221 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 176.1 | -68.9 | 165.8 | 0 | 0 | 0 | 110.8 | T306 Q307 W312 I313 H314 | T306-I310 HydrophobicContact CG2-CD1 4.02Å; T306-I310 VanDerWaalsContact O-CG1 3.29Å; T306-I310 WeakPolarHBondContact O-CG1 3.27Å; T306-I310 PolarHBondContact O-N 2.85Å; Q307-I310 PolarHBondContact O-N 2.86Å; I310-W312 VanDerWaalsContact C-N 3.27Å; I310-W312 PolarHBondContact O-N 3.48Å; I310-I313 PolarHBondContact O-N 3.24Å; I310-H314 PolarHBondContact O-N 2.75Å; I310-H314 VanDerWaalsContact O-N 3.14Å; I310-H314 PolarHBondContact O-ND1 3.27Å |
| 311 | A | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I146 Q307 V308 F309 H314 L315 | I146-A311 HydrophobicContact CG2-CB 4.34Å; Q307-A311 PolarHBondContact O-N 3.44Å; V308-A311 PolarHBondContact O-N 2.86Å; F309-A311 VanDerWaalsContact C-N 3.34Å; F309-A311 PolarHBondContact O-N 3.16Å; A311-H314 PolarHBondContact O-N 2.99Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 PolarHBondContact O-N 2.85Å |
| 312 | W | 96.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.7 | -169.8 | 44.7 | 0 | 0 | 0 | 112.9 | D61 T64 E65 I68 V308 F309 I310 H314 L315 K316 I389 | D61-W312 PolarHBondContact OD1-NE1 3.04Å; T64-W312 HydrophobicContact CG2-CB 3.67Å; T64-W312 HydrophobicContact CG2-CG 3.93Å; E65-W312 HydrophobicContact CB-CZ2 3.92Å; E65-W312 HydrophobicContact CG-CH2 4.2Å; E65-W312 HydrophobicContact CG-CZ2 3.81Å; I68-W312 HydrophobicContact CD1-CB 3.69Å; I68-W312 HydrophobicContact CD1-CD2 3.77Å; I68-W312 HydrophobicContact CD1-CE3 3.7Å; I68-W312 HydrophobicContact CD1-CG 3.8Å; V308-W312 WeakPolarHBondContact O-CB 3.47Å; V308-W312 PolarHBondContact O-N 3.48Å; F309-W312 HydrophobicContact CD2-CE3 4.17Å; F309-W312 AromaticContact CE2-CE3 3.95Å; F309-W312 HydrophobicContact CE2-CE3 3.95Å; F309-W312 AromaticContact CE2-CZ3 3.98Å; F309-W312 HydrophobicContact CE2-CZ3 3.98Å; F309-W312 WeakPolarHBondContact O-CB 3.24Å; F309-W312 PolarHBondContact O-N 2.91Å; I310-W312 VanDerWaalsContact C-N 3.27Å; I310-W312 PolarHBondContact O-N 3.48Å; W312-H314 VanDerWaalsContact C-N 3.35Å; W312-H314 PolarHBondContact O-N 2.77Å; W312-L315 WeakPolarHBondContact O-CB 3.35Å; W312-L315 PolarHBondContact O-N 2.84Å; W312-K316 VanDerWaalsContact CE2-CE 3.47Å; W312-K316 VanDerWaalsContact CZ2-CE 3.47Å; W312-K316 WeakPolarHBondContact O-CG 3.23Å; W312-K316 PolarHBondContact O-N 2.81Å; W312-I389 HydrophobicContact CE3-CG2 4.49Å; W312-I389 HydrophobicContact CH2-CG2 4.06Å; W312-I389 HydrophobicContact CZ3-CG2 3.75Å |
| 313 | I | 96.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 4% | 0.036 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.7 | -58.1 | -55.7 | 0 | 0 | 0 | 111.6 | F37 I123 F126 F309 I310 L315 K316 A317 I389 | F37-I313 HydrophobicContact CE2-CG2 4.14Å; F37-I313 HydrophobicContact CZ-CG2 4.02Å; I123-I313 HydrophobicContact CD1-CD1 4.5Å; I123-I313 HydrophobicContact CG1-CD1 4.03Å; I123-I313 HydrophobicContact CG1-CG1 4.28Å; F126-I313 HydrophobicContact CD2-CG2 3.48Å; F126-I313 VanDerWaalsContact CD2-CG2 3.48Å; F126-I313 HydrophobicContact CE2-CG2 3.76Å; F126-I313 HydrophobicContact CG-CG2 4.26Å; F309-I313 HydrophobicContact CD1-CG1 4.12Å; F309-I313 HydrophobicContact CE1-CD1 3.91Å; F309-I313 HydrophobicContact CE1-CG1 3.77Å; F309-I313 HydrophobicContact CZ-CD1 4.11Å; F309-I313 HydrophobicContact CZ-CG1 4.45Å; F309-I313 WeakPolarHBondContact O-CG1 3.32Å; F309-I313 PolarHBondContact O-N 3.4Å; F309-I313 VanDerWaalsContact O-N 3.08Å; I310-I313 PolarHBondContact O-N 3.24Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-K316 PolarHBondContact O-N 2.87Å; I313-A317 PolarHBondContact O-N 2.89Å; I313-I389 HydrophobicContact CD1-CD1 4.05Å; I313-I389 HydrophobicContact CD1-CG2 4.07Å |
| 314 | H | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 13.9 Ų | 13.9 | 3% | 0.028 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 172.8 | -73.6 | 81.7 | 0 | 0 | 0 | 111.9 | F126 W128 D129 Y133 I146 I310 A311 W312 A317 L318 | F126-H314 AromaticContact CE2-CE1 3.85Å; F126-H314 AromaticContact CE2-NE2 3.86Å; W128-H314 AromaticContact CE3-CD2 3.88Å; D129-H314 WeakPolarHBondContact CB-NE2 3.38Å; D129-H314 PolarHBondContact N-NE2 3.5Å; Y133-H314 HydrophobicContact CD2-CB 4.17Å; Y133-H314 AromaticContact CD2-CD2 3.33Å; Y133-H314 WeakPolarHBondContact CD2-CD2 3.27Å; Y133-H314 AromaticContact CD2-CG 3.7Å; Y133-H314 AromaticContact CD2-NE2 3.82Å; Y133-H314 HydrophobicContact CE2-CB 3.88Å; Y133-H314 AromaticContact CE2-CD2 3.58Å; Y133-H314 AromaticContact CE2-CG 3.47Å; Y133-H314 VanDerWaalsContact CE2-CG 3.47Å; Y133-H314 AromaticContact CE2-ND1 3.79Å; Y133-H314 AromaticContact CE2-NE2 3.97Å; I146-H314 HydrophobicContact CD1-CB 4.36Å; I310-H314 PolarHBondContact O-N 2.75Å; I310-H314 VanDerWaalsContact O-N 3.14Å; I310-H314 PolarHBondContact O-ND1 3.27Å; A311-H314 PolarHBondContact O-N 2.99Å; W312-H314 VanDerWaalsContact C-N 3.35Å; W312-H314 PolarHBondContact O-N 2.77Å; H314-A317 WeakPolarHBondContact O-CB 3.42Å; H314-A317 PolarHBondContact O-N 3.39Å; H314-L318 PolarHBondContact O-N 2.97Å |
| 315 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 174.5 | -170.5 | 71.1 | 0 | 0 | 0 | 111.8 | L57 L60 D61 I146 A311 W312 I313 A317 L318 R319 | L57-L315 HydrophobicContact CD2-CD1 3.33Å; L57-L315 HydrophobicContact CD2-CG 4.37Å; L60-L315 HydrophobicContact CB-CD1 4.44Å; L60-L315 HydrophobicContact CB-CD2 4.23Å; L60-L315 HydrophobicContact CD2-CD1 3.69Å; L60-L315 HydrophobicContact CD2-CD2 4.36Å; L60-L315 HydrophobicContact CG-CD1 4.03Å; L60-L315 HydrophobicContact CG-CD2 3.82Å; D61-L315 VanDerWaalsContact CA-CD2 3.44Å; D61-L315 HydrophobicContact CB-CD2 3.92Å; I146-L315 HydrophobicContact CD1-CB 4.32Å; I146-L315 HydrophobicContact CD1-CD1 4.19Å; I146-L315 HydrophobicContact CG2-CD1 4.24Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 PolarHBondContact O-N 2.85Å; W312-L315 WeakPolarHBondContact O-CB 3.35Å; W312-L315 PolarHBondContact O-N 2.84Å; I313-L315 VanDerWaalsContact C-N 3.32Å; L315-A317 VanDerWaalsContact C-N 3.31Å; L315-A317 PolarHBondContact O-N 2.9Å; L315-L318 WeakPolarHBondContact O-CB 3.37Å; L315-L318 PolarHBondContact O-N 3.19Å; L315-R319 WeakPolarHBondContact O-CG 3.07Å; L315-R319 PolarHBondContact O-N 3.09Å |
| 316 | K | 96.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 171.8 | -66.2 | -67.4 | -170.4 | -166 | 0 | 111.5 | L6 D61 W312 I313 R319 V320 F387 H388 I389 | L6-K316 HydrophobicContact CD2-CB 4.07Å; D61-K316 WeakPolarHBondContact OD1-CD 3.1Å; D61-K316 WeakPolarHBondContact OD1-CE 3.42Å; D61-K316 IonicContact OD1-NZ 2.91Å; D61-K316 PolarHBondContact OD1-NZ 3Å; D61-K316 IonicContact OD2-NZ 2.66Å; D61-K316 PolarHBondContact OD2-NZ 3.3Å; W312-K316 VanDerWaalsContact CE2-CE 3.47Å; W312-K316 VanDerWaalsContact CZ2-CE 3.47Å; W312-K316 WeakPolarHBondContact O-CG 3.23Å; W312-K316 PolarHBondContact O-N 2.81Å; I313-K316 PolarHBondContact O-N 2.87Å; K316-R319 PolarHBondContact O-N 2.97Å; K316-V320 WeakPolarHBondContact O-CG2 3.37Å; K316-V320 PolarHBondContact O-N 3.05Å; K316-F387 HydrophobicContact CD-CB 4.36Å; K316-H388 PolarHBondContact NZ-O 3.16Å; K316-I389 HydrophobicContact CD-CG1 4.44Å; K316-I389 HydrophobicContact CG-CD1 4.44Å; K316-I389 HydrophobicContact CG-CG1 4.21Å |
