| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 82.5 | Confident | 223 Ų | 223 | 56.2 Ų | 56.2 | 100% | 1.099 | 32% | 0.316 | S | S | * | . | 0 | 133.8 | 0 | -69.9 | -72.4 | -166.7 | 0 | 0 | 108.3 | |||||
| 2 | P | 56.8 | Low | 83.7 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 138.5 | 171.4 | 8.3 | -3 | 0 | 0 | 0 | 110.2 | R340 | P2-R340 HydrophobicContact CB-CB 4.49Š|
| 3 | T | 72.4 | Confident | 84.7 | Confident | 116 Ų | 116 | 49.2 Ų | 49.2 | 71% | 0.712 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 134.3 | 175.6 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 4 | S | 80 | Confident | 85.4 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 47% | 0.469 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -67 | 132.4 | 172.1 | -166.3 | 0 | 0 | 0 | 0 | 109.6 | N337 | S4-N337 WeakPolarHBondContact CA-O 3.44Š|
| 5 | E | 88.2 | Confident | 86 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.3 | 171.6 | -173.1 | 173.9 | 177.3 | 0 | 0 | 108.2 | R8 N337 P339 | E5-R8 IonicContact OE1-CZ 2.73Å; E5-R8 IonicContact OE1-NE 3.87Å; E5-R8 PolarHBondContact OE1-NE 3.32Å; E5-R8 VanDerWaalsContact OE1-NE 3.15Å; E5-R8 IonicContact OE1-NH2 3.58Å; E5-R8 PolarHBondContact OE1-NH2 2.88Å; E5-N337 PolarHBondContact N-O 3.02Å; E5-N337 PolarHBondContact O-N 3.45Å; E5-P339 HydrophobicContact CB-CG 4.19Å |
| 6 | C | 90 | Very high | 86.5 | Confident | 61 Ų | 61 | 47.6 Ų | 47.6 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 153.7 | 173.5 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | R8 K333 I335 | C6-R8 PolarHBondContact O-N 3.23Å; C6-K333 WeakPolarHBondContact CB-O 3.02Å; C6-I335 CarbonylContact C-O 3.52Å; C6-I335 VanDerWaalsContact CA-O 3.23Å; C6-I335 WeakPolarHBondContact CA-O 3.28Å |
| 7 | V | 93.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -60 | 128 | 169 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | V9 T306 M308 I335 | V7-V9 HydrophobicContact CG1-CG2 4.36Å; V7-T306 HydrophobicContact CG1-CG2 4.06Å; V7-T306 HydrophobicContact CG2-CG2 4.42Å; V7-M308 HydrophobicContact CG1-CB 4.35Å; V7-I335 HydrophobicContact CB-CB 4.38Å; V7-I335 HydrophobicContact CG2-CB 3.71Å; V7-I335 HydrophobicContact CG2-CD1 4.44Å; V7-I335 HydrophobicContact CG2-CG2 3.79Å; V7-I335 PolarHBondContact N-O 2.94Å |
| 8 | R | 94.1 | Very high | 87 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.6 | 176.1 | -64.9 | -172 | -140.7 | 158.4 | 10.2 | 109.7 | E5 C6 D56 T306 I307 M308 | E5-R8 IonicContact OE1-CZ 2.73Å; E5-R8 IonicContact OE1-NE 3.87Å; E5-R8 PolarHBondContact OE1-NE 3.32Å; E5-R8 VanDerWaalsContact OE1-NE 3.15Å; E5-R8 IonicContact OE1-NH2 3.58Å; E5-R8 PolarHBondContact OE1-NH2 2.88Å; C6-R8 PolarHBondContact O-N 3.23Å; R8-D56 VanDerWaalsContact CA-OD2 3.28Å; R8-D56 WeakPolarHBondContact CA-OD2 3.3Å; R8-T306 PolarHBondContact N-O 2.87Å; R8-I307 HydrophobicContact CB-CG1 4.33Å; R8-I307 CarbonylContact O-C 3.42Å; R8-I307 WeakPolarHBondContact O-CA 3.33Å; R8-M308 PolarHBondContact O-N 3.39Å |
| 9 | V | 96.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.4 | -177.4 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | V7 F55 D56 M308 A329 A332 K333 | V7-V9 HydrophobicContact CG1-CG2 4.36Å; V9-F55 HydrophobicContact CB-CD1 4.19Å; V9-F55 HydrophobicContact CG1-CD1 3.52Å; V9-F55 HydrophobicContact CG1-CE1 3.93Å; V9-F55 HydrophobicContact CG1-CG 4.48Å; V9-D56 PolarHBondContact N-OD2 3.43Å; V9-D56 WeakPolarHBondContact O-CB 3.32Å; V9-D56 PolarHBondContact O-N 3.22Å; V9-M308 HydrophobicContact CG2-CB 4.3Å; V9-A329 HydrophobicContact CG1-CB 3.65Å; V9-A332 HydrophobicContact CG2-CB 4.17Å; V9-K333 HydrophobicContact CB-CB 4.32Å; V9-K333 HydrophobicContact CG2-CB 3.81Å; V9-K333 HydrophobicContact CG2-CG 4.39Å |
| 10 | V | 96.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.2 | -179.1 | 175 | 0 | 0 | 0 | 0 | 108.7 | A57 F59 V72 I307 M308 I309 A310 | V10-A57 WeakPolarHBondContact CA-O 3.44Å; V10-A57 HydrophobicContact CG1-CB 4.35Å; V10-A57 HydrophobicContact CG2-CB 4.25Å; V10-F59 HydrophobicContact CG1-CD2 3.41Å; V10-F59 VanDerWaalsContact CG1-CD2 3.41Å; V10-F59 HydrophobicContact CG1-CE2 3.33Å; V10-V72 HydrophobicContact CG2-CB 4.21Å; V10-V72 HydrophobicContact CG2-CG1 3.63Å; V10-V72 HydrophobicContact CG2-CG2 3.82Å; V10-I307 HydrophobicContact CG2-CG2 4.35Å; V10-M308 PolarHBondContact N-O 3.38Å; V10-I309 CarbonylContact O-C 3.55Å; V10-I309 WeakPolarHBondContact O-CA 3.45Å; V10-A310 PolarHBondContact O-N 3.39Å |
| 11 | V | 97.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137 | 172.1 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | C38 F55 A57 V58 F59 A310 L312 L326 | V11-C38 HydrophobicContact CG1-CB 4.46Å; V11-F55 HydrophobicContact CB-CD2 4.12Å; V11-F55 HydrophobicContact CB-CE2 4.48Å; V11-F55 HydrophobicContact CG2-CB 4.39Å; V11-F55 HydrophobicContact CG2-CD1 4.09Å; V11-F55 HydrophobicContact CG2-CD2 3.28Å; V11-F55 HydrophobicContact CG2-CE1 4.17Å; V11-F55 HydrophobicContact CG2-CE2 3.37Å; V11-F55 HydrophobicContact CG2-CG 3.65Å; V11-F55 HydrophobicContact CG2-CZ 3.83Å; V11-A57 PolarHBondContact N-O 3.35Å; V11-V58 HydrophobicContact CB-CG2 4.39Å; V11-V58 CarbonylContact O-C 3.59Å; V11-V58 WeakPolarHBondContact O-CA 3.31Å; V11-F59 PolarHBondContact O-N 2.94Å; V11-A310 WeakPolarHBondContact CA-O 3.4Å; V11-A310 HydrophobicContact CG2-CB 4.1Å; V11-L312 HydrophobicContact CG1-CD1 3.37Å; V11-L312 HydrophobicContact CG1-CG 4.08Å; V11-L326 HydrophobicContact CG2-CD2 4.14Å |
