| 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 | 38.1 | Very low | 74 | Confident | 245 Ų | 245 | 103.1 Ų | 103.1 | 100% | 1.207 | 61% | 0.606 | S | S | * | * | 0 | 116 | 0 | -64.8 | -170.1 | -131.2 | 0 | 0 | 106.2 | S3 | M1-S3 PolarHBondContact O-N 3.08Š| |||
| 2 | A | 37.8 | Very low | 75.9 | Confident | 103 Ų | 103 | 96.2 Ų | 96.2 | 85% | 0.851 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107 | A4 | A2-A4 PolarHBondContact O-N 3.11Å; A2-A4 VanDerWaalsContact O-N 3.09Å |
| 3 | S | 45.1 | Very low | 77.5 | Confident | 110 Ų | 110 | 99.6 Ų | 99.6 | 77% | 0.769 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 118.2 | 168.8 | 172.3 | 0 | 0 | 0 | 0 | 107.2 | M1 A5 | M1-S3 PolarHBondContact O-N 3.08Å; S3-A5 PolarHBondContact O-N 3.2Å |
| 4 | A | 58.3 | Low | 78.7 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 69% | 0.694 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 133 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | A2 Q6 | A2-A4 PolarHBondContact O-N 3.11Å; A2-A4 VanDerWaalsContact O-N 3.09Å; A4-Q6 PolarHBondContact O-N 3.35Å |
| 5 | A | 67.6 | Low | 80 | Confident | 98 Ų | 98 | 96.8 Ų | 96.8 | 81% | 0.81 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 125.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | S3 | S3-A5 PolarHBondContact O-N 3.2Š|
| 6 | Q | 82.4 | Confident | 81.2 | Confident | 125 Ų | 125 | 93.3 Ų | 93.3 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 139 | 178.6 | -72.7 | -166.2 | -15 | 0 | 0 | 109.6 | A4 I8 S19 | A4-Q6 PolarHBondContact O-N 3.35Å; Q6-I8 PolarHBondContact O-N 2.85Å; Q6-S19 PolarHBondContact OE1-OG 3.2Å |
| 7 | P | 93.4 | Very high | 82.2 | Confident | 42 Ų | 42 | 96.8 Ų | 96.8 | 27% | 0.273 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 133.7 | 176.4 | -23 | 34.5 | 0 | 0 | 0 | 110.8 | A20 E119 K120 A122 | P7-A20 HydrophobicContact CB-CB 4.05Å; P7-A20 WeakPolarHBondContact O-CB 3.46Å; P7-A20 PolarHBondContact O-N 3.47Å; P7-E119 WeakPolarHBondContact CB-O 3.33Å; P7-E119 WeakPolarHBondContact CG-O 3.41Å; P7-K120 WeakPolarHBondContact CB-O 3.4Å; P7-A122 HydrophobicContact CG-CB 4.1Å |
| 8 | I | 97.2 | Very high | 83.1 | Confident | 83 Ų | 83 | 91.7 Ų | 91.7 | 43% | 0.426 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.4 | -178.5 | 58.6 | 171.8 | 0 | 0 | 0 | 110.8 | Q6 W10 R17 V18 | Q6-I8 PolarHBondContact O-N 2.85Å; I8-W10 HydrophobicContact CD1-CB 4.19Å; I8-R17 HydrophobicContact CD1-CB 4.09Å; I8-R17 HydrophobicContact CD1-CG 3.9Å; I8-V18 CarbonylContact C-O 3.49Å; I8-V18 WeakPolarHBondContact CA-O 3.47Å |
| 9 | Y | 98.2 | Very high | 83.9 | Confident | 55 Ų | 55 | 88.2 Ų | 88.2 | 22% | 0.216 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.6 | 157.9 | 176.5 | -90.6 | 0 | 0 | 0 | 109 | L11 R17 V18 T78 Y281 Y282 | Y9-L11 HydrophobicContact CE1-CD1 4.4Å; Y9-L11 HydrophobicContact CE1-CG 4.09Å; Y9-L11 WeakPolarHBondContact OH-CD1 3.42Å; Y9-R17 WeakPolarHBondContact O-CA 3.43Å; Y9-V18 PolarHBondContact N-O 3.26Å; Y9-V18 PolarHBondContact O-N 3.29Å; Y9-T78 HydrophobicContact CE2-CG2 4.32Å; Y9-Y281 HydrophobicContact CD1-CE1 4.14Å; Y9-Y281 AromaticContact CE1-CE1 3.97Å; Y9-Y281 HydrophobicContact CE1-CE1 3.97Å; Y9-Y281 HydrophobicContact CE1-CE2 4.15Å; Y9-Y281 AromaticContact CE1-CZ 3.67Å; Y9-Y282 AromaticContact CD1-CD1 3.5Å; Y9-Y282 HydrophobicContact CD1-CD1 3.5Å; Y9-Y282 HydrophobicContact CD1-CD2 4.3Å; Y9-Y282 AromaticContact CD1-CE1 3.97Å; Y9-Y282 HydrophobicContact CD1-CE1 3.97Å; Y9-Y282 AromaticContact CD1-CG 3.67Å; Y9-Y282 HydrophobicContact CD1-CG 3.67Å; Y9-Y282 HydrophobicContact CD2-CD1 4.2Å; Y9-Y282 AromaticContact CD2-CD2 3.97Å; Y9-Y282 HydrophobicContact CD2-CD2 3.97Å; Y9-Y282 HydrophobicContact CD2-CE1 4.03Å; Y9-Y282 AromaticContact CD2-CE2 3.78Å; Y9-Y282 HydrophobicContact CD2-CE2 3.78Å; Y9-Y282 HydrophobicContact CD2-CG 4.16Å; Y9-Y282 AromaticContact CD2-CZ 3.79Å; Y9-Y282 HydrophobicContact CE1-CD1 4.13Å; Y9-Y282 HydrophobicContact CE1-CD2 4.3Å; Y9-Y282 AromaticContact CE1-CG 3.81Å; Y9-Y282 HydrophobicContact CE1-CG 3.81Å; Y9-Y282 AromaticContact CE2-CD2 3.97Å; Y9-Y282 HydrophobicContact CE2-CD2 3.97Å; Y9-Y282 HydrophobicContact CE2-CE2 4.13Å; Y9-Y282 HydrophobicContact CE2-CG 4.28Å; Y9-Y282 AromaticContact CG-CD1 3.54Å; Y9-Y282 HydrophobicContact CG-CD1 3.54Å; Y9-Y282 HydrophobicContact CG-CD2 4.13Å; Y9-Y282 AromaticContact CG-CE1 3.49Å; Y9-Y282 HydrophobicContact CG-CE1 3.49Å; Y9-Y282 VanDerWaalsContact CG-CE1 3.49Å; Y9-Y282 HydrophobicContact CG-CE2 4.09Å; Y9-Y282 AromaticContact CG-CG 3.85Å; Y9-Y282 HydrophobicContact CG-CG 3.85Å; Y9-Y282 AromaticContact CG-CZ 3.75Å |
| 10 | W | 98.4 | Very high | 84.6 | Confident | 105 Ų | 105 | 84.2 Ų | 84.2 | 40% | 0.398 | 48% | 0.477 | S | S | . | . | trans | -156.4 | 135.7 | 179.7 | -175.2 | 40.6 | 0 | 0 | 0 | 110.3 | I8 G12 T15 R17 | I8-W10 HydrophobicContact CD1-CB 4.19Å; W10-G12 PolarHBondContact NE1-O 3.21Å; W10-G12 VanDerWaalsContact NE1-O 3.08Å; W10-T15 VanDerWaalsContact CD1-O 3.3Å; W10-T15 PolarHBondContact NE1-O 3.16Å; W10-R17 HydrophobicContact CB-CG 4.16Å; W10-R17 HydrophobicContact CD2-CG 4.15Å; W10-R17 HydrophobicContact CG-CG 3.75Å | ||
| 11 | L | 98.1 | Very high | 85.2 | Confident | 84 Ų | 84 | 81.6 Ų | 81.6 | 44% | 0.44 | 47% | 0.466 | S | S | . | . | trans | -102 | 14 | 178.1 | -66.4 | 178.9 | 0 | 0 | 0 | 112.8 | Y9 T15 G235 Y281 | Y9-L11 HydrophobicContact CE1-CD1 4.4Å; Y9-L11 HydrophobicContact CE1-CG 4.09Å; Y9-L11 WeakPolarHBondContact OH-CD1 3.42Å; L11-T15 HydrophobicContact CB-CG2 4.21Å; L11-T15 PolarHBondContact N-OG1 3.11Å; L11-G235 WeakPolarHBondContact CD1-O 3.24Å; L11-Y281 HydrophobicContact CD1-CE2 4.01Å | ||
| 12 | G | 96.6 | Very high | 88.1 | Confident | 20 Ų | 20 | 70 Ų | 70 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 85.3 | -169.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | W10 D14 T15 | W10-G12 PolarHBondContact NE1-O 3.21Å; W10-G12 VanDerWaalsContact NE1-O 3.08Å; G12-D14 PolarHBondContact O-N 3.27Å; G12-T15 WeakPolarHBondContact O-CG2 3.16Å; G12-T15 PolarHBondContact O-N 2.97Å; G12-T15 VanDerWaalsContact O-N 3.11Å; G12-T15 PolarHBondContact O-OG1 3.01Å |
| 13 | N | 95.9 | Very high | 91 | Very high | 141 Ų | 141 | 65.1 Ų | 65.1 | 75% | 0.754 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | -136.2 | 177.6 | -56.3 | -23.8 | 0 | 0 | 0 | 112.5 | T15 | N13-T15 VanDerWaalsContact C-N 3.32Š|
| 14 | D | 94.9 | Very high | 93.6 | Very high | 144 Ų | 144 | 61.6 Ų | 61.6 | 77% | 0.77 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 16.5 | 178.5 | -59.2 | -39.1 | 0 | 0 | 0 | 112.8 | G12 | G12-D14 PolarHBondContact O-N 3.27Š|
| 15 | T | 98.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.08 | 33% | 0.327 | C | S | . | . | trans | -74.2 | 152.8 | 177.9 | 86.8 | 0 | 0 | 0 | 0 | 111.8 | W10 L11 G12 N13 R17 Y197 Y281 | W10-T15 VanDerWaalsContact CD1-O 3.3Å; W10-T15 PolarHBondContact NE1-O 3.16Å; L11-T15 HydrophobicContact CB-CG2 4.21Å; L11-T15 PolarHBondContact N-OG1 3.11Å; G12-T15 WeakPolarHBondContact O-CG2 3.16Å; G12-T15 PolarHBondContact O-N 2.97Å; G12-T15 VanDerWaalsContact O-N 3.11Å; G12-T15 PolarHBondContact O-OG1 3.01Å; N13-T15 VanDerWaalsContact C-N 3.32Å; T15-R17 PolarHBondContact O-N 3.09Å; T15-Y197 VanDerWaalsContact CA-OH 3.25Å; T15-Y197 WeakPolarHBondContact CA-OH 3.36Å; T15-Y197 WeakPolarHBondContact CB-OH 3.41Å; T15-Y281 WeakPolarHBondContact CB-OH 3.29Å; T15-Y281 PolarHBondContact OG1-OH 3.45Å | ||
| 16 | L | 98.6 | Very high | 97 | Very high | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | trans | -64.6 | 136.3 | -177.3 | -176.9 | 67.6 | 0 | 0 | 0 | 111.6 | V18 V194 Y197 Y281 | L16-V18 HydrophobicContact CD2-CG2 3.85Å; L16-V18 HydrophobicContact CG-CG2 4.03Å; L16-V194 HydrophobicContact CD2-CB 4.21Å; L16-V194 HydrophobicContact CD2-CG1 4.32Å; L16-V194 HydrophobicContact CD2-CG2 4.03Å; L16-Y197 HydrophobicContact CB-CD1 4Å; L16-Y197 HydrophobicContact CB-CD2 3.55Å; L16-Y197 HydrophobicContact CB-CE1 4.28Å; L16-Y197 HydrophobicContact CB-CE2 3.81Å; L16-Y197 HydrophobicContact CB-CG 3.63Å; L16-Y197 HydrophobicContact CD2-CG 4.12Å; L16-Y197 HydrophobicContact CG-CG 4.4Å; L16-Y197 VanDerWaalsContact N-CE2 3.34Å; L16-Y281 HydrophobicContact CB-CE1 3.89Å; L16-Y281 PolarHBondContact O-OH 2.89Å | ||
| 17 | R | 98.5 | Very high | 97.8 | Very high | 152 Ų | 152 | 50.5 Ų | 50.5 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | trans | -87.8 | 113.2 | 168.2 | -63.3 | 177.5 | 178.2 | 156.5 | 2 | 108.8 | I8 Y9 W10 T15 | I8-R17 HydrophobicContact CD1-CB 4.09Å; I8-R17 HydrophobicContact CD1-CG 3.9Å; Y9-R17 WeakPolarHBondContact O-CA 3.43Å; W10-R17 HydrophobicContact CB-CG 4.16Å; W10-R17 HydrophobicContact CD2-CG 4.15Å; W10-R17 HydrophobicContact CG-CG 3.75Å; T15-R17 PolarHBondContact O-N 3.09Å | ||
| 18 | V | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.3 | -179.8 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | I8 Y9 L16 L22 V194 Y281 Y282 | I8-V18 CarbonylContact C-O 3.49Å; I8-V18 WeakPolarHBondContact CA-O 3.47Å; Y9-V18 PolarHBondContact N-O 3.26Å; Y9-V18 PolarHBondContact O-N 3.29Å; L16-V18 HydrophobicContact CD2-CG2 3.85Å; L16-V18 HydrophobicContact CG-CG2 4.03Å; V18-L22 HydrophobicContact CG1-CD1 3.84Å; V18-V194 HydrophobicContact CG1-CG2 3.97Å; V18-V194 HydrophobicContact CG2-CG2 3.88Å; V18-Y281 HydrophobicContact CG2-CD1 4.45Å; V18-Y281 HydrophobicContact CG2-CE1 3.92Å; V18-Y282 HydrophobicContact CB-CD1 3.93Å; V18-Y282 HydrophobicContact CB-CE1 4.15Å; V18-Y282 HydrophobicContact CG1-CD1 3.97Å; V18-Y282 HydrophobicContact CG1-CE1 4.07Å; V18-Y282 HydrophobicContact CG2-CD1 4.16Å |
| 19 | S | 98.1 | Very high | 98.1 | Very high | 26 Ų | 26 | 53 Ų | 53 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 137.9 | 179.9 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | Q6 A21 L22 | Q6-S19 PolarHBondContact OE1-OG 3.2Å; S19-A21 PolarHBondContact O-N 2.83Å; S19-A21 VanDerWaalsContact O-N 3.11Å; S19-A21 VanDerWaalsContact OG-CB 3.29Å; S19-A21 WeakPolarHBondContact OG-CB 3.26Å; S19-A21 PolarHBondContact OG-N 3.44Å; S19-A21 VanDerWaalsContact OG-N 3.17Å; S19-L22 VanDerWaalsContact O-CB 3.28Å; S19-L22 WeakPolarHBondContact O-CB 3.22Å; S19-L22 PolarHBondContact O-N 3.38Å |
| 20 | A | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P7 L22 F23 A24 A122 | P7-A20 HydrophobicContact CB-CB 4.05Å; P7-A20 WeakPolarHBondContact O-CB 3.46Å; P7-A20 PolarHBondContact O-N 3.47Å; A20-L22 PolarHBondContact O-N 2.95Å; A20-F23 PolarHBondContact O-N 3.24Å; A20-A24 PolarHBondContact O-N 3.25Å; A20-A122 HydrophobicContact CB-CB 3.83Å |
| 21 | A | 98.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.9 | -27 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S19 F23 A24 E25 M190 | S19-A21 PolarHBondContact O-N 2.83Å; S19-A21 VanDerWaalsContact O-N 3.11Å; S19-A21 VanDerWaalsContact OG-CB 3.29Å; S19-A21 WeakPolarHBondContact OG-CB 3.26Å; S19-A21 PolarHBondContact OG-N 3.44Å; S19-A21 VanDerWaalsContact OG-N 3.17Å; A21-F23 VanDerWaalsContact C-N 3.33Å; A21-F23 PolarHBondContact O-N 3.12Å; A21-A24 PolarHBondContact O-N 3.32Å; A21-E25 PolarHBondContact O-N 2.99Å; A21-M190 HydrophobicContact CB-CE 4.35Å; A21-M190 HydrophobicContact CB-SD 4.14Å |
| 22 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.2 | -53.1 | 173.7 | -174.8 | 166.2 | 0 | 0 | 0 | 110.2 | V18 S19 A20 A24 E25 N26 M190 E191 V194 Y284 | V18-L22 HydrophobicContact CG1-CD1 3.84Å; S19-L22 VanDerWaalsContact O-CB 3.28Å; S19-L22 WeakPolarHBondContact O-CB 3.22Å; S19-L22 PolarHBondContact O-N 3.38Å; A20-L22 PolarHBondContact O-N 2.95Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 3.23Å; L22-E25 PolarHBondContact O-N 3.2Å; L22-N26 WeakPolarHBondContact CD2-ND2 3.39Å; L22-N26 PolarHBondContact O-N 2.96Å; L22-M190 HydrophobicContact CB-CB 3.95Å; L22-M190 HydrophobicContact CB-CE 4.46Å; L22-M190 HydrophobicContact CB-SD 4.06Å; L22-M190 HydrophobicContact CD1-CB 3.96Å; L22-M190 HydrophobicContact CG-CB 3.8Å; L22-M190 PolarHBondContact N-SD 2.92Å; L22-E191 HydrophobicContact CD1-CG 4.15Å; L22-E191 HydrophobicContact CD2-CG 3.91Å; L22-E191 HydrophobicContact CG-CG 4.09Å; L22-V194 HydrophobicContact CD1-CG2 4.03Å; L22-Y284 WeakPolarHBondContact CD2-OH 3.37Å |
| 23 | F | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.9 | -33.1 | -177.4 | -50.1 | -71.3 | 0 | 0 | 0 | 111.6 | A20 A21 N26 R27 H72 G76 Y282 | A20-F23 PolarHBondContact O-N 3.24Å; A21-F23 VanDerWaalsContact C-N 3.33Å; A21-F23 PolarHBondContact O-N 3.12Å; F23-N26 PolarHBondContact O-N 3.44Å; F23-R27 WeakPolarHBondContact O-CG 3.19Å; F23-R27 PolarHBondContact O-N 3.11Å; F23-R27 PolarHBondContact O-NH1 2.91Å; F23-H72 VanDerWaalsContact CD1-O 3.23Å; F23-H72 WeakPolarHBondContact CD1-O 2.85Å; F23-H72 AromaticContact CE1-CE1 3.87Å; F23-H72 AromaticContact CE1-NE2 3.63Å; F23-H72 WeakPolarHBondContact CE1-O 3.4Å; F23-H72 AromaticContact CZ-CE1 3.91Å; F23-H72 AromaticContact CZ-NE2 3.97Å; F23-G76 VanDerWaalsContact CE1-CA 3.46Å; F23-G76 VanDerWaalsContact CZ-CA 3.41Å; F23-Y282 AromaticContact CE2-CE1 3.66Å; F23-Y282 HydrophobicContact CE2-CE1 3.66Å; F23-Y282 AromaticContact CE2-CZ 3.86Å; F23-Y282 HydrophobicContact CZ-CD1 4.22Å; F23-Y282 AromaticContact CZ-CE1 3.53Å; F23-Y282 HydrophobicContact CZ-CE1 3.53Å; F23-Y282 AromaticContact CZ-CZ 3.75Å |
| 24 | A | 98.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A20 A21 L22 N26 R27 Q28 | A20-A24 PolarHBondContact O-N 3.25Å; A21-A24 PolarHBondContact O-N 3.32Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 3.23Å; A24-N26 VanDerWaalsContact C-N 3.34Å; A24-N26 PolarHBondContact O-N 3.43Å; A24-R27 PolarHBondContact O-N 3.28Å; A24-Q28 PolarHBondContact O-N 2.72Å |
| 25 | E | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.7 | -173.3 | -176.5 | 161.8 | 0 | 0 | 111.1 | A21 L22 R27 Q28 R29 T188 M190 | A21-E25 PolarHBondContact O-N 2.99Å; L22-E25 PolarHBondContact O-N 3.2Å; E25-R27 PolarHBondContact O-N 3.49Å; E25-Q28 WeakPolarHBondContact O-CB 3.32Å; E25-Q28 PolarHBondContact O-N 2.89Å; E25-R29 HydrophobicContact CG-CG 4.4Å; E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.42Å; E25-R29 PolarHBondContact O-N 3.35Å; E25-T188 HydrophobicContact CG-CG2 4.28Å; E25-T188 WeakPolarHBondContact OE1-CG2 3.47Å; E25-M190 HydrophobicContact CB-CE 3.95Å; E25-M190 WeakPolarHBondContact OE2-CE 3.19Å |
| 26 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.4 | -77.9 | -11.7 | 0 | 0 | 0 | 112.4 | L22 F23 A24 Q28 R29 L30 W73 E191 | L22-N26 WeakPolarHBondContact CD2-ND2 3.39Å; L22-N26 PolarHBondContact O-N 2.96Å; F23-N26 PolarHBondContact O-N 3.44Å; A24-N26 VanDerWaalsContact C-N 3.34Å; A24-N26 PolarHBondContact O-N 3.43Å; N26-Q28 VanDerWaalsContact C-N 3.31Å; N26-Q28 PolarHBondContact O-N 3.27Å; N26-R29 PolarHBondContact O-N 3.28Å; N26-R29 PolarHBondContact OD1-NH1 3.49Å; N26-R29 VanDerWaalsContact OD1-NH1 3.16Å; N26-L30 WeakPolarHBondContact O-CB 3.27Å; N26-L30 PolarHBondContact O-N 2.67Å; N26-W73 HydrophobicContact CB-CD2 3.98Å; N26-W73 HydrophobicContact CB-CE3 4.14Å; N26-W73 HydrophobicContact CB-CH2 3.69Å; N26-W73 HydrophobicContact CB-CZ2 3.48Å; N26-W73 VanDerWaalsContact CB-CZ2 3.48Å; N26-W73 HydrophobicContact CB-CZ3 4.01Å; N26-W73 WeakPolarHBondContact CB-O 3.47Å; N26-W73 VanDerWaalsContact CG-CZ2 3.46Å; N26-W73 VanDerWaalsContact ND2-CD1 3.32Å; N26-W73 PolarHBondContact ND2-NE1 3.15Å; N26-W73 PolarHBondContact ND2-O 2.79Å; N26-W73 WeakPolarHBondContact O-CH2 3.31Å; N26-E191 PolarHBondContact ND2-OE1 2.65Å |
| 27 | R | 98.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 44 Ų | 44 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 174.2 | -65.6 | -169.9 | -62.9 | -89 | 10.1 | 111.8 | F23 A24 E25 L30 C31 A74 I86 S93 A122 | F23-R27 WeakPolarHBondContact O-CG 3.19Å; F23-R27 PolarHBondContact O-N 3.11Å; F23-R27 PolarHBondContact O-NH1 2.91Å; A24-R27 PolarHBondContact O-N 3.28Å; E25-R27 PolarHBondContact O-N 3.49Å; R27-L30 PolarHBondContact O-N 2.48Å; R27-C31 PolarHBondContact O-N 3.23Å; R27-C31 PolarHBondContact O-SG 2.88Å; R27-C31 VanDerWaalsContact O-SG 3.33Å; R27-A74 VanDerWaalsContact CD-O 3.29Å; R27-A74 WeakPolarHBondContact CD-O 3.48Å; R27-A74 HydrophobicContact CG-CB 4.49Å; R27-A74 WeakPolarHBondContact CG-O 3.41Å; R27-A74 PolarHBondContact NH1-O 3Å; R27-I86 HydrophobicContact CB-CD1 4.04Å; R27-I86 HydrophobicContact CG-CD1 3.59Å; R27-I86 HydrophobicContact CG-CG1 4.36Å; R27-S93 VanDerWaalsContact NE-CB 3.34Å; R27-S93 PolarHBondContact NH2-OG 3.31Å; R27-A122 PolarHBondContact NH2-O 3.44Å |
| 28 | Q | 98.8 | Very high | 98.1 | Very high | 123 Ų | 123 | 45.9 Ų | 45.9 | 58% | 0.575 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.7 | -46.7 | 176.9 | -176.2 | -178.2 | 1.9 | 0 | 0 | 111.7 | A24 E25 N26 L30 C31 L32 | A24-Q28 PolarHBondContact O-N 2.72Å; E25-Q28 WeakPolarHBondContact O-CB 3.32Å; E25-Q28 PolarHBondContact O-N 2.89Å; N26-Q28 VanDerWaalsContact C-N 3.31Å; N26-Q28 PolarHBondContact O-N 3.27Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 2.95Å; Q28-C31 PolarHBondContact O-N 2.91Å; Q28-L32 HydrophobicContact CG-CD1 4.32Å; Q28-L32 WeakPolarHBondContact O-CG 3.24Å; Q28-L32 PolarHBondContact O-N 3.47Å |
| 29 | R | 98.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.9 | -70.7 | 170.2 | 62.1 | -141.1 | -0.9 | 111.7 | E25 N26 L32 G33 C183 C186 E191 | E25-R29 HydrophobicContact CG-CG 4.4Å; E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.42Å; E25-R29 PolarHBondContact O-N 3.35Å; N26-R29 PolarHBondContact O-N 3.28Å; N26-R29 PolarHBondContact OD1-NH1 3.49Å; N26-R29 VanDerWaalsContact OD1-NH1 3.16Å; R29-L32 PolarHBondContact O-N 3.15Å; R29-G33 PolarHBondContact O-N 2.94Å; R29-C183 PolarHBondContact NH1-O 3.48Å; R29-C183 PolarHBondContact NH2-O 3.04Å; R29-C186 PolarHBondContact NH1-O 3.47Å; R29-C186 PolarHBondContact NH2-O 3.29Å; R29-E191 IonicContact NH1-OE2 3.22Å |
| 30 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 174.9 | 174.8 | 59.1 | 0 | 0 | 0 | 111.7 | N26 R27 Q28 L32 G33 L34 V46 W73 I86 L176 V179 I180 | N26-L30 WeakPolarHBondContact O-CB 3.27Å; N26-L30 PolarHBondContact O-N 2.67Å; R27-L30 PolarHBondContact O-N 2.48Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 2.95Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3Å; L30-G33 PolarHBondContact O-N 3.16Å; L30-L34 HydrophobicContact CD1-CD1 3.91Å; L30-L34 HydrophobicContact CD1-CG 4.06Å; L30-L34 HydrophobicContact CG-CD1 3.97Å; L30-L34 WeakPolarHBondContact O-CB 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.28Å; L30-V46 HydrophobicContact CD2-CG1 4.49Å; L30-V46 HydrophobicContact CD2-CG2 4.49Å; L30-W73 HydrophobicContact CB-CH2 4.02Å; L30-W73 HydrophobicContact CB-CZ3 3.98Å; L30-W73 HydrophobicContact CD2-CZ3 4.23Å; L30-I86 HydrophobicContact CD2-CD1 4.2Å; L30-L176 HydrophobicContact CD1-CD1 3.94Å; L30-L176 HydrophobicContact CD2-CD1 4.23Å; L30-V179 HydrophobicContact CD1-CB 4.49Å; L30-V179 HydrophobicContact CD1-CG1 3.96Å; L30-I180 HydrophobicContact CD1-CB 3.88Å; L30-I180 HydrophobicContact CD1-CG1 4.26Å; L30-I180 HydrophobicContact CD2-CD1 4.09Å; L30-I180 HydrophobicContact CD2-CG1 4.32Å |
| 31 | C | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 176.1 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | R27 Q28 L34 R35 I86 | R27-C31 PolarHBondContact O-N 3.23Å; R27-C31 PolarHBondContact O-SG 2.88Å; R27-C31 VanDerWaalsContact O-SG 3.33Å; Q28-C31 PolarHBondContact O-N 2.91Å; C31-L34 PolarHBondContact O-N 3.46Å; C31-R35 WeakPolarHBondContact O-CB 3.48Å; C31-R35 WeakPolarHBondContact O-CG 3.22Å; C31-R35 PolarHBondContact O-N 3.26Å; C31-I86 VanDerWaalsContact SG-CG2 3.57Å |
| 32 | L | 98.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.8 | -70.8 | 171.2 | 0 | 0 | 0 | 111.7 | Q28 R29 L30 L34 R35 A36 | Q28-L32 HydrophobicContact CG-CD1 4.32Å; Q28-L32 WeakPolarHBondContact O-CG 3.24Å; Q28-L32 PolarHBondContact O-N 3.47Å; R29-L32 PolarHBondContact O-N 3.15Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L34 PolarHBondContact O-N 3.39Å; L32-R35 PolarHBondContact O-N 3.28Å; L32-A36 PolarHBondContact O-N 3.21Å |
| 33 | G | 98.3 | Very high | 97.2 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R29 L30 A36 | R29-G33 PolarHBondContact O-N 2.94Å; L30-G33 PolarHBondContact O-N 3.16Å; G33-A36 PolarHBondContact O-N 3.05Å |
| 34 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -45 | 177 | -73.9 | 168.5 | 0 | 0 | 0 | 111.7 | L30 C31 L32 A36 K37 L40 V46 V88 L145 L175 L176 V179 | L30-L34 HydrophobicContact CD1-CD1 3.91Å; L30-L34 HydrophobicContact CD1-CG 4.06Å; L30-L34 HydrophobicContact CG-CD1 3.97Å; L30-L34 WeakPolarHBondContact O-CB 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.28Å; C31-L34 PolarHBondContact O-N 3.46Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L34 PolarHBondContact O-N 3.39Å; L34-A36 PolarHBondContact O-N 3.16Å; L34-K37 WeakPolarHBondContact O-CB 3.31Å; L34-K37 PolarHBondContact O-N 3.43Å; L34-L40 WeakPolarHBondContact O-CD2 3.49Å; L34-V46 HydrophobicContact CD1-CG2 3.48Å; L34-V46 VanDerWaalsContact CD1-CG2 3.48Å; L34-V88 HydrophobicContact CB-CG1 3.89Å; L34-V88 HydrophobicContact CD1-CG1 4.37Å; L34-V88 HydrophobicContact CD1-CG2 3.88Å; L34-L145 HydrophobicContact CD1-CD1 4.16Å; L34-L145 HydrophobicContact CD2-CD1 4.05Å; L34-L175 HydrophobicContact CD2-CD2 4.48Å; L34-L175 HydrophobicContact CD2-CG 4.3Å; L34-L176 HydrophobicContact CD1-CD1 4.3Å; L34-V179 HydrophobicContact CD2-CB 4.05Å; L34-V179 HydrophobicContact CD2-CG1 4.12Å; L34-V179 HydrophobicContact CD2-CG2 4.02Å; L34-V179 HydrophobicContact CG-CB 4.48Å; L34-V179 HydrophobicContact CG-CG1 4.02Å |
| 35 | R | 98.3 | Very high | 97.2 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -23.5 | 177.9 | -72.2 | 174.8 | -158.7 | 164.7 | 8.6 | 113.1 | C31 L32 K37 L40 V88 D89 | C31-R35 WeakPolarHBondContact O-CB 3.48Å; C31-R35 WeakPolarHBondContact O-CG 3.22Å; C31-R35 PolarHBondContact O-N 3.26Å; L32-R35 PolarHBondContact O-N 3.28Å; R35-K37 VanDerWaalsContact C-N 3.35Å; R35-L40 HydrophobicContact CG-CD2 4.34Å; R35-V88 HydrophobicContact CG-CG1 4.06Å; R35-V88 PolarHBondContact NE-O 3.48Å; R35-V88 PolarHBondContact NH2-O 3.18Å; R35-D89 VanDerWaalsContact CZ-O 3.23Å; R35-D89 PolarHBondContact NH2-O 3.36Å |
| 36 | A | 97.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 56.6 Ų | 56.6 | 69% | 0.694 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L32 G33 L34 | L32-A36 PolarHBondContact O-N 3.21Å; G33-A36 PolarHBondContact O-N 3.05Å; L34-A36 PolarHBondContact O-N 3.16Å |
| 37 | K | 96.4 | Very high | 97.2 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -83.6 | 133.7 | 179 | -67.7 | -60.4 | -174.1 | 179.7 | 0 | 112 | L34 R35 L40 L175 V179 | L34-K37 WeakPolarHBondContact O-CB 3.31Å; L34-K37 PolarHBondContact O-N 3.43Å; R35-K37 VanDerWaalsContact C-N 3.35Å; K37-L40 PolarHBondContact O-N 3.11Å; K37-L175 HydrophobicContact CB-CD1 3.99Å; K37-L175 HydrophobicContact CG-CD1 4.16Å; K37-V179 HydrophobicContact CD-CG2 4.19Å; K37-V179 HydrophobicContact CG-CG2 3.77Å |
| 38 | E | 91.6 | Very high | 97.2 | Very high | 191 Ų | 191 | 56.3 Ų | 56.3 | 89% | 0.893 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 141.2 | 168.2 | -63 | -172.9 | 173.1 | 0 | 0 | 110.5 | L40 | E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.23Å |
| 39 | G | 87.6 | Confident | 97.2 | Very high | 73 Ų | 73 | 52 Ų | 52 | 75% | 0.753 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L41 | G39-L41 PolarHBondContact O-N 3.08Š|
| 40 | L | 95.9 | Very high | 97.2 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 126.2 | 168.9 | -176.8 | 75.4 | 0 | 0 | 0 | 110 | L34 R35 K37 E38 S44 V88 L145 L175 | L34-L40 WeakPolarHBondContact O-CD2 3.49Å; R35-L40 HydrophobicContact CG-CD2 4.34Å; K37-L40 PolarHBondContact O-N 3.11Å; E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.23Å; L40-S44 WeakPolarHBondContact CD1-OG 3.44Å; L40-V88 HydrophobicContact CD2-CG1 3.76Å; L40-L145 HydrophobicContact CD1-CD1 3.85Å; L40-L175 HydrophobicContact CD1-CD2 3.75Å |
| 41 | L | 96.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -82 | 140.1 | 174.2 | -60.2 | 179.5 | 0 | 0 | 0 | 110.4 | G39 S44 S142 V143 | G39-L41 PolarHBondContact O-N 3.08Å; L41-S44 WeakPolarHBondContact O-CB 3.45Å; L41-S44 PolarHBondContact O-N 2.94Å; L41-S44 PolarHBondContact O-OG 2.92Å; L41-S142 WeakPolarHBondContact CB-OG 3.49Å; L41-V143 HydrophobicContact CB-CG1 4.1Å; L41-V143 HydrophobicContact CD1-CB 4.25Å; L41-V143 HydrophobicContact CD1-CG1 4.07Å; L41-V143 HydrophobicContact CG-CG1 4.43Å |
| 42 | P | 95.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 149.1 | 170 | -21.7 | 32 | 0 | 0 | 0 | 110.8 | S44 S142 | P42-S44 PolarHBondContact O-N 2.82Å; P42-S142 WeakPolarHBondContact O-CB 3.48Å; P42-S142 PolarHBondContact O-OG 3.07Å |
| 43 | K | 96.9 | Very high | 97.1 | Very high | 123 Ų | 123 | 52.1 Ų | 52.1 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 32 | -174.5 | -50.2 | -179.4 | 177.9 | -177.1 | 0 | 113.5 | D89 P141 S142 | K43-D89 WeakPolarHBondContact CA-OD2 3.32Å; K43-D89 PolarHBondContact N-OD2 2.64Å; K43-P141 WeakPolarHBondContact O-CA 3.19Å; K43-S142 PolarHBondContact O-N 3.23Å; K43-S142 PolarHBondContact O-OG 3.31Å |
| 44 | S | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 140.4 | 165.9 | -69.7 | 0 | 0 | 0 | 0 | 109.5 | L40 L41 P42 V88 V143 | L40-S44 WeakPolarHBondContact CD1-OG 3.44Å; L41-S44 WeakPolarHBondContact O-CB 3.45Å; L41-S44 PolarHBondContact O-N 2.94Å; L41-S44 PolarHBondContact O-OG 2.92Å; P42-S44 PolarHBondContact O-N 2.82Å; S44-V88 WeakPolarHBondContact O-CB 3.35Å; S44-V88 VanDerWaalsContact O-CG2 3.31Å; S44-V88 WeakPolarHBondContact O-CG2 3.22Å; S44-V88 PolarHBondContact O-N 3.17Å; S44-V143 WeakPolarHBondContact CA-O 3.26Å; S44-V143 WeakPolarHBondContact OG-CG1 3.47Å |
| 45 | V | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.7 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | A85 I86 L136 M139 P141 V143 L144 L145 | V45-A85 HydrophobicContact CG1-CB 3.94Å; V45-I86 CarbonylContact C-O 3.53Å; V45-I86 WeakPolarHBondContact CA-O 3.21Å; V45-L136 HydrophobicContact CG1-CD2 4.15Å; V45-M139 HydrophobicContact CG1-CE 4.31Å; V45-M139 HydrophobicContact CG2-CE 3.69Å; V45-P141 HydrophobicContact CB-CB 4.28Å; V45-P141 HydrophobicContact CG2-CB 3.79Å; V45-V143 PolarHBondContact N-O 2.9Å; V45-L144 HydrophobicContact CB-CD2 4.06Å; V45-L144 HydrophobicContact CG1-CD2 4.39Å; V45-L144 CarbonylContact O-C 3.57Å; V45-L144 WeakPolarHBondContact O-CA 3.32Å; V45-L145 PolarHBondContact O-N 3.18Å |
| 46 | V | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 133.5 | 168 | 173 | 0 | 0 | 0 | 0 | 108.2 | L30 L34 L48 A85 I86 V88 L145 L176 | L30-V46 HydrophobicContact CD2-CG1 4.49Å; L30-V46 HydrophobicContact CD2-CG2 4.49Å; L34-V46 HydrophobicContact CD1-CG2 3.48Å; L34-V46 VanDerWaalsContact CD1-CG2 3.48Å; V46-L48 HydrophobicContact CG1-CD2 4.44Å; V46-L48 HydrophobicContact CG1-CG 4.05Å; V46-A85 CarbonylContact O-C 3.09Å; V46-A85 WeakPolarHBondContact O-CA 3.42Å; V46-I86 HydrophobicContact CB-CB 4.16Å; V46-I86 HydrophobicContact CG1-CD1 4.49Å; V46-I86 PolarHBondContact N-O 3.19Å; V46-I86 PolarHBondContact O-N 2.92Å; V46-V88 HydrophobicContact CG2-CG2 3.89Å; V46-L145 WeakPolarHBondContact CA-O 3.48Å; V46-L145 HydrophobicContact CG2-CB 4.34Å; V46-L145 HydrophobicContact CG2-CD1 4.37Å; V46-L176 HydrophobicContact CG1-CD1 4.1Å; V46-L176 HydrophobicContact CG1-CD2 3.79Å; V46-L176 HydrophobicContact CG2-CD1 4.01Å |
| 47 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.4 | 172.6 | -179.8 | 67 | 0 | 0 | 0 | 109.9 | F83 A85 L136 L144 L145 T146 A161 F163 I166 | L47-F83 HydrophobicContact CD1-CD1 4.36Å; L47-A85 HydrophobicContact CD1-CB 4.39Å; L47-L136 HydrophobicContact CD1-CD1 4.29Å; L47-L136 HydrophobicContact CD2-CD1 4.14Å; L47-L144 HydrophobicContact CD2-CD1 4.26Å; L47-L145 PolarHBondContact N-O 3.02Å; L47-T146 HydrophobicContact CB-CG2 4.49Å; L47-A161 HydrophobicContact CD2-CB 4.32Å; L47-A161 HydrophobicContact CG-CB 4.11Å; L47-F163 HydrophobicContact CD2-CD1 3.81Å; L47-F163 HydrophobicContact CD2-CE1 3.46Å; L47-F163 VanDerWaalsContact CD2-CE1 3.46Å; L47-I166 HydrophobicContact CD2-CD1 4.38Å |
| 48 | L | 98.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.4 | 174.8 | -59.9 | 176.4 | 0 | 0 | 0 | 109.6 | V46 F71 A74 F75 F83 G84 L147 L176 I180 | V46-L48 HydrophobicContact CG1-CD2 4.44Å; V46-L48 HydrophobicContact CG1-CG 4.05Å; L48-F71 HydrophobicContact CB-CD2 3.77Å; L48-F71 HydrophobicContact CB-CE2 4.33Å; L48-A74 HydrophobicContact CD1-CB 3.87Å; L48-F75 HydrophobicContact CD1-CE2 4.36Å; L48-F83 WeakPolarHBondContact O-CA 3.28Å; L48-G84 PolarHBondContact N-O 2.89Å; L48-G84 PolarHBondContact O-N 3.04Å; L48-L147 HydrophobicContact CD2-CB 3.82Å; L48-L147 HydrophobicContact CD2-CD2 4.34Å; L48-L176 HydrophobicContact CD2-CD2 3.86Å; L48-I180 HydrophobicContact CD1-CD1 4.4Å |
| 49 | Q | 98.9 | Very high | 97.6 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.9 | 171.7 | -177.9 | 174.8 | -0.6 | 0 | 0 | 108 | F83 A161 S162 | Q49-F83 HydrophobicContact CB-CD1 3.73Å; Q49-F83 HydrophobicContact CB-CE1 3.54Å; Q49-F83 HydrophobicContact CB-CZ 4.26Å; Q49-F83 HydrophobicContact CG-CD1 3.91Å; Q49-F83 HydrophobicContact CG-CE1 3.42Å; Q49-F83 VanDerWaalsContact CG-CE1 3.42Å; Q49-F83 HydrophobicContact CG-CE2 4.23Å; Q49-F83 HydrophobicContact CG-CZ 3.6Å; Q49-A161 HydrophobicContact CB-CB 3.7Å; Q49-S162 VanDerWaalsContact OE1-N 3.1Å; Q49-S162 PolarHBondContact OE1-O 3.04Å |
| 50 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -68.6 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C82 R159 | G50-C82 PolarHBondContact N-O 2.85Å; G50-R159 PolarHBondContact O-NH2 3.24Å | ||
| 51 | G | 98.3 | Very high | 98.2 | Very high | 12 Ų | 12 | 68.1 Ų | 68.1 | 12% | 0.124 | 35% | 0.347 | C | S | . | . | trans | -66.7 | 155.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F65 D81 | G51-F65 VanDerWaalsContact C-CE2 3.44Å; G51-D81 PolarHBondContact O-N 3.18Å | ||
| 52 | E | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 68.6 Ų | 68.6 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | trans | -113.4 | 151.2 | 179.9 | -64.7 | 167 | 129 | 0 | 0 | 109.4 | D81 R159 | E52-D81 WeakPolarHBondContact CA-OD1 3.34Å; E52-D81 VanDerWaalsContact CB-OD1 3.22Å; E52-D81 WeakPolarHBondContact CB-OD1 3.22Å; E52-D81 WeakPolarHBondContact CG-OD1 3.41Å; E52-R159 IonicContact OE2-CZ 2.65Å; E52-R159 IonicContact OE2-NH1 3.31Å; E52-R159 PolarHBondContact OE2-NH1 3.27Å; E52-R159 IonicContact OE2-NH2 2.67Å; E52-R159 PolarHBondContact OE2-NH2 2.93Å | ||
| 53 | Q | 98.1 | Very high | 98.4 | Very high | 60 Ų | 60 | 66.9 Ų | 66.9 | 28% | 0.28 | 34% | 0.338 | S | S | . | . | trans | -65.5 | 137.2 | 174.3 | -179.2 | 56.9 | 43.3 | 0 | 0 | 109.5 | D62 V63 A80 D81 | Q53-D62 VanDerWaalsContact NE2-CG 3.32Å; Q53-D62 PolarHBondContact NE2-OD1 3.46Å; Q53-V63 PolarHBondContact NE2-O 2.73Å; Q53-A80 HydrophobicContact CB-CB 4.23Å; Q53-D81 PolarHBondContact N-OD1 3.5Å | ||
| 54 | T | 98.3 | Very high | 98.4 | Very high | 76 Ų | 76 | 65 Ų | 65 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | trans | -129.9 | 156.5 | -178.2 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | V63 | T54-V63 PolarHBondContact O-N 3.47Š| ||
| 55 | Q | 98.6 | Very high | 98.5 | Very high | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -116.4 | 161.2 | 176.9 | -62.9 | 76.1 | 24.2 | 0 | 0 | 111.2 | Y57 T59 T61 D62 | Q55-Y57 PolarHBondContact O-N 3.48Å; Q55-Y57 VanDerWaalsContact O-N 3.11Å; Q55-T59 VanDerWaalsContact CB-O 3.24Å; Q55-T59 WeakPolarHBondContact CB-O 3.5Å; Q55-T61 WeakPolarHBondContact CA-O 3.42Å; Q55-D62 PolarHBondContact NE2-OD1 3.16Å |
| 56 | R | 98.4 | Very high | 98.4 | Very high | 153 Ų | 153 | 69.9 Ų | 69.9 | 58% | 0.577 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -70.7 | 106.6 | 171.9 | -64.6 | -178 | -175.7 | 174.7 | -0 | 109.9 | C58 T59 T61 V63 | R56-C58 PolarHBondContact O-N 3.06Å; R56-T59 WeakPolarHBondContact O-CB 3.32Å; R56-T59 PolarHBondContact O-N 2.99Å; R56-T59 VanDerWaalsContact O-N 3.08Å; R56-T59 PolarHBondContact O-OG1 2.9Å; R56-T61 HydrophobicContact CG-CG2 4.36Å; R56-T61 PolarHBondContact N-O 3.32Å; R56-V63 HydrophobicContact CG-CG2 4.03Å |
| 57 | Y | 98.1 | Very high | 98.4 | Very high | 228 Ų | 228 | 70.1 Ų | 70.1 | 89% | 0.894 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | -119.8 | 178.8 | -54.1 | -74 | 0 | 0 | 0 | 111.9 | Q55 | Q55-Y57 PolarHBondContact O-N 3.48Å; Q55-Y57 VanDerWaalsContact O-N 3.11Å |
| 58 | C | 97.8 | Very high | 98.4 | Very high | 131 Ų | 131 | 73 Ų | 73 | 89% | 0.885 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 13.7 | 179.6 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | R56 | R56-C58 PolarHBondContact O-N 3.06Š|
| 59 | T | 98.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -89 | 175.7 | -179.7 | 72 | 0 | 0 | 0 | 0 | 111.8 | Q55 R56 T61 | Q55-T59 VanDerWaalsContact CB-O 3.24Å; Q55-T59 WeakPolarHBondContact CB-O 3.5Å; R56-T59 WeakPolarHBondContact O-CB 3.32Å; R56-T59 PolarHBondContact O-N 2.99Å; R56-T59 VanDerWaalsContact O-N 3.08Å; R56-T59 PolarHBondContact O-OG1 2.9Å; T59-T61 PolarHBondContact OG1-N 3.19Å |
| 60 | D | 97.6 | Very high | 98.4 | Very high | 144 Ų | 144 | 72.1 Ų | 72.1 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -93.2 | 8 | 171.2 | 66.2 | -17.7 | 0 | 0 | 0 | 113 | D62 | D60-D62 PolarHBondContact O-N 2.73Å; D60-D62 VanDerWaalsContact O-N 3.16Å |
| 61 | T | 98.5 | Very high | 98.5 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | trans | -79.2 | 102.4 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 110 | Q55 R56 T59 | Q55-T61 WeakPolarHBondContact CA-O 3.42Å; R56-T61 HydrophobicContact CG-CG2 4.36Å; R56-T61 PolarHBondContact N-O 3.32Å; T59-T61 PolarHBondContact OG1-N 3.19Å | ||
| 62 | D | 97.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 43% | 0.428 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -58.8 | 138.4 | 175.1 | -81.6 | -28.6 | 0 | 0 | 0 | 112.2 | Q53 Q55 D60 | Q53-D62 VanDerWaalsContact NE2-CG 3.32Å; Q53-D62 PolarHBondContact NE2-OD1 3.46Å; Q55-D62 PolarHBondContact NE2-OD1 3.16Å; D60-D62 PolarHBondContact O-N 2.73Å; D60-D62 VanDerWaalsContact O-N 3.16Å |
| 63 | V | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 135.8 | 162.3 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | Q53 T54 R56 F65 | Q53-V63 PolarHBondContact NE2-O 2.73Å; T54-V63 PolarHBondContact O-N 3.47Å; R56-V63 HydrophobicContact CG-CG2 4.03Å; V63-F65 PolarHBondContact O-N 2.74Å; V63-F65 VanDerWaalsContact O-N 3.17Å |
| 64 | L | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 124.9 | 175.1 | 179 | 62.9 | 0 | 0 | 0 | 109.4 | R237 H238 | L64-R237 HydrophobicContact CD2-CG 3.83Å; L64-H238 VanDerWaalsContact CD2-NE2 3.27Å; L64-H238 WeakPolarHBondContact CD2-NE2 3.26Å; L64-H238 WeakPolarHBondContact CG-NE2 3.23Å |
| 65 | F | 98.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 17% | 0.167 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 132.1 | -176.5 | -178.3 | -108.4 | 0 | 0 | 0 | 112.4 | G51 V63 Q67 T78 A80 | G51-F65 VanDerWaalsContact C-CE2 3.44Å; V63-F65 PolarHBondContact O-N 2.74Å; V63-F65 VanDerWaalsContact O-N 3.17Å; F65-Q67 HydrophobicContact CE1-CB 4.28Å; F65-Q67 HydrophobicContact CZ-CB 4.44Å; F65-T78 WeakPolarHBondContact CD1-O 3.43Å; F65-T78 WeakPolarHBondContact CE1-O 3.41Å; F65-A80 HydrophobicContact CD1-CB 4.16Å; F65-A80 HydrophobicContact CD2-CB 3.92Å; F65-A80 HydrophobicContact CE1-CB 4Å; F65-A80 HydrophobicContact CE2-CB 3.77Å; F65-A80 HydrophobicContact CG-CB 4.12Å; F65-A80 HydrophobicContact CZ-CB 3.8Å |
| 66 | R | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 57 Ų | 57 | 25% | 0.249 | 28% | 0.284 | C | S | . | . | trans | -127.9 | 129.9 | 167.4 | -169.2 | -73.1 | -166.4 | 172.3 | 5.1 | 107 | S69 E280 C283 I374 D375 | R66-S69 PolarHBondContact NH1-OG 3.44Å; R66-E280 IonicContact CZ-OE2 3.79Å; R66-E280 IonicContact NE-OE1 2.78Å; R66-E280 PolarHBondContact NE-OE1 3.38Å; R66-E280 IonicContact NE-OE2 2.83Å; R66-E280 PolarHBondContact NE-OE2 2.78Å; R66-E280 IonicContact NH2-OE2 3.96Å; R66-E280 PolarHBondContact NH2-OE2 3.2Å; R66-C283 PolarHBondContact NH2-O 3.24Å; R66-I374 PolarHBondContact NH2-O 3.12Å; R66-I374 VanDerWaalsContact NH2-O 3.09Å; R66-D375 IonicContact NH2-OD1 2.67Å | ||
| 67 | Q | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | trans | -63.5 | 153.4 | -174 | -172.4 | 56.1 | -92.9 | 0 | 0 | 113.1 | F65 F71 H72 V77 E79 | F65-Q67 HydrophobicContact CE1-CB 4.28Å; F65-Q67 HydrophobicContact CZ-CB 4.44Å; Q67-F71 VanDerWaalsContact CD-CD1 3.48Å; Q67-F71 HydrophobicContact CG-CB 4.45Å; Q67-F71 HydrophobicContact CG-CD1 3.97Å; Q67-H72 HydrophobicContact CB-CB 4.22Å; Q67-H72 HydrophobicContact CG-CB 3.87Å; Q67-V77 WeakPolarHBondContact CG-O 3.27Å; Q67-V77 PolarHBondContact NE2-O 3.37Å; Q67-E79 PolarHBondContact NE2-O 3.18Å; Q67-E79 VanDerWaalsContact NE2-O 3.16Å | ||
| 68 | E | 98.9 | Very high | 98.6 | Very high | 62 Ų | 62 | 41.4 Ų | 41.4 | 29% | 0.29 | 23% | 0.23 | S | C | . | . | trans | -65 | 134.9 | 168.3 | -169.2 | -72.4 | 126 | 0 | 0 | 110.5 | F70 F71 H72 | E68-F70 VanDerWaalsContact CD-N 3.31Å; E68-F70 PolarHBondContact O-N 3.43Å; E68-F70 WeakPolarHBondContact OE1-CD2 3.46Å; E68-F70 PolarHBondContact OE1-N 2.83Å; E68-F70 WeakPolarHBondContact OE2-CB 3.11Å; E68-F70 PolarHBondContact OE2-N 2.85Å; E68-F70 VanDerWaalsContact OE2-N 3.11Å; E68-F71 HydrophobicContact CB-CB 4.33Å; E68-F71 PolarHBondContact O-N 3.05Å; E68-F71 WeakPolarHBondContact OE2-CB 3.49Å; E68-F71 PolarHBondContact OE2-N 3.41Å; E68-H72 WeakPolarHBondContact O-CB 3.38Å; E68-H72 PolarHBondContact O-N 3.15Å | ||
| 69 | S | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | -165.8 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | R66 W73 D375 | R66-S69 PolarHBondContact NH1-OG 3.44Å; S69-W73 WeakPolarHBondContact O-CB 3.35Å; S69-W73 PolarHBondContact O-N 3Å; S69-D375 WeakPolarHBondContact CB-OD1 3.24Å; S69-D375 WeakPolarHBondContact CB-OD2 3.48Å; S69-D375 VanDerWaalsContact OG-CG 3.32Å; S69-D375 PolarHBondContact OG-OD1 3.29Å; S69-D375 PolarHBondContact OG-OD2 2.88Å |
| 70 | F | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -37.9 | 176.9 | -70.1 | -77.3 | 0 | 0 | 0 | 112.1 | E68 W73 A74 L147 I180 V181 V379 | E68-F70 VanDerWaalsContact CD-N 3.31Å; E68-F70 PolarHBondContact O-N 3.43Å; E68-F70 WeakPolarHBondContact OE1-CD2 3.46Å; E68-F70 PolarHBondContact OE1-N 2.83Å; E68-F70 WeakPolarHBondContact OE2-CB 3.11Å; E68-F70 PolarHBondContact OE2-N 2.85Å; E68-F70 VanDerWaalsContact OE2-N 3.11Å; F70-W73 PolarHBondContact O-N 2.82Å; F70-A74 PolarHBondContact O-N 3.49Å; F70-A74 VanDerWaalsContact O-N 3.17Å; F70-L147 HydrophobicContact CB-CD2 3.69Å; F70-L147 HydrophobicContact CD1-CD2 4.48Å; F70-L147 HydrophobicContact CD2-CD2 3.47Å; F70-L147 VanDerWaalsContact CD2-CD2 3.47Å; F70-L147 HydrophobicContact CE2-CD2 4.15Å; F70-L147 HydrophobicContact CG-CD2 3.64Å; F70-I180 HydrophobicContact CB-CD1 4.24Å; F70-I180 HydrophobicContact CD1-CB 4.48Å; F70-I180 HydrophobicContact CD1-CD1 3.83Å; F70-I180 HydrophobicContact CD1-CG1 3.93Å; F70-I180 HydrophobicContact CD1-CG2 3.8Å; F70-I180 HydrophobicContact CE1-CG1 4.44Å; F70-I180 HydrophobicContact CE1-CG2 3.76Å; F70-I180 HydrophobicContact CG-CD1 4.48Å; F70-V181 HydrophobicContact CE1-CG2 3.81Å; F70-V181 HydrophobicContact CZ-CG2 3.7Å; F70-V379 HydrophobicContact CE1-CG2 4.24Å; F70-V379 HydrophobicContact CE2-CG1 4.36Å; F70-V379 HydrophobicContact CZ-CB 4.39Å; F70-V379 HydrophobicContact CZ-CG1 3.89Å; F70-V379 HydrophobicContact CZ-CG2 4.16Å |
| 71 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 173.2 | -166.2 | -97.3 | 0 | 0 | 0 | 111.5 | L48 Q67 E68 A74 F75 V77 C82 L95 | L48-F71 HydrophobicContact CB-CD2 3.77Å; L48-F71 HydrophobicContact CB-CE2 4.33Å; Q67-F71 VanDerWaalsContact CD-CD1 3.48Å; Q67-F71 HydrophobicContact CG-CB 4.45Å; Q67-F71 HydrophobicContact CG-CD1 3.97Å; E68-F71 HydrophobicContact CB-CB 4.33Å; E68-F71 PolarHBondContact O-N 3.05Å; E68-F71 WeakPolarHBondContact OE2-CB 3.49Å; E68-F71 PolarHBondContact OE2-N 3.41Å; F71-A74 PolarHBondContact O-N 3.33Å; F71-F75 HydrophobicContact CD2-CD2 4.27Å; F71-F75 HydrophobicContact CE2-CD2 4.12Å; F71-F75 HydrophobicContact CE2-CE2 4.45Å; F71-F75 HydrophobicContact CZ-CD2 4.36Å; F71-F75 PolarHBondContact O-N 3.46Å; F71-V77 HydrophobicContact CD1-CB 4.41Å; F71-V77 HydrophobicContact CE1-CB 3.75Å; F71-V77 HydrophobicContact CE1-CG1 4.02Å; F71-V77 HydrophobicContact CE1-CG2 4.27Å; F71-C82 HydrophobicContact CE1-CB 4.1Å; F71-C82 HydrophobicContact CZ-CB 3.85Å; F71-L95 HydrophobicContact CZ-CD1 4.19Å |
| 72 | H | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 174.5 | 177.2 | 76.9 | 0 | 0 | 0 | 111.2 | F23 Q67 E68 A74 F75 G76 Y282 C283 Y284 | F23-H72 VanDerWaalsContact CD1-O 3.23Å; F23-H72 WeakPolarHBondContact CD1-O 2.85Å; F23-H72 AromaticContact CE1-CE1 3.87Å; F23-H72 AromaticContact CE1-NE2 3.63Å; F23-H72 WeakPolarHBondContact CE1-O 3.4Å; F23-H72 AromaticContact CZ-CE1 3.91Å; F23-H72 AromaticContact CZ-NE2 3.97Å; Q67-H72 HydrophobicContact CB-CB 4.22Å; Q67-H72 HydrophobicContact CG-CB 3.87Å; E68-H72 WeakPolarHBondContact O-CB 3.38Å; E68-H72 PolarHBondContact O-N 3.15Å; H72-A74 PolarHBondContact O-N 3.16Å; H72-A74 VanDerWaalsContact O-N 3.16Å; H72-F75 PolarHBondContact O-N 2.87Å; H72-G76 WeakPolarHBondContact O-CA 3.45Å; H72-G76 PolarHBondContact O-N 3.18Å; H72-Y282 AromaticContact CE1-CD2 3.55Å; H72-Y282 AromaticContact CE1-CE2 3.64Å; H72-Y282 PolarHBondContact CE1-O 3.23Å; H72-Y282 PolarHBondContact NE2-O 3.04Å; H72-C283 HydrophobicContact CB-CB 4.44Å; H72-Y284 AromaticContact NE2-CD2 3.96Å; H72-Y284 AromaticContact NE2-CE2 3.46Å; H72-Y284 WeakPolarHBondContact NE2-CE2 3.34Å |
| 73 | W | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.6 | -37.2 | 179.1 | -176.8 | 77.5 | 0 | 0 | 0 | 113.1 | N26 L30 S69 F70 I180 C183 R184 E191 I374 | N26-W73 HydrophobicContact CB-CD2 3.98Å; N26-W73 HydrophobicContact CB-CE3 4.14Å; N26-W73 HydrophobicContact CB-CH2 3.69Å; N26-W73 HydrophobicContact CB-CZ2 3.48Å; N26-W73 VanDerWaalsContact CB-CZ2 3.48Å; N26-W73 HydrophobicContact CB-CZ3 4.01Å; N26-W73 WeakPolarHBondContact CB-O 3.47Å; N26-W73 VanDerWaalsContact CG-CZ2 3.46Å; N26-W73 VanDerWaalsContact ND2-CD1 3.32Å; N26-W73 PolarHBondContact ND2-NE1 3.15Å; N26-W73 PolarHBondContact ND2-O 2.79Å; N26-W73 WeakPolarHBondContact O-CH2 3.31Å; L30-W73 HydrophobicContact CB-CH2 4.02Å; L30-W73 HydrophobicContact CB-CZ3 3.98Å; L30-W73 HydrophobicContact CD2-CZ3 4.23Å; S69-W73 WeakPolarHBondContact O-CB 3.35Å; S69-W73 PolarHBondContact O-N 3Å; F70-W73 PolarHBondContact O-N 2.82Å; W73-I180 HydrophobicContact CE3-CD1 3.92Å; W73-I180 HydrophobicContact CE3-CG1 3.81Å; W73-I180 HydrophobicContact CZ3-CD1 4.08Å; W73-I180 HydrophobicContact CZ3-CG1 3.73Å; W73-C183 HydrophobicContact CH2-CB 3.45Å; W73-C183 VanDerWaalsContact CH2-CB 3.45Å; W73-C183 HydrophobicContact CZ2-CB 3.49Å; W73-C183 VanDerWaalsContact CZ2-CB 3.49Å; W73-C183 HydrophobicContact CZ3-CB 4.46Å; W73-R184 HydrophobicContact CB-CG 4.37Å; W73-R184 HydrophobicContact CD2-CG 3.83Å; W73-R184 HydrophobicContact CG-CG 3.64Å; W73-E191 PolarHBondContact NE1-OE1 3.08Å; W73-I374 HydrophobicContact CB-CD1 3.43Å; W73-I374 VanDerWaalsContact CB-CD1 3.43Å; W73-I374 HydrophobicContact CG-CD1 3.94Å |
| 74 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -84 | -29.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R27 L48 F70 F71 H72 | R27-A74 VanDerWaalsContact CD-O 3.29Å; R27-A74 WeakPolarHBondContact CD-O 3.48Å; R27-A74 HydrophobicContact CG-CB 4.49Å; R27-A74 WeakPolarHBondContact CG-O 3.41Å; R27-A74 PolarHBondContact NH1-O 3Å; L48-A74 HydrophobicContact CD1-CB 3.87Å; F70-A74 PolarHBondContact O-N 3.49Å; F70-A74 VanDerWaalsContact O-N 3.17Å; F71-A74 PolarHBondContact O-N 3.33Å; H72-A74 PolarHBondContact O-N 3.16Å; H72-A74 VanDerWaalsContact O-N 3.16Å |