| 317 | A | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F37 I39 F126 W128 I313 H314 L315 V320 F321 | F37-A317 HydrophobicContact CE1-CB 3.67Å; F37-A317 HydrophobicContact CZ-CB 4.08Å; I39-A317 HydrophobicContact CD1-CB 4.29Å; I39-A317 HydrophobicContact CG1-CB 4.26Å; F126-A317 HydrophobicContact CE1-CB 4.23Å; F126-A317 HydrophobicContact CZ-CB 3.96Å; W128-A317 HydrophobicContact CE3-CB 4.27Å; W128-A317 HydrophobicContact CZ3-CB 3.99Å; I313-A317 PolarHBondContact O-N 2.89Å; H314-A317 WeakPolarHBondContact O-CB 3.42Å; H314-A317 PolarHBondContact O-N 3.39Å; L315-A317 VanDerWaalsContact C-N 3.31Å; L315-A317 PolarHBondContact O-N 2.9Å; A317-V320 PolarHBondContact O-N 2.84Å; A317-F321 PolarHBondContact O-N 2.8Å |
| 318 | L | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 173 | -74.8 | 176.9 | 0 | 0 | 0 | 111.8 | L42 L57 W128 L139 L142 I146 H314 L315 V320 F321 V322 | L42-L318 HydrophobicContact CD1-CD2 3.5Å; L57-L318 HydrophobicContact CD1-CB 4.11Å; L57-L318 HydrophobicContact CD2-CB 3.95Å; L57-L318 HydrophobicContact CD2-CD1 4.11Å; W128-L318 HydrophobicContact CH2-CD1 4.49Å; W128-L318 HydrophobicContact CH2-CD2 3.61Å; W128-L318 HydrophobicContact CH2-CG 3.81Å; W128-L318 HydrophobicContact CZ3-CD2 4.27Å; W128-L318 HydrophobicContact CZ3-CG 4.26Å; L139-L318 HydrophobicContact CD2-CD2 3.88Å; L142-L318 HydrophobicContact CB-CD1 4.2Å; L142-L318 HydrophobicContact CD1-CD2 4.2Å; I146-L318 HydrophobicContact CD1-CD1 3.72Å; H314-L318 PolarHBondContact O-N 2.97Å; L315-L318 WeakPolarHBondContact O-CB 3.37Å; L315-L318 PolarHBondContact O-N 3.19Å; L318-V320 PolarHBondContact O-N 2.8Å; L318-F321 PolarHBondContact O-N 2.86Å; L318-V322 WeakPolarHBondContact O-CB 3.03Å; L318-V322 WeakPolarHBondContact O-CG2 3.16Å; L318-V322 PolarHBondContact O-N 2.93Å |
| 319 | R | 95.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 19 Ų | 19 | 13% | 0.128 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 176.5 | -72.5 | -173.4 | 71.9 | -167.4 | -0.2 | 111.9 | L57 D61 L315 K316 F321 V322 E323 F387 | L57-R319 HydrophobicContact CB-CG 3.71Å; L57-R319 HydrophobicContact CD1-CG 4.2Å; L57-R319 HydrophobicContact CG-CG 4.41Å; D61-R319 VanDerWaalsContact CG-NH1 3.35Å; D61-R319 IonicContact OD2-CZ 2.7Å; D61-R319 IonicContact OD2-NH1 2.8Å; D61-R319 PolarHBondContact OD2-NH1 2.89Å; L315-R319 WeakPolarHBondContact O-CG 3.07Å; L315-R319 PolarHBondContact O-N 3.09Å; K316-R319 PolarHBondContact O-N 2.97Å; R319-F321 VanDerWaalsContact C-N 3.33Å; R319-F321 PolarHBondContact O-N 3.1Å; R319-V322 PolarHBondContact O-N 3.29Å; R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 PolarHBondContact O-N 2.98Å; R319-F387 HydrophobicContact CB-CD2 4.43Å; R319-F387 HydrophobicContact CB-CE1 4.46Å; R319-F387 HydrophobicContact CB-CE2 3.94Å; R319-F387 HydrophobicContact CB-CZ 3.95Å; R319-F387 VanDerWaalsContact NH2-CE1 3.28Å |
| 320 | V | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | L6 I39 K316 A317 L318 S324 Y334 A336 F387 | L6-V320 HydrophobicContact CD2-CG2 3.42Å; L6-V320 VanDerWaalsContact CD2-CG2 3.42Å; L6-V320 HydrophobicContact CG-CG2 3.66Å; I39-V320 HydrophobicContact CD1-CB 3.76Å; I39-V320 HydrophobicContact CD1-CG1 3.56Å; K316-V320 WeakPolarHBondContact O-CG2 3.37Å; K316-V320 PolarHBondContact O-N 3.05Å; A317-V320 PolarHBondContact O-N 2.84Å; L318-V320 PolarHBondContact O-N 2.8Å; V320-S324 WeakPolarHBondContact O-CB 3.28Å; V320-S324 PolarHBondContact O-N 3Å; V320-S324 PolarHBondContact O-OG 3.28Å; V320-Y334 HydrophobicContact CG1-CE2 3.97Å; V320-A336 HydrophobicContact CG1-CB 4.05Å; V320-F387 HydrophobicContact CB-CE2 4.46Å; V320-F387 HydrophobicContact CG2-CD2 3.5Å; V320-F387 VanDerWaalsContact CG2-CD2 3.5Å; V320-F387 HydrophobicContact CG2-CE2 3.81Å |
| 321 | F | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -54.1 | 179.4 | -178.6 | -89.1 | 0 | 0 | 0 | 110.9 | I39 L42 V44 L139 A317 L318 R319 E323 S324 V325 V332 Y334 | I39-F321 HydrophobicContact CG2-CB 4.25Å; I39-F321 HydrophobicContact CG2-CD2 4.26Å; L42-F321 HydrophobicContact CB-CD1 4.14Å; L42-F321 HydrophobicContact CB-CD2 4.33Å; L42-F321 HydrophobicContact CB-CE1 3.77Å; L42-F321 HydrophobicContact CB-CE2 4Å; L42-F321 HydrophobicContact CB-CG 4.41Å; L42-F321 HydrophobicContact CB-CZ 3.71Å; L42-F321 HydrophobicContact CD1-CB 4.2Å; L42-F321 HydrophobicContact CD1-CD1 4.07Å; L42-F321 HydrophobicContact CD1-CD2 4.18Å; L42-F321 HydrophobicContact CD1-CG 3.88Å; L42-F321 HydrophobicContact CG-CD2 4.32Å; L42-F321 HydrophobicContact CG-CE2 4.38Å; L42-F321 HydrophobicContact CG-CG 4.45Å; L42-F321 WeakPolarHBondContact O-CZ 3.01Å; V44-F321 HydrophobicContact CG2-CE1 3.77Å; V44-F321 HydrophobicContact CG2-CZ 3.71Å; L139-F321 HydrophobicContact CD1-CD1 4.33Å; L139-F321 HydrophobicContact CD1-CE1 4.14Å; L139-F321 HydrophobicContact CD2-CD1 4.04Å; L139-F321 HydrophobicContact CD2-CE1 4.2Å; A317-F321 PolarHBondContact O-N 2.8Å; L318-F321 PolarHBondContact O-N 2.86Å; R319-F321 VanDerWaalsContact C-N 3.33Å; R319-F321 PolarHBondContact O-N 3.1Å; F321-E323 PolarHBondContact O-N 2.93Å; F321-S324 WeakPolarHBondContact O-CB 3.26Å; F321-S324 PolarHBondContact O-N 2.92Å; F321-V325 HydrophobicContact CD1-CG2 4.32Å; F321-V325 HydrophobicContact CE1-CG2 3.96Å; F321-V325 HydrophobicContact CZ-CG2 4.1Å; F321-V325 WeakPolarHBondContact O-CG2 3.4Å; F321-V325 PolarHBondContact O-N 2.84Å; F321-V332 HydrophobicContact CE2-CG1 3.93Å; F321-V332 HydrophobicContact CZ-CG1 4.42Å; F321-V332 HydrophobicContact CZ-CG2 4.36Å; F321-Y334 WeakPolarHBondContact CA-OH 3.47Å; F321-Y334 HydrophobicContact CD2-CE1 4.11Å; F321-Y334 WeakPolarHBondContact CD2-OH 3.21Å |
| 322 | V | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -48.4 | -178.1 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | L50 V53 A54 L57 L139 L318 R319 S324 V325 L326 | L50-V322 HydrophobicContact CD1-CB 4.16Å; L50-V322 HydrophobicContact CD1-CG1 3.73Å; L50-V322 HydrophobicContact CD1-CG2 3.87Å; L50-V322 HydrophobicContact CG-CG1 4.05Å; V53-V322 HydrophobicContact CG1-CG2 4.11Å; A54-V322 HydrophobicContact CB-CG1 3.69Å; L57-V322 HydrophobicContact CD1-CB 4.2Å; L57-V322 HydrophobicContact CD1-CG2 3.76Å; L139-V322 HydrophobicContact CD1-CG2 3.97Å; L318-V322 WeakPolarHBondContact O-CB 3.03Å; L318-V322 WeakPolarHBondContact O-CG2 3.16Å; L318-V322 PolarHBondContact O-N 2.93Å; R319-V322 PolarHBondContact O-N 3.29Å; V322-S324 VanDerWaalsContact C-N 3.33Å; V322-S324 PolarHBondContact O-N 2.87Å; V322-V325 PolarHBondContact O-N 3.28Å; V322-L326 HydrophobicContact CG1-CD1 3.89Å; V322-L326 HydrophobicContact CG1-CG 4.49Å; V322-L326 WeakPolarHBondContact O-CG 3.38Å; V322-L326 PolarHBondContact O-N 3.2Å |
| 323 | E | 92.3 | Very high | 92.2 | Very high | 72 Ų | 72 | 34.1 Ų | 34.1 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 179.4 | -162.7 | 68.3 | -152.8 | 0 | 0 | 111.5 | R319 F321 V325 L326 R327 I385 F387 | R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 PolarHBondContact O-N 2.98Å; F321-E323 PolarHBondContact O-N 2.93Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 3.16Å; E323-L326 PolarHBondContact O-N 3.27Å; E323-R327 VanDerWaalsContact O-CB 3.23Å; E323-R327 WeakPolarHBondContact O-CB 3.26Å; E323-R327 PolarHBondContact O-N 2.97Å; E323-I385 VanDerWaalsContact C-CD1 3.46Å; E323-I385 HydrophobicContact CB-CD1 3.96Å; E323-I385 HydrophobicContact CB-CG1 4.44Å; E323-I385 HydrophobicContact CB-CG2 4.11Å; E323-I385 HydrophobicContact CG-CB 4.46Å; E323-I385 HydrophobicContact CG-CD1 3.74Å; E323-I385 HydrophobicContact CG-CG1 3.77Å; E323-I385 HydrophobicContact CG-CG2 3.88Å; E323-I385 WeakPolarHBondContact O-CD1 3.43Å; E323-F387 HydrophobicContact CB-CE2 4.39Å; E323-F387 HydrophobicContact CB-CZ 4.15Å; E323-F387 HydrophobicContact CG-CZ 4.3Å |