| 12 | R | 97 | Very high | 90.1 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 6% | 0.06 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.1 | 170.6 | -172.5 | -176.3 | -172 | 169.6 | 9 | 109.7 | F59 A63 T65 L68 T101 A310 C311 L312 | R12-F59 WeakPolarHBondContact CA-O 3.5Å; R12-F59 HydrophobicContact CB-CB 4.35Å; R12-F59 HydrophobicContact CG-CB 4.15Å; R12-A63 PolarHBondContact NH2-O 3.07Å; R12-T65 PolarHBondContact NH1-OG1 2.84Å; R12-T65 PolarHBondContact NH2-OG1 2.73Å; R12-L68 HydrophobicContact CB-CD1 4.35Å; R12-L68 HydrophobicContact CG-CD1 4.38Å; R12-T101 WeakPolarHBondContact CD-OG1 3.23Å; R12-T101 PolarHBondContact NH1-OG1 3.03Å; R12-A310 PolarHBondContact N-O 3.25Å; R12-C311 WeakPolarHBondContact O-CA 3.39Å; R12-L312 PolarHBondContact O-N 3.02Å |
| 13 | S | 96.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.9 | 170.2 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | F59 D60 | S13-F59 PolarHBondContact N-O 2.78Å; S13-D60 CarbonylContact O-C 3.5Å; S13-D60 VanDerWaalsContact O-O 3.1Å |
| 14 | R | 95 | Very high | 92.7 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -94 | 163.5 | 173.1 | 65.1 | 152 | 175.6 | 79 | -1.8 | 111.2 | E20 G95 L312 S313 P314 | R14-E20 IonicContact CZ-OE1 3.45Å; R14-E20 IonicContact CZ-OE2 2.7Å; R14-E20 IonicContact NH1-OE1 3.15Å; R14-E20 IonicContact NH1-OE2 3.77Å; R14-E20 PolarHBondContact NH1-OE2 2.85Å; R14-E20 VanDerWaalsContact NH2-CD 3.31Å; R14-E20 IonicContact NH2-OE1 2.83Å; R14-E20 PolarHBondContact NH2-OE1 3.31Å; R14-E20 IonicContact NH2-OE2 3.58Å; R14-E20 PolarHBondContact NH2-OE2 3.49Å; R14-G95 PolarHBondContact NE-O 3.25Å; R14-G95 PolarHBondContact NH2-O 3.21Å; R14-L312 PolarHBondContact N-O 2.85Å; R14-S313 PolarHBondContact NH2-OG 2.9Å; R14-P314 WeakPolarHBondContact O-CD 3.41Å; R14-P314 WeakPolarHBondContact O-CG 3.46Å |
| 15 | P | 94.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 49 Ų | 49 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 164.7 | 165.9 | 28 | -35.3 | 0 | 0 | 0 | 111.8 | K61 | P15-K61 HydrophobicContact CB-CB 4.18Š|
| 16 | L | 94 | Very high | 93.6 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 137.4 | 169.6 | -68.9 | 173.3 | 0 | 0 | 0 | 110.4 | E20 M21 C25 Y27 P314 A315 | L16-E20 WeakPolarHBondContact CA-OE2 3.31Å; L16-E20 HydrophobicContact CB-CB 4.43Å; L16-E20 HydrophobicContact CD2-CB 3.98Å; L16-M21 HydrophobicContact CB-CG 3.88Å; L16-M21 HydrophobicContact CD1-CG 4.49Å; L16-C25 HydrophobicContact CD2-CB 4.34Å; L16-Y27 HydrophobicContact CD1-CD2 3.8Å; L16-Y27 HydrophobicContact CD1-CE2 3.29Å; L16-Y27 HydrophobicContact CG-CD2 4.32Å; L16-Y27 HydrophobicContact CG-CE1 4.12Å; L16-Y27 HydrophobicContact CG-CE2 3.72Å; L16-Y27 PolarHBondContact N-OH 3.5Å; L16-P314 HydrophobicContact CD2-CG 3.9Å; L16-P314 HydrophobicContact CG-CG 4.23Å; L16-A315 HydrophobicContact CD2-CB 3.66Å |
| 17 | N | 91.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 169.7 | 175.2 | 70.8 | 17.8 | 0 | 0 | 0 | 111.1 | Q19 E20 M21 | N17-Q19 PolarHBondContact O-N 3.37Å; N17-Q19 PolarHBondContact OD1-N 2.86Å; N17-E20 PolarHBondContact N-OE2 3.28Å; N17-E20 PolarHBondContact O-N 2.95Å; N17-E20 VanDerWaalsContact OD1-CB 3.3Å; N17-E20 WeakPolarHBondContact OD1-CB 3.48Å; N17-E20 WeakPolarHBondContact OD1-CG 3.33Å; N17-E20 PolarHBondContact OD1-N 3.38Å; N17-E20 PolarHBondContact OD1-OE2 2.91Å; N17-M21 WeakPolarHBondContact O-CG 3.36Å; N17-M21 PolarHBondContact O-N 3.39Å |
| 18 | E | 90.4 | Very high | 93.9 | Very high | 164 Ų | 164 | 52.5 Ų | 52.5 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.7 | -38.3 | -178.4 | -65.4 | 177.4 | -178.5 | 0 | 0 | 112.9 | M21 S22 | E18-M21 HydrophobicContact CG-CE 4.26Å; E18-M21 PolarHBondContact O-N 3.23Å; E18-S22 WeakPolarHBondContact O-CB 3.49Å; E18-S22 PolarHBondContact O-N 2.91Å |
| 19 | Q | 88.8 | Confident | 93.9 | Very high | 131 Ų | 131 | 51.4 Ų | 51.4 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.8 | -46.2 | 178.6 | -170.2 | -179.4 | 3.6 | 0 | 0 | 111.9 | N17 M21 S22 M23 | N17-Q19 PolarHBondContact O-N 3.37Å; N17-Q19 PolarHBondContact OD1-N 2.86Å; Q19-M21 VanDerWaalsContact C-N 3.34Å; Q19-S22 PolarHBondContact O-N 2.82Å; Q19-S22 PolarHBondContact O-OG 3.49Å; Q19-M23 HydrophobicContact CG-CE 4.17Å; Q19-M23 WeakPolarHBondContact O-CG 3.44Å; Q19-M23 PolarHBondContact O-N 3.24Å |
| 20 | E | 93 | Very high | 93.8 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.1 | -70.6 | 163.2 | 167 | 0 | 0 | 111.5 | R14 L16 N17 M23 G24 C25 S313 A315 N318 | R14-E20 IonicContact CZ-OE1 3.45Å; R14-E20 IonicContact CZ-OE2 2.7Å; R14-E20 IonicContact NH1-OE1 3.15Å; R14-E20 IonicContact NH1-OE2 3.77Å; R14-E20 PolarHBondContact NH1-OE2 2.85Å; R14-E20 VanDerWaalsContact NH2-CD 3.31Å; R14-E20 IonicContact NH2-OE1 2.83Å; R14-E20 PolarHBondContact NH2-OE1 3.31Å; R14-E20 IonicContact NH2-OE2 3.58Å; R14-E20 PolarHBondContact NH2-OE2 3.49Å; L16-E20 WeakPolarHBondContact CA-OE2 3.31Å; L16-E20 HydrophobicContact CB-CB 4.43Å; L16-E20 HydrophobicContact CD2-CB 3.98Å; N17-E20 PolarHBondContact N-OE2 3.28Å; N17-E20 PolarHBondContact O-N 2.95Å; N17-E20 VanDerWaalsContact OD1-CB 3.3Å; N17-E20 WeakPolarHBondContact OD1-CB 3.48Å; N17-E20 WeakPolarHBondContact OD1-CG 3.33Å; N17-E20 PolarHBondContact OD1-N 3.38Å; N17-E20 PolarHBondContact OD1-OE2 2.91Å; E20-M23 HydrophobicContact CB-CE 4.49Å; E20-M23 HydrophobicContact CG-CE 4.15Å; E20-M23 PolarHBondContact O-N 3.28Å; E20-G24 PolarHBondContact O-N 2.81Å; E20-C25 HydrophobicContact CB-CB 4.08Å; E20-C25 WeakPolarHBondContact O-CB 3.42Å; E20-C25 PolarHBondContact O-N 3.29Å; E20-S313 PolarHBondContact OE1-OG 3.25Å; E20-A315 HydrophobicContact CB-CB 4.34Å; E20-A315 HydrophobicContact CG-CB 3.86Å; E20-N318 PolarHBondContact OE1-ND2 2.81Å |