| 75 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -132.8 | -20.6 | -168.1 | -67.5 | -80.8 | 0 | 0 | 0 | 116.4 | L48 F71 H72 V77 I86 V123 | L48-F75 HydrophobicContact CD1-CE2 4.36Å; F71-F75 HydrophobicContact CD2-CD2 4.27Å; F71-F75 HydrophobicContact CE2-CD2 4.12Å; F71-F75 HydrophobicContact CE2-CE2 4.45Å; F71-F75 HydrophobicContact CZ-CD2 4.36Å; F71-F75 PolarHBondContact O-N 3.46Å; H72-F75 PolarHBondContact O-N 2.87Å; F75-V77 HydrophobicContact CB-CB 4.43Å; F75-V77 HydrophobicContact CB-CG2 3.75Å; F75-V77 PolarHBondContact O-N 3.39Å; F75-I86 HydrophobicContact CE2-CD1 4.44Å; F75-I86 HydrophobicContact CE2-CG1 4.44Å; F75-I86 HydrophobicContact CZ-CD1 4.16Å; F75-I86 HydrophobicContact CZ-CG1 3.76Å; F75-V123 HydrophobicContact CD1-CG1 4.15Å |
| 76 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | 67.1 | 9.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | F23 H72 T78 Y121 Y282 | F23-G76 VanDerWaalsContact CE1-CA 3.46Å; F23-G76 VanDerWaalsContact CZ-CA 3.41Å; H72-G76 WeakPolarHBondContact O-CA 3.45Å; H72-G76 PolarHBondContact O-N 3.18Å; G76-T78 PolarHBondContact O-N 3.45Å; G76-Y121 WeakPolarHBondContact O-CE1 3.25Å; G76-Y282 WeakPolarHBondContact O-CE2 3.45Å; G76-Y282 PolarHBondContact O-OH 2.97Å | ||
| 77 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -71.2 | 129.9 | -171.5 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | Q67 F71 F75 E79 C82 L95 Y121 | Q67-V77 WeakPolarHBondContact CG-O 3.27Å; Q67-V77 PolarHBondContact NE2-O 3.37Å; F71-V77 HydrophobicContact CD1-CB 4.41Å; F71-V77 HydrophobicContact CE1-CB 3.75Å; F71-V77 HydrophobicContact CE1-CG1 4.02Å; F71-V77 HydrophobicContact CE1-CG2 4.27Å; F75-V77 HydrophobicContact CB-CB 4.43Å; F75-V77 HydrophobicContact CB-CG2 3.75Å; F75-V77 PolarHBondContact O-N 3.39Å; V77-E79 HydrophobicContact CG1-CB 4.46Å; V77-C82 HydrophobicContact CG1-CB 4.32Å; V77-L95 HydrophobicContact CG2-CD1 3.67Å; V77-L95 HydrophobicContact CG2-CD2 3.84Å; V77-L95 HydrophobicContact CG2-CG 4.43Å; V77-Y121 HydrophobicContact CB-CE1 4.35Å; V77-Y121 HydrophobicContact CB-CE2 4.36Å; V77-Y121 HydrophobicContact CG1-CE2 4.25Å; V77-Y121 HydrophobicContact CG2-CD1 4.02Å; V77-Y121 HydrophobicContact CG2-CD2 3.87Å; V77-Y121 HydrophobicContact CG2-CE1 4.05Å; V77-Y121 HydrophobicContact CG2-CE2 3.82Å; V77-Y121 HydrophobicContact CG2-CG 3.96Å | ||
| 78 | T | 98.8 | Very high | 98.8 | Very high | 55 Ų | 55 | 14.9 Ų | 14.9 | 34% | 0.337 | 8% | 0.08 | S | C | . | . | trans | -95.9 | -19.1 | -179.3 | 56.6 | 0 | 0 | 0 | 0 | 114 | Y9 F65 G76 Y121 Y282 | Y9-T78 HydrophobicContact CE2-CG2 4.32Å; F65-T78 WeakPolarHBondContact CD1-O 3.43Å; F65-T78 WeakPolarHBondContact CE1-O 3.41Å; G76-T78 PolarHBondContact O-N 3.45Å; T78-Y121 PolarHBondContact N-OH 3.39Å; T78-Y121 PolarHBondContact OG1-OH 3.15Å; T78-Y121 VanDerWaalsContact OG1-OH 3.12Å; T78-Y282 HydrophobicContact CG2-CD2 4.33Å; T78-Y282 HydrophobicContact CG2-CE2 3.75Å | ||
| 79 | E | 98.8 | Very high | 98.8 | Very high | 48 Ų | 48 | 15.1 Ų | 15.1 | 22% | 0.224 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -76 | 146.8 | 176.5 | -61.4 | 77.4 | -164 | 0 | 0 | 111.4 | Q67 V77 F117 K120 Y121 | Q67-E79 PolarHBondContact NE2-O 3.18Å; Q67-E79 VanDerWaalsContact NE2-O 3.16Å; V77-E79 HydrophobicContact CG1-CB 4.46Å; E79-F117 HydrophobicContact CG-CE1 4.21Å; E79-K120 IonicContact OE1-NZ 3.84Å; E79-K120 PolarHBondContact OE1-NZ 3.1Å; E79-Y121 VanDerWaalsContact CD-OH 3.23Å; E79-Y121 PolarHBondContact OE1-OH 3.12Å; E79-Y121 WeakPolarHBondContact OE2-CE2 3.4Å; E79-Y121 VanDerWaalsContact OE2-CZ 3.27Å; E79-Y121 PolarHBondContact OE2-OH 3.46Å |
| 80 | A | 98.5 | Very high | 98.7 | Very high | 15 Ų | 15 | 19.4 Ų | 19.4 | 12% | 0.124 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -76.1 | 170.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q53 F65 C82 | Q53-A80 HydrophobicContact CB-CB 4.23Å; F65-A80 HydrophobicContact CD1-CB 4.16Å; F65-A80 HydrophobicContact CD2-CB 3.92Å; F65-A80 HydrophobicContact CE1-CB 4Å; F65-A80 HydrophobicContact CE2-CB 3.77Å; F65-A80 HydrophobicContact CG-CB 4.12Å; F65-A80 HydrophobicContact CZ-CB 3.8Å; A80-C82 PolarHBondContact O-N 3.17Å; A80-C82 VanDerWaalsContact O-N 3.15Å; A80-C82 PolarHBondContact O-SG 2.84Å; A80-C82 VanDerWaalsContact O-SG 3.33Å |
| 81 | D | 98.3 | Very high | 98.7 | Very high | 69 Ų | 69 | 20.2 Ų | 20.2 | 37% | 0.369 | 12% | 0.119 | S | C | . | . | S | Bend | trans | 61.4 | 27.9 | 167.2 | -47.6 | -55.7 | 0 | 0 | 0 | 114 | G51 E52 Q53 P98 T129 | G51-D81 PolarHBondContact O-N 3.18Å; E52-D81 WeakPolarHBondContact CA-OD1 3.34Å; E52-D81 VanDerWaalsContact CB-OD1 3.22Å; E52-D81 WeakPolarHBondContact CB-OD1 3.22Å; E52-D81 WeakPolarHBondContact CG-OD1 3.41Å; Q53-D81 PolarHBondContact N-OD1 3.5Å; D81-P98 HydrophobicContact CB-CG 3.83Å; D81-T129 WeakPolarHBondContact O-CG2 3.43Å |
| 82 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -97.6 | 158.9 | 179.3 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | G50 F71 V77 A80 L95 F96 | G50-C82 PolarHBondContact N-O 2.85Å; F71-C82 HydrophobicContact CE1-CB 4.1Å; F71-C82 HydrophobicContact CZ-CB 3.85Å; V77-C82 HydrophobicContact CG1-CB 4.32Å; A80-C82 PolarHBondContact O-N 3.17Å; A80-C82 VanDerWaalsContact O-N 3.15Å; A80-C82 PolarHBondContact O-SG 2.84Å; A80-C82 VanDerWaalsContact O-SG 3.33Å; C82-L95 HydrophobicContact CB-CD1 4.34Å; C82-F96 CarbonylContact C-O 3.55Å; C82-F96 VanDerWaalsContact CA-O 3.22Å; C82-F96 WeakPolarHBondContact CA-O 3.3Å; C82-F96 WeakPolarHBondContact CB-O 3.28Å | ||
| 83 | F | 98.9 | Very high | 98.7 | Very high | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.088 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 160.7 | 163.5 | -67.1 | -106.8 | 0 | 0 | 0 | 110 | L47 L48 Q49 L95 F96 T129 S162 F163 | L47-F83 HydrophobicContact CD1-CD1 4.36Å; L48-F83 WeakPolarHBondContact O-CA 3.28Å; Q49-F83 HydrophobicContact CB-CD1 3.73Å; Q49-F83 HydrophobicContact CB-CE1 3.54Å; Q49-F83 HydrophobicContact CB-CZ 4.26Å; Q49-F83 HydrophobicContact CG-CD1 3.91Å; Q49-F83 HydrophobicContact CG-CE1 3.42Å; Q49-F83 VanDerWaalsContact CG-CE1 3.42Å; Q49-F83 HydrophobicContact CG-CE2 4.23Å; Q49-F83 HydrophobicContact CG-CZ 3.6Å; F83-L95 WeakPolarHBondContact O-CD1 3.25Å; F83-F96 HydrophobicContact CB-CB 3.97Å; F83-F96 HydrophobicContact CB-CD2 3.93Å; F83-F96 HydrophobicContact CB-CG 4.26Å; F83-F96 PolarHBondContact N-O 2.91Å; F83-F96 PolarHBondContact O-N 2.91Å; F83-T129 HydrophobicContact CD2-CG2 4.08Å; F83-S162 WeakPolarHBondContact CE1-O 3.41Å; F83-S162 VanDerWaalsContact CZ-O 3.32Å; F83-S162 WeakPolarHBondContact CZ-O 3.03Å; F83-F163 HydrophobicContact CE1-CB 4.47Å; F83-F163 HydrophobicContact CZ-CB 4.37Å |
| 84 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 128.3 | -179 | 0 | 0 | 0 | 0 | 0 | 109.3 | L48 I94 | L48-G84 PolarHBondContact N-O 2.89Å; L48-G84 PolarHBondContact O-N 3.04Å; G84-I94 CarbonylContact C-O 3.56Å; G84-I94 WeakPolarHBondContact CA-O 3.4Å |
| 85 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V45 V46 L47 S93 I94 F96 L136 | V45-A85 HydrophobicContact CG1-CB 3.94Å; V46-A85 CarbonylContact O-C 3.09Å; V46-A85 WeakPolarHBondContact O-CA 3.42Å; L47-A85 HydrophobicContact CD1-CB 4.39Å; A85-S93 WeakPolarHBondContact O-CA 3.29Å; A85-I94 HydrophobicContact CB-CB 4.38Å; A85-I94 PolarHBondContact N-O 3.2Å; A85-I94 PolarHBondContact O-N 3.43Å; A85-F96 HydrophobicContact CB-CE2 3.9Å; A85-L136 HydrophobicContact CB-CD2 4.23Å |
| 86 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 115.8 | 177 | -45.2 | 168.7 | 0 | 0 | 0 | 108.2 | R27 L30 C31 V45 V46 F75 V88 K92 | R27-I86 HydrophobicContact CB-CD1 4.04Å; R27-I86 HydrophobicContact CG-CD1 3.59Å; R27-I86 HydrophobicContact CG-CG1 4.36Å; L30-I86 HydrophobicContact CD2-CD1 4.2Å; C31-I86 VanDerWaalsContact SG-CG2 3.57Å; V45-I86 CarbonylContact C-O 3.53Å; V45-I86 WeakPolarHBondContact CA-O 3.21Å; V46-I86 HydrophobicContact CB-CB 4.16Å; V46-I86 HydrophobicContact CG1-CD1 4.49Å; V46-I86 PolarHBondContact N-O 3.19Å; V46-I86 PolarHBondContact O-N 2.92Å; F75-I86 HydrophobicContact CE2-CD1 4.44Å; F75-I86 HydrophobicContact CE2-CG1 4.44Å; F75-I86 HydrophobicContact CZ-CD1 4.16Å; F75-I86 HydrophobicContact CZ-CG1 3.76Å; I86-V88 PolarHBondContact O-N 3.15Å; I86-K92 WeakPolarHBondContact CA-O 3.46Å |
| 87 | D | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 24.2 Ų | 24.2 | 14% | 0.144 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.1 | 170.3 | 178.1 | -73.4 | 0 | 0 | 0 | 109 | D89 T90 G91 K92 M139 | D87-D89 VanDerWaalsContact C-N 3.3Å; D87-D89 PolarHBondContact O-N 2.73Å; D87-D89 PolarHBondContact OD1-N 3.08Å; D87-D89 VanDerWaalsContact OD1-N 3.1Å; D87-T90 WeakPolarHBondContact CB-OG1 3.3Å; D87-T90 WeakPolarHBondContact OD1-CB 3.4Å; D87-T90 PolarHBondContact OD1-N 3.25Å; D87-T90 PolarHBondContact OD1-OG1 2.64Å; D87-G91 VanDerWaalsContact O-CA 3.25Å; D87-G91 WeakPolarHBondContact O-CA 3.35Å; D87-G91 PolarHBondContact O-N 3.06Å; D87-K92 HydrophobicContact CB-CB 4.24Å; D87-K92 PolarHBondContact N-O 3.11Å; D87-M139 HydrophobicContact CB-CE 4.2Å |
| 88 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31.7 | -170.8 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | L34 R35 L40 S44 V46 I86 L145 | L34-V88 HydrophobicContact CB-CG1 3.89Å; L34-V88 HydrophobicContact CD1-CG1 4.37Å; L34-V88 HydrophobicContact CD1-CG2 3.88Å; R35-V88 HydrophobicContact CG-CG1 4.06Å; R35-V88 PolarHBondContact NE-O 3.48Å; R35-V88 PolarHBondContact NH2-O 3.18Å; L40-V88 HydrophobicContact CD2-CG1 3.76Å; S44-V88 WeakPolarHBondContact O-CB 3.35Å; S44-V88 VanDerWaalsContact O-CG2 3.31Å; S44-V88 WeakPolarHBondContact O-CG2 3.22Å; S44-V88 PolarHBondContact O-N 3.17Å; V46-V88 HydrophobicContact CG2-CG2 3.89Å; I86-V88 PolarHBondContact O-N 3.15Å; V88-L145 HydrophobicContact CG2-CD1 4.23Å |
| 89 | D | 98.1 | Very high | 98.7 | Very high | 67 Ų | 67 | 30 Ų | 30 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -38 | -174.9 | -68 | -12.8 | 0 | 0 | 0 | 112.2 | R35 K43 D87 | R35-D89 VanDerWaalsContact CZ-O 3.23Å; R35-D89 PolarHBondContact NH2-O 3.36Å; K43-D89 WeakPolarHBondContact CA-OD2 3.32Å; K43-D89 PolarHBondContact N-OD2 2.64Å; D87-D89 VanDerWaalsContact C-N 3.3Å; D87-D89 PolarHBondContact O-N 2.73Å; D87-D89 PolarHBondContact OD1-N 3.08Å; D87-D89 VanDerWaalsContact OD1-N 3.1Å |
| 90 | T | 98 | Very high | 98.6 | Very high | 99 Ų | 99 | 30.5 Ų | 30.5 | 61% | 0.607 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -23.3 | -174.8 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | D87 K92 | D87-T90 WeakPolarHBondContact CB-OG1 3.3Å; D87-T90 WeakPolarHBondContact OD1-CB 3.4Å; D87-T90 PolarHBondContact OD1-N 3.25Å; D87-T90 PolarHBondContact OD1-OG1 2.64Å; T90-K92 WeakPolarHBondContact OG1-CB 3.24Å; T90-K92 PolarHBondContact OG1-N 3.25Å |
| 91 | G | 98.3 | Very high | 98.6 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | trans | 77.4 | 4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D87 S93 | D87-G91 VanDerWaalsContact O-CA 3.25Å; D87-G91 WeakPolarHBondContact O-CA 3.35Å; D87-G91 PolarHBondContact O-N 3.06Å; G91-S93 PolarHBondContact O-N 3.26Å | ||
| 92 | K | 98.6 | Very high | 98.6 | Very high | 80 Ų | 80 | 38.4 Ų | 38.4 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | trans | -61.4 | 126.1 | 180 | -176.7 | -174.4 | 174 | -172.5 | 0 | 110.1 | I86 D87 T90 D124 E125 | I86-K92 WeakPolarHBondContact CA-O 3.46Å; D87-K92 HydrophobicContact CB-CB 4.24Å; D87-K92 PolarHBondContact N-O 3.11Å; T90-K92 WeakPolarHBondContact OG1-CB 3.24Å; T90-K92 PolarHBondContact OG1-N 3.25Å; K92-D124 HydrophobicContact CG-CB 3.8Å; K92-E125 VanDerWaalsContact CE-OE2 3.31Å; K92-E125 WeakPolarHBondContact CE-OE2 3.42Å; K92-E125 IonicContact NZ-OE2 3.64Å; K92-E125 PolarHBondContact NZ-OE2 3.07Å | ||
| 93 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.7 | -178.5 | 58.2 | 0 | 0 | 0 | 0 | 112 | R27 A85 G91 D124 E125 | R27-S93 VanDerWaalsContact NE-CB 3.34Å; R27-S93 PolarHBondContact NH2-OG 3.31Å; A85-S93 WeakPolarHBondContact O-CA 3.29Å; G91-S93 PolarHBondContact O-N 3.26Å; S93-D124 PolarHBondContact N-OD2 2.94Å; S93-D124 WeakPolarHBondContact O-CB 3.39Å; S93-D124 PolarHBondContact O-N 3Å; S93-D124 VanDerWaalsContact O-N 3.16Å; S93-D124 PolarHBondContact OG-N 3.31Å; S93-D124 PolarHBondContact OG-OD2 3.48Å; S93-E125 PolarHBondContact O-N 2.89Å; S93-E125 VanDerWaalsContact O-N 3.15Å |
| 94 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.6 | 178.5 | -47.5 | -178.3 | 0 | 0 | 0 | 108.3 | G84 A85 F96 E125 Q127 V135 M139 | G84-I94 CarbonylContact C-O 3.56Å; G84-I94 WeakPolarHBondContact CA-O 3.4Å; A85-I94 HydrophobicContact CB-CB 4.38Å; A85-I94 PolarHBondContact N-O 3.2Å; A85-I94 PolarHBondContact O-N 3.43Å; I94-F96 HydrophobicContact CB-CE2 4.19Å; I94-F96 HydrophobicContact CB-CZ 4.43Å; I94-F96 HydrophobicContact CG2-CD2 4.42Å; I94-F96 HydrophobicContact CG2-CE1 4.3Å; I94-F96 HydrophobicContact CG2-CE2 3.83Å; I94-F96 HydrophobicContact CG2-CZ 3.76Å; I94-E125 WeakPolarHBondContact CA-O 3.39Å; I94-E125 HydrophobicContact CB-CB 4.45Å; I94-E125 HydrophobicContact CG1-CB 4.15Å; I94-E125 HydrophobicContact CG2-CB 4.12Å; I94-E125 HydrophobicContact CG2-CG 4.22Å; I94-Q127 HydrophobicContact CG2-CG 4.29Å; I94-V135 HydrophobicContact CD1-CG1 4.39Å; I94-M139 HydrophobicContact CD1-CE 4.09Å; I94-M139 HydrophobicContact CD1-SD 3.59Å; I94-M139 VanDerWaalsContact CD1-SD 3.59Å |
| 95 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.6 | 172.4 | 179.2 | 65.3 | 0 | 0 | 0 | 109.8 | F71 V77 C82 F83 V97 F117 Y121 V123 E125 V126 Q127 | F71-L95 HydrophobicContact CZ-CD1 4.19Å; V77-L95 HydrophobicContact CG2-CD1 3.67Å; V77-L95 HydrophobicContact CG2-CD2 3.84Å; V77-L95 HydrophobicContact CG2-CG 4.43Å; C82-L95 HydrophobicContact CB-CD1 4.34Å; F83-L95 WeakPolarHBondContact O-CD1 3.25Å; L95-V97 HydrophobicContact CD2-CG1 3.92Å; L95-V97 HydrophobicContact CG-CG1 3.94Å; L95-F117 HydrophobicContact CD2-CB 4.4Å; L95-Y121 HydrophobicContact CD2-CD2 3.53Å; L95-Y121 HydrophobicContact CD2-CE2 4.13Å; L95-Y121 HydrophobicContact CD2-CG 4.33Å; L95-V123 HydrophobicContact CB-CG1 4.48Å; L95-V123 HydrophobicContact CB-CG2 4.02Å; L95-E125 PolarHBondContact N-O 2.91Å; L95-V126 HydrophobicContact CB-CG2 4.28Å; L95-V126 CarbonylContact O-C 3.49Å; L95-V126 VanDerWaalsContact O-CA 3.24Å; L95-V126 WeakPolarHBondContact O-CA 3.35Å; L95-Q127 PolarHBondContact O-N 3.31Å |
| 96 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.8 | 173.1 | -58.2 | -94.4 | 0 | 0 | 0 | 108.9 | C82 F83 A85 I94 Q127 T129 V132 V135 | C82-F96 CarbonylContact C-O 3.55Å; C82-F96 VanDerWaalsContact CA-O 3.22Å; C82-F96 WeakPolarHBondContact CA-O 3.3Å; C82-F96 WeakPolarHBondContact CB-O 3.28Å; F83-F96 HydrophobicContact CB-CB 3.97Å; F83-F96 HydrophobicContact CB-CD2 3.93Å; F83-F96 HydrophobicContact CB-CG 4.26Å; F83-F96 PolarHBondContact N-O 2.91Å; F83-F96 PolarHBondContact O-N 2.91Å; A85-F96 HydrophobicContact CB-CE2 3.9Å; I94-F96 HydrophobicContact CB-CE2 4.19Å; I94-F96 HydrophobicContact CB-CZ 4.43Å; I94-F96 HydrophobicContact CG2-CD2 4.42Å; I94-F96 HydrophobicContact CG2-CE1 4.3Å; I94-F96 HydrophobicContact CG2-CE2 3.83Å; I94-F96 HydrophobicContact CG2-CZ 3.76Å; F96-Q127 CarbonylContact C-O 3.55Å; F96-Q127 VanDerWaalsContact CA-O 3.27Å; F96-Q127 WeakPolarHBondContact CA-O 3.37Å; F96-Q127 HydrophobicContact CD1-CB 3.71Å; F96-Q127 HydrophobicContact CE1-CB 3.81Å; F96-Q127 HydrophobicContact CE1-CG 4.42Å; F96-T129 HydrophobicContact CB-CG2 4.12Å; F96-V132 HydrophobicContact CD1-CB 3.98Å; F96-V132 HydrophobicContact CD1-CG2 4.1Å; F96-V132 HydrophobicContact CD2-CG2 4.3Å; F96-V132 HydrophobicContact CE1-CB 4.08Å; F96-V132 HydrophobicContact CE1-CG2 4Å; F96-V132 HydrophobicContact CE2-CG2 4.19Å; F96-V132 HydrophobicContact CG-CB 4.45Å; F96-V132 HydrophobicContact CG-CG2 4.26Å; F96-V132 HydrophobicContact CZ-CG2 4.04Å; F96-V135 HydrophobicContact CE1-CB 3.86Å; F96-V135 HydrophobicContact CE1-CG1 3.9Å; F96-V135 HydrophobicContact CE1-CG2 4.15Å; F96-V135 HydrophobicContact CZ-CB 4.21Å; F96-V135 HydrophobicContact CZ-CG1 3.88Å |
| 97 | V | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 152.9 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | L95 K99 F117 V126 Q127 Y128 T129 | L95-V97 HydrophobicContact CD2-CG1 3.92Å; L95-V97 HydrophobicContact CG-CG1 3.94Å; V97-K99 PolarHBondContact O-N 2.69Å; V97-F117 HydrophobicContact CB-CD2 4.45Å; V97-F117 HydrophobicContact CG1-CB 4.32Å; V97-F117 HydrophobicContact CG1-CD1 4.36Å; V97-F117 HydrophobicContact CG1-CD2 4.08Å; V97-F117 HydrophobicContact CG1-CE2 4.49Å; V97-F117 HydrophobicContact CG1-CG 4Å; V97-F117 HydrophobicContact CG2-CD2 4.05Å; V97-F117 HydrophobicContact CG2-CE2 4.24Å; V97-V126 HydrophobicContact CG1-CG1 4.24Å; V97-V126 HydrophobicContact CG2-CG1 3.93Å; V97-Q127 PolarHBondContact N-O 3.48Å; V97-Y128 HydrophobicContact CG2-CD1 4.13Å; V97-Y128 HydrophobicContact CG2-CE1 4.36Å; V97-Y128 CarbonylContact O-C 3.57Å; V97-Y128 VanDerWaalsContact O-CA 3.22Å; V97-Y128 WeakPolarHBondContact O-CA 3.49Å; V97-T129 PolarHBondContact O-N 3.06Å |
| 98 | P | 98.5 | Very high | 98.3 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | trans | -57.8 | 138.2 | 175.4 | -26.3 | 35.3 | 0 | 0 | 0 | 112.3 | D81 L100 | D81-P98 HydrophobicContact CB-CG 3.83Å; P98-L100 HydrophobicContact CB-CD2 3.87Å; P98-L100 HydrophobicContact CB-CG 4.38Å; P98-L100 PolarHBondContact O-N 3.01Å | ||
| 99 | K | 98.3 | Very high | 98.2 | Very high | 143 Ų | 143 | 68.2 Ų | 68.2 | 62% | 0.622 | 37% | 0.365 | S | S | * | . | trans | -83.5 | 100.1 | 166.1 | -172.6 | 177.1 | -179.5 | 179.8 | 0 | 108.6 | V97 Y128 | V97-K99 PolarHBondContact O-N 2.69Å; K99-Y128 HydrophobicContact CB-CD1 3.82Å; K99-Y128 HydrophobicContact CB-CE1 4.35Å; K99-Y128 HydrophobicContact CB-CG 3.92Å; K99-Y128 HydrophobicContact CD-CD2 4.3Å; K99-Y128 HydrophobicContact CD-CG 4.49Å; K99-Y128 HydrophobicContact CG-CD1 4.29Å; K99-Y128 HydrophobicContact CG-CD2 4.48Å; K99-Y128 HydrophobicContact CG-CE1 4.4Å; K99-Y128 HydrophobicContact CG-CG 4.34Å | ||
| 100 | L | 98.3 | Very high | 98.2 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | trans | -78.9 | 143.6 | -171.8 | -60.5 | 171.4 | 0 | 0 | 0 | 112.2 | P98 Y104 I111 | P98-L100 HydrophobicContact CB-CD2 3.87Å; P98-L100 HydrophobicContact CB-CG 4.38Å; P98-L100 PolarHBondContact O-N 3.01Å; L100-Y104 HydrophobicContact CB-CD2 4.33Å; L100-Y104 HydrophobicContact CB-CG 4.1Å; L100-Y104 HydrophobicContact CD1-CD1 3.74Å; L100-Y104 HydrophobicContact CD1-CD2 3.93Å; L100-Y104 HydrophobicContact CD1-CE1 3.66Å; L100-Y104 HydrophobicContact CD1-CE2 3.84Å; L100-Y104 HydrophobicContact CD1-CG 3.87Å; L100-Y104 HydrophobicContact CD2-CD2 3.75Å; L100-Y104 HydrophobicContact CD2-CE2 3.84Å; L100-Y104 HydrophobicContact CD2-CG 4.34Å; L100-Y104 HydrophobicContact CG-CD2 4.22Å; L100-Y104 HydrophobicContact CG-CE2 4.41Å; L100-Y104 HydrophobicContact CG-CG 4.32Å; L100-I111 HydrophobicContact CB-CG2 4.41Å | ||
| 101 | P | 98.1 | Very high | 98.2 | Very high | 77 Ų | 77 | 70 Ų | 70 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | trans | -73.2 | 158.8 | 174 | 32.4 | -35.8 | 0 | 0 | 0 | 111.2 | S103 Y104 I111 | P101-S103 PolarHBondContact O-N 2.99Å; P101-S103 VanDerWaalsContact O-N 3.16Å; P101-Y104 WeakPolarHBondContact O-CB 3.43Å; P101-Y104 PolarHBondContact O-N 2.95Å; P101-I111 VanDerWaalsContact O-CD1 3.29Å; P101-I111 WeakPolarHBondContact O-CD1 3.24Å | ||
| 102 | E | 98.1 | Very high | 98.2 | Very high | 174 Ų | 174 | 72.3 Ų | 72.3 | 81% | 0.813 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.2 | 178.6 | -174.6 | -179.5 | 177.4 | 0 | 0 | 112.9 | Y104 A105 | E102-Y104 PolarHBondContact O-N 3.19Å; E102-Y104 VanDerWaalsContact O-N 3.11Å; E102-A105 WeakPolarHBondContact O-CB 3.29Å; E102-A105 PolarHBondContact O-N 3.48Å; E102-A105 VanDerWaalsContact O-N 3.08Å |
| 103 | S | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 72.3 Ų | 72.3 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.6 | 177.9 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | P101 A105 T106 W107 | P101-S103 PolarHBondContact O-N 2.99Å; P101-S103 VanDerWaalsContact O-N 3.16Å; S103-A105 PolarHBondContact O-N 3.5Å; S103-T106 WeakPolarHBondContact O-CB 3.44Å; S103-T106 PolarHBondContact O-N 2.88Å; S103-W107 PolarHBondContact O-N 2.91Å |
| 104 | Y | 98 | Very high | 98.2 | Very high | 73 Ų | 73 | 75.2 Ų | 75.2 | 29% | 0.286 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.2 | -36.7 | 175.8 | -170 | -84.3 | 0 | 0 | 0 | 111.8 | L100 P101 E102 T106 W107 M108 G109 I111 | L100-Y104 HydrophobicContact CB-CD2 4.33Å; L100-Y104 HydrophobicContact CB-CG 4.1Å; L100-Y104 HydrophobicContact CD1-CD1 3.74Å; L100-Y104 HydrophobicContact CD1-CD2 3.93Å; L100-Y104 HydrophobicContact CD1-CE1 3.66Å; L100-Y104 HydrophobicContact CD1-CE2 3.84Å; L100-Y104 HydrophobicContact CD1-CG 3.87Å; L100-Y104 HydrophobicContact CD2-CD2 3.75Å; L100-Y104 HydrophobicContact CD2-CE2 3.84Å; L100-Y104 HydrophobicContact CD2-CG 4.34Å; L100-Y104 HydrophobicContact CG-CD2 4.22Å; L100-Y104 HydrophobicContact CG-CE2 4.41Å; L100-Y104 HydrophobicContact CG-CG 4.32Å; P101-Y104 WeakPolarHBondContact O-CB 3.43Å; P101-Y104 PolarHBondContact O-N 2.95Å; E102-Y104 PolarHBondContact O-N 3.19Å; E102-Y104 VanDerWaalsContact O-N 3.11Å; Y104-T106 PolarHBondContact O-N 3.32Å; Y104-W107 PolarHBondContact O-N 3.08Å; Y104-M108 HydrophobicContact CD1-CB 3.82Å; Y104-M108 HydrophobicContact CD2-CB 3.69Å; Y104-M108 HydrophobicContact CD2-CG 3.72Å; Y104-M108 HydrophobicContact CE1-CB 3.53Å; Y104-M108 HydrophobicContact CE2-CB 3.41Å; Y104-M108 VanDerWaalsContact CE2-CB 3.41Å; Y104-M108 HydrophobicContact CE2-CG 3.62Å; Y104-M108 HydrophobicContact CG-CB 3.9Å; Y104-M108 HydrophobicContact CG-CG 4.28Å; Y104-M108 PolarHBondContact O-N 3.24Å; Y104-G109 WeakPolarHBondContact CD1-O 3.05Å; Y104-G109 PolarHBondContact O-N 2.96Å; Y104-I111 HydrophobicContact CD1-CG1 4.03Å |
| 105 | A | 98 | Very high | 98.2 | Very high | 57 Ų | 57 | 79.8 Ų | 79.8 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.6 | -30.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E102 S103 G109 I111 | E102-A105 WeakPolarHBondContact O-CB 3.29Å; E102-A105 PolarHBondContact O-N 3.48Å; E102-A105 VanDerWaalsContact O-N 3.08Å; S103-A105 PolarHBondContact O-N 3.5Å; A105-G109 VanDerWaalsContact CA-O 3.24Å; A105-G109 WeakPolarHBondContact CA-O 3.28Å; A105-I111 HydrophobicContact CB-CD1 4.09Å; A105-I111 HydrophobicContact CB-CG1 4.23Å |
| 106 | T | 98.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 82.6 Ų | 82.6 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -80.7 | -39.7 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | S103 Y104 | S103-T106 WeakPolarHBondContact O-CB 3.44Å; S103-T106 PolarHBondContact O-N 2.88Å; Y104-T106 PolarHBondContact O-N 3.32Å |
| 107 | W | 97.9 | Very high | 98.1 | Very high | 211 Ų | 211 | 83.5 Ų | 83.5 | 80% | 0.799 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -99.9 | -39.2 | -167.8 | -65.3 | 102.5 | 0 | 0 | 0 | 114.3 | S103 Y104 | S103-W107 PolarHBondContact O-N 2.91Å; Y104-W107 PolarHBondContact O-N 3.08Å |
| 108 | M | 96.7 | Very high | 98.1 | Very high | 121 Ų | 121 | 86.6 Ų | 86.6 | 60% | 0.596 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -23.7 | -164.5 | -56.9 | -58.7 | -73.9 | 0 | 0 | 113 | Y104 | Y104-M108 HydrophobicContact CD1-CB 3.82Å; Y104-M108 HydrophobicContact CD2-CB 3.69Å; Y104-M108 HydrophobicContact CD2-CG 3.72Å; Y104-M108 HydrophobicContact CE1-CB 3.53Å; Y104-M108 HydrophobicContact CE2-CB 3.41Å; Y104-M108 VanDerWaalsContact CE2-CB 3.41Å; Y104-M108 HydrophobicContact CE2-CG 3.62Å; Y104-M108 HydrophobicContact CG-CB 3.9Å; Y104-M108 HydrophobicContact CG-CG 4.28Å; Y104-M108 PolarHBondContact O-N 3.24Å |
| 109 | G | 97.3 | Very high | 98.1 | Very high | 33 Ų | 33 | 91.1 Ų | 91.1 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | trans | 129.6 | -169.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y104 A105 | Y104-G109 WeakPolarHBondContact CD1-O 3.05Å; Y104-G109 PolarHBondContact O-N 2.96Å; A105-G109 VanDerWaalsContact CA-O 3.24Å; A105-G109 WeakPolarHBondContact CA-O 3.28Å | ||
| 110 | E | 97.8 | Very high | 98.1 | Very high | 135 Ų | 135 | 87.8 Ų | 87.8 | 63% | 0.631 | 45% | 0.446 | S | S | * | . | trans | -58.1 | 136.9 | -174.7 | -173.4 | 172.6 | 177.1 | 0 | 0 | 113 | F112 | E110-F112 HydrophobicContact CB-CE1 4.06Å; E110-F112 HydrophobicContact CB-CE2 4.21Å; E110-F112 HydrophobicContact CB-CZ 3.84Å; E110-F112 VanDerWaalsContact CD-CE1 3.45Å; E110-F112 HydrophobicContact CG-CD1 4.13Å; E110-F112 HydrophobicContact CG-CE1 3.84Å; E110-F112 HydrophobicContact CG-CZ 4.16Å; E110-F112 PolarHBondContact O-N 3.44Å; E110-F112 WeakPolarHBondContact OE2-CE1 3.36Å | ||
| 111 | I | 98.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 85.1 Ų | 85.1 | 35% | 0.349 | 43% | 0.432 | S | S | . | . | trans | -87.5 | 98.5 | 173.5 | -58.7 | 174.1 | 0 | 0 | 0 | 108.2 | L100 P101 Y104 A105 | L100-I111 HydrophobicContact CB-CG2 4.41Å; P101-I111 VanDerWaalsContact O-CD1 3.29Å; P101-I111 WeakPolarHBondContact O-CD1 3.24Å; Y104-I111 HydrophobicContact CD1-CG1 4.03Å; A105-I111 HydrophobicContact CB-CD1 4.09Å; A105-I111 HydrophobicContact CB-CG1 4.23Å | ||
| 112 | F | 98.2 | Very high | 98.1 | Very high | 74 Ų | 74 | 83.4 Ų | 83.4 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | trans | -75 | 141.9 | -178.4 | -64.9 | -68 | 0 | 0 | 0 | 112.9 | E110 H116 F117 | E110-F112 HydrophobicContact CB-CE1 4.06Å; E110-F112 HydrophobicContact CB-CE2 4.21Å; E110-F112 HydrophobicContact CB-CZ 3.84Å; E110-F112 VanDerWaalsContact CD-CE1 3.45Å; E110-F112 HydrophobicContact CG-CD1 4.13Å; E110-F112 HydrophobicContact CG-CE1 3.84Å; E110-F112 HydrophobicContact CG-CZ 4.16Å; E110-F112 PolarHBondContact O-N 3.44Å; E110-F112 WeakPolarHBondContact OE2-CE1 3.36Å; F112-H116 HydrophobicContact CB-CB 3.87Å; F112-H116 HydrophobicContact CD1-CB 4.38Å; F112-H116 AromaticContact CD1-CD2 3.94Å; F112-H116 AromaticContact CD1-CE1 3.83Å; F112-H116 AromaticContact CD1-CG 3.75Å; F112-H116 AromaticContact CD1-ND1 3.69Å; F112-H116 AromaticContact CD2-NE2 3.96Å; F112-H116 AromaticContact CE1-CE1 3.95Å; F112-H116 HydrophobicContact CG-CB 4.4Å; F112-H116 AromaticContact CG-CD2 3.56Å; F112-H116 AromaticContact CG-CG 3.78Å; F112-H116 AromaticContact CG-NE2 3.82Å; F112-F117 HydrophobicContact CB-CE2 3.87Å; F112-F117 HydrophobicContact CB-CZ 4.02Å | ||
| 113 | P | 98.1 | Very high | 98.1 | Very high | 79 Ų | 79 | 75.4 Ų | 75.4 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | trans | -72.5 | 161.8 | 173 | 31.8 | -35.6 | 0 | 0 | 0 | 111.4 | E115 H116 | P113-E115 PolarHBondContact O-N 3.16Å; P113-E115 VanDerWaalsContact O-N 3.12Å; P113-H116 HydrophobicContact CG-CB 4.33Å; P113-H116 VanDerWaalsContact O-CB 3.26Å; P113-H116 WeakPolarHBondContact O-CB 3.34Å; P113-H116 PolarHBondContact O-N 3.21Å | ||
| 114 | K | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 76.8 Ų | 76.8 | 27% | 0.27 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -53.5 | -36 | 179.3 | -61.2 | -167 | -60.7 | 164.4 | 0 | 114.2 | H116 F117 K118 V126 Y128 | K114-H116 VanDerWaalsContact C-N 3.27Å; K114-H116 PolarHBondContact O-N 2.98Å; K114-F117 PolarHBondContact O-N 3.31Å; K114-K118 PolarHBondContact O-N 3.3Å; K114-K118 VanDerWaalsContact O-N 3.11Å; K114-V126 HydrophobicContact CB-CB 4.04Å; K114-V126 HydrophobicContact CB-CG1 3.82Å; K114-V126 HydrophobicContact CD-CG1 4.44Å; K114-V126 WeakPolarHBondContact CD-O 3.22Å; K114-V126 HydrophobicContact CG-CG1 4.13Å; K114-V126 PolarHBondContact NZ-O 3.16Å; K114-Y128 HydrophobicContact CD-CD1 4.44Å; K114-Y128 HydrophobicContact CD-CD2 4.2Å; K114-Y128 HydrophobicContact CD-CE1 4.15Å; K114-Y128 HydrophobicContact CD-CE2 3.89Å; K114-Y128 HydrophobicContact CD-CG 4.46Å; K114-Y128 HydrophobicContact CG-CE1 3.86Å; K114-Y128 HydrophobicContact CG-CE2 4.28Å |
| 115 | E | 98.4 | Very high | 98.1 | Very high | 97 Ų | 97 | 75.4 Ų | 75.4 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.4 | -32.3 | 179.7 | -158.9 | 65 | -155.5 | 0 | 0 | 112.1 | P113 F117 K118 E119 | P113-E115 PolarHBondContact O-N 3.16Å; P113-E115 VanDerWaalsContact O-N 3.12Å; E115-F117 PolarHBondContact O-N 2.89Å; E115-K118 WeakPolarHBondContact O-CB 3.39Å; E115-K118 PolarHBondContact O-N 2.99Å; E115-K118 WeakPolarHBondContact OE1-CD 3.49Å; E115-K118 IonicContact OE1-NZ 2.7Å; E115-K118 PolarHBondContact OE1-NZ 2.79Å; E115-K118 VanDerWaalsContact OE1-NZ 3.11Å; E115-K118 IonicContact OE2-NZ 3.11Å; E115-E119 WeakPolarHBondContact O-CG 3.32Å; E115-E119 PolarHBondContact O-N 3.03Å |
| 116 | H | 98.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 73 Ų | 73 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 174.5 | 171.5 | 86.7 | 0 | 0 | 0 | 111.3 | F112 P113 K114 K118 E119 K120 | F112-H116 HydrophobicContact CB-CB 3.87Å; F112-H116 HydrophobicContact CD1-CB 4.38Å; F112-H116 AromaticContact CD1-CD2 3.94Å; F112-H116 AromaticContact CD1-CE1 3.83Å; F112-H116 AromaticContact CD1-CG 3.75Å; F112-H116 AromaticContact CD1-ND1 3.69Å; F112-H116 AromaticContact CD2-NE2 3.96Å; F112-H116 AromaticContact CE1-CE1 3.95Å; F112-H116 HydrophobicContact CG-CB 4.4Å; F112-H116 AromaticContact CG-CD2 3.56Å; F112-H116 AromaticContact CG-CG 3.78Å; F112-H116 AromaticContact CG-NE2 3.82Å; P113-H116 HydrophobicContact CG-CB 4.33Å; P113-H116 VanDerWaalsContact O-CB 3.26Å; P113-H116 WeakPolarHBondContact O-CB 3.34Å; P113-H116 PolarHBondContact O-N 3.21Å; K114-H116 VanDerWaalsContact C-N 3.27Å; K114-H116 PolarHBondContact O-N 2.98Å; H116-K118 VanDerWaalsContact C-N 3.32Å; H116-K118 PolarHBondContact O-N 3.19Å; H116-E119 PolarHBondContact O-N 2.82Å; H116-K120 VanDerWaalsContact O-CB 3.22Å; H116-K120 WeakPolarHBondContact O-CB 3.23Å; H116-K120 PolarHBondContact O-N 3.46Å |
| 117 | F | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.6 | -33 | 179.5 | -64.5 | -70.6 | 0 | 0 | 0 | 112.4 | E79 L95 V97 F112 K114 E115 K120 Y121 V126 | E79-F117 HydrophobicContact CG-CE1 4.21Å; L95-F117 HydrophobicContact CD2-CB 4.4Å; V97-F117 HydrophobicContact CB-CD2 4.45Å; V97-F117 HydrophobicContact CG1-CB 4.32Å; V97-F117 HydrophobicContact CG1-CD1 4.36Å; V97-F117 HydrophobicContact CG1-CD2 4.08Å; V97-F117 HydrophobicContact CG1-CE2 4.49Å; V97-F117 HydrophobicContact CG1-CG 4Å; V97-F117 HydrophobicContact CG2-CD2 4.05Å; V97-F117 HydrophobicContact CG2-CE2 4.24Å; F112-F117 HydrophobicContact CB-CE2 3.87Å; F112-F117 HydrophobicContact CB-CZ 4.02Å; K114-F117 PolarHBondContact O-N 3.31Å; E115-F117 PolarHBondContact O-N 2.89Å; F117-K120 PolarHBondContact O-N 2.82Å; F117-Y121 HydrophobicContact CB-CD2 4.38Å; F117-Y121 HydrophobicContact CD1-CD2 4.46Å; F117-Y121 AromaticContact CD1-CE2 3.99Å; F117-Y121 HydrophobicContact CD1-CE2 3.99Å; F117-Y121 WeakPolarHBondContact O-CB 3.13Å; F117-Y121 WeakPolarHBondContact O-CD2 3.29Å; F117-Y121 PolarHBondContact O-N 2.89Å; F117-V126 HydrophobicContact CB-CG1 4.26Å; F117-V126 HydrophobicContact CB-CG2 4.2Å |
| 118 | K | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 62.5 Ų | 62.5 | 30% | 0.296 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 176.7 | -171.4 | -178.9 | 158.9 | -155.8 | 0 | 110.8 | K114 E115 H116 A122 V123 D124 V126 | K114-K118 PolarHBondContact O-N 3.3Å; K114-K118 VanDerWaalsContact O-N 3.11Å; E115-K118 WeakPolarHBondContact O-CB 3.39Å; E115-K118 PolarHBondContact O-N 2.99Å; E115-K118 WeakPolarHBondContact OE1-CD 3.49Å; E115-K118 IonicContact OE1-NZ 2.7Å; E115-K118 PolarHBondContact OE1-NZ 2.79Å; E115-K118 VanDerWaalsContact OE1-NZ 3.11Å; E115-K118 IonicContact OE2-NZ 3.11Å; H116-K118 VanDerWaalsContact C-N 3.32Å; H116-K118 PolarHBondContact O-N 3.19Å; K118-A122 WeakPolarHBondContact O-CA 3.39Å; K118-A122 PolarHBondContact O-N 3.46Å; K118-V123 HydrophobicContact CG-CG2 4.47Å; K118-V123 VanDerWaalsContact CG-O 3.27Å; K118-V123 WeakPolarHBondContact CG-O 3.29Å; K118-V123 PolarHBondContact O-N 3.21Å; K118-D124 WeakPolarHBondContact CE-O 3.42Å; K118-V126 HydrophobicContact CB-CB 4.49Å; K118-V126 HydrophobicContact CB-CG2 3.62Å; K118-V126 HydrophobicContact CG-CG2 4.31Å |
| 119 | E | 97.7 | Very high | 98.3 | Very high | 126 Ų | 126 | 58.4 Ų | 58.4 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.7 | -47.8 | 173.8 | -69.8 | 177.5 | -176.8 | 0 | 0 | 111 | P7 E115 H116 Y121 A122 | P7-E119 WeakPolarHBondContact CB-O 3.33Å; P7-E119 WeakPolarHBondContact CG-O 3.41Å; E115-E119 WeakPolarHBondContact O-CG 3.32Å; E115-E119 PolarHBondContact O-N 3.03Å; H116-E119 PolarHBondContact O-N 2.82Å; E119-Y121 PolarHBondContact O-N 2.81Å; E119-A122 PolarHBondContact O-N 2.72Å |
| 120 | K | 98 | Very high | 98.3 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.3 | -43.6 | -178.7 | -178.6 | 178.6 | 176.1 | -177.8 | 0 | 113.2 | P7 E79 H116 F117 | P7-K120 WeakPolarHBondContact CB-O 3.4Å; E79-K120 IonicContact OE1-NZ 3.84Å; E79-K120 PolarHBondContact OE1-NZ 3.1Å; H116-K120 VanDerWaalsContact O-CB 3.22Å; H116-K120 WeakPolarHBondContact O-CB 3.23Å; H116-K120 PolarHBondContact O-N 3.46Å; F117-K120 PolarHBondContact O-N 2.82Å |
| 121 | Y | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -103.1 | 1.3 | -173.1 | -65.5 | -58.3 | 0 | 0 | 0 | 114.8 | G76 V77 T78 E79 L95 F117 E119 V123 | G76-Y121 WeakPolarHBondContact O-CE1 3.25Å; V77-Y121 HydrophobicContact CB-CE1 4.35Å; V77-Y121 HydrophobicContact CB-CE2 4.36Å; V77-Y121 HydrophobicContact CG1-CE2 4.25Å; V77-Y121 HydrophobicContact CG2-CD1 4.02Å; V77-Y121 HydrophobicContact CG2-CD2 3.87Å; V77-Y121 HydrophobicContact CG2-CE1 4.05Å; V77-Y121 HydrophobicContact CG2-CE2 3.82Å; V77-Y121 HydrophobicContact CG2-CG 3.96Å; T78-Y121 PolarHBondContact N-OH 3.39Å; T78-Y121 PolarHBondContact OG1-OH 3.15Å; T78-Y121 VanDerWaalsContact OG1-OH 3.12Å; E79-Y121 VanDerWaalsContact CD-OH 3.23Å; E79-Y121 PolarHBondContact OE1-OH 3.12Å; E79-Y121 WeakPolarHBondContact OE2-CE2 3.4Å; E79-Y121 VanDerWaalsContact OE2-CZ 3.27Å; E79-Y121 PolarHBondContact OE2-OH 3.46Å; L95-Y121 HydrophobicContact CD2-CD2 3.53Å; L95-Y121 HydrophobicContact CD2-CE2 4.13Å; L95-Y121 HydrophobicContact CD2-CG 4.33Å; F117-Y121 HydrophobicContact CB-CD2 4.38Å; F117-Y121 HydrophobicContact CD1-CD2 4.46Å; F117-Y121 AromaticContact CD1-CE2 3.99Å; F117-Y121 HydrophobicContact CD1-CE2 3.99Å; F117-Y121 WeakPolarHBondContact O-CB 3.13Å; F117-Y121 WeakPolarHBondContact O-CD2 3.29Å; F117-Y121 PolarHBondContact O-N 2.89Å; E119-Y121 PolarHBondContact O-N 2.81Å; Y121-V123 PolarHBondContact O-N 3.44Å |
| 122 | A | 97.5 | Very high | 98.4 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 43.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P7 A20 R27 K118 E119 | P7-A122 HydrophobicContact CG-CB 4.1Å; A20-A122 HydrophobicContact CB-CB 3.83Å; R27-A122 PolarHBondContact NH2-O 3.44Å; K118-A122 WeakPolarHBondContact O-CA 3.39Å; K118-A122 PolarHBondContact O-N 3.46Å; E119-A122 PolarHBondContact O-N 2.72Å |
| 123 | V | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | trans | -95.3 | 159.3 | 174.4 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | F75 L95 K118 Y121 V126 | F75-V123 HydrophobicContact CD1-CG1 4.15Å; L95-V123 HydrophobicContact CB-CG1 4.48Å; L95-V123 HydrophobicContact CB-CG2 4.02Å; K118-V123 HydrophobicContact CG-CG2 4.47Å; K118-V123 VanDerWaalsContact CG-O 3.27Å; K118-V123 WeakPolarHBondContact CG-O 3.29Å; K118-V123 PolarHBondContact O-N 3.21Å; Y121-V123 PolarHBondContact O-N 3.44Å; V123-V126 HydrophobicContact CG2-CG2 3.71Å | ||
| 124 | D | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -75.9 | -32.2 | -175.8 | -55.2 | -81 | 0 | 0 | 0 | 112.2 | K92 S93 K118 | K92-D124 HydrophobicContact CG-CB 3.8Å; S93-D124 PolarHBondContact N-OD2 2.94Å; S93-D124 WeakPolarHBondContact O-CB 3.39Å; S93-D124 PolarHBondContact O-N 3Å; S93-D124 VanDerWaalsContact O-N 3.16Å; S93-D124 PolarHBondContact OG-N 3.31Å; S93-D124 PolarHBondContact OG-OD2 3.48Å; K118-D124 WeakPolarHBondContact CE-O 3.42Å |
| 125 | E | 98.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 146.5 | -176.3 | -170.8 | 175.1 | 149.9 | 0 | 0 | 112 | K92 S93 I94 L95 Q127 | K92-E125 VanDerWaalsContact CE-OE2 3.31Å; K92-E125 WeakPolarHBondContact CE-OE2 3.42Å; K92-E125 IonicContact NZ-OE2 3.64Å; K92-E125 PolarHBondContact NZ-OE2 3.07Å; S93-E125 PolarHBondContact O-N 2.89Å; S93-E125 VanDerWaalsContact O-N 3.15Å; I94-E125 WeakPolarHBondContact CA-O 3.39Å; I94-E125 HydrophobicContact CB-CB 4.45Å; I94-E125 HydrophobicContact CG1-CB 4.15Å; I94-E125 HydrophobicContact CG2-CB 4.12Å; I94-E125 HydrophobicContact CG2-CG 4.22Å; L95-E125 PolarHBondContact N-O 2.91Å; E125-Q127 HydrophobicContact CG-CG 4.26Å; E125-Q127 WeakPolarHBondContact OE1-CG 3.16Å; E125-Q127 PolarHBondContact OE1-NE2 3.48Å |
| 126 | V | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.7 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | L95 V97 K114 F117 K118 V123 | L95-V126 HydrophobicContact CB-CG2 4.28Å; L95-V126 CarbonylContact O-C 3.49Å; L95-V126 VanDerWaalsContact O-CA 3.24Å; L95-V126 WeakPolarHBondContact O-CA 3.35Å; V97-V126 HydrophobicContact CG1-CG1 4.24Å; V97-V126 HydrophobicContact CG2-CG1 3.93Å; K114-V126 HydrophobicContact CB-CB 4.04Å; K114-V126 HydrophobicContact CB-CG1 3.82Å; K114-V126 HydrophobicContact CD-CG1 4.44Å; K114-V126 WeakPolarHBondContact CD-O 3.22Å; K114-V126 HydrophobicContact CG-CG1 4.13Å; K114-V126 PolarHBondContact NZ-O 3.16Å; F117-V126 HydrophobicContact CB-CG1 4.26Å; F117-V126 HydrophobicContact CB-CG2 4.2Å; K118-V126 HydrophobicContact CB-CB 4.49Å; K118-V126 HydrophobicContact CB-CG2 3.62Å; K118-V126 HydrophobicContact CG-CG2 4.31Å; V123-V126 HydrophobicContact CG2-CG2 3.71Å |
| 127 | Q | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 173.4 | 176.5 | -61.5 | -61.7 | -7.8 | 0 | 0 | 110.7 | I94 L95 F96 V97 E125 V135 | I94-Q127 HydrophobicContact CG2-CG 4.29Å; L95-Q127 PolarHBondContact O-N 3.31Å; F96-Q127 CarbonylContact C-O 3.55Å; F96-Q127 VanDerWaalsContact CA-O 3.27Å; F96-Q127 WeakPolarHBondContact CA-O 3.37Å; F96-Q127 HydrophobicContact CD1-CB 3.71Å; F96-Q127 HydrophobicContact CE1-CB 3.81Å; F96-Q127 HydrophobicContact CE1-CG 4.42Å; V97-Q127 PolarHBondContact N-O 3.48Å; E125-Q127 HydrophobicContact CG-CG 4.26Å; E125-Q127 WeakPolarHBondContact OE1-CG 3.16Å; E125-Q127 PolarHBondContact OE1-NE2 3.48Å; Q127-V135 HydrophobicContact CB-CG2 4.16Å; Q127-V135 HydrophobicContact CG-CG1 4.31Å; Q127-V135 HydrophobicContact CG-CG2 3.84Å |
| 128 | Y | 98.8 | Very high | 98.4 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 149.3 | 174.3 | -64.2 | -59.7 | 0 | 0 | 0 | 111.3 | V97 K99 K114 C130 D131 | V97-Y128 HydrophobicContact CG2-CD1 4.13Å; V97-Y128 HydrophobicContact CG2-CE1 4.36Å; V97-Y128 CarbonylContact O-C 3.57Å; V97-Y128 VanDerWaalsContact O-CA 3.22Å; V97-Y128 WeakPolarHBondContact O-CA 3.49Å; K99-Y128 HydrophobicContact CB-CD1 3.82Å; K99-Y128 HydrophobicContact CB-CE1 4.35Å; K99-Y128 HydrophobicContact CB-CG 3.92Å; K99-Y128 HydrophobicContact CD-CD2 4.3Å; K99-Y128 HydrophobicContact CD-CG 4.49Å; K99-Y128 HydrophobicContact CG-CD1 4.29Å; K99-Y128 HydrophobicContact CG-CD2 4.48Å; K99-Y128 HydrophobicContact CG-CE1 4.4Å; K99-Y128 HydrophobicContact CG-CG 4.34Å; K114-Y128 HydrophobicContact CD-CD1 4.44Å; K114-Y128 HydrophobicContact CD-CD2 4.2Å; K114-Y128 HydrophobicContact CD-CE1 4.15Å; K114-Y128 HydrophobicContact CD-CE2 3.89Å; K114-Y128 HydrophobicContact CD-CG 4.46Å; K114-Y128 HydrophobicContact CG-CE1 3.86Å; K114-Y128 HydrophobicContact CG-CE2 4.28Å; Y128-C130 PolarHBondContact O-N 2.98Å; Y128-D131 PolarHBondContact O-N 2.67Å |
| 129 | T | 98.3 | Very high | 98.3 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -58.1 | -34.5 | 178 | 52.7 | 0 | 0 | 0 | 0 | 113 | D81 F83 F96 V97 D131 V132 | D81-T129 WeakPolarHBondContact O-CG2 3.43Å; F83-T129 HydrophobicContact CD2-CG2 4.08Å; F96-T129 HydrophobicContact CB-CG2 4.12Å; V97-T129 PolarHBondContact O-N 3.06Å; T129-D131 PolarHBondContact O-N 3.16Å; T129-V132 WeakPolarHBondContact O-CB 3.4Å; T129-V132 VanDerWaalsContact O-CG1 3.26Å; T129-V132 WeakPolarHBondContact O-CG1 3.44Å; T129-V132 PolarHBondContact O-N 3.07Å |
| 130 | C | 97.9 | Very high | 98.3 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 58% | 0.581 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -64.8 | -18.3 | 174.8 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | Y128 | Y128-C130 PolarHBondContact O-N 2.98Š|
| 131 | D | 98.3 | Very high | 98.3 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -100.1 | 2.2 | -177.4 | -57.4 | -33.1 | 0 | 0 | 0 | 112.4 | Y128 T129 A133 Q134 V135 | Y128-D131 PolarHBondContact O-N 2.67Å; T129-D131 PolarHBondContact O-N 3.16Å; D131-A133 VanDerWaalsContact C-N 3.35Å; D131-A133 PolarHBondContact O-N 3.07Å; D131-Q134 PolarHBondContact O-N 2.92Å; D131-Q134 VanDerWaalsContact O-N 3.15Å; D131-V135 HydrophobicContact CB-CG2 4.24Å; D131-V135 VanDerWaalsContact O-CG2 3.31Å; D131-V135 WeakPolarHBondContact O-CG2 2.88Å; D131-V135 PolarHBondContact O-N 3.11Å |
| 132 | V | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.1 | -45.8 | -172.3 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | F96 T129 Q134 V135 L136 F163 | F96-V132 HydrophobicContact CD1-CB 3.98Å; F96-V132 HydrophobicContact CD1-CG2 4.1Å; F96-V132 HydrophobicContact CD2-CG2 4.3Å; F96-V132 HydrophobicContact CE1-CB 4.08Å; F96-V132 HydrophobicContact CE1-CG2 4Å; F96-V132 HydrophobicContact CE2-CG2 4.19Å; F96-V132 HydrophobicContact CG-CB 4.45Å; F96-V132 HydrophobicContact CG-CG2 4.26Å; F96-V132 HydrophobicContact CZ-CG2 4.04Å; T129-V132 WeakPolarHBondContact O-CB 3.4Å; T129-V132 VanDerWaalsContact O-CG1 3.26Å; T129-V132 WeakPolarHBondContact O-CG1 3.44Å; T129-V132 PolarHBondContact O-N 3.07Å; V132-Q134 PolarHBondContact O-N 3.2Å; V132-V135 PolarHBondContact O-N 3.41Å; V132-L136 HydrophobicContact CG2-CD1 3.91Å; V132-L136 HydrophobicContact CG2-CG 4.39Å; V132-L136 WeakPolarHBondContact O-CB 3.3Å; V132-L136 VanDerWaalsContact O-CG 3.28Å; V132-L136 WeakPolarHBondContact O-CG 3.42Å; V132-L136 PolarHBondContact O-N 3Å; V132-F163 HydrophobicContact CG1-CB 3.72Å; V132-F163 HydrophobicContact CG1-CD1 4.28Å; V132-F163 HydrophobicContact CG1-CD2 3.61Å; V132-F163 HydrophobicContact CG1-CE2 4.32Å; V132-F163 HydrophobicContact CG1-CG 3.6Å; V132-F163 HydrophobicContact CG2-CD1 4.4Å |
| 133 | A | 98.5 | Very high | 98.4 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D131 V135 L136 S137 F163 | D131-A133 VanDerWaalsContact C-N 3.35Å; D131-A133 PolarHBondContact O-N 3.07Å; A133-V135 PolarHBondContact O-N 3.17Å; A133-L136 PolarHBondContact O-N 3.04Å; A133-S137 WeakPolarHBondContact O-CB 3.39Å; A133-S137 PolarHBondContact O-N 2.86Å; A133-S137 PolarHBondContact O-OG 3.49Å; A133-S137 VanDerWaalsContact O-OG 3.04Å; A133-F163 HydrophobicContact CB-CD2 3.99Å; A133-F163 HydrophobicContact CB-CE2 3.64Å |
| 134 | Q | 98.5 | Very high | 98.4 | Very high | 116 Ų | 116 | 49.5 Ų | 49.5 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | -177.9 | -177.7 | 59.2 | 70.4 | 0 | 0 | 112 | D131 V132 S137 N138 | D131-Q134 PolarHBondContact O-N 2.92Å; D131-Q134 VanDerWaalsContact O-N 3.15Å; V132-Q134 PolarHBondContact O-N 3.2Å; Q134-S137 PolarHBondContact O-N 3.42Å; Q134-N138 PolarHBondContact NE2-ND2 3.09Å; Q134-N138 PolarHBondContact NE2-OD1 3.48Å; Q134-N138 WeakPolarHBondContact O-CB 3.49Å; Q134-N138 PolarHBondContact O-N 3.42Å; Q134-N138 PolarHBondContact O-ND2 2.91Å |