| 324 | S | 92.6 | Very high | 92 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | S8 V320 F321 V322 Y328 I385 | S8-S324 WeakPolarHBondContact CB-OG 3.42Å; S8-S324 PolarHBondContact OG-OG 2.62Å; V320-S324 WeakPolarHBondContact O-CB 3.28Å; V320-S324 PolarHBondContact O-N 3Å; V320-S324 PolarHBondContact O-OG 3.28Å; F321-S324 WeakPolarHBondContact O-CB 3.26Å; F321-S324 PolarHBondContact O-N 2.92Å; V322-S324 VanDerWaalsContact C-N 3.33Å; V322-S324 PolarHBondContact O-N 2.87Å; S324-Y328 WeakPolarHBondContact O-CA 3.44Å; S324-Y328 VanDerWaalsContact O-CB 3.27Å; S324-Y328 WeakPolarHBondContact O-CB 3.25Å; S324-Y328 WeakPolarHBondContact O-CD2 3.38Å; S324-Y328 PolarHBondContact O-N 3.44Å; S324-I385 VanDerWaalsContact CA-CD1 3.48Å |
| 325 | V | 92.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.3 | -42.6 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | V44 L50 F321 V322 E323 R327 G329 L330 V332 | V44-V325 HydrophobicContact CG1-CG1 4.07Å; V44-V325 HydrophobicContact CG2-CG2 4.32Å; L50-V325 HydrophobicContact CD2-CB 3.93Å; L50-V325 HydrophobicContact CD2-CG1 3.51Å; F321-V325 HydrophobicContact CD1-CG2 4.32Å; F321-V325 HydrophobicContact CE1-CG2 3.96Å; F321-V325 HydrophobicContact CZ-CG2 4.1Å; F321-V325 WeakPolarHBondContact O-CG2 3.4Å; F321-V325 PolarHBondContact O-N 2.84Å; V322-V325 PolarHBondContact O-N 3.28Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 3.16Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.33Å; V325-G329 VanDerWaalsContact O-CA 3.24Å; V325-G329 WeakPolarHBondContact O-CA 3.41Å; V325-G329 PolarHBondContact O-N 3.46Å; V325-L330 HydrophobicContact CG1-CD2 4Å; V325-V332 HydrophobicContact CG2-CB 4.44Å; V325-V332 HydrophobicContact CG2-CG1 3.96Å; V325-V332 HydrophobicContact CG2-CG2 3.68Å |
| 326 | L | 90.9 | Very high | 91.6 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 30% | 0.304 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 177.7 | -72.3 | 170.9 | 0 | 0 | 0 | 112.3 | L47 L50 V51 A54 V322 E323 | L47-L326 HydrophobicContact CD1-CD2 3.67Å; L50-L326 HydrophobicContact CB-CD2 4.27Å; L50-L326 HydrophobicContact CD2-CD2 3.59Å; L50-L326 HydrophobicContact CD2-CG 3.72Å; L50-L326 HydrophobicContact CG-CD1 4.4Å; L50-L326 HydrophobicContact CG-CD2 3.83Å; L50-L326 HydrophobicContact CG-CG 3.91Å; V51-L326 HydrophobicContact CG2-CD2 3.98Å; A54-L326 HydrophobicContact CB-CD1 3.88Å; V322-L326 HydrophobicContact CG1-CD1 3.89Å; V322-L326 HydrophobicContact CG1-CG 4.49Å; V322-L326 WeakPolarHBondContact O-CG 3.38Å; V322-L326 PolarHBondContact O-N 3.2Å; E323-L326 PolarHBondContact O-N 3.27Å |
| 327 | R | 89.2 | Confident | 91.5 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 27% | 0.272 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -88.7 | -39.9 | -174.9 | -166.8 | 174.6 | -175.9 | 156.4 | 8.1 | 114.1 | E323 V325 S382 S383 Y384 I385 | E323-R327 VanDerWaalsContact O-CB 3.23Å; E323-R327 WeakPolarHBondContact O-CB 3.26Å; E323-R327 PolarHBondContact O-N 2.97Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.33Å; R327-S382 PolarHBondContact NH1-O 3.13Å; R327-S382 PolarHBondContact NH2-O 3.05Å; R327-S383 VanDerWaalsContact CZ-O 3.28Å; R327-S383 PolarHBondContact NH2-O 3.32Å; R327-Y384 VanDerWaalsContact NH1-C 3.31Å; R327-Y384 PolarHBondContact NH1-O 2.9Å; R327-I385 HydrophobicContact CB-CD1 4.17Å |
| 328 | Y | 89.7 | Confident | 91.4 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 21% | 0.212 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -102.1 | -11.8 | -174.7 | -50.7 | -41.3 | 0 | 0 | 0 | 113.2 | S8 P10 S324 I385 | S8-Y328 PolarHBondContact O-OH 3.19Å; P10-Y328 HydrophobicContact CB-CD1 4.21Å; P10-Y328 HydrophobicContact CB-CD2 4.28Å; P10-Y328 HydrophobicContact CB-CG 4.1Å; P10-Y328 HydrophobicContact CG-CD1 4.15Å; P10-Y328 HydrophobicContact CG-CE1 4.08Å; S324-Y328 WeakPolarHBondContact O-CA 3.44Å; S324-Y328 VanDerWaalsContact O-CB 3.27Å; S324-Y328 WeakPolarHBondContact O-CB 3.25Å; S324-Y328 WeakPolarHBondContact O-CD2 3.38Å; S324-Y328 PolarHBondContact O-N 3.44Å; Y328-I385 HydrophobicContact CE2-CD1 3.76Å |
| 329 | G | 87.3 | Confident | 91.2 | Very high | 29 Ų | 29 | 36.6 Ų | 36.6 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | 76.2 | -165.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V325 | V325-G329 VanDerWaalsContact O-CA 3.24Å; V325-G329 WeakPolarHBondContact O-CA 3.41Å; V325-G329 PolarHBondContact O-N 3.46Å | ||
| 330 | L | 85.2 | Confident | 90.9 | Very high | 124 Ų | 124 | 37.6 Ų | 37.6 | 65% | 0.649 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -107.5 | 147.2 | 178.2 | -65.4 | 177.4 | 0 | 0 | 0 | 110.6 | V325 V332 | V325-L330 HydrophobicContact CG1-CD2 4Å; L330-V332 HydrophobicContact CD2-CG2 3.47Å; L330-V332 VanDerWaalsContact CD2-CG2 3.47Å |
| 331 | P | 82.9 | Confident | 90.4 | Very high | 112 Ų | 112 | 37.7 Ų | 37.7 | 73% | 0.727 | 20% | 0.2 | S | C | * | . | S | Bend | cis | -68.7 | 152.2 | -1.6 | 30.1 | -35.9 | 0 | 0 | 0 | 112.6 | N333 | P331-N333 PolarHBondContact O-N 2.82Š|
| 332 | V | 82.4 | Confident | 89.7 | Confident | 42 Ų | 42 | 39.7 Ų | 39.7 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | trans | -65.2 | 95.4 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | V44 F321 V325 L330 Y334 | V44-V332 HydrophobicContact CG2-CG2 4.26Å; F321-V332 HydrophobicContact CE2-CG1 3.93Å; F321-V332 HydrophobicContact CZ-CG1 4.42Å; F321-V332 HydrophobicContact CZ-CG2 4.36Å; V325-V332 HydrophobicContact CG2-CB 4.44Å; V325-V332 HydrophobicContact CG2-CG1 3.96Å; V325-V332 HydrophobicContact CG2-CG2 3.68Å; L330-V332 HydrophobicContact CD2-CG2 3.47Å; L330-V332 VanDerWaalsContact CD2-CG2 3.47Å; V332-Y334 HydrophobicContact CG1-CD1 3.49Å; V332-Y334 VanDerWaalsContact CG1-CD1 3.49Å; V332-Y334 HydrophobicContact CG1-CE1 3.34Å | ||
| 333 | N | 87.6 | Confident | 88.7 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 47% | 0.465 | 23% | 0.232 | S | C | . | . | trans | -129.9 | 77.7 | -172 | -164.8 | 25.5 | 0 | 0 | 0 | 110.9 | L11 P331 | L11-N333 VanDerWaalsContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CD1-OD1 3.06Å; L11-N333 PolarHBondContact N-O 3.24Å; P331-N333 PolarHBondContact O-N 2.82Å | ||
| 334 | Y | 92.7 | Very high | 88.1 | Confident | 31 Ų | 31 | 51 Ų | 51 | 12% | 0.122 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 162.8 | -178.2 | 75.4 | -93.5 | 0 | 0 | 0 | 111.9 | S8 V9 L11 I39 V320 F321 V332 A336 | S8-Y334 WeakPolarHBondContact OG-CD2 3.32Å; V9-Y334 CarbonylContact O-C 3.45Å; V9-Y334 VanDerWaalsContact O-CA 3.26Å; V9-Y334 WeakPolarHBondContact O-CA 3.4Å; V9-Y334 WeakPolarHBondContact O-CB 3.5Å; L11-Y334 WeakPolarHBondContact CD1-O 3.17Å; I39-Y334 HydrophobicContact CD1-CE2 4.29Å; V320-Y334 HydrophobicContact CG1-CE2 3.97Å; F321-Y334 WeakPolarHBondContact CA-OH 3.47Å; F321-Y334 HydrophobicContact CD2-CE1 4.11Å; F321-Y334 WeakPolarHBondContact CD2-OH 3.21Å; V332-Y334 HydrophobicContact CG1-CD1 3.49Å; V332-Y334 VanDerWaalsContact CG1-CD1 3.49Å; V332-Y334 HydrophobicContact CG1-CE1 3.34Å; Y334-A336 HydrophobicContact CE2-CB 4.11Å |