| 21 | M | 93.5 | Very high | 93.7 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 57% | 0.567 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 172.2 | -70.2 | -171.3 | -68.7 | 0 | 0 | 111.4 | L16 N17 E18 Q19 M23 G24 | L16-M21 HydrophobicContact CB-CG 3.88Å; L16-M21 HydrophobicContact CD1-CG 4.49Å; N17-M21 WeakPolarHBondContact O-CG 3.36Å; N17-M21 PolarHBondContact O-N 3.39Å; E18-M21 HydrophobicContact CG-CE 4.26Å; E18-M21 PolarHBondContact O-N 3.23Å; Q19-M21 VanDerWaalsContact C-N 3.34Å; M21-M23 VanDerWaalsContact C-N 3.28Å; M21-M23 PolarHBondContact O-N 2.97Å; M21-G24 PolarHBondContact O-N 3.29Å; M21-G24 VanDerWaalsContact O-N 3.07Å |
| 22 | S | 93.9 | Very high | 93.4 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 69% | 0.685 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66 | -28.6 | 177 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | E18 Q19 G24 | E18-S22 WeakPolarHBondContact O-CB 3.49Å; E18-S22 PolarHBondContact O-N 2.91Å; Q19-S22 PolarHBondContact O-N 2.82Å; Q19-S22 PolarHBondContact O-OG 3.49Å; S22-G24 VanDerWaalsContact C-N 3.27Å |
| 23 | M | 91.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.3 | 174.5 | -68.9 | -175.3 | -60.4 | 0 | 0 | 113.1 | Q19 E20 M21 C25 | Q19-M23 HydrophobicContact CG-CE 4.17Å; Q19-M23 WeakPolarHBondContact O-CG 3.44Å; Q19-M23 PolarHBondContact O-N 3.24Å; E20-M23 HydrophobicContact CB-CE 4.49Å; E20-M23 HydrophobicContact CG-CE 4.15Å; E20-M23 PolarHBondContact O-N 3.28Å; M21-M23 VanDerWaalsContact C-N 3.28Å; M21-M23 PolarHBondContact O-N 2.97Å; M23-C25 VanDerWaalsContact C-N 3.33Å |
| 24 | G | 92.5 | Very high | 92.6 | Very high | 58 Ų | 58 | 66.2 Ų | 66.2 | 60% | 0.598 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 28.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E20 M21 S22 | E20-G24 PolarHBondContact O-N 2.81Å; M21-G24 PolarHBondContact O-N 3.29Å; M21-G24 VanDerWaalsContact O-N 3.07Å; S22-G24 VanDerWaalsContact C-N 3.27Å |
| 25 | C | 93.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 12% | 0.122 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 143.7 | 179.7 | -74.9 | 0 | 0 | 0 | 0 | 112.3 | L16 E20 M23 A315 D316 | L16-C25 HydrophobicContact CD2-CB 4.34Å; E20-C25 HydrophobicContact CB-CB 4.08Å; E20-C25 WeakPolarHBondContact O-CB 3.42Å; E20-C25 PolarHBondContact O-N 3.29Å; M23-C25 VanDerWaalsContact C-N 3.33Å; C25-A315 HydrophobicContact CB-CB 3.98Å; C25-D316 WeakPolarHBondContact CA-OD1 3.26Å; C25-D316 VanDerWaalsContact CB-OD1 3.27Å; C25-D316 WeakPolarHBondContact CB-OD1 3.3Å; C25-D316 PolarHBondContact SG-OD1 2.81Å |
| 26 | T | 93.4 | Very high | 92.1 | Very high | 60 Ų | 60 | 63.7 Ų | 63.7 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 154.8 | 174.9 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | D316 | T26-D316 VanDerWaalsContact N-CG 3.34Å; T26-D316 PolarHBondContact N-OD1 3.05Å; T26-D316 PolarHBondContact N-OD2 3.31Å; T26-D316 PolarHBondContact O-N 3.18Å; T26-D316 PolarHBondContact OG1-OD2 3.45Å |
| 27 | Y | 94.4 | Very high | 92 | Very high | 109 Ų | 109 | 65.8 Ų | 65.8 | 43% | 0.427 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 122.5 | 173.7 | -76.9 | -98.2 | 0 | 0 | 0 | 110.1 | L16 K61 P314 | L16-Y27 HydrophobicContact CD1-CD2 3.8Å; L16-Y27 HydrophobicContact CD1-CE2 3.29Å; L16-Y27 HydrophobicContact CG-CD2 4.32Å; L16-Y27 HydrophobicContact CG-CE1 4.12Å; L16-Y27 HydrophobicContact CG-CE2 3.72Å; L16-Y27 PolarHBondContact N-OH 3.5Å; Y27-K61 HydrophobicContact CE1-CD 4Å; Y27-P314 CarbonylContact C-O 3.58Å; Y27-P314 WeakPolarHBondContact CA-O 3.33Å; Y27-P314 HydrophobicContact CD1-CB 3.57Å; Y27-P314 HydrophobicContact CD1-CG 4.1Å; Y27-P314 HydrophobicContact CE1-CB 3.85Å; Y27-P314 HydrophobicContact CE1-CG 3.88Å |
| 28 | V | 94.6 | Very high | 92.2 | Very high | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | trans | -107.9 | -10.1 | 173.3 | -65.1 | 0 | 0 | 0 | 0 | 113.6 | I40 A41 P43 P314 D316 Y319 | V28-I40 WeakPolarHBondContact O-CA 3.44Å; V28-A41 PolarHBondContact O-N 2.85Å; V28-P43 HydrophobicContact CG1-CB 4.05Å; V28-P43 HydrophobicContact CG1-CG 4.15Å; V28-P314 WeakPolarHBondContact CG2-O 3.46Å; V28-P314 PolarHBondContact N-O 2.99Å; V28-D316 HydrophobicContact CG1-CB 3.66Å; V28-Y319 HydrophobicContact CB-CD2 4.42Å; V28-Y319 HydrophobicContact CG2-CD2 4.27Å | ||
| 29 | L | 94.7 | Very high | 92.4 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.8 | 177.3 | -70 | 176.9 | 0 | 0 | 0 | 110.9 | T39 I40 L312 S313 P314 L326 | L29-T39 WeakPolarHBondContact CA-O 3.41Å; L29-I40 HydrophobicContact CD2-CB 3.63Å; L29-I40 HydrophobicContact CD2-CD1 3.79Å; L29-I40 HydrophobicContact CD2-CG1 3.53Å; L29-I40 HydrophobicContact CG-CG1 4.44Å; L29-L312 HydrophobicContact CD1-CB 3.6Å; L29-L312 HydrophobicContact CD1-CD1 3.95Å; L29-L312 HydrophobicContact CD1-CG 4.41Å; L29-L312 HydrophobicContact CD2-CD1 4.47Å; L29-S313 VanDerWaalsContact CD1-O 3.23Å; L29-S313 WeakPolarHBondContact CD1-O 3.33Å; L29-P314 HydrophobicContact CB-CB 4.32Å; L29-L326 HydrophobicContact CD2-CD1 4.23Å |
| 30 | D | 93.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 50.7 Ų | 50.7 | 57% | 0.572 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.3 | 167 | -175.5 | 40.3 | 0 | 0 | 0 | 108.6 | T39 | D30-T39 PolarHBondContact N-O 3.43Å; D30-T39 PolarHBondContact O-N 3.41Å |