| 135 | V | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -48.9 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | I94 F96 Q127 D131 V132 A133 S137 N138 M139 | I94-V135 HydrophobicContact CD1-CG1 4.39Å; F96-V135 HydrophobicContact CE1-CB 3.86Å; F96-V135 HydrophobicContact CE1-CG1 3.9Å; F96-V135 HydrophobicContact CE1-CG2 4.15Å; F96-V135 HydrophobicContact CZ-CB 4.21Å; F96-V135 HydrophobicContact CZ-CG1 3.88Å; Q127-V135 HydrophobicContact CB-CG2 4.16Å; Q127-V135 HydrophobicContact CG-CG1 4.31Å; Q127-V135 HydrophobicContact CG-CG2 3.84Å; D131-V135 HydrophobicContact CB-CG2 4.24Å; D131-V135 VanDerWaalsContact O-CG2 3.31Å; D131-V135 WeakPolarHBondContact O-CG2 2.88Å; D131-V135 PolarHBondContact O-N 3.11Å; V132-V135 PolarHBondContact O-N 3.41Å; A133-V135 PolarHBondContact O-N 3.17Å; V135-S137 PolarHBondContact O-N 3.46Å; V135-N138 WeakPolarHBondContact O-CB 3.33Å; V135-N138 PolarHBondContact O-N 3.4Å; V135-M139 WeakPolarHBondContact O-CG 3.4Å; V135-M139 PolarHBondContact O-N 2.92Å; V135-M139 VanDerWaalsContact O-N 3.15Å |
| 136 | L | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 177.7 | -67.6 | 176.6 | 0 | 0 | 0 | 111.6 | V45 L47 A85 V132 A133 N138 M139 K140 P141 L144 F163 F169 | V45-L136 HydrophobicContact CG1-CD2 4.15Å; L47-L136 HydrophobicContact CD1-CD1 4.29Å; L47-L136 HydrophobicContact CD2-CD1 4.14Å; A85-L136 HydrophobicContact CB-CD2 4.23Å; V132-L136 HydrophobicContact CG2-CD1 3.91Å; V132-L136 HydrophobicContact CG2-CG 4.39Å; V132-L136 WeakPolarHBondContact O-CB 3.3Å; V132-L136 VanDerWaalsContact O-CG 3.28Å; V132-L136 WeakPolarHBondContact O-CG 3.42Å; V132-L136 PolarHBondContact O-N 3Å; A133-L136 PolarHBondContact O-N 3.04Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 3.36Å; L136-M139 HydrophobicContact CD2-SD 3.97Å; L136-M139 WeakPolarHBondContact O-CB 3.4Å; L136-M139 PolarHBondContact O-N 3.27Å; L136-K140 PolarHBondContact O-N 3.49Å; L136-P141 WeakPolarHBondContact O-CD 3.34Å; L136-L144 HydrophobicContact CD1-CD1 4.24Å; L136-L144 HydrophobicContact CD1-CD2 4.39Å; L136-L144 HydrophobicContact CD2-CD2 4.48Å; L136-F163 HydrophobicContact CD1-CE1 3.77Å; L136-F163 HydrophobicContact CD1-CZ 3.74Å; L136-F169 HydrophobicContact CB-CE1 3.72Å; L136-F169 HydrophobicContact CB-CZ 3.73Å |
| 137 | S | 98.1 | Very high | 98.4 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 174.7 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | A133 Q134 V135 M139 K140 F169 | A133-S137 WeakPolarHBondContact O-CB 3.39Å; A133-S137 PolarHBondContact O-N 2.86Å; A133-S137 PolarHBondContact O-OG 3.49Å; A133-S137 VanDerWaalsContact O-OG 3.04Å; Q134-S137 PolarHBondContact O-N 3.42Å; V135-S137 PolarHBondContact O-N 3.46Å; S137-M139 VanDerWaalsContact C-N 3.31Å; S137-M139 PolarHBondContact O-N 3.44Å; S137-K140 WeakPolarHBondContact O-CG 3.4Å; S137-K140 PolarHBondContact O-N 3.13Å; S137-K140 VanDerWaalsContact O-N 3.12Å; S137-F169 VanDerWaalsContact OG-CZ 3.3Å; S137-F169 WeakPolarHBondContact OG-CZ 3.48Å |
| 138 | N | 98 | Very high | 98.4 | Very high | 107 Ų | 107 | 47.2 Ų | 47.2 | 57% | 0.572 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.7 | -30.5 | 177.6 | -72.2 | -19.9 | 0 | 0 | 0 | 112.9 | Q134 V135 L136 K140 | Q134-N138 PolarHBondContact NE2-ND2 3.09Å; Q134-N138 PolarHBondContact NE2-OD1 3.48Å; Q134-N138 WeakPolarHBondContact O-CB 3.49Å; Q134-N138 PolarHBondContact O-N 3.42Å; Q134-N138 PolarHBondContact O-ND2 2.91Å; V135-N138 WeakPolarHBondContact O-CB 3.33Å; V135-N138 PolarHBondContact O-N 3.4Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 3.36Å; N138-K140 PolarHBondContact O-N 3.14Å |
| 139 | M | 97.9 | Very high | 98.3 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.7 | -23.4 | 172.9 | -65.8 | 173.4 | 69.5 | 0 | 0 | 112.6 | V45 D87 I94 V135 L136 S137 | V45-M139 HydrophobicContact CG1-CE 4.31Å; V45-M139 HydrophobicContact CG2-CE 3.69Å; D87-M139 HydrophobicContact CB-CE 4.2Å; I94-M139 HydrophobicContact CD1-CE 4.09Å; I94-M139 HydrophobicContact CD1-SD 3.59Å; I94-M139 VanDerWaalsContact CD1-SD 3.59Å; V135-M139 WeakPolarHBondContact O-CG 3.4Å; V135-M139 PolarHBondContact O-N 2.92Å; V135-M139 VanDerWaalsContact O-N 3.15Å; L136-M139 HydrophobicContact CD2-SD 3.97Å; L136-M139 WeakPolarHBondContact O-CB 3.4Å; L136-M139 PolarHBondContact O-N 3.27Å; S137-M139 VanDerWaalsContact C-N 3.31Å; S137-M139 PolarHBondContact O-N 3.44Å |
| 140 | K | 97.7 | Very high | 98.3 | Very high | 162 Ų | 162 | 48.9 Ų | 48.9 | 70% | 0.704 | 26% | 0.258 | S | S | * | . | trans | 51.8 | 54.5 | -175.8 | -56.5 | 176.7 | -176.6 | 179.9 | 0 | 112 | L136 S137 N138 | L136-K140 PolarHBondContact O-N 3.49Å; S137-K140 WeakPolarHBondContact O-CG 3.4Å; S137-K140 PolarHBondContact O-N 3.13Å; S137-K140 VanDerWaalsContact O-N 3.12Å; N138-K140 PolarHBondContact O-N 3.14Å | ||
| 141 | P | 98.1 | Very high | 98.4 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | trans | -63.5 | 148 | 178.8 | 30.2 | -36.4 | 0 | 0 | 0 | 109.9 | K43 V45 L136 L144 F169 | K43-P141 WeakPolarHBondContact O-CA 3.19Å; V45-P141 HydrophobicContact CB-CB 4.28Å; V45-P141 HydrophobicContact CG2-CB 3.79Å; L136-P141 WeakPolarHBondContact O-CD 3.34Å; P141-L144 HydrophobicContact CB-CD2 4.17Å; P141-L144 HydrophobicContact CG-CD2 3.85Å; P141-F169 HydrophobicContact CG-CD1 3.96Å; P141-F169 HydrophobicContact CG-CE1 4.08Å | ||
| 142 | S | 98.2 | Very high | 98.4 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -71.7 | -39.8 | 169.8 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | L41 P42 K43 Q170 | L41-S142 WeakPolarHBondContact CB-OG 3.49Å; P42-S142 WeakPolarHBondContact O-CB 3.48Å; P42-S142 PolarHBondContact O-OG 3.07Å; K43-S142 PolarHBondContact O-N 3.23Å; K43-S142 PolarHBondContact O-OG 3.31Å; S142-Q170 PolarHBondContact O-OE1 3.11Å |
| 143 | V | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 143.6 | -179.5 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | L41 S44 V45 L145 Q170 N172 | L41-V143 HydrophobicContact CB-CG1 4.1Å; L41-V143 HydrophobicContact CD1-CB 4.25Å; L41-V143 HydrophobicContact CD1-CG1 4.07Å; L41-V143 HydrophobicContact CG-CG1 4.43Å; S44-V143 WeakPolarHBondContact CA-O 3.26Å; S44-V143 WeakPolarHBondContact OG-CG1 3.47Å; V45-V143 PolarHBondContact N-O 2.9Å; V143-L145 HydrophobicContact CG1-CD2 3.97Å; V143-L145 HydrophobicContact CG2-CD2 4.31Å; V143-Q170 CarbonylContact C-O 3.54Å; V143-Q170 WeakPolarHBondContact CA-O 3.39Å; V143-Q170 HydrophobicContact CB-CG 4.43Å; V143-Q170 HydrophobicContact CG2-CG 4.11Å; V143-N172 HydrophobicContact CG2-CB 3.76Å |
| 144 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.5 | 166.1 | -58.4 | -176.9 | 0 | 0 | 0 | 109 | V45 L47 L136 P141 F163 I166 F169 Q170 V171 N172 | V45-L144 HydrophobicContact CB-CD2 4.06Å; V45-L144 HydrophobicContact CG1-CD2 4.39Å; V45-L144 CarbonylContact O-C 3.57Å; V45-L144 WeakPolarHBondContact O-CA 3.32Å; L47-L144 HydrophobicContact CD2-CD1 4.26Å; L136-L144 HydrophobicContact CD1-CD1 4.24Å; L136-L144 HydrophobicContact CD1-CD2 4.39Å; L136-L144 HydrophobicContact CD2-CD2 4.48Å; P141-L144 HydrophobicContact CB-CD2 4.17Å; P141-L144 HydrophobicContact CG-CD2 3.85Å; L144-F163 HydrophobicContact CD1-CE1 4.26Å; L144-F163 HydrophobicContact CD1-CZ 4.33Å; L144-I166 HydrophobicContact CD1-CG1 4.28Å; L144-F169 HydrophobicContact CD1-CB 3.67Å; L144-F169 HydrophobicContact CD1-CD1 3.87Å; L144-F169 HydrophobicContact CD1-CD2 4.28Å; L144-F169 HydrophobicContact CD1-CG 3.68Å; L144-F169 HydrophobicContact CD2-CD1 4.4Å; L144-F169 HydrophobicContact CG-CB 4.03Å; L144-F169 HydrophobicContact CG-CD1 4.12Å; L144-F169 HydrophobicContact CG-CG 4.26Å; L144-Q170 PolarHBondContact N-O 3.5Å; L144-V171 HydrophobicContact CB-CG2 4.39Å; L144-V171 WeakPolarHBondContact O-CA 3.46Å; L144-N172 PolarHBondContact O-N 3.31Å |
| 145 | L | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 110.6 | 173.8 | -53.8 | -177.5 | 0 | 0 | 0 | 108.6 | L34 L40 V45 V46 L47 V88 V143 N172 L175 L176 | L34-L145 HydrophobicContact CD1-CD1 4.16Å; L34-L145 HydrophobicContact CD2-CD1 4.05Å; L40-L145 HydrophobicContact CD1-CD1 3.85Å; V45-L145 PolarHBondContact O-N 3.18Å; V46-L145 WeakPolarHBondContact CA-O 3.48Å; V46-L145 HydrophobicContact CG2-CB 4.34Å; V46-L145 HydrophobicContact CG2-CD1 4.37Å; L47-L145 PolarHBondContact N-O 3.02Å; V88-L145 HydrophobicContact CG2-CD1 4.23Å; V143-L145 HydrophobicContact CG1-CD2 3.97Å; V143-L145 HydrophobicContact CG2-CD2 4.31Å; L145-N172 WeakPolarHBondContact CA-O 3.4Å; L145-N172 HydrophobicContact CD2-CB 3.94Å; L145-L175 HydrophobicContact CD1-CD2 4.22Å; L145-L175 HydrophobicContact CD2-CD2 4.17Å; L145-L176 HydrophobicContact CB-CB 4.35Å |
| 146 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 156.8 | -177.5 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | L47 R148 E160 A161 V171 N172 N173 | L47-T146 HydrophobicContact CB-CG2 4.49Å; T146-R148 PolarHBondContact O-N 3.4Å; T146-E160 VanDerWaalsContact CB-CG 3.46Å; T146-E160 WeakPolarHBondContact CB-OE1 3.43Å; T146-E160 HydrophobicContact CG2-CG 4.25Å; T146-E160 VanDerWaalsContact OG1-CD 3.26Å; T146-E160 WeakPolarHBondContact OG1-CG 3.4Å; T146-E160 PolarHBondContact OG1-OE1 2.96Å; T146-A161 HydrophobicContact CG2-CB 4.43Å; T146-V171 HydrophobicContact CG2-CG1 3.78Å; T146-V171 VanDerWaalsContact OG1-CG1 3.3Å; T146-V171 WeakPolarHBondContact OG1-CG1 3.49Å; T146-N172 PolarHBondContact N-O 2.91Å; T146-N173 WeakPolarHBondContact O-CA 3.3Å; T146-N173 VanDerWaalsContact OG1-CB 3.3Å; T146-N173 WeakPolarHBondContact OG1-CB 3.46Å |
| 147 | L | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | trans | -88.4 | 110.2 | -175.3 | -176.8 | 70 | 0 | 0 | 0 | 111.1 | L48 F70 C158 E160 L176 H177 I180 | L48-L147 HydrophobicContact CD2-CB 3.82Å; L48-L147 HydrophobicContact CD2-CD2 4.34Å; F70-L147 HydrophobicContact CB-CD2 3.69Å; F70-L147 HydrophobicContact CD1-CD2 4.48Å; F70-L147 HydrophobicContact CD2-CD2 3.47Å; F70-L147 VanDerWaalsContact CD2-CD2 3.47Å; F70-L147 HydrophobicContact CE2-CD2 4.15Å; F70-L147 HydrophobicContact CG-CD2 3.64Å; L147-C158 HydrophobicContact CD2-CB 4.31Å; L147-C158 HydrophobicContact CG-CB 4.16Å; L147-E160 VanDerWaalsContact O-CA 3.3Å; L147-E160 WeakPolarHBondContact O-CA 3.46Å; L147-L176 HydrophobicContact CB-CD2 4.09Å; L147-L176 HydrophobicContact CD1-CD2 4.47Å; L147-L176 HydrophobicContact CD1-CG 4.37Å; L147-H177 HydrophobicContact CD1-CB 4.01Å; L147-I180 HydrophobicContact CD1-CG2 3.78Å | ||
| 148 | R | 98.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 50.8 Ų | 50.8 | 46% | 0.464 | 28% | 0.284 | S | S | . | . | trans | -143.5 | 127.2 | 169.3 | -167.7 | -178.4 | -178 | -78.3 | -3.8 | 110.7 | T146 T157 E160 N173 H177 | T146-R148 PolarHBondContact O-N 3.4Å; R148-T157 HydrophobicContact CG-CG2 3.82Å; R148-E160 HydrophobicContact CB-CB 4.49Å; R148-N173 HydrophobicContact CB-CB 3.83Å; R148-N173 WeakPolarHBondContact CB-O 3.49Å; R148-N173 VanDerWaalsContact CD-ND2 3.33Å; R148-N173 WeakPolarHBondContact CD-ND2 3.25Å; R148-N173 VanDerWaalsContact O-O 3.1Å; R148-H177 VanDerWaalsContact O-CB 3.3Å; R148-H177 WeakPolarHBondContact O-CB 3.24Å | ||
| 149 | G | 97.9 | Very high | 98.3 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | trans | -179.1 | 161 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | T157 C158 | G149-T157 CarbonylContact O-C 3.54Å; G149-T157 WeakPolarHBondContact O-CA 3.49Å; G149-C158 PolarHBondContact O-N 3.43Å; G149-C158 PolarHBondContact O-SG 2.96Å | ||
| 150 | Q | 97.9 | Very high | 98.3 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | B | Isolated β-bridge | trans | -87.5 | 128 | -177.9 | -169.3 | 172.3 | 44.6 | 0 | 0 | 110.2 | G155 S156 | Q150-G155 WeakPolarHBondContact CG-O 3.49Å; Q150-G155 PolarHBondContact NE2-O 3.31Å; Q150-S156 WeakPolarHBondContact CA-O 3.31Å |
| 151 | N | 98.6 | Very high | 98.3 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | trans | -74.1 | 128.1 | 166 | 172.7 | -75 | 0 | 0 | 0 | 108.8 | D153 S154 G155 S156 | N151-D153 VanDerWaalsContact C-N 3.29Å; N151-D153 PolarHBondContact O-N 3.37Å; N151-D153 PolarHBondContact OD1-N 2.87Å; N151-D153 VanDerWaalsContact OD1-N 3.09Å; N151-S154 WeakPolarHBondContact CB-OG 3.31Å; N151-S154 PolarHBondContact OD1-N 3.47Å; N151-S154 PolarHBondContact OD1-OG 2.7Å; N151-G155 VanDerWaalsContact O-CA 3.26Å; N151-G155 WeakPolarHBondContact O-CA 3.41Å; N151-G155 PolarHBondContact O-N 3.34Å; N151-S156 PolarHBondContact N-O 3.26Å | ||
| 152 | T | 98.3 | Very high | 98.3 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -7.4 | -167.9 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | R388 | T152-R388 PolarHBondContact O-NH2 3.32Š|
| 153 | D | 98 | Very high | 98.3 | Very high | 41 Ų | 41 | 46.3 Ų | 46.3 | 22% | 0.219 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -45.2 | 178.1 | -67.4 | -68.7 | 0 | 0 | 0 | 111.9 | N151 R398 | N151-D153 VanDerWaalsContact C-N 3.29Å; N151-D153 PolarHBondContact O-N 3.37Å; N151-D153 PolarHBondContact OD1-N 2.87Å; N151-D153 VanDerWaalsContact OD1-N 3.09Å; D153-R398 WeakPolarHBondContact OD1-CB 3.29Å; D153-R398 VanDerWaalsContact OD1-CD 3.29Å; D153-R398 WeakPolarHBondContact OD1-CD 3.41Å; D153-R398 VanDerWaalsContact OD1-CG 3.27Å; D153-R398 WeakPolarHBondContact OD1-CG 3.36Å; D153-R398 IonicContact OD1-CZ 3.54Å; D153-R398 IonicContact OD1-NE 2.69Å; D153-R398 IonicContact OD1-NH1 2.67Å; D153-R398 PolarHBondContact OD1-NH1 3.25Å |
| 154 | S | 98.2 | Very high | 98.3 | Very high | 74 Ų | 74 | 55.1 Ų | 55.1 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -22.9 | 178.4 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | N151 S156 | N151-S154 WeakPolarHBondContact CB-OG 3.31Å; N151-S154 PolarHBondContact OD1-N 3.47Å; N151-S154 PolarHBondContact OD1-OG 2.7Å; S154-S156 PolarHBondContact O-N 2.85Å; S154-S156 WeakPolarHBondContact OG-CB 3.48Å; S154-S156 PolarHBondContact OG-N 2.85Å |
| 155 | G | 97.8 | Very high | 98.2 | Very high | 38 Ų | 38 | 56.7 Ų | 56.7 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | trans | 70.5 | -1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q150 N151 | Q150-G155 WeakPolarHBondContact CG-O 3.49Å; Q150-G155 PolarHBondContact NE2-O 3.31Å; N151-G155 VanDerWaalsContact O-CA 3.26Å; N151-G155 WeakPolarHBondContact O-CA 3.41Å; N151-G155 PolarHBondContact O-N 3.34Å | ||
| 156 | S | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 146.5 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | Q150 N151 S154 | Q150-S156 WeakPolarHBondContact CA-O 3.31Å; N151-S156 PolarHBondContact N-O 3.26Å; S154-S156 PolarHBondContact O-N 2.85Å; S154-S156 WeakPolarHBondContact OG-CB 3.48Å; S154-S156 PolarHBondContact OG-N 2.85Å |
| 157 | T | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 63.4 Ų | 63.4 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -91.1 | 129.5 | 172.5 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | R148 G149 R159 | R148-T157 HydrophobicContact CG-CG2 3.82Å; G149-T157 CarbonylContact O-C 3.54Å; G149-T157 WeakPolarHBondContact O-CA 3.49Å; T157-R159 PolarHBondContact O-N 2.85Å |
| 158 | C | 98.1 | Very high | 98 | Very high | 26 Ų | 26 | 67.4 Ų | 67.4 | 18% | 0.176 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 134.5 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | L147 G149 E160 | L147-C158 HydrophobicContact CD2-CB 4.31Å; L147-C158 HydrophobicContact CG-CB 4.16Å; G149-C158 PolarHBondContact O-N 3.43Å; G149-C158 PolarHBondContact O-SG 2.96Å; C158-E160 PolarHBondContact O-N 3.31Å |
| 159 | R | 97.9 | Very high | 98 | Very high | 139 Ų | 139 | 62.9 Ų | 62.9 | 53% | 0.525 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 119.6 | 179.3 | -175.9 | 179.9 | 73.9 | 175 | 6.5 | 109.8 | G50 E52 T157 | G50-R159 PolarHBondContact O-NH2 3.24Å; E52-R159 IonicContact OE2-CZ 2.65Å; E52-R159 IonicContact OE2-NH1 3.31Å; E52-R159 PolarHBondContact OE2-NH1 3.27Å; E52-R159 IonicContact OE2-NH2 2.67Å; E52-R159 PolarHBondContact OE2-NH2 2.93Å; T157-R159 PolarHBondContact O-N 2.85Å |
| 160 | E | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 25% | 0.252 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 137.7 | 176.1 | -162.7 | 179.2 | 162 | 0 | 0 | 110.9 | T146 L147 R148 C158 S162 V171 N173 | T146-E160 VanDerWaalsContact CB-CG 3.46Å; T146-E160 WeakPolarHBondContact CB-OE1 3.43Å; T146-E160 HydrophobicContact CG2-CG 4.25Å; T146-E160 VanDerWaalsContact OG1-CD 3.26Å; T146-E160 WeakPolarHBondContact OG1-CG 3.4Å; T146-E160 PolarHBondContact OG1-OE1 2.96Å; L147-E160 VanDerWaalsContact O-CA 3.3Å; L147-E160 WeakPolarHBondContact O-CA 3.46Å; R148-E160 HydrophobicContact CB-CB 4.49Å; C158-E160 PolarHBondContact O-N 3.31Å; E160-S162 PolarHBondContact O-N 3.13Å; E160-V171 WeakPolarHBondContact OE1-CG1 3.37Å; E160-N173 VanDerWaalsContact CD-CB 3.48Å; E160-N173 HydrophobicContact CG-CB 4.32Å; E160-N173 WeakPolarHBondContact OE1-CB 3.48Å; E160-N173 WeakPolarHBondContact OE2-CB 3.49Å; E160-N173 PolarHBondContact OE2-ND2 3.29Å |
| 161 | A | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 134.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L47 Q49 T146 I166 | L47-A161 HydrophobicContact CD2-CB 4.32Å; L47-A161 HydrophobicContact CG-CB 4.11Å; Q49-A161 HydrophobicContact CB-CB 3.7Å; T146-A161 HydrophobicContact CG2-CB 4.43Å; A161-I166 WeakPolarHBondContact O-CD1 3.12Å |
| 162 | S | 97.9 | Very high | 98.1 | Very high | 70 Ų | 70 | 66 Ų | 66 | 49% | 0.49 | 39% | 0.387 | S | S | . | . | trans | -142.2 | 145.8 | 178 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | Q49 F83 E160 | Q49-S162 VanDerWaalsContact OE1-N 3.1Å; Q49-S162 PolarHBondContact OE1-O 3.04Å; F83-S162 WeakPolarHBondContact CE1-O 3.41Å; F83-S162 VanDerWaalsContact CZ-O 3.32Å; F83-S162 WeakPolarHBondContact CZ-O 3.03Å; E160-S162 PolarHBondContact O-N 3.13Å | ||
| 163 | F | 98.1 | Very high | 98.1 | Very high | 20 Ų | 20 | 66 Ų | 66 | 9% | 0.088 | 39% | 0.386 | C | S | . | . | trans | -150.4 | 160.5 | 175.1 | 63.2 | -91.9 | 0 | 0 | 0 | 110.1 | L47 F83 V132 A133 L136 L144 G165 I166 F169 | L47-F163 HydrophobicContact CD2-CD1 3.81Å; L47-F163 HydrophobicContact CD2-CE1 3.46Å; L47-F163 VanDerWaalsContact CD2-CE1 3.46Å; F83-F163 HydrophobicContact CE1-CB 4.47Å; F83-F163 HydrophobicContact CZ-CB 4.37Å; V132-F163 HydrophobicContact CG1-CB 3.72Å; V132-F163 HydrophobicContact CG1-CD1 4.28Å; V132-F163 HydrophobicContact CG1-CD2 3.61Å; V132-F163 HydrophobicContact CG1-CE2 4.32Å; V132-F163 HydrophobicContact CG1-CG 3.6Å; V132-F163 HydrophobicContact CG2-CD1 4.4Å; A133-F163 HydrophobicContact CB-CD2 3.99Å; A133-F163 HydrophobicContact CB-CE2 3.64Å; L136-F163 HydrophobicContact CD1-CE1 3.77Å; L136-F163 HydrophobicContact CD1-CZ 3.74Å; L144-F163 HydrophobicContact CD1-CE1 4.26Å; L144-F163 HydrophobicContact CD1-CZ 4.33Å; F163-G165 PolarHBondContact O-N 3.06Å; F163-I166 HydrophobicContact CD1-CB 3.95Å; F163-I166 HydrophobicContact CD1-CD1 3.91Å; F163-I166 HydrophobicContact CD1-CG1 4.09Å; F163-I166 HydrophobicContact CD2-CB 4.22Å; F163-I166 HydrophobicContact CE1-CB 3.71Å; F163-I166 HydrophobicContact CE1-CD1 3.68Å; F163-I166 HydrophobicContact CE1-CG1 3.55Å; F163-I166 HydrophobicContact CE2-CB 4Å; F163-I166 HydrophobicContact CG-CB 4.19Å; F163-I166 HydrophobicContact CZ-CB 3.75Å; F163-I166 HydrophobicContact CZ-CD1 4.47Å; F163-I166 HydrophobicContact CZ-CG1 3.84Å; F163-I166 WeakPolarHBondContact O-CB 3.37Å; F163-I166 VanDerWaalsContact O-CG2 3.3Å; F163-I166 WeakPolarHBondContact O-CG2 3.47Å; F163-I166 PolarHBondContact O-N 3.05Å; F163-F169 HydrophobicContact CE2-CE2 4.02Å; F163-F169 HydrophobicContact CZ-CD2 4.06Å; F163-F169 AromaticContact CZ-CE2 3.83Å; F163-F169 HydrophobicContact CZ-CE2 3.83Å; F163-F169 HydrophobicContact CZ-CZ 4.46Å | ||
| 164 | E | 97.6 | Very high | 98 | Very high | 191 Ų | 191 | 68.6 Ų | 68.6 | 89% | 0.893 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 120.3 | 177.4 | -172.3 | 179.1 | 175.3 | 0 | 0 | 111 | ||
| 165 | G | 97.3 | Very high | 98 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -1.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F163 S167 S168 | F163-G165 PolarHBondContact O-N 3.06Å; G165-S167 PolarHBondContact O-N 2.97Å; G165-S167 VanDerWaalsContact O-N 3.07Å; G165-S168 PolarHBondContact O-N 3.35Å; G165-S168 VanDerWaalsContact O-N 3.07Å; G165-S168 PolarHBondContact O-OG 3.21Å |
| 166 | I | 98.1 | Very high | 98 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -57.4 | -26.9 | 177.5 | -164.7 | 170 | 0 | 0 | 0 | 113.2 | L47 L144 A161 F163 S168 F169 V171 | L47-I166 HydrophobicContact CD2-CD1 4.38Å; L144-I166 HydrophobicContact CD1-CG1 4.28Å; A161-I166 WeakPolarHBondContact O-CD1 3.12Å; F163-I166 HydrophobicContact CD1-CB 3.95Å; F163-I166 HydrophobicContact CD1-CD1 3.91Å; F163-I166 HydrophobicContact CD1-CG1 4.09Å; F163-I166 HydrophobicContact CD2-CB 4.22Å; F163-I166 HydrophobicContact CE1-CB 3.71Å; F163-I166 HydrophobicContact CE1-CD1 3.68Å; F163-I166 HydrophobicContact CE1-CG1 3.55Å; F163-I166 HydrophobicContact CE2-CB 4Å; F163-I166 HydrophobicContact CG-CB 4.19Å; F163-I166 HydrophobicContact CZ-CB 3.75Å; F163-I166 HydrophobicContact CZ-CD1 4.47Å; F163-I166 HydrophobicContact CZ-CG1 3.84Å; F163-I166 WeakPolarHBondContact O-CB 3.37Å; F163-I166 VanDerWaalsContact O-CG2 3.3Å; F163-I166 WeakPolarHBondContact O-CG2 3.47Å; F163-I166 PolarHBondContact O-N 3.05Å; I166-S168 PolarHBondContact O-N 2.95Å; I166-S168 VanDerWaalsContact O-N 3.16Å; I166-F169 WeakPolarHBondContact O-CB 3.33Å; I166-F169 PolarHBondContact O-N 3.33Å; I166-V171 HydrophobicContact CD1-CG2 4.42Å; I166-V171 HydrophobicContact CG1-CG2 4.12Å |
| 167 | S | 97.6 | Very high | 98.1 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -64.3 | -15.5 | 178 | 58 | 0 | 0 | 0 | 0 | 114.6 | G165 | G165-S167 PolarHBondContact O-N 2.97Å; G165-S167 VanDerWaalsContact O-N 3.07Å |
| 168 | S | 97.7 | Very high | 98 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -80.8 | -3.9 | 172 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | G165 I166 | G165-S168 PolarHBondContact O-N 3.35Å; G165-S168 VanDerWaalsContact O-N 3.07Å; G165-S168 PolarHBondContact O-OG 3.21Å; I166-S168 PolarHBondContact O-N 2.95Å; I166-S168 VanDerWaalsContact O-N 3.16Å |
| 169 | F | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -105.5 | 149.9 | 179.4 | -62.6 | -98.7 | 0 | 0 | 0 | 110.8 | L136 S137 P141 L144 F163 I166 | L136-F169 HydrophobicContact CB-CE1 3.72Å; L136-F169 HydrophobicContact CB-CZ 3.73Å; S137-F169 VanDerWaalsContact OG-CZ 3.3Å; S137-F169 WeakPolarHBondContact OG-CZ 3.48Å; P141-F169 HydrophobicContact CG-CD1 3.96Å; P141-F169 HydrophobicContact CG-CE1 4.08Å; L144-F169 HydrophobicContact CD1-CB 3.67Å; L144-F169 HydrophobicContact CD1-CD1 3.87Å; L144-F169 HydrophobicContact CD1-CD2 4.28Å; L144-F169 HydrophobicContact CD1-CG 3.68Å; L144-F169 HydrophobicContact CD2-CD1 4.4Å; L144-F169 HydrophobicContact CG-CB 4.03Å; L144-F169 HydrophobicContact CG-CD1 4.12Å; L144-F169 HydrophobicContact CG-CG 4.26Å; F163-F169 HydrophobicContact CE2-CE2 4.02Å; F163-F169 HydrophobicContact CZ-CD2 4.06Å; F163-F169 AromaticContact CZ-CE2 3.83Å; F163-F169 HydrophobicContact CZ-CE2 3.83Å; F163-F169 HydrophobicContact CZ-CZ 4.46Å; I166-F169 WeakPolarHBondContact O-CB 3.33Å; I166-F169 PolarHBondContact O-N 3.33Å |
| 170 | Q | 98.4 | Very high | 98.1 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 59% | 0.593 | 32% | 0.316 | S | S | * | . | trans | -72.9 | 129.3 | 162.3 | -173.5 | 175.1 | -2.1 | 0 | 0 | 108.4 | S142 V143 L144 | S142-Q170 PolarHBondContact O-OE1 3.11Å; V143-Q170 CarbonylContact C-O 3.54Å; V143-Q170 WeakPolarHBondContact CA-O 3.39Å; V143-Q170 HydrophobicContact CB-CG 4.43Å; V143-Q170 HydrophobicContact CG2-CG 4.11Å; L144-Q170 PolarHBondContact N-O 3.5Å | ||
| 171 | V | 98.6 | Very high | 98.2 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.9 | -179.1 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L144 T146 E160 I166 | L144-V171 HydrophobicContact CB-CG2 4.39Å; L144-V171 WeakPolarHBondContact O-CA 3.46Å; T146-V171 HydrophobicContact CG2-CG1 3.78Å; T146-V171 VanDerWaalsContact OG1-CG1 3.3Å; T146-V171 WeakPolarHBondContact OG1-CG1 3.49Å; E160-V171 WeakPolarHBondContact OE1-CG1 3.37Å; I166-V171 HydrophobicContact CD1-CG2 4.42Å; I166-V171 HydrophobicContact CG1-CG2 4.12Å |
| 172 | N | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.2 | 168 | 178.5 | -60.4 | 0 | 0 | 0 | 108.7 | V143 L144 L145 T146 T174 L175 | V143-N172 HydrophobicContact CG2-CB 3.76Å; L144-N172 PolarHBondContact O-N 3.31Å; L145-N172 WeakPolarHBondContact CA-O 3.4Å; L145-N172 HydrophobicContact CD2-CB 3.94Å; T146-N172 PolarHBondContact N-O 2.91Å; N172-T174 PolarHBondContact OD1-N 3.36Å; N172-T174 PolarHBondContact OD1-OG1 2.95Å; N172-L175 WeakPolarHBondContact OD1-CB 3.37Å; N172-L175 PolarHBondContact OD1-N 2.76Å |
| 173 | N | 98.1 | Very high | 98.2 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | trans | -110.3 | 7.9 | -176.2 | 65.1 | 6.3 | 0 | 0 | 0 | 113.8 | T146 R148 E160 | T146-N173 WeakPolarHBondContact O-CA 3.3Å; T146-N173 VanDerWaalsContact OG1-CB 3.3Å; T146-N173 WeakPolarHBondContact OG1-CB 3.46Å; R148-N173 HydrophobicContact CB-CB 3.83Å; R148-N173 WeakPolarHBondContact CB-O 3.49Å; R148-N173 VanDerWaalsContact CD-ND2 3.33Å; R148-N173 WeakPolarHBondContact CD-ND2 3.25Å; R148-N173 VanDerWaalsContact O-O 3.1Å; E160-N173 VanDerWaalsContact CD-CB 3.48Å; E160-N173 HydrophobicContact CG-CB 4.32Å; E160-N173 WeakPolarHBondContact OE1-CB 3.48Å; E160-N173 WeakPolarHBondContact OE2-CB 3.49Å; E160-N173 PolarHBondContact OE2-ND2 3.29Å | ||
| 174 | T | 97.2 | Very high | 98.2 | Very high | 94 Ų | 94 | 52 Ų | 52 | 58% | 0.577 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -106.8 | -29.4 | -176.2 | 56.4 | 0 | 0 | 0 | 0 | 113 | N172 P178 | N172-T174 PolarHBondContact OD1-N 3.36Å; N172-T174 PolarHBondContact OD1-OG1 2.95Å; T174-P178 WeakPolarHBondContact O-CD 3.35Å |
| 175 | L | 97.1 | Very high | 98.3 | Very high | 33 Ų | 33 | 43 Ų | 43 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -74.6 | -38.4 | -173.8 | -171.2 | 66.1 | 0 | 0 | 0 | 112.7 | L34 K37 L40 L145 N172 V179 | L34-L175 HydrophobicContact CD2-CD2 4.48Å; L34-L175 HydrophobicContact CD2-CG 4.3Å; K37-L175 HydrophobicContact CB-CD1 3.99Å; K37-L175 HydrophobicContact CG-CD1 4.16Å; L40-L175 HydrophobicContact CD1-CD2 3.75Å; L145-L175 HydrophobicContact CD1-CD2 4.22Å; L145-L175 HydrophobicContact CD2-CD2 4.17Å; N172-L175 WeakPolarHBondContact OD1-CB 3.37Å; N172-L175 PolarHBondContact OD1-N 2.76Å; L175-V179 WeakPolarHBondContact O-CG2 3.41Å |
| 176 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.5 | -50.8 | -170.4 | 178.5 | 58.7 | 0 | 0 | 0 | 112.9 | L30 L34 V46 L48 L145 L147 V179 I180 | L30-L176 HydrophobicContact CD1-CD1 3.94Å; L30-L176 HydrophobicContact CD2-CD1 4.23Å; L34-L176 HydrophobicContact CD1-CD1 4.3Å; V46-L176 HydrophobicContact CG1-CD1 4.1Å; V46-L176 HydrophobicContact CG1-CD2 3.79Å; V46-L176 HydrophobicContact CG2-CD1 4.01Å; L48-L176 HydrophobicContact CD2-CD2 3.86Å; L145-L176 HydrophobicContact CB-CB 4.35Å; L147-L176 HydrophobicContact CB-CD2 4.09Å; L147-L176 HydrophobicContact CD1-CD2 4.47Å; L147-L176 HydrophobicContact CD1-CG 4.37Å; L176-V179 PolarHBondContact O-N 2.77Å; L176-I180 HydrophobicContact CD1-CB 4.3Å; L176-I180 HydrophobicContact CD1-CG2 4.49Å; L176-I180 HydrophobicContact CG-CG2 4.38Å; L176-I180 WeakPolarHBondContact O-CG2 3.31Å; L176-I180 PolarHBondContact O-N 3.43Å |
| 177 | H | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51.9 | -55.1 | -171.7 | 178.3 | -90 | 0 | 0 | 0 | 114 | L147 R148 V179 I180 V181 | L147-H177 HydrophobicContact CD1-CB 4.01Å; R148-H177 VanDerWaalsContact O-CB 3.3Å; R148-H177 WeakPolarHBondContact O-CB 3.24Å; H177-V179 PolarHBondContact O-N 2.94Å; H177-I180 WeakPolarHBondContact O-CG2 3.42Å; H177-I180 PolarHBondContact O-N 3.08Å; H177-V181 VanDerWaalsContact O-CB 3.32Å; H177-V181 WeakPolarHBondContact O-CB 3.43Å; H177-V181 WeakPolarHBondContact O-CG2 3.39Å; H177-V181 PolarHBondContact O-N 3.5Å |
| 178 | P | 98.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 36.1 Ų | 36.1 | 41% | 0.409 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -31.1 | -179.8 | 24.7 | -34.1 | 0 | 0 | 0 | 112.7 | T174 E182 | T174-P178 WeakPolarHBondContact O-CD 3.35Å; P178-E182 WeakPolarHBondContact O-CG 3.44Å; P178-E182 PolarHBondContact O-N 2.99Å |
| 179 | V | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.7 | -47.6 | -179.2 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | L30 L34 K37 L175 L176 H177 V181 E182 C183 | L30-V179 HydrophobicContact CD1-CB 4.49Å; L30-V179 HydrophobicContact CD1-CG1 3.96Å; L34-V179 HydrophobicContact CD2-CB 4.05Å; L34-V179 HydrophobicContact CD2-CG1 4.12Å; L34-V179 HydrophobicContact CD2-CG2 4.02Å; L34-V179 HydrophobicContact CG-CB 4.48Å; L34-V179 HydrophobicContact CG-CG1 4.02Å; K37-V179 HydrophobicContact CD-CG2 4.19Å; K37-V179 HydrophobicContact CG-CG2 3.77Å; L175-V179 WeakPolarHBondContact O-CG2 3.41Å; L176-V179 PolarHBondContact O-N 2.77Å; H177-V179 PolarHBondContact O-N 2.94Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 PolarHBondContact O-N 3.28Å; V179-E182 PolarHBondContact O-N 3.37Å; V179-C183 PolarHBondContact O-N 2.94Å; V179-C183 VanDerWaalsContact O-N 3.08Å; V179-C183 PolarHBondContact O-SG 3.46Å |
| 180 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.3 | -33 | -179.8 | -165.6 | 173.1 | 0 | 0 | 0 | 111.7 | L30 L48 F70 W73 L147 L176 H177 C183 R184 | L30-I180 HydrophobicContact CD1-CB 3.88Å; L30-I180 HydrophobicContact CD1-CG1 4.26Å; L30-I180 HydrophobicContact CD2-CD1 4.09Å; L30-I180 HydrophobicContact CD2-CG1 4.32Å; L48-I180 HydrophobicContact CD1-CD1 4.4Å; F70-I180 HydrophobicContact CB-CD1 4.24Å; F70-I180 HydrophobicContact CD1-CB 4.48Å; F70-I180 HydrophobicContact CD1-CD1 3.83Å; F70-I180 HydrophobicContact CD1-CG1 3.93Å; F70-I180 HydrophobicContact CD1-CG2 3.8Å; F70-I180 HydrophobicContact CE1-CG1 4.44Å; F70-I180 HydrophobicContact CE1-CG2 3.76Å; F70-I180 HydrophobicContact CG-CD1 4.48Å; W73-I180 HydrophobicContact CE3-CD1 3.92Å; W73-I180 HydrophobicContact CE3-CG1 3.81Å; W73-I180 HydrophobicContact CZ3-CD1 4.08Å; W73-I180 HydrophobicContact CZ3-CG1 3.73Å; L147-I180 HydrophobicContact CD1-CG2 3.78Å; L176-I180 HydrophobicContact CD1-CB 4.3Å; L176-I180 HydrophobicContact CD1-CG2 4.49Å; L176-I180 HydrophobicContact CG-CG2 4.38Å; L176-I180 WeakPolarHBondContact O-CG2 3.31Å; L176-I180 PolarHBondContact O-N 3.43Å; H177-I180 WeakPolarHBondContact O-CG2 3.42Å; H177-I180 PolarHBondContact O-N 3.08Å; I180-C183 PolarHBondContact O-N 2.93Å; I180-R184 PolarHBondContact O-N 3.47Å |
| 181 | V | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 32 Ų | 32 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 172.2 | 167 | 0 | 0 | 0 | 0 | 111.5 | F70 H177 V179 C183 R184 L185 V379 | F70-V181 HydrophobicContact CE1-CG2 3.81Å; F70-V181 HydrophobicContact CZ-CG2 3.7Å; H177-V181 VanDerWaalsContact O-CB 3.32Å; H177-V181 WeakPolarHBondContact O-CB 3.43Å; H177-V181 WeakPolarHBondContact O-CG2 3.39Å; H177-V181 PolarHBondContact O-N 3.5Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 PolarHBondContact O-N 3.28Å; V181-C183 VanDerWaalsContact C-N 3.28Å; V181-C183 PolarHBondContact O-N 2.84Å; V181-R184 PolarHBondContact O-N 3.09Å; V181-L185 PolarHBondContact O-N 2.84Å; V181-V379 HydrophobicContact CB-CG2 4.35Å; V181-V379 HydrophobicContact CG1-CB 4.2Å; V181-V379 HydrophobicContact CG1-CG2 4.07Å; V181-V379 HydrophobicContact CG2-CB 4.23Å; V181-V379 HydrophobicContact CG2-CG2 4.09Å |
| 182 | E | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 29.9 Ų | 29.9 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.6 | -31.4 | 175.8 | -71.1 | -61.1 | 138.6 | 0 | 0 | 112.7 | P178 V179 L185 R401 | P178-E182 WeakPolarHBondContact O-CG 3.44Å; P178-E182 PolarHBondContact O-N 2.99Å; V179-E182 PolarHBondContact O-N 3.37Å; E182-L185 WeakPolarHBondContact O-CB 3.47Å; E182-L185 PolarHBondContact O-N 3.17Å; E182-L185 WeakPolarHBondContact OE2-CD2 3.32Å; E182-R401 IonicContact OE1-CZ 3.69Å; E182-R401 IonicContact OE1-NH1 3.49Å; E182-R401 PolarHBondContact OE1-NH1 2.87Å; E182-R401 IonicContact OE1-NH2 2.68Å; E182-R401 PolarHBondContact OE1-NH2 3.48Å; E182-R401 IonicContact OE2-CZ 2.69Å; E182-R401 IonicContact OE2-NH1 3.86Å; E182-R401 IonicContact OE2-NH2 2.64Å; E182-R401 PolarHBondContact OE2-NH2 3.01Å |
| 183 | C | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 32 Ų | 32 | 9% | 0.088 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.9 | -40.8 | 173.8 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | R29 W73 V179 I180 V181 L185 | R29-C183 PolarHBondContact NH1-O 3.48Å; R29-C183 PolarHBondContact NH2-O 3.04Å; W73-C183 HydrophobicContact CH2-CB 3.45Å; W73-C183 VanDerWaalsContact CH2-CB 3.45Å; W73-C183 HydrophobicContact CZ2-CB 3.49Å; W73-C183 VanDerWaalsContact CZ2-CB 3.49Å; W73-C183 HydrophobicContact CZ3-CB 4.46Å; V179-C183 PolarHBondContact O-N 2.94Å; V179-C183 VanDerWaalsContact O-N 3.08Å; V179-C183 PolarHBondContact O-SG 3.46Å; I180-C183 PolarHBondContact O-N 2.93Å; V181-C183 VanDerWaalsContact C-N 3.28Å; V181-C183 PolarHBondContact O-N 2.84Å; C183-L185 VanDerWaalsContact C-N 3.31Å; C183-L185 PolarHBondContact O-N 2.86Å |
| 184 | R | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -28.7 | 175.5 | -77.4 | -178.7 | 60.7 | -175.2 | -0.3 | 113.5 | W73 I180 V181 C186 K187 D375 D378 V379 | W73-R184 HydrophobicContact CB-CG 4.37Å; W73-R184 HydrophobicContact CD2-CG 3.83Å; W73-R184 HydrophobicContact CG-CG 3.64Å; I180-R184 PolarHBondContact O-N 3.47Å; V181-R184 PolarHBondContact O-N 3.09Å; R184-C186 VanDerWaalsContact C-N 3.31Å; R184-C186 PolarHBondContact O-N 3.02Å; R184-K187 PolarHBondContact O-NZ 3.38Å; R184-D375 IonicContact CZ-OD2 3.95Å; R184-D375 IonicContact NH1-OD2 3.42Å; R184-D375 PolarHBondContact NH1-OD2 2.92Å; R184-D375 IonicContact NH2-OD2 3.58Å; R184-D375 PolarHBondContact NH2-OD2 3.45Å; R184-D378 IonicContact CZ-OD1 2.75Å; R184-D378 IonicContact NE-OD1 2.69Å; R184-D378 IonicContact NH2-OD1 3.6Å; R184-D378 PolarHBondContact NH2-OD1 3.16Å; R184-V379 HydrophobicContact CB-CG2 3.92Å |
| 185 | L | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.8 | -44.7 | 178.8 | -175.9 | 68.7 | 0 | 0 | 0 | 112 | V181 E182 C183 K187 L371 M407 | V181-L185 PolarHBondContact O-N 2.84Å; E182-L185 WeakPolarHBondContact O-CB 3.47Å; E182-L185 PolarHBondContact O-N 3.17Å; E182-L185 WeakPolarHBondContact OE2-CD2 3.32Å; C183-L185 VanDerWaalsContact C-N 3.31Å; C183-L185 PolarHBondContact O-N 2.86Å; L185-K187 PolarHBondContact O-NZ 3.34Å; L185-L371 HydrophobicContact CD1-CD1 3.37Å; L185-L371 HydrophobicContact CD1-CD2 3.61Å; L185-L371 HydrophobicContact CD1-CG 4.14Å; L185-M407 HydrophobicContact CD1-CE 3.89Å; L185-M407 HydrophobicContact CD1-CG 4.36Å; L185-M407 HydrophobicContact CD2-CE 3.62Å; L185-M407 HydrophobicContact CG-CE 3.86Å; L185-M407 HydrophobicContact CG-CG 4.26Å |
| 186 | C | 98.3 | Very high | 98.8 | Very high | 28 Ų | 28 | 27 Ų | 27 | 19% | 0.189 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -103.8 | 115.9 | -177.1 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | R29 R184 R406 | R29-C186 PolarHBondContact NH1-O 3.47Å; R29-C186 PolarHBondContact NH2-O 3.29Å; R184-C186 VanDerWaalsContact C-N 3.31Å; R184-C186 PolarHBondContact O-N 3.02Å; C186-R406 HydrophobicContact CB-CB 4.14Å |
| 187 | K | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | trans | -80.5 | 136.2 | -173.2 | -80 | 57.4 | 177.2 | 170.4 | 0 | 111.8 | R184 L185 E191 L192 L195 L372 D378 R406 V408 | R184-K187 PolarHBondContact O-NZ 3.38Å; L185-K187 PolarHBondContact O-NZ 3.34Å; K187-E191 WeakPolarHBondContact CA-OE2 3.39Å; K187-E191 HydrophobicContact CB-CB 4.04Å; K187-E191 HydrophobicContact CG-CB 4.16Å; K187-L192 HydrophobicContact CB-CD2 3.86Å; K187-L192 HydrophobicContact CB-CG 3.96Å; K187-L192 HydrophobicContact CG-CD2 4.46Å; K187-L195 HydrophobicContact CG-CD1 3.81Å; K187-L372 WeakPolarHBondContact CE-O 3.42Å; K187-L372 PolarHBondContact NZ-O 3.28Å; K187-D378 IonicContact NZ-OD2 3.26Å; K187-D378 PolarHBondContact NZ-OD2 2.57Å; K187-R406 PolarHBondContact N-O 2.99Å; K187-R406 PolarHBondContact O-NE 3.34Å; K187-R406 PolarHBondContact O-NH2 3.22Å; K187-R406 VanDerWaalsContact O-NH2 3.12Å; K187-V408 HydrophobicContact CB-CG2 4.32Å; K187-V408 HydrophobicContact CD-CB 4.37Å; K187-V408 HydrophobicContact CD-CG2 3.94Å; K187-V408 HydrophobicContact CG-CG2 3.87Å | ||
| 188 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | trans | -69 | 168.3 | 168.6 | 73.1 | 0 | 0 | 0 | 0 | 111.1 | E25 M190 E191 L192 | E25-T188 HydrophobicContact CG-CG2 4.28Å; E25-T188 WeakPolarHBondContact OE1-CG2 3.47Å; T188-M190 PolarHBondContact O-N 3.16Å; T188-M190 PolarHBondContact OG1-N 3.14Å; T188-E191 PolarHBondContact N-OE2 2.77Å; T188-E191 PolarHBondContact O-N 3.01Å; T188-E191 WeakPolarHBondContact OG1-CG 3.35Å; T188-E191 PolarHBondContact OG1-N 3.48Å; T188-E191 VanDerWaalsContact OG1-N 3.11Å; T188-L192 WeakPolarHBondContact O-CG 3.35Å; T188-L192 PolarHBondContact O-N 2.77Å | ||
| 189 | D | 98.9 | Very high | 98.8 | Very high | 100 Ų | 100 | 23.1 Ų | 23.1 | 54% | 0.535 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -64.6 | -35.8 | 176.8 | -64.5 | -32.6 | 0 | 0 | 0 | 110.5 | L192 E193 R406 | D189-L192 PolarHBondContact O-N 2.98Å; D189-E193 WeakPolarHBondContact O-CG 3.4Å; D189-E193 PolarHBondContact O-N 3.37Å; D189-R406 VanDerWaalsContact CG-NH2 3.29Å; D189-R406 IonicContact OD1-CZ 3.88Å; D189-R406 IonicContact OD1-NH1 2.84Å; D189-R406 IonicContact OD1-NH2 3.21Å; D189-R406 PolarHBondContact OD1-NH2 3.43Å; D189-R406 IonicContact OD2-NH2 2.94Å |
| 190 | M | 98.8 | Very high | 98.8 | Very high | 57 Ų | 57 | 28.6 Ų | 28.6 | 28% | 0.281 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 175 | -71.1 | -171.4 | -83.1 | 0 | 0 | 112.1 | A21 L22 E25 T188 E193 V194 | A21-M190 HydrophobicContact CB-CE 4.35Å; A21-M190 HydrophobicContact CB-SD 4.14Å; L22-M190 HydrophobicContact CB-CB 3.95Å; L22-M190 HydrophobicContact CB-CE 4.46Å; L22-M190 HydrophobicContact CB-SD 4.06Å; L22-M190 HydrophobicContact CD1-CB 3.96Å; L22-M190 HydrophobicContact CG-CB 3.8Å; L22-M190 PolarHBondContact N-SD 2.92Å; E25-M190 HydrophobicContact CB-CE 3.95Å; E25-M190 WeakPolarHBondContact OE2-CE 3.19Å; T188-M190 PolarHBondContact O-N 3.16Å; T188-M190 PolarHBondContact OG1-N 3.14Å; M190-E193 PolarHBondContact O-N 2.8Å; M190-V194 WeakPolarHBondContact O-CG2 3.33Å; M190-V194 PolarHBondContact O-N 3.44Å |
| 191 | E | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 173.5 | -68.8 | 179.3 | 124.8 | 0 | 0 | 111.7 | L22 N26 R29 W73 K187 T188 E193 V194 L195 Y284 | L22-E191 HydrophobicContact CD1-CG 4.15Å; L22-E191 HydrophobicContact CD2-CG 3.91Å; L22-E191 HydrophobicContact CG-CG 4.09Å; N26-E191 PolarHBondContact ND2-OE1 2.65Å; R29-E191 IonicContact NH1-OE2 3.22Å; W73-E191 PolarHBondContact NE1-OE1 3.08Å; K187-E191 WeakPolarHBondContact CA-OE2 3.39Å; K187-E191 HydrophobicContact CB-CB 4.04Å; K187-E191 HydrophobicContact CG-CB 4.16Å; T188-E191 PolarHBondContact N-OE2 2.77Å; T188-E191 PolarHBondContact O-N 3.01Å; T188-E191 WeakPolarHBondContact OG1-CG 3.35Å; T188-E191 PolarHBondContact OG1-N 3.48Å; T188-E191 VanDerWaalsContact OG1-N 3.11Å; E191-E193 VanDerWaalsContact C-N 3.3Å; E191-E193 PolarHBondContact O-N 2.93Å; E191-V194 PolarHBondContact O-N 3.11Å; E191-V194 VanDerWaalsContact O-N 3.13Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 2.77Å; E191-Y284 HydrophobicContact CB-CE1 4.06Å; E191-Y284 HydrophobicContact CG-CE1 3.9Å; E191-Y284 PolarHBondContact OE1-OH 3.46Å; E191-Y284 VanDerWaalsContact OE1-OH 3.13Å |
| 192 | L | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.4 | -35.3 | 176.8 | -70.5 | 175.9 | 0 | 0 | 0 | 112.4 | K187 T188 D189 V194 L195 R196 V408 A456 | K187-L192 HydrophobicContact CB-CD2 3.86Å; K187-L192 HydrophobicContact CB-CG 3.96Å; K187-L192 HydrophobicContact CG-CD2 4.46Å; T188-L192 WeakPolarHBondContact O-CG 3.35Å; T188-L192 PolarHBondContact O-N 2.77Å; D189-L192 PolarHBondContact O-N 2.98Å; L192-V194 VanDerWaalsContact C-N 3.31Å; L192-V194 PolarHBondContact O-N 3.3Å; L192-L195 HydrophobicContact CD2-CD1 4.45Å; L192-L195 PolarHBondContact O-N 2.9Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 VanDerWaalsContact O-CG 3.3Å; L192-R196 WeakPolarHBondContact O-CG 3.4Å; L192-R196 PolarHBondContact O-N 2.85Å; L192-V408 HydrophobicContact CD2-CG2 3.62Å; L192-A456 HydrophobicContact CD2-CB 3.77Å |
| 193 | E | 98.9 | Very high | 98.9 | Very high | 99 Ų | 99 | 25 Ų | 25 | 46% | 0.463 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 173.4 | -73.6 | -58.8 | 120 | 0 | 0 | 112.5 | D189 M190 E191 R196 Y197 | D189-E193 WeakPolarHBondContact O-CG 3.4Å; D189-E193 PolarHBondContact O-N 3.37Å; M190-E193 PolarHBondContact O-N 2.8Å; E191-E193 VanDerWaalsContact C-N 3.3Å; E191-E193 PolarHBondContact O-N 2.93Å; E193-R196 IonicContact OE1-CZ 3.88Å; E193-R196 IonicContact OE1-NE 2.84Å; E193-R196 IonicContact OE1-NH1 3.66Å; E193-R196 PolarHBondContact OE1-NH1 3.33Å; E193-Y197 PolarHBondContact O-N 2.7Å; E193-Y197 VanDerWaalsContact O-N 3.09Å |
| 194 | V | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 175.1 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | L16 V18 L22 M190 E191 L192 Y197 T198 Y281 Y284 | L16-V194 HydrophobicContact CD2-CB 4.21Å; L16-V194 HydrophobicContact CD2-CG1 4.32Å; L16-V194 HydrophobicContact CD2-CG2 4.03Å; V18-V194 HydrophobicContact CG1-CG2 3.97Å; V18-V194 HydrophobicContact CG2-CG2 3.88Å; L22-V194 HydrophobicContact CD1-CG2 4.03Å; M190-V194 WeakPolarHBondContact O-CG2 3.33Å; M190-V194 PolarHBondContact O-N 3.44Å; E191-V194 PolarHBondContact O-N 3.11Å; E191-V194 VanDerWaalsContact O-N 3.13Å; L192-V194 VanDerWaalsContact C-N 3.31Å; L192-V194 PolarHBondContact O-N 3.3Å; V194-Y197 WeakPolarHBondContact O-CB 3.34Å; V194-Y197 PolarHBondContact O-N 2.75Å; V194-Y197 VanDerWaalsContact O-N 3.14Å; V194-T198 HydrophobicContact CG1-CG2 4.49Å; V194-T198 WeakPolarHBondContact O-CG2 3.27Å; V194-T198 PolarHBondContact O-N 3.02Å; V194-Y281 HydrophobicContact CG1-CD1 4.17Å; V194-Y284 HydrophobicContact CB-CD1 4.43Å; V194-Y284 HydrophobicContact CB-CD2 4.2Å; V194-Y284 HydrophobicContact CB-CG 4.01Å; V194-Y284 HydrophobicContact CG1-CD2 3.79Å; V194-Y284 HydrophobicContact CG1-CG 3.72Å; V194-Y284 HydrophobicContact CG2-CD2 4.43Å |
| 195 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68 | -34.6 | 179.2 | -66.1 | 170.3 | 0 | 0 | 0 | 113.1 | K187 E191 L192 Y197 T198 N199 Y284 S285 V408 L465 | K187-L195 HydrophobicContact CG-CD1 3.81Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 2.77Å; L192-L195 HydrophobicContact CD2-CD1 4.45Å; L192-L195 PolarHBondContact O-N 2.9Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; L195-T198 WeakPolarHBondContact CA-OG1 3.45Å; L195-T198 PolarHBondContact O-N 3.4Å; L195-T198 PolarHBondContact O-OG1 2.8Å; L195-N199 WeakPolarHBondContact O-CB 3.3Å; L195-N199 PolarHBondContact O-N 3.5Å; L195-N199 PolarHBondContact O-ND2 3.31Å; L195-Y284 HydrophobicContact CD2-CD1 4.15Å; L195-Y284 HydrophobicContact CG-CD1 4.28Å; L195-S285 VanDerWaalsContact CD2-O 3.28Å; L195-S285 WeakPolarHBondContact CD2-O 3.35Å; L195-V408 HydrophobicContact CD1-CB 4.37Å; L195-V408 HydrophobicContact CD1-CG1 4.25Å; L195-V408 HydrophobicContact CD1-CG2 3.86Å; L195-L465 HydrophobicContact CB-CD1 4.28Å |