| 335 | Q | 92.3 | Very high | 87.5 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.2 | 171.1 | -177.9 | 167.9 | 28.1 | 0 | 0 | 110.2 | V9 L11 L337 | V9-Q335 HydrophobicContact CG2-CB 4.45Å; V9-Q335 PolarHBondContact N-O 3.42Å; V9-Q335 PolarHBondContact O-N 2.86Å; L11-Q335 HydrophobicContact CD2-CB 3.84Å; L11-Q335 HydrophobicContact CG-CB 4.31Å; Q335-L337 HydrophobicContact CG-CD2 4.12Å; Q335-L337 HydrophobicContact CG-CG 4.3Å |
| 336 | A | 94.8 | Very high | 87 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 137.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | I7 F37 I39 V320 Y334 | I7-A336 CarbonylContact O-C 3.57Å; I7-A336 VanDerWaalsContact O-CA 3.27Å; I7-A336 WeakPolarHBondContact O-CA 3.49Å; F37-A336 HydrophobicContact CB-CB 4.09Å; F37-A336 HydrophobicContact CD1-CB 4.27Å; F37-A336 PolarHBondContact N-O 3.27Å; I39-A336 HydrophobicContact CD1-CB 3.89Å; I39-A336 HydrophobicContact CG1-CB 4.42Å; V320-A336 HydrophobicContact CG1-CB 4.05Å; Y334-A336 HydrophobicContact CE2-CB 4.11Å |
| 337 | L | 94.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.5 | 178.4 | -57.5 | 163.3 | 0 | 0 | 0 | 109.3 | I7 V19 W35 Q335 | I7-L337 HydrophobicContact CD1-CB 4.15Å; I7-L337 HydrophobicContact CD1-CD1 3.98Å; I7-L337 HydrophobicContact CG1-CB 3.72Å; I7-L337 HydrophobicContact CG1-CD1 4.37Å; I7-L337 PolarHBondContact N-O 3.19Å; I7-L337 PolarHBondContact O-N 3.16Å; V19-L337 HydrophobicContact CB-CD1 4.47Å; V19-L337 HydrophobicContact CG1-CD1 3.74Å; V19-L337 HydrophobicContact CG2-CD1 3.87Å; W35-L337 CarbonylContact O-C 3.51Å; W35-L337 WeakPolarHBondContact O-CA 3.33Å; Q335-L337 HydrophobicContact CG-CD2 4.12Å; Q335-L337 HydrophobicContact CG-CG 4.3Å |
| 338 | L | 94.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.6 | 170.8 | 179.3 | 76.8 | 0 | 0 | 0 | 108.3 | F4 C34 W35 F37 I123 T124 | F4-L338 HydrophobicContact CB-CD1 4.02Å; F4-L338 HydrophobicContact CD1-CD1 3.92Å; F4-L338 HydrophobicContact CD1-CD2 4.02Å; F4-L338 HydrophobicContact CD1-CG 4.02Å; F4-L338 HydrophobicContact CE1-CD2 4.38Å; F4-L338 HydrophobicContact CG-CD1 4.39Å; C34-L338 CarbonylContact C-O 3.6Å; C34-L338 WeakPolarHBondContact CA-O 2.97Å; W35-L338 HydrophobicContact CB-CB 4.5Å; W35-L338 HydrophobicContact CE3-CB 4.44Å; W35-L338 HydrophobicContact CE3-CD2 3.82Å; W35-L338 HydrophobicContact CE3-CG 4.16Å; W35-L338 HydrophobicContact CZ3-CD2 4.27Å; W35-L338 PolarHBondContact N-O 3.3Å; W35-L338 PolarHBondContact O-N 3.48Å; F37-L338 HydrophobicContact CB-CB 4.42Å; F37-L338 HydrophobicContact CD2-CB 4.38Å; I123-L338 HydrophobicContact CG2-CD1 3.89Å; I123-L338 HydrophobicContact CG2-CD2 3.62Å; I123-L338 HydrophobicContact CG2-CG 4.39Å; T124-L338 HydrophobicContact CG2-CD2 4.19Å |
| 339 | L | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.2 | 174.5 | -53.4 | 177.8 | 0 | 0 | 0 | 109.2 | F4 W5 I7 L22 I26 S33 C34 L349 L353 | F4-L339 CarbonylContact C-O 3.55Å; F4-L339 VanDerWaalsContact CA-O 3.29Å; F4-L339 WeakPolarHBondContact CA-O 3.47Å; W5-L339 HydrophobicContact CB-CB 4.3Å; W5-L339 PolarHBondContact N-O 3.42Å; W5-L339 PolarHBondContact O-N 3.08Å; I7-L339 HydrophobicContact CD1-CD1 3.81Å; I7-L339 HydrophobicContact CD1-CG 4.3Å; I7-L339 HydrophobicContact CG1-CD1 4.22Å; I7-L339 HydrophobicContact CG1-CG 4.36Å; I7-L339 HydrophobicContact CG2-CD1 4.16Å; L22-L339 HydrophobicContact CD2-CD1 4.42Å; L22-L339 HydrophobicContact CD2-CD2 4.33Å; I26-L339 HydrophobicContact CD1-CD2 3.92Å; S33-L339 CarbonylContact O-C 3.58Å; S33-L339 WeakPolarHBondContact O-CA 3.33Å; C34-L339 HydrophobicContact CB-CD2 3.69Å; C34-L339 VanDerWaalsContact SG-CD2 3.51Å; L339-L349 HydrophobicContact CD1-CD2 4.42Å; L339-L353 HydrophobicContact CD1-CD1 3.83Å; L339-L353 HydrophobicContact CD1-CD2 4.06Å; L339-L353 HydrophobicContact CD1-CG 4.5Å |
| 340 | E | 89.3 | Confident | 86.5 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.1 | 165.8 | 173.5 | -174.8 | -146.7 | 0 | 0 | 108.2 | A2 F4 G32 S33 W35 | A2-E340 HydrophobicContact CB-CG 4.05Å; A2-E340 WeakPolarHBondContact CB-OE1 3.3Å; F4-E340 HydrophobicContact CD1-CB 4.05Å; F4-E340 HydrophobicContact CE1-CB 3.76Å; F4-E340 HydrophobicContact CE1-CG 4.06Å; F4-E340 HydrophobicContact CZ-CB 4.37Å; F4-E340 HydrophobicContact CZ-CG 4.16Å; G32-E340 CarbonylContact C-O 3.42Å; G32-E340 WeakPolarHBondContact CA-O 3.24Å; S33-E340 PolarHBondContact N-O 3.14Å; S33-E340 PolarHBondContact O-N 2.87Å; S33-E340 PolarHBondContact OG-OE2 3.29Å; W35-E340 HydrophobicContact CH2-CB 3.84Å; W35-E340 WeakPolarHBondContact CH2-OE2 3.45Å; W35-E340 HydrophobicContact CZ3-CB 3.55Å |
| 341 | T | 84.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.8 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | A2 D3 W5 L349 | A2-T341 WeakPolarHBondContact CA-O 3.08Å; D3-T341 PolarHBondContact N-O 3.34Å; D3-T341 PolarHBondContact O-N 3.38Å; W5-T341 HydrophobicContact CD2-CG2 4.17Å; W5-T341 HydrophobicContact CZ2-CG2 3.98Å; T341-L349 HydrophobicContact CG2-CD2 4.01Å |
| 342 | D | 81.1 | Confident | 86.9 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 138 | 164.9 | -159.6 | -49.8 | 0 | 0 | 0 | 110.3 | M1 K344 R345 S346 | M1-D342 PolarHBondContact N-OD1 3.1Å; M1-D342 PolarHBondContact N-OD2 3.08Å; M1-D342 CarbonylContact O-C 3.48Å; M1-D342 WeakPolarHBondContact O-CA 3.41Å; D342-K344 PolarHBondContact O-N 3.48Å; D342-K344 VanDerWaalsContact O-N 3.14Å; D342-K344 PolarHBondContact OD1-N 2.53Å; D342-K344 VanDerWaalsContact OD1-N 3.09Å; D342-R345 CarbonylContact O-C 3.5Å; D342-R345 WeakPolarHBondContact O-CA 3.44Å; D342-R345 PolarHBondContact O-N 3.44Å; D342-S346 PolarHBondContact O-N 3.42Å |
| 343 | R | 74.6 | Confident | 87.1 | Confident | 122 Ų | 122 | 58.3 Ų | 58.3 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -42.4 | -43.3 | 166.7 | -85.5 | -174.6 | 158.5 | -156.4 | -8.1 | 113.9 | M1 D3 R345 S346 | M1-R343 HydrophobicContact CB-CB 4.18Å; M1-R343 HydrophobicContact CB-CG 4Å; M1-R343 HydrophobicContact CE-CB 4.25Å; M1-R343 HydrophobicContact CE-CG 4.45Å; M1-R343 PolarHBondContact O-N 3.48Å; D3-R343 WeakPolarHBondContact OD2-CG 3.46Å; D3-R343 IonicContact OD2-NE 3.47Å; D3-R343 PolarHBondContact OD2-NE 3.03Å; R343-R345 PolarHBondContact O-N 3.42Å; R343-S346 WeakPolarHBondContact O-CB 3.4Å; R343-S346 PolarHBondContact O-N 3.04Å; R343-S346 PolarHBondContact O-OG 2.87Å |
| 344 | K | 79.1 | Confident | 87.2 | Confident | 191 Ų | 191 | 56.3 Ų | 56.3 | 83% | 0.83 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.9 | -28.8 | 179.4 | -66.2 | -175.1 | -179.3 | -178.6 | 0 | 113.2 | D342 | D342-K344 PolarHBondContact O-N 3.48Å; D342-K344 VanDerWaalsContact O-N 3.14Å; D342-K344 PolarHBondContact OD1-N 2.53Å; D342-K344 VanDerWaalsContact OD1-N 3.09Å |