| 31 | T | 93.7 | Very high | 92.6 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.5 | -174.1 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | P33 C38 V58 D60 | T31-P33 WeakPolarHBondContact O-CD 3.39Å; T31-C38 HydrophobicContact CG2-CB 4.4Å; T31-V58 HydrophobicContact CG2-CG1 3.66Å; T31-D60 WeakPolarHBondContact OG1-CA 3.32Å; T31-D60 VanDerWaalsContact OG1-CB 3.24Å; T31-D60 WeakPolarHBondContact OG1-CB 3.21Å |
| 32 | D | 92.2 | Very high | 92.5 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 98.6 | 174.7 | -177.1 | -2.7 | 0 | 0 | 0 | 109.7 | S34 C35 C36 Q37 | D32-S34 VanDerWaalsContact CG-OG 3.32Å; D32-S34 PolarHBondContact O-N 3.39Å; D32-S34 WeakPolarHBondContact OD1-CA 3.32Å; D32-S34 VanDerWaalsContact OD1-CB 3.28Å; D32-S34 WeakPolarHBondContact OD1-CB 3.36Å; D32-S34 PolarHBondContact OD1-N 3.32Å; D32-S34 PolarHBondContact OD1-OG 3Å; D32-S34 PolarHBondContact OD2-OG 3.4Å; D32-C35 VanDerWaalsContact CB-SG 3.53Å; D32-C35 PolarHBondContact O-N 3.44Å; D32-C35 PolarHBondContact OD2-SG 2.83Å; D32-C36 PolarHBondContact O-N 3.19Å; D32-Q37 PolarHBondContact N-O 2.89Å; D32-Q37 PolarHBondContact O-N 2.89Å; D32-Q37 VanDerWaalsContact O-N 3.08Å |
| 33 | P | 89.6 | Confident | 92.3 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.9 | 175.6 | -24.4 | 34.8 | 0 | 0 | 0 | 113.6 | T31 C36 V58 D60 | T31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-C36 PolarHBondContact O-N 3.46Å; P33-V58 WeakPolarHBondContact CB-O 3.46Å; P33-D60 HydrophobicContact CG-CB 4.41Å |
| 34 | S | 87.1 | Confident | 92.1 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -33.1 | -175.3 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | D32 M500 | D32-S34 VanDerWaalsContact CG-OG 3.32Å; D32-S34 PolarHBondContact O-N 3.39Å; D32-S34 WeakPolarHBondContact OD1-CA 3.32Å; D32-S34 VanDerWaalsContact OD1-CB 3.28Å; D32-S34 WeakPolarHBondContact OD1-CB 3.36Å; D32-S34 PolarHBondContact OD1-N 3.32Å; D32-S34 PolarHBondContact OD1-OG 3Å; D32-S34 PolarHBondContact OD2-OG 3.4Å; S34-M500 WeakPolarHBondContact O-CE 3.48Å |
| 35 | C | 86.1 | Confident | 91.7 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 25% | 0.25 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 4.4 | 174.4 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | D32 Q37 | D32-C35 VanDerWaalsContact CB-SG 3.53Å; D32-C35 PolarHBondContact O-N 3.44Å; D32-C35 PolarHBondContact OD2-SG 2.83Å; C35-Q37 HydrophobicContact CB-CG 4.25Å; C35-Q37 PolarHBondContact O-N 3.37Å; C35-Q37 WeakPolarHBondContact SG-CB 3.43Å; C35-Q37 WeakPolarHBondContact SG-CG 3.46Å |
| 36 | C | 91.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 36.2 | -175.4 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | D32 P33 T54 F55 V58 M500 | D32-C36 PolarHBondContact O-N 3.19Å; P33-C36 PolarHBondContact O-N 3.46Å; C36-T54 WeakPolarHBondContact O-CA 3.47Å; C36-F55 WeakPolarHBondContact CB-O 3.41Å; C36-F55 PolarHBondContact O-N 2.96Å; C36-V58 WeakPolarHBondContact O-CG2 3.49Å; C36-M500 VanDerWaalsContact SG-SD 3.65Å |
| 37 | Q | 93 | Very high | 90.6 | Very high | 66 Ų | 66 | 59 Ų | 59 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 146.3 | -179.8 | -64.8 | -178 | -8.3 | 0 | 0 | 112.4 | D32 C35 V52 F53 T54 | D32-Q37 PolarHBondContact N-O 2.89Å; D32-Q37 PolarHBondContact O-N 2.89Å; D32-Q37 VanDerWaalsContact O-N 3.08Å; C35-Q37 HydrophobicContact CB-CG 4.25Å; C35-Q37 PolarHBondContact O-N 3.37Å; C35-Q37 WeakPolarHBondContact SG-CB 3.43Å; C35-Q37 WeakPolarHBondContact SG-CG 3.46Å; Q37-V52 HydrophobicContact CB-CG1 4.02Å; Q37-V52 HydrophobicContact CG-CG1 4.07Å; Q37-F53 CarbonylContact C-O 3.52Å; Q37-F53 VanDerWaalsContact CA-O 3.27Å; Q37-F53 WeakPolarHBondContact CA-O 3.28Å; Q37-T54 HydrophobicContact CG-CG2 4.3Å |
| 38 | C | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 119.6 | 170 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | V11 T31 F53 F55 V58 L326 | V11-C38 HydrophobicContact CG1-CB 4.46Å; T31-C38 HydrophobicContact CG2-CB 4.4Å; C38-F53 PolarHBondContact N-O 2.91Å; C38-F53 PolarHBondContact O-N 2.84Å; C38-F55 HydrophobicContact CB-CE2 4.33Å; C38-V58 HydrophobicContact CB-CG1 4.5Å; C38-L326 HydrophobicContact CB-CD2 4.26Å |
| 39 | T | 94.1 | Very high | 89.5 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.2 | 179.9 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | L29 D30 P50 K51 V52 | L29-T39 WeakPolarHBondContact CA-O 3.41Å; D30-T39 PolarHBondContact N-O 3.43Å; D30-T39 PolarHBondContact O-N 3.41Å; T39-P50 HydrophobicContact CG2-CB 3.41Å; T39-P50 VanDerWaalsContact CG2-CB 3.41Å; T39-P50 HydrophobicContact CG2-CG 4.42Å; T39-K51 CarbonylContact C-O 3.56Å; T39-K51 VanDerWaalsContact CA-O 3.24Å; T39-K51 WeakPolarHBondContact CA-O 3.36Å; T39-V52 HydrophobicContact CG2-CG2 4.22Å |
| 40 | I | 94.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.3 | 177.3 | -166.3 | 178.6 | 0 | 0 | 0 | 110.5 | V28 L29 K51 F53 Y319 L323 L326 | V28-I40 WeakPolarHBondContact O-CA 3.44Å; L29-I40 HydrophobicContact CD2-CB 3.63Å; L29-I40 HydrophobicContact CD2-CD1 3.79Å; L29-I40 HydrophobicContact CD2-CG1 3.53Å; L29-I40 HydrophobicContact CG-CG1 4.44Å; I40-K51 HydrophobicContact CG2-CB 3.85Å; I40-K51 PolarHBondContact N-O 3.39Å; I40-K51 PolarHBondContact O-N 2.88Å; I40-F53 HydrophobicContact CG2-CD2 4.37Å; I40-F53 HydrophobicContact CG2-CE2 3.85Å; I40-Y319 HydrophobicContact CD1-CD2 3.65Å; I40-Y319 HydrophobicContact CD1-CE2 3.75Å; I40-Y319 HydrophobicContact CG1-CD2 3.75Å; I40-Y319 HydrophobicContact CG1-CE2 3.67Å; I40-L323 HydrophobicContact CD1-CB 4.02Å; I40-L323 HydrophobicContact CG2-CD1 4.04Å; I40-L326 HydrophobicContact CB-CD1 4.13Å; I40-L326 HydrophobicContact CD1-CD1 4.12Å; I40-L326 HydrophobicContact CG2-CD1 3.98Å |