| 196 | R | 98.9 | Very high | 98.9 | Very high | 67 Ų | 67 | 27.6 Ų | 27.6 | 25% | 0.253 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 169.2 | -75.2 | 175.2 | -173.5 | 112.9 | 9.2 | 110.9 | L192 E193 R200 E463 L465 | L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 VanDerWaalsContact O-CG 3.3Å; L192-R196 WeakPolarHBondContact O-CG 3.4Å; L192-R196 PolarHBondContact O-N 2.85Å; E193-R196 IonicContact OE1-CZ 3.88Å; E193-R196 IonicContact OE1-NE 2.84Å; E193-R196 IonicContact OE1-NH1 3.66Å; E193-R196 PolarHBondContact OE1-NH1 3.33Å; R196-R200 WeakPolarHBondContact O-CB 3.3Å; R196-R200 PolarHBondContact O-N 2.97Å; R196-E463 IonicContact CZ-OE1 3.87Å; R196-E463 IonicContact CZ-OE2 3.46Å; R196-E463 IonicContact NE-OE1 2.93Å; R196-E463 PolarHBondContact NE-OE1 2.84Å; R196-E463 IonicContact NE-OE2 3.32Å; R196-E463 IonicContact NH2-OE1 2.7Å; R196-E463 PolarHBondContact NH2-OE1 3.33Å; R196-E463 IonicContact NH2-OE2 3.79Å; R196-E463 PolarHBondContact NH2-OE2 2.82Å; R196-L465 HydrophobicContact CG-CD2 3.84Å |
| 197 | Y | 98.9 | Very high | 98.9 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 177.2 | 175.5 | -92.1 | 0 | 0 | 0 | 112.1 | T15 L16 E193 V194 L195 N199 R200 V201 G234 M236 Y281 | T15-Y197 VanDerWaalsContact CA-OH 3.25Å; T15-Y197 WeakPolarHBondContact CA-OH 3.36Å; T15-Y197 WeakPolarHBondContact CB-OH 3.41Å; L16-Y197 HydrophobicContact CB-CD1 4Å; L16-Y197 HydrophobicContact CB-CD2 3.55Å; L16-Y197 HydrophobicContact CB-CE1 4.28Å; L16-Y197 HydrophobicContact CB-CE2 3.81Å; L16-Y197 HydrophobicContact CB-CG 3.63Å; L16-Y197 HydrophobicContact CD2-CG 4.12Å; L16-Y197 HydrophobicContact CG-CG 4.4Å; L16-Y197 VanDerWaalsContact N-CE2 3.34Å; E193-Y197 PolarHBondContact O-N 2.7Å; E193-Y197 VanDerWaalsContact O-N 3.09Å; V194-Y197 WeakPolarHBondContact O-CB 3.34Å; V194-Y197 PolarHBondContact O-N 2.75Å; V194-Y197 VanDerWaalsContact O-N 3.14Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; Y197-N199 VanDerWaalsContact C-N 3.34Å; Y197-N199 PolarHBondContact O-N 2.69Å; Y197-R200 PolarHBondContact O-N 3.26Å; Y197-V201 HydrophobicContact CD1-CG2 4.36Å; Y197-V201 HydrophobicContact CD2-CG2 4.48Å; Y197-V201 HydrophobicContact CE1-CG2 3.89Å; Y197-V201 HydrophobicContact CE2-CG2 4.07Å; Y197-V201 WeakPolarHBondContact O-CG2 3.46Å; Y197-V201 PolarHBondContact O-N 3.42Å; Y197-G234 VanDerWaalsContact OH-C 3.22Å; Y197-G234 VanDerWaalsContact OH-CA 3.3Å; Y197-G234 WeakPolarHBondContact OH-CA 3.36Å; Y197-G234 PolarHBondContact OH-O 2.64Å; Y197-M236 HydrophobicContact CE1-CE 4.49Å; Y197-Y281 AromaticContact CD1-CD1 3.95Å; Y197-Y281 HydrophobicContact CD1-CD1 3.95Å; Y197-Y281 HydrophobicContact CD1-CD2 4.44Å; Y197-Y281 HydrophobicContact CD1-CE1 4.48Å; Y197-Y281 AromaticContact CD1-CG 3.91Å; Y197-Y281 HydrophobicContact CD1-CG 3.91Å; Y197-Y281 AromaticContact CE1-CD1 3.9Å; Y197-Y281 HydrophobicContact CE1-CD1 3.9Å; Y197-Y281 AromaticContact CE1-CD2 3.66Å; Y197-Y281 HydrophobicContact CE1-CD2 3.66Å; Y197-Y281 HydrophobicContact CE1-CE1 4.25Å; Y197-Y281 HydrophobicContact CE1-CE2 4.03Å; Y197-Y281 AromaticContact CE1-CG 3.58Å; Y197-Y281 HydrophobicContact CE1-CG 3.58Å |
| 198 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 179.7 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | V194 L195 R200 V201 S202 M236 Y284 S285 | V194-T198 HydrophobicContact CG1-CG2 4.49Å; V194-T198 WeakPolarHBondContact O-CG2 3.27Å; V194-T198 PolarHBondContact O-N 3.02Å; L195-T198 WeakPolarHBondContact CA-OG1 3.45Å; L195-T198 PolarHBondContact O-N 3.4Å; L195-T198 PolarHBondContact O-OG1 2.8Å; T198-R200 PolarHBondContact O-N 3.19Å; T198-V201 PolarHBondContact O-N 3.04Å; T198-S202 WeakPolarHBondContact O-CB 3.39Å; T198-S202 PolarHBondContact O-N 2.69Å; T198-S202 PolarHBondContact O-OG 3.47Å; T198-M236 HydrophobicContact CG2-CE 3.78Å; T198-Y284 VanDerWaalsContact CG2-O 3.31Å; T198-Y284 WeakPolarHBondContact CG2-O 3.41Å; T198-S285 PolarHBondContact OG1-O 3.39Å |
| 199 | N | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 174.2 | -96.9 | -89.6 | 0 | 0 | 0 | 113.5 | L195 Y197 S203 D454 L465 T466 | L195-N199 WeakPolarHBondContact O-CB 3.3Å; L195-N199 PolarHBondContact O-N 3.5Å; L195-N199 PolarHBondContact O-ND2 3.31Å; Y197-N199 VanDerWaalsContact C-N 3.34Å; Y197-N199 PolarHBondContact O-N 2.69Å; N199-S203 WeakPolarHBondContact O-CB 3.36Å; N199-S203 PolarHBondContact O-N 2.93Å; N199-S203 PolarHBondContact O-OG 2.75Å; N199-D454 WeakPolarHBondContact ND2-CB 3.3Å; N199-D454 PolarHBondContact ND2-OD2 2.68Å; N199-D454 WeakPolarHBondContact OD1-CB 3.46Å; N199-D454 PolarHBondContact OD1-OD2 3.23Å; N199-L465 HydrophobicContact CB-CB 3.89Å; N199-L465 WeakPolarHBondContact CB-O 3.35Å; N199-T466 WeakPolarHBondContact OD1-CA 3.27Å; N199-T466 PolarHBondContact OD1-N 3.08Å; N199-T466 PolarHBondContact OD1-OG1 3.19Å |
| 200 | R | 98.9 | Very high | 98.7 | Very high | 121 Ų | 121 | 23.7 Ų | 23.7 | 46% | 0.457 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 178 | -177.4 | -175.3 | 66 | 88.8 | 1.6 | 111.2 | R196 Y197 T198 S203 E204 | R196-R200 WeakPolarHBondContact O-CB 3.3Å; R196-R200 PolarHBondContact O-N 2.97Å; Y197-R200 PolarHBondContact O-N 3.26Å; T198-R200 PolarHBondContact O-N 3.19Å; R200-S203 PolarHBondContact O-N 3.44Å; R200-E204 WeakPolarHBondContact O-CG 3.38Å; R200-E204 PolarHBondContact O-N 2.96Å; R200-E204 VanDerWaalsContact O-N 3.09Å |
| 201 | V | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.03 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -49.6 | -178.6 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | Y197 T198 S203 E204 A205 C230 M236 | Y197-V201 HydrophobicContact CD1-CG2 4.36Å; Y197-V201 HydrophobicContact CD2-CG2 4.48Å; Y197-V201 HydrophobicContact CE1-CG2 3.89Å; Y197-V201 HydrophobicContact CE2-CG2 4.07Å; Y197-V201 WeakPolarHBondContact O-CG2 3.46Å; Y197-V201 PolarHBondContact O-N 3.42Å; T198-V201 PolarHBondContact O-N 3.04Å; V201-S203 VanDerWaalsContact C-N 3.3Å; V201-S203 PolarHBondContact O-N 3.41Å; V201-E204 PolarHBondContact O-N 3.09Å; V201-A205 PolarHBondContact O-N 3Å; V201-C230 HydrophobicContact CG1-CB 4.42Å; V201-M236 HydrophobicContact CB-CE 3.79Å; V201-M236 HydrophobicContact CB-SD 4Å; V201-M236 HydrophobicContact CG1-CE 4.07Å; V201-M236 HydrophobicContact CG1-SD 3.58Å; V201-M236 VanDerWaalsContact CG1-SD 3.58Å; V201-M236 HydrophobicContact CG2-CE 4.37Å |
| 202 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 179.8 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | T198 A205 H206 G279 S286 | T198-S202 WeakPolarHBondContact O-CB 3.39Å; T198-S202 PolarHBondContact O-N 2.69Å; T198-S202 PolarHBondContact O-OG 3.47Å; S202-A205 WeakPolarHBondContact O-CB 3.34Å; S202-A205 PolarHBondContact O-N 2.85Å; S202-H206 PolarHBondContact O-CD2 3.45Å; S202-H206 PolarHBondContact O-N 3.16Å; S202-G279 PolarHBondContact OG-N 2.83Å; S202-S286 PolarHBondContact OG-OG 3.09Å |
| 203 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 173.5 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | N199 R200 V201 A205 H206 K207 C467 | N199-S203 WeakPolarHBondContact O-CB 3.36Å; N199-S203 PolarHBondContact O-N 2.93Å; N199-S203 PolarHBondContact O-OG 2.75Å; R200-S203 PolarHBondContact O-N 3.44Å; V201-S203 VanDerWaalsContact C-N 3.3Å; V201-S203 PolarHBondContact O-N 3.41Å; S203-A205 VanDerWaalsContact C-N 3.33Å; S203-H206 PolarHBondContact O-N 3.02Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.19Å; S203-C467 WeakPolarHBondContact CB-O 3.39Å; S203-C467 PolarHBondContact OG-N 2.83Å |
| 204 | E | 98.8 | Very high | 98 | Very high | 68 Ų | 68 | 22.9 Ų | 22.9 | 32% | 0.318 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -68.5 | -33 | 175.6 | -66.2 | -53.5 | 128.3 | 0 | 0 | 112.2 | R200 V201 K207 M208 Y229 | R200-E204 WeakPolarHBondContact O-CG 3.38Å; R200-E204 PolarHBondContact O-N 2.96Å; R200-E204 VanDerWaalsContact O-N 3.09Å; V201-E204 PolarHBondContact O-N 3.09Å; E204-K207 WeakPolarHBondContact O-CB 2.92Å; E204-K207 PolarHBondContact O-N 3.26Å; E204-K207 IonicContact OE1-NZ 2.77Å; E204-K207 PolarHBondContact OE1-NZ 3.27Å; E204-M208 PolarHBondContact O-N 3.06Å; E204-Y229 HydrophobicContact CB-CE1 3.58Å; E204-Y229 WeakPolarHBondContact CB-OH 3.49Å |
| 205 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | V201 S202 S203 K207 M208 V209 F226 Y229 C230 | V201-A205 PolarHBondContact O-N 3Å; S202-A205 WeakPolarHBondContact O-CB 3.34Å; S202-A205 PolarHBondContact O-N 2.85Å; S203-A205 VanDerWaalsContact C-N 3.33Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.33Å; A205-M208 WeakPolarHBondContact O-CA 3.45Å; A205-M208 VanDerWaalsContact O-CB 3.25Å; A205-M208 WeakPolarHBondContact O-CB 3.4Å; A205-M208 PolarHBondContact O-N 3.28Å; A205-M208 VanDerWaalsContact O-N 3.11Å; A205-V209 WeakPolarHBondContact O-CG2 3.11Å; A205-V209 PolarHBondContact O-N 2.87Å; A205-F226 HydrophobicContact CB-CD2 3.37Å; A205-F226 HydrophobicContact CB-CE2 3.47Å; A205-F226 VanDerWaalsContact CB-CE2 3.47Å; A205-F226 HydrophobicContact CB-CG 4.11Å; A205-F226 HydrophobicContact CB-CZ 4.25Å; A205-Y229 HydrophobicContact CB-CD1 3.65Å; A205-Y229 HydrophobicContact CB-CE1 4.48Å; A205-Y229 HydrophobicContact CB-CG 4.07Å; A205-C230 VanDerWaalsContact CB-SG 3.52Å |
| 206 | H | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 172.6 | -88.1 | -70 | 0 | 0 | 0 | 112.3 | S202 S203 M208 V209 M210 F226 F275 M277 I288 V468 | S202-H206 PolarHBondContact O-CD2 3.45Å; S202-H206 PolarHBondContact O-N 3.16Å; S203-H206 PolarHBondContact O-N 3.02Å; H206-M208 VanDerWaalsContact C-N 3.31Å; H206-M208 PolarHBondContact O-N 2.94Å; H206-V209 PolarHBondContact O-N 2.99Å; H206-M210 HydrophobicContact CB-CE 4.43Å; H206-M210 PolarHBondContact O-N 3.16Å; H206-F226 AromaticContact CD2-CE2 3.69Å; H206-F226 AromaticContact NE2-CE2 3.76Å; H206-F275 PolarHBondContact CE1-O 2.94Å; H206-M277 PolarHBondContact NE2-O 3.45Å; H206-I288 PolarHBondContact CE1-O 3.31Å; H206-I288 PolarHBondContact NE2-O 2.9Å; H206-V468 HydrophobicContact CB-CG1 4.05Å |
| 207 | K | 98.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 28 Ų | 28 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 171.9 | -76.2 | 173.5 | -163.2 | 164.8 | 0 | 111.5 | S203 E204 A205 V209 M210 K211 C467 F478 | S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.19Å; E204-K207 WeakPolarHBondContact O-CB 2.92Å; E204-K207 PolarHBondContact O-N 3.26Å; E204-K207 IonicContact OE1-NZ 2.77Å; E204-K207 PolarHBondContact OE1-NZ 3.27Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.33Å; K207-V209 VanDerWaalsContact C-N 3.29Å; K207-V209 PolarHBondContact O-N 2.96Å; K207-M210 HydrophobicContact CG-CE 4.42Å; K207-M210 PolarHBondContact O-N 3.37Å; K207-K211 PolarHBondContact O-N 2.93Å; K207-K211 VanDerWaalsContact O-N 3.16Å; K207-C467 WeakPolarHBondContact CE-O 3.34Å; K207-C467 PolarHBondContact NZ-O 3.46Å; K207-F478 HydrophobicContact CB-CE1 3.53Å; K207-F478 HydrophobicContact CB-CZ 3.53Å; K207-F478 HydrophobicContact CD-CE2 4.34Å; K207-F478 HydrophobicContact CD-CZ 3.89Å; K207-F478 HydrophobicContact CG-CE1 3.79Å; K207-F478 HydrophobicContact CG-CE2 4.37Å; K207-F478 HydrophobicContact CG-CZ 3.62Å; K207-F478 WeakPolarHBondContact O-CE1 3.25Å |
| 208 | M | 96.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 30.2 Ų | 30.2 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 176.2 | -170.2 | 58.9 | 75.8 | 0 | 0 | 111.9 | E204 A205 H206 K211 N212 L225 Y229 F486 | E204-M208 PolarHBondContact O-N 3.06Å; A205-M208 WeakPolarHBondContact O-CA 3.45Å; A205-M208 VanDerWaalsContact O-CB 3.25Å; A205-M208 WeakPolarHBondContact O-CB 3.4Å; A205-M208 PolarHBondContact O-N 3.28Å; A205-M208 VanDerWaalsContact O-N 3.11Å; H206-M208 VanDerWaalsContact C-N 3.31Å; H206-M208 PolarHBondContact O-N 2.94Å; M208-K211 PolarHBondContact O-N 3.41Å; M208-N212 PolarHBondContact O-N 2.72Å; M208-N212 PolarHBondContact O-ND2 3.21Å; M208-L225 HydrophobicContact CG-CD1 3.98Å; M208-L225 HydrophobicContact CG-CD2 4.08Å; M208-L225 HydrophobicContact CG-CG 4.02Å; M208-Y229 HydrophobicContact CB-CD2 4.25Å; M208-Y229 HydrophobicContact CE-CD2 3.63Å; M208-Y229 HydrophobicContact CE-CE2 3.61Å; M208-Y229 HydrophobicContact CG-CD2 4.28Å; M208-F486 HydrophobicContact CE-CB 3.22Å; M208-F486 HydrophobicContact CE-CD1 4.33Å; M208-F486 HydrophobicContact CE-CD2 3.62Å; M208-F486 HydrophobicContact CE-CG 3.51Å; M208-F486 HydrophobicContact SD-CB 3.29Å; M208-F486 WeakPolarHBondContact SD-CB 3.44Å; M208-F486 HydrophobicContact SD-CG 4.05Å |
| 209 | V | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 178.9 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | A205 H206 K207 K211 N212 V213 M222 L225 F226 F275 M277 | A205-V209 WeakPolarHBondContact O-CG2 3.11Å; A205-V209 PolarHBondContact O-N 2.87Å; H206-V209 PolarHBondContact O-N 2.99Å; K207-V209 VanDerWaalsContact C-N 3.29Å; K207-V209 PolarHBondContact O-N 2.96Å; V209-K211 PolarHBondContact O-N 2.9Å; V209-K211 VanDerWaalsContact O-N 3.15Å; V209-N212 PolarHBondContact O-N 3.4Å; V209-V213 PolarHBondContact O-N 3.15Å; V209-M222 HydrophobicContact CG1-CB 3.81Å; V209-M222 HydrophobicContact CG1-CG 4.16Å; V209-M222 HydrophobicContact CG1-SD 3.96Å; V209-L225 HydrophobicContact CG2-CD2 4.43Å; V209-L225 HydrophobicContact CG2-CG 4.45Å; V209-F226 HydrophobicContact CG2-CB 3.95Å; V209-F275 HydrophobicContact CG1-CD2 3.42Å; V209-F275 VanDerWaalsContact CG1-CD2 3.42Å; V209-F275 HydrophobicContact CG1-CE2 3.48Å; V209-F275 VanDerWaalsContact CG1-CE2 3.48Å; V209-M277 HydrophobicContact CG1-CE 4.45Å; V209-M277 HydrophobicContact CG2-CE 4.13Å |
| 210 | M | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.8 | -33.2 | 176.3 | -81.5 | -176.4 | -82.4 | 0 | 0 | 112.9 | H206 K207 V213 F292 V468 P469 F478 M479 | H206-M210 HydrophobicContact CB-CE 4.43Å; H206-M210 PolarHBondContact O-N 3.16Å; K207-M210 HydrophobicContact CG-CE 4.42Å; K207-M210 PolarHBondContact O-N 3.37Å; M210-V213 WeakPolarHBondContact O-CG1 3.47Å; M210-F292 HydrophobicContact CG-CD1 3.59Å; M210-F292 HydrophobicContact CG-CD2 4.5Å; M210-F292 HydrophobicContact CG-CE1 3.51Å; M210-F292 HydrophobicContact CG-CE2 4.45Å; M210-F292 HydrophobicContact CG-CG 4.1Å; M210-F292 HydrophobicContact CG-CZ 3.97Å; M210-F292 HydrophobicContact SD-CD1 3.92Å; M210-F292 HydrophobicContact SD-CE1 4.32Å; M210-F292 HydrophobicContact SD-CG 4.49Å; M210-V468 HydrophobicContact CE-CB 4.49Å; M210-P469 HydrophobicContact CE-CG 4.23Å; M210-F478 HydrophobicContact CB-CD1 4.39Å; M210-M479 HydrophobicContact CB-CG 4.17Å |
| 211 | K | 94.9 | Very high | 97.8 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 7% | 0.065 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.2 | -28.6 | 176.2 | -78.2 | 178.3 | 168.9 | 168.8 | 0 | 114.3 | K207 M208 V209 R214 F478 K484 | K207-K211 PolarHBondContact O-N 2.93Å; K207-K211 VanDerWaalsContact O-N 3.16Å; M208-K211 PolarHBondContact O-N 3.41Å; V209-K211 PolarHBondContact O-N 2.9Å; V209-K211 VanDerWaalsContact O-N 3.15Å; K211-R214 PolarHBondContact O-NH1 3.45Å; K211-R214 PolarHBondContact O-NH2 3.11Å; K211-F478 HydrophobicContact CD-CE1 3.91Å; K211-F478 HydrophobicContact CD-CZ 4.21Å; K211-F478 VanDerWaalsContact CE-CE1 3.46Å; K211-F478 VanDerWaalsContact CE-CZ 3.44Å; K211-F478 HydrophobicContact CG-CD1 4.17Å; K211-F478 HydrophobicContact CG-CE1 3.79Å; K211-K484 HydrophobicContact CD-CB 4.4Å; K211-K484 VanDerWaalsContact NZ-CD 3.29Å |
| 212 | N | 95.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 33 Ų | 33 | 22% | 0.219 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -104.8 | -15.9 | -171.5 | -76.4 | -82.7 | 0 | 0 | 0 | 114.2 | M208 V209 R214 K217 M222 L225 | M208-N212 PolarHBondContact O-N 2.72Å; M208-N212 PolarHBondContact O-ND2 3.21Å; V209-N212 PolarHBondContact O-N 3.4Å; N212-R214 PolarHBondContact O-N 2.96Å; N212-K217 WeakPolarHBondContact O-CD 3.42Å; N212-K217 WeakPolarHBondContact O-CE 3.39Å; N212-M222 HydrophobicContact CB-CE 4.49Å; N212-L225 HydrophobicContact CB-CD2 3.49Å; N212-L225 VanDerWaalsContact CB-CD2 3.49Å |
| 213 | V | 96 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -66.7 | 126.5 | 178 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | V209 M210 M222 I267 F275 F292 M479 | V209-V213 PolarHBondContact O-N 3.15Å; M210-V213 WeakPolarHBondContact O-CG1 3.47Å; V213-M222 VanDerWaalsContact CA-SD 3.55Å; V213-M222 HydrophobicContact CB-CG 4.47Å; V213-M222 HydrophobicContact CB-SD 3.73Å; V213-M222 HydrophobicContact CG2-CG 4.27Å; V213-M222 HydrophobicContact CG2-SD 4.13Å; V213-I267 HydrophobicContact CG2-CD1 3.69Å; V213-F275 HydrophobicContact CG2-CE2 4.29Å; V213-F275 HydrophobicContact CG2-CZ 4.34Å; V213-F292 HydrophobicContact CB-CE2 4.23Å; V213-F292 HydrophobicContact CG1-CD2 4.21Å; V213-F292 HydrophobicContact CG1-CE2 3.5Å; V213-F292 HydrophobicContact CG1-CZ 4.23Å; V213-F292 HydrophobicContact CG2-CE2 4.16Å; V213-M479 HydrophobicContact CG1-CE 3.46Å; V213-M479 VanDerWaalsContact CG1-CE 3.46Å | ||
| 214 | R | 94.7 | Very high | 97.8 | Very high | 99 Ų | 99 | 38.2 Ų | 38.2 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | trans | -148.7 | 152.6 | 177.5 | -61 | -65.8 | 179.8 | -92 | -0.6 | 109.4 | K211 N212 K217 M479 | K211-R214 PolarHBondContact O-NH1 3.45Å; K211-R214 PolarHBondContact O-NH2 3.11Å; N212-R214 PolarHBondContact O-N 2.96Å; R214-K217 WeakPolarHBondContact O-CB 3.39Å; R214-K217 PolarHBondContact O-N 2.89Å; R214-M479 PolarHBondContact NH2-O 3.14Å | ||
| 215 | P | 98.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 140.8 | 170.9 | -28.2 | 37.3 | 0 | 0 | 0 | 112.3 | I267 D269 N295 | P215-I267 CarbonylContact C-O 3.47Å; P215-I267 WeakPolarHBondContact CA-O 3.36Å; P215-D269 HydrophobicContact CB-CB 4.28Å; P215-D269 HydrophobicContact CG-CB 4.08Å; P215-N295 HydrophobicContact CG-CB 4.29Å |
| 216 | G | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 57% | 0.567 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -20 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I267 | G216-I267 PolarHBondContact N-O 3.45Š|
| 217 | K | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 39.8 Ų | 39.8 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | -72.4 | 162.5 | 171.6 | -71.8 | -175.4 | 160.6 | -75.4 | 0 | 112 | N212 R214 E221 M222 T266 I267 | N212-K217 WeakPolarHBondContact O-CD 3.42Å; N212-K217 WeakPolarHBondContact O-CE 3.39Å; R214-K217 WeakPolarHBondContact O-CB 3.39Å; R214-K217 PolarHBondContact O-N 2.89Å; K217-E221 WeakPolarHBondContact CA-OE1 3.38Å; K217-E221 IonicContact NZ-OE2 3.4Å; K217-E221 PolarHBondContact NZ-OE2 2.83Å; K217-M222 HydrophobicContact CD-CE 3.83Å; K217-T266 CarbonylContact O-C 3.43Å; K217-T266 WeakPolarHBondContact O-CA 3.34Å; K217-I267 HydrophobicContact CB-CD1 4.35Å; K217-I267 WeakPolarHBondContact O-CG1 3.48Å; K217-I267 PolarHBondContact O-N 2.89Å | ||
| 218 | K | 98.8 | Very high | 97.9 | Very high | 60 Ų | 60 | 41.9 Ų | 41.9 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -90.4 | 150.1 | 167.6 | -67.3 | -65.1 | -163.4 | 175.6 | 0 | 111.3 | Y220 E221 D264 K265 T266 | K218-Y220 VanDerWaalsContact C-N 3.3Å; K218-Y220 HydrophobicContact CB-CD1 3.65Å; K218-Y220 HydrophobicContact CB-CD2 4.36Å; K218-Y220 HydrophobicContact CB-CE1 3.39Å; K218-Y220 HydrophobicContact CB-CE2 4.11Å; K218-Y220 HydrophobicContact CB-CG 4.13Å; K218-Y220 HydrophobicContact CD-CE1 4.18Å; K218-Y220 HydrophobicContact CG-CD1 4.24Å; K218-Y220 HydrophobicContact CG-CE1 3.5Å; K218-Y220 PolarHBondContact O-N 3.22Å; K218-E221 HydrophobicContact CB-CG 4.22Å; K218-E221 PolarHBondContact N-OE1 3.03Å; K218-E221 WeakPolarHBondContact O-CB 3.47Å; K218-E221 PolarHBondContact O-N 2.89Å; K218-E221 VanDerWaalsContact O-N 3.14Å; K218-D264 WeakPolarHBondContact CD-O 3.37Å; K218-D264 WeakPolarHBondContact CE-O 3.49Å; K218-D264 PolarHBondContact NZ-O 2.72Å; K218-K265 WeakPolarHBondContact CA-O 3.28Å; K218-K265 WeakPolarHBondContact CD-O 3.45Å; K218-T266 VanDerWaalsContact CE-OG1 3.28Å; K218-T266 WeakPolarHBondContact CE-OG1 3.38Å; K218-T266 PolarHBondContact NZ-OG1 3.47Å |
| 219 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.2 | -44.3 | 174.2 | -67.9 | 169.1 | 155.7 | 0 | 0 | 111.5 | E221 M222 E223 C245 T247 N250 Y256 N263 K265 I267 | E219-E221 PolarHBondContact O-N 2.86Å; E219-E221 VanDerWaalsContact O-N 3.16Å; E219-M222 WeakPolarHBondContact O-CB 3.4Å; E219-M222 PolarHBondContact O-N 3.38Å; E219-E223 PolarHBondContact O-N 3.14Å; E219-C245 HydrophobicContact CB-CB 3.91Å; E219-C245 VanDerWaalsContact CB-O 3.27Å; E219-C245 WeakPolarHBondContact CB-O 3.2Å; E219-C245 WeakPolarHBondContact CG-O 3.3Å; E219-T247 HydrophobicContact CG-CG2 3.87Å; E219-T247 WeakPolarHBondContact OE1-CB 3.14Å; E219-T247 PolarHBondContact OE1-N 3.17Å; E219-T247 PolarHBondContact OE1-OG1 2.91Å; E219-N250 PolarHBondContact OE1-ND2 3.46Å; E219-Y256 VanDerWaalsContact OE2-CE1 3.23Å; E219-Y256 WeakPolarHBondContact OE2-CE1 3.22Å; E219-Y256 PolarHBondContact OE2-OH 3.05Å; E219-N263 HydrophobicContact CB-CB 3.93Å; E219-N263 WeakPolarHBondContact CB-O 3.31Å; E219-K265 HydrophobicContact CG-CB 4.4Å; E219-K265 PolarHBondContact N-O 3.27Å; E219-K265 VanDerWaalsContact N-O 3.11Å; E219-K265 VanDerWaalsContact OE2-CB 3.26Å; E219-K265 WeakPolarHBondContact OE2-CB 3.39Å; E219-K265 PolarHBondContact OE2-N 2.98Å; E219-K265 VanDerWaalsContact OE2-N 3.1Å; E219-I267 HydrophobicContact CG-CG1 4.23Å |
| 220 | Y | 98.8 | Very high | 98 | Very high | 119 Ų | 119 | 42.9 Ų | 42.9 | 47% | 0.467 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -21.8 | 178.4 | 68.9 | -110.1 | 0 | 0 | 0 | 114.2 | K218 M222 E223 S224 N263 | K218-Y220 VanDerWaalsContact C-N 3.3Å; K218-Y220 HydrophobicContact CB-CD1 3.65Å; K218-Y220 HydrophobicContact CB-CD2 4.36Å; K218-Y220 HydrophobicContact CB-CE1 3.39Å; K218-Y220 HydrophobicContact CB-CE2 4.11Å; K218-Y220 HydrophobicContact CB-CG 4.13Å; K218-Y220 HydrophobicContact CD-CE1 4.18Å; K218-Y220 HydrophobicContact CG-CD1 4.24Å; K218-Y220 HydrophobicContact CG-CE1 3.5Å; K218-Y220 PolarHBondContact O-N 3.22Å; Y220-M222 PolarHBondContact O-N 2.88Å; Y220-E223 PolarHBondContact O-N 3.42Å; Y220-S224 WeakPolarHBondContact O-CB 3.12Å; Y220-S224 PolarHBondContact O-N 2.91Å; Y220-N263 WeakPolarHBondContact CB-O 3.41Å; Y220-N263 WeakPolarHBondContact CD1-O 3.39Å; Y220-N263 PolarHBondContact N-O 3.42Å |
| 221 | E | 98.8 | Very high | 98 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.7 | -32.9 | 174.6 | -71.3 | 176 | -112.7 | 0 | 0 | 110.4 | K217 K218 E219 L225 | K217-E221 WeakPolarHBondContact CA-OE1 3.38Å; K217-E221 IonicContact NZ-OE2 3.4Å; K217-E221 PolarHBondContact NZ-OE2 2.83Å; K218-E221 HydrophobicContact CB-CG 4.22Å; K218-E221 PolarHBondContact N-OE1 3.03Å; K218-E221 WeakPolarHBondContact O-CB 3.47Å; K218-E221 PolarHBondContact O-N 2.89Å; K218-E221 VanDerWaalsContact O-N 3.14Å; E219-E221 PolarHBondContact O-N 2.86Å; E219-E221 VanDerWaalsContact O-N 3.16Å; E221-L225 WeakPolarHBondContact O-CB 3.29Å; E221-L225 PolarHBondContact O-N 3.12Å; E221-L225 VanDerWaalsContact O-N 3.08Å |
| 222 | M | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -78.1 | -39.2 | 178.3 | -58.7 | -62 | 90.7 | 0 | 0 | 111.4 | V209 N212 V213 K217 E219 Y220 S224 L225 F226 I267 F275 | V209-M222 HydrophobicContact CG1-CB 3.81Å; V209-M222 HydrophobicContact CG1-CG 4.16Å; V209-M222 HydrophobicContact CG1-SD 3.96Å; N212-M222 HydrophobicContact CB-CE 4.49Å; V213-M222 VanDerWaalsContact CA-SD 3.55Å; V213-M222 HydrophobicContact CB-CG 4.47Å; V213-M222 HydrophobicContact CB-SD 3.73Å; V213-M222 HydrophobicContact CG2-CG 4.27Å; V213-M222 HydrophobicContact CG2-SD 4.13Å; K217-M222 HydrophobicContact CD-CE 3.83Å; E219-M222 WeakPolarHBondContact O-CB 3.4Å; E219-M222 PolarHBondContact O-N 3.38Å; Y220-M222 PolarHBondContact O-N 2.88Å; M222-S224 VanDerWaalsContact C-N 3.34Å; M222-S224 PolarHBondContact O-N 3.23Å; M222-L225 HydrophobicContact CE-CD2 4.39Å; M222-L225 PolarHBondContact O-N 2.97Å; M222-F226 WeakPolarHBondContact O-CB 3.44Å; M222-F226 PolarHBondContact O-N 2.67Å; M222-I267 HydrophobicContact CG-CD1 4.2Å; M222-F275 HydrophobicContact CB-CD2 4.3Å; M222-F275 HydrophobicContact CB-CE2 3.49Å; M222-F275 VanDerWaalsContact CB-CE2 3.49Å; M222-F275 HydrophobicContact CB-CZ 3.93Å; M222-F275 HydrophobicContact CG-CE2 3.61Å; M222-F275 HydrophobicContact CG-CZ 3.87Å |
| 223 | E | 98.9 | Very high | 98.3 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.5 | -50.7 | 168 | 170 | 173.5 | -164.9 | 0 | 0 | 111.1 | E219 Y220 L225 F226 Q227 C243 N263 | E219-E223 PolarHBondContact O-N 3.14Å; Y220-E223 PolarHBondContact O-N 3.42Å; E223-L225 PolarHBondContact O-N 2.99Å; E223-F226 PolarHBondContact O-N 2.69Å; E223-Q227 WeakPolarHBondContact O-CG 3.35Å; E223-Q227 PolarHBondContact O-N 3.46Å; E223-Q227 PolarHBondContact OE1-NE2 2.6Å; E223-Q227 VanDerWaalsContact OE1-NE2 3.08Å; E223-C243 HydrophobicContact CB-CB 4.2Å; E223-C243 HydrophobicContact CG-CB 3.66Å; E223-N263 PolarHBondContact OE2-ND2 2.86Å |
| 224 | S | 98.9 | Very high | 98.4 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | -179.2 | -178.1 | 0 | 0 | 0 | 0 | 112 | Y220 M222 Q227 H228 | Y220-S224 WeakPolarHBondContact O-CB 3.12Å; Y220-S224 PolarHBondContact O-N 2.91Å; M222-S224 VanDerWaalsContact C-N 3.34Å; M222-S224 PolarHBondContact O-N 3.23Å; S224-Q227 PolarHBondContact O-N 3.43Å; S224-H228 VanDerWaalsContact O-CB 3.29Å; S224-H228 WeakPolarHBondContact O-CB 3.44Å; S224-H228 PolarHBondContact O-N 3.34Å |
| 225 | L | 98.7 | Very high | 98.6 | Very high | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 177 | 178.8 | 60.3 | 0 | 0 | 0 | 112.3 | M208 V209 N212 E221 M222 E223 H228 Y229 | M208-L225 HydrophobicContact CG-CD1 3.98Å; M208-L225 HydrophobicContact CG-CD2 4.08Å; M208-L225 HydrophobicContact CG-CG 4.02Å; V209-L225 HydrophobicContact CG2-CD2 4.43Å; V209-L225 HydrophobicContact CG2-CG 4.45Å; N212-L225 HydrophobicContact CB-CD2 3.49Å; N212-L225 VanDerWaalsContact CB-CD2 3.49Å; E221-L225 WeakPolarHBondContact O-CB 3.29Å; E221-L225 PolarHBondContact O-N 3.12Å; E221-L225 VanDerWaalsContact O-N 3.08Å; M222-L225 HydrophobicContact CE-CD2 4.39Å; M222-L225 PolarHBondContact O-N 2.97Å; E223-L225 PolarHBondContact O-N 2.99Å; L225-H228 PolarHBondContact O-N 2.82Å; L225-Y229 PolarHBondContact O-N 3.31Å |
| 226 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -52.7 | 175.6 | 179.6 | -90.3 | 0 | 0 | 0 | 111 | A205 H206 V209 M222 E223 H228 Y229 C230 M277 | A205-F226 HydrophobicContact CB-CD2 3.37Å; A205-F226 HydrophobicContact CB-CE2 3.47Å; A205-F226 VanDerWaalsContact CB-CE2 3.47Å; A205-F226 HydrophobicContact CB-CG 4.11Å; A205-F226 HydrophobicContact CB-CZ 4.25Å; H206-F226 AromaticContact CD2-CE2 3.69Å; H206-F226 AromaticContact NE2-CE2 3.76Å; V209-F226 HydrophobicContact CG2-CB 3.95Å; M222-F226 WeakPolarHBondContact O-CB 3.44Å; M222-F226 PolarHBondContact O-N 2.67Å; E223-F226 PolarHBondContact O-N 2.69Å; F226-H228 VanDerWaalsContact C-N 3.31Å; F226-H228 PolarHBondContact O-N 2.8Å; F226-Y229 PolarHBondContact O-N 3.28Å; F226-C230 VanDerWaalsContact CE1-SG 3.57Å; F226-C230 WeakPolarHBondContact O-CB 3.09Å; F226-C230 PolarHBondContact O-N 3.41Å; F226-C230 PolarHBondContact O-SG 2.52Å; F226-M277 HydrophobicContact CB-CE 3.83Å; F226-M277 HydrophobicContact CB-SD 3.66Å; F226-M277 HydrophobicContact CD1-CB 3.82Å; F226-M277 HydrophobicContact CD1-SD 4.14Å; F226-M277 HydrophobicContact CD2-CB 3.95Å; F226-M277 HydrophobicContact CD2-CE 3.56Å; F226-M277 HydrophobicContact CD2-SD 4.09Å; F226-M277 HydrophobicContact CE1-CB 3.64Å; F226-M277 HydrophobicContact CE2-CB 3.75Å; F226-M277 HydrophobicContact CE2-CE 4.28Å; F226-M277 HydrophobicContact CG-CB 3.98Å; F226-M277 HydrophobicContact CG-CE 3.77Å; F226-M277 HydrophobicContact CG-CG 4.47Å; F226-M277 HydrophobicContact CG-SD 3.7Å; F226-M277 HydrophobicContact CZ-CB 3.6Å; F226-M277 WeakPolarHBondContact CZ-O 3.43Å |
| 227 | Q | 98.9 | Very high | 98.6 | Very high | 74 Ų | 74 | 50 Ų | 50 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 179.7 | -69.5 | 178.8 | 23.8 | 0 | 0 | 111.7 | E223 S224 Y229 C230 Y231 T239 | E223-Q227 WeakPolarHBondContact O-CG 3.35Å; E223-Q227 PolarHBondContact O-N 3.46Å; E223-Q227 PolarHBondContact OE1-NE2 2.6Å; E223-Q227 VanDerWaalsContact OE1-NE2 3.08Å; S224-Q227 PolarHBondContact O-N 3.43Å; Q227-Y229 PolarHBondContact O-N 3.11Å; Q227-C230 PolarHBondContact O-N 2.9Å; Q227-Y231 WeakPolarHBondContact O-CB 3.47Å; Q227-Y231 PolarHBondContact O-N 3.39Å; Q227-T239 HydrophobicContact CG-CG2 3.79Å |
| 228 | H | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.9 | 173.3 | 74 | 0 | 0 | 0 | 111.7 | S224 L225 F226 S232 F486 | S224-H228 VanDerWaalsContact O-CB 3.29Å; S224-H228 WeakPolarHBondContact O-CB 3.44Å; S224-H228 PolarHBondContact O-N 3.34Å; L225-H228 PolarHBondContact O-N 2.82Å; F226-H228 VanDerWaalsContact C-N 3.31Å; F226-H228 PolarHBondContact O-N 2.8Å; H228-S232 VanDerWaalsContact O-CB 3.23Å; H228-S232 WeakPolarHBondContact O-CB 3.41Å; H228-S232 PolarHBondContact O-N 3.28Å; H228-S232 PolarHBondContact O-OG 2.8Å; H228-F486 AromaticContact CD2-CE1 3.99Å; H228-F486 AromaticContact NE2-CE1 3.68Å; H228-F486 AromaticContact NE2-CZ 3.98Å |
| 229 | Y | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | 178.3 | -171.6 | -81.2 | 0 | 0 | 0 | 111.3 | E204 A205 M208 L225 F226 Q227 Y231 S232 K233 | E204-Y229 HydrophobicContact CB-CE1 3.58Å; E204-Y229 WeakPolarHBondContact CB-OH 3.49Å; A205-Y229 HydrophobicContact CB-CD1 3.65Å; A205-Y229 HydrophobicContact CB-CE1 4.48Å; A205-Y229 HydrophobicContact CB-CG 4.07Å; M208-Y229 HydrophobicContact CB-CD2 4.25Å; M208-Y229 HydrophobicContact CE-CD2 3.63Å; M208-Y229 HydrophobicContact CE-CE2 3.61Å; M208-Y229 HydrophobicContact CG-CD2 4.28Å; L225-Y229 PolarHBondContact O-N 3.31Å; F226-Y229 PolarHBondContact O-N 3.28Å; Q227-Y229 PolarHBondContact O-N 3.11Å; Y229-Y231 VanDerWaalsContact C-N 3.28Å; Y229-Y231 PolarHBondContact O-N 2.98Å; Y229-S232 PolarHBondContact O-N 2.85Å; Y229-K233 HydrophobicContact CD1-CB 4.42Å; Y229-K233 HydrophobicContact CD2-CG 4.22Å; Y229-K233 HydrophobicContact CE1-CB 4.17Å; Y229-K233 HydrophobicContact CE1-CG 4.46Å; Y229-K233 HydrophobicContact CE2-CG 4.04Å; Y229-K233 WeakPolarHBondContact O-CB 3.49Å; Y229-K233 PolarHBondContact O-N 3.46Å |
| 230 | C | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.6 | -42.9 | 179.9 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | V201 A205 F226 Q227 G234 G235 M236 | V201-C230 HydrophobicContact CG1-CB 4.42Å; A205-C230 VanDerWaalsContact CB-SG 3.52Å; F226-C230 VanDerWaalsContact CE1-SG 3.57Å; F226-C230 WeakPolarHBondContact O-CB 3.09Å; F226-C230 PolarHBondContact O-N 3.41Å; F226-C230 PolarHBondContact O-SG 2.52Å; Q227-C230 PolarHBondContact O-N 2.9Å; C230-G234 CarbonylContact O-C 3.59Å; C230-G234 VanDerWaalsContact O-C 3.28Å; C230-G234 WeakPolarHBondContact O-CA 3.17Å; C230-G234 PolarHBondContact O-N 3Å; C230-G235 PolarHBondContact O-N 3.36Å; C230-M236 HydrophobicContact CB-CB 4.07Å; C230-M236 HydrophobicContact CB-SD 3.89Å; C230-M236 WeakPolarHBondContact O-CB 3.41Å; C230-M236 PolarHBondContact O-N 3.47Å; C230-M236 VanDerWaalsContact O-N 3.08Å |
| 231 | Y | 98.8 | Very high | 98.6 | Very high | 113 Ų | 113 | 45.9 Ų | 45.9 | 44% | 0.443 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -76.4 | -51.7 | -179.6 | -166.1 | -170.6 | 0 | 0 | 0 | 112.2 | Q227 Y229 K233 G235 M236 R237 | Q227-Y231 WeakPolarHBondContact O-CB 3.47Å; Q227-Y231 PolarHBondContact O-N 3.39Å; Y229-Y231 VanDerWaalsContact C-N 3.28Å; Y229-Y231 PolarHBondContact O-N 2.98Å; Y231-K233 PolarHBondContact O-N 3.48Å; Y231-G235 VanDerWaalsContact O-CA 3.26Å; Y231-G235 WeakPolarHBondContact O-CA 3.39Å; Y231-G235 PolarHBondContact O-N 2.86Å; Y231-M236 WeakPolarHBondContact CA-O 3.43Å; Y231-M236 WeakPolarHBondContact CB-O 3.16Å; Y231-R237 HydrophobicContact CD2-CB 4.11Å; Y231-R237 HydrophobicContact CE1-CB 4.4Å; Y231-R237 HydrophobicContact CE1-CG 3.92Å; Y231-R237 HydrophobicContact CE2-CB 3.63Å; Y231-R237 HydrophobicContact CE2-CG 3.94Å; Y231-R237 WeakPolarHBondContact OH-CD 3.49Å; Y231-R237 PolarHBondContact OH-NE 3.44Å |
| 232 | S | 98 | Very high | 98.7 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.1 | -36.2 | -173.5 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | H228 Y229 | H228-S232 VanDerWaalsContact O-CB 3.23Å; H228-S232 WeakPolarHBondContact O-CB 3.41Å; H228-S232 PolarHBondContact O-N 3.28Å; H228-S232 PolarHBondContact O-OG 2.8Å; Y229-S232 PolarHBondContact O-N 2.85Å |
| 233 | K | 97.7 | Very high | 98.7 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -100.6 | -28.3 | -179.2 | -56.5 | -52.8 | -177.6 | -168.9 | 0 | 113.1 | Y229 Y231 | Y229-K233 HydrophobicContact CD1-CB 4.42Å; Y229-K233 HydrophobicContact CD2-CG 4.22Å; Y229-K233 HydrophobicContact CE1-CB 4.17Å; Y229-K233 HydrophobicContact CE1-CG 4.46Å; Y229-K233 HydrophobicContact CE2-CG 4.04Å; Y229-K233 WeakPolarHBondContact O-CB 3.49Å; Y229-K233 PolarHBondContact O-N 3.46Å; Y231-K233 PolarHBondContact O-N 3.48Å |
| 234 | G | 98.3 | Very high | 98.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -104.6 | -11.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y197 C230 M236 Y281 | Y197-G234 VanDerWaalsContact OH-C 3.22Å; Y197-G234 VanDerWaalsContact OH-CA 3.3Å; Y197-G234 WeakPolarHBondContact OH-CA 3.36Å; Y197-G234 PolarHBondContact OH-O 2.64Å; C230-G234 CarbonylContact O-C 3.59Å; C230-G234 VanDerWaalsContact O-C 3.28Å; C230-G234 WeakPolarHBondContact O-CA 3.17Å; C230-G234 PolarHBondContact O-N 3Å; G234-M236 PolarHBondContact O-N 3.27Å; G234-Y281 VanDerWaalsContact O-CD2 3.24Å; G234-Y281 WeakPolarHBondContact O-CD2 3.41Å; G234-Y281 WeakPolarHBondContact O-CE2 3.41Å |
| 235 | G | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 42 Ų | 42 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | trans | 66.2 | 16.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | L11 C230 Y231 R237 | L11-G235 WeakPolarHBondContact CD1-O 3.24Å; C230-G235 PolarHBondContact O-N 3.36Å; Y231-G235 VanDerWaalsContact O-CA 3.26Å; Y231-G235 WeakPolarHBondContact O-CA 3.39Å; Y231-G235 PolarHBondContact O-N 2.86Å; G235-R237 PolarHBondContact O-N 3.45Å; G235-R237 VanDerWaalsContact O-N 3.16Å | ||
| 236 | M | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | trans | -85 | 87.7 | -179.1 | -63.5 | 169.9 | 157.7 | 0 | 0 | 110.4 | Y197 T198 V201 C230 Y231 G234 H238 E280 Y281 | Y197-M236 HydrophobicContact CE1-CE 4.49Å; T198-M236 HydrophobicContact CG2-CE 3.78Å; V201-M236 HydrophobicContact CB-CE 3.79Å; V201-M236 HydrophobicContact CB-SD 4Å; V201-M236 HydrophobicContact CG1-CE 4.07Å; V201-M236 HydrophobicContact CG1-SD 3.58Å; V201-M236 VanDerWaalsContact CG1-SD 3.58Å; V201-M236 HydrophobicContact CG2-CE 4.37Å; C230-M236 HydrophobicContact CB-CB 4.07Å; C230-M236 HydrophobicContact CB-SD 3.89Å; C230-M236 WeakPolarHBondContact O-CB 3.41Å; C230-M236 PolarHBondContact O-N 3.47Å; C230-M236 VanDerWaalsContact O-N 3.08Å; Y231-M236 WeakPolarHBondContact CA-O 3.43Å; Y231-M236 WeakPolarHBondContact CB-O 3.16Å; G234-M236 PolarHBondContact O-N 3.27Å; M236-H238 VanDerWaalsContact C-N 3.26Å; M236-H238 PolarHBondContact O-N 2.8Å; M236-E280 WeakPolarHBondContact CA-O 3.34Å; M236-E280 VanDerWaalsContact CB-O 3.28Å; M236-E280 WeakPolarHBondContact CB-O 3.46Å; M236-E280 WeakPolarHBondContact CG-O 3.28Å; M236-Y281 HydrophobicContact CG-CD2 4.33Å | ||
| 237 | R | 98.8 | Very high | 98.7 | Very high | 149 Ų | 149 | 40.7 Ų | 40.7 | 56% | 0.562 | 19% | 0.194 | S | C | * | . | trans | -67.6 | -28.5 | -179.5 | -170.7 | 171.8 | -171.1 | -177.1 | 2.7 | 113 | L64 Y231 G235 | L64-R237 HydrophobicContact CD2-CG 3.83Å; Y231-R237 HydrophobicContact CD2-CB 4.11Å; Y231-R237 HydrophobicContact CE1-CB 4.4Å; Y231-R237 HydrophobicContact CE1-CG 3.92Å; Y231-R237 HydrophobicContact CE2-CB 3.63Å; Y231-R237 HydrophobicContact CE2-CG 3.94Å; Y231-R237 WeakPolarHBondContact OH-CD 3.49Å; Y231-R237 PolarHBondContact OH-NE 3.44Å; G235-R237 PolarHBondContact O-N 3.45Å; G235-R237 VanDerWaalsContact O-N 3.16Å | ||
| 238 | H | 98.8 | Very high | 98.6 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 152.4 | 175.6 | -59.1 | 105.3 | 0 | 0 | 0 | 110.1 | L64 M236 E280 | L64-H238 VanDerWaalsContact CD2-NE2 3.27Å; L64-H238 WeakPolarHBondContact CD2-NE2 3.26Å; L64-H238 WeakPolarHBondContact CG-NE2 3.23Å; M236-H238 VanDerWaalsContact C-N 3.26Å; M236-H238 PolarHBondContact O-N 2.8Å; H238-E280 HydrophobicContact CB-CB 4.2Å; H238-E280 IonicContact ND1-OE1 3.32Å; H238-E280 PolarHBondContact O-N 3.5Å |
| 239 | T | 98.3 | Very high | 98.6 | Very high | 42 Ų | 42 | 38 Ų | 38 | 26% | 0.258 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 154.2 | 158.8 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | Q227 Y241 G278 | Q227-T239 HydrophobicContact CG-CG2 3.79Å; T239-Y241 VanDerWaalsContact CB-O 3.27Å; T239-Y241 WeakPolarHBondContact CB-O 3.5Å; T239-Y241 PolarHBondContact O-N 2.6Å; T239-Y241 PolarHBondContact OG1-O 2.78Å; T239-G278 WeakPolarHBondContact CA-O 3.4Å; T239-G278 WeakPolarHBondContact CB-O 3.48Å |
| 240 | S | 98.5 | Very high | 98.6 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -68.2 | -25 | 178.8 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | G278 G279 S285 S286 | S240-G278 PolarHBondContact N-O 2.92Å; S240-G279 PolarHBondContact OG-O 3.5Å; S240-S285 WeakPolarHBondContact CB-OG 3.35Å; S240-S285 WeakPolarHBondContact OG-CA 3.22Å; S240-S285 WeakPolarHBondContact OG-CB 3.3Å; S240-S285 PolarHBondContact OG-OG 2.63Å; S240-S286 PolarHBondContact OG-N 2.79Å |
| 241 | Y | 98.9 | Very high | 98.6 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -159.2 | 172.4 | 177.4 | 53.8 | -77.9 | 0 | 0 | 0 | 109.4 | T239 C243 I244 D276 M277 G278 D287 V376 | T239-Y241 VanDerWaalsContact CB-O 3.27Å; T239-Y241 WeakPolarHBondContact CB-O 3.5Å; T239-Y241 PolarHBondContact O-N 2.6Å; T239-Y241 PolarHBondContact OG1-O 2.78Å; Y241-C243 PolarHBondContact O-N 2.83Å; Y241-I244 HydrophobicContact CD2-CD1 4.5Å; Y241-I244 HydrophobicContact CE2-CD1 4.32Å; Y241-I244 HydrophobicContact CE2-CG1 4.47Å; Y241-D276 VanDerWaalsContact CE2-OD1 3.27Å; Y241-D276 WeakPolarHBondContact CE2-OD1 3.13Å; Y241-D276 PolarHBondContact OH-OD1 3.36Å; Y241-M277 WeakPolarHBondContact OH-CA 2.98Å; Y241-M277 PolarHBondContact OH-N 3.2Å; Y241-G278 PolarHBondContact OH-N 2.98Å; Y241-G278 VanDerWaalsContact OH-N 3.12Å; Y241-D287 HydrophobicContact CE1-CB 4.45Å; Y241-D287 WeakPolarHBondContact CE1-OD1 3.48Å; Y241-D287 VanDerWaalsContact CZ-OD1 3.24Å; Y241-D287 PolarHBondContact OH-OD1 2.65Å; Y241-V376 HydrophobicContact CD1-CB 4.19Å; Y241-V376 HydrophobicContact CD1-CG1 4.36Å; Y241-V376 HydrophobicContact CD1-CG2 3.69Å; Y241-V376 HydrophobicContact CE1-CG2 3.96Å |
| 242 | T | 98.9 | Very high | 98.6 | Very high | 83 Ų | 83 | 33.5 Ų | 33.5 | 51% | 0.509 | 17% | 0.174 | S | C | . | . | trans | -64.4 | 124.4 | 173.1 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | I244 G257 | T242-I244 PolarHBondContact O-N 3.17Å; T242-G257 WeakPolarHBondContact CG2-O 3.27Å | ||
| 243 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -57.6 | 135.5 | 179.3 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | E223 Y241 N263 M277 | E223-C243 HydrophobicContact CB-CB 4.2Å; E223-C243 HydrophobicContact CG-CB 3.66Å; Y241-C243 PolarHBondContact O-N 2.83Å; C243-N263 PolarHBondContact O-ND2 2.82Å; C243-M277 HydrophobicContact CB-CB 4.5Å; C243-M277 HydrophobicContact CB-CG 3.72Å; C243-M277 HydrophobicContact CB-SD 4.02Å | ||
| 244 | I | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 102.8 | -178.8 | -54.1 | 171.8 | 0 | 0 | 0 | 107.4 | Y241 T242 Y256 F275 D276 | Y241-I244 HydrophobicContact CD2-CD1 4.5Å; Y241-I244 HydrophobicContact CE2-CD1 4.32Å; Y241-I244 HydrophobicContact CE2-CG1 4.47Å; T242-I244 PolarHBondContact O-N 3.17Å; I244-Y256 WeakPolarHBondContact CG1-O 3.36Å; I244-F275 WeakPolarHBondContact O-CA 3.35Å; I244-D276 HydrophobicContact CB-CB 3.98Å; I244-D276 HydrophobicContact CD1-CB 4.27Å; I244-D276 HydrophobicContact CG2-CB 4.47Å; I244-D276 PolarHBondContact N-O 3.08Å; I244-D276 PolarHBondContact O-N 3.17Å |
| 245 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 53.5 | -175.3 | -66.2 | 0 | 0 | 0 | 0 | 112 | E219 N263 F275 | E219-C245 HydrophobicContact CB-CB 3.91Å; E219-C245 VanDerWaalsContact CB-O 3.27Å; E219-C245 WeakPolarHBondContact CB-O 3.2Å; E219-C245 WeakPolarHBondContact CG-O 3.3Å; C245-N263 HydrophobicContact CB-CB 4.33Å; C245-N263 PolarHBondContact N-OD1 3.39Å; C245-F275 HydrophobicContact CB-CD1 4.01Å; C245-F275 HydrophobicContact CB-CE1 3.87Å; C245-F275 HydrophobicContact CB-CZ 4.39Å |
| 246 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 128.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | L274 | G246-L274 PolarHBondContact N-O 3.45Å; G246-L274 VanDerWaalsContact N-O 3.09Å; G246-L274 PolarHBondContact O-N 3.48Å |
| 247 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147 | 173.8 | 64 | 0 | 0 | 0 | 0 | 114 | E219 N249 N250 K265 I267 M272 C273 F275 | E219-T247 HydrophobicContact CG-CG2 3.87Å; E219-T247 WeakPolarHBondContact OE1-CB 3.14Å; E219-T247 PolarHBondContact OE1-N 3.17Å; E219-T247 PolarHBondContact OE1-OG1 2.91Å; T247-N249 PolarHBondContact O-N 3.19Å; T247-N250 WeakPolarHBondContact O-CB 3.49Å; T247-N250 PolarHBondContact O-N 2.89Å; T247-N250 VanDerWaalsContact O-N 3.12Å; T247-K265 VanDerWaalsContact C-NZ 3.27Å; T247-K265 PolarHBondContact O-NZ 3.5Å; T247-K265 PolarHBondContact OG1-NZ 3.12Å; T247-I267 HydrophobicContact CG2-CD1 4.24Å; T247-I267 HydrophobicContact CG2-CG1 3.91Å; T247-I267 HydrophobicContact CG2-CG2 4.27Å; T247-M272 CarbonylContact C-O 3.58Å; T247-M272 WeakPolarHBondContact CA-O 3.39Å; T247-C273 HydrophobicContact CG2-CB 4.25Å; T247-C273 VanDerWaalsContact CG2-SG 3.6Å; T247-F275 HydrophobicContact CG2-CE1 3.73Å; T247-F275 HydrophobicContact CG2-CZ 4.2Å |
| 248 | G | 98.4 | Very high | 98.6 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | 53.6 | -129.6 | -174 | 0 | 0 | 0 | 0 | 0 | 109.8 | N250 S251 D271 M272 G447 | G248-N250 PolarHBondContact O-N 2.73Å; G248-N250 VanDerWaalsContact O-N 3.07Å; G248-S251 WeakPolarHBondContact O-CB 3.4Å; G248-S251 PolarHBondContact O-N 3.14Å; G248-S251 PolarHBondContact O-OG 2.91Å; G248-D271 VanDerWaalsContact CA-OD1 3.31Å; G248-D271 WeakPolarHBondContact CA-OD1 3Å; G248-M272 PolarHBondContact N-O 3.33Å; G248-G447 WeakPolarHBondContact O-CA 3.34Å |
| 249 | N | 97.3 | Very high | 98.6 | Very high | 90 Ų | 90 | 37.8 Ų | 37.8 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -51.6 | -33.8 | 177.1 | -67 | -10.1 | 0 | 0 | 0 | 114.7 | T247 S251 S252 G445 | T247-N249 PolarHBondContact O-N 3.19Å; N249-S251 PolarHBondContact O-N 2.86Å; N249-S252 WeakPolarHBondContact O-CB 3.32Å; N249-S252 PolarHBondContact O-N 2.92Å; N249-S252 PolarHBondContact O-OG 2.76Å; N249-G445 WeakPolarHBondContact OD1-CA 3.3Å; N249-G445 PolarHBondContact OD1-O 3.28Å |
| 250 | N | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 39 Ų | 39 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -63.9 | -24.5 | -177.5 | -68 | -11.4 | 0 | 0 | 0 | 112.3 | E219 T247 G248 S252 V253 Y256 K265 | E219-N250 PolarHBondContact OE1-ND2 3.46Å; T247-N250 WeakPolarHBondContact O-CB 3.49Å; T247-N250 PolarHBondContact O-N 2.89Å; T247-N250 VanDerWaalsContact O-N 3.12Å; G248-N250 PolarHBondContact O-N 2.73Å; G248-N250 VanDerWaalsContact O-N 3.07Å; N250-S252 PolarHBondContact O-N 3.4Å; N250-S252 VanDerWaalsContact O-N 3.1Å; N250-V253 WeakPolarHBondContact O-CB 3.5Å; N250-V253 PolarHBondContact O-N 2.8Å; N250-Y256 HydrophobicContact CB-CD1 4.22Å; N250-Y256 HydrophobicContact CB-CD2 4.1Å; N250-Y256 HydrophobicContact CB-CE1 4.16Å; N250-Y256 HydrophobicContact CB-CE2 4.04Å; N250-Y256 HydrophobicContact CB-CG 4.22Å; N250-Y256 PolarHBondContact ND2-OH 2.76Å; N250-K265 WeakPolarHBondContact ND2-CB 3.48Å; N250-K265 WeakPolarHBondContact ND2-CD 3.24Å |