| 345 | R | 79.4 | Confident | 87 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -104.9 | -6.5 | -175.3 | -65 | -177.8 | -69 | -158.5 | -1 | 113.2 | H30 L31 D342 R343 K347 K348 L349 | H30-R345 VanDerWaalsContact O-CZ 3.24Å; H30-R345 PolarHBondContact O-NH1 3.33Å; L31-R345 HydrophobicContact CD2-CB 4.02Å; D342-R345 CarbonylContact O-C 3.5Å; D342-R345 WeakPolarHBondContact O-CA 3.44Å; D342-R345 PolarHBondContact O-N 3.44Å; R343-R345 PolarHBondContact O-N 3.42Å; R345-K347 VanDerWaalsContact C-N 3.32Å; R345-K347 PolarHBondContact O-N 2.93Å; R345-K348 PolarHBondContact O-N 3.44Å; R345-K348 VanDerWaalsContact O-N 3.16Å; R345-L349 PolarHBondContact O-N 3.06Å; R345-L349 VanDerWaalsContact O-N 3.08Å |
| 346 | S | 82.1 | Confident | 86.8 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 22% | 0.217 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52 | -45.7 | -179.9 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | W5 D342 R343 K348 L349 K350 | W5-S346 VanDerWaalsContact CH2-O 3.25Å; W5-S346 WeakPolarHBondContact CH2-O 3.45Å; D342-S346 PolarHBondContact O-N 3.42Å; R343-S346 WeakPolarHBondContact O-CB 3.4Å; R343-S346 PolarHBondContact O-N 3.04Å; R343-S346 PolarHBondContact O-OG 2.87Å; S346-K348 PolarHBondContact O-N 3.22Å; S346-L349 PolarHBondContact O-N 2.94Å; S346-K350 PolarHBondContact O-N 2.65Å |
| 347 | K | 85.9 | Confident | 86.6 | Confident | 152 Ų | 152 | 58 Ų | 58 | 66% | 0.661 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 179.6 | -169.7 | -179.6 | 177.8 | -176.4 | 0 | 112.2 | R345 L349 K350 E351 | R345-K347 VanDerWaalsContact C-N 3.32Å; R345-K347 PolarHBondContact O-N 2.93Å; K347-L349 PolarHBondContact O-N 3.49Å; K347-K350 WeakPolarHBondContact O-CB 2.99Å; K347-K350 PolarHBondContact O-N 3.4Å; K347-E351 WeakPolarHBondContact CE-OE1 3.18Å; K347-E351 WeakPolarHBondContact O-CG 3.09Å; K347-E351 PolarHBondContact O-N 3.38Å |
| 348 | K | 86.7 | Confident | 86.3 | Confident | 124 Ų | 124 | 61.9 Ų | 61.9 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 178.1 | -175.5 | 169.6 | 176.2 | -179.4 | 0 | 112.1 | L31 R345 S346 E351 E352 | L31-K348 HydrophobicContact CD2-CB 4.29Å; L31-K348 HydrophobicContact CD2-CD 4.04Å; L31-K348 HydrophobicContact CD2-CG 4.13Å; R345-K348 PolarHBondContact O-N 3.44Å; R345-K348 VanDerWaalsContact O-N 3.16Å; S346-K348 PolarHBondContact O-N 3.22Å; K348-E351 PolarHBondContact O-N 3.17Å; K348-E352 PolarHBondContact O-N 3.19Å; K348-E352 VanDerWaalsContact O-N 3.07Å |
| 349 | L | 86.7 | Confident | 85.8 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 174 | -178.2 | 62.5 | 0 | 0 | 0 | 111.8 | W5 L22 I26 L339 T341 R345 S346 K347 E352 L353 | W5-L349 HydrophobicContact CE3-CD2 4.02Å; W5-L349 HydrophobicContact CE3-CG 4.38Å; W5-L349 HydrophobicContact CZ3-CB 4.28Å; W5-L349 HydrophobicContact CZ3-CD2 4.03Å; W5-L349 HydrophobicContact CZ3-CG 4Å; L22-L349 HydrophobicContact CD1-CD1 4.24Å; I26-L349 HydrophobicContact CD1-CD1 4.47Å; I26-L349 HydrophobicContact CG1-CD1 4.41Å; L339-L349 HydrophobicContact CD1-CD2 4.42Å; T341-L349 HydrophobicContact CG2-CD2 4.01Å; R345-L349 PolarHBondContact O-N 3.06Å; R345-L349 VanDerWaalsContact O-N 3.08Å; S346-L349 PolarHBondContact O-N 2.94Å; K347-L349 PolarHBondContact O-N 3.49Å; L349-E352 PolarHBondContact O-N 3.2Å; L349-L353 HydrophobicContact CD1-CD1 4.4Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.05Å; L349-L353 HydrophobicContact CG-CG 4.42Å; L349-L353 WeakPolarHBondContact O-CB 3.35Å; L349-L353 VanDerWaalsContact O-CG 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 2.99Å |
| 350 | K | 87.3 | Confident | 85.5 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 175.3 | -164.9 | 168.9 | -179.3 | 167.9 | 0 | 110.9 | W5 S346 K347 L353 S354 E380 | W5-K350 HydrophobicContact CH2-CB 3.95Å; W5-K350 HydrophobicContact CZ3-CB 4.16Å; S346-K350 PolarHBondContact O-N 2.65Å; K347-K350 WeakPolarHBondContact O-CB 2.99Å; K347-K350 PolarHBondContact O-N 3.4Å; K350-L353 PolarHBondContact O-N 3.18Å; K350-S354 WeakPolarHBondContact O-CB 3.39Å; K350-S354 PolarHBondContact O-N 3.29Å; K350-S354 PolarHBondContact O-OG 3.05Å; K350-E380 VanDerWaalsContact NZ-CD 3.29Å; K350-E380 IonicContact NZ-OE1 2.87Å; K350-E380 PolarHBondContact NZ-OE1 2.86Å; K350-E380 IonicContact NZ-OE2 3.29Å; K350-E380 PolarHBondContact NZ-OE2 3.24Å |
| 351 | E | 88 | Confident | 85.1 | Confident | 112 Ų | 112 | 65.6 Ų | 65.6 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 176.6 | -72 | 165.8 | -171.9 | 0 | 0 | 112.1 | K347 K348 S354 S355 | K347-E351 WeakPolarHBondContact CE-OE1 3.18Å; K347-E351 WeakPolarHBondContact O-CG 3.09Å; K347-E351 PolarHBondContact O-N 3.38Å; K348-E351 PolarHBondContact O-N 3.17Å; E351-S354 PolarHBondContact O-N 3.01Å; E351-S355 PolarHBondContact O-N 3.1Å |
| 352 | E | 88.6 | Confident | 84.2 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 177 | -175.5 | 71.5 | -171.7 | 0 | 0 | 111.9 | L22 T25 K348 L349 S354 S355 L356 | L22-E352 HydrophobicContact CD1-CG 4.49Å; T25-E352 HydrophobicContact CG2-CG 4.19Å; T25-E352 PolarHBondContact OG1-OE1 2.64Å; K348-E352 PolarHBondContact O-N 3.19Å; K348-E352 VanDerWaalsContact O-N 3.07Å; L349-E352 PolarHBondContact O-N 3.2Å; E352-S354 PolarHBondContact O-N 2.88Å; E352-S355 PolarHBondContact O-N 3.3Å; E352-L356 HydrophobicContact CG-CD1 3.96Å; E352-L356 HydrophobicContact CG-CG 4.5Å; E352-L356 WeakPolarHBondContact O-CB 3.47Å; E352-L356 WeakPolarHBondContact O-CG 3.35Å; E352-L356 PolarHBondContact O-N 3.15Å |
| 353 | L | 88.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.7 | -73.5 | 170.2 | 0 | 0 | 0 | 111.6 | W5 I7 L22 L339 L349 K350 S355 L356 F357 Y384 | W5-L353 HydrophobicContact CE3-CD1 3.88Å; W5-L353 HydrophobicContact CZ3-CD1 3.93Å; I7-L353 HydrophobicContact CD1-CD2 4.13Å; L22-L353 HydrophobicContact CD1-CD2 3.7Å; L22-L353 HydrophobicContact CD1-CG 4.36Å; L22-L353 HydrophobicContact CD2-CD2 3.54Å; L22-L353 HydrophobicContact CG-CD2 4.26Å; L339-L353 HydrophobicContact CD1-CD1 3.83Å; L339-L353 HydrophobicContact CD1-CD2 4.06Å; L339-L353 HydrophobicContact CD1-CG 4.5Å; L349-L353 HydrophobicContact CD1-CD1 4.4Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.05Å; L349-L353 HydrophobicContact CG-CG 4.42Å; L349-L353 WeakPolarHBondContact O-CB 3.35Å; L349-L353 VanDerWaalsContact O-CG 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 2.99Å; K350-L353 PolarHBondContact O-N 3.18Å; L353-S355 VanDerWaalsContact C-N 3.31Å; L353-S355 PolarHBondContact O-N 2.91Å; L353-L356 PolarHBondContact O-N 2.94Å; L353-F357 HydrophobicContact CD2-CD2 4.19Å; L353-F357 HydrophobicContact CD2-CE2 3.85Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.26Å; L353-Y384 HydrophobicContact CB-CE1 3.71Å; L353-Y384 HydrophobicContact CB-CE2 4.26Å; L353-Y384 VanDerWaalsContact CB-CZ 3.49Å; L353-Y384 VanDerWaalsContact CB-OH 3.24Å; L353-Y384 WeakPolarHBondContact CB-OH 3.27Å; L353-Y384 HydrophobicContact CD1-CE2 4.14Å |
| 354 | S | 87.9 | Confident | 82.5 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 176.2 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | K350 E351 E352 V358 | K350-S354 WeakPolarHBondContact O-CB 3.39Å; K350-S354 PolarHBondContact O-N 3.29Å; K350-S354 PolarHBondContact O-OG 3.05Å; E351-S354 PolarHBondContact O-N 3.01Å; E352-S354 PolarHBondContact O-N 2.88Å; S354-V358 WeakPolarHBondContact O-CB 3.45Å; S354-V358 PolarHBondContact O-N 3.23Å; S354-V358 VanDerWaalsContact O-N 3.15Å |
| 355 | S | 89.6 | Confident | 80.8 | Confident | 85 Ų | 85 | 64 Ų | 64 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | E351 E352 L353 | E351-S355 PolarHBondContact O-N 3.1Å; E352-S355 PolarHBondContact O-N 3.3Å; L353-S355 VanDerWaalsContact C-N 3.31Å; L353-S355 PolarHBondContact O-N 2.91Å |