| 41 | A | 92.7 | Very high | 89.1 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 34% | 0.339 | 34% | 0.339 | S | S | . | . | trans | -97.1 | 135.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V28 P43 P50 Y319 | V28-A41 PolarHBondContact O-N 2.85Å; A41-P43 VanDerWaalsContact O-CD 3.3Å; A41-P43 WeakPolarHBondContact O-CD 3.28Å; A41-P50 HydrophobicContact CB-CB 4.42Å; A41-P50 HydrophobicContact CB-CG 4.42Å; A41-Y319 WeakPolarHBondContact O-CD2 3.39Å; A41-Y319 VanDerWaalsContact O-CE2 3.22Å; A41-Y319 WeakPolarHBondContact O-CE2 3.46Å | ||
| 42 | N | 90.5 | Very high | 89 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | trans | -75.3 | 117.1 | 178.5 | -171.6 | -16.7 | 0 | 0 | 0 | 110.2 | A44 D45 Y319 | N42-A44 VanDerWaalsContact C-N 3.27Å; N42-A44 PolarHBondContact O-N 2.99Å; N42-A44 WeakPolarHBondContact OD1-CB 3.35Å; N42-A44 PolarHBondContact OD1-N 3.2Å; N42-D45 CarbonylContact O-C 3.36Å; N42-D45 PolarHBondContact O-N 3.17Å; N42-Y319 HydrophobicContact CB-CE1 4.41Å; N42-Y319 HydrophobicContact CB-CE2 4.17Å; N42-Y319 WeakPolarHBondContact CB-OH 3.43Å | ||
| 43 | P | 89.5 | Confident | 89.1 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -68 | -26.7 | 179.2 | 27.6 | -34.2 | 0 | 0 | 0 | 113 | V28 A41 D316 Y319 | V28-P43 HydrophobicContact CG1-CB 4.05Å; V28-P43 HydrophobicContact CG1-CG 4.15Å; A41-P43 VanDerWaalsContact O-CD 3.3Å; A41-P43 WeakPolarHBondContact O-CD 3.28Å; P43-D316 HydrophobicContact CB-CB 3.95Å; P43-D316 HydrophobicContact CG-CB 4.19Å; P43-Y319 VanDerWaalsContact CD-CD2 3.42Å; P43-Y319 VanDerWaalsContact CD-CG 3.41Å; P43-Y319 HydrophobicContact CG-CD1 4.42Å; P43-Y319 HydrophobicContact CG-CD2 4.39Å; P43-Y319 HydrophobicContact CG-CG 3.99Å |
| 44 | A | 87.2 | Confident | 89.2 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 79% | 0.793 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -81.2 | -26.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N42 | N42-A44 VanDerWaalsContact C-N 3.27Å; N42-A44 PolarHBondContact O-N 2.99Å; N42-A44 WeakPolarHBondContact OD1-CB 3.35Å; N42-A44 PolarHBondContact OD1-N 3.2Å |
| 45 | D | 85.8 | Confident | 89.6 | Confident | 66 Ų | 66 | 54 Ų | 54 | 35% | 0.353 | 31% | 0.306 | S | S | . | . | trans | -131.7 | 89.3 | 176.6 | -177.8 | 6.5 | 0 | 0 | 0 | 110.1 | N42 T47 A48 | N42-D45 CarbonylContact O-C 3.36Å; N42-D45 PolarHBondContact O-N 3.17Å; D45-T47 PolarHBondContact O-N 3.38Å; D45-T47 PolarHBondContact OD1-N 2.85Å; D45-T47 PolarHBondContact OD1-OG1 2.88Å; D45-A48 HydrophobicContact CB-CB 4.11Å; D45-A48 WeakPolarHBondContact O-CB 3.49Å; D45-A48 PolarHBondContact O-N 3.33Å; D45-A48 PolarHBondContact OD1-N 3.4Å; D45-A48 VanDerWaalsContact OD2-CB 3.26Å; D45-A48 WeakPolarHBondContact OD2-CB 3.41Å | ||
| 46 | R | 80.1 | Confident | 89.9 | Confident | 205 Ų | 205 | 54.1 Ų | 54.1 | 77% | 0.774 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12.4 | 178.3 | -63.9 | -174.5 | 178.2 | -155.6 | -2.3 | 113.5 | A48 | R46-A48 VanDerWaalsContact C-N 3.32Š|
| 47 | T | 82.7 | Confident | 90 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 82% | 0.816 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -20.3 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | D45 | D45-T47 PolarHBondContact O-N 3.38Å; D45-T47 PolarHBondContact OD1-N 2.85Å; D45-T47 PolarHBondContact OD1-OG1 2.88Å |
| 48 | A | 81.5 | Confident | 90.1 | Very high | 17 Ų | 17 | 51 Ų | 51 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -69.8 | 135.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D45 R46 | D45-A48 HydrophobicContact CB-CB 4.11Å; D45-A48 WeakPolarHBondContact O-CB 3.49Å; D45-A48 PolarHBondContact O-N 3.33Å; D45-A48 PolarHBondContact OD1-N 3.4Å; D45-A48 VanDerWaalsContact OD2-CB 3.26Å; D45-A48 WeakPolarHBondContact OD2-CB 3.41Å; R46-A48 VanDerWaalsContact C-N 3.32Å |
| 49 | E | 84.3 | Confident | 90.2 | Very high | 131 Ų | 131 | 51.4 Ų | 51.4 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -57 | 134.1 | 170.4 | -69.1 | 179.2 | 177.4 | 0 | 0 | 110.9 | K541 | E49-K541 PolarHBondContact O-NZ 3.42Š|
| 50 | P | 89.1 | Confident | 90.2 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 147 | 175.1 | -23.9 | 34.2 | 0 | 0 | 0 | 111.9 | T39 A41 | T39-P50 HydrophobicContact CG2-CB 3.41Å; T39-P50 VanDerWaalsContact CG2-CB 3.41Å; T39-P50 HydrophobicContact CG2-CG 4.42Å; A41-P50 HydrophobicContact CB-CB 4.42Å; A41-P50 HydrophobicContact CB-CG 4.42Å |
| 51 | K | 90.7 | Very high | 90 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133.7 | 176.5 | -67.9 | 177.2 | 179.2 | 168.1 | 0 | 109.7 | T39 I40 F53 L323 D542 D545 | T39-K51 CarbonylContact C-O 3.56Å; T39-K51 VanDerWaalsContact CA-O 3.24Å; T39-K51 WeakPolarHBondContact CA-O 3.36Å; I40-K51 HydrophobicContact CG2-CB 3.85Å; I40-K51 PolarHBondContact N-O 3.39Å; I40-K51 PolarHBondContact O-N 2.88Å; K51-F53 HydrophobicContact CB-CE2 3.89Å; K51-F53 HydrophobicContact CB-CZ 4.5Å; K51-L323 HydrophobicContact CD-CD1 3.78Å; K51-D542 WeakPolarHBondContact CE-OD1 3.21Å; K51-D542 IonicContact NZ-OD1 3.83Å; K51-D545 WeakPolarHBondContact CE-OD2 3.24Å; K51-D545 IonicContact NZ-OD2 3.06Å; K51-D545 PolarHBondContact NZ-OD2 2.92Å |