| 251 | S | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -65.7 | -8 | 173.2 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | G248 N249 L274 Y416 G447 G448 | G248-S251 WeakPolarHBondContact O-CB 3.4Å; G248-S251 PolarHBondContact O-N 3.14Å; G248-S251 PolarHBondContact O-OG 2.91Å; N249-S251 PolarHBondContact O-N 2.86Å; S251-L274 VanDerWaalsContact CB-CB 3.45Å; S251-L274 WeakPolarHBondContact O-CD1 3.45Å; S251-Y416 WeakPolarHBondContact O-CD1 3.48Å; S251-G447 VanDerWaalsContact OG-CA 3.26Å; S251-G447 WeakPolarHBondContact OG-CA 3.48Å; S251-G448 PolarHBondContact OG-N 3.32Å; S251-G448 PolarHBondContact OG-O 3.23Å |
| 252 | S | 98.6 | Very high | 98.6 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -92.6 | -3.5 | 170 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | N249 N250 | N249-S252 WeakPolarHBondContact O-CB 3.32Å; N249-S252 PolarHBondContact O-N 2.92Å; N249-S252 PolarHBondContact O-OG 2.76Å; N250-S252 PolarHBondContact O-N 3.4Å; N250-S252 VanDerWaalsContact O-N 3.1Å |
| 253 | V | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 35.9 Ų | 35.9 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -99.1 | 103.7 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | N250 H255 Y256 | N250-V253 WeakPolarHBondContact O-CB 3.5Å; N250-V253 PolarHBondContact O-N 2.8Å; V253-H255 PolarHBondContact O-N 3.48Å; V253-Y256 HydrophobicContact CB-CD2 4.49Å; V253-Y256 HydrophobicContact CG1-CD2 4.47Å; V253-Y256 WeakPolarHBondContact O-CB 3.33Å; V253-Y256 PolarHBondContact O-N 3.41Å; V253-Y256 VanDerWaalsContact O-N 3.14Å |
| 254 | L | 98.4 | Very high | 98.6 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -45.3 | -163.6 | -57.7 | -178.4 | 0 | 0 | 0 | 114.6 | P365 H366 Y416 | L254-P365 HydrophobicContact CD1-CG 4.26Å; L254-H366 HydrophobicContact CD1-CB 3.9Å; L254-Y416 HydrophobicContact CD2-CD1 4.11Å; L254-Y416 HydrophobicContact CD2-CD2 4.12Å; L254-Y416 HydrophobicContact CD2-CE1 3.72Å; L254-Y416 HydrophobicContact CD2-CE2 3.8Å; L254-Y416 HydrophobicContact CD2-CG 4.29Å |
| 255 | H | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 42.3 Ų | 42.3 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 51.1 | 175.7 | -63 | 172 | 0 | 0 | 0 | 110.9 | V253 H258 | V253-H255 PolarHBondContact O-N 3.48Å; H255-H258 PolarHBondContact O-CD2 3.2Å; H255-H258 VanDerWaalsContact O-CD2 3.3Å |
| 256 | Y | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 167.9 | 169.9 | -176.8 | -105.2 | 0 | 0 | 0 | 111.6 | E219 I244 N250 V253 H258 A261 N263 D264 | E219-Y256 VanDerWaalsContact OE2-CE1 3.23Å; E219-Y256 WeakPolarHBondContact OE2-CE1 3.22Å; E219-Y256 PolarHBondContact OE2-OH 3.05Å; I244-Y256 WeakPolarHBondContact CG1-O 3.36Å; N250-Y256 HydrophobicContact CB-CD1 4.22Å; N250-Y256 HydrophobicContact CB-CD2 4.1Å; N250-Y256 HydrophobicContact CB-CE1 4.16Å; N250-Y256 HydrophobicContact CB-CE2 4.04Å; N250-Y256 HydrophobicContact CB-CG 4.22Å; N250-Y256 PolarHBondContact ND2-OH 2.76Å; V253-Y256 HydrophobicContact CB-CD2 4.49Å; V253-Y256 HydrophobicContact CG1-CD2 4.47Å; V253-Y256 WeakPolarHBondContact O-CB 3.33Å; V253-Y256 PolarHBondContact O-N 3.41Å; V253-Y256 VanDerWaalsContact O-N 3.14Å; Y256-H258 PolarHBondContact O-N 2.91Å; Y256-A261 HydrophobicContact CD2-CB 3.67Å; Y256-A261 HydrophobicContact CE2-CB 3.54Å; Y256-A261 WeakPolarHBondContact CE2-O 3.13Å; Y256-N263 VanDerWaalsContact CD1-OD1 3.3Å; Y256-N263 WeakPolarHBondContact CD1-OD1 3.36Å; Y256-N263 HydrophobicContact CE1-CB 4.43Å; Y256-N263 WeakPolarHBondContact CE1-OD1 3.38Å; Y256-N263 PolarHBondContact OH-N 3.03Å; Y256-D264 PolarHBondContact OH-N 2.68Å |
| 257 | G | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -11.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T242 A261 N263 | T242-G257 WeakPolarHBondContact CG2-O 3.27Å; G257-A261 CarbonylContact C-O 3.58Å; G257-A261 WeakPolarHBondContact CA-O 3.4Å; G257-A261 PolarHBondContact N-O 3.47Å; G257-N263 VanDerWaalsContact CA-CG 3.47Å; G257-N263 WeakPolarHBondContact CA-OD1 3.41Å |
| 258 | H | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.458 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -64.2 | 167.7 | 170.1 | 72.6 | 96.6 | 0 | 0 | 0 | 112 | H255 Y256 G260 A261 P262 | H255-H258 PolarHBondContact O-CD2 3.2Å; H255-H258 VanDerWaalsContact O-CD2 3.3Å; Y256-H258 PolarHBondContact O-N 2.91Å; H258-G260 PolarHBondContact ND1-N 3.12Å; H258-G260 VanDerWaalsContact ND1-N 3.17Å; H258-G260 PolarHBondContact O-N 3.03Å; H258-A261 CarbonylContact O-C 3.58Å; H258-A261 WeakPolarHBondContact O-CA 3.16Å; H258-A261 PolarHBondContact O-N 2.85Å; H258-P262 WeakPolarHBondContact O-CA 3.33Å |
| 259 | A | 98.5 | Very high | 98.6 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 84% | 0.835 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 260 | G | 98.6 | Very high | 98.6 | Very high | 67 Ų | 67 | 51.6 Ų | 51.6 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -12.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H258 | H258-G260 PolarHBondContact ND1-N 3.12Å; H258-G260 VanDerWaalsContact ND1-N 3.17Å; H258-G260 PolarHBondContact O-N 3.03Å |
| 261 | A | 98.4 | Very high | 98.6 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -148.9 | 65.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y256 G257 H258 N263 | Y256-A261 HydrophobicContact CD2-CB 3.67Å; Y256-A261 HydrophobicContact CE2-CB 3.54Å; Y256-A261 WeakPolarHBondContact CE2-O 3.13Å; G257-A261 CarbonylContact C-O 3.58Å; G257-A261 WeakPolarHBondContact CA-O 3.4Å; G257-A261 PolarHBondContact N-O 3.47Å; H258-A261 CarbonylContact O-C 3.58Å; H258-A261 WeakPolarHBondContact O-CA 3.16Å; H258-A261 PolarHBondContact O-N 2.85Å; A261-N263 VanDerWaalsContact C-N 3.32Å; A261-N263 PolarHBondContact O-N 2.98Å |
| 262 | P | 98.6 | Very high | 98.6 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | trans | -90.4 | 48.7 | -150.2 | 37.8 | -38.7 | 0 | 0 | 0 | 113.9 | H258 D264 | H258-P262 WeakPolarHBondContact O-CA 3.33Å; P262-D264 VanDerWaalsContact C-N 3.29Å; P262-D264 HydrophobicContact CG-CB 4.3Å; P262-D264 PolarHBondContact O-N 3.39Å | ||
| 263 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 54.5 | 41 | -179.6 | -60.5 | -40.2 | 0 | 0 | 0 | 113.3 | E219 Y220 E223 C243 C245 Y256 G257 A261 | E219-N263 HydrophobicContact CB-CB 3.93Å; E219-N263 WeakPolarHBondContact CB-O 3.31Å; Y220-N263 WeakPolarHBondContact CB-O 3.41Å; Y220-N263 WeakPolarHBondContact CD1-O 3.39Å; Y220-N263 PolarHBondContact N-O 3.42Å; E223-N263 PolarHBondContact OE2-ND2 2.86Å; C243-N263 PolarHBondContact O-ND2 2.82Å; C245-N263 HydrophobicContact CB-CB 4.33Å; C245-N263 PolarHBondContact N-OD1 3.39Å; Y256-N263 VanDerWaalsContact CD1-OD1 3.3Å; Y256-N263 WeakPolarHBondContact CD1-OD1 3.36Å; Y256-N263 HydrophobicContact CE1-CB 4.43Å; Y256-N263 WeakPolarHBondContact CE1-OD1 3.38Å; Y256-N263 PolarHBondContact OH-N 3.03Å; G257-N263 VanDerWaalsContact CA-CG 3.47Å; G257-N263 WeakPolarHBondContact CA-OD1 3.41Å; A261-N263 VanDerWaalsContact C-N 3.32Å; A261-N263 PolarHBondContact O-N 2.98Å |
| 264 | D | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 47 Ų | 47 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | trans | -104.2 | 1.3 | -172 | 71.7 | -19.3 | 0 | 0 | 0 | 114.5 | K218 Y256 P262 | K218-D264 WeakPolarHBondContact CD-O 3.37Å; K218-D264 WeakPolarHBondContact CE-O 3.49Å; K218-D264 PolarHBondContact NZ-O 2.72Å; Y256-D264 PolarHBondContact OH-N 2.68Å; P262-D264 VanDerWaalsContact C-N 3.29Å; P262-D264 HydrophobicContact CG-CB 4.3Å; P262-D264 PolarHBondContact O-N 3.39Å | ||
| 265 | K | 98.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 144.8 | 178.1 | -178.7 | 176.7 | 166.5 | -96.2 | 0 | 110.2 | K218 E219 T247 N250 D271 | K218-K265 WeakPolarHBondContact CA-O 3.28Å; K218-K265 WeakPolarHBondContact CD-O 3.45Å; E219-K265 HydrophobicContact CG-CB 4.4Å; E219-K265 PolarHBondContact N-O 3.27Å; E219-K265 VanDerWaalsContact N-O 3.11Å; E219-K265 VanDerWaalsContact OE2-CB 3.26Å; E219-K265 WeakPolarHBondContact OE2-CB 3.39Å; E219-K265 PolarHBondContact OE2-N 2.98Å; E219-K265 VanDerWaalsContact OE2-N 3.1Å; T247-K265 VanDerWaalsContact C-NZ 3.27Å; T247-K265 PolarHBondContact O-NZ 3.5Å; T247-K265 PolarHBondContact OG1-NZ 3.12Å; N250-K265 WeakPolarHBondContact ND2-CB 3.48Å; N250-K265 WeakPolarHBondContact ND2-CD 3.24Å; K265-D271 IonicContact NZ-OD1 3.42Å; K265-D271 IonicContact NZ-OD2 2.79Å; K265-D271 PolarHBondContact NZ-OD2 3.22Å |
| 266 | T | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 26% | 0.264 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -79.7 | 124.6 | 168.2 | -58.1 | 0 | 0 | 0 | 0 | 109 | K217 K218 Q268 | K217-T266 CarbonylContact O-C 3.43Å; K217-T266 WeakPolarHBondContact O-CA 3.34Å; K218-T266 VanDerWaalsContact CE-OG1 3.28Å; K218-T266 WeakPolarHBondContact CE-OG1 3.38Å; K218-T266 PolarHBondContact NZ-OG1 3.47Å; T266-Q268 PolarHBondContact O-N 3.2Å; T266-Q268 PolarHBondContact O-NE2 3.38Å |
| 267 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 123.4 | 175.5 | -51.8 | -175.2 | 0 | 0 | 0 | 108.6 | V213 P215 G216 K217 E219 M222 T247 F275 A294 | V213-I267 HydrophobicContact CG2-CD1 3.69Å; P215-I267 CarbonylContact C-O 3.47Å; P215-I267 WeakPolarHBondContact CA-O 3.36Å; G216-I267 PolarHBondContact N-O 3.45Å; K217-I267 HydrophobicContact CB-CD1 4.35Å; K217-I267 WeakPolarHBondContact O-CG1 3.48Å; K217-I267 PolarHBondContact O-N 2.89Å; E219-I267 HydrophobicContact CG-CG1 4.23Å; M222-I267 HydrophobicContact CG-CD1 4.2Å; T247-I267 HydrophobicContact CG2-CD1 4.24Å; T247-I267 HydrophobicContact CG2-CG1 3.91Å; T247-I267 HydrophobicContact CG2-CG2 4.27Å; I267-F275 HydrophobicContact CD1-CZ 4.24Å; I267-A294 HydrophobicContact CG2-CB 3.51Å |
| 268 | Q | 98.7 | Very high | 98.7 | Very high | 97 Ų | 97 | 39 Ų | 39 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -102.3 | 159.3 | -179.1 | -57.4 | -57.3 | -47.1 | 0 | 0 | 111.9 | T266 D271 | T266-Q268 PolarHBondContact O-N 3.2Å; T266-Q268 PolarHBondContact O-NE2 3.38Å; Q268-D271 WeakPolarHBondContact CB-OD2 3.16Å; Q268-D271 PolarHBondContact N-OD2 3.02Å; Q268-D271 WeakPolarHBondContact O-CB 3.16Å; Q268-D271 PolarHBondContact O-N 3.08Å |
| 269 | D | 98.5 | Very high | 98.7 | Very high | 113 Ų | 113 | 34.3 Ų | 34.3 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 136.5 | 167.7 | -176.4 | 50.1 | 0 | 0 | 0 | 110.1 | P215 D271 N295 | P215-D269 HydrophobicContact CB-CB 4.28Å; P215-D269 HydrophobicContact CG-CB 4.08Å; D269-D271 VanDerWaalsContact C-N 3.29Å; D269-D271 PolarHBondContact O-N 3.28Å; D269-N295 WeakPolarHBondContact OD1-CB 3.38Å; D269-N295 PolarHBondContact OD1-ND2 2.88Å |
| 270 | G | 97.4 | Very high | 98.7 | Very high | 35 Ų | 35 | 30 Ų | 30 | 36% | 0.361 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -5.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q302 | G270-Q302 PolarHBondContact O-NE2 3.24Š|
| 271 | D | 98.6 | Very high | 98.7 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 143 | 172.5 | -82.7 | -22.2 | 0 | 0 | 0 | 111 | G248 K265 Q268 D269 A294 | G248-D271 VanDerWaalsContact CA-OD1 3.31Å; G248-D271 WeakPolarHBondContact CA-OD1 3Å; K265-D271 IonicContact NZ-OD1 3.42Å; K265-D271 IonicContact NZ-OD2 2.79Å; K265-D271 PolarHBondContact NZ-OD2 3.22Å; Q268-D271 WeakPolarHBondContact CB-OD2 3.16Å; Q268-D271 PolarHBondContact N-OD2 3.02Å; Q268-D271 WeakPolarHBondContact O-CB 3.16Å; Q268-D271 PolarHBondContact O-N 3.08Å; D269-D271 VanDerWaalsContact C-N 3.29Å; D269-D271 PolarHBondContact O-N 3.28Å; D271-A294 HydrophobicContact CB-CB 4.04Å; D271-A294 WeakPolarHBondContact O-CB 3.38Å; D271-A294 PolarHBondContact O-N 3.14Å |
| 272 | M | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.9 | 153.9 | -77.9 | -58.8 | -61.8 | 0 | 0 | 109.3 | T247 G248 P293 F298 Q302 F446 V449 | T247-M272 CarbonylContact C-O 3.58Å; T247-M272 WeakPolarHBondContact CA-O 3.39Å; G248-M272 PolarHBondContact N-O 3.33Å; M272-P293 HydrophobicContact SD-CB 4.46Å; M272-F298 HydrophobicContact CE-CE1 4.15Å; M272-F298 HydrophobicContact SD-CE1 4.44Å; M272-Q302 HydrophobicContact CG-CB 4.49Å; M272-Q302 HydrophobicContact CG-CG 3.75Å; M272-Q302 HydrophobicContact SD-CB 3.82Å; M272-Q302 VanDerWaalsContact SD-CD 3.59Å; M272-Q302 HydrophobicContact SD-CG 3.57Å; M272-Q302 VanDerWaalsContact SD-CG 3.57Å; M272-F446 HydrophobicContact CG-CE1 4.13Å; M272-F446 HydrophobicContact CG-CE2 4.36Å; M272-F446 HydrophobicContact CG-CZ 3.82Å; M272-V449 HydrophobicContact CE-CG2 3.97Å |
| 273 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.9 | 164.7 | -61.2 | 0 | 0 | 0 | 0 | 108.5 | T247 F275 S291 F292 | T247-C273 HydrophobicContact CG2-CB 4.25Å; T247-C273 VanDerWaalsContact CG2-SG 3.6Å; C273-F275 HydrophobicContact CB-CD1 4.15Å; C273-F275 HydrophobicContact CB-CE1 3.94Å; C273-F275 HydrophobicContact CB-CZ 4.23Å; C273-S291 CarbonylContact O-C 3.5Å; C273-S291 WeakPolarHBondContact O-CA 3.36Å; C273-F292 HydrophobicContact CB-CD2 3.8Å; C273-F292 HydrophobicContact CB-CE1 4.45Å; C273-F292 HydrophobicContact CB-CE2 3.4Å; C273-F292 VanDerWaalsContact CB-CE2 3.4Å; C273-F292 HydrophobicContact CB-CG 4.45Å; C273-F292 HydrophobicContact CB-CZ 3.79Å; C273-F292 WeakPolarHBondContact CB-O 3.4Å; C273-F292 PolarHBondContact N-O 2.93Å; C273-F292 PolarHBondContact O-N 3.46Å |
| 274 | L | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 103.1 | 166.1 | -176.7 | 167.5 | 0 | 0 | 0 | 106.3 | G246 S251 D276 T289 Y416 R450 | G246-L274 PolarHBondContact N-O 3.45Å; G246-L274 VanDerWaalsContact N-O 3.09Å; G246-L274 PolarHBondContact O-N 3.48Å; S251-L274 VanDerWaalsContact CB-CB 3.45Å; S251-L274 WeakPolarHBondContact O-CD1 3.45Å; L274-D276 HydrophobicContact CD2-CB 4.2Å; L274-T289 HydrophobicContact CD2-CG2 3.58Å; L274-T289 HydrophobicContact CG-CG2 3.9Å; L274-Y416 HydrophobicContact CD1-CE1 3.84Å; L274-R450 HydrophobicContact CD1-CB 3.75Å; L274-R450 HydrophobicContact CG-CB 4.22Å |
| 275 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 111.7 | -175.7 | -74.4 | 3.4 | 0 | 0 | 0 | 109.6 | H206 V209 V213 M222 I244 C245 T247 I267 C273 M277 T289 C290 F292 | H206-F275 PolarHBondContact CE1-O 2.94Å; V209-F275 HydrophobicContact CG1-CD2 3.42Å; V209-F275 VanDerWaalsContact CG1-CD2 3.42Å; V209-F275 HydrophobicContact CG1-CE2 3.48Å; V209-F275 VanDerWaalsContact CG1-CE2 3.48Å; V213-F275 HydrophobicContact CG2-CE2 4.29Å; V213-F275 HydrophobicContact CG2-CZ 4.34Å; M222-F275 HydrophobicContact CB-CD2 4.3Å; M222-F275 HydrophobicContact CB-CE2 3.49Å; M222-F275 VanDerWaalsContact CB-CE2 3.49Å; M222-F275 HydrophobicContact CB-CZ 3.93Å; M222-F275 HydrophobicContact CG-CE2 3.61Å; M222-F275 HydrophobicContact CG-CZ 3.87Å; I244-F275 WeakPolarHBondContact O-CA 3.35Å; C245-F275 HydrophobicContact CB-CD1 4.01Å; C245-F275 HydrophobicContact CB-CE1 3.87Å; C245-F275 HydrophobicContact CB-CZ 4.39Å; T247-F275 HydrophobicContact CG2-CE1 3.73Å; T247-F275 HydrophobicContact CG2-CZ 4.2Å; I267-F275 HydrophobicContact CD1-CZ 4.24Å; C273-F275 HydrophobicContact CB-CD1 4.15Å; C273-F275 HydrophobicContact CB-CE1 3.94Å; C273-F275 HydrophobicContact CB-CZ 4.23Å; F275-M277 HydrophobicContact CB-CE 4.02Å; F275-M277 HydrophobicContact CD2-CE 4.27Å; F275-M277 HydrophobicContact CG-CE 4.5Å; F275-T289 CarbonylContact O-C 3.51Å; F275-T289 WeakPolarHBondContact O-CA 3.36Å; F275-C290 PolarHBondContact N-O 3.5Å; F275-C290 PolarHBondContact O-N 3.22Å; F275-F292 HydrophobicContact CB-CE1 4.49Å; F275-F292 HydrophobicContact CD2-CE1 4.19Å; F275-F292 AromaticContact CD2-CZ 3.6Å; F275-F292 HydrophobicContact CD2-CZ 3.6Å; F275-F292 AromaticContact CE2-CZ 3.85Å; F275-F292 HydrophobicContact CE2-CZ 3.85Å; F275-F292 HydrophobicContact CG-CE1 4.47Å; F275-F292 HydrophobicContact CG-CZ 4.15Å |
| 276 | D | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.4 | -177.5 | 173.2 | -3 | 0 | 0 | 0 | 107.8 | Y241 I244 L274 T289 R450 | Y241-D276 VanDerWaalsContact CE2-OD1 3.27Å; Y241-D276 WeakPolarHBondContact CE2-OD1 3.13Å; Y241-D276 PolarHBondContact OH-OD1 3.36Å; I244-D276 HydrophobicContact CB-CB 3.98Å; I244-D276 HydrophobicContact CD1-CB 4.27Å; I244-D276 HydrophobicContact CG2-CB 4.47Å; I244-D276 PolarHBondContact N-O 3.08Å; I244-D276 PolarHBondContact O-N 3.17Å; L274-D276 HydrophobicContact CD2-CB 4.2Å; D276-T289 HydrophobicContact CB-CG2 3.88Å; D276-T289 WeakPolarHBondContact CB-OG1 3.27Å; D276-T289 PolarHBondContact OD1-OG1 2.88Å; D276-T289 PolarHBondContact OD2-OG1 2.98Å; D276-R450 IonicContact OD2-CZ 3.03Å; D276-R450 IonicContact OD2-NE 3.61Å; D276-R450 IonicContact OD2-NH2 3.63Å; D276-R450 PolarHBondContact OD2-NH2 3Å |
| 277 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -151.1 | 135 | -170.9 | -55.6 | -178.6 | -69.1 | 0 | 0 | 111.9 | H206 V209 F226 Y241 C243 F275 I288 | H206-M277 PolarHBondContact NE2-O 3.45Å; V209-M277 HydrophobicContact CG1-CE 4.45Å; V209-M277 HydrophobicContact CG2-CE 4.13Å; F226-M277 HydrophobicContact CB-CE 3.83Å; F226-M277 HydrophobicContact CB-SD 3.66Å; F226-M277 HydrophobicContact CD1-CB 3.82Å; F226-M277 HydrophobicContact CD1-SD 4.14Å; F226-M277 HydrophobicContact CD2-CB 3.95Å; F226-M277 HydrophobicContact CD2-CE 3.56Å; F226-M277 HydrophobicContact CD2-SD 4.09Å; F226-M277 HydrophobicContact CE1-CB 3.64Å; F226-M277 HydrophobicContact CE2-CB 3.75Å; F226-M277 HydrophobicContact CE2-CE 4.28Å; F226-M277 HydrophobicContact CG-CB 3.98Å; F226-M277 HydrophobicContact CG-CE 3.77Å; F226-M277 HydrophobicContact CG-CG 4.47Å; F226-M277 HydrophobicContact CG-SD 3.7Å; F226-M277 HydrophobicContact CZ-CB 3.6Å; F226-M277 WeakPolarHBondContact CZ-O 3.43Å; Y241-M277 WeakPolarHBondContact OH-CA 2.98Å; Y241-M277 PolarHBondContact OH-N 3.2Å; C243-M277 HydrophobicContact CB-CB 4.5Å; C243-M277 HydrophobicContact CB-CG 3.72Å; C243-M277 HydrophobicContact CB-SD 4.02Å; F275-M277 HydrophobicContact CB-CE 4.02Å; F275-M277 HydrophobicContact CD2-CE 4.27Å; F275-M277 HydrophobicContact CG-CE 4.5Å; M277-I288 PolarHBondContact N-O 3.04Å | ||
| 278 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -142.7 | 132.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T239 S240 Y241 S286 | T239-G278 WeakPolarHBondContact CA-O 3.4Å; T239-G278 WeakPolarHBondContact CB-O 3.48Å; S240-G278 PolarHBondContact N-O 2.92Å; Y241-G278 PolarHBondContact OH-N 2.98Å; Y241-G278 VanDerWaalsContact OH-N 3.12Å; G278-S286 VanDerWaalsContact CA-O 3.29Å; G278-S286 WeakPolarHBondContact CA-O 3.48Å | ||
| 279 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 154.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S202 S240 S286 | S202-G279 PolarHBondContact OG-N 2.83Å; S240-G279 PolarHBondContact OG-O 3.5Å; G279-S286 PolarHBondContact N-OG 3.07Å; G279-S286 PolarHBondContact O-N 2.51Å; G279-S286 PolarHBondContact O-OG 2.88Å |
| 280 | E | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 6.2 Ų | 6.2 | 5% | 0.051 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.8 | 175.7 | -170.8 | -168.9 | 85.2 | 0 | 0 | 110.1 | R66 M236 H238 C283 Y284 | R66-E280 IonicContact CZ-OE2 3.79Å; R66-E280 IonicContact NE-OE1 2.78Å; R66-E280 PolarHBondContact NE-OE1 3.38Å; R66-E280 IonicContact NE-OE2 2.83Å; R66-E280 PolarHBondContact NE-OE2 2.78Å; R66-E280 IonicContact NH2-OE2 3.96Å; R66-E280 PolarHBondContact NH2-OE2 3.2Å; M236-E280 WeakPolarHBondContact CA-O 3.34Å; M236-E280 VanDerWaalsContact CB-O 3.28Å; M236-E280 WeakPolarHBondContact CB-O 3.46Å; M236-E280 WeakPolarHBondContact CG-O 3.28Å; H238-E280 HydrophobicContact CB-CB 4.2Å; H238-E280 IonicContact ND1-OE1 3.32Å; H238-E280 PolarHBondContact O-N 3.5Å; E280-C283 VanDerWaalsContact CD-CA 3.43Å; E280-C283 WeakPolarHBondContact OE1-CA 3.17Å; E280-Y284 CarbonylContact C-O 3.6Å; E280-Y284 VanDerWaalsContact CA-O 3.31Å; E280-Y284 WeakPolarHBondContact CA-O 3.03Å; E280-Y284 WeakPolarHBondContact CG-O 3.27Å |
| 281 | Y | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.023 | C | C | . | . | B | Isolated β-bridge | trans | -114.1 | 118 | 172.8 | -171.7 | -103.5 | 0 | 0 | 0 | 110.2 | Y9 L11 T15 L16 V18 V194 Y197 G234 M236 C283 Y284 | Y9-Y281 HydrophobicContact CD1-CE1 4.14Å; Y9-Y281 AromaticContact CE1-CE1 3.97Å; Y9-Y281 HydrophobicContact CE1-CE1 3.97Å; Y9-Y281 HydrophobicContact CE1-CE2 4.15Å; Y9-Y281 AromaticContact CE1-CZ 3.67Å; L11-Y281 HydrophobicContact CD1-CE2 4.01Å; T15-Y281 WeakPolarHBondContact CB-OH 3.29Å; T15-Y281 PolarHBondContact OG1-OH 3.45Å; L16-Y281 HydrophobicContact CB-CE1 3.89Å; L16-Y281 PolarHBondContact O-OH 2.89Å; V18-Y281 HydrophobicContact CG2-CD1 4.45Å; V18-Y281 HydrophobicContact CG2-CE1 3.92Å; V194-Y281 HydrophobicContact CG1-CD1 4.17Å; Y197-Y281 AromaticContact CD1-CD1 3.95Å; Y197-Y281 HydrophobicContact CD1-CD1 3.95Å; Y197-Y281 HydrophobicContact CD1-CD2 4.44Å; Y197-Y281 HydrophobicContact CD1-CE1 4.48Å; Y197-Y281 AromaticContact CD1-CG 3.91Å; Y197-Y281 HydrophobicContact CD1-CG 3.91Å; Y197-Y281 AromaticContact CE1-CD1 3.9Å; Y197-Y281 HydrophobicContact CE1-CD1 3.9Å; Y197-Y281 AromaticContact CE1-CD2 3.66Å; Y197-Y281 HydrophobicContact CE1-CD2 3.66Å; Y197-Y281 HydrophobicContact CE1-CE1 4.25Å; Y197-Y281 HydrophobicContact CE1-CE2 4.03Å; Y197-Y281 AromaticContact CE1-CG 3.58Å; Y197-Y281 HydrophobicContact CE1-CG 3.58Å; G234-Y281 VanDerWaalsContact O-CD2 3.24Å; G234-Y281 WeakPolarHBondContact O-CD2 3.41Å; G234-Y281 WeakPolarHBondContact O-CE2 3.41Å; M236-Y281 HydrophobicContact CG-CD2 4.33Å; Y281-C283 VanDerWaalsContact C-N 3.27Å; Y281-C283 PolarHBondContact O-N 3.09Å; Y281-Y284 PolarHBondContact N-O 3.06Å; Y281-Y284 PolarHBondContact O-N 3.39Å |
| 282 | Y | 98.8 | Very high | 98.9 | Very high | 21 Ų | 21 | 3.3 Ų | 3.3 | 8% | 0.082 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 49.4 | -179.1 | -164.9 | -162.6 | 0 | 0 | 0 | 112.2 | Y9 V18 F23 H72 G76 T78 Y284 | Y9-Y282 AromaticContact CD1-CD1 3.5Å; Y9-Y282 HydrophobicContact CD1-CD1 3.5Å; Y9-Y282 HydrophobicContact CD1-CD2 4.3Å; Y9-Y282 AromaticContact CD1-CE1 3.97Å; Y9-Y282 HydrophobicContact CD1-CE1 3.97Å; Y9-Y282 AromaticContact CD1-CG 3.67Å; Y9-Y282 HydrophobicContact CD1-CG 3.67Å; Y9-Y282 HydrophobicContact CD2-CD1 4.2Å; Y9-Y282 AromaticContact CD2-CD2 3.97Å; Y9-Y282 HydrophobicContact CD2-CD2 3.97Å; Y9-Y282 HydrophobicContact CD2-CE1 4.03Å; Y9-Y282 AromaticContact CD2-CE2 3.78Å; Y9-Y282 HydrophobicContact CD2-CE2 3.78Å; Y9-Y282 HydrophobicContact CD2-CG 4.16Å; Y9-Y282 AromaticContact CD2-CZ 3.79Å; Y9-Y282 HydrophobicContact CE1-CD1 4.13Å; Y9-Y282 HydrophobicContact CE1-CD2 4.3Å; Y9-Y282 AromaticContact CE1-CG 3.81Å; Y9-Y282 HydrophobicContact CE1-CG 3.81Å; Y9-Y282 AromaticContact CE2-CD2 3.97Å; Y9-Y282 HydrophobicContact CE2-CD2 3.97Å; Y9-Y282 HydrophobicContact CE2-CE2 4.13Å; Y9-Y282 HydrophobicContact CE2-CG 4.28Å; Y9-Y282 AromaticContact CG-CD1 3.54Å; Y9-Y282 HydrophobicContact CG-CD1 3.54Å; Y9-Y282 HydrophobicContact CG-CD2 4.13Å; Y9-Y282 AromaticContact CG-CE1 3.49Å; Y9-Y282 HydrophobicContact CG-CE1 3.49Å; Y9-Y282 VanDerWaalsContact CG-CE1 3.49Å; Y9-Y282 HydrophobicContact CG-CE2 4.09Å; Y9-Y282 AromaticContact CG-CG 3.85Å; Y9-Y282 HydrophobicContact CG-CG 3.85Å; Y9-Y282 AromaticContact CG-CZ 3.75Å; V18-Y282 HydrophobicContact CB-CD1 3.93Å; V18-Y282 HydrophobicContact CB-CE1 4.15Å; V18-Y282 HydrophobicContact CG1-CD1 3.97Å; V18-Y282 HydrophobicContact CG1-CE1 4.07Å; V18-Y282 HydrophobicContact CG2-CD1 4.16Å; F23-Y282 AromaticContact CE2-CE1 3.66Å; F23-Y282 HydrophobicContact CE2-CE1 3.66Å; F23-Y282 AromaticContact CE2-CZ 3.86Å; F23-Y282 HydrophobicContact CZ-CD1 4.22Å; F23-Y282 AromaticContact CZ-CE1 3.53Å; F23-Y282 HydrophobicContact CZ-CE1 3.53Å; F23-Y282 AromaticContact CZ-CZ 3.75Å; H72-Y282 AromaticContact CE1-CD2 3.55Å; H72-Y282 AromaticContact CE1-CE2 3.64Å; H72-Y282 PolarHBondContact CE1-O 3.23Å; H72-Y282 PolarHBondContact NE2-O 3.04Å; G76-Y282 WeakPolarHBondContact O-CE2 3.45Å; G76-Y282 PolarHBondContact O-OH 2.97Å; T78-Y282 HydrophobicContact CG2-CD2 4.33Å; T78-Y282 HydrophobicContact CG2-CE2 3.75Å; Y282-Y284 WeakPolarHBondContact O-CD2 3.32Å; Y282-Y284 PolarHBondContact O-N 3.46Å; Y282-Y284 VanDerWaalsContact O-N 3.16Å |
| 283 | C | 98.9 | Very high | 98.9 | Very high | 12 Ų | 12 | 3.2 Ų | 3.2 | 8% | 0.081 | 2% | 0.016 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -2.7 | -175.3 | -55.4 | 0 | 0 | 0 | 0 | 116.8 | R66 H72 E280 Y281 I374 | R66-C283 PolarHBondContact NH2-O 3.24Å; H72-C283 HydrophobicContact CB-CB 4.44Å; E280-C283 VanDerWaalsContact CD-CA 3.43Å; E280-C283 WeakPolarHBondContact OE1-CA 3.17Å; Y281-C283 VanDerWaalsContact C-N 3.27Å; Y281-C283 PolarHBondContact O-N 3.09Å; C283-I374 HydrophobicContact CB-CG2 4.21Å; C283-I374 CarbonylContact O-C 3.28Å; C283-I374 VanDerWaalsContact O-CA 3.24Å; C283-I374 WeakPolarHBondContact O-CA 3.39Å; C283-I374 WeakPolarHBondContact O-CG2 3.47Å |
| 284 | Y | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 3.2 Ų | 3.2 | 0% | 0.004 | 2% | 0.016 | C | C | . | . | B | Isolated β-bridge | trans | -87.7 | 133.8 | 172.1 | -73.5 | -94.6 | 0 | 0 | 0 | 110.6 | L22 H72 E191 V194 L195 T198 E280 Y281 Y282 I374 | L22-Y284 WeakPolarHBondContact CD2-OH 3.37Å; H72-Y284 AromaticContact NE2-CD2 3.96Å; H72-Y284 AromaticContact NE2-CE2 3.46Å; H72-Y284 WeakPolarHBondContact NE2-CE2 3.34Å; E191-Y284 HydrophobicContact CB-CE1 4.06Å; E191-Y284 HydrophobicContact CG-CE1 3.9Å; E191-Y284 PolarHBondContact OE1-OH 3.46Å; E191-Y284 VanDerWaalsContact OE1-OH 3.13Å; V194-Y284 HydrophobicContact CB-CD1 4.43Å; V194-Y284 HydrophobicContact CB-CD2 4.2Å; V194-Y284 HydrophobicContact CB-CG 4.01Å; V194-Y284 HydrophobicContact CG1-CD2 3.79Å; V194-Y284 HydrophobicContact CG1-CG 3.72Å; V194-Y284 HydrophobicContact CG2-CD2 4.43Å; L195-Y284 HydrophobicContact CD2-CD1 4.15Å; L195-Y284 HydrophobicContact CG-CD1 4.28Å; T198-Y284 VanDerWaalsContact CG2-O 3.31Å; T198-Y284 WeakPolarHBondContact CG2-O 3.41Å; E280-Y284 CarbonylContact C-O 3.6Å; E280-Y284 VanDerWaalsContact CA-O 3.31Å; E280-Y284 WeakPolarHBondContact CA-O 3.03Å; E280-Y284 WeakPolarHBondContact CG-O 3.27Å; Y281-Y284 PolarHBondContact N-O 3.06Å; Y281-Y284 PolarHBondContact O-N 3.39Å; Y282-Y284 WeakPolarHBondContact O-CD2 3.32Å; Y282-Y284 PolarHBondContact O-N 3.46Å; Y282-Y284 VanDerWaalsContact O-N 3.16Å; Y284-I374 HydrophobicContact CD1-CG1 4.13Å; Y284-I374 HydrophobicContact CE1-CD1 4.45Å; Y284-I374 HydrophobicContact CE1-CG1 3.81Å; Y284-I374 HydrophobicContact CE2-CG1 4.33Å |
| 285 | S | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.007 | 3% | 0.031 | C | C | . | . | trans | -92.9 | 166.1 | -171.5 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | L195 T198 S240 G373 I374 | L195-S285 VanDerWaalsContact CD2-O 3.28Å; L195-S285 WeakPolarHBondContact CD2-O 3.35Å; T198-S285 PolarHBondContact OG1-O 3.39Å; S240-S285 WeakPolarHBondContact CB-OG 3.35Å; S240-S285 WeakPolarHBondContact OG-CA 3.22Å; S240-S285 WeakPolarHBondContact OG-CB 3.3Å; S240-S285 PolarHBondContact OG-OG 2.63Å; S285-G373 WeakPolarHBondContact CB-O 3.07Å; S285-G373 PolarHBondContact N-O 2.91Å; S285-I374 PolarHBondContact OG-O 2.96Å | ||
| 286 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -138.4 | 154.4 | 160 | 48.6 | 0 | 0 | 0 | 0 | 108.2 | S202 S240 G278 G279 | S202-S286 PolarHBondContact OG-OG 3.09Å; S240-S286 PolarHBondContact OG-N 2.79Å; G278-S286 VanDerWaalsContact CA-O 3.29Å; G278-S286 WeakPolarHBondContact CA-O 3.48Å; G279-S286 PolarHBondContact N-OG 3.07Å; G279-S286 PolarHBondContact O-N 2.51Å; G279-S286 PolarHBondContact O-OG 2.88Å | ||
| 287 | D | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 3% | 0.032 | 6% | 0.056 | C | C | . | . | trans | -141.7 | 113.1 | 180 | -157.2 | -11.8 | 0 | 0 | 0 | 110 | Y241 H370 L372 V376 T410 D454 | Y241-D287 HydrophobicContact CE1-CB 4.45Å; Y241-D287 WeakPolarHBondContact CE1-OD1 3.48Å; Y241-D287 VanDerWaalsContact CZ-OD1 3.24Å; Y241-D287 PolarHBondContact OH-OD1 2.65Å; D287-H370 IonicContact OD2-CE1 3.29Å; D287-H370 PolarHBondContact OD2-CE1 2.86Å; D287-H370 IonicContact OD2-NE2 2.73Å; D287-H370 PolarHBondContact OD2-NE2 2.92Å; D287-L372 HydrophobicContact CB-CD1 4.36Å; D287-V376 HydrophobicContact CB-CG2 4.01Å; D287-V376 WeakPolarHBondContact OD2-CG2 3.26Å; D287-T410 HydrophobicContact CB-CG2 3.9Å; D287-D454 PolarHBondContact N-OD2 2.88Å; D287-D454 VanDerWaalsContact O-CG 3.29Å | ||
| 288 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -141.6 | 125 | -171.5 | -58.7 | 169.2 | 0 | 0 | 0 | 109 | H206 M277 T466 | H206-I288 PolarHBondContact CE1-O 3.31Å; H206-I288 PolarHBondContact NE2-O 2.9Å; M277-I288 PolarHBondContact N-O 3.04Å; I288-T466 HydrophobicContact CD1-CG2 3.84Å; I288-T466 HydrophobicContact CG1-CG2 3.9Å; I288-T466 HydrophobicContact CG2-CG2 3.86Å | ||
| 289 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.8 | 170.7 | -57 | 0 | 0 | 0 | 0 | 111.5 | L274 F275 D276 R450 E452 R470 | L274-T289 HydrophobicContact CD2-CG2 3.58Å; L274-T289 HydrophobicContact CG-CG2 3.9Å; F275-T289 CarbonylContact O-C 3.51Å; F275-T289 WeakPolarHBondContact O-CA 3.36Å; D276-T289 HydrophobicContact CB-CG2 3.88Å; D276-T289 WeakPolarHBondContact CB-OG1 3.27Å; D276-T289 PolarHBondContact OD1-OG1 2.88Å; D276-T289 PolarHBondContact OD2-OG1 2.98Å; T289-R450 HydrophobicContact CG2-CB 3.86Å; T289-R450 HydrophobicContact CG2-CG 4.02Å; T289-R450 PolarHBondContact OG1-NE 3.08Å; T289-R450 VanDerWaalsContact OG1-NE 3.14Å; T289-E452 PolarHBondContact O-N 2.97Å; T289-E452 PolarHBondContact OG1-OE2 3.1Å; T289-R470 PolarHBondContact O-NH1 2.88Å |
| 290 | C | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.8 | 170 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | F275 F292 | F275-C290 PolarHBondContact N-O 3.5Å; F275-C290 PolarHBondContact O-N 3.22Å; C290-F292 HydrophobicContact CB-CD1 4.1Å; C290-F292 HydrophobicContact CB-CE1 4.04Å |
| 291 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.3 | 170.9 | -62.4 | 0 | 0 | 0 | 0 | 111 | C273 Y306 R450 | C273-S291 CarbonylContact O-C 3.5Å; C273-S291 WeakPolarHBondContact O-CA 3.36Å; S291-Y306 WeakPolarHBondContact O-CE2 3.23Å; S291-R450 PolarHBondContact OG-N 3.23Å; S291-R450 PolarHBondContact OG-O 2.87Å |
| 292 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 158.4 | -177.1 | 50.8 | -95.6 | 0 | 0 | 0 | 111.5 | M210 V213 C273 F275 C290 I475 M479 | M210-F292 HydrophobicContact CG-CD1 3.59Å; M210-F292 HydrophobicContact CG-CD2 4.5Å; M210-F292 HydrophobicContact CG-CE1 3.51Å; M210-F292 HydrophobicContact CG-CE2 4.45Å; M210-F292 HydrophobicContact CG-CG 4.1Å; M210-F292 HydrophobicContact CG-CZ 3.97Å; M210-F292 HydrophobicContact SD-CD1 3.92Å; M210-F292 HydrophobicContact SD-CE1 4.32Å; M210-F292 HydrophobicContact SD-CG 4.49Å; V213-F292 HydrophobicContact CB-CE2 4.23Å; V213-F292 HydrophobicContact CG1-CD2 4.21Å; V213-F292 HydrophobicContact CG1-CE2 3.5Å; V213-F292 HydrophobicContact CG1-CZ 4.23Å; V213-F292 HydrophobicContact CG2-CE2 4.16Å; C273-F292 HydrophobicContact CB-CD2 3.8Å; C273-F292 HydrophobicContact CB-CE1 4.45Å; C273-F292 HydrophobicContact CB-CE2 3.4Å; C273-F292 VanDerWaalsContact CB-CE2 3.4Å; C273-F292 HydrophobicContact CB-CG 4.45Å; C273-F292 HydrophobicContact CB-CZ 3.79Å; C273-F292 WeakPolarHBondContact CB-O 3.4Å; C273-F292 PolarHBondContact N-O 2.93Å; C273-F292 PolarHBondContact O-N 3.46Å; F275-F292 HydrophobicContact CB-CE1 4.49Å; F275-F292 HydrophobicContact CD2-CE1 4.19Å; F275-F292 AromaticContact CD2-CZ 3.6Å; F275-F292 HydrophobicContact CD2-CZ 3.6Å; F275-F292 AromaticContact CE2-CZ 3.85Å; F275-F292 HydrophobicContact CE2-CZ 3.85Å; F275-F292 HydrophobicContact CG-CE1 4.47Å; F275-F292 HydrophobicContact CG-CZ 4.15Å; C290-F292 HydrophobicContact CB-CD1 4.1Å; C290-F292 HydrophobicContact CB-CE1 4.04Å; F292-I475 HydrophobicContact CB-CG2 3.65Å; F292-M479 HydrophobicContact CB-SD 4.01Å; F292-M479 HydrophobicContact CD2-CE 3.89Å; F292-M479 HydrophobicContact CD2-SD 3.91Å; F292-M479 HydrophobicContact CE2-CE 4.38Å; F292-M479 HydrophobicContact CG-SD 4.16Å |
| 293 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.6 | 176.2 | 30.1 | -36.9 | 0 | 0 | 0 | 110.6 | M272 N295 G296 K297 F298 M479 | M272-P293 HydrophobicContact SD-CB 4.46Å; P293-N295 PolarHBondContact O-N 3.3Å; P293-N295 VanDerWaalsContact O-N 3.08Å; P293-G296 PolarHBondContact O-N 3.2Å; P293-K297 WeakPolarHBondContact CB-O 3.11Å; P293-K297 VanDerWaalsContact CG-C 3.45Å; P293-F298 HydrophobicContact CG-CD1 4.35Å; P293-F298 HydrophobicContact CG-CD2 3.65Å; P293-F298 HydrophobicContact CG-CE2 3.87Å; P293-F298 HydrophobicContact CG-CG 3.94Å; P293-F298 HydrophobicContact CG-CZ 4.3Å; P293-M479 WeakPolarHBondContact O-CE 3.36Å |
| 294 | A | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I267 D271 | I267-A294 HydrophobicContact CG2-CB 3.51Å; D271-A294 HydrophobicContact CB-CB 4.04Å; D271-A294 WeakPolarHBondContact O-CB 3.38Å; D271-A294 PolarHBondContact O-N 3.14Å |
| 295 | N | 97.9 | Very high | 98.7 | Very high | 60 Ų | 60 | 25.3 Ų | 25.3 | 32% | 0.321 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.8 | 179.1 | 66 | 10.3 | 0 | 0 | 0 | 113.7 | P215 D269 P293 K297 | P215-N295 HydrophobicContact CG-CB 4.29Å; D269-N295 WeakPolarHBondContact OD1-CB 3.38Å; D269-N295 PolarHBondContact OD1-ND2 2.88Å; P293-N295 PolarHBondContact O-N 3.3Å; P293-N295 VanDerWaalsContact O-N 3.08Å; N295-K297 VanDerWaalsContact C-N 3.34Å; N295-K297 PolarHBondContact O-N 2.87Å; N295-K297 PolarHBondContact OD1-N 3.09Å; N295-K297 VanDerWaalsContact OD1-N 3.09Å; N295-K297 PolarHBondContact OD1-O 2.89Å; N295-K297 VanDerWaalsContact OD1-O 3.12Å |
| 296 | G | 98.1 | Very high | 98.7 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 78.2 | 8.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P293 E476 | P293-G296 PolarHBondContact O-N 3.2Å; G296-E476 WeakPolarHBondContact O-CG 3.39Å |
| 297 | K | 98.5 | Very high | 98.7 | Very high | 109 Ų | 109 | 28.8 Ų | 28.8 | 47% | 0.474 | 16% | 0.159 | S | C | . | . | trans | -133.7 | 123.6 | 176.7 | -68.6 | -60.1 | -177 | -164.3 | 0 | 112.5 | P293 N295 E476 | P293-K297 WeakPolarHBondContact CB-O 3.11Å; P293-K297 VanDerWaalsContact CG-C 3.45Å; N295-K297 VanDerWaalsContact C-N 3.34Å; N295-K297 PolarHBondContact O-N 2.87Å; N295-K297 PolarHBondContact OD1-N 3.09Å; N295-K297 VanDerWaalsContact OD1-N 3.09Å; N295-K297 PolarHBondContact OD1-O 2.89Å; N295-K297 VanDerWaalsContact OD1-O 3.12Å; K297-E476 VanDerWaalsContact CD-CD 3.5Å; K297-E476 HydrophobicContact CD-CG 4.23Å; K297-E476 VanDerWaalsContact CD-OE2 3.26Å; K297-E476 WeakPolarHBondContact CD-OE2 3.43Å; K297-E476 IonicContact NZ-OE2 2.64Å; K297-E476 PolarHBondContact NZ-OE2 3.21Å | ||
| 298 | F | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 10% | 0.101 | 16% | 0.158 | C | C | . | . | trans | -74.9 | 131.7 | 179.4 | -73 | -99.4 | 0 | 0 | 0 | 109.9 | M272 P293 Q302 R303 Y306 V472 I475 E476 | M272-F298 HydrophobicContact CE-CE1 4.15Å; M272-F298 HydrophobicContact SD-CE1 4.44Å; P293-F298 HydrophobicContact CG-CD1 4.35Å; P293-F298 HydrophobicContact CG-CD2 3.65Å; P293-F298 HydrophobicContact CG-CE2 3.87Å; P293-F298 HydrophobicContact CG-CG 3.94Å; P293-F298 HydrophobicContact CG-CZ 4.3Å; F298-Q302 HydrophobicContact CB-CB 4.44Å; F298-Q302 HydrophobicContact CD1-CB 3.95Å; F298-R303 HydrophobicContact CB-CB 4.12Å; F298-Y306 HydrophobicContact CD1-CG 4.49Å; F298-Y306 HydrophobicContact CE1-CD1 4.14Å; F298-Y306 AromaticContact CE1-CD2 3.72Å; F298-Y306 HydrophobicContact CE1-CD2 3.72Å; F298-Y306 HydrophobicContact CE1-CE2 4.42Å; F298-Y306 AromaticContact CE1-CG 3.57Å; F298-Y306 HydrophobicContact CE1-CG 3.57Å; F298-Y306 HydrophobicContact CZ-CD1 4.22Å; F298-Y306 AromaticContact CZ-CD2 4Å; F298-Y306 HydrophobicContact CZ-CD2 4Å; F298-Y306 HydrophobicContact CZ-CE1 4.46Å; F298-Y306 HydrophobicContact CZ-CE2 4.25Å; F298-Y306 AromaticContact CZ-CG 4Å; F298-Y306 HydrophobicContact CZ-CG 4Å; F298-V472 HydrophobicContact CB-CG1 4.37Å; F298-V472 HydrophobicContact CD2-CB 4.42Å; F298-V472 HydrophobicContact CD2-CG1 3.67Å; F298-V472 HydrophobicContact CD2-CG2 4.41Å; F298-V472 HydrophobicContact CE2-CB 4.45Å; F298-V472 HydrophobicContact CE2-CG1 4.14Å; F298-V472 HydrophobicContact CE2-CG2 4.37Å; F298-V472 HydrophobicContact CG-CG1 4.15Å; F298-I475 HydrophobicContact CE2-CB 4.11Å; F298-I475 HydrophobicContact CE2-CG2 3.79Å; F298-I475 HydrophobicContact CZ-CD1 4.18Å; F298-I475 HydrophobicContact CZ-CG2 4.22Å; F298-E476 HydrophobicContact CD2-CG 3.9Å; F298-E476 HydrophobicContact CE2-CG 4.36Å; F298-E476 PolarHBondContact N-OE1 3.15Å | ||
| 299 | T | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 28.5 Ų | 28.5 | 42% | 0.423 | 16% | 0.158 | S | C | . | . | trans | -71.6 | 167.6 | 162.2 | 70.3 | 0 | 0 | 0 | 0 | 110.5 | D301 Q302 R303 | T299-D301 VanDerWaalsContact C-N 3.34Å; T299-D301 PolarHBondContact O-N 2.93Å; T299-Q302 PolarHBondContact O-N 3.44Å; T299-Q302 WeakPolarHBondContact OG1-CB 3.12Å; T299-Q302 VanDerWaalsContact OG1-CG 3.24Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.32Å; T299-Q302 PolarHBondContact OG1-N 3Å; T299-Q302 PolarHBondContact OG1-OE1 2.91Å; T299-R303 WeakPolarHBondContact O-CB 3.5Å; T299-R303 PolarHBondContact O-N 2.88Å | ||
| 300 | A | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 69% | 0.694 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -59.3 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A304 | A300-A304 WeakPolarHBondContact O-CB 3.42Å; A300-A304 PolarHBondContact O-N 3.24Å |
| 301 | D | 98.6 | Very high | 98.7 | Very high | 44 Ų | 44 | 33.6 Ų | 33.6 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 177.5 | -77 | -25.9 | 0 | 0 | 0 | 111.1 | T299 A304 I305 R442 F443 | T299-D301 VanDerWaalsContact C-N 3.34Å; T299-D301 PolarHBondContact O-N 2.93Å; D301-A304 PolarHBondContact O-N 2.83Å; D301-I305 WeakPolarHBondContact O-CG1 3.26Å; D301-I305 PolarHBondContact O-N 3.37Å; D301-R442 IonicContact OD1-CZ 3.22Å; D301-R442 IonicContact OD1-NE 3.72Å; D301-R442 PolarHBondContact OD1-NE 3.3Å; D301-R442 IonicContact OD1-NH2 2.69Å; D301-R442 PolarHBondContact OD1-NH2 3.43Å; D301-R442 WeakPolarHBondContact OD2-CD 3.41Å; D301-R442 IonicContact OD2-CZ 3.6Å; D301-R442 IonicContact OD2-NE 3.56Å; D301-R442 PolarHBondContact OD2-NE 2.97Å; D301-R442 IonicContact OD2-NH2 3.88Å; D301-F443 HydrophobicContact CB-CE1 3.73Å; D301-F443 HydrophobicContact CB-CZ 3.86Å; D301-F443 WeakPolarHBondContact OD1-CZ 3.48Å |
| 302 | Q | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 176.2 | -71.2 | 170.4 | -22 | 0 | 0 | 112.1 | G270 M272 F298 T299 A304 I305 Y306 F446 | G270-Q302 PolarHBondContact O-NE2 3.24Å; M272-Q302 HydrophobicContact CG-CB 4.49Å; M272-Q302 HydrophobicContact CG-CG 3.75Å; M272-Q302 HydrophobicContact SD-CB 3.82Å; M272-Q302 VanDerWaalsContact SD-CD 3.59Å; M272-Q302 HydrophobicContact SD-CG 3.57Å; M272-Q302 VanDerWaalsContact SD-CG 3.57Å; F298-Q302 HydrophobicContact CB-CB 4.44Å; F298-Q302 HydrophobicContact CD1-CB 3.95Å; T299-Q302 PolarHBondContact O-N 3.44Å; T299-Q302 WeakPolarHBondContact OG1-CB 3.12Å; T299-Q302 VanDerWaalsContact OG1-CG 3.24Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.32Å; T299-Q302 PolarHBondContact OG1-N 3Å; T299-Q302 PolarHBondContact OG1-OE1 2.91Å; Q302-A304 VanDerWaalsContact C-N 3.34Å; Q302-A304 PolarHBondContact O-N 2.76Å; Q302-I305 PolarHBondContact O-N 2.96Å; Q302-Y306 WeakPolarHBondContact O-CB 3.48Å; Q302-Y306 PolarHBondContact O-N 2.69Å; Q302-F446 HydrophobicContact CB-CE2 4.27Å; Q302-F446 HydrophobicContact CB-CZ 4.41Å; Q302-F446 HydrophobicContact CG-CE2 3.7Å; Q302-F446 HydrophobicContact CG-CZ 4.09Å |
| 303 | R | 98.9 | Very high | 98.7 | Very high | 84 Ų | 84 | 33.6 Ų | 33.6 | 32% | 0.317 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 176.6 | 174.5 | 167.3 | -169.9 | 129.5 | 9.3 | 111.1 | F298 T299 I305 Y306 E307 V472 E473 | F298-R303 HydrophobicContact CB-CB 4.12Å; T299-R303 WeakPolarHBondContact O-CB 3.5Å; T299-R303 PolarHBondContact O-N 2.88Å; R303-I305 PolarHBondContact O-N 3.22Å; R303-Y306 PolarHBondContact O-N 2.96Å; R303-E307 HydrophobicContact CG-CG 4.2Å; R303-E307 WeakPolarHBondContact CG-OE2 3.25Å; R303-E307 IonicContact CZ-OE1 3.5Å; R303-E307 VanDerWaalsContact CZ-OE1 3.22Å; R303-E307 IonicContact NE-OE1 2.65Å; R303-E307 PolarHBondContact NE-OE1 2.76Å; R303-E307 IonicContact NE-OE2 3.53Å; R303-E307 PolarHBondContact NE-OE2 3.47Å; R303-E307 IonicContact NH2-OE1 3.38Å; R303-E307 PolarHBondContact NH2-OE1 2.93Å; R303-E307 WeakPolarHBondContact O-CB 3.36Å; R303-E307 WeakPolarHBondContact O-CG 3.05Å; R303-E307 PolarHBondContact O-N 2.87Å; R303-V472 HydrophobicContact CG-CG2 4.2Å; R303-E473 IonicContact CZ-OE1 3.97Å; R303-E473 IonicContact NH1-OE1 2.66Å; R303-E473 PolarHBondContact NH1-OE1 2.99Å; R303-E473 IonicContact NH2-OE1 3.21Å; R303-E473 PolarHBondContact NH2-OE1 3.43Å |
| 304 | A | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A300 D301 Q302 A308 V344 | A300-A304 WeakPolarHBondContact O-CB 3.42Å; A300-A304 PolarHBondContact O-N 3.24Å; D301-A304 PolarHBondContact O-N 2.83Å; Q302-A304 VanDerWaalsContact C-N 3.34Å; Q302-A304 PolarHBondContact O-N 2.76Å; A304-A308 WeakPolarHBondContact O-CB 3.26Å; A304-A308 PolarHBondContact O-N 2.93Å; A304-V344 HydrophobicContact CB-CG2 3.86Å |
| 305 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.5 | -40.3 | 176.9 | -59.3 | -56.8 | 0 | 0 | 0 | 111.1 | D301 Q302 R303 A308 V309 L341 I346 I415 F417 F443 F446 V449 | D301-I305 WeakPolarHBondContact O-CG1 3.26Å; D301-I305 PolarHBondContact O-N 3.37Å; Q302-I305 PolarHBondContact O-N 2.96Å; R303-I305 PolarHBondContact O-N 3.22Å; I305-A308 WeakPolarHBondContact O-CB 3.44Å; I305-A308 PolarHBondContact O-N 3.23Å; I305-V309 PolarHBondContact O-N 3.12Å; I305-L341 HydrophobicContact CD1-CD2 3.83Å; I305-I346 HydrophobicContact CD1-CD1 4.03Å; I305-I415 HydrophobicContact CG2-CB 4.11Å; I305-I415 HydrophobicContact CG2-CG2 3.93Å; I305-F417 HydrophobicContact CD1-CE2 4.15Å; I305-F417 HydrophobicContact CD1-CZ 3.81Å; I305-F417 HydrophobicContact CG1-CE2 4.12Å; I305-F417 HydrophobicContact CG1-CZ 4.25Å; I305-F417 HydrophobicContact CG2-CE2 4.36Å; I305-F443 HydrophobicContact CD1-CD1 4.37Å; I305-F443 HydrophobicContact CD1-CE1 3.92Å; I305-F443 HydrophobicContact CG1-CD1 4.09Å; I305-F443 HydrophobicContact CG1-CE1 3.62Å; I305-F446 HydrophobicContact CB-CE1 4.3Å; I305-F446 HydrophobicContact CB-CZ 4Å; I305-F446 HydrophobicContact CG1-CZ 4.21Å; I305-F446 HydrophobicContact CG2-CE1 4.05Å; I305-F446 HydrophobicContact CG2-CZ 4.26Å; I305-V449 HydrophobicContact CG2-CB 4.38Å; I305-V449 HydrophobicContact CG2-CG2 4.07Å |
| 306 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -50.4 | 178.3 | -177.3 | -89.2 | 0 | 0 | 0 | 112.4 | S291 F298 Q302 R303 A308 V309 L310 V449 I451 R470 V472 I475 | S291-Y306 WeakPolarHBondContact O-CE2 3.23Å; F298-Y306 HydrophobicContact CD1-CG 4.49Å; F298-Y306 HydrophobicContact CE1-CD1 4.14Å; F298-Y306 AromaticContact CE1-CD2 3.72Å; F298-Y306 HydrophobicContact CE1-CD2 3.72Å; F298-Y306 HydrophobicContact CE1-CE2 4.42Å; F298-Y306 AromaticContact CE1-CG 3.57Å; F298-Y306 HydrophobicContact CE1-CG 3.57Å; F298-Y306 HydrophobicContact CZ-CD1 4.22Å; F298-Y306 AromaticContact CZ-CD2 4Å; F298-Y306 HydrophobicContact CZ-CD2 4Å; F298-Y306 HydrophobicContact CZ-CE1 4.46Å; F298-Y306 HydrophobicContact CZ-CE2 4.25Å; F298-Y306 AromaticContact CZ-CG 4Å; F298-Y306 HydrophobicContact CZ-CG 4Å; Q302-Y306 WeakPolarHBondContact O-CB 3.48Å; Q302-Y306 PolarHBondContact O-N 2.69Å; R303-Y306 PolarHBondContact O-N 2.96Å; Y306-A308 PolarHBondContact O-N 3.26Å; Y306-V309 PolarHBondContact O-N 3.09Å; Y306-L310 HydrophobicContact CE1-CB 4.48Å; Y306-L310 HydrophobicContact CE1-CD2 4.36Å; Y306-L310 PolarHBondContact O-N 2.68Å; Y306-V449 HydrophobicContact CD2-CG1 3.84Å; Y306-V449 HydrophobicContact CE2-CG1 4.41Å; Y306-I451 HydrophobicContact CD2-CD1 4.42Å; Y306-I451 HydrophobicContact CE1-CD1 4.23Å; Y306-I451 HydrophobicContact CE2-CD1 3.81Å; Y306-I451 HydrophobicContact CE2-CG1 4.15Å; Y306-R470 VanDerWaalsContact CE1-O 3.24Å; Y306-R470 WeakPolarHBondContact CE1-O 3.38Å; Y306-R470 PolarHBondContact OH-O 3.27Å; Y306-V472 HydrophobicContact CD1-CG2 3.75Å; Y306-V472 HydrophobicContact CE1-CG2 4.22Å; Y306-I475 HydrophobicContact CE1-CD1 4.18Å; Y306-I475 HydrophobicContact CE2-CD1 4.02Å; Y306-I475 VanDerWaalsContact CZ-CD1 3.5Å; Y306-I475 WeakPolarHBondContact OH-CD1 3.41Å |