| 356 | L | 88.6 | Confident | 79.2 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.2 | -26.5 | -175.8 | -73.2 | 175 | 0 | 0 | 0 | 114.2 | S18 K21 L22 E352 L353 | S18-L356 WeakPolarHBondContact CB-O 3.33Å; S18-L356 PolarHBondContact OG-O 3.41Å; K21-L356 HydrophobicContact CB-CD2 4.01Å; K21-L356 HydrophobicContact CD-CD2 4.18Å; L22-L356 HydrophobicContact CB-CD1 3.76Å; L22-L356 HydrophobicContact CD1-CD1 4.06Å; L22-L356 HydrophobicContact CG-CD1 4.5Å; E352-L356 HydrophobicContact CG-CD1 3.96Å; E352-L356 HydrophobicContact CG-CG 4.5Å; E352-L356 WeakPolarHBondContact O-CB 3.47Å; E352-L356 WeakPolarHBondContact O-CG 3.35Å; E352-L356 PolarHBondContact O-N 3.15Å; L353-L356 PolarHBondContact O-N 2.94Å |
| 357 | F | 89.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 16.4 | -174.3 | -62.7 | -66.2 | 0 | 0 | 0 | 113.6 | V9 V19 L22 L353 H359 L360 S383 Y384 | V9-F357 HydrophobicContact CB-CE1 4.12Å; V9-F357 HydrophobicContact CG1-CD1 3.87Å; V9-F357 HydrophobicContact CG1-CD2 4.48Å; V9-F357 HydrophobicContact CG1-CE1 3.55Å; V9-F357 HydrophobicContact CG1-CE2 4.2Å; V9-F357 HydrophobicContact CG1-CG 4.35Å; V9-F357 HydrophobicContact CG1-CZ 3.74Å; V19-F357 HydrophobicContact CG2-CE1 4.25Å; V19-F357 HydrophobicContact CG2-CZ 3.9Å; L22-F357 HydrophobicContact CD2-CE2 4.38Å; L353-F357 HydrophobicContact CD2-CD2 4.19Å; L353-F357 HydrophobicContact CD2-CE2 3.85Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.26Å; F357-H359 PolarHBondContact O-N 2.76Å; F357-H359 VanDerWaalsContact O-N 3.17Å; F357-L360 HydrophobicContact CB-CD1 4.14Å; F357-L360 HydrophobicContact CD1-CD1 3.92Å; F357-L360 HydrophobicContact CG-CD1 4.38Å; F357-L360 WeakPolarHBondContact O-CB 3.09Å; F357-L360 PolarHBondContact O-N 2.78Å; F357-S383 WeakPolarHBondContact O-CB 3.33Å; F357-Y384 HydrophobicContact CB-CD1 3.84Å; F357-Y384 HydrophobicContact CB-CG 4.37Å; F357-Y384 HydrophobicContact CD2-CD1 4.26Å; F357-Y384 HydrophobicContact CD2-CG 4.47Å; F357-Y384 HydrophobicContact CG-CD1 4.43Å |
| 358 | V | 88.1 | Confident | 74.7 | Confident | 80 Ų | 80 | 75 Ų | 75 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -57 | -30.3 | 177.7 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | S354 L360 D361 | S354-V358 WeakPolarHBondContact O-CB 3.45Å; S354-V358 PolarHBondContact O-N 3.23Å; S354-V358 VanDerWaalsContact O-N 3.15Å; V358-L360 PolarHBondContact O-N 3.42Å; V358-D361 VanDerWaalsContact O-CB 3.27Å; V358-D361 WeakPolarHBondContact O-CB 3.16Å; V358-D361 PolarHBondContact O-N 2.9Å; V358-D361 VanDerWaalsContact O-N 3.1Å |
| 359 | H | 85.1 | Confident | 72.2 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 37% | 0.366 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -66.4 | -15.1 | 178.8 | 67.1 | -76.8 | 0 | 0 | 0 | 113.8 | S15 F357 D361 | S15-H359 PolarHBondContact OG-NE2 2.88Å; S15-H359 VanDerWaalsContact OG-NE2 3.08Å; F357-H359 PolarHBondContact O-N 2.76Å; F357-H359 VanDerWaalsContact O-N 3.17Å; H359-D361 VanDerWaalsContact C-N 3.3Å |
| 360 | L | 85.3 | Confident | 69.5 | Low | 26 Ų | 26 | 79.1 Ų | 79.1 | 14% | 0.136 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -88 | 1.3 | 176.4 | -60.7 | -178.9 | 0 | 0 | 0 | 112.9 | P10 F357 V358 P362 S383 | P10-L360 HydrophobicContact CG-CD1 4.18Å; P10-L360 HydrophobicContact CG-CD2 3.51Å; F357-L360 HydrophobicContact CB-CD1 4.14Å; F357-L360 HydrophobicContact CD1-CD1 3.92Å; F357-L360 HydrophobicContact CG-CD1 4.38Å; F357-L360 WeakPolarHBondContact O-CB 3.09Å; F357-L360 PolarHBondContact O-N 2.78Å; V358-L360 PolarHBondContact O-N 3.42Å; L360-P362 WeakPolarHBondContact O-CD 3.5Å; L360-S383 CarbonylContact C-O 3.57Å; L360-S383 WeakPolarHBondContact CB-O 3.4Å |
| 361 | D | 80.1 | Confident | 67 | Low | 29 Ų | 29 | 80.9 Ų | 80.9 | 16% | 0.155 | 46% | 0.462 | C | S | . | . | trans | -79.5 | 108.9 | 175.9 | -167.3 | -13.7 | 0 | 0 | 0 | 111 | V358 H359 T363 A364 Y381 | V358-D361 VanDerWaalsContact O-CB 3.27Å; V358-D361 WeakPolarHBondContact O-CB 3.16Å; V358-D361 PolarHBondContact O-N 2.9Å; V358-D361 VanDerWaalsContact O-N 3.1Å; H359-D361 VanDerWaalsContact C-N 3.3Å; D361-T363 VanDerWaalsContact CG-OG1 3.24Å; D361-T363 PolarHBondContact O-N 3.33Å; D361-T363 WeakPolarHBondContact OD1-CB 3.39Å; D361-T363 PolarHBondContact OD1-N 3.12Å; D361-T363 PolarHBondContact OD1-OG1 2.84Å; D361-T363 PolarHBondContact OD2-OG1 3.2Å; D361-A364 HydrophobicContact CB-CB 4.05Å; D361-A364 WeakPolarHBondContact O-CB 3.39Å; D361-A364 PolarHBondContact O-N 2.95Å; D361-A364 VanDerWaalsContact O-N 3.1Å; D361-Y381 WeakPolarHBondContact OD1-CE1 3.47Å; D361-Y381 PolarHBondContact OD1-OH 3.41Å | ||
| 362 | P | 66.3 | Low | 64.5 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 56% | 0.558 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -61.9 | -22.8 | 175.8 | 24.2 | -34.5 | 0 | 0 | 0 | 113.1 | L360 Y381 | L360-P362 WeakPolarHBondContact O-CD 3.5Å; P362-Y381 VanDerWaalsContact CD-OH 3.26Å; P362-Y381 WeakPolarHBondContact CD-OH 3.39Å; P362-Y381 WeakPolarHBondContact CG-OH 3.36Å |
| 363 | T | 65.4 | Low | 62 | Low | 69 Ų | 69 | 86 Ų | 86 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -82.7 | -11.7 | 177.6 | 66 | 0 | 0 | 0 | 0 | 113.6 | D361 S365 M366 K367 | D361-T363 VanDerWaalsContact CG-OG1 3.24Å; D361-T363 PolarHBondContact O-N 3.33Å; D361-T363 WeakPolarHBondContact OD1-CB 3.39Å; D361-T363 PolarHBondContact OD1-N 3.12Å; D361-T363 PolarHBondContact OD1-OG1 2.84Å; D361-T363 PolarHBondContact OD2-OG1 3.2Å; T363-S365 PolarHBondContact O-N 3.37Å; T363-M366 CarbonylContact O-C 3.58Å; T363-M366 PolarHBondContact O-N 3Å; T363-K367 PolarHBondContact O-N 3Å |
| 364 | A | 54.7 | Low | 59.2 | Low | 51 Ų | 51 | 92.1 Ų | 92.1 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -63 | -28.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D361 | D361-A364 HydrophobicContact CB-CB 4.05Å; D361-A364 WeakPolarHBondContact O-CB 3.39Å; D361-A364 PolarHBondContact O-N 2.95Å; D361-A364 VanDerWaalsContact O-N 3.1Å |
| 365 | S | 44.7 | Very low | 56.9 | Low | 119 Ų | 119 | 93.8 Ų | 93.8 | 83% | 0.832 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -85.3 | -13.9 | 170.7 | -68.1 | 0 | 0 | 0 | 0 | 114.1 | T363 | T363-S365 PolarHBondContact O-N 3.37Š|
| 366 | M | 44.2 | Very low | 54.3 | Low | 136 Ų | 136 | 97.6 Ų | 97.6 | 67% | 0.67 | 57% | 0.57 | S | S | * | * | trans | -102.4 | 11.4 | -178.5 | -67.8 | -153.3 | 169.3 | 0 | 0 | 114.2 | T363 E368 V369 | T363-M366 CarbonylContact O-C 3.58Å; T363-M366 PolarHBondContact O-N 3Å; M366-E368 PolarHBondContact O-N 3.4Å; M366-V369 PolarHBondContact O-N 3.02Å | ||
| 367 | K | 39 | Very low | 51.7 | Low | 190 Ų | 190 | 101.8 Ų | 101.8 | 83% | 0.826 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -2.7 | 176.1 | -89.5 | -175.4 | 175.1 | 179.5 | 0 | 115.4 | T363 | T363-K367 PolarHBondContact O-N 3Š|
| 368 | E | 35.7 | Very low | 49 | Very low | 195 Ų | 195 | 111.4 Ų | 111.4 | 91% | 0.911 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -7.7 | 171.4 | -79.2 | -171.2 | 161.4 | 0 | 0 | 115.2 | M366 | M366-E368 PolarHBondContact O-N 3.4Š|