| 52 | V | 91.7 | Very high | 90 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.1 | 179.9 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | Q37 T39 | Q37-V52 HydrophobicContact CB-CG1 4.02Å; Q37-V52 HydrophobicContact CG-CG1 4.07Å; T39-V52 HydrophobicContact CG2-CG2 4.22Å |
| 53 | F | 94 | Very high | 90.2 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145 | 175 | -63.8 | -90.6 | 0 | 0 | 0 | 109.9 | Q37 C38 I40 K51 F55 L323 L326 R327 N330 | Q37-F53 CarbonylContact C-O 3.52Å; Q37-F53 VanDerWaalsContact CA-O 3.27Å; Q37-F53 WeakPolarHBondContact CA-O 3.28Å; C38-F53 PolarHBondContact N-O 2.91Å; C38-F53 PolarHBondContact O-N 2.84Å; I40-F53 HydrophobicContact CG2-CD2 4.37Å; I40-F53 HydrophobicContact CG2-CE2 3.85Å; K51-F53 HydrophobicContact CB-CE2 3.89Å; K51-F53 HydrophobicContact CB-CZ 4.5Å; F53-F55 HydrophobicContact CB-CD2 4.29Å; F53-F55 HydrophobicContact CB-CE2 3.35Å; F53-F55 HydrophobicContact CB-CZ 3.67Å; F53-F55 HydrophobicContact CD1-CZ 4.49Å; F53-F55 HydrophobicContact CG-CE2 4.35Å; F53-F55 HydrophobicContact CG-CZ 4.31Å; F53-L323 HydrophobicContact CE2-CD1 4.01Å; F53-L323 HydrophobicContact CZ-CD1 3.91Å; F53-L326 HydrophobicContact CB-CD2 4.37Å; F53-L326 HydrophobicContact CD1-CB 4.35Å; F53-L326 HydrophobicContact CD2-CB 4.01Å; F53-L326 HydrophobicContact CD2-CD1 3.87Å; F53-L326 HydrophobicContact CD2-CD2 4.3Å; F53-L326 HydrophobicContact CD2-CG 4.3Å; F53-L326 HydrophobicContact CE1-CB 4.3Å; F53-L326 HydrophobicContact CE2-CB 3.95Å; F53-L326 HydrophobicContact CE2-CD1 3.97Å; F53-L326 HydrophobicContact CG-CB 4.21Å; F53-L326 HydrophobicContact CG-CD2 4.37Å; F53-L326 HydrophobicContact CZ-CB 4.1Å; F53-R327 HydrophobicContact CE1-CG 4.18Å; F53-R327 HydrophobicContact CZ-CG 4.13Å; F53-N330 HydrophobicContact CD1-CB 4.28Å |
| 54 | T | 92.3 | Very high | 90.5 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.2 | -179.3 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | C36 Q37 K333 | C36-T54 WeakPolarHBondContact O-CA 3.47Å; Q37-T54 HydrophobicContact CG-CG2 4.3Å; T54-K333 PolarHBondContact O-NZ 3.33Å |
| 55 | F | 94.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | trans | -118 | -177.7 | -174.1 | -63.1 | -74.5 | 0 | 0 | 0 | 111.8 | V9 V11 C36 C38 F53 V58 L326 A329 N330 | V9-F55 HydrophobicContact CB-CD1 4.19Å; V9-F55 HydrophobicContact CG1-CD1 3.52Å; V9-F55 HydrophobicContact CG1-CE1 3.93Å; V9-F55 HydrophobicContact CG1-CG 4.48Å; V11-F55 HydrophobicContact CB-CD2 4.12Å; V11-F55 HydrophobicContact CB-CE2 4.48Å; V11-F55 HydrophobicContact CG2-CB 4.39Å; V11-F55 HydrophobicContact CG2-CD1 4.09Å; V11-F55 HydrophobicContact CG2-CD2 3.28Å; V11-F55 HydrophobicContact CG2-CE1 4.17Å; V11-F55 HydrophobicContact CG2-CE2 3.37Å; V11-F55 HydrophobicContact CG2-CG 3.65Å; V11-F55 HydrophobicContact CG2-CZ 3.83Å; C36-F55 WeakPolarHBondContact CB-O 3.41Å; C36-F55 PolarHBondContact O-N 2.96Å; C38-F55 HydrophobicContact CB-CE2 4.33Å; F53-F55 HydrophobicContact CB-CD2 4.29Å; F53-F55 HydrophobicContact CB-CE2 3.35Å; F53-F55 HydrophobicContact CB-CZ 3.67Å; F53-F55 HydrophobicContact CD1-CZ 4.49Å; F53-F55 HydrophobicContact CG-CE2 4.35Å; F53-F55 HydrophobicContact CG-CZ 4.31Å; F55-V58 HydrophobicContact CB-CG2 4.28Å; F55-V58 HydrophobicContact CD2-CG2 4.3Å; F55-L326 HydrophobicContact CE2-CD2 3.48Å; F55-L326 VanDerWaalsContact CE2-CD2 3.48Å; F55-L326 HydrophobicContact CZ-CD2 3.64Å; F55-A329 HydrophobicContact CE1-CB 3.66Å; F55-A329 HydrophobicContact CZ-CB 4.16Å; F55-N330 HydrophobicContact CE1-CB 4.42Å | ||
| 56 | D | 93.3 | Very high | 91.3 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -78.7 | -26.3 | 177.5 | -56.9 | -52.3 | 0 | 0 | 0 | 111.6 | R8 V9 K333 M497 | R8-D56 VanDerWaalsContact CA-OD2 3.28Å; R8-D56 WeakPolarHBondContact CA-OD2 3.3Å; V9-D56 PolarHBondContact N-OD2 3.43Å; V9-D56 WeakPolarHBondContact O-CB 3.32Å; V9-D56 PolarHBondContact O-N 3.22Å; D56-K333 WeakPolarHBondContact OD1-CE 3.4Å; D56-K333 IonicContact OD1-NZ 3.32Å; D56-M497 WeakPolarHBondContact O-CE 3.46Å |
| 57 | A | 93.8 | Very high | 92 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 150.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | V10 V11 F59 V72 M497 | V10-A57 WeakPolarHBondContact CA-O 3.44Å; V10-A57 HydrophobicContact CG1-CB 4.35Å; V10-A57 HydrophobicContact CG2-CB 4.25Å; V11-A57 PolarHBondContact N-O 3.35Å; A57-F59 HydrophobicContact CB-CE2 3.86Å; A57-F59 HydrophobicContact CB-CZ 4.18Å; A57-V72 HydrophobicContact CB-CG2 4.15Å; A57-M497 HydrophobicContact CB-CE 4Å |
| 58 | V | 95.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.9 | 175.8 | -180 | 0 | 0 | 0 | 0 | 109 | V11 T31 P33 C36 C38 F55 | V11-V58 HydrophobicContact CB-CG2 4.39Å; V11-V58 CarbonylContact O-C 3.59Å; V11-V58 WeakPolarHBondContact O-CA 3.31Å; T31-V58 HydrophobicContact CG2-CG1 3.66Å; P33-V58 WeakPolarHBondContact CB-O 3.46Å; C36-V58 WeakPolarHBondContact O-CG2 3.49Å; C38-V58 HydrophobicContact CB-CG1 4.5Å; F55-V58 HydrophobicContact CB-CG2 4.28Å; F55-V58 HydrophobicContact CD2-CG2 4.3Å |