| 307 | E | 98.9 | Very high | 98.8 | Very high | 73 Ų | 73 | 37 Ų | 37 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.9 | -29 | 179.2 | -71.9 | 179.9 | 145.7 | 0 | 0 | 112 | R303 L310 K311 V472 | R303-E307 HydrophobicContact CG-CG 4.2Å; R303-E307 WeakPolarHBondContact CG-OE2 3.25Å; R303-E307 IonicContact CZ-OE1 3.5Å; R303-E307 VanDerWaalsContact CZ-OE1 3.22Å; R303-E307 IonicContact NE-OE1 2.65Å; R303-E307 PolarHBondContact NE-OE1 2.76Å; R303-E307 IonicContact NE-OE2 3.53Å; R303-E307 PolarHBondContact NE-OE2 3.47Å; R303-E307 IonicContact NH2-OE1 3.38Å; R303-E307 PolarHBondContact NH2-OE1 2.93Å; R303-E307 WeakPolarHBondContact O-CB 3.36Å; R303-E307 WeakPolarHBondContact O-CG 3.05Å; R303-E307 PolarHBondContact O-N 2.87Å; E307-L310 PolarHBondContact O-N 2.9Å; E307-K311 VanDerWaalsContact O-CB 3.28Å; E307-K311 WeakPolarHBondContact O-CB 3.47Å; E307-K311 PolarHBondContact O-N 2.85Å; E307-V472 HydrophobicContact CG-CG2 3.97Å |
| 308 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A304 I305 Y306 K311 S312 E340 I415 | A304-A308 WeakPolarHBondContact O-CB 3.26Å; A304-A308 PolarHBondContact O-N 2.93Å; I305-A308 WeakPolarHBondContact O-CB 3.44Å; I305-A308 PolarHBondContact O-N 3.23Å; Y306-A308 PolarHBondContact O-N 3.26Å; A308-K311 PolarHBondContact O-N 2.82Å; A308-S312 PolarHBondContact O-N 3.15Å; A308-S312 VanDerWaalsContact O-N 3.17Å; A308-E340 HydrophobicContact CB-CB 3.45Å; A308-E340 VanDerWaalsContact CB-CB 3.45Å; A308-E340 HydrophobicContact CB-CG 3.86Å; A308-I415 HydrophobicContact CB-CD1 3.88Å |
| 309 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -39.7 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | I305 Y306 K311 S312 S313 P413 I415 V449 I451 | I305-V309 PolarHBondContact O-N 3.12Å; Y306-V309 PolarHBondContact O-N 3.09Å; V309-K311 VanDerWaalsContact C-N 3.26Å; V309-K311 PolarHBondContact O-N 3.33Å; V309-S312 PolarHBondContact O-N 2.89Å; V309-S312 PolarHBondContact O-OG 2.87Å; V309-S313 VanDerWaalsContact O-CB 3.32Å; V309-S313 WeakPolarHBondContact O-CB 3.39Å; V309-S313 PolarHBondContact O-N 2.79Å; V309-P413 HydrophobicContact CG1-CG 4.34Å; V309-P413 WeakPolarHBondContact CG1-O 3.4Å; V309-I415 HydrophobicContact CG2-CB 3.88Å; V309-I415 HydrophobicContact CG2-CD1 3.9Å; V309-I415 HydrophobicContact CG2-CG1 3.76Å; V309-V449 HydrophobicContact CB-CG1 3.91Å; V309-V449 HydrophobicContact CG1-CG1 4.14Å; V309-V449 HydrophobicContact CG2-CB 4.05Å; V309-V449 HydrophobicContact CG2-CG1 3.9Å; V309-I451 HydrophobicContact CB-CD1 4.33Å; V309-I451 HydrophobicContact CG1-CB 4.03Å; V309-I451 HydrophobicContact CG1-CD1 4.07Å; V309-I451 HydrophobicContact CG1-CG1 3.93Å |
| 310 | L | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.2 | -178.7 | 63.1 | 0 | 0 | 0 | 111 | Y306 E307 S313 R314 I451 R470 | Y306-L310 HydrophobicContact CE1-CB 4.48Å; Y306-L310 HydrophobicContact CE1-CD2 4.36Å; Y306-L310 PolarHBondContact O-N 2.68Å; E307-L310 PolarHBondContact O-N 2.9Å; L310-S313 PolarHBondContact O-N 2.86Å; L310-R314 HydrophobicContact CD1-CG 4.3Å; L310-R314 VanDerWaalsContact O-CG 3.31Å; L310-R314 WeakPolarHBondContact O-CG 3.34Å; L310-R314 PolarHBondContact O-N 3.05Å; L310-I451 HydrophobicContact CB-CD1 3.77Å; L310-I451 HydrophobicContact CD1-CD1 4.12Å; L310-R470 HydrophobicContact CD1-CB 4.1Å; L310-R470 WeakPolarHBondContact CD2-O 3.41Å |
| 311 | K | 98.9 | Very high | 98.7 | Very high | 84 Ų | 84 | 35.5 Ų | 35.5 | 37% | 0.365 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 178.3 | -173.4 | -177.6 | 167.7 | -171.8 | 0 | 112 | E307 A308 V309 A315 V336 E340 | E307-K311 VanDerWaalsContact O-CB 3.28Å; E307-K311 WeakPolarHBondContact O-CB 3.47Å; E307-K311 PolarHBondContact O-N 2.85Å; A308-K311 PolarHBondContact O-N 2.82Å; V309-K311 VanDerWaalsContact C-N 3.26Å; V309-K311 PolarHBondContact O-N 3.33Å; K311-A315 VanDerWaalsContact O-CB 3.29Å; K311-A315 WeakPolarHBondContact O-CB 3.35Å; K311-A315 PolarHBondContact O-N 2.85Å; K311-V336 HydrophobicContact CB-CG1 4.11Å; K311-V336 HydrophobicContact CD-CG1 3.94Å; K311-V336 HydrophobicContact CG-CG1 3.84Å; K311-E340 HydrophobicContact CD-CG 4.12Å; K311-E340 VanDerWaalsContact CD-OE1 3.3Å; K311-E340 WeakPolarHBondContact CD-OE1 3.34Å; K311-E340 IonicContact NZ-OE1 2.71Å; K311-E340 PolarHBondContact NZ-OE1 3.41Å |
| 312 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 177.7 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | A308 V309 R314 A315 V316 H337 P413 | A308-S312 PolarHBondContact O-N 3.15Å; A308-S312 VanDerWaalsContact O-N 3.17Å; V309-S312 PolarHBondContact O-N 2.89Å; V309-S312 PolarHBondContact O-OG 2.87Å; S312-R314 PolarHBondContact O-N 2.71Å; S312-A315 PolarHBondContact O-N 2.85Å; S312-V316 WeakPolarHBondContact O-CG2 3.48Å; S312-V316 PolarHBondContact O-N 3.14Å; S312-H337 WeakPolarHBondContact CB-NE2 3.29Å; S312-H337 PolarHBondContact OG-CD2 3.49Å; S312-H337 PolarHBondContact OG-NE2 3.25Å; S312-P413 WeakPolarHBondContact OG-CB 3.31Å; S312-P413 WeakPolarHBondContact OG-CG 3.4Å |
| 313 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.9 | -51.7 | 173.9 | 172 | 0 | 0 | 0 | 0 | 111.4 | V309 L310 A315 V316 M317 | V309-S313 VanDerWaalsContact O-CB 3.32Å; V309-S313 WeakPolarHBondContact O-CB 3.39Å; V309-S313 PolarHBondContact O-N 2.79Å; L310-S313 PolarHBondContact O-N 2.86Å; S313-A315 PolarHBondContact O-N 2.8Å; S313-V316 PolarHBondContact O-N 2.98Å; S313-M317 WeakPolarHBondContact O-CB 3.32Å; S313-M317 WeakPolarHBondContact O-CE 3.45Å; S313-M317 WeakPolarHBondContact O-CG 3.32Å; S313-M317 PolarHBondContact O-N 3.38Å; S313-M317 WeakPolarHBondContact OG-CE 3.46Å |
| 314 | R | 98.9 | Very high | 98.7 | Very high | 100 Ų | 100 | 34.5 Ų | 34.5 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.8 | -35.6 | 177.9 | -63.9 | -61.9 | 178.7 | -146.4 | -1.2 | 113.3 | L310 S312 A318 D453 | L310-R314 HydrophobicContact CD1-CG 4.3Å; L310-R314 VanDerWaalsContact O-CG 3.31Å; L310-R314 WeakPolarHBondContact O-CG 3.34Å; L310-R314 PolarHBondContact O-N 3.05Å; S312-R314 PolarHBondContact O-N 2.71Å; R314-A318 VanDerWaalsContact O-CB 3.29Å; R314-A318 WeakPolarHBondContact O-CB 3.43Å; R314-A318 PolarHBondContact O-N 3.47Å; R314-D453 IonicContact NH1-OD2 3.46Å |
| 315 | A | 98.9 | Very high | 98.6 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 26% | 0.256 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | K311 S312 S313 A318 A319 L332 V336 | K311-A315 VanDerWaalsContact O-CB 3.29Å; K311-A315 WeakPolarHBondContact O-CB 3.35Å; K311-A315 PolarHBondContact O-N 2.85Å; S312-A315 PolarHBondContact O-N 2.85Å; S313-A315 PolarHBondContact O-N 2.8Å; A315-A318 PolarHBondContact O-N 3.12Å; A315-A319 WeakPolarHBondContact O-CB 3.15Å; A315-A319 PolarHBondContact O-N 3.25Å; A315-A319 VanDerWaalsContact O-N 3.16Å; A315-L332 HydrophobicContact CB-CD2 4.45Å; A315-V336 HydrophobicContact CB-CG2 4.26Å |
| 316 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -52 | 174.6 | 167.2 | 0 | 0 | 0 | 0 | 110.3 | S312 S313 A318 A319 L320 M329 L332 A333 L368 V411 | S312-V316 WeakPolarHBondContact O-CG2 3.48Å; S312-V316 PolarHBondContact O-N 3.14Å; S313-V316 PolarHBondContact O-N 2.98Å; V316-A318 VanDerWaalsContact C-N 3.28Å; V316-A318 PolarHBondContact O-N 3.37Å; V316-A319 PolarHBondContact O-N 2.96Å; V316-L320 HydrophobicContact CG1-CD1 4.19Å; V316-L320 HydrophobicContact CG1-CG 4.35Å; V316-L320 WeakPolarHBondContact O-CG 3.5Å; V316-L320 PolarHBondContact O-N 3.42Å; V316-M329 HydrophobicContact CG1-CB 4.21Å; V316-L332 HydrophobicContact CG2-CD2 4.4Å; V316-A333 HydrophobicContact CG2-CB 4.15Å; V316-L368 HydrophobicContact CG1-CD2 3.95Å; V316-L368 HydrophobicContact CG2-CD1 4.28Å; V316-L368 HydrophobicContact CG2-CD2 3.87Å; V316-V411 HydrophobicContact CB-CG1 4.1Å; V316-V411 HydrophobicContact CG1-CG1 3.69Å; V316-V411 HydrophobicContact CG1-CG2 4.32Å |
| 317 | M | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -40.2 | 179.1 | -81.9 | -170.8 | -99.4 | 0 | 0 | 113.3 | S313 A319 L320 V411 D453 M462 L464 | S313-M317 WeakPolarHBondContact O-CB 3.32Å; S313-M317 WeakPolarHBondContact O-CE 3.45Å; S313-M317 WeakPolarHBondContact O-CG 3.32Å; S313-M317 PolarHBondContact O-N 3.38Å; S313-M317 WeakPolarHBondContact OG-CE 3.46Å; M317-A319 VanDerWaalsContact C-N 3.3Å; M317-A319 PolarHBondContact O-N 2.6Å; M317-L320 PolarHBondContact O-N 3.48Å; M317-V411 HydrophobicContact CG-CG1 4.29Å; M317-V411 HydrophobicContact CG-CG2 4.39Å; M317-D453 WeakPolarHBondContact CE-OD2 3.23Å; M317-M462 HydrophobicContact CB-CE 3.53Å; M317-M462 HydrophobicContact CG-CE 3.54Å; M317-M462 HydrophobicContact SD-CE 3.48Å; M317-M462 WeakPolarHBondContact SD-CE 3.34Å; M317-L464 HydrophobicContact SD-CD1 4.34Å |
| 318 | A | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 39.1 Ų | 39.1 | 72% | 0.719 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -70 | -26.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R314 A315 V316 | R314-A318 VanDerWaalsContact O-CB 3.29Å; R314-A318 WeakPolarHBondContact O-CB 3.43Å; R314-A318 PolarHBondContact O-N 3.47Å; A315-A318 PolarHBondContact O-N 3.12Å; V316-A318 VanDerWaalsContact C-N 3.28Å; V316-A318 PolarHBondContact O-N 3.37Å |
| 319 | A | 98.5 | Very high | 98.6 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -86 | -19.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | A315 V316 M317 R321 M329 L332 | A315-A319 WeakPolarHBondContact O-CB 3.15Å; A315-A319 PolarHBondContact O-N 3.25Å; A315-A319 VanDerWaalsContact O-N 3.16Å; V316-A319 PolarHBondContact O-N 2.96Å; M317-A319 VanDerWaalsContact C-N 3.3Å; M317-A319 PolarHBondContact O-N 2.6Å; A319-R321 PolarHBondContact O-N 3.47Å; A319-R321 PolarHBondContact O-NH1 2.68Å; A319-R321 VanDerWaalsContact O-NH1 3.13Å; A319-M329 HydrophobicContact CB-CE 4.13Å; A319-M329 HydrophobicContact CB-SD 3.73Å; A319-L332 HydrophobicContact CB-CD2 4.02Å |
| 320 | L | 97.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | trans | -65.5 | 127.8 | -175.6 | -82.7 | 171.1 | 0 | 0 | 0 | 112.7 | V316 M317 V324 W326 M329 V403 V411 I455 G461 M462 | V316-L320 HydrophobicContact CG1-CD1 4.19Å; V316-L320 HydrophobicContact CG1-CG 4.35Å; V316-L320 WeakPolarHBondContact O-CG 3.5Å; V316-L320 PolarHBondContact O-N 3.42Å; M317-L320 PolarHBondContact O-N 3.48Å; L320-V324 HydrophobicContact CD2-CG2 4.17Å; L320-W326 HydrophobicContact CD1-CZ3 4.31Å; L320-W326 HydrophobicContact CD2-CE3 4.14Å; L320-W326 HydrophobicContact CD2-CZ3 3.64Å; L320-W326 HydrophobicContact CG-CZ3 4.5Å; L320-M329 HydrophobicContact CD2-CG 4.28Å; L320-V403 HydrophobicContact CD2-CG1 4.4Å; L320-V403 HydrophobicContact CD2-CG2 4.11Å; L320-V411 HydrophobicContact CD1-CG2 3.81Å; L320-I455 HydrophobicContact CD1-CD1 4.16Å; L320-I455 HydrophobicContact CD1-CG1 4.17Å; L320-G461 WeakPolarHBondContact O-CA 3.33Å; L320-M462 HydrophobicContact CB-CG 4.45Å | ||
| 321 | R | 97.9 | Very high | 98.6 | Very high | 137 Ų | 137 | 42.6 Ų | 42.6 | 52% | 0.517 | 23% | 0.229 | S | C | . | . | trans | -166.4 | 163 | 171.8 | 59.9 | -175.5 | 179.4 | -83.3 | 2.7 | 109 | A319 G323 V324 | A319-R321 PolarHBondContact O-N 3.47Å; A319-R321 PolarHBondContact O-NH1 2.68Å; A319-R321 VanDerWaalsContact O-NH1 3.13Å; R321-G323 PolarHBondContact O-N 3.5Å; R321-V324 HydrophobicContact CG-CG1 3.76Å; R321-V324 WeakPolarHBondContact O-CG2 3.4Å; R321-V324 PolarHBondContact O-N 2.79Å | ||
| 322 | P | 98.6 | Very high | 98.6 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 139.1 | 173.1 | -28.2 | 36.5 | 0 | 0 | 0 | 112.8 | V403 E405 V457 T458 | P322-V403 CarbonylContact C-O 3.56Å; P322-V403 WeakPolarHBondContact CA-O 3.48Å; P322-E405 HydrophobicContact CG-CB 4.23Å; P322-V457 HydrophobicContact CG-CG1 4.01Å; P322-T458 WeakPolarHBondContact CD-O 3.42Å; P322-T458 VanDerWaalsContact CG-O 3.24Å; P322-T458 WeakPolarHBondContact CG-O 3.2Å |
| 323 | G | 98.3 | Very high | 98.5 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 52% | 0.515 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -8.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | R321 V403 | R321-G323 PolarHBondContact O-N 3.5Å; G323-V403 PolarHBondContact N-O 2.94Å |
| 324 | V | 98.1 | Very high | 98.5 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | trans | -72.9 | 145.6 | 173 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | L320 R321 M329 L402 V403 | L320-V324 HydrophobicContact CD2-CG2 4.17Å; R321-V324 HydrophobicContact CG-CG1 3.76Å; R321-V324 WeakPolarHBondContact O-CG2 3.4Å; R321-V324 PolarHBondContact O-N 2.79Å; V324-M329 HydrophobicContact CG2-CG 4.3Å; V324-M329 HydrophobicContact CG2-SD 4.38Å; V324-L402 WeakPolarHBondContact O-CA 3.18Å; V324-V403 HydrophobicContact CG2-CB 3.84Å; V324-V403 HydrophobicContact CG2-CG2 3.65Å; V324-V403 PolarHBondContact O-N 3.43Å | ||
| 325 | K | 98.2 | Very high | 98.5 | Very high | 113 Ų | 113 | 40 Ų | 40 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -77.8 | 129.3 | 171.5 | -66.3 | 175.5 | -178.6 | 178 | 0 | 109.2 | T327 D328 M329 L402 | K325-T327 PolarHBondContact O-N 2.61Å; K325-D328 HydrophobicContact CB-CB 4.19Å; K325-D328 PolarHBondContact O-N 2.7Å; K325-D328 VanDerWaalsContact O-N 3.09Å; K325-M329 PolarHBondContact O-N 3.05Å; K325-L402 HydrophobicContact CB-CD2 4.28Å; K325-L402 HydrophobicContact CG-CD2 3.43Å; K325-L402 VanDerWaalsContact CG-CD2 3.43Å |
| 326 | W | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -32.2 | 176.9 | -169.2 | -121.5 | 0 | 0 | 0 | 112.7 | L320 D328 M329 H330 L368 G369 M399 R401 V403 L409 T410 V411 | L320-W326 HydrophobicContact CD1-CZ3 4.31Å; L320-W326 HydrophobicContact CD2-CE3 4.14Å; L320-W326 HydrophobicContact CD2-CZ3 3.64Å; L320-W326 HydrophobicContact CG-CZ3 4.5Å; W326-D328 VanDerWaalsContact C-N 3.29Å; W326-D328 PolarHBondContact O-N 2.8Å; W326-M329 HydrophobicContact CE3-CB 4.21Å; W326-M329 HydrophobicContact CE3-CG 4.15Å; W326-M329 HydrophobicContact CZ3-CB 4.47Å; W326-M329 HydrophobicContact CZ3-CG 4.47Å; W326-M329 WeakPolarHBondContact O-CB 3.48Å; W326-M329 PolarHBondContact O-N 3.21Å; W326-M329 VanDerWaalsContact O-N 3.12Å; W326-H330 PolarHBondContact O-N 2.97Å; W326-H330 VanDerWaalsContact O-N 3.12Å; W326-L368 HydrophobicContact CH2-CD2 4.36Å; W326-L368 HydrophobicContact CH2-CG 4.47Å; W326-L368 HydrophobicContact CZ2-CB 4.47Å; W326-L368 HydrophobicContact CZ2-CD2 4.29Å; W326-L368 HydrophobicContact CZ2-CG 4.13Å; W326-G369 PolarHBondContact NE1-O 3.44Å; W326-M399 HydrophobicContact CB-CE 4.47Å; W326-M399 HydrophobicContact CB-SD 3.5Å; W326-M399 VanDerWaalsContact CB-SD 3.5Å; W326-M399 HydrophobicContact CG-SD 3.84Å; W326-R401 PolarHBondContact N-O 3.28Å; W326-V403 HydrophobicContact CE3-CG2 3.92Å; W326-L409 HydrophobicContact CE3-CD1 4.24Å; W326-L409 HydrophobicContact CH2-CB 4.39Å; W326-L409 HydrophobicContact CH2-CD1 4.37Å; W326-L409 HydrophobicContact CZ3-CD1 3.96Å; W326-T410 WeakPolarHBondContact CH2-O 3.39Å; W326-T410 WeakPolarHBondContact CZ2-O 3.37Å; W326-V411 HydrophobicContact CH2-CG2 4.17Å |
| 327 | T | 98.1 | Very high | 98.6 | Very high | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -32.1 | 174.6 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | K325 M329 H330 R331 I389 L394 L397 | K325-T327 PolarHBondContact O-N 2.61Å; T327-M329 VanDerWaalsContact C-N 3.34Å; T327-H330 PolarHBondContact O-N 3.35Å; T327-R331 WeakPolarHBondContact O-CG 3.18Å; T327-R331 PolarHBondContact O-N 2.86Å; T327-I389 HydrophobicContact CG2-CD1 3.6Å; T327-L394 HydrophobicContact CG2-CD2 4.47Å; T327-L397 HydrophobicContact CG2-CD1 3.73Å |
| 328 | D | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.6 | -30.9 | 175 | -66.6 | -16.8 | 0 | 0 | 0 | 111.2 | K325 W326 R331 L332 | K325-D328 HydrophobicContact CB-CB 4.19Å; K325-D328 PolarHBondContact O-N 2.7Å; K325-D328 VanDerWaalsContact O-N 3.09Å; W326-D328 VanDerWaalsContact C-N 3.29Å; W326-D328 PolarHBondContact O-N 2.8Å; D328-R331 PolarHBondContact O-N 3.07Å; D328-R331 IonicContact OD1-NH1 2.97Å; D328-L332 WeakPolarHBondContact O-CB 3.4Å; D328-L332 PolarHBondContact O-N 3.32Å |
| 329 | M | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 173.7 | -59.5 | -60.6 | 90.9 | 0 | 0 | 111.3 | V316 A319 L320 V324 K325 W326 T327 R331 L332 A333 L368 | V316-M329 HydrophobicContact CG1-CB 4.21Å; A319-M329 HydrophobicContact CB-CE 4.13Å; A319-M329 HydrophobicContact CB-SD 3.73Å; L320-M329 HydrophobicContact CD2-CG 4.28Å; V324-M329 HydrophobicContact CG2-CG 4.3Å; V324-M329 HydrophobicContact CG2-SD 4.38Å; K325-M329 PolarHBondContact O-N 3.05Å; W326-M329 HydrophobicContact CE3-CB 4.21Å; W326-M329 HydrophobicContact CE3-CG 4.15Å; W326-M329 HydrophobicContact CZ3-CB 4.47Å; W326-M329 HydrophobicContact CZ3-CG 4.47Å; W326-M329 WeakPolarHBondContact O-CB 3.48Å; W326-M329 PolarHBondContact O-N 3.21Å; W326-M329 VanDerWaalsContact O-N 3.12Å; T327-M329 VanDerWaalsContact C-N 3.34Å; M329-R331 PolarHBondContact O-N 2.85Å; M329-L332 HydrophobicContact CE-CD2 4.45Å; M329-L332 WeakPolarHBondContact O-CB 3.42Å; M329-L332 PolarHBondContact O-N 3.37Å; M329-A333 PolarHBondContact O-N 2.83Å; M329-L368 HydrophobicContact CB-CD2 3.54Å; M329-L368 WeakPolarHBondContact O-CD2 3.16Å |
| 330 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.1 | -177.5 | 92.7 | 0 | 0 | 0 | 111.6 | W326 T327 L332 A333 D334 H366 L368 L394 L397 | W326-H330 PolarHBondContact O-N 2.97Å; W326-H330 VanDerWaalsContact O-N 3.12Å; T327-H330 PolarHBondContact O-N 3.35Å; H330-L332 VanDerWaalsContact C-N 3.29Å; H330-L332 PolarHBondContact O-N 2.97Å; H330-A333 WeakPolarHBondContact O-CB 3.4Å; H330-A333 PolarHBondContact O-N 3.1Å; H330-A333 VanDerWaalsContact O-N 3.15Å; H330-D334 IonicContact CD2-OD2 3.37Å; H330-D334 IonicContact NE2-OD2 2.76Å; H330-D334 PolarHBondContact O-N 3.26Å; H330-H366 PolarHBondContact CE1-O 3.22Å; H330-H366 VanDerWaalsContact CE1-O 3.26Å; H330-L368 HydrophobicContact CB-CB 3.94Å; H330-L368 HydrophobicContact CB-CD2 4.42Å; H330-L368 PolarHBondContact ND1-N 3.41Å; H330-L394 HydrophobicContact CB-CD2 3.81Å; H330-L394 WeakPolarHBondContact CD2-CD2 3.33Å; H330-L397 HydrophobicContact CB-CD1 4.14Å; H330-L397 HydrophobicContact CB-CD2 4.19Å |
| 331 | R | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.3 | -33.4 | 175.6 | -69.4 | -177 | 178 | 115.2 | -2.2 | 112.9 | T327 D328 M329 K335 E391 L394 | T327-R331 WeakPolarHBondContact O-CG 3.18Å; T327-R331 PolarHBondContact O-N 2.86Å; D328-R331 PolarHBondContact O-N 3.07Å; D328-R331 IonicContact OD1-NH1 2.97Å; M329-R331 PolarHBondContact O-N 2.85Å; R331-K335 WeakPolarHBondContact O-CB 3.17Å; R331-K335 PolarHBondContact O-N 2.91Å; R331-E391 IonicContact CZ-OE2 3.71Å; R331-E391 IonicContact NH2-OE1 3.12Å; R331-E391 IonicContact NH2-OE2 3.47Å; R331-E391 PolarHBondContact NH2-OE2 3.12Å; R331-L394 VanDerWaalsContact CZ-CD1 3.45Å |
| 332 | L | 98.9 | Very high | 98.7 | Very high | 52 Ų | 52 | 33 Ų | 33 | 27% | 0.272 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 172.7 | 174 | 62.3 | 0 | 0 | 0 | 111 | A315 V316 A319 D328 M329 H330 K335 V336 | A315-L332 HydrophobicContact CB-CD2 4.45Å; V316-L332 HydrophobicContact CG2-CD2 4.4Å; A319-L332 HydrophobicContact CB-CD2 4.02Å; D328-L332 WeakPolarHBondContact O-CB 3.4Å; D328-L332 PolarHBondContact O-N 3.32Å; M329-L332 HydrophobicContact CE-CD2 4.45Å; M329-L332 WeakPolarHBondContact O-CB 3.42Å; M329-L332 PolarHBondContact O-N 3.37Å; H330-L332 VanDerWaalsContact C-N 3.29Å; H330-L332 PolarHBondContact O-N 2.97Å; L332-K335 PolarHBondContact O-N 3.35Å; L332-V336 HydrophobicContact CD1-CG2 4.31Å; L332-V336 WeakPolarHBondContact O-CG2 3.25Å; L332-V336 PolarHBondContact O-N 3.35Å |
| 333 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V316 M329 H330 K335 V336 H337 M364 L368 P413 | V316-A333 HydrophobicContact CG2-CB 4.15Å; M329-A333 PolarHBondContact O-N 2.83Å; H330-A333 WeakPolarHBondContact O-CB 3.4Å; H330-A333 PolarHBondContact O-N 3.1Å; H330-A333 VanDerWaalsContact O-N 3.15Å; A333-K335 VanDerWaalsContact C-N 3.33Å; A333-K335 PolarHBondContact O-N 3.04Å; A333-V336 PolarHBondContact O-N 3.47Å; A333-H337 VanDerWaalsContact O-CG 3.23Å; A333-H337 PolarHBondContact O-N 3.01Å; A333-M364 HydrophobicContact CB-CE 4.02Å; A333-L368 HydrophobicContact CB-CD1 3.86Å; A333-P413 HydrophobicContact CB-CB 4.29Å |
| 334 | D | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.2 | -49 | 174.1 | -83.7 | -22 | 0 | 0 | 0 | 111.9 | H330 V336 H337 L338 L355 M364 | H330-D334 IonicContact CD2-OD2 3.37Å; H330-D334 IonicContact NE2-OD2 2.76Å; H330-D334 PolarHBondContact O-N 3.26Å; D334-V336 PolarHBondContact O-N 3.47Å; D334-H337 PolarHBondContact O-N 3.45Å; D334-L338 VanDerWaalsContact O-CG 3.26Å; D334-L338 WeakPolarHBondContact O-CG 3.42Å; D334-L338 PolarHBondContact O-N 2.79Å; D334-L355 HydrophobicContact CB-CD2 4.07Å; D334-M364 WeakPolarHBondContact OD1-CE 3.46Å |
| 335 | K | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 36.9 Ų | 36.9 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 179 | 178 | 168.5 | 175.5 | 159.5 | 0 | 111.5 | R331 L332 A333 L338 E339 V351 E352 L355 | R331-K335 WeakPolarHBondContact O-CB 3.17Å; R331-K335 PolarHBondContact O-N 2.91Å; L332-K335 PolarHBondContact O-N 3.35Å; A333-K335 VanDerWaalsContact C-N 3.33Å; A333-K335 PolarHBondContact O-N 3.04Å; K335-L338 PolarHBondContact O-N 2.78Å; K335-E339 WeakPolarHBondContact CE-OE1 3.31Å; K335-E339 WeakPolarHBondContact O-CG 3.46Å; K335-E339 PolarHBondContact O-N 3.22Å; K335-V351 HydrophobicContact CG-CG1 4.14Å; K335-E352 IonicContact NZ-OE1 3.64Å; K335-E352 PolarHBondContact NZ-OE1 2.94Å; K335-L355 HydrophobicContact CB-CD1 4.13Å; K335-L355 HydrophobicContact CB-CD2 4.43Å; K335-L355 HydrophobicContact CD-CD1 4.32Å; K335-L355 HydrophobicContact CG-CD1 4.29Å |
| 336 | V | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | K311 A315 L332 A333 D334 L338 E339 E340 | K311-V336 HydrophobicContact CB-CG1 4.11Å; K311-V336 HydrophobicContact CD-CG1 3.94Å; K311-V336 HydrophobicContact CG-CG1 3.84Å; A315-V336 HydrophobicContact CB-CG2 4.26Å; L332-V336 HydrophobicContact CD1-CG2 4.31Å; L332-V336 WeakPolarHBondContact O-CG2 3.25Å; L332-V336 PolarHBondContact O-N 3.35Å; A333-V336 PolarHBondContact O-N 3.47Å; D334-V336 PolarHBondContact O-N 3.47Å; V336-L338 PolarHBondContact O-N 3.42Å; V336-E339 PolarHBondContact O-N 2.91Å; V336-E340 HydrophobicContact CG1-CG 4.42Å; V336-E340 WeakPolarHBondContact O-CG 3.43Å; V336-E340 PolarHBondContact O-N 2.81Å |
| 337 | H | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 176.2 | -66.6 | 166.8 | 0 | 0 | 0 | 111.7 | S312 A333 D334 E340 L341 G414 I415 | S312-H337 WeakPolarHBondContact CB-NE2 3.29Å; S312-H337 PolarHBondContact OG-CD2 3.49Å; S312-H337 PolarHBondContact OG-NE2 3.25Å; A333-H337 VanDerWaalsContact O-CG 3.23Å; A333-H337 PolarHBondContact O-N 3.01Å; D334-H337 PolarHBondContact O-N 3.45Å; H337-E340 PolarHBondContact O-N 2.89Å; H337-L341 WeakPolarHBondContact O-CB 3.46Å; H337-L341 VanDerWaalsContact O-CG 3.23Å; H337-L341 WeakPolarHBondContact O-CG 3.41Å; H337-L341 PolarHBondContact O-N 2.9Å; H337-G414 PolarHBondContact CE1-O 2.85Å; H337-G414 VanDerWaalsContact CE1-O 3.28Å; H337-I415 HydrophobicContact CB-CD1 3.93Å; H337-I415 HydrophobicContact CB-CG1 4.12Å |
| 338 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 179.4 | -66.9 | 171 | 0 | 0 | 0 | 111.9 | D334 K335 V336 E340 L341 V342 L347 V351 M354 L355 L359 | D334-L338 VanDerWaalsContact O-CG 3.26Å; D334-L338 WeakPolarHBondContact O-CG 3.42Å; D334-L338 PolarHBondContact O-N 2.79Å; K335-L338 PolarHBondContact O-N 2.78Å; V336-L338 PolarHBondContact O-N 3.42Å; L338-E340 VanDerWaalsContact C-N 3.32Å; L338-E340 PolarHBondContact O-N 3.31Å; L338-L341 PolarHBondContact O-N 3.27Å; L338-V342 WeakPolarHBondContact O-CG2 3.17Å; L338-V342 PolarHBondContact O-N 3.19Å; L338-L347 HydrophobicContact CD2-CD1 3.46Å; L338-L347 VanDerWaalsContact CD2-CD1 3.46Å; L338-V351 HydrophobicContact CB-CG1 3.94Å; L338-V351 HydrophobicContact CB-CG2 4.48Å; L338-V351 HydrophobicContact CD1-CG1 4.45Å; L338-M354 HydrophobicContact CB-SD 4.39Å; L338-M354 HydrophobicContact CD1-CB 3.89Å; L338-M354 HydrophobicContact CD2-CB 4.44Å; L338-M354 HydrophobicContact CD2-SD 4.32Å; L338-L355 HydrophobicContact CD1-CD2 3.77Å; L338-L355 HydrophobicContact CD1-CG 4.06Å; L338-L359 HydrophobicContact CD2-CB 4.1Å; L338-L359 HydrophobicContact CD2-CD2 4.2Å; L338-L359 HydrophobicContact CD2-CG 4.01Å |
| 339 | E | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 34.6 Ų | 34.6 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 174.8 | -75.4 | 174.9 | -177.7 | 0 | 0 | 112.2 | K335 V336 K343 V351 | K335-E339 WeakPolarHBondContact CE-OE1 3.31Å; K335-E339 WeakPolarHBondContact O-CG 3.46Å; K335-E339 PolarHBondContact O-N 3.22Å; V336-E339 PolarHBondContact O-N 2.91Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 3.21Å; E339-V351 HydrophobicContact CG-CB 4.48Å; E339-V351 HydrophobicContact CG-CG1 4.18Å; E339-V351 HydrophobicContact CG-CG2 3.96Å |
| 340 | E | 98.9 | Very high | 98.8 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.5 | -39.6 | 179 | -62.6 | -53.6 | 131.8 | 0 | 0 | 112 | A308 K311 V336 H337 L338 V342 K343 V344 | A308-E340 HydrophobicContact CB-CB 3.45Å; A308-E340 VanDerWaalsContact CB-CB 3.45Å; A308-E340 HydrophobicContact CB-CG 3.86Å; K311-E340 HydrophobicContact CD-CG 4.12Å; K311-E340 VanDerWaalsContact CD-OE1 3.3Å; K311-E340 WeakPolarHBondContact CD-OE1 3.34Å; K311-E340 IonicContact NZ-OE1 2.71Å; K311-E340 PolarHBondContact NZ-OE1 3.41Å; V336-E340 HydrophobicContact CG1-CG 4.42Å; V336-E340 WeakPolarHBondContact O-CG 3.43Å; V336-E340 PolarHBondContact O-N 2.81Å; H337-E340 PolarHBondContact O-N 2.89Å; L338-E340 VanDerWaalsContact C-N 3.32Å; L338-E340 PolarHBondContact O-N 3.31Å; E340-V342 PolarHBondContact O-N 2.84Å; E340-K343 WeakPolarHBondContact O-CA 3.27Å; E340-K343 WeakPolarHBondContact O-CB 3.46Å; E340-K343 PolarHBondContact O-N 3.03Å; E340-K343 IonicContact OE1-NZ 2.88Å; E340-K343 PolarHBondContact OE1-NZ 2.87Å; E340-K343 WeakPolarHBondContact OE2-CD 3.45Å; E340-K343 IonicContact OE2-NZ 3.77Å; E340-K343 PolarHBondContact OE2-NZ 2.9Å; E340-V344 WeakPolarHBondContact O-CG2 3.5Å; E340-V344 PolarHBondContact O-N 3.37Å |
| 341 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -27.3 | 175.3 | -70.1 | 172.6 | 0 | 0 | 0 | 112.7 | I305 H337 L338 G345 I346 L347 F363 I415 | I305-L341 HydrophobicContact CD1-CD2 3.83Å; H337-L341 WeakPolarHBondContact O-CB 3.46Å; H337-L341 VanDerWaalsContact O-CG 3.23Å; H337-L341 WeakPolarHBondContact O-CG 3.41Å; H337-L341 PolarHBondContact O-N 2.9Å; L338-L341 PolarHBondContact O-N 3.27Å; L341-G345 PolarHBondContact O-N 2.9Å; L341-I346 HydrophobicContact CD2-CB 4.46Å; L341-I346 HydrophobicContact CD2-CD1 3.6Å; L341-I346 PolarHBondContact O-N 2.76Å; L341-I346 VanDerWaalsContact O-N 3.08Å; L341-L347 HydrophobicContact CB-CB 4.46Å; L341-L347 HydrophobicContact CB-CD1 3.75Å; L341-L347 HydrophobicContact CB-CG 3.92Å; L341-L347 HydrophobicContact CD1-CD1 4.14Å; L341-L347 PolarHBondContact O-N 2.63Å; L341-L347 VanDerWaalsContact O-N 3.12Å; L341-F363 HydrophobicContact CD1-CB 4.27Å; L341-F363 HydrophobicContact CD1-CD1 3.94Å; L341-F363 HydrophobicContact CD1-CD2 3.69Å; L341-F363 HydrophobicContact CD1-CE1 4.17Å; L341-F363 HydrophobicContact CD1-CE2 3.94Å; L341-F363 HydrophobicContact CD1-CG 3.68Å; L341-F363 HydrophobicContact CD1-CZ 4.17Å; L341-I415 HydrophobicContact CD2-CG2 4.45Å; L341-I415 HydrophobicContact CG-CD1 4.44Å |
| 342 | V | 98.9 | Very high | 98.7 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 28% | 0.279 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.7 | -43 | 168.1 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | L338 E340 V344 G345 L347 V351 M354 | L338-V342 WeakPolarHBondContact O-CG2 3.17Å; L338-V342 PolarHBondContact O-N 3.19Å; E340-V342 PolarHBondContact O-N 2.84Å; V342-V344 VanDerWaalsContact C-N 3.34Å; V342-V344 PolarHBondContact O-N 2.87Å; V342-G345 WeakPolarHBondContact O-CA 3.29Å; V342-G345 PolarHBondContact O-N 3.02Å; V342-L347 WeakPolarHBondContact CA-O 3.33Å; V342-L347 HydrophobicContact CG2-CB 3.79Å; V342-V351 HydrophobicContact CG2-CG2 4.27Å; V342-M354 HydrophobicContact CG2-CE 3.71Å; V342-M354 HydrophobicContact CG2-SD 4.21Å |
| 343 | K | 98.6 | Very high | 98.7 | Very high | 138 Ų | 138 | 39.5 Ų | 39.5 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.8 | -36 | 177.4 | -66.5 | 170.7 | -174.2 | 173.1 | 0 | 112.8 | E339 E340 G345 | E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 3.21Å; E340-K343 WeakPolarHBondContact O-CA 3.27Å; E340-K343 WeakPolarHBondContact O-CB 3.46Å; E340-K343 PolarHBondContact O-N 3.03Å; E340-K343 IonicContact OE1-NZ 2.88Å; E340-K343 PolarHBondContact OE1-NZ 2.87Å; E340-K343 WeakPolarHBondContact OE2-CD 3.45Å; E340-K343 IonicContact OE2-NZ 3.77Å; E340-K343 PolarHBondContact OE2-NZ 2.9Å; K343-G345 PolarHBondContact O-N 3.44Å |
| 344 | V | 98.4 | Very high | 98.7 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -20.8 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | A304 E340 V342 I346 F443 | A304-V344 HydrophobicContact CB-CG2 3.86Å; E340-V344 WeakPolarHBondContact O-CG2 3.5Å; E340-V344 PolarHBondContact O-N 3.37Å; V342-V344 VanDerWaalsContact C-N 3.34Å; V342-V344 PolarHBondContact O-N 2.87Å; V344-I346 HydrophobicContact CB-CD1 4.32Å; V344-I346 HydrophobicContact CG1-CD1 3.72Å; V344-I346 HydrophobicContact CG1-CG1 3.95Å; V344-F443 HydrophobicContact CG1-CE2 4.22Å; V344-F443 HydrophobicContact CG1-CZ 3.83Å |
| 345 | G | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 9.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L341 V342 K343 L347 N436 | L341-G345 PolarHBondContact O-N 2.9Å; V342-G345 WeakPolarHBondContact O-CA 3.29Å; V342-G345 PolarHBondContact O-N 3.02Å; K343-G345 PolarHBondContact O-N 3.44Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-N436 WeakPolarHBondContact O-CB 3.26Å |
| 346 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -68.6 | -39.6 | 170.3 | -68.5 | 161.3 | 0 | 0 | 0 | 109.5 | I305 L341 V344 F363 F417 N436 V439 L440 F443 | I305-I346 HydrophobicContact CD1-CD1 4.03Å; L341-I346 HydrophobicContact CD2-CB 4.46Å; L341-I346 HydrophobicContact CD2-CD1 3.6Å; L341-I346 PolarHBondContact O-N 2.76Å; L341-I346 VanDerWaalsContact O-N 3.08Å; V344-I346 HydrophobicContact CB-CD1 4.32Å; V344-I346 HydrophobicContact CG1-CD1 3.72Å; V344-I346 HydrophobicContact CG1-CG1 3.95Å; I346-F363 HydrophobicContact CG2-CZ 4.32Å; I346-F417 HydrophobicContact CD1-CE1 3.97Å; I346-F417 HydrophobicContact CD1-CZ 3.85Å; I346-N436 PolarHBondContact O-N 3.04Å; I346-V439 HydrophobicContact CG1-CG1 3.85Å; I346-L440 HydrophobicContact CG2-CB 4.48Å; I346-L440 HydrophobicContact CG2-CD1 4.1Å; I346-F443 HydrophobicContact CD1-CD1 4.31Å; I346-F443 HydrophobicContact CD1-CD2 3.74Å; I346-F443 HydrophobicContact CD1-CE1 4.22Å; I346-F443 HydrophobicContact CD1-CE2 3.64Å; I346-F443 HydrophobicContact CD1-CG 4.09Å; I346-F443 HydrophobicContact CD1-CZ 3.89Å; I346-F443 HydrophobicContact CG1-CD2 3.91Å; I346-F443 HydrophobicContact CG1-CE2 3.8Å; I346-F443 HydrophobicContact CG1-CZ 4.47Å |
| 347 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -111.5 | 159.3 | 176 | -58.3 | -178.9 | 0 | 0 | 0 | 111.1 | L338 L341 V342 G345 M354 L359 F363 F434 I435 | L338-L347 HydrophobicContact CD2-CD1 3.46Å; L338-L347 VanDerWaalsContact CD2-CD1 3.46Å; L341-L347 HydrophobicContact CB-CB 4.46Å; L341-L347 HydrophobicContact CB-CD1 3.75Å; L341-L347 HydrophobicContact CB-CG 3.92Å; L341-L347 HydrophobicContact CD1-CD1 4.14Å; L341-L347 PolarHBondContact O-N 2.63Å; L341-L347 VanDerWaalsContact O-N 3.12Å; V342-L347 WeakPolarHBondContact CA-O 3.33Å; V342-L347 HydrophobicContact CG2-CB 3.79Å; G345-L347 VanDerWaalsContact C-N 3.33Å; L347-M354 HydrophobicContact CB-CE 4.19Å; L347-M354 HydrophobicContact CB-SD 4.39Å; L347-M354 HydrophobicContact CD1-SD 4.05Å; L347-L359 HydrophobicContact CD1-CD2 4.02Å; L347-L359 HydrophobicContact CD2-CD2 3.98Å; L347-F363 HydrophobicContact CD1-CE2 4.1Å; L347-F363 HydrophobicContact CD2-CE2 4.12Å; L347-F363 HydrophobicContact CD2-CZ 4.17Å; L347-F363 HydrophobicContact CG-CE2 4.49Å; L347-F434 CarbonylContact C-O 3.47Å; L347-F434 WeakPolarHBondContact CA-O 3.49Å; L347-I435 HydrophobicContact CD2-CG1 3.89Å |
| 348 | H | 98.7 | Very high | 98.6 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | trans | -146.5 | 158.6 | 171.1 | 68.8 | 87.2 | 0 | 0 | 0 | 111 | M354 C433 F434 | H348-M354 VanDerWaalsContact C-CE 3.49Å; H348-M354 WeakPolarHBondContact O-CE 3.48Å; H348-C433 PolarHBondContact CE1-O 3.1Å; H348-C433 PolarHBondContact NE2-O 3.39Å; H348-F434 PolarHBondContact CD2-O 3.48Å; H348-F434 PolarHBondContact N-O 2.95Å; H348-F434 WeakPolarHBondContact O-CD1 3.33Å | ||
| 349 | G | 98.1 | Very high | 98.6 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 103.4 | -157.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 350 | N | 98.3 | Very high | 98.6 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | trans | -93.7 | 126.1 | -174.9 | -176.5 | -76.4 | 0 | 0 | 0 | 111.6 | E352 D353 M354 | N350-E352 PolarHBondContact O-N 2.87Å; N350-E352 WeakPolarHBondContact OD1-CA 3.2Å; N350-E352 VanDerWaalsContact OD1-CB 3.24Å; N350-E352 WeakPolarHBondContact OD1-CB 3.24Å; N350-E352 PolarHBondContact OD1-N 2.72Å; N350-D353 HydrophobicContact CB-CB 4.38Å; N350-D353 PolarHBondContact O-N 3.09Å; N350-D353 PolarHBondContact OD1-N 2.99Å; N350-M354 WeakPolarHBondContact O-CG 3.24Å; N350-M354 PolarHBondContact O-N 3.37Å | ||
| 351 | V | 98.6 | Very high | 98.6 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -34.7 | -178 | 172.8 | 0 | 0 | 0 | 0 | 113 | K335 L338 E339 V342 D353 M354 L355 | K335-V351 HydrophobicContact CG-CG1 4.14Å; L338-V351 HydrophobicContact CB-CG1 3.94Å; L338-V351 HydrophobicContact CB-CG2 4.48Å; L338-V351 HydrophobicContact CD1-CG1 4.45Å; E339-V351 HydrophobicContact CG-CB 4.48Å; E339-V351 HydrophobicContact CG-CG1 4.18Å; E339-V351 HydrophobicContact CG-CG2 3.96Å; V342-V351 HydrophobicContact CG2-CG2 4.27Å; V351-D353 PolarHBondContact O-N 2.96Å; V351-M354 HydrophobicContact CG2-SD 4.39Å; V351-M354 WeakPolarHBondContact O-CB 3.39Å; V351-M354 PolarHBondContact O-N 3.27Å; V351-L355 HydrophobicContact CG1-CD1 4.43Å; V351-L355 WeakPolarHBondContact O-CG 3.31Å; V351-L355 PolarHBondContact O-N 2.99Å |
| 352 | E | 98.3 | Very high | 98.6 | Very high | 89 Ų | 89 | 45.7 Ų | 45.7 | 42% | 0.416 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -31.4 | 177.8 | -58 | -64.5 | 152.5 | 0 | 0 | 111.4 | K335 N350 K356 | K335-E352 IonicContact NZ-OE1 3.64Å; K335-E352 PolarHBondContact NZ-OE1 2.94Å; N350-E352 PolarHBondContact O-N 2.87Å; N350-E352 WeakPolarHBondContact OD1-CA 3.2Å; N350-E352 VanDerWaalsContact OD1-CB 3.24Å; N350-E352 WeakPolarHBondContact OD1-CB 3.24Å; N350-E352 PolarHBondContact OD1-N 2.72Å; E352-K356 WeakPolarHBondContact O-CG 3.35Å; E352-K356 PolarHBondContact O-N 2.65Å |
| 353 | D | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73.9 | -36.4 | 173.2 | -64.9 | -32.3 | 0 | 0 | 0 | 111.9 | N350 V351 L355 K356 V357 F434 | N350-D353 HydrophobicContact CB-CB 4.38Å; N350-D353 PolarHBondContact O-N 3.09Å; N350-D353 PolarHBondContact OD1-N 2.99Å; V351-D353 PolarHBondContact O-N 2.96Å; D353-L355 VanDerWaalsContact C-N 3.31Å; D353-L355 PolarHBondContact O-N 3.16Å; D353-K356 PolarHBondContact O-N 3.44Å; D353-K356 IonicContact OD1-NZ 2.72Å; D353-K356 PolarHBondContact OD1-NZ 3.48Å; D353-V357 PolarHBondContact O-N 2.73Å; D353-F434 HydrophobicContact CB-CE1 4.21Å; D353-F434 HydrophobicContact CB-CZ 3.8Å |
| 354 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -38 | 172.8 | -64 | 173.1 | -165 | 0 | 0 | 112.4 | L338 V342 L347 H348 N350 V351 V357 H358 L359 F434 | L338-M354 HydrophobicContact CB-SD 4.39Å; L338-M354 HydrophobicContact CD1-CB 3.89Å; L338-M354 HydrophobicContact CD2-CB 4.44Å; L338-M354 HydrophobicContact CD2-SD 4.32Å; V342-M354 HydrophobicContact CG2-CE 3.71Å; V342-M354 HydrophobicContact CG2-SD 4.21Å; L347-M354 HydrophobicContact CB-CE 4.19Å; L347-M354 HydrophobicContact CB-SD 4.39Å; L347-M354 HydrophobicContact CD1-SD 4.05Å; H348-M354 VanDerWaalsContact C-CE 3.49Å; H348-M354 WeakPolarHBondContact O-CE 3.48Å; N350-M354 WeakPolarHBondContact O-CG 3.24Å; N350-M354 PolarHBondContact O-N 3.37Å; V351-M354 HydrophobicContact CG2-SD 4.39Å; V351-M354 WeakPolarHBondContact O-CB 3.39Å; V351-M354 PolarHBondContact O-N 3.27Å; M354-V357 VanDerWaalsContact O-CG2 3.27Å; M354-V357 WeakPolarHBondContact O-CG2 3.41Å; M354-V357 PolarHBondContact O-N 3.06Å; M354-H358 PolarHBondContact O-N 3.29Å; M354-L359 HydrophobicContact CB-CB 4.08Å; M354-L359 HydrophobicContact CB-CD2 4Å; M354-L359 HydrophobicContact CG-CD2 3.81Å; M354-L359 WeakPolarHBondContact O-CB 2.94Å; M354-L359 PolarHBondContact O-N 2.88Å; M354-L359 HydrophobicContact SD-CD2 4.16Å; M354-F434 HydrophobicContact CE-CB 4.1Å; M354-F434 HydrophobicContact CE-CD1 3.84Å; M354-F434 HydrophobicContact CE-CG 4.2Å; M354-F434 HydrophobicContact CG-CB 4.19Å; M354-F434 HydrophobicContact CG-CD1 3.82Å; M354-F434 HydrophobicContact CG-CD2 4.03Å; M354-F434 HydrophobicContact CG-CE1 4.17Å; M354-F434 HydrophobicContact CG-CE2 4.36Å; M354-F434 HydrophobicContact CG-CG 3.74Å; M354-F434 HydrophobicContact CG-CZ 4.43Å |
| 355 | L | 98.3 | Very high | 98.6 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 176.2 | -72.5 | 170.6 | 0 | 0 | 0 | 112.1 | D334 K335 L338 V351 D353 V357 H358 | D334-L355 HydrophobicContact CB-CD2 4.07Å; K335-L355 HydrophobicContact CB-CD1 4.13Å; K335-L355 HydrophobicContact CB-CD2 4.43Å; K335-L355 HydrophobicContact CD-CD1 4.32Å; K335-L355 HydrophobicContact CG-CD1 4.29Å; L338-L355 HydrophobicContact CD1-CD2 3.77Å; L338-L355 HydrophobicContact CD1-CG 4.06Å; V351-L355 HydrophobicContact CG1-CD1 4.43Å; V351-L355 WeakPolarHBondContact O-CG 3.31Å; V351-L355 PolarHBondContact O-N 2.99Å; D353-L355 VanDerWaalsContact C-N 3.31Å; D353-L355 PolarHBondContact O-N 3.16Å; L355-V357 PolarHBondContact O-N 3.13Å; L355-H358 PolarHBondContact O-N 3.03Å |
| 356 | K | 98.3 | Very high | 98.6 | Very high | 146 Ų | 146 | 36.6 Ų | 36.6 | 64% | 0.635 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -63.7 | -28.7 | 177.8 | -67.5 | 168.1 | -163.4 | 161.3 | 0 | 113.1 | E352 D353 | E352-K356 WeakPolarHBondContact O-CG 3.35Å; E352-K356 PolarHBondContact O-N 2.65Å; D353-K356 PolarHBondContact O-N 3.44Å; D353-K356 IonicContact OD1-NZ 2.72Å; D353-K356 PolarHBondContact OD1-NZ 3.48Å |
| 357 | V | 98.5 | Very high | 98.6 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 12.6 | 176 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | D353 M354 L355 L359 A430 Q431 F434 | D353-V357 PolarHBondContact O-N 2.73Å; M354-V357 VanDerWaalsContact O-CG2 3.27Å; M354-V357 WeakPolarHBondContact O-CG2 3.41Å; M354-V357 PolarHBondContact O-N 3.06Å; L355-V357 PolarHBondContact O-N 3.13Å; V357-L359 VanDerWaalsContact C-N 3.25Å; V357-L359 HydrophobicContact CG2-CB 4.24Å; V357-L359 PolarHBondContact O-N 2.99Å; V357-A430 HydrophobicContact CG1-CB 4.14Å; V357-Q431 HydrophobicContact CB-CG 4.2Å; V357-Q431 HydrophobicContact CG2-CG 4.04Å; V357-Q431 PolarHBondContact O-NE2 2.96Å; V357-F434 HydrophobicContact CG2-CD2 4.23Å; V357-F434 HydrophobicContact CG2-CE2 3.85Å |
| 358 | H | 98.4 | Very high | 98.6 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 33.1 | 177.7 | -49.6 | -70 | 0 | 0 | 0 | 114.4 | M354 L355 G360 S361 E391 P392 | M354-H358 PolarHBondContact O-N 3.29Å; L355-H358 PolarHBondContact O-N 3.03Å; H358-G360 PolarHBondContact O-N 3.48Å; H358-S361 WeakPolarHBondContact O-CB 3.41Å; H358-S361 PolarHBondContact O-N 2.96Å; H358-S361 VanDerWaalsContact O-N 3.16Å; H358-S361 PolarHBondContact O-OG 3.46Å; H358-E391 IonicContact CE1-OE2 2.68Å; H358-P392 HydrophobicContact CB-CB 4.06Å; H358-P392 HydrophobicContact CB-CG 4.06Å |
| 359 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.2 | -175.7 | -170.7 | 59.1 | 0 | 0 | 0 | 112.8 | L338 L347 M354 V357 S361 V362 F363 Q431 F434 I435 | L338-L359 HydrophobicContact CD2-CB 4.1Å; L338-L359 HydrophobicContact CD2-CD2 4.2Å; L338-L359 HydrophobicContact CD2-CG 4.01Å; L347-L359 HydrophobicContact CD1-CD2 4.02Å; L347-L359 HydrophobicContact CD2-CD2 3.98Å; M354-L359 HydrophobicContact CB-CB 4.08Å; M354-L359 HydrophobicContact CB-CD2 4Å; M354-L359 HydrophobicContact CG-CD2 3.81Å; M354-L359 WeakPolarHBondContact O-CB 2.94Å; M354-L359 PolarHBondContact O-N 2.88Å; M354-L359 HydrophobicContact SD-CD2 4.16Å; V357-L359 VanDerWaalsContact C-N 3.25Å; V357-L359 HydrophobicContact CG2-CB 4.24Å; V357-L359 PolarHBondContact O-N 2.99Å; L359-S361 VanDerWaalsContact C-N 3.26Å; L359-S361 PolarHBondContact O-N 3.44Å; L359-V362 HydrophobicContact CD1-CB 4.41Å; L359-V362 HydrophobicContact CD1-CG2 4Å; L359-V362 VanDerWaalsContact O-CB 3.32Å; L359-V362 WeakPolarHBondContact O-CB 3.32Å; L359-V362 PolarHBondContact O-N 3.31Å; L359-V362 VanDerWaalsContact O-N 3.13Å; L359-F363 HydrophobicContact CG-CE2 4.4Å; L359-Q431 HydrophobicContact CD1-CB 4.11Å; L359-Q431 HydrophobicContact CD1-CG 4.28Å; L359-F434 HydrophobicContact CD2-CB 3.84Å; L359-F434 HydrophobicContact CD2-CD2 4.26Å; L359-F434 HydrophobicContact CD2-CG 4.35Å; L359-I435 HydrophobicContact CD1-CD1 4.35Å |
| 360 | G | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.4 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | H358 V362 F363 M364 | H358-G360 PolarHBondContact O-N 3.48Å; G360-V362 PolarHBondContact O-N 3.17Å; G360-V362 VanDerWaalsContact O-N 3.1Å; G360-F363 CarbonylContact O-C 3.59Å; G360-F363 PolarHBondContact O-N 2.93Å; G360-M364 PolarHBondContact O-N 3.36Å |
| 361 | S | 98.6 | Very high | 98.7 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -16.8 | 179.9 | 73.7 | 0 | 0 | 0 | 0 | 114.9 | H358 L359 F363 P365 P392 | H358-S361 WeakPolarHBondContact O-CB 3.41Å; H358-S361 PolarHBondContact O-N 2.96Å; H358-S361 VanDerWaalsContact O-N 3.16Å; H358-S361 PolarHBondContact O-OG 3.46Å; L359-S361 VanDerWaalsContact C-N 3.26Å; L359-S361 PolarHBondContact O-N 3.44Å; S361-F363 VanDerWaalsContact C-N 3.3Å; S361-P365 WeakPolarHBondContact O-CA 3.45Å; S361-P392 WeakPolarHBondContact OG-CB 3.47Å |
| 362 | V | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | L359 G360 L421 L422 A425 | L359-V362 HydrophobicContact CD1-CB 4.41Å; L359-V362 HydrophobicContact CD1-CG2 4Å; L359-V362 VanDerWaalsContact O-CB 3.32Å; L359-V362 WeakPolarHBondContact O-CB 3.32Å; L359-V362 PolarHBondContact O-N 3.31Å; L359-V362 VanDerWaalsContact O-N 3.13Å; G360-V362 PolarHBondContact O-N 3.17Å; G360-V362 VanDerWaalsContact O-N 3.1Å; V362-L421 HydrophobicContact CG1-CB 4.19Å; V362-L422 HydrophobicContact CG1-CD2 3.9Å; V362-A425 HydrophobicContact CG1-CB 3.98Å; V362-A425 HydrophobicContact CG2-CB 3.91Å |
| 363 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -100.5 | -24 | -178 | -61.4 | -77.8 | 0 | 0 | 0 | 113.1 | L341 I346 L347 L359 G360 S361 I415 Y416 F417 L422 | L341-F363 HydrophobicContact CD1-CB 4.27Å; L341-F363 HydrophobicContact CD1-CD1 3.94Å; L341-F363 HydrophobicContact CD1-CD2 3.69Å; L341-F363 HydrophobicContact CD1-CE1 4.17Å; L341-F363 HydrophobicContact CD1-CE2 3.94Å; L341-F363 HydrophobicContact CD1-CG 3.68Å; L341-F363 HydrophobicContact CD1-CZ 4.17Å; I346-F363 HydrophobicContact CG2-CZ 4.32Å; L347-F363 HydrophobicContact CD1-CE2 4.1Å; L347-F363 HydrophobicContact CD2-CE2 4.12Å; L347-F363 HydrophobicContact CD2-CZ 4.17Å; L347-F363 HydrophobicContact CG-CE2 4.49Å; L359-F363 HydrophobicContact CG-CE2 4.4Å; G360-F363 CarbonylContact O-C 3.59Å; G360-F363 PolarHBondContact O-N 2.93Å; S361-F363 VanDerWaalsContact C-N 3.3Å; F363-I415 HydrophobicContact CB-CG2 4.39Å; F363-I415 HydrophobicContact CD1-CG2 4.47Å; F363-I415 WeakPolarHBondContact O-CA 3.38Å; F363-Y416 VanDerWaalsContact O-CD2 3.24Å; F363-Y416 WeakPolarHBondContact O-CD2 3.26Å; F363-Y416 PolarHBondContact O-N 3.37Å; F363-F417 HydrophobicContact CE1-CD1 4.38Å; F363-F417 HydrophobicContact CE1-CE1 4.13Å; F363-L422 HydrophobicContact CD1-CD2 4.48Å; F363-L422 HydrophobicContact CE1-CD2 3.79Å; F363-L422 HydrophobicContact CZ-CD2 4.15Å |