| 369 | V | 34.7 | Very low | 46.8 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -129.7 | 97.3 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | M366 C371 | M366-V369 PolarHBondContact O-N 3.02Å; V369-C371 PolarHBondContact O-N 3.36Å; V369-C371 VanDerWaalsContact O-N 3.15Å |
| 370 | S | 29.1 | Very low | 45.2 | Very low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -64 | 108.1 | 170.7 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 371 | C | 34.3 | Very low | 44.2 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | trans | -100.3 | 90.4 | 163.9 | -74.4 | 0 | 0 | 0 | 0 | 109.3 | V369 I373 | V369-C371 PolarHBondContact O-N 3.36Å; V369-C371 VanDerWaalsContact O-N 3.15Å; C371-I373 PolarHBondContact O-N 3.07Å; C371-I373 VanDerWaalsContact O-N 3.16Å | ||
| 372 | D | 36.3 | Very low | 43.8 | Very low | 150 Ų | 150 | 121 Ų | 121 | 80% | 0.802 | 68% | 0.681 | S | S | * | * | trans | -74.7 | 90.6 | 164.9 | -73.5 | -42.2 | 0 | 0 | 0 | 109.2 | ||||
| 373 | I | 35.1 | Very low | 44.5 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | trans | -112.2 | 105.6 | 165.8 | -54.6 | 180 | 0 | 0 | 0 | 108.5 | C371 G375 | C371-I373 PolarHBondContact O-N 3.07Å; C371-I373 VanDerWaalsContact O-N 3.16Å; I373-G375 PolarHBondContact O-N 3.35Å | ||
| 374 | P | 30.4 | Very low | 45.4 | Very low | 129 Ų | 129 | 114.5 Ų | 114.5 | 84% | 0.838 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 123.5 | 177.3 | -16.9 | 30.2 | 0 | 0 | 0 | 111.2 | ||
| 375 | G | 39.7 | Very low | 47.1 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 85% | 0.845 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.4 | -14.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | I373 | I373-G375 PolarHBondContact O-N 3.35Š|
| 376 | L | 34.9 | Very low | 49.3 | Very low | 165 Ų | 165 | 108 Ų | 108 | 86% | 0.864 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -93.7 | -10.1 | -178.1 | -147.2 | 73.6 | 0 | 0 | 0 | 114 | ||
| 377 | C | 34.1 | Very low | 51.5 | Low | 109 Ų | 109 | 102.5 Ų | 102.5 | 74% | 0.736 | 56% | 0.563 | S | S | * | * | trans | -115.5 | 75.5 | -167.7 | -133.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 378 | Q | 31.9 | Very low | 54 | Low | 201 Ų | 201 | 97.2 Ų | 97.2 | 94% | 0.939 | 54% | 0.541 | S | S | * | . | trans | -127.3 | 8.6 | 163.1 | -78.8 | -170.3 | -5 | 0 | 0 | 113.1 | ||||
| 379 | Q | 42.6 | Very low | 56.6 | Low | 144 Ų | 144 | 88 Ų | 88 | 67% | 0.673 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -94.6 | 135.5 | 166.6 | -73.6 | -177.4 | -13.5 | 0 | 0 | 108.8 | Y381 | Q379-Y381 VanDerWaalsContact C-N 3.3Å; Q379-Y381 PolarHBondContact O-N 3.36Å |
| 380 | E | 50.4 | Low | 58.9 | Low | 134 Ų | 134 | 84 Ų | 84 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | trans | -58.7 | 92.5 | 174 | -73 | -165.8 | 133.1 | 0 | 0 | 109.7 | K350 S382 | K350-E380 VanDerWaalsContact NZ-CD 3.29Å; K350-E380 IonicContact NZ-OE1 2.87Å; K350-E380 PolarHBondContact NZ-OE1 2.86Å; K350-E380 IonicContact NZ-OE2 3.29Å; K350-E380 PolarHBondContact NZ-OE2 3.24Å; E380-S382 PolarHBondContact O-N 3.38Å | ||
| 381 | Y | 64.6 | Low | 61.3 | Low | 118 Ų | 118 | 79.1 Ų | 79.1 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | trans | -67.7 | 121.8 | 178.5 | -178.2 | -96.9 | 0 | 0 | 0 | 109.5 | D361 P362 Q379 | D361-Y381 WeakPolarHBondContact OD1-CE1 3.47Å; D361-Y381 PolarHBondContact OD1-OH 3.41Å; P362-Y381 VanDerWaalsContact CD-OH 3.26Å; P362-Y381 WeakPolarHBondContact CD-OH 3.39Å; P362-Y381 WeakPolarHBondContact CG-OH 3.36Å; Q379-Y381 VanDerWaalsContact C-N 3.3Å; Q379-Y381 PolarHBondContact O-N 3.36Å | ||
| 382 | S | 72.3 | Confident | 63.4 | Low | 20 Ų | 20 | 76.8 Ų | 76.8 | 14% | 0.14 | 43% | 0.429 | C | S | . | . | trans | -125.6 | 144.2 | 175.7 | -62 | 0 | 0 | 0 | 0 | 109.9 | R327 E380 Y384 | R327-S382 PolarHBondContact NH1-O 3.13Å; R327-S382 PolarHBondContact NH2-O 3.05Å; E380-S382 PolarHBondContact O-N 3.38Å; S382-Y384 WeakPolarHBondContact CB-O 3.48Å; S382-Y384 PolarHBondContact O-N 2.59Å; S382-Y384 VanDerWaalsContact O-N 3.1Å | ||
| 383 | S | 79.8 | Confident | 65.4 | Low | 14 Ų | 14 | 70.6 Ų | 70.6 | 10% | 0.098 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -62.8 | -15.2 | 177.6 | -43.6 | 0 | 0 | 0 | 0 | 112.9 | R327 F357 L360 | R327-S383 VanDerWaalsContact CZ-O 3.28Å; R327-S383 PolarHBondContact NH2-O 3.32Å; F357-S383 WeakPolarHBondContact O-CB 3.33Å; L360-S383 CarbonylContact C-O 3.57Å; L360-S383 WeakPolarHBondContact CB-O 3.4Å |
| 384 | Y | 84.6 | Confident | 67.3 | Low | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -123.6 | 163.3 | 174.4 | 54.4 | -83.4 | 0 | 0 | 0 | 110.3 | I7 R327 L353 F357 S382 C386 | I7-Y384 HydrophobicContact CB-CD2 4.44Å; I7-Y384 HydrophobicContact CG2-CD2 4.13Å; I7-Y384 HydrophobicContact CG2-CE2 4.06Å; R327-Y384 VanDerWaalsContact NH1-C 3.31Å; R327-Y384 PolarHBondContact NH1-O 2.9Å; L353-Y384 HydrophobicContact CB-CE1 3.71Å; L353-Y384 HydrophobicContact CB-CE2 4.26Å; L353-Y384 VanDerWaalsContact CB-CZ 3.49Å; L353-Y384 VanDerWaalsContact CB-OH 3.24Å; L353-Y384 WeakPolarHBondContact CB-OH 3.27Å; L353-Y384 HydrophobicContact CD1-CE2 4.14Å; F357-Y384 HydrophobicContact CB-CD1 3.84Å; F357-Y384 HydrophobicContact CB-CG 4.37Å; F357-Y384 HydrophobicContact CD2-CD1 4.26Å; F357-Y384 HydrophobicContact CD2-CG 4.47Å; F357-Y384 HydrophobicContact CG-CD1 4.43Å; S382-Y384 WeakPolarHBondContact CB-O 3.48Å; S382-Y384 PolarHBondContact O-N 2.59Å; S382-Y384 VanDerWaalsContact O-N 3.1Å; Y384-C386 HydrophobicContact CD2-CB 3.98Å; Y384-C386 HydrophobicContact CE2-CB 3.71Å |
| 385 | I | 89.8 | Confident | 69.3 | Low | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 128.3 | 174.9 | -61.9 | 165.7 | 0 | 0 | 0 | 108.1 | I7 S8 E323 S324 R327 Y328 F387 | I7-I385 CarbonylContact C-O 3.58Å; I7-I385 WeakPolarHBondContact CA-O 3.3Å; S8-I385 PolarHBondContact N-O 2.85Å; E323-I385 VanDerWaalsContact C-CD1 3.46Å; E323-I385 HydrophobicContact CB-CD1 3.96Å; E323-I385 HydrophobicContact CB-CG1 4.44Å; E323-I385 HydrophobicContact CB-CG2 4.11Å; E323-I385 HydrophobicContact CG-CB 4.46Å; E323-I385 HydrophobicContact CG-CD1 3.74Å; E323-I385 HydrophobicContact CG-CG1 3.77Å; E323-I385 HydrophobicContact CG-CG2 3.88Å; E323-I385 WeakPolarHBondContact O-CD1 3.43Å; S324-I385 VanDerWaalsContact CA-CD1 3.48Å; R327-I385 HydrophobicContact CB-CD1 4.17Å; Y328-I385 HydrophobicContact CE2-CD1 3.76Å; I385-F387 HydrophobicContact CG2-CD2 4.15Å; I385-F387 HydrophobicContact CG2-CE2 3.55Å; I385-F387 HydrophobicContact CG2-CZ 4.07Å |
| 386 | C | 90.9 | Very high | 70.3 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 125.6 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | L6 I7 Y384 | L6-C386 WeakPolarHBondContact O-CA 3.38Å; I7-C386 HydrophobicContact CG2-CB 4.23Å; Y384-C386 HydrophobicContact CD2-CB 3.98Å; Y384-C386 HydrophobicContact CE2-CB 3.71Å |
| 387 | F | 92.1 | Very high | 71.1 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.6 | 170.1 | -61.5 | -67 | 0 | 0 | 0 | 110.6 | L6 K316 R319 V320 E323 I385 | L6-F387 PolarHBondContact N-O 2.86Å; L6-F387 PolarHBondContact O-N 2.79Å; K316-F387 HydrophobicContact CD-CB 4.36Å; R319-F387 HydrophobicContact CB-CD2 4.43Å; R319-F387 HydrophobicContact CB-CE1 4.46Å; R319-F387 HydrophobicContact CB-CE2 3.94Å; R319-F387 HydrophobicContact CB-CZ 3.95Å; R319-F387 VanDerWaalsContact NH2-CE1 3.28Å; V320-F387 HydrophobicContact CB-CE2 4.46Å; V320-F387 HydrophobicContact CG2-CD2 3.5Å; V320-F387 VanDerWaalsContact CG2-CD2 3.5Å; V320-F387 HydrophobicContact CG2-CE2 3.81Å; E323-F387 HydrophobicContact CB-CE2 4.39Å; E323-F387 HydrophobicContact CB-CZ 4.15Å; E323-F387 HydrophobicContact CG-CZ 4.3Å; I385-F387 HydrophobicContact CG2-CD2 4.15Å; I385-F387 HydrophobicContact CG2-CE2 3.55Å; I385-F387 HydrophobicContact CG2-CZ 4.07Å |