| 59 | F | 96.2 | Very high | 93.4 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.2 | 178.3 | -64.5 | -76.2 | 0 | 0 | 0 | 109.3 | V10 V11 R12 S13 A57 A63 L67 L68 D71 V72 | V10-F59 HydrophobicContact CG1-CD2 3.41Å; V10-F59 VanDerWaalsContact CG1-CD2 3.41Å; V10-F59 HydrophobicContact CG1-CE2 3.33Å; V11-F59 PolarHBondContact O-N 2.94Å; R12-F59 WeakPolarHBondContact CA-O 3.5Å; R12-F59 HydrophobicContact CB-CB 4.35Å; R12-F59 HydrophobicContact CG-CB 4.15Å; S13-F59 PolarHBondContact N-O 2.78Å; A57-F59 HydrophobicContact CB-CE2 3.86Å; A57-F59 HydrophobicContact CB-CZ 4.18Å; F59-A63 HydrophobicContact CB-CB 3.69Å; F59-A63 HydrophobicContact CD1-CB 3.93Å; F59-A63 HydrophobicContact CG-CB 4.28Å; F59-L67 HydrophobicContact CD1-CD2 4.34Å; F59-L67 HydrophobicContact CD1-CG 4.5Å; F59-L67 HydrophobicContact CE1-CD2 4.29Å; F59-L67 HydrophobicContact CE1-CG 4.04Å; F59-L68 HydrophobicContact CD1-CB 4.27Å; F59-L68 HydrophobicContact CD2-CB 4.22Å; F59-L68 HydrophobicContact CD2-CD1 3.81Å; F59-L68 HydrophobicContact CD2-CG 3.92Å; F59-L68 HydrophobicContact CE1-CB 4.13Å; F59-L68 HydrophobicContact CE2-CB 4.07Å; F59-L68 HydrophobicContact CE2-CD1 4.16Å; F59-L68 HydrophobicContact CE2-CG 3.75Å; F59-L68 HydrophobicContact CG-CB 4.32Å; F59-L68 HydrophobicContact CG-CD1 4.29Å; F59-L68 HydrophobicContact CG-CG 4.47Å; F59-L68 HydrophobicContact CZ-CB 4.03Å; F59-L68 HydrophobicContact CZ-CG 4.18Å; F59-D71 HydrophobicContact CE1-CB 4.49Å; F59-D71 HydrophobicContact CZ-CB 4.02Å; F59-V72 HydrophobicContact CE2-CG2 4.05Å; F59-V72 HydrophobicContact CZ-CG2 4.07Å |
| 60 | D | 93.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | trans | -79 | -174.4 | 178.4 | 62.3 | 14.9 | 0 | 0 | 0 | 112.1 | S13 T31 P33 E62 A63 | S13-D60 CarbonylContact O-C 3.5Å; S13-D60 VanDerWaalsContact O-O 3.1Å; T31-D60 WeakPolarHBondContact OG1-CA 3.32Å; T31-D60 VanDerWaalsContact OG1-CB 3.24Å; T31-D60 WeakPolarHBondContact OG1-CB 3.21Å; P33-D60 HydrophobicContact CG-CB 4.41Å; D60-E62 VanDerWaalsContact C-N 3.27Å; D60-E62 PolarHBondContact O-N 3.04Å; D60-E62 PolarHBondContact OD1-N 2.8Å; D60-A63 WeakPolarHBondContact O-CB 3.15Å; D60-A63 PolarHBondContact O-N 3.28Å; D60-A63 WeakPolarHBondContact OD1-CB 3.25Å; D60-A63 PolarHBondContact OD1-N 3.13Å | ||
| 61 | K | 91.3 | Very high | 94 | Very high | 93 Ų | 93 | 36 Ų | 36 | 40% | 0.404 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -71.1 | -21.9 | -178 | 64.6 | -172.3 | -179.7 | -165.2 | 0 | 112.8 | P15 Y27 | P15-K61 HydrophobicContact CB-CB 4.18Å; Y27-K61 HydrophobicContact CE1-CD 4Å |
| 62 | E | 92.1 | Very high | 94.1 | Very high | 123 Ų | 123 | 35.7 Ų | 35.7 | 58% | 0.575 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -83.1 | -20.3 | 175.7 | -66.1 | 75.9 | -163.9 | 0 | 0 | 112.5 | D60 T64 | D60-E62 VanDerWaalsContact C-N 3.27Å; D60-E62 PolarHBondContact O-N 3.04Å; D60-E62 PolarHBondContact OD1-N 2.8Å; E62-T64 PolarHBondContact O-N 2.95Å |
| 63 | A | 94.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 32 Ų | 32 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | trans | -61.9 | 132.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R12 F59 D60 | R12-A63 PolarHBondContact NH2-O 3.07Å; F59-A63 HydrophobicContact CB-CB 3.69Å; F59-A63 HydrophobicContact CD1-CB 3.93Å; F59-A63 HydrophobicContact CG-CB 4.28Å; D60-A63 WeakPolarHBondContact O-CB 3.15Å; D60-A63 PolarHBondContact O-N 3.28Å; D60-A63 WeakPolarHBondContact OD1-CB 3.25Å; D60-A63 PolarHBondContact OD1-N 3.13Å | ||
| 64 | T | 95.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 23% | 0.233 | 16% | 0.16 | C | C | . | . | trans | -85.1 | 150.7 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | E62 E66 L67 L68 V110 | E62-T64 PolarHBondContact O-N 2.95Å; T64-E66 PolarHBondContact O-N 3.32Å; T64-L67 PolarHBondContact O-N 3.47Å; T64-L67 WeakPolarHBondContact OG1-CB 3.35Å; T64-L67 PolarHBondContact OG1-N 3.4Å; T64-L68 PolarHBondContact O-N 3.26Å; T64-V110 HydrophobicContact CG2-CG1 3.37Å | ||
| 65 | T | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -28.8 | 172.5 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | R12 Y69 Q111 K112 I114 | R12-T65 PolarHBondContact NH1-OG1 2.84Å; R12-T65 PolarHBondContact NH2-OG1 2.73Å; T65-Y69 WeakPolarHBondContact O-CB 3.34Å; T65-Y69 PolarHBondContact O-N 3.49Å; T65-Q111 PolarHBondContact OG1-OE1 2.97Å; T65-K112 WeakPolarHBondContact CG2-O 3.36Å; T65-I114 HydrophobicContact CG2-CG1 4.28Å |
| 66 | E | 95.5 | Very high | 94.6 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 35% | 0.346 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.1 | -49.3 | 171.3 | -170.6 | 161.4 | 163.2 | 0 | 0 | 113.5 | T64 Y69 N70 V110 R117 | T64-E66 PolarHBondContact O-N 3.32Å; E66-Y69 PolarHBondContact O-N 2.83Å; E66-N70 WeakPolarHBondContact CG-ND2 3.38Å; E66-N70 WeakPolarHBondContact O-CB 3.29Å; E66-N70 VanDerWaalsContact O-CG 3.26Å; E66-N70 PolarHBondContact O-N 2.78Å; E66-N70 PolarHBondContact O-ND2 2.77Å; E66-V110 PolarHBondContact N-O 3.24Å; E66-R117 VanDerWaalsContact CB-NH2 3.31Å; E66-R117 IonicContact OE2-NH1 2.87Å; E66-R117 IonicContact OE2-NH2 3.39Å; E66-R117 PolarHBondContact OE2-NH2 3.47Å |
| 67 | L | 94.9 | Very high | 94.8 | Very high | 75 Ų | 75 | 29 Ų | 29 | 39% | 0.393 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.5 | -49.5 | 179.8 | -179.7 | 65.3 | 0 | 0 | 0 | 110.2 | F59 T64 Y69 N70 D71 | F59-L67 HydrophobicContact CD1-CD2 4.34Å; F59-L67 HydrophobicContact CD1-CG 4.5Å; F59-L67 HydrophobicContact CE1-CD2 4.29Å; F59-L67 HydrophobicContact CE1-CG 4.04Å; T64-L67 PolarHBondContact O-N 3.47Å; T64-L67 WeakPolarHBondContact OG1-CB 3.35Å; T64-L67 PolarHBondContact OG1-N 3.4Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; L67-Y69 PolarHBondContact O-N 2.73Å; L67-N70 PolarHBondContact O-N 2.81Å; L67-D71 WeakPolarHBondContact O-CB 2.93Å; L67-D71 VanDerWaalsContact O-CG 3.29Å; L67-D71 PolarHBondContact O-N 2.82Å |