| 364 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -131.4 | 82.7 | 173 | -168.2 | 174.9 | 60.7 | 0 | 0 | 110.2 | A333 D334 G360 H366 P413 G414 | A333-M364 HydrophobicContact CB-CE 4.02Å; D334-M364 WeakPolarHBondContact OD1-CE 3.46Å; G360-M364 PolarHBondContact O-N 3.36Å; M364-H366 VanDerWaalsContact C-N 3.34Å; M364-H366 PolarHBondContact O-N 2.91Å; M364-P413 HydrophobicContact SD-CB 4.15Å; M364-G414 VanDerWaalsContact CB-O 3.27Å; M364-G414 WeakPolarHBondContact CB-O 3.27Å; M364-G414 WeakPolarHBondContact CG-O 3.38Å | ||
| 365 | P | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 19.7 Ų | 19.7 | 18% | 0.175 | 10% | 0.102 | C | C | . | . | trans | -80.4 | -12.5 | -174.1 | 30.1 | -35.2 | 0 | 0 | 0 | 114.7 | L254 S361 S396 I418 L421 | L254-P365 HydrophobicContact CD1-CG 4.26Å; S361-P365 WeakPolarHBondContact O-CA 3.45Å; P365-S396 PolarHBondContact O-OG 3.4Å; P365-S396 VanDerWaalsContact O-OG 3.05Å; P365-I418 HydrophobicContact CG-CD1 3.77Å; P365-L421 HydrophobicContact CB-CD1 3.73Å; P365-L421 HydrophobicContact CG-CD1 3.81Å | ||
| 366 | H | 98.8 | Very high | 98.8 | Very high | 22 Ų | 22 | 18.8 Ų | 18.8 | 10% | 0.102 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -93.8 | 168.8 | 177.2 | 64 | 93.5 | 0 | 0 | 0 | 112 | L254 H330 M364 E412 Y416 | L254-H366 HydrophobicContact CD1-CB 3.9Å; H330-H366 PolarHBondContact CE1-O 3.22Å; H330-H366 VanDerWaalsContact CE1-O 3.26Å; M364-H366 VanDerWaalsContact C-N 3.34Å; M364-H366 PolarHBondContact O-N 2.91Å; H366-E412 PolarHBondContact CE1-O 3.21Å; H366-E412 VanDerWaalsContact CE1-O 3.27Å; H366-E412 IonicContact CE1-OE2 3.73Å; H366-E412 IonicContact ND1-OE2 3.62Å; H366-Y416 AromaticContact CD2-CE2 3.5Å; H366-Y416 AromaticContact CD2-CZ 3.9Å; H366-Y416 AromaticContact NE2-CE2 3.16Å; H366-Y416 WeakPolarHBondContact NE2-CE2 3.38Å; H366-Y416 AromaticContact NE2-CZ 3.38Å; H366-Y416 PolarHBondContact NE2-OH 2.69Å |
| 367 | G | 98.7 | Very high | 98.8 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 7% | 0.072 | 8% | 0.079 | C | C | . | . | trans | -66.1 | 153.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | G369 | G367-G369 PolarHBondContact O-N 3.21Š| ||
| 368 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -63 | -22.9 | 179.4 | 171.7 | 63.6 | 0 | 0 | 0 | 113.7 | V316 W326 M329 H330 A333 L397 E412 P413 | V316-L368 HydrophobicContact CG1-CD2 3.95Å; V316-L368 HydrophobicContact CG2-CD1 4.28Å; V316-L368 HydrophobicContact CG2-CD2 3.87Å; W326-L368 HydrophobicContact CH2-CD2 4.36Å; W326-L368 HydrophobicContact CH2-CG 4.47Å; W326-L368 HydrophobicContact CZ2-CB 4.47Å; W326-L368 HydrophobicContact CZ2-CD2 4.29Å; W326-L368 HydrophobicContact CZ2-CG 4.13Å; M329-L368 HydrophobicContact CB-CD2 3.54Å; M329-L368 WeakPolarHBondContact O-CD2 3.16Å; H330-L368 HydrophobicContact CB-CB 3.94Å; H330-L368 HydrophobicContact CB-CD2 4.42Å; H330-L368 PolarHBondContact ND1-N 3.41Å; A333-L368 HydrophobicContact CB-CD1 3.86Å; L368-L397 HydrophobicContact CB-CD2 4.24Å; L368-E412 WeakPolarHBondContact O-CG 3.41Å; L368-E412 PolarHBondContact O-N 3.01Å; L368-P413 HydrophobicContact CD1-CB 3.89Å; L368-P413 HydrophobicContact CD1-CG 4.28Å |
| 369 | G | 98.7 | Very high | 98.8 | Very high | 2 Ų | 2 | 10 Ų | 10 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | trans | 162.9 | 180 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | W326 G367 T410 E412 | W326-G369 PolarHBondContact NE1-O 3.44Å; G367-G369 PolarHBondContact O-N 3.21Å; G369-T410 WeakPolarHBondContact CA-O 3.5Å; G369-T410 VanDerWaalsContact CA-OG1 3.25Å; G369-T410 WeakPolarHBondContact CA-OG1 3.37Å; G369-E412 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 370 | H | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 10.3 Ų | 10.3 | 1% | 0.014 | 6% | 0.061 | C | C | . | . | trans | -146.9 | 169 | -168.3 | 53.5 | 81.6 | 0 | 0 | 0 | 112 | D287 V376 H377 R398 L409 T410 E412 | D287-H370 IonicContact OD2-CE1 3.29Å; D287-H370 PolarHBondContact OD2-CE1 2.86Å; D287-H370 IonicContact OD2-NE2 2.73Å; D287-H370 PolarHBondContact OD2-NE2 2.92Å; H370-V376 PolarHBondContact CE1-O 3.45Å; H370-V376 PolarHBondContact ND1-O 3.45Å; H370-V376 VanDerWaalsContact ND1-O 3.09Å; H370-H377 AromaticContact CD2-CD2 3.47Å; H370-H377 PolarHBondContact CD2-CD2 2.87Å; H370-H377 VanDerWaalsContact CD2-CD2 3.47Å; H370-H377 AromaticContact CD2-NE2 3.76Å; H370-H377 AromaticContact CE1-CD2 3.53Å; H370-H377 AromaticContact CG-CD2 3.56Å; H370-H377 AromaticContact ND1-CD2 3.6Å; H370-H377 AromaticContact NE2-CD2 3.42Å; H370-H377 PolarHBondContact NE2-CD2 2.84Å; H370-H377 AromaticContact NE2-NE2 3.64Å; H370-R398 HydrophobicContact CB-CB 3.62Å; H370-R398 HydrophobicContact CB-CG 4.01Å; H370-L409 CarbonylContact O-C 3.44Å; H370-L409 WeakPolarHBondContact O-CA 3.44Å; H370-T410 PolarHBondContact CD2-OG1 3.33Å; H370-T410 VanDerWaalsContact CD2-OG1 3.25Å; H370-T410 WeakPolarHBondContact CE1-CG2 3.38Å; H370-T410 PolarHBondContact N-OG1 3.21Å; H370-T410 PolarHBondContact NE2-OG1 3.38Å; H370-T410 PolarHBondContact O-N 2.96Å; H370-E412 IonicContact CD2-OE1 2.93Å; H370-E412 PolarHBondContact CD2-OE1 3.03Å; H370-E412 IonicContact NE2-OE1 3.79Å; H370-E412 PolarHBondContact NE2-OE1 3.05Å | ||
| 371 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 145 | 170.6 | -67 | 161.7 | 0 | 0 | 0 | 109.5 | L185 D378 V379 M399 M407 V408 L409 | L185-L371 HydrophobicContact CD1-CD1 3.37Å; L185-L371 HydrophobicContact CD1-CD2 3.61Å; L185-L371 HydrophobicContact CD1-CG 4.14Å; L371-D378 HydrophobicContact CB-CB 3.92Å; L371-D378 PolarHBondContact O-N 3.2Å; L371-V379 WeakPolarHBondContact CD1-O 3.45Å; L371-M399 HydrophobicContact CD1-CG 4.29Å; L371-M399 HydrophobicContact CG-CG 4.26Å; L371-M407 HydrophobicContact CD2-CB 4.29Å; L371-M407 HydrophobicContact CD2-CG 4.22Å; L371-M407 HydrophobicContact CD2-SD 4.34Å; L371-V408 WeakPolarHBondContact CA-O 3.39Å; L371-L409 HydrophobicContact CD2-CD2 3.68Å; L371-L409 HydrophobicContact CD2-CG 4.46Å; L371-L409 HydrophobicContact CG-CD2 4.12Å |
| 372 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -130.2 | 142.7 | 177.8 | 176.7 | 68.9 | 0 | 0 | 0 | 110.2 | K187 D287 V376 V408 D454 | K187-L372 WeakPolarHBondContact CE-O 3.42Å; K187-L372 PolarHBondContact NZ-O 3.28Å; D287-L372 HydrophobicContact CB-CD1 4.36Å; L372-V376 HydrophobicContact CD1-CG2 4.31Å; L372-V376 WeakPolarHBondContact CD1-O 3Å; L372-V408 HydrophobicContact CB-CG1 4.08Å; L372-V408 HydrophobicContact CD2-CG1 4.28Å; L372-V408 HydrophobicContact CG-CG1 4.43Å; L372-V408 PolarHBondContact N-O 3.03Å; L372-V408 WeakPolarHBondContact O-CB 3.32Å; L372-D454 HydrophobicContact CD2-CB 4.11Å; L372-D454 WeakPolarHBondContact CD2-OD1 3.39Å; L372-D454 WeakPolarHBondContact CD2-OD2 3.47Å | ||
| 373 | G | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -172.6 | -119.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S285 D375 D378 | S285-G373 WeakPolarHBondContact CB-O 3.07Å; S285-G373 PolarHBondContact N-O 2.91Å; G373-D375 PolarHBondContact N-O 3.41Å; G373-D375 VanDerWaalsContact N-O 3.12Å; G373-D378 WeakPolarHBondContact CA-OD2 3.35Å |
| 374 | I | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -67.9 | -43.5 | 172.7 | -70.3 | 164.3 | 0 | 0 | 0 | 109.8 | R66 W73 C283 Y284 S285 | R66-I374 PolarHBondContact NH2-O 3.12Å; R66-I374 VanDerWaalsContact NH2-O 3.09Å; W73-I374 HydrophobicContact CB-CD1 3.43Å; W73-I374 VanDerWaalsContact CB-CD1 3.43Å; W73-I374 HydrophobicContact CG-CD1 3.94Å; C283-I374 HydrophobicContact CB-CG2 4.21Å; C283-I374 CarbonylContact O-C 3.28Å; C283-I374 VanDerWaalsContact O-CA 3.24Å; C283-I374 WeakPolarHBondContact O-CA 3.39Å; C283-I374 WeakPolarHBondContact O-CG2 3.47Å; Y284-I374 HydrophobicContact CD1-CG1 4.13Å; Y284-I374 HydrophobicContact CE1-CD1 4.45Å; Y284-I374 HydrophobicContact CE1-CG1 3.81Å; Y284-I374 HydrophobicContact CE2-CG1 4.33Å; S285-I374 PolarHBondContact OG-O 2.96Å |
| 375 | D | 98.9 | Very high | 98.4 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -92.9 | 147 | 170.9 | -56.5 | -48.7 | 0 | 0 | 0 | 109.6 | R66 S69 R184 G373 | R66-D375 IonicContact NH2-OD1 2.67Å; S69-D375 WeakPolarHBondContact CB-OD1 3.24Å; S69-D375 WeakPolarHBondContact CB-OD2 3.48Å; S69-D375 VanDerWaalsContact OG-CG 3.32Å; S69-D375 PolarHBondContact OG-OD1 3.29Å; S69-D375 PolarHBondContact OG-OD2 2.88Å; R184-D375 IonicContact CZ-OD2 3.95Å; R184-D375 IonicContact NH1-OD2 3.42Å; R184-D375 PolarHBondContact NH1-OD2 2.92Å; R184-D375 IonicContact NH2-OD2 3.58Å; R184-D375 PolarHBondContact NH2-OD2 3.45Å; G373-D375 PolarHBondContact N-O 3.41Å; G373-D375 VanDerWaalsContact N-O 3.12Å |
| 376 | V | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 13% | 0.133 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -60.8 | -51.2 | 175.6 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | Y241 D287 H370 L372 D378 | Y241-V376 HydrophobicContact CD1-CB 4.19Å; Y241-V376 HydrophobicContact CD1-CG1 4.36Å; Y241-V376 HydrophobicContact CD1-CG2 3.69Å; Y241-V376 HydrophobicContact CE1-CG2 3.96Å; D287-V376 HydrophobicContact CB-CG2 4.01Å; D287-V376 WeakPolarHBondContact OD2-CG2 3.26Å; H370-V376 PolarHBondContact CE1-O 3.45Å; H370-V376 PolarHBondContact ND1-O 3.45Å; H370-V376 VanDerWaalsContact ND1-O 3.09Å; L372-V376 HydrophobicContact CD1-CG2 4.31Å; L372-V376 WeakPolarHBondContact CD1-O 3Å; V376-D378 PolarHBondContact O-N 3.18Å |
| 377 | H | 98.8 | Very high | 98.1 | Very high | 50 Ų | 50 | 31.6 Ų | 31.6 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -90.7 | 87.5 | 163.4 | -62.6 | 141.9 | 0 | 0 | 0 | 108.4 | H370 R398 | H370-H377 AromaticContact CD2-CD2 3.47Å; H370-H377 PolarHBondContact CD2-CD2 2.87Å; H370-H377 VanDerWaalsContact CD2-CD2 3.47Å; H370-H377 AromaticContact CD2-NE2 3.76Å; H370-H377 AromaticContact CE1-CD2 3.53Å; H370-H377 AromaticContact CG-CD2 3.56Å; H370-H377 AromaticContact ND1-CD2 3.6Å; H370-H377 AromaticContact NE2-CD2 3.42Å; H370-H377 PolarHBondContact NE2-CD2 2.84Å; H370-H377 AromaticContact NE2-NE2 3.64Å; H377-R398 WeakPolarHBondContact CD2-CD 3.39Å; H377-R398 PolarHBondContact CD2-NE 3.38Å; H377-R398 PolarHBondContact CE1-NE 3.31Å; H377-R398 PolarHBondContact CE1-NH2 3.28Å; H377-R398 PolarHBondContact NE2-NE 3.09Å |
| 378 | D | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -73.6 | 157 | -172.9 | -158.1 | 18.3 | 0 | 0 | 0 | 113.1 | R184 K187 L371 G373 V376 | R184-D378 IonicContact CZ-OD1 2.75Å; R184-D378 IonicContact NE-OD1 2.69Å; R184-D378 IonicContact NH2-OD1 3.6Å; R184-D378 PolarHBondContact NH2-OD1 3.16Å; K187-D378 IonicContact NZ-OD2 3.26Å; K187-D378 PolarHBondContact NZ-OD2 2.57Å; L371-D378 HydrophobicContact CB-CB 3.92Å; L371-D378 PolarHBondContact O-N 3.2Å; G373-D378 WeakPolarHBondContact CA-OD2 3.35Å; V376-D378 PolarHBondContact O-N 3.18Å | ||
| 379 | V | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -71.6 | 157.8 | -172.6 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | F70 V181 R184 L371 | F70-V379 HydrophobicContact CE1-CG2 4.24Å; F70-V379 HydrophobicContact CE2-CG1 4.36Å; F70-V379 HydrophobicContact CZ-CB 4.39Å; F70-V379 HydrophobicContact CZ-CG1 3.89Å; F70-V379 HydrophobicContact CZ-CG2 4.16Å; V181-V379 HydrophobicContact CB-CG2 4.35Å; V181-V379 HydrophobicContact CG1-CB 4.2Å; V181-V379 HydrophobicContact CG1-CG2 4.07Å; V181-V379 HydrophobicContact CG2-CB 4.23Å; V181-V379 HydrophobicContact CG2-CG2 4.09Å; R184-V379 HydrophobicContact CB-CG2 3.92Å; L371-V379 WeakPolarHBondContact CD1-O 3.45Å |
| 380 | G | 98.2 | Very high | 98 | Very high | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | trans | 95.6 | 13.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y382 R401 | G380-Y382 PolarHBondContact O-N 3.46Å; G380-R401 WeakPolarHBondContact O-CD 3.06Å; G380-R401 PolarHBondContact O-NH1 3.41Å | ||
| 381 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -66.6 | -31.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R398 G400 R401 | G381-R398 VanDerWaalsContact CA-O 3.29Å; G381-R398 WeakPolarHBondContact CA-O 3.43Å; G381-G400 PolarHBondContact O-N 2.9Å; G381-R401 WeakPolarHBondContact O-CG 3.29Å |
| 382 | Y | 98.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -134.2 | 76.3 | 179.6 | -68.4 | -84 | 0 | 0 | 0 | 110.8 | G380 V386 R388 L397 R398 | G380-Y382 PolarHBondContact O-N 3.46Å; Y382-V386 HydrophobicContact CD1-CG1 3.98Å; Y382-V386 HydrophobicContact CE1-CG1 4.45Å; Y382-R388 HydrophobicContact CD1-CB 4.35Å; Y382-R388 HydrophobicContact CE1-CB 3.84Å; Y382-R388 HydrophobicContact CE1-CG 4.32Å; Y382-R388 VanDerWaalsContact CE2-CZ 3.45Å; Y382-L397 WeakPolarHBondContact CE2-O 3.48Å; Y382-L397 PolarHBondContact OH-O 3.38Å; Y382-R398 VanDerWaalsContact CE2-C 3.47Å |
| 383 | P | 96.9 | Very high | 97.9 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | trans | -67.7 | 171.3 | 170.4 | 35.7 | -41.1 | 0 | 0 | 0 | 110.6 | G385 V386 | P383-G385 PolarHBondContact O-N 2.85Å; P383-V386 HydrophobicContact CG-CB 4.13Å; P383-V386 HydrophobicContact CG-CG2 3.67Å; P383-V386 PolarHBondContact O-N 2.9Å; P383-V386 VanDerWaalsContact O-N 3.09Å | ||
| 384 | E | 94.9 | Very high | 97.9 | Very high | 201 Ų | 201 | 50.7 Ų | 50.7 | 94% | 0.939 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134.2 | 172.1 | -173.1 | 176.6 | -174 | 0 | 0 | 111.5 | ||
| 385 | G | 96.2 | Very high | 97.8 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 77% | 0.773 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 0.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P383 | P383-G385 PolarHBondContact O-N 2.85Š|
| 386 | V | 96.9 | Very high | 97.8 | Very high | 39 Ų | 39 | 56 Ų | 56 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | trans | -113.1 | 108.8 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | Y382 P383 G400 R401 | Y382-V386 HydrophobicContact CD1-CG1 3.98Å; Y382-V386 HydrophobicContact CE1-CG1 4.45Å; P383-V386 HydrophobicContact CG-CB 4.13Å; P383-V386 HydrophobicContact CG-CG2 3.67Å; P383-V386 PolarHBondContact O-N 2.9Å; P383-V386 VanDerWaalsContact O-N 3.09Å; V386-G400 WeakPolarHBondContact CG1-O 3.28Å; V386-R401 HydrophobicContact CG1-CG 4.33Å; V386-R401 HydrophobicContact CG2-CG 4.48Å | ||
| 387 | D | 95.8 | Very high | 97.8 | Very high | 143 Ų | 143 | 55 Ų | 55 | 77% | 0.765 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 148.5 | -178.6 | -64.9 | -43.8 | 0 | 0 | 0 | 112.7 | ||
| 388 | R | 97.7 | Very high | 97.8 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 130 | 171.4 | -173.3 | 179.8 | -69.5 | -82.3 | -2.1 | 109.6 | T152 Y382 D390 K395 L397 | T152-R388 PolarHBondContact O-NH2 3.32Å; Y382-R388 HydrophobicContact CD1-CB 4.35Å; Y382-R388 HydrophobicContact CE1-CB 3.84Å; Y382-R388 HydrophobicContact CE1-CG 4.32Å; Y382-R388 VanDerWaalsContact CE2-CZ 3.45Å; R388-D390 PolarHBondContact O-N 3.2Å; R388-K395 WeakPolarHBondContact CD-O 3.24Å; R388-K395 PolarHBondContact NH1-O 3.22Å; R388-L397 PolarHBondContact NH1-O 3.3Å |
| 389 | I | 98.1 | Very high | 97.8 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 123.1 | 178.2 | -59.7 | -179.5 | 0 | 0 | 0 | 109 | T327 E391 L394 K395 | T327-I389 HydrophobicContact CG2-CD1 3.6Å; I389-E391 HydrophobicContact CG2-CB 3.9Å; I389-E391 HydrophobicContact CG2-CG 3.76Å; I389-E391 PolarHBondContact O-N 3.32Å; I389-E391 VanDerWaalsContact O-N 3.1Å; I389-L394 HydrophobicContact CB-CB 4.22Å; I389-L394 HydrophobicContact CD1-CD1 4.38Å; I389-L394 HydrophobicContact CG2-CB 4.19Å; I389-L394 HydrophobicContact CG2-CD1 4.08Å; I389-K395 WeakPolarHBondContact O-CA 3.26Å; I389-K395 WeakPolarHBondContact O-CB 3.15Å; I389-K395 PolarHBondContact O-N 3.12Å |
| 390 | D | 97.9 | Very high | 97.7 | Very high | 144 Ų | 144 | 56.2 Ų | 56.2 | 77% | 0.77 | 31% | 0.309 | S | S | * | . | trans | -86.7 | 58.4 | 176.8 | -167.7 | 27.5 | 0 | 0 | 0 | 112 | R388 | R388-D390 PolarHBondContact O-N 3.2Š| ||
| 391 | E | 98.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -117.1 | 148.4 | 171.5 | -73 | 171.4 | -153.3 | 0 | 0 | 109 | R331 H358 I389 G393 L394 K395 | R331-E391 IonicContact CZ-OE2 3.71Å; R331-E391 IonicContact NH2-OE1 3.12Å; R331-E391 IonicContact NH2-OE2 3.47Å; R331-E391 PolarHBondContact NH2-OE2 3.12Å; H358-E391 IonicContact CE1-OE2 2.68Å; I389-E391 HydrophobicContact CG2-CB 3.9Å; I389-E391 HydrophobicContact CG2-CG 3.76Å; I389-E391 PolarHBondContact O-N 3.32Å; I389-E391 VanDerWaalsContact O-N 3.1Å; E391-G393 PolarHBondContact O-N 2.74Å; E391-L394 HydrophobicContact CB-CB 4.23Å; E391-L394 HydrophobicContact CB-CD1 4.15Å; E391-L394 PolarHBondContact O-N 2.88Å; E391-L394 VanDerWaalsContact OE2-CD1 3.28Å; E391-L394 WeakPolarHBondContact OE2-CD1 3.38Å; E391-K395 WeakPolarHBondContact O-CB 3.16Å; E391-K395 WeakPolarHBondContact O-CG 3.28Å; E391-K395 PolarHBondContact O-N 3.2Å |
| 392 | P | 98.4 | Very high | 97.6 | Very high | 55 Ų | 55 | 61.4 Ų | 61.4 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 139.1 | 171.9 | -25.9 | 35.5 | 0 | 0 | 0 | 112.2 | H358 S361 L394 | H358-P392 HydrophobicContact CB-CB 4.06Å; H358-P392 HydrophobicContact CB-CG 4.06Å; S361-P392 WeakPolarHBondContact OG-CB 3.47Å; P392-L394 PolarHBondContact O-N 3.46Å |
| 393 | G | 97.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -64 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E391 K395 S396 | E391-G393 PolarHBondContact O-N 2.74Å; G393-K395 VanDerWaalsContact C-N 3.3Å; G393-K395 PolarHBondContact O-N 3.35Å; G393-S396 VanDerWaalsContact O-CB 3.28Å; G393-S396 WeakPolarHBondContact O-CB 3.38Å; G393-S396 PolarHBondContact O-N 3.49Å |
| 394 | L | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -61.3 | -32.2 | -174.9 | -68.4 | 175.1 | 0 | 0 | 0 | 114.4 | T327 H330 R331 I389 E391 P392 S396 L397 | T327-L394 HydrophobicContact CG2-CD2 4.47Å; H330-L394 HydrophobicContact CB-CD2 3.81Å; H330-L394 WeakPolarHBondContact CD2-CD2 3.33Å; R331-L394 VanDerWaalsContact CZ-CD1 3.45Å; I389-L394 HydrophobicContact CB-CB 4.22Å; I389-L394 HydrophobicContact CD1-CD1 4.38Å; I389-L394 HydrophobicContact CG2-CB 4.19Å; I389-L394 HydrophobicContact CG2-CD1 4.08Å; E391-L394 HydrophobicContact CB-CB 4.23Å; E391-L394 HydrophobicContact CB-CD1 4.15Å; E391-L394 PolarHBondContact O-N 2.88Å; E391-L394 VanDerWaalsContact OE2-CD1 3.28Å; E391-L394 WeakPolarHBondContact OE2-CD1 3.38Å; P392-L394 PolarHBondContact O-N 3.46Å; L394-S396 PolarHBondContact O-N 2.99Å; L394-S396 VanDerWaalsContact O-N 3.17Å; L394-L397 HydrophobicContact CB-CD1 4.46Å; L394-L397 HydrophobicContact CD2-CD1 3.48Å; L394-L397 VanDerWaalsContact CD2-CD1 3.48Å; L394-L397 HydrophobicContact CD2-CG 4.42Å; L394-L397 WeakPolarHBondContact O-CB 2.86Å; L394-L397 PolarHBondContact O-N 3.12Å |
| 395 | K | 98.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 57.4 Ų | 57.4 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -61.3 | -22.4 | 174.7 | 70.2 | -176.2 | -178.1 | -179.7 | 0 | 113.3 | R388 I389 E391 G393 | R388-K395 WeakPolarHBondContact CD-O 3.24Å; R388-K395 PolarHBondContact NH1-O 3.22Å; I389-K395 WeakPolarHBondContact O-CA 3.26Å; I389-K395 WeakPolarHBondContact O-CB 3.15Å; I389-K395 PolarHBondContact O-N 3.12Å; E391-K395 WeakPolarHBondContact O-CB 3.16Å; E391-K395 WeakPolarHBondContact O-CG 3.28Å; E391-K395 PolarHBondContact O-N 3.2Å; G393-K395 VanDerWaalsContact C-N 3.3Å; G393-K395 PolarHBondContact O-N 3.35Å |
| 396 | S | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -87.8 | -5.4 | 177.8 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | P365 G393 L394 | P365-S396 PolarHBondContact O-OG 3.4Å; P365-S396 VanDerWaalsContact O-OG 3.05Å; G393-S396 VanDerWaalsContact O-CB 3.28Å; G393-S396 WeakPolarHBondContact O-CB 3.38Å; G393-S396 PolarHBondContact O-N 3.49Å; L394-S396 PolarHBondContact O-N 2.99Å; L394-S396 VanDerWaalsContact O-N 3.17Å |
| 397 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | trans | -61.1 | 140.1 | 174.4 | -77.8 | 171 | 0 | 0 | 0 | 110.7 | T327 H330 L368 Y382 R388 L394 M399 | T327-L397 HydrophobicContact CG2-CD1 3.73Å; H330-L397 HydrophobicContact CB-CD1 4.14Å; H330-L397 HydrophobicContact CB-CD2 4.19Å; L368-L397 HydrophobicContact CB-CD2 4.24Å; Y382-L397 WeakPolarHBondContact CE2-O 3.48Å; Y382-L397 PolarHBondContact OH-O 3.38Å; R388-L397 PolarHBondContact NH1-O 3.3Å; L394-L397 HydrophobicContact CB-CD1 4.46Å; L394-L397 HydrophobicContact CD2-CD1 3.48Å; L394-L397 VanDerWaalsContact CD2-CD1 3.48Å; L394-L397 HydrophobicContact CD2-CG 4.42Å; L394-L397 WeakPolarHBondContact O-CB 2.86Å; L394-L397 PolarHBondContact O-N 3.12Å; L397-M399 VanDerWaalsContact C-N 3.35Å | ||
| 398 | R | 98.7 | Very high | 98.2 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -94.3 | 3.7 | 176.5 | -53.6 | -169.8 | -179.5 | -76.6 | 0.9 | 113.1 | D153 H370 H377 G381 Y382 | D153-R398 WeakPolarHBondContact OD1-CB 3.29Å; D153-R398 VanDerWaalsContact OD1-CD 3.29Å; D153-R398 WeakPolarHBondContact OD1-CD 3.41Å; D153-R398 VanDerWaalsContact OD1-CG 3.27Å; D153-R398 WeakPolarHBondContact OD1-CG 3.36Å; D153-R398 IonicContact OD1-CZ 3.54Å; D153-R398 IonicContact OD1-NE 2.69Å; D153-R398 IonicContact OD1-NH1 2.67Å; D153-R398 PolarHBondContact OD1-NH1 3.25Å; H370-R398 HydrophobicContact CB-CB 3.62Å; H370-R398 HydrophobicContact CB-CG 4.01Å; H377-R398 WeakPolarHBondContact CD2-CD 3.39Å; H377-R398 PolarHBondContact CD2-NE 3.38Å; H377-R398 PolarHBondContact CE1-NE 3.31Å; H377-R398 PolarHBondContact CE1-NH2 3.28Å; H377-R398 PolarHBondContact NE2-NE 3.09Å; G381-R398 VanDerWaalsContact CA-O 3.29Å; G381-R398 WeakPolarHBondContact CA-O 3.43Å; Y382-R398 VanDerWaalsContact CE2-C 3.47Å |
| 399 | M | 97.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -146 | 122.1 | -178.8 | -170.3 | -94.4 | -139.6 | 0 | 0 | 110.4 | W326 L371 L397 R401 V403 M407 L409 | W326-M399 HydrophobicContact CB-CE 4.47Å; W326-M399 HydrophobicContact CB-SD 3.5Å; W326-M399 VanDerWaalsContact CB-SD 3.5Å; W326-M399 HydrophobicContact CG-SD 3.84Å; L371-M399 HydrophobicContact CD1-CG 4.29Å; L371-M399 HydrophobicContact CG-CG 4.26Å; L397-M399 VanDerWaalsContact C-N 3.35Å; M399-R401 HydrophobicContact CE-CB 3.9Å; M399-R401 HydrophobicContact CG-CB 4.29Å; M399-R401 HydrophobicContact CG-CG 4.33Å; M399-R401 HydrophobicContact SD-CB 3.68Å; M399-R401 HydrophobicContact SD-CG 4.34Å; M399-R401 PolarHBondContact SD-N 3.26Å; M399-V403 HydrophobicContact CE-CG2 4.38Å; M399-M407 HydrophobicContact CE-CE 3.99Å; M399-M407 HydrophobicContact CE-SD 3.48Å; M399-M407 WeakPolarHBondContact CE-SD 3.38Å; M399-L409 HydrophobicContact CE-CD2 4.26Å | ||
| 400 | G | 96.9 | Very high | 98.3 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | trans | -102.2 | 9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G381 V386 | G381-G400 PolarHBondContact O-N 2.9Å; V386-G400 WeakPolarHBondContact CG1-O 3.28Å | ||
| 401 | R | 96.9 | Very high | 98.3 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -93.5 | 170.4 | -165.9 | -52.6 | 177.5 | 74.1 | 143.4 | 0.1 | 112.4 | E182 W326 G380 G381 V386 M399 | E182-R401 IonicContact OE1-CZ 3.69Å; E182-R401 IonicContact OE1-NH1 3.49Å; E182-R401 PolarHBondContact OE1-NH1 2.87Å; E182-R401 IonicContact OE1-NH2 2.68Å; E182-R401 PolarHBondContact OE1-NH2 3.48Å; E182-R401 IonicContact OE2-CZ 2.69Å; E182-R401 IonicContact OE2-NH1 3.86Å; E182-R401 IonicContact OE2-NH2 2.64Å; E182-R401 PolarHBondContact OE2-NH2 3.01Å; W326-R401 PolarHBondContact N-O 3.28Å; G380-R401 WeakPolarHBondContact O-CD 3.06Å; G380-R401 PolarHBondContact O-NH1 3.41Å; G381-R401 WeakPolarHBondContact O-CG 3.29Å; V386-R401 HydrophobicContact CG1-CG 4.33Å; V386-R401 HydrophobicContact CG2-CG 4.48Å; M399-R401 HydrophobicContact CE-CB 3.9Å; M399-R401 HydrophobicContact CG-CB 4.29Å; M399-R401 HydrophobicContact CG-CG 4.33Å; M399-R401 HydrophobicContact SD-CB 3.68Å; M399-R401 HydrophobicContact SD-CG 4.34Å; M399-R401 PolarHBondContact SD-N 3.26Å |
| 402 | L | 98.3 | Very high | 98.4 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | B | Isolated β-bridge | trans | -70.1 | 140.2 | 155.8 | -58.9 | -178.5 | 0 | 0 | 0 | 109 | V324 K325 | V324-L402 WeakPolarHBondContact O-CA 3.18Å; K325-L402 HydrophobicContact CB-CD2 4.28Å; K325-L402 HydrophobicContact CG-CD2 3.43Å; K325-L402 VanDerWaalsContact CG-CD2 3.43Å |
| 403 | V | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 133.4 | 171 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | L320 P322 G323 V324 W326 M399 L409 V457 | L320-V403 HydrophobicContact CD2-CG1 4.4Å; L320-V403 HydrophobicContact CD2-CG2 4.11Å; P322-V403 CarbonylContact C-O 3.56Å; P322-V403 WeakPolarHBondContact CA-O 3.48Å; G323-V403 PolarHBondContact N-O 2.94Å; V324-V403 HydrophobicContact CG2-CB 3.84Å; V324-V403 HydrophobicContact CG2-CG2 3.65Å; V324-V403 PolarHBondContact O-N 3.43Å; W326-V403 HydrophobicContact CE3-CG2 3.92Å; M399-V403 HydrophobicContact CE-CG2 4.38Å; V403-L409 HydrophobicContact CG1-CD1 4.28Å; V403-L409 HydrophobicContact CG2-CD1 4.29Å; V403-V457 HydrophobicContact CG1-CB 4.29Å; V403-V457 HydrophobicContact CG1-CG1 3.77Å; V403-V457 HydrophobicContact CG1-CG2 3.57Å |
| 404 | Q | 98.4 | Very high | 98.5 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 37% | 0.374 | 15% | 0.148 | S | C | . | . | trans | -125.7 | 153.7 | 179.9 | -64.7 | 178.1 | 71.1 | 0 | 0 | 109.7 | M407 V457 | Q404-M407 HydrophobicContact CB-CE 3.76Å; Q404-M407 HydrophobicContact CB-CG 4.23Å; Q404-M407 HydrophobicContact CB-SD 4.01Å; Q404-M407 HydrophobicContact CG-CE 3.84Å; Q404-M407 PolarHBondContact N-SD 3.17Å; Q404-M407 WeakPolarHBondContact O-CB 3.42Å; Q404-M407 WeakPolarHBondContact O-CG 3.48Å; Q404-M407 PolarHBondContact O-N 3.23Å; Q404-V457 VanDerWaalsContact O-CB 3.31Å; Q404-V457 WeakPolarHBondContact O-CB 3.47Å; Q404-V457 WeakPolarHBondContact O-CG1 3.34Å | ||
| 405 | E | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 30.4 Ų | 30.4 | 45% | 0.453 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 144.3 | 172.4 | -168.7 | 178.8 | -172.2 | 0 | 0 | 110.7 | P322 M407 A459 | P322-E405 HydrophobicContact CG-CB 4.23Å; E405-M407 PolarHBondContact O-N 2.93Å; E405-A459 PolarHBondContact OE1-N 3.37Å |
| 406 | R | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 25.4 Ų | 25.4 | 31% | 0.313 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 2.9 | -178.5 | -39 | -174.3 | 72.5 | 119.3 | 12.6 | 115.7 | C186 K187 D189 V457 | C186-R406 HydrophobicContact CB-CB 4.14Å; K187-R406 PolarHBondContact N-O 2.99Å; K187-R406 PolarHBondContact O-NE 3.34Å; K187-R406 PolarHBondContact O-NH2 3.22Å; K187-R406 VanDerWaalsContact O-NH2 3.12Å; D189-R406 VanDerWaalsContact CG-NH2 3.29Å; D189-R406 IonicContact OD1-CZ 3.88Å; D189-R406 IonicContact OD1-NH1 2.84Å; D189-R406 IonicContact OD1-NH2 3.21Å; D189-R406 PolarHBondContact OD1-NH2 3.43Å; D189-R406 IonicContact OD2-NH2 2.94Å; R406-V457 PolarHBondContact N-O 3Å |
| 407 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -65.3 | 143.3 | 161 | -72.3 | 178.5 | 173.5 | 0 | 0 | 109.3 | L185 L371 M399 Q404 E405 L409 V457 | L185-M407 HydrophobicContact CD1-CE 3.89Å; L185-M407 HydrophobicContact CD1-CG 4.36Å; L185-M407 HydrophobicContact CD2-CE 3.62Å; L185-M407 HydrophobicContact CG-CE 3.86Å; L185-M407 HydrophobicContact CG-CG 4.26Å; L371-M407 HydrophobicContact CD2-CB 4.29Å; L371-M407 HydrophobicContact CD2-CG 4.22Å; L371-M407 HydrophobicContact CD2-SD 4.34Å; M399-M407 HydrophobicContact CE-CE 3.99Å; M399-M407 HydrophobicContact CE-SD 3.48Å; M399-M407 WeakPolarHBondContact CE-SD 3.38Å; Q404-M407 HydrophobicContact CB-CE 3.76Å; Q404-M407 HydrophobicContact CB-CG 4.23Å; Q404-M407 HydrophobicContact CB-SD 4.01Å; Q404-M407 HydrophobicContact CG-CE 3.84Å; Q404-M407 PolarHBondContact N-SD 3.17Å; Q404-M407 WeakPolarHBondContact O-CB 3.42Å; Q404-M407 WeakPolarHBondContact O-CG 3.48Å; Q404-M407 PolarHBondContact O-N 3.23Å; E405-M407 PolarHBondContact O-N 2.93Å; M407-L409 HydrophobicContact CB-CG 4.49Å; M407-V457 HydrophobicContact CB-CG2 4.13Å; M407-V457 WeakPolarHBondContact O-CG2 3.4Å; M407-V457 PolarHBondContact O-N 3.22Å | ||
| 408 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.4 | 168.4 | 179 | 0 | 0 | 0 | 0 | 107 | K187 L192 L195 L371 L372 I455 A456 L465 | K187-V408 HydrophobicContact CB-CG2 4.32Å; K187-V408 HydrophobicContact CD-CB 4.37Å; K187-V408 HydrophobicContact CD-CG2 3.94Å; K187-V408 HydrophobicContact CG-CG2 3.87Å; L192-V408 HydrophobicContact CD2-CG2 3.62Å; L195-V408 HydrophobicContact CD1-CB 4.37Å; L195-V408 HydrophobicContact CD1-CG1 4.25Å; L195-V408 HydrophobicContact CD1-CG2 3.86Å; L371-V408 WeakPolarHBondContact CA-O 3.39Å; L372-V408 HydrophobicContact CB-CG1 4.08Å; L372-V408 HydrophobicContact CD2-CG1 4.28Å; L372-V408 HydrophobicContact CG-CG1 4.43Å; L372-V408 PolarHBondContact N-O 3.03Å; L372-V408 WeakPolarHBondContact O-CB 3.32Å; V408-I455 CarbonylContact C-O 3.59Å; V408-I455 VanDerWaalsContact CA-O 3.24Å; V408-I455 WeakPolarHBondContact CA-O 3.39Å; V408-I455 WeakPolarHBondContact CG1-O 3.49Å; V408-A456 HydrophobicContact CG2-CB 4.13Å; V408-L465 HydrophobicContact CG1-CD1 4.18Å |
| 409 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 147.7 | -171.4 | -65.9 | 161.1 | 0 | 0 | 0 | 110.2 | W326 H370 L371 M399 V403 M407 I455 V457 | W326-L409 HydrophobicContact CE3-CD1 4.24Å; W326-L409 HydrophobicContact CH2-CB 4.39Å; W326-L409 HydrophobicContact CH2-CD1 4.37Å; W326-L409 HydrophobicContact CZ3-CD1 3.96Å; H370-L409 CarbonylContact O-C 3.44Å; H370-L409 WeakPolarHBondContact O-CA 3.44Å; L371-L409 HydrophobicContact CD2-CD2 3.68Å; L371-L409 HydrophobicContact CD2-CG 4.46Å; L371-L409 HydrophobicContact CG-CD2 4.12Å; M399-L409 HydrophobicContact CE-CD2 4.26Å; V403-L409 HydrophobicContact CG1-CD1 4.28Å; V403-L409 HydrophobicContact CG2-CD1 4.29Å; M407-L409 HydrophobicContact CB-CG 4.49Å; L409-I455 HydrophobicContact CB-CD1 3.94Å; L409-I455 HydrophobicContact CB-CG1 4.26Å; L409-I455 HydrophobicContact CD1-CD1 4.27Å; L409-I455 PolarHBondContact N-O 2.89Å; L409-I455 PolarHBondContact O-N 3.15Å; L409-V457 HydrophobicContact CD1-CG2 4.03Å |
| 410 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 144.2 | 159.9 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | D287 W326 G369 H370 E412 E452 | D287-T410 HydrophobicContact CB-CG2 3.9Å; W326-T410 WeakPolarHBondContact CH2-O 3.39Å; W326-T410 WeakPolarHBondContact CZ2-O 3.37Å; G369-T410 WeakPolarHBondContact CA-O 3.5Å; G369-T410 VanDerWaalsContact CA-OG1 3.25Å; G369-T410 WeakPolarHBondContact CA-OG1 3.37Å; H370-T410 PolarHBondContact CD2-OG1 3.33Å; H370-T410 VanDerWaalsContact CD2-OG1 3.25Å; H370-T410 WeakPolarHBondContact CE1-CG2 3.38Å; H370-T410 PolarHBondContact N-OG1 3.21Å; H370-T410 PolarHBondContact NE2-OG1 3.38Å; H370-T410 PolarHBondContact O-N 2.96Å; T410-E412 PolarHBondContact OG1-OE1 3.47Å; T410-E452 WeakPolarHBondContact CB-OE1 3.43Å |
| 411 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 97.1 | 167.3 | 179 | 0 | 0 | 0 | 0 | 107.2 | V316 M317 L320 W326 P413 E452 D453 I455 | V316-V411 HydrophobicContact CB-CG1 4.1Å; V316-V411 HydrophobicContact CG1-CG1 3.69Å; V316-V411 HydrophobicContact CG1-CG2 4.32Å; M317-V411 HydrophobicContact CG-CG1 4.29Å; M317-V411 HydrophobicContact CG-CG2 4.39Å; L320-V411 HydrophobicContact CD1-CG2 3.81Å; W326-V411 HydrophobicContact CH2-CG2 4.17Å; V411-P413 VanDerWaalsContact C-CD 3.44Å; V411-E452 WeakPolarHBondContact O-CA 3.38Å; V411-D453 PolarHBondContact N-O 3.33Å; V411-D453 PolarHBondContact O-N 2.97Å; V411-D453 VanDerWaalsContact O-N 3.15Å; V411-I455 HydrophobicContact CG2-CG1 4Å; V411-I455 HydrophobicContact CG2-CG2 4.41Å |
| 412 | E | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | trans | -126.9 | 46.1 | -164.4 | 58.4 | 160.4 | 141.8 | 0 | 0 | 114.4 | H366 L368 G369 H370 T410 R450 I451 E452 | H366-E412 PolarHBondContact CE1-O 3.21Å; H366-E412 VanDerWaalsContact CE1-O 3.27Å; H366-E412 IonicContact CE1-OE2 3.73Å; H366-E412 IonicContact ND1-OE2 3.62Å; L368-E412 WeakPolarHBondContact O-CG 3.41Å; L368-E412 PolarHBondContact O-N 3.01Å; G369-E412 WeakPolarHBondContact CA-OE1 3.45Å; H370-E412 IonicContact CD2-OE1 2.93Å; H370-E412 PolarHBondContact CD2-OE1 3.03Å; H370-E412 IonicContact NE2-OE1 3.79Å; H370-E412 PolarHBondContact NE2-OE1 3.05Å; T410-E412 PolarHBondContact OG1-OE1 3.47Å; E412-R450 HydrophobicContact CB-CG 4.34Å; E412-I451 WeakPolarHBondContact CA-O 3.12Å; E412-E452 HydrophobicContact CB-CB 3.54Å; E412-E452 HydrophobicContact CB-CG 3.64Å; E412-E452 WeakPolarHBondContact CB-OE1 3.49Å | ||
| 413 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -58.5 | 149.5 | 178.3 | 28.1 | -34.8 | 0 | 0 | 0 | 111.5 | V309 S312 A333 M364 L368 V411 I451 | V309-P413 HydrophobicContact CG1-CG 4.34Å; V309-P413 WeakPolarHBondContact CG1-O 3.4Å; S312-P413 WeakPolarHBondContact OG-CB 3.31Å; S312-P413 WeakPolarHBondContact OG-CG 3.4Å; A333-P413 HydrophobicContact CB-CB 4.29Å; M364-P413 HydrophobicContact SD-CB 4.15Å; L368-P413 HydrophobicContact CD1-CB 3.89Å; L368-P413 HydrophobicContact CD1-CG 4.28Å; V411-P413 VanDerWaalsContact C-CD 3.44Å; P413-I451 WeakPolarHBondContact CD-O 3.17Å; P413-I451 PolarHBondContact O-N 3.12Å | ||
| 414 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H337 M364 V449 | H337-G414 PolarHBondContact CE1-O 2.85Å; H337-G414 VanDerWaalsContact CE1-O 3.28Å; M364-G414 VanDerWaalsContact CB-O 3.27Å; M364-G414 WeakPolarHBondContact CB-O 3.27Å; M364-G414 WeakPolarHBondContact CG-O 3.38Å; G414-V449 CarbonylContact C-O 3.56Å; G414-V449 WeakPolarHBondContact CA-O 3.32Å |
| 415 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.6 | 172.1 | -69.4 | 172.3 | 0 | 0 | 0 | 107.8 | I305 A308 V309 H337 L341 F363 F417 G448 V449 | I305-I415 HydrophobicContact CG2-CB 4.11Å; I305-I415 HydrophobicContact CG2-CG2 3.93Å; A308-I415 HydrophobicContact CB-CD1 3.88Å; V309-I415 HydrophobicContact CG2-CB 3.88Å; V309-I415 HydrophobicContact CG2-CD1 3.9Å; V309-I415 HydrophobicContact CG2-CG1 3.76Å; H337-I415 HydrophobicContact CB-CD1 3.93Å; H337-I415 HydrophobicContact CB-CG1 4.12Å; L341-I415 HydrophobicContact CD2-CG2 4.45Å; L341-I415 HydrophobicContact CG-CD1 4.44Å; F363-I415 HydrophobicContact CB-CG2 4.39Å; F363-I415 HydrophobicContact CD1-CG2 4.47Å; F363-I415 WeakPolarHBondContact O-CA 3.38Å; I415-F417 HydrophobicContact CG2-CE2 4.24Å; I415-F417 HydrophobicContact CG2-CZ 4.39Å; I415-G448 CarbonylContact O-C 3.53Å; I415-G448 WeakPolarHBondContact O-CA 3.28Å; I415-V449 PolarHBondContact N-O 2.71Å; I415-V449 PolarHBondContact O-N 3.34Å |
| 416 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148 | -179.5 | -42.8 | -92 | 0 | 0 | 0 | 111.4 | S251 L254 L274 F363 H366 I418 R450 | S251-Y416 WeakPolarHBondContact O-CD1 3.48Å; L254-Y416 HydrophobicContact CD2-CD1 4.11Å; L254-Y416 HydrophobicContact CD2-CD2 4.12Å; L254-Y416 HydrophobicContact CD2-CE1 3.72Å; L254-Y416 HydrophobicContact CD2-CE2 3.8Å; L254-Y416 HydrophobicContact CD2-CG 4.29Å; L274-Y416 HydrophobicContact CD1-CE1 3.84Å; F363-Y416 VanDerWaalsContact O-CD2 3.24Å; F363-Y416 WeakPolarHBondContact O-CD2 3.26Å; F363-Y416 PolarHBondContact O-N 3.37Å; H366-Y416 AromaticContact CD2-CE2 3.5Å; H366-Y416 AromaticContact CD2-CZ 3.9Å; H366-Y416 AromaticContact NE2-CE2 3.16Å; H366-Y416 WeakPolarHBondContact NE2-CE2 3.38Å; H366-Y416 AromaticContact NE2-CZ 3.38Å; H366-Y416 PolarHBondContact NE2-OH 2.69Å; Y416-I418 HydrophobicContact CG-CD1 4.36Å; Y416-R450 WeakPolarHBondContact OH-CB 3.11Å; Y416-R450 WeakPolarHBondContact OH-CD 3.39Å; Y416-R450 PolarHBondContact OH-NH1 3.22Å |
| 417 | F | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | trans | -104 | 72.4 | 174.9 | -64.4 | -85.2 | 0 | 0 | 0 | 110.3 | I305 I346 F363 I415 L422 L440 F443 F446 G447 | I305-F417 HydrophobicContact CD1-CE2 4.15Å; I305-F417 HydrophobicContact CD1-CZ 3.81Å; I305-F417 HydrophobicContact CG1-CE2 4.12Å; I305-F417 HydrophobicContact CG1-CZ 4.25Å; I305-F417 HydrophobicContact CG2-CE2 4.36Å; I346-F417 HydrophobicContact CD1-CE1 3.97Å; I346-F417 HydrophobicContact CD1-CZ 3.85Å; F363-F417 HydrophobicContact CE1-CD1 4.38Å; F363-F417 HydrophobicContact CE1-CE1 4.13Å; I415-F417 HydrophobicContact CG2-CE2 4.24Å; I415-F417 HydrophobicContact CG2-CZ 4.39Å; F417-L422 HydrophobicContact CB-CD1 4.11Å; F417-L422 HydrophobicContact CD1-CD1 4.34Å; F417-L440 HydrophobicContact CD1-CD1 3.8Å; F417-L440 HydrophobicContact CE1-CD1 3.95Å; F417-F443 WeakPolarHBondContact CB-O 3.11Å; F417-F443 HydrophobicContact CD1-CB 3.52Å; F417-F443 HydrophobicContact CD1-CG 4.44Å; F417-F443 HydrophobicContact CD2-CB 4.12Å; F417-F443 HydrophobicContact CE1-CB 3.38Å; F417-F443 HydrophobicContact CE1-CD1 4.14Å; F417-F443 AromaticContact CE1-CG 3.82Å; F417-F443 HydrophobicContact CE1-CG 3.82Å; F417-F443 HydrophobicContact CE2-CB 4Å; F417-F443 AromaticContact CE2-CD1 3.73Å; F417-F443 HydrophobicContact CE2-CD1 3.73Å; F417-F443 HydrophobicContact CE2-CG 4.2Å; F417-F443 HydrophobicContact CG-CB 3.89Å; F417-F443 WeakPolarHBondContact CG-O 3.48Å; F417-F443 HydrophobicContact CZ-CB 3.63Å; F417-F443 AromaticContact CZ-CD1 3.5Å; F417-F443 HydrophobicContact CZ-CD1 3.5Å; F417-F443 HydrophobicContact CZ-CE1 4.33Å; F417-F443 AromaticContact CZ-CG 3.68Å; F417-F443 HydrophobicContact CZ-CG 3.68Å; F417-F446 HydrophobicContact CD2-CB 3.81Å; F417-F446 AromaticContact CD2-CD1 3.72Å; F417-F446 HydrophobicContact CD2-CD1 3.72Å; F417-F446 AromaticContact CD2-CG 3.99Å; F417-F446 HydrophobicContact CD2-CG 3.99Å; F417-F446 HydrophobicContact CE2-CB 4.31Å; F417-F446 AromaticContact CE2-CD1 3.85Å; F417-F446 HydrophobicContact CE2-CD1 3.85Å; F417-F446 HydrophobicContact CE2-CE1 4.43Å; F417-F446 HydrophobicContact CE2-CG 4.12Å; F417-F446 HydrophobicContact CG-CB 4.41Å; F417-G447 PolarHBondContact N-O 2.95Å | ||
| 418 | I | 98.8 | Very high | 98.8 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | trans | -87.2 | 113.3 | -174.9 | -63.2 | 162.3 | 0 | 0 | 0 | 110.1 | P365 Y416 H420 L421 L422 | P365-I418 HydrophobicContact CG-CD1 3.77Å; Y416-I418 HydrophobicContact CG-CD1 4.36Å; I418-H420 PolarHBondContact O-N 2.64Å; I418-L421 HydrophobicContact CB-CB 4.35Å; I418-L421 HydrophobicContact CB-CD1 4.08Å; I418-L421 HydrophobicContact CB-CG 4.29Å; I418-L421 HydrophobicContact CD1-CD1 3.93Å; I418-L421 HydrophobicContact CG2-CB 4.39Å; I418-L421 HydrophobicContact CG2-CD1 4.13Å; I418-L421 HydrophobicContact CG2-CG 4Å; I418-L421 PolarHBondContact O-N 3.28Å; I418-L422 WeakPolarHBondContact O-CG 3.37Å; I418-L422 PolarHBondContact O-N 2.89Å | ||
| 419 | N | 98.4 | Very high | 98.8 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 47% | 0.465 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -50.3 | -51.4 | -170.7 | -76.2 | -30.3 | 0 | 0 | 0 | 113.9 | L421 L422 D423 R444 | N419-L421 VanDerWaalsContact C-N 3.26Å; N419-L421 PolarHBondContact O-N 3.34Å; N419-L422 PolarHBondContact O-N 3.44Å; N419-D423 WeakPolarHBondContact O-CB 3.35Å; N419-D423 PolarHBondContact O-N 3.03Å; N419-D423 VanDerWaalsContact O-OD2 3.12Å; N419-R444 PolarHBondContact O-NH1 3.38Å; N419-R444 WeakPolarHBondContact OD1-CD 3.49Å; N419-R444 PolarHBondContact OD1-NH1 3.44Å |
| 420 | H | 98.4 | Very high | 98.7 | Very high | 108 Ų | 108 | 40.5 Ų | 40.5 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.2 | -23.1 | -175.2 | 83 | 76.2 | 0 | 0 | 0 | 113.7 | I418 K424 | I418-H420 PolarHBondContact O-N 2.64Å; H420-K424 WeakPolarHBondContact O-CD 3.43Å; H420-K424 VanDerWaalsContact O-CG 3.23Å; H420-K424 WeakPolarHBondContact O-CG 3.4Å; H420-K424 PolarHBondContact O-N 3.37Å |
| 421 | L | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 18% | 0.183 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -79.5 | -45.3 | 174.9 | -67.3 | 179.5 | 0 | 0 | 0 | 109.8 | V362 P365 I418 N419 D423 K424 A425 | V362-L421 HydrophobicContact CG1-CB 4.19Å; P365-L421 HydrophobicContact CB-CD1 3.73Å; P365-L421 HydrophobicContact CG-CD1 3.81Å; I418-L421 HydrophobicContact CB-CB 4.35Å; I418-L421 HydrophobicContact CB-CD1 4.08Å; I418-L421 HydrophobicContact CB-CG 4.29Å; I418-L421 HydrophobicContact CD1-CD1 3.93Å; I418-L421 HydrophobicContact CG2-CB 4.39Å; I418-L421 HydrophobicContact CG2-CD1 4.13Å; I418-L421 HydrophobicContact CG2-CG 4Å; I418-L421 PolarHBondContact O-N 3.28Å; N419-L421 VanDerWaalsContact C-N 3.26Å; N419-L421 PolarHBondContact O-N 3.34Å; L421-D423 VanDerWaalsContact C-N 3.34Å; L421-D423 PolarHBondContact O-N 3.39Å; L421-K424 PolarHBondContact O-N 2.95Å; L421-A425 PolarHBondContact O-N 3.02Å |
| 422 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.3 | -64.5 | 174.6 | 0 | 0 | 0 | 111.7 | V362 F363 F417 I418 N419 K424 A425 L426 L440 | V362-L422 HydrophobicContact CG1-CD2 3.9Å; F363-L422 HydrophobicContact CD1-CD2 4.48Å; F363-L422 HydrophobicContact CE1-CD2 3.79Å; F363-L422 HydrophobicContact CZ-CD2 4.15Å; F417-L422 HydrophobicContact CB-CD1 4.11Å; F417-L422 HydrophobicContact CD1-CD1 4.34Å; I418-L422 WeakPolarHBondContact O-CG 3.37Å; I418-L422 PolarHBondContact O-N 2.89Å; N419-L422 PolarHBondContact O-N 3.44Å; L422-K424 VanDerWaalsContact C-N 3.34Å; L422-K424 PolarHBondContact O-N 3.15Å; L422-A425 PolarHBondContact O-N 3.22Å; L422-L426 WeakPolarHBondContact O-CB 3.43Å; L422-L426 VanDerWaalsContact O-CG 3.25Å; L422-L426 WeakPolarHBondContact O-CG 3.39Å; L422-L426 PolarHBondContact O-N 2.79Å; L422-L440 HydrophobicContact CD1-CD1 4.08Å; L422-L440 HydrophobicContact CD2-CD1 3.99Å; L422-L440 HydrophobicContact CD2-CD2 4.1Å |
| 423 | D | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.9 | -64.8 | -20.9 | 0 | 0 | 0 | 111.6 | N419 L421 A427 R444 | N419-D423 WeakPolarHBondContact O-CB 3.35Å; N419-D423 PolarHBondContact O-N 3.03Å; N419-D423 VanDerWaalsContact O-OD2 3.12Å; L421-D423 VanDerWaalsContact C-N 3.34Å; L421-D423 PolarHBondContact O-N 3.39Å; D423-A427 WeakPolarHBondContact O-CB 3.33Å; D423-A427 PolarHBondContact O-N 3.37Å; D423-A427 VanDerWaalsContact O-N 3.08Å; D423-R444 IonicContact OD1-CZ 2.87Å; D423-R444 IonicContact OD1-NH1 3.66Å; D423-R444 PolarHBondContact OD1-NH1 3.05Å; D423-R444 IonicContact OD1-NH2 3.72Å; D423-R444 PolarHBondContact OD1-NH2 2.97Å; D423-R444 IonicContact OD2-NH1 3.62Å |
| 424 | K | 98.7 | Very high | 98.7 | Very high | 146 Ų | 146 | 46.8 Ų | 46.8 | 64% | 0.635 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 174 | -77 | 177 | -179 | -174.4 | 0 | 111.5 | H420 L421 L422 L426 A427 D428 | H420-K424 WeakPolarHBondContact O-CD 3.43Å; H420-K424 VanDerWaalsContact O-CG 3.23Å; H420-K424 WeakPolarHBondContact O-CG 3.4Å; H420-K424 PolarHBondContact O-N 3.37Å; L421-K424 PolarHBondContact O-N 2.95Å; L422-K424 VanDerWaalsContact C-N 3.34Å; L422-K424 PolarHBondContact O-N 3.15Å; K424-L426 PolarHBondContact O-N 3.42Å; K424-A427 PolarHBondContact O-N 2.86Å; K424-D428 PolarHBondContact O-N 2.92Å; K424-D428 VanDerWaalsContact O-N 3.12Å |
| 425 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V362 L421 L422 A427 D428 Q431 S432 I435 | V362-A425 HydrophobicContact CG1-CB 3.98Å; V362-A425 HydrophobicContact CG2-CB 3.91Å; L421-A425 PolarHBondContact O-N 3.02Å; L422-A425 PolarHBondContact O-N 3.22Å; A425-A427 VanDerWaalsContact C-N 3.28Å; A425-A427 PolarHBondContact O-N 3.37Å; A425-D428 PolarHBondContact O-N 3.46Å; A425-Q431 VanDerWaalsContact CA-OE1 3.23Å; A425-Q431 HydrophobicContact CB-CB 4.25Å; A425-S432 WeakPolarHBondContact O-CB 3.34Å; A425-S432 PolarHBondContact O-N 2.93Å; A425-S432 VanDerWaalsContact O-N 3.15Å; A425-I435 HydrophobicContact CB-CD1 3.83Å |