| 388 | H | 90.6 | Very high | 71.6 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 139.1 | 176 | -63.2 | -69.8 | 0 | 0 | 0 | 111.3 | W5 K316 | W5-H388 AromaticContact CD1-CE1 3.75Å; W5-H388 AromaticContact CD1-ND1 3.13Å; W5-H388 AromaticContact CD2-CE1 3.79Å; W5-H388 AromaticContact CD2-ND1 3.96Å; W5-H388 AromaticContact CE2-CE1 3.52Å; W5-H388 AromaticContact CE2-ND1 3.65Å; W5-H388 AromaticContact CG-CE1 3.92Å; W5-H388 AromaticContact CG-ND1 3.64Å; W5-H388 AromaticContact CZ2-CE1 3.95Å; W5-H388 AromaticContact NE1-CE1 3.53Å; W5-H388 AromaticContact NE1-ND1 3.16Å; W5-H388 PolarHBondContact NE1-ND1 3.46Å; W5-H388 VanDerWaalsContact NE1-ND1 3.16Å; K316-H388 PolarHBondContact NZ-O 3.16Å |
| 389 | I | 90.1 | Very high | 71.9 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 93.9 | 172.3 | -58.7 | 167.7 | 0 | 0 | 0 | 106.2 | F4 L6 W312 I313 K316 | F4-I389 HydrophobicContact CB-CB 3.97Å; F4-I389 HydrophobicContact CB-CG2 4.49Å; F4-I389 PolarHBondContact N-O 3.21Å; F4-I389 PolarHBondContact O-N 2.93Å; L6-I389 HydrophobicContact CB-CD1 4.31Å; W312-I389 HydrophobicContact CE3-CG2 4.49Å; W312-I389 HydrophobicContact CH2-CG2 4.06Å; W312-I389 HydrophobicContact CZ3-CG2 3.75Å; I313-I389 HydrophobicContact CD1-CD1 4.05Å; I313-I389 HydrophobicContact CD1-CG2 4.07Å; K316-I389 HydrophobicContact CD-CG1 4.44Å; K316-I389 HydrophobicContact CG-CD1 4.44Å; K316-I389 HydrophobicContact CG-CG1 4.21Å |
| 390 | G | 82.8 | Confident | 71.2 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 24% | 0.237 | 30% | 0.297 | C | S | . | . | trans | -75 | 131.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | M393 | G390-M393 VanDerWaalsContact O-SD 3.39Š| ||
| 391 | T | 80.8 | Confident | 70.3 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | trans | -113.3 | 10.8 | 177.3 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | A2 F4 M120 M393 L394 | A2-T391 PolarHBondContact O-OG1 3.38Å; F4-T391 HydrophobicContact CD2-CG2 3.95Å; F4-T391 HydrophobicContact CE2-CG2 4.21Å; M120-T391 HydrophobicContact CE-CG2 3.82Å; M120-T391 HydrophobicContact SD-CG2 4.42Å; T391-M393 PolarHBondContact O-N 3.25Å; T391-M393 VanDerWaalsContact O-N 3.17Å; T391-L394 PolarHBondContact O-N 2.8Å; T391-L394 VanDerWaalsContact O-N 3.16Å | ||
| 392 | S | 77.6 | Confident | 68.7 | Low | 54 Ų | 54 | 57.5 Ų | 57.5 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -60.8 | -25.3 | -176.9 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | L394 E395 | S392-L394 PolarHBondContact O-N 2.95Å; S392-E395 WeakPolarHBondContact O-CB 3.32Å; S392-E395 PolarHBondContact O-N 3.23Å; S392-E395 VanDerWaalsContact O-N 3.17Å |
| 393 | M | 79.1 | Confident | 68.5 | Low | 20 Ų | 20 | 59.4 Ų | 59.4 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -63.4 | -22 | 178.1 | 65.5 | -73 | -178.8 | 0 | 0 | 113.5 | I68 K69 C72 K76 F309 G390 T391 E395 | I68-M393 HydrophobicContact CG2-CE 3.99Å; I68-M393 HydrophobicContact CG2-CG 4.35Å; K69-M393 HydrophobicContact CG-CB 4.37Å; C72-M393 HydrophobicContact CB-CB 4.48Å; C72-M393 PolarHBondContact SG-O 2.79Å; K76-M393 PolarHBondContact NZ-O 2.84Å; K76-M393 VanDerWaalsContact NZ-O 3.1Å; F309-M393 HydrophobicContact CD2-CE 4.12Å; F309-M393 HydrophobicContact CE2-CE 3.68Å; G390-M393 VanDerWaalsContact O-SD 3.39Å; T391-M393 PolarHBondContact O-N 3.25Å; T391-M393 VanDerWaalsContact O-N 3.17Å; M393-E395 PolarHBondContact O-N 2.98Å |
| 394 | L | 74.8 | Confident | 67.9 | Low | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -81.6 | -0.3 | 179.9 | -62.5 | 171.8 | 0 | 0 | 0 | 113.1 | L115 R116 L119 F305 T391 S392 | L115-L394 HydrophobicContact CD2-CD2 3.94Å; L115-L394 HydrophobicContact CG-CD2 4.3Å; R116-L394 HydrophobicContact CB-CD1 4.37Å; R116-L394 HydrophobicContact CG-CD1 4.46Å; L119-L394 HydrophobicContact CD1-CD1 3.85Å; L119-L394 HydrophobicContact CD1-CD2 4.37Å; F305-L394 HydrophobicContact CE1-CD2 3.85Å; F305-L394 HydrophobicContact CZ-CD2 3.61Å; T391-L394 PolarHBondContact O-N 2.8Å; T391-L394 VanDerWaalsContact O-N 3.16Å; S392-L394 PolarHBondContact O-N 2.95Å |
| 395 | E | 72.1 | Confident | 67 | Low | 63 Ų | 63 | 64.9 Ų | 64.9 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | trans | -85 | 146.7 | -179.7 | -60.5 | -173.1 | 161.9 | 0 | 0 | 111.6 | K76 S392 M393 | K76-E395 WeakPolarHBondContact CE-O 3.4Å; K76-E395 PolarHBondContact NZ-O 3.07Å; S392-E395 WeakPolarHBondContact O-CB 3.32Å; S392-E395 PolarHBondContact O-N 3.23Å; S392-E395 VanDerWaalsContact O-N 3.17Å; M393-E395 PolarHBondContact O-N 2.98Å | ||
| 396 | I | 60.8 | Low | 65.7 | Low | 61 Ų | 61 | 68.5 Ų | 68.5 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | trans | -105.7 | 116.5 | 166.3 | -59.4 | 162.1 | 0 | 0 | 0 | 104.5 | L108 K109 L112 E398 | L108-I396 HydrophobicContact CD2-CD1 3.49Å; L108-I396 VanDerWaalsContact CD2-CD1 3.49Å; L108-I396 HydrophobicContact CD2-CG1 3.78Å; K109-I396 HydrophobicContact CB-CD1 3.54Å; K109-I396 HydrophobicContact CD-CD1 4.37Å; K109-I396 HydrophobicContact CG-CD1 3.7Å; L112-I396 HydrophobicContact CB-CD1 4.43Å; L112-I396 HydrophobicContact CD1-CD1 3.93Å; L112-I396 HydrophobicContact CD1-CG1 3.6Å; I396-E398 PolarHBondContact O-N 3.47Å; I396-E398 VanDerWaalsContact O-N 3.08Å | ||
| 397 | S | 52.1 | Low | 64.1 | Low | 111 Ų | 111 | 70.9 Ų | 70.9 | 78% | 0.776 | 42% | 0.424 | S | S | * | . | trans | -58.4 | 113.8 | 171.6 | -39.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 398 | E | 43.4 | Very low | 62.2 | Low | 141 Ų | 141 | 74.3 Ų | 74.3 | 66% | 0.659 | 45% | 0.446 | S | S | * | . | trans | -67.1 | 128.8 | 163.6 | -68.1 | -170.5 | 158.8 | 0 | 0 | 106.2 | K109 I396 S400 | K109-E398 IonicContact NZ-OE1 2.7Å; K109-E398 PolarHBondContact NZ-OE1 3.11Å; I396-E398 PolarHBondContact O-N 3.47Å; I396-E398 VanDerWaalsContact O-N 3.08Å; E398-S400 PolarHBondContact O-N 3.1Å | ||
| 399 | P | 37.8 | Very low | 60.2 | Low | 114 Ų | 114 | 74 Ų | 74 | 74% | 0.74 | 45% | 0.452 | S | S | * | . | trans | -57.4 | 120.6 | 171.8 | 23.4 | -29.7 | 0 | 0 | 0 | 106.1 | T401 | P399-T401 PolarHBondContact O-N 3.15Š| ||
| 400 | S | 27.9 | Very low | 57.9 | Low | 96 Ų | 96 | 79.6 Ų | 79.6 | 67% | 0.671 | 49% | 0.486 | S | S | * | . | trans | -54.6 | 106.3 | 171.5 | 48.9 | 0 | 0 | 0 | 0 | 106.9 | E398 T402 | E398-S400 PolarHBondContact O-N 3.1Å; S400-T402 PolarHBondContact O-N 3.33Å | ||
| 401 | T | 31.9 | Very low | 55.8 | Low | 149 Ų | 149 | 84.3 Ų | 84.3 | 91% | 0.914 | 51% | 0.507 | S | S | * | . | trans | -63.1 | 91.2 | 162.9 | 31.4 | 0 | 0 | 0 | 0 | 106.6 | P399 | P399-T401 PolarHBondContact O-N 3.15Š| ||
| 402 | T | 31.9 | Very low | 53.6 | Low | 194 Ų | 194 | 91.7 Ų | 91.7 | 100% | 1.19 | 55% | 0.551 | S | S | * | * | trans | -100.5 | 0 | 159.5 | 46.8 | 0 | 0 | 0 | 0 | 108.5 | S400 | S400-T402 PolarHBondContact O-N 3.33Š|
Retrieved 402 of 402 residues in 268.1 ms
(Link to these results)