| 426 | L | 98.7 | Very high | 98.7 | Very high | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.1 | -26.4 | 174.6 | -74 | 169.5 | 0 | 0 | 0 | 113.1 | L422 K424 S432 I435 S437 L440 | L422-L426 WeakPolarHBondContact O-CB 3.43Å; L422-L426 VanDerWaalsContact O-CG 3.25Å; L422-L426 WeakPolarHBondContact O-CG 3.39Å; L422-L426 PolarHBondContact O-N 2.79Å; K424-L426 PolarHBondContact O-N 3.42Å; L426-S432 VanDerWaalsContact O-CB 3.3Å; L426-S432 WeakPolarHBondContact O-CB 3.37Å; L426-I435 HydrophobicContact CD2-CB 4.12Å; L426-I435 HydrophobicContact CD2-CD1 4.26Å; L426-I435 HydrophobicContact CD2-CG2 3.7Å; L426-I435 HydrophobicContact CG-CD1 4.49Å; L426-S437 VanDerWaalsContact CD2-OG 3.31Å; L426-S437 WeakPolarHBondContact CD2-OG 3.3Å; L426-L440 HydrophobicContact CD1-CD2 4.14Å; L426-L440 HydrophobicContact CD2-CD2 4.47Å; L426-L440 HydrophobicContact CG-CD2 4.47Å |
| 427 | A | 98.6 | Very high | 98.6 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 66% | 0.661 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -84.5 | -18.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D423 K424 A425 P429 | D423-A427 WeakPolarHBondContact O-CB 3.33Å; D423-A427 PolarHBondContact O-N 3.37Å; D423-A427 VanDerWaalsContact O-N 3.08Å; K424-A427 PolarHBondContact O-N 2.86Å; A425-A427 VanDerWaalsContact C-N 3.28Å; A425-A427 PolarHBondContact O-N 3.37Å; A427-P429 WeakPolarHBondContact O-CD 3.37Å |
| 428 | D | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | trans | -90 | 115.4 | 177.8 | -178.3 | -2.6 | 0 | 0 | 0 | 110.6 | K424 A425 A430 Q431 S432 | K424-D428 PolarHBondContact O-N 2.92Å; K424-D428 VanDerWaalsContact O-N 3.12Å; A425-D428 PolarHBondContact O-N 3.46Å; D428-A430 PolarHBondContact O-N 2.94Å; D428-A430 VanDerWaalsContact O-N 3.16Å; D428-A430 WeakPolarHBondContact OD1-CB 3.39Å; D428-A430 PolarHBondContact OD1-N 2.96Å; D428-Q431 HydrophobicContact CB-CB 4.34Å; D428-Q431 PolarHBondContact O-N 3.17Å; D428-S432 VanDerWaalsContact O-CB 3.25Å; D428-S432 WeakPolarHBondContact O-CB 3.37Å; D428-S432 PolarHBondContact O-N 3.07Å; D428-S432 PolarHBondContact O-OG 3.24Å | ||
| 429 | P | 98.4 | Very high | 98.5 | Very high | 104 Ų | 104 | 61.6 Ų | 61.6 | 68% | 0.675 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -56.7 | -28.8 | 176.4 | -26 | 36.5 | 0 | 0 | 0 | 114.4 | A427 Q431 S432 C433 | A427-P429 WeakPolarHBondContact O-CD 3.37Å; P429-Q431 VanDerWaalsContact C-N 3.29Å; P429-Q431 PolarHBondContact O-N 3.44Å; P429-S432 WeakPolarHBondContact CA-OG 3.43Å; P429-C433 PolarHBondContact O-SG 3.13Å; P429-C433 VanDerWaalsContact O-SG 3.37Å |
| 430 | A | 98.4 | Very high | 98.5 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.1 | -24.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V357 D428 F434 | V357-A430 HydrophobicContact CG1-CB 4.14Å; D428-A430 PolarHBondContact O-N 2.94Å; D428-A430 VanDerWaalsContact O-N 3.16Å; D428-A430 WeakPolarHBondContact OD1-CB 3.39Å; D428-A430 PolarHBondContact OD1-N 2.96Å; A430-F434 VanDerWaalsContact O-CE2 3.28Å; A430-F434 WeakPolarHBondContact O-CE2 3.32Å |
| 431 | Q | 98.6 | Very high | 98.4 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -107 | -44.3 | 180 | -68.3 | -173.5 | -16.9 | 0 | 0 | 112.6 | V357 L359 A425 D428 P429 C433 F434 | V357-Q431 HydrophobicContact CB-CG 4.2Å; V357-Q431 HydrophobicContact CG2-CG 4.04Å; V357-Q431 PolarHBondContact O-NE2 2.96Å; L359-Q431 HydrophobicContact CD1-CB 4.11Å; L359-Q431 HydrophobicContact CD1-CG 4.28Å; A425-Q431 VanDerWaalsContact CA-OE1 3.23Å; A425-Q431 HydrophobicContact CB-CB 4.25Å; D428-Q431 HydrophobicContact CB-CB 4.34Å; D428-Q431 PolarHBondContact O-N 3.17Å; P429-Q431 VanDerWaalsContact C-N 3.29Å; P429-Q431 PolarHBondContact O-N 3.44Å; Q431-C433 PolarHBondContact O-N 2.93Å; Q431-C433 VanDerWaalsContact O-N 3.14Å; Q431-F434 WeakPolarHBondContact O-CB 3.41Å; Q431-F434 PolarHBondContact O-N 3.32Å |
| 432 | S | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -27.8 | -177.3 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | A425 L426 D428 P429 F434 I435 | A425-S432 WeakPolarHBondContact O-CB 3.34Å; A425-S432 PolarHBondContact O-N 2.93Å; A425-S432 VanDerWaalsContact O-N 3.15Å; L426-S432 VanDerWaalsContact O-CB 3.3Å; L426-S432 WeakPolarHBondContact O-CB 3.37Å; D428-S432 VanDerWaalsContact O-CB 3.25Å; D428-S432 WeakPolarHBondContact O-CB 3.37Å; D428-S432 PolarHBondContact O-N 3.07Å; D428-S432 PolarHBondContact O-OG 3.24Å; P429-S432 WeakPolarHBondContact CA-OG 3.43Å; S432-F434 PolarHBondContact O-N 3.16Å; S432-F434 VanDerWaalsContact O-N 3.15Å; S432-I435 PolarHBondContact O-N 3.1Å |
| 433 | C | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 46% | 0.459 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | H348 P429 Q431 | H348-C433 PolarHBondContact CE1-O 3.1Å; H348-C433 PolarHBondContact NE2-O 3.39Å; P429-C433 PolarHBondContact O-SG 3.13Å; P429-C433 VanDerWaalsContact O-SG 3.37Å; Q431-C433 PolarHBondContact O-N 2.93Å; Q431-C433 VanDerWaalsContact O-N 3.14Å |
| 434 | F | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 11% | 0.114 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -9.1 | 174.3 | -60.1 | -64.6 | 0 | 0 | 0 | 113.3 | L347 H348 D353 M354 V357 L359 A430 Q431 S432 | L347-F434 CarbonylContact C-O 3.47Å; L347-F434 WeakPolarHBondContact CA-O 3.49Å; H348-F434 PolarHBondContact CD2-O 3.48Å; H348-F434 PolarHBondContact N-O 2.95Å; H348-F434 WeakPolarHBondContact O-CD1 3.33Å; D353-F434 HydrophobicContact CB-CE1 4.21Å; D353-F434 HydrophobicContact CB-CZ 3.8Å; M354-F434 HydrophobicContact CE-CB 4.1Å; M354-F434 HydrophobicContact CE-CD1 3.84Å; M354-F434 HydrophobicContact CE-CG 4.2Å; M354-F434 HydrophobicContact CG-CB 4.19Å; M354-F434 HydrophobicContact CG-CD1 3.82Å; M354-F434 HydrophobicContact CG-CD2 4.03Å; M354-F434 HydrophobicContact CG-CE1 4.17Å; M354-F434 HydrophobicContact CG-CE2 4.36Å; M354-F434 HydrophobicContact CG-CG 3.74Å; M354-F434 HydrophobicContact CG-CZ 4.43Å; V357-F434 HydrophobicContact CG2-CD2 4.23Å; V357-F434 HydrophobicContact CG2-CE2 3.85Å; L359-F434 HydrophobicContact CD2-CB 3.84Å; L359-F434 HydrophobicContact CD2-CD2 4.26Å; L359-F434 HydrophobicContact CD2-CG 4.35Å; A430-F434 VanDerWaalsContact O-CE2 3.28Å; A430-F434 WeakPolarHBondContact O-CE2 3.32Å; Q431-F434 WeakPolarHBondContact O-CB 3.41Å; Q431-F434 PolarHBondContact O-N 3.32Å; S432-F434 PolarHBondContact O-N 3.16Å; S432-F434 VanDerWaalsContact O-N 3.15Å |
| 435 | I | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -102.7 | 122.4 | -168.4 | -58.8 | 173.6 | 0 | 0 | 0 | 110.3 | L347 L359 A425 L426 S432 S437 L440 | L347-I435 HydrophobicContact CD2-CG1 3.89Å; L359-I435 HydrophobicContact CD1-CD1 4.35Å; A425-I435 HydrophobicContact CB-CD1 3.83Å; L426-I435 HydrophobicContact CD2-CB 4.12Å; L426-I435 HydrophobicContact CD2-CD1 4.26Å; L426-I435 HydrophobicContact CD2-CG2 3.7Å; L426-I435 HydrophobicContact CG-CD1 4.49Å; S432-I435 PolarHBondContact O-N 3.1Å; I435-S437 PolarHBondContact O-N 3.28Å; I435-L440 HydrophobicContact CG2-CB 4.32Å; I435-L440 HydrophobicContact CG2-CD2 3.61Å |
| 436 | N | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 56 Ų | 56 | 31% | 0.305 | 33% | 0.327 | S | S | . | . | trans | -82 | 92.7 | 168.5 | -173.6 | -21.1 | 0 | 0 | 0 | 110.2 | G345 I346 Q438 V439 L440 | G345-N436 WeakPolarHBondContact O-CB 3.26Å; I346-N436 PolarHBondContact O-N 3.04Å; N436-Q438 PolarHBondContact O-N 3.17Å; N436-Q438 VanDerWaalsContact O-N 3.15Å; N436-Q438 PolarHBondContact OD1-N 3.03Å; N436-V439 HydrophobicContact CB-CB 4.25Å; N436-V439 HydrophobicContact CB-CG2 4.35Å; N436-V439 VanDerWaalsContact ND2-CG2 3.34Å; N436-V439 WeakPolarHBondContact ND2-CG2 3.26Å; N436-V439 PolarHBondContact O-N 2.66Å; N436-V439 VanDerWaalsContact O-N 3.13Å; N436-V439 PolarHBondContact OD1-N 2.88Å; N436-L440 WeakPolarHBondContact O-CB 3.23Å; N436-L440 PolarHBondContact O-N 3.46Å | ||
| 437 | S | 97.2 | Very high | 98.1 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.6 | -32 | -176.9 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | L426 I435 A441 | L426-S437 VanDerWaalsContact CD2-OG 3.31Å; L426-S437 WeakPolarHBondContact CD2-OG 3.3Å; I435-S437 PolarHBondContact O-N 3.28Å; S437-A441 WeakPolarHBondContact O-CB 3.48Å; S437-A441 PolarHBondContact O-N 3.27Å |
| 438 | Q | 97.3 | Very high | 98.1 | Very high | 175 Ų | 175 | 49.8 Ų | 49.8 | 82% | 0.818 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.4 | -42 | 179.2 | -66.7 | -178.6 | -0.2 | 0 | 0 | 111.5 | N436 | N436-Q438 PolarHBondContact O-N 3.17Å; N436-Q438 VanDerWaalsContact O-N 3.15Å; N436-Q438 PolarHBondContact OD1-N 3.03Å |
| 439 | V | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -44.7 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | I346 N436 A441 R442 F443 | I346-V439 HydrophobicContact CG1-CG1 3.85Å; N436-V439 HydrophobicContact CB-CB 4.25Å; N436-V439 HydrophobicContact CB-CG2 4.35Å; N436-V439 VanDerWaalsContact ND2-CG2 3.34Å; N436-V439 WeakPolarHBondContact ND2-CG2 3.26Å; N436-V439 PolarHBondContact O-N 2.66Å; N436-V439 VanDerWaalsContact O-N 3.13Å; N436-V439 PolarHBondContact OD1-N 2.88Å; V439-A441 PolarHBondContact O-N 3.47Å; V439-R442 WeakPolarHBondContact O-CB 3.36Å; V439-R442 PolarHBondContact O-N 2.82Å; V439-R442 VanDerWaalsContact O-N 3.07Å; V439-F443 HydrophobicContact CG1-CE2 4.24Å; V439-F443 WeakPolarHBondContact O-CD2 3.39Å |
| 440 | L | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.2 | -36.1 | 177.7 | 178.7 | 63.1 | 0 | 0 | 0 | 112.6 | I346 F417 L422 L426 I435 N436 R442 F443 R444 | I346-L440 HydrophobicContact CG2-CB 4.48Å; I346-L440 HydrophobicContact CG2-CD1 4.1Å; F417-L440 HydrophobicContact CD1-CD1 3.8Å; F417-L440 HydrophobicContact CE1-CD1 3.95Å; L422-L440 HydrophobicContact CD1-CD1 4.08Å; L422-L440 HydrophobicContact CD2-CD1 3.99Å; L422-L440 HydrophobicContact CD2-CD2 4.1Å; L426-L440 HydrophobicContact CD1-CD2 4.14Å; L426-L440 HydrophobicContact CD2-CD2 4.47Å; L426-L440 HydrophobicContact CG-CD2 4.47Å; I435-L440 HydrophobicContact CG2-CB 4.32Å; I435-L440 HydrophobicContact CG2-CD2 3.61Å; N436-L440 WeakPolarHBondContact O-CB 3.23Å; N436-L440 PolarHBondContact O-N 3.46Å; L440-R442 PolarHBondContact O-N 3.29Å; L440-F443 PolarHBondContact O-N 3.47Å; L440-R444 PolarHBondContact O-N 3.48Å |
| 441 | A | 97.8 | Very high | 98.1 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 51% | 0.512 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.4 | -30.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | S437 V439 F443 R444 | S437-A441 WeakPolarHBondContact O-CB 3.48Å; S437-A441 PolarHBondContact O-N 3.27Å; V439-A441 PolarHBondContact O-N 3.47Å; A441-F443 VanDerWaalsContact C-N 3.28Å; A441-F443 PolarHBondContact O-N 2.95Å; A441-R444 PolarHBondContact O-N 2.93Å |
| 442 | R | 97.4 | Very high | 98.2 | Very high | 139 Ų | 139 | 38.8 Ų | 38.8 | 53% | 0.525 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.2 | -26.9 | 175.9 | -169.8 | 169.4 | 71.7 | -117.1 | 3.1 | 113.1 | D301 V439 L440 | D301-R442 IonicContact OD1-CZ 3.22Å; D301-R442 IonicContact OD1-NE 3.72Å; D301-R442 PolarHBondContact OD1-NE 3.3Å; D301-R442 IonicContact OD1-NH2 2.69Å; D301-R442 PolarHBondContact OD1-NH2 3.43Å; D301-R442 WeakPolarHBondContact OD2-CD 3.41Å; D301-R442 IonicContact OD2-CZ 3.6Å; D301-R442 IonicContact OD2-NE 3.56Å; D301-R442 PolarHBondContact OD2-NE 2.97Å; D301-R442 IonicContact OD2-NH2 3.88Å; V439-R442 WeakPolarHBondContact O-CB 3.36Å; V439-R442 PolarHBondContact O-N 2.82Å; V439-R442 VanDerWaalsContact O-N 3.07Å; L440-R442 PolarHBondContact O-N 3.29Å |
| 443 | F | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -0.8 | 179.8 | -66.8 | -94.1 | 0 | 0 | 0 | 113.1 | D301 I305 V344 I346 F417 V439 L440 A441 G445 F446 | D301-F443 HydrophobicContact CB-CE1 3.73Å; D301-F443 HydrophobicContact CB-CZ 3.86Å; D301-F443 WeakPolarHBondContact OD1-CZ 3.48Å; I305-F443 HydrophobicContact CD1-CD1 4.37Å; I305-F443 HydrophobicContact CD1-CE1 3.92Å; I305-F443 HydrophobicContact CG1-CD1 4.09Å; I305-F443 HydrophobicContact CG1-CE1 3.62Å; V344-F443 HydrophobicContact CG1-CE2 4.22Å; V344-F443 HydrophobicContact CG1-CZ 3.83Å; I346-F443 HydrophobicContact CD1-CD1 4.31Å; I346-F443 HydrophobicContact CD1-CD2 3.74Å; I346-F443 HydrophobicContact CD1-CE1 4.22Å; I346-F443 HydrophobicContact CD1-CE2 3.64Å; I346-F443 HydrophobicContact CD1-CG 4.09Å; I346-F443 HydrophobicContact CD1-CZ 3.89Å; I346-F443 HydrophobicContact CG1-CD2 3.91Å; I346-F443 HydrophobicContact CG1-CE2 3.8Å; I346-F443 HydrophobicContact CG1-CZ 4.47Å; F417-F443 WeakPolarHBondContact CB-O 3.11Å; F417-F443 HydrophobicContact CD1-CB 3.52Å; F417-F443 HydrophobicContact CD1-CG 4.44Å; F417-F443 HydrophobicContact CD2-CB 4.12Å; F417-F443 HydrophobicContact CE1-CB 3.38Å; F417-F443 HydrophobicContact CE1-CD1 4.14Å; F417-F443 AromaticContact CE1-CG 3.82Å; F417-F443 HydrophobicContact CE1-CG 3.82Å; F417-F443 HydrophobicContact CE2-CB 4Å; F417-F443 AromaticContact CE2-CD1 3.73Å; F417-F443 HydrophobicContact CE2-CD1 3.73Å; F417-F443 HydrophobicContact CE2-CG 4.2Å; F417-F443 HydrophobicContact CG-CB 3.89Å; F417-F443 WeakPolarHBondContact CG-O 3.48Å; F417-F443 HydrophobicContact CZ-CB 3.63Å; F417-F443 AromaticContact CZ-CD1 3.5Å; F417-F443 HydrophobicContact CZ-CD1 3.5Å; F417-F443 HydrophobicContact CZ-CE1 4.33Å; F417-F443 AromaticContact CZ-CG 3.68Å; F417-F443 HydrophobicContact CZ-CG 3.68Å; V439-F443 HydrophobicContact CG1-CE2 4.24Å; V439-F443 WeakPolarHBondContact O-CD2 3.39Å; L440-F443 PolarHBondContact O-N 3.47Å; A441-F443 VanDerWaalsContact C-N 3.28Å; A441-F443 PolarHBondContact O-N 2.95Å; F443-G445 PolarHBondContact O-N 3.29Å; F443-F446 HydrophobicContact CB-CB 4.31Å; F443-F446 HydrophobicContact CD1-CB 4.43Å; F443-F446 AromaticContact CD1-CD2 3.96Å; F443-F446 HydrophobicContact CD1-CD2 3.96Å; F443-F446 HydrophobicContact CD1-CG 4.24Å; F443-F446 HydrophobicContact CE1-CD2 4.44Å; F443-F446 WeakPolarHBondContact O-CB 3.32Å; F443-F446 PolarHBondContact O-N 3.42Å |
| 444 | R | 96.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 33.9 Ų | 33.9 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 122.2 | 171 | -73.9 | -77.2 | -178.5 | 151.2 | 5.5 | 108.9 | N419 D423 L440 A441 F446 | N419-R444 PolarHBondContact O-NH1 3.38Å; N419-R444 WeakPolarHBondContact OD1-CD 3.49Å; N419-R444 PolarHBondContact OD1-NH1 3.44Å; D423-R444 IonicContact OD1-CZ 2.87Å; D423-R444 IonicContact OD1-NH1 3.66Å; D423-R444 PolarHBondContact OD1-NH1 3.05Å; D423-R444 IonicContact OD1-NH2 3.72Å; D423-R444 PolarHBondContact OD1-NH2 2.97Å; D423-R444 IonicContact OD2-NH1 3.62Å; L440-R444 PolarHBondContact O-N 3.48Å; A441-R444 PolarHBondContact O-N 2.93Å; R444-F446 VanDerWaalsContact C-N 3.29Å |
| 445 | G | 94.9 | Very high | 98.2 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 35% | 0.351 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 13.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | N249 F443 G447 | N249-G445 WeakPolarHBondContact OD1-CA 3.3Å; N249-G445 PolarHBondContact OD1-O 3.28Å; F443-G445 PolarHBondContact O-N 3.29Å; G445-G447 PolarHBondContact O-N 3.29Å |
| 446 | F | 98.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | trans | -61.8 | -33.4 | 165.8 | 179.2 | -85.3 | 0 | 0 | 0 | 111.2 | M272 Q302 I305 F417 F443 R444 V449 | M272-F446 HydrophobicContact CG-CE1 4.13Å; M272-F446 HydrophobicContact CG-CE2 4.36Å; M272-F446 HydrophobicContact CG-CZ 3.82Å; Q302-F446 HydrophobicContact CB-CE2 4.27Å; Q302-F446 HydrophobicContact CB-CZ 4.41Å; Q302-F446 HydrophobicContact CG-CE2 3.7Å; Q302-F446 HydrophobicContact CG-CZ 4.09Å; I305-F446 HydrophobicContact CB-CE1 4.3Å; I305-F446 HydrophobicContact CB-CZ 4Å; I305-F446 HydrophobicContact CG1-CZ 4.21Å; I305-F446 HydrophobicContact CG2-CE1 4.05Å; I305-F446 HydrophobicContact CG2-CZ 4.26Å; F417-F446 HydrophobicContact CD2-CB 3.81Å; F417-F446 AromaticContact CD2-CD1 3.72Å; F417-F446 HydrophobicContact CD2-CD1 3.72Å; F417-F446 AromaticContact CD2-CG 3.99Å; F417-F446 HydrophobicContact CD2-CG 3.99Å; F417-F446 HydrophobicContact CE2-CB 4.31Å; F417-F446 AromaticContact CE2-CD1 3.85Å; F417-F446 HydrophobicContact CE2-CD1 3.85Å; F417-F446 HydrophobicContact CE2-CE1 4.43Å; F417-F446 HydrophobicContact CE2-CG 4.12Å; F417-F446 HydrophobicContact CG-CB 4.41Å; F443-F446 HydrophobicContact CB-CB 4.31Å; F443-F446 HydrophobicContact CD1-CB 4.43Å; F443-F446 AromaticContact CD1-CD2 3.96Å; F443-F446 HydrophobicContact CD1-CD2 3.96Å; F443-F446 HydrophobicContact CD1-CG 4.24Å; F443-F446 HydrophobicContact CE1-CD2 4.44Å; F443-F446 WeakPolarHBondContact O-CB 3.32Å; F443-F446 PolarHBondContact O-N 3.42Å; R444-F446 VanDerWaalsContact C-N 3.29Å; F446-V449 HydrophobicContact CE1-CG2 4.17Å; F446-V449 HydrophobicContact CZ-CG2 4.49Å | ||
| 447 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | 90.2 | -121.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G248 S251 F417 G445 | G248-G447 WeakPolarHBondContact O-CA 3.34Å; S251-G447 VanDerWaalsContact OG-CA 3.26Å; S251-G447 WeakPolarHBondContact OG-CA 3.48Å; F417-G447 PolarHBondContact N-O 2.95Å; G445-G447 PolarHBondContact O-N 3.29Å | ||
| 448 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S251 I415 | S251-G448 PolarHBondContact OG-N 3.32Å; S251-G448 PolarHBondContact OG-O 3.23Å; I415-G448 CarbonylContact O-C 3.53Å; I415-G448 WeakPolarHBondContact O-CA 3.28Å |
| 449 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.1 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 108 | M272 I305 Y306 V309 G414 I415 F446 I451 | M272-V449 HydrophobicContact CE-CG2 3.97Å; I305-V449 HydrophobicContact CG2-CB 4.38Å; I305-V449 HydrophobicContact CG2-CG2 4.07Å; Y306-V449 HydrophobicContact CD2-CG1 3.84Å; Y306-V449 HydrophobicContact CE2-CG1 4.41Å; V309-V449 HydrophobicContact CB-CG1 3.91Å; V309-V449 HydrophobicContact CG1-CG1 4.14Å; V309-V449 HydrophobicContact CG2-CB 4.05Å; V309-V449 HydrophobicContact CG2-CG1 3.9Å; G414-V449 CarbonylContact C-O 3.56Å; G414-V449 WeakPolarHBondContact CA-O 3.32Å; I415-V449 PolarHBondContact N-O 2.71Å; I415-V449 PolarHBondContact O-N 3.34Å; F446-V449 HydrophobicContact CE1-CG2 4.17Å; F446-V449 HydrophobicContact CZ-CG2 4.49Å; V449-I451 HydrophobicContact CG1-CG1 4.32Å |
| 450 | R | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.5 | 164.2 | -179.9 | 167.5 | 60.4 | -107.4 | 15.2 | 109.2 | L274 D276 T289 S291 E412 Y416 | L274-R450 HydrophobicContact CD1-CB 3.75Å; L274-R450 HydrophobicContact CG-CB 4.22Å; D276-R450 IonicContact OD2-CZ 3.03Å; D276-R450 IonicContact OD2-NE 3.61Å; D276-R450 IonicContact OD2-NH2 3.63Å; D276-R450 PolarHBondContact OD2-NH2 3Å; T289-R450 HydrophobicContact CG2-CB 3.86Å; T289-R450 HydrophobicContact CG2-CG 4.02Å; T289-R450 PolarHBondContact OG1-NE 3.08Å; T289-R450 VanDerWaalsContact OG1-NE 3.14Å; S291-R450 PolarHBondContact OG-N 3.23Å; S291-R450 PolarHBondContact OG-O 2.87Å; E412-R450 HydrophobicContact CB-CG 4.34Å; Y416-R450 WeakPolarHBondContact OH-CB 3.11Å; Y416-R450 WeakPolarHBondContact OH-CD 3.39Å; Y416-R450 PolarHBondContact OH-NH1 3.22Å |
| 451 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -124.8 | 113.6 | 173.3 | -65.1 | 175.6 | 0 | 0 | 0 | 106.2 | Y306 V309 L310 E412 P413 V449 | Y306-I451 HydrophobicContact CD2-CD1 4.42Å; Y306-I451 HydrophobicContact CE1-CD1 4.23Å; Y306-I451 HydrophobicContact CE2-CD1 3.81Å; Y306-I451 HydrophobicContact CE2-CG1 4.15Å; V309-I451 HydrophobicContact CB-CD1 4.33Å; V309-I451 HydrophobicContact CG1-CB 4.03Å; V309-I451 HydrophobicContact CG1-CD1 4.07Å; V309-I451 HydrophobicContact CG1-CG1 3.93Å; L310-I451 HydrophobicContact CB-CD1 3.77Å; L310-I451 HydrophobicContact CD1-CD1 4.12Å; E412-I451 WeakPolarHBondContact CA-O 3.12Å; P413-I451 WeakPolarHBondContact CD-O 3.17Å; P413-I451 PolarHBondContact O-N 3.12Å; V449-I451 HydrophobicContact CG1-CG1 4.32Å | ||
| 452 | E | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -123.3 | 123.4 | -175.4 | 170.4 | 166.7 | -128.2 | 0 | 0 | 111.4 | T289 T410 V411 E412 R470 | T289-E452 PolarHBondContact O-N 2.97Å; T289-E452 PolarHBondContact OG1-OE2 3.1Å; T410-E452 WeakPolarHBondContact CB-OE1 3.43Å; V411-E452 WeakPolarHBondContact O-CA 3.38Å; E412-E452 HydrophobicContact CB-CB 3.54Å; E412-E452 HydrophobicContact CB-CG 3.64Å; E412-E452 WeakPolarHBondContact CB-OE1 3.49Å; E452-R470 PolarHBondContact O-NH2 3.18Å |
| 453 | D | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.9 | 176.7 | -74.9 | -52.6 | 0 | 0 | 0 | 109.7 | R314 M317 V411 L464 T466 R470 | R314-D453 IonicContact NH1-OD2 3.46Å; M317-D453 WeakPolarHBondContact CE-OD2 3.23Å; V411-D453 PolarHBondContact N-O 3.33Å; V411-D453 PolarHBondContact O-N 2.97Å; V411-D453 VanDerWaalsContact O-N 3.15Å; D453-L464 HydrophobicContact CB-CD1 3.59Å; D453-T466 WeakPolarHBondContact OD1-CB 3.31Å; D453-T466 VanDerWaalsContact OD1-CG2 3.31Å; D453-T466 WeakPolarHBondContact OD1-CG2 3.25Å; D453-R470 IonicContact OD1-CZ 3.61Å; D453-R470 IonicContact OD1-NE 3.85Å; D453-R470 PolarHBondContact OD1-NE 3.12Å; D453-R470 IonicContact OD1-NH2 3.37Å; D453-R470 PolarHBondContact OD1-NH2 3.13Å; D453-R470 IonicContact OD2-NE 2.68Å; D453-R470 IonicContact OD2-NH2 3.59Å |
| 454 | D | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.9 | 168 | -68.3 | -23.2 | 0 | 0 | 0 | 110.1 | N199 D287 L372 L465 T466 | N199-D454 WeakPolarHBondContact ND2-CB 3.3Å; N199-D454 PolarHBondContact ND2-OD2 2.68Å; N199-D454 WeakPolarHBondContact OD1-CB 3.46Å; N199-D454 PolarHBondContact OD1-OD2 3.23Å; D287-D454 PolarHBondContact N-OD2 2.88Å; D287-D454 VanDerWaalsContact O-CG 3.29Å; L372-D454 HydrophobicContact CD2-CB 4.11Å; L372-D454 WeakPolarHBondContact CD2-OD1 3.39Å; L372-D454 WeakPolarHBondContact CD2-OD2 3.47Å; D454-L465 HydrophobicContact CB-CB 4.17Å; D454-L465 HydrophobicContact CB-CD1 4.28Å; D454-L465 WeakPolarHBondContact O-CB 3.04Å; D454-L465 PolarHBondContact O-N 2.81Å; D454-T466 PolarHBondContact N-OG1 2.87Å |
| 455 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.1 | 177.2 | 67.8 | 81.2 | 0 | 0 | 0 | 111.8 | L320 V408 L409 V411 V457 M462 E463 L464 | L320-I455 HydrophobicContact CD1-CD1 4.16Å; L320-I455 HydrophobicContact CD1-CG1 4.17Å; V408-I455 CarbonylContact C-O 3.59Å; V408-I455 VanDerWaalsContact CA-O 3.24Å; V408-I455 WeakPolarHBondContact CA-O 3.39Å; V408-I455 WeakPolarHBondContact CG1-O 3.49Å; L409-I455 HydrophobicContact CB-CD1 3.94Å; L409-I455 HydrophobicContact CB-CG1 4.26Å; L409-I455 HydrophobicContact CD1-CD1 4.27Å; L409-I455 PolarHBondContact N-O 2.89Å; L409-I455 PolarHBondContact O-N 3.15Å; V411-I455 HydrophobicContact CG2-CG1 4Å; V411-I455 HydrophobicContact CG2-CG2 4.41Å; I455-V457 HydrophobicContact CD1-CG2 3.73Å; I455-M462 HydrophobicContact CB-CB 4.26Å; I455-M462 HydrophobicContact CB-CG 4.43Å; I455-M462 HydrophobicContact CB-SD 4.31Å; I455-M462 HydrophobicContact CD1-CB 4.11Å; I455-M462 HydrophobicContact CG1-CB 4.5Å; I455-M462 HydrophobicContact CG2-CE 4.2Å; I455-M462 HydrophobicContact CG2-SD 4.04Å; I455-E463 CarbonylContact C-O 3.54Å; I455-E463 VanDerWaalsContact CA-O 3.25Å; I455-E463 WeakPolarHBondContact CA-O 3.43Å; I455-E463 WeakPolarHBondContact CB-O 3.4Å; I455-L464 HydrophobicContact CG2-CD1 4.04Å |
| 456 | A | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | L192 V408 T458 M462 E463 L465 | L192-A456 HydrophobicContact CD2-CB 3.77Å; V408-A456 HydrophobicContact CG2-CB 4.13Å; A456-T458 PolarHBondContact O-N 3.23Å; A456-M462 CarbonylContact O-C 3.58Å; A456-M462 VanDerWaalsContact O-CA 3.26Å; A456-M462 WeakPolarHBondContact O-CA 3.44Å; A456-E463 HydrophobicContact CB-CB 4.43Å; A456-E463 PolarHBondContact N-O 3.45Å; A456-E463 PolarHBondContact O-N 3.34Å; A456-L465 HydrophobicContact CB-CD1 4.46Å; A456-L465 HydrophobicContact CB-CD2 4.24Å |
| 457 | V | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.9 | -178.1 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | P322 V403 Q404 R406 M407 L409 I455 | P322-V457 HydrophobicContact CG-CG1 4.01Å; V403-V457 HydrophobicContact CG1-CB 4.29Å; V403-V457 HydrophobicContact CG1-CG1 3.77Å; V403-V457 HydrophobicContact CG1-CG2 3.57Å; Q404-V457 VanDerWaalsContact O-CB 3.31Å; Q404-V457 WeakPolarHBondContact O-CB 3.47Å; Q404-V457 WeakPolarHBondContact O-CG1 3.34Å; R406-V457 PolarHBondContact N-O 3Å; M407-V457 HydrophobicContact CB-CG2 4.13Å; M407-V457 WeakPolarHBondContact O-CG2 3.4Å; M407-V457 PolarHBondContact O-N 3.22Å; L409-V457 HydrophobicContact CD1-CG2 4.03Å; I455-V457 HydrophobicContact CD1-CG2 3.73Å |
| 458 | T | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 28 Ų | 28 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 171.7 | 177 | 68 | 0 | 0 | 0 | 0 | 110.6 | P322 A456 N460 G461 E463 | P322-T458 WeakPolarHBondContact CD-O 3.42Å; P322-T458 VanDerWaalsContact CG-O 3.24Å; P322-T458 WeakPolarHBondContact CG-O 3.2Å; A456-T458 PolarHBondContact O-N 3.23Å; T458-N460 PolarHBondContact O-N 3.32Å; T458-G461 PolarHBondContact N-O 2.69Å; T458-G461 PolarHBondContact O-N 3.15Å; T458-G461 VanDerWaalsContact OG1-C 3.28Å; T458-G461 PolarHBondContact OG1-N 3.29Å; T458-G461 PolarHBondContact OG1-O 3.03Å; T458-E463 HydrophobicContact CG2-CB 4.17Å |
| 459 | A | 97.6 | Very high | 98.5 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 42% | 0.421 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -31.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E405 | E405-A459 PolarHBondContact OE1-N 3.37Š|
| 460 | N | 95.3 | Very high | 98.5 | Very high | 153 Ų | 153 | 29 Ų | 29 | 82% | 0.818 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 8.1 | -172.8 | -60.6 | -48 | 0 | 0 | 0 | 113.9 | T458 | T458-N460 PolarHBondContact O-N 3.32Š|
| 461 | G | 97.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 31 Ų | 31 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -130.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L320 T458 | L320-G461 WeakPolarHBondContact O-CA 3.33Å; T458-G461 PolarHBondContact N-O 2.69Å; T458-G461 PolarHBondContact O-N 3.15Å; T458-G461 VanDerWaalsContact OG1-C 3.28Å; T458-G461 PolarHBondContact OG1-N 3.29Å; T458-G461 PolarHBondContact OG1-O 3.03Å |
| 462 | M | 98.5 | Very high | 98.5 | Very high | 53 Ų | 53 | 31 Ų | 31 | 26% | 0.261 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 161.2 | 174.1 | 65.4 | 73.9 | 163.5 | 0 | 0 | 111.6 | M317 L320 I455 A456 L464 | M317-M462 HydrophobicContact CB-CE 3.53Å; M317-M462 HydrophobicContact CG-CE 3.54Å; M317-M462 HydrophobicContact SD-CE 3.48Å; M317-M462 WeakPolarHBondContact SD-CE 3.34Å; L320-M462 HydrophobicContact CB-CG 4.45Å; I455-M462 HydrophobicContact CB-CB 4.26Å; I455-M462 HydrophobicContact CB-CG 4.43Å; I455-M462 HydrophobicContact CB-SD 4.31Å; I455-M462 HydrophobicContact CD1-CB 4.11Å; I455-M462 HydrophobicContact CG1-CB 4.5Å; I455-M462 HydrophobicContact CG2-CE 4.2Å; I455-M462 HydrophobicContact CG2-SD 4.04Å; A456-M462 CarbonylContact O-C 3.58Å; A456-M462 VanDerWaalsContact O-CA 3.26Å; A456-M462 WeakPolarHBondContact O-CA 3.44Å; M462-L464 HydrophobicContact CE-CB 4.36Å; M462-L464 HydrophobicContact SD-CB 4.24Å |
| 463 | E | 98.8 | Very high | 98.5 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.8 | 163 | 175.8 | -173.1 | 179.7 | 0 | 0 | 107.9 | R196 I455 A456 T458 L465 | R196-E463 IonicContact CZ-OE1 3.87Å; R196-E463 IonicContact CZ-OE2 3.46Å; R196-E463 IonicContact NE-OE1 2.93Å; R196-E463 PolarHBondContact NE-OE1 2.84Å; R196-E463 IonicContact NE-OE2 3.32Å; R196-E463 IonicContact NH2-OE1 2.7Å; R196-E463 PolarHBondContact NH2-OE1 3.33Å; R196-E463 IonicContact NH2-OE2 3.79Å; R196-E463 PolarHBondContact NH2-OE2 2.82Å; I455-E463 CarbonylContact C-O 3.54Å; I455-E463 VanDerWaalsContact CA-O 3.25Å; I455-E463 WeakPolarHBondContact CA-O 3.43Å; I455-E463 WeakPolarHBondContact CB-O 3.4Å; A456-E463 HydrophobicContact CB-CB 4.43Å; A456-E463 PolarHBondContact N-O 3.45Å; A456-E463 PolarHBondContact O-N 3.34Å; T458-E463 HydrophobicContact CG2-CB 4.17Å; E463-L465 HydrophobicContact CG-CD2 4.12Å |
| 464 | L | 98.8 | Very high | 98.4 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 36% | 0.356 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.2 | 173.1 | 176.4 | 63.6 | 0 | 0 | 0 | 109.3 | M317 D453 I455 M462 T466 | M317-L464 HydrophobicContact SD-CD1 4.34Å; D453-L464 HydrophobicContact CB-CD1 3.59Å; I455-L464 HydrophobicContact CG2-CD1 4.04Å; M462-L464 HydrophobicContact CE-CB 4.36Å; M462-L464 HydrophobicContact SD-CB 4.24Å; L464-T466 WeakPolarHBondContact CG-O 3.47Å |
| 465 | L | 98.9 | Very high | 98.4 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -87.9 | -37.3 | 179.7 | -52.6 | -178.7 | 0 | 0 | 0 | 111.3 | L195 R196 N199 V408 D454 A456 E463 | L195-L465 HydrophobicContact CB-CD1 4.28Å; R196-L465 HydrophobicContact CG-CD2 3.84Å; N199-L465 HydrophobicContact CB-CB 3.89Å; N199-L465 WeakPolarHBondContact CB-O 3.35Å; V408-L465 HydrophobicContact CG1-CD1 4.18Å; D454-L465 HydrophobicContact CB-CB 4.17Å; D454-L465 HydrophobicContact CB-CD1 4.28Å; D454-L465 WeakPolarHBondContact O-CB 3.04Å; D454-L465 PolarHBondContact O-N 2.81Å; A456-L465 HydrophobicContact CB-CD1 4.46Å; A456-L465 HydrophobicContact CB-CD2 4.24Å; E463-L465 HydrophobicContact CG-CD2 4.12Å | ||
| 466 | T | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -73 | 140.5 | -177.9 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | N199 I288 D453 D454 L464 V468 | N199-T466 WeakPolarHBondContact OD1-CA 3.27Å; N199-T466 PolarHBondContact OD1-N 3.08Å; N199-T466 PolarHBondContact OD1-OG1 3.19Å; I288-T466 HydrophobicContact CD1-CG2 3.84Å; I288-T466 HydrophobicContact CG1-CG2 3.9Å; I288-T466 HydrophobicContact CG2-CG2 3.86Å; D453-T466 WeakPolarHBondContact OD1-CB 3.31Å; D453-T466 VanDerWaalsContact OD1-CG2 3.31Å; D453-T466 WeakPolarHBondContact OD1-CG2 3.25Å; D454-T466 PolarHBondContact N-OG1 2.87Å; L464-T466 WeakPolarHBondContact CG-O 3.47Å; T466-V468 HydrophobicContact CG2-CG1 4.39Å; T466-V468 HydrophobicContact CG2-CG2 4.17Å | ||
| 467 | C | 98.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 45 Ų | 45 | 55% | 0.554 | 26% | 0.259 | S | S | * | . | trans | -138.8 | 82 | 179.8 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | S203 K207 | S203-C467 WeakPolarHBondContact CB-O 3.39Å; S203-C467 PolarHBondContact OG-N 2.83Å; K207-C467 WeakPolarHBondContact CE-O 3.34Å; K207-C467 PolarHBondContact NZ-O 3.46Å | ||
| 468 | V | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | trans | -127.2 | 160.3 | 176.5 | -61.2 | 0 | 0 | 0 | 0 | 111 | H206 M210 T466 R470 | H206-V468 HydrophobicContact CB-CG1 4.05Å; M210-V468 HydrophobicContact CE-CB 4.49Å; T466-V468 HydrophobicContact CG2-CG1 4.39Å; T466-V468 HydrophobicContact CG2-CG2 4.17Å; V468-R470 HydrophobicContact CG2-CG 4.34Å; V468-R470 VanDerWaalsContact CG2-NE 3.35Å; V468-R470 PolarHBondContact O-N 3.5Å | ||
| 469 | P | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | trans | -54.1 | 132.2 | 168.3 | -26.9 | 36.1 | 0 | 0 | 0 | 111.9 | M210 E474 I475 F478 | M210-P469 HydrophobicContact CE-CG 4.23Å; P469-E474 HydrophobicContact CB-CB 3.99Å; P469-I475 HydrophobicContact CB-CG1 3.8Å; P469-F478 HydrophobicContact CB-CB 4.49Å; P469-F478 HydrophobicContact CG-CB 3.93Å; P469-F478 HydrophobicContact CG-CD1 4.14Å; P469-F478 HydrophobicContact CG-CD2 4.05Å; P469-F478 HydrophobicContact CG-CG 3.77Å | ||
| 470 | R | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | trans | -131.3 | -28 | -176.6 | -69 | -64.2 | -169.7 | -154.5 | -0.9 | 114.3 | T289 Y306 L310 E452 D453 V468 E474 | T289-R470 PolarHBondContact O-NH1 2.88Å; Y306-R470 VanDerWaalsContact CE1-O 3.24Å; Y306-R470 WeakPolarHBondContact CE1-O 3.38Å; Y306-R470 PolarHBondContact OH-O 3.27Å; L310-R470 HydrophobicContact CD1-CB 4.1Å; L310-R470 WeakPolarHBondContact CD2-O 3.41Å; E452-R470 PolarHBondContact O-NH2 3.18Å; D453-R470 IonicContact OD1-CZ 3.61Å; D453-R470 IonicContact OD1-NE 3.85Å; D453-R470 PolarHBondContact OD1-NE 3.12Å; D453-R470 IonicContact OD1-NH2 3.37Å; D453-R470 PolarHBondContact OD1-NH2 3.13Å; D453-R470 IonicContact OD2-NE 2.68Å; D453-R470 IonicContact OD2-NH2 3.59Å; V468-R470 HydrophobicContact CG2-CG 4.34Å; V468-R470 VanDerWaalsContact CG2-NE 3.35Å; V468-R470 PolarHBondContact O-N 3.5Å; R470-E474 PolarHBondContact N-OE2 3.2Å | ||
| 471 | T | 98.8 | Very high | 97.5 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -77.5 | 157 | 171.2 | 71.7 | 0 | 0 | 0 | 0 | 110 | E473 E474 I475 | T471-E473 PolarHBondContact O-N 3.22Å; T471-E474 PolarHBondContact N-OE2 3.38Å; T471-E474 PolarHBondContact O-N 3.18Å; T471-E474 VanDerWaalsContact OG1-CB 3.32Å; T471-E474 WeakPolarHBondContact OG1-CB 3.24Å; T471-E474 WeakPolarHBondContact OG1-CG 3.41Å; T471-E474 PolarHBondContact OG1-N 3.37Å; T471-I475 WeakPolarHBondContact O-CG1 3.45Å; T471-I475 PolarHBondContact O-N 2.87Å |
| 472 | V | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.6 | -44.4 | 173.8 | 169.3 | 0 | 0 | 0 | 0 | 109.8 | F298 R303 Y306 E307 I475 E476 | F298-V472 HydrophobicContact CB-CG1 4.37Å; F298-V472 HydrophobicContact CD2-CB 4.42Å; F298-V472 HydrophobicContact CD2-CG1 3.67Å; F298-V472 HydrophobicContact CD2-CG2 4.41Å; F298-V472 HydrophobicContact CE2-CB 4.45Å; F298-V472 HydrophobicContact CE2-CG1 4.14Å; F298-V472 HydrophobicContact CE2-CG2 4.37Å; F298-V472 HydrophobicContact CG-CG1 4.15Å; R303-V472 HydrophobicContact CG-CG2 4.2Å; Y306-V472 HydrophobicContact CD1-CG2 3.75Å; Y306-V472 HydrophobicContact CE1-CG2 4.22Å; E307-V472 HydrophobicContact CG-CG2 3.97Å; V472-I475 PolarHBondContact O-N 3.25Å; V472-E476 HydrophobicContact CG1-CG 4.38Å; V472-E476 WeakPolarHBondContact O-CB 3.4Å; V472-E476 WeakPolarHBondContact O-CG 3.28Å; V472-E476 PolarHBondContact O-N 3.47Å |
| 473 | E | 98.6 | Very high | 94.3 | Very high | 99 Ų | 99 | 48.4 Ų | 48.4 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 179.8 | -64.6 | 69.4 | -149.5 | 0 | 0 | 112 | R303 T471 A477 | R303-E473 IonicContact CZ-OE1 3.97Å; R303-E473 IonicContact NH1-OE1 2.66Å; R303-E473 PolarHBondContact NH1-OE1 2.99Å; R303-E473 IonicContact NH2-OE1 3.21Å; R303-E473 PolarHBondContact NH2-OE1 3.43Å; T471-E473 PolarHBondContact O-N 3.22Å; E473-A477 WeakPolarHBondContact O-CB 3.48Å; E473-A477 PolarHBondContact O-N 3.43Å |
| 474 | E | 98.4 | Very high | 92.2 | Very high | 96 Ų | 96 | 51.7 Ų | 51.7 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.9 | -75.9 | 166.5 | 174 | 0 | 0 | 111.5 | P469 R470 T471 F478 | P469-E474 HydrophobicContact CB-CB 3.99Å; R470-E474 PolarHBondContact N-OE2 3.2Å; T471-E474 PolarHBondContact N-OE2 3.38Å; T471-E474 PolarHBondContact O-N 3.18Å; T471-E474 VanDerWaalsContact OG1-CB 3.32Å; T471-E474 WeakPolarHBondContact OG1-CB 3.24Å; T471-E474 WeakPolarHBondContact OG1-CG 3.41Å; T471-E474 PolarHBondContact OG1-N 3.37Å; E474-F478 WeakPolarHBondContact O-CB 3.3Å; E474-F478 PolarHBondContact O-N 3.41Å |
| 475 | I | 98.7 | Very high | 90 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -51.4 | -179.7 | -71.5 | 170.3 | 0 | 0 | 0 | 110.5 | F292 F298 Y306 P469 T471 V472 A477 F478 M479 | F292-I475 HydrophobicContact CB-CG2 3.65Å; F298-I475 HydrophobicContact CE2-CB 4.11Å; F298-I475 HydrophobicContact CE2-CG2 3.79Å; F298-I475 HydrophobicContact CZ-CD1 4.18Å; F298-I475 HydrophobicContact CZ-CG2 4.22Å; Y306-I475 HydrophobicContact CE1-CD1 4.18Å; Y306-I475 HydrophobicContact CE2-CD1 4.02Å; Y306-I475 VanDerWaalsContact CZ-CD1 3.5Å; Y306-I475 WeakPolarHBondContact OH-CD1 3.41Å; P469-I475 HydrophobicContact CB-CG1 3.8Å; T471-I475 WeakPolarHBondContact O-CG1 3.45Å; T471-I475 PolarHBondContact O-N 2.87Å; V472-I475 PolarHBondContact O-N 3.25Å; I475-A477 VanDerWaalsContact C-N 3.32Å; I475-A477 PolarHBondContact O-N 3.07Å; I475-F478 PolarHBondContact O-N 3.25Å; I475-M479 HydrophobicContact CG2-CG 4.36Å; I475-M479 HydrophobicContact CG2-SD 3.9Å; I475-M479 WeakPolarHBondContact O-CG 3.04Å; I475-M479 PolarHBondContact O-N 3.17Å |
| 476 | E | 98.4 | Very high | 87.9 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | -179.6 | -70.3 | -162.4 | 172.5 | 0 | 0 | 112.1 | G296 K297 F298 V472 A480 | G296-E476 WeakPolarHBondContact O-CG 3.39Å; K297-E476 VanDerWaalsContact CD-CD 3.5Å; K297-E476 HydrophobicContact CD-CG 4.23Å; K297-E476 VanDerWaalsContact CD-OE2 3.26Å; K297-E476 WeakPolarHBondContact CD-OE2 3.43Å; K297-E476 IonicContact NZ-OE2 2.64Å; K297-E476 PolarHBondContact NZ-OE2 3.21Å; F298-E476 HydrophobicContact CD2-CG 3.9Å; F298-E476 HydrophobicContact CE2-CG 4.36Å; F298-E476 PolarHBondContact N-OE1 3.15Å; V472-E476 HydrophobicContact CG1-CG 4.38Å; V472-E476 WeakPolarHBondContact O-CB 3.4Å; V472-E476 WeakPolarHBondContact O-CG 3.28Å; V472-E476 PolarHBondContact O-N 3.47Å; E476-A480 VanDerWaalsContact O-CB 3.27Å; E476-A480 WeakPolarHBondContact O-CB 3.35Å; E476-A480 PolarHBondContact O-N 2.78Å; E476-A480 VanDerWaalsContact O-N 3.14Å |
| 477 | A | 97.4 | Very high | 85.5 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E473 I475 A480 D481 | E473-A477 WeakPolarHBondContact O-CB 3.48Å; E473-A477 PolarHBondContact O-N 3.43Å; I475-A477 VanDerWaalsContact C-N 3.32Å; I475-A477 PolarHBondContact O-N 3.07Å; A477-A480 PolarHBondContact O-N 2.99Å; A477-D481 PolarHBondContact O-N 3.24Å; A477-D481 VanDerWaalsContact O-N 3.17Å |
| 478 | F | 96.1 | Very high | 83 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -37.1 | -178 | -162.4 | -93.7 | 0 | 0 | 0 | 112.9 | K207 M210 K211 P469 E474 I475 | K207-F478 HydrophobicContact CB-CE1 3.53Å; K207-F478 HydrophobicContact CB-CZ 3.53Å; K207-F478 HydrophobicContact CD-CE2 4.34Å; K207-F478 HydrophobicContact CD-CZ 3.89Å; K207-F478 HydrophobicContact CG-CE1 3.79Å; K207-F478 HydrophobicContact CG-CE2 4.37Å; K207-F478 HydrophobicContact CG-CZ 3.62Å; K207-F478 WeakPolarHBondContact O-CE1 3.25Å; M210-F478 HydrophobicContact CB-CD1 4.39Å; K211-F478 HydrophobicContact CD-CE1 3.91Å; K211-F478 HydrophobicContact CD-CZ 4.21Å; K211-F478 VanDerWaalsContact CE-CE1 3.46Å; K211-F478 VanDerWaalsContact CE-CZ 3.44Å; K211-F478 HydrophobicContact CG-CD1 4.17Å; K211-F478 HydrophobicContact CG-CE1 3.79Å; P469-F478 HydrophobicContact CB-CB 4.49Å; P469-F478 HydrophobicContact CG-CB 3.93Å; P469-F478 HydrophobicContact CG-CD1 4.14Å; P469-F478 HydrophobicContact CG-CD2 4.05Å; P469-F478 HydrophobicContact CG-CG 3.77Å; E474-F478 WeakPolarHBondContact O-CB 3.3Å; E474-F478 PolarHBondContact O-N 3.41Å; I475-F478 PolarHBondContact O-N 3.25Å |
| 479 | M | 96.4 | Very high | 80.3 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.9 | -27.5 | 177.1 | -67.8 | -173.9 | 71.2 | 0 | 0 | 112.8 | M210 V213 R214 F292 P293 I475 | M210-M479 HydrophobicContact CB-CG 4.17Å; V213-M479 HydrophobicContact CG1-CE 3.46Å; V213-M479 VanDerWaalsContact CG1-CE 3.46Å; R214-M479 PolarHBondContact NH2-O 3.14Å; F292-M479 HydrophobicContact CB-SD 4.01Å; F292-M479 HydrophobicContact CD2-CE 3.89Å; F292-M479 HydrophobicContact CD2-SD 3.91Å; F292-M479 HydrophobicContact CE2-CE 4.38Å; F292-M479 HydrophobicContact CG-SD 4.16Å; P293-M479 WeakPolarHBondContact O-CE 3.36Å; I475-M479 HydrophobicContact CG2-CG 4.36Å; I475-M479 HydrophobicContact CG2-SD 3.9Å; I475-M479 WeakPolarHBondContact O-CG 3.04Å; I475-M479 PolarHBondContact O-N 3.17Å |
| 480 | A | 94.1 | Very high | 77.4 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 60% | 0.595 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -81.7 | -18.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E476 A477 S482 | E476-A480 VanDerWaalsContact O-CB 3.27Å; E476-A480 WeakPolarHBondContact O-CB 3.35Å; E476-A480 PolarHBondContact O-N 2.78Å; E476-A480 VanDerWaalsContact O-N 3.14Å; A477-A480 PolarHBondContact O-N 2.99Å; A480-S482 PolarHBondContact O-N 3.47Å |
| 481 | D | 85.4 | Confident | 74.4 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 27% | 0.267 | 43% | 0.434 | S | S | . | . | trans | -66.7 | 109 | -179.6 | -179.8 | 11.9 | 0 | 0 | 0 | 112.1 | A477 D483 | A477-D481 PolarHBondContact O-N 3.24Å; A477-D481 VanDerWaalsContact O-N 3.17Å; D481-D483 PolarHBondContact OD1-N 3.06Å | ||
| 482 | S | 69.8 | Low | 73.2 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | trans | -83.5 | -11.9 | 178.7 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | A480 K484 | A480-S482 PolarHBondContact O-N 3.47Å; S482-K484 PolarHBondContact O-N 3.16Å | ||
| 483 | D | 60.7 | Low | 71.8 | Confident | 144 Ų | 144 | 81.8 Ų | 81.8 | 77% | 0.77 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7 | -165.9 | -73 | -11.7 | 0 | 0 | 0 | 113.6 | D481 | D481-D483 PolarHBondContact OD1-N 3.06Š|
| 484 | K | 54.1 | Low | 70.4 | Confident | 131 Ų | 131 | 80.9 Ų | 80.9 | 57% | 0.57 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.9 | 42.1 | -173.3 | -70.6 | -179.1 | -179.5 | 174 | 0 | 112.8 | K211 S482 F486 | K211-K484 HydrophobicContact CD-CB 4.4Å; K211-K484 VanDerWaalsContact NZ-CD 3.29Å; S482-K484 PolarHBondContact O-N 3.16Å; K484-F486 PolarHBondContact O-N 2.89Å |
| 485 | N | 53.2 | Low | 68.7 | Low | 93 Ų | 93 | 80 Ų | 80 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | trans | -66.9 | 124.5 | 164.6 | -77.4 | -13.8 | 0 | 0 | 0 | 108.4 | D487 | N485-D487 PolarHBondContact O-N 2.78Å; N485-D487 VanDerWaalsContact O-N 3.15Å | ||
| 486 | F | 53.4 | Low | 66.8 | Low | 42 Ų | 42 | 84.9 Ų | 84.9 | 18% | 0.184 | 49% | 0.494 | C | S | . | . | trans | -70.9 | 105 | 162.4 | -175.4 | -100 | 0 | 0 | 0 | 106.7 | M208 H228 K484 A488 A491 | M208-F486 HydrophobicContact CE-CB 3.22Å; M208-F486 HydrophobicContact CE-CD1 4.33Å; M208-F486 HydrophobicContact CE-CD2 3.62Å; M208-F486 HydrophobicContact CE-CG 3.51Å; M208-F486 HydrophobicContact SD-CB 3.29Å; M208-F486 WeakPolarHBondContact SD-CB 3.44Å; M208-F486 HydrophobicContact SD-CG 4.05Å; H228-F486 AromaticContact CD2-CE1 3.99Å; H228-F486 AromaticContact NE2-CE1 3.68Å; H228-F486 AromaticContact NE2-CZ 3.98Å; K484-F486 PolarHBondContact O-N 2.89Å; F486-A488 VanDerWaalsContact C-N 3.3Å; F486-A488 PolarHBondContact O-N 2.72Å; F486-A491 HydrophobicContact CE1-CB 3.5Å; F486-A491 VanDerWaalsContact CE1-CB 3.5Å; F486-A491 HydrophobicContact CE2-CB 4.37Å; F486-A491 HydrophobicContact CZ-CB 3.37Å | ||
| 487 | D | 50.1 | Low | 64.7 | Low | 103 Ų | 103 | 87.9 Ų | 87.9 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | trans | -63.9 | 99.6 | 167.4 | -82.6 | -24.4 | 0 | 0 | 0 | 107.4 | N485 E489 N490 | N485-D487 PolarHBondContact O-N 2.78Å; N485-D487 VanDerWaalsContact O-N 3.15Å; D487-E489 PolarHBondContact O-N 2.93Å; D487-N490 PolarHBondContact O-N 3.37Å | ||
| 488 | A | 45.9 | Very low | 62.4 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -57.6 | -15.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F486 N490 | F486-A488 VanDerWaalsContact C-N 3.3Å; F486-A488 PolarHBondContact O-N 2.72Å; A488-N490 VanDerWaalsContact C-N 3.32Å |
| 489 | E | 40.7 | Very low | 59.8 | Low | 184 Ų | 184 | 93.5 Ų | 93.5 | 86% | 0.86 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -74.9 | -13.9 | 174.1 | -66.8 | -170.4 | 164.9 | 0 | 0 | 114.1 | D487 | D487-E489 PolarHBondContact O-N 2.93Š|
| 490 | N | 38.6 | Very low | 56.8 | Low | 144 Ų | 144 | 100.9 Ų | 100.9 | 77% | 0.77 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -117.5 | 17.8 | 178.2 | -79.9 | -40.8 | 0 | 0 | 0 | 113.5 | D487 A488 | D487-N490 PolarHBondContact O-N 3.37Å; A488-N490 VanDerWaalsContact C-N 3.32Å |
| 491 | A | 35.2 | Very low | 53.4 | Low | 85 Ų | 85 | 103.5 Ų | 103.5 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | trans | -102.5 | 0 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F486 | F486-A491 HydrophobicContact CE1-CB 3.5Å; F486-A491 VanDerWaalsContact CE1-CB 3.5Å; F486-A491 HydrophobicContact CE2-CB 4.37Å; F486-A491 HydrophobicContact CZ-CB 3.37Å |
Retrieved 491 of 491 residues in 393.1 ms
(Link to these results)