| 68 | L | 95.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 176.4 | -178 | 159.5 | 0 | 0 | 0 | 112.1 | R12 F59 T64 V72 V73 T101 I114 I309 | R12-L68 HydrophobicContact CB-CD1 4.35Å; R12-L68 HydrophobicContact CG-CD1 4.38Å; F59-L68 HydrophobicContact CD1-CB 4.27Å; F59-L68 HydrophobicContact CD2-CB 4.22Å; F59-L68 HydrophobicContact CD2-CD1 3.81Å; F59-L68 HydrophobicContact CD2-CG 3.92Å; F59-L68 HydrophobicContact CE1-CB 4.13Å; F59-L68 HydrophobicContact CE2-CB 4.07Å; F59-L68 HydrophobicContact CE2-CD1 4.16Å; F59-L68 HydrophobicContact CE2-CG 3.75Å; F59-L68 HydrophobicContact CG-CB 4.32Å; F59-L68 HydrophobicContact CG-CD1 4.29Å; F59-L68 HydrophobicContact CG-CG 4.47Å; F59-L68 HydrophobicContact CZ-CB 4.03Å; F59-L68 HydrophobicContact CZ-CG 4.18Å; T64-L68 PolarHBondContact O-N 3.26Å; L68-V72 PolarHBondContact O-N 2.93Å; L68-V73 HydrophobicContact CD2-CG2 4.16Å; L68-T101 HydrophobicContact CD1-CG2 4.18Å; L68-I114 HydrophobicContact CD2-CD1 3.68Å; L68-I114 HydrophobicContact CD2-CG1 4.19Å; L68-I309 HydrophobicContact CD1-CG2 4.45Å; L68-I309 HydrophobicContact CD2-CD1 4.06Å |
| 69 | Y | 97 | Very high | 94.9 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -61.1 | -49.8 | 178 | -176.1 | -91.6 | 0 | 0 | 0 | 111.4 | T65 E66 L67 D71 V73 Y74 I114 R117 T118 H121 | T65-Y69 WeakPolarHBondContact O-CB 3.34Å; T65-Y69 PolarHBondContact O-N 3.49Å; E66-Y69 PolarHBondContact O-N 2.83Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; L67-Y69 PolarHBondContact O-N 2.73Å; Y69-D71 PolarHBondContact O-N 2.78Å; Y69-V73 HydrophobicContact CD2-CB 3.76Å; Y69-V73 HydrophobicContact CD2-CG1 3.83Å; Y69-V73 HydrophobicContact CD2-CG2 4.47Å; Y69-V73 HydrophobicContact CE2-CB 4.03Å; Y69-V73 HydrophobicContact CE2-CG1 3.63Å; Y69-V73 HydrophobicContact CG-CB 4.34Å; Y69-V73 CarbonylContact O-C 3.3Å; Y69-V73 PolarHBondContact O-N 3.23Å; Y69-Y74 HydrophobicContact CE1-CD2 4.09Å; Y69-Y74 PolarHBondContact O-N 2.79Å; Y69-I114 HydrophobicContact CD2-CG1 4.44Å; Y69-I114 HydrophobicContact CD2-CG2 4.27Å; Y69-I114 HydrophobicContact CE2-CG2 4.44Å; Y69-R117 HydrophobicContact CD1-CB 4.45Å; Y69-R117 HydrophobicContact CD2-CB 3.86Å; Y69-R117 HydrophobicContact CE1-CB 4.36Å; Y69-R117 HydrophobicContact CE2-CB 3.78Å; Y69-R117 HydrophobicContact CG-CB 4.21Å; Y69-R117 PolarHBondContact OH-O 3.35Å; Y69-T118 WeakPolarHBondContact OH-CA 3.45Å; Y69-H121 HydrophobicContact CE1-CB 4.46Å; Y69-H121 AromaticContact CZ-ND1 3.87Å; Y69-H121 WeakPolarHBondContact OH-CB 3.37Å; Y69-H121 PolarHBondContact OH-ND1 3.32Å |
| 70 | N | 94.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 28.8 Ų | 28.8 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -66 | -36 | -176.9 | -71.9 | -28.1 | 0 | 0 | 0 | 113 | E66 L67 | E66-N70 WeakPolarHBondContact CG-ND2 3.38Å; E66-N70 WeakPolarHBondContact O-CB 3.29Å; E66-N70 VanDerWaalsContact O-CG 3.26Å; E66-N70 PolarHBondContact O-N 2.78Å; E66-N70 PolarHBondContact O-ND2 2.77Å; L67-N70 PolarHBondContact O-N 2.81Å |
| 71 | D | 91.8 | Very high | 94.9 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 25% | 0.251 | 14% | 0.141 | S | C | . | . | I | π-helix | trans | -77.4 | -38 | -176.3 | -71.8 | -4.1 | 0 | 0 | 0 | 112.3 | F59 L67 Y69 R493 | F59-D71 HydrophobicContact CE1-CB 4.49Å; F59-D71 HydrophobicContact CZ-CB 4.02Å; L67-D71 WeakPolarHBondContact O-CB 2.93Å; L67-D71 VanDerWaalsContact O-CG 3.29Å; L67-D71 PolarHBondContact O-N 2.82Å; Y69-D71 PolarHBondContact O-N 2.78Å; D71-R493 WeakPolarHBondContact OD1-CD 3.3Å; D71-R493 IonicContact OD1-NE 3.47Å; D71-R493 PolarHBondContact OD1-NE 3Å |
| 72 | V | 92.8 | Very high | 95 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -120.9 | -51.6 | -169.2 | -164.6 | 0 | 0 | 0 | 0 | 112.8 | V10 A57 F59 L68 I307 | V10-V72 HydrophobicContact CG2-CB 4.21Å; V10-V72 HydrophobicContact CG2-CG1 3.63Å; V10-V72 HydrophobicContact CG2-CG2 3.82Å; A57-V72 HydrophobicContact CB-CG2 4.15Å; F59-V72 HydrophobicContact CE2-CG2 4.05Å; F59-V72 HydrophobicContact CZ-CG2 4.07Å; L68-V72 PolarHBondContact O-N 2.93Å; V72-I307 HydrophobicContact CG1-CD1 3.7Å; V72-I307 HydrophobicContact CG1-CG1 4.24Å; V72-I307 HydrophobicContact CG1-CG2 4.04Å |
| 73 | V | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -77.9 | -33.5 | -170.1 | -176 | 0 | 0 | 0 | 0 | 112.2 | L68 Y69 S75 L76 V77 V88 I114 | L68-V73 HydrophobicContact CD2-CG2 4.16Å; Y69-V73 HydrophobicContact CD2-CB 3.76Å; Y69-V73 HydrophobicContact CD2-CG1 3.83Å; Y69-V73 HydrophobicContact CD2-CG2 4.47Å; Y69-V73 HydrophobicContact CE2-CB 4.03Å; Y69-V73 HydrophobicContact CE2-CG1 3.63Å; Y69-V73 HydrophobicContact CG-CB 4.34Å; Y69-V73 CarbonylContact O-C 3.3Å; Y69-V73 PolarHBondContact O-N 3.23Å; V73-S75 VanDerWaalsContact C-N 3.31Å; V73-S75 PolarHBondContact O-N 2.88Å; V73-L76 WeakPolarHBondContact O-CA 3.04Å; V73-L76 WeakPolarHBondContact O-CB 3.27Å; V73-L76 PolarHBondContact O-N 3.08Å; V73-V77 HydrophobicContact CG1-CG2 4.09Å; V73-V77 PolarHBondContact O-N 3.28Å; V73-V88 HydrophobicContact CG1-CG2 4.17Å; V73-I114 HydrophobicContact CG1-CG2 3.93Å; V73-I114 HydrophobicContact CG2-CD1 4.13Å; V73-I114 HydrophobicContact CG2-CG1 4.4Å; V73-I114 HydrophobicContact CG2-CG2 4.31Å |
| 74 | Y | 96.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -53.8 | -48.5 | 179.9 | -172.1 | -76 | 0 | 0 | 0 | 111.3 | Y69 L76 V77 E78 H121 K486 A490 | Y69-Y74 HydrophobicContact CE1-CD2 4.09Å; Y69-Y74 PolarHBondContact O-N 2.79Å; Y74-L76 VanDerWaalsContact C-N 3.26Å; Y74-L76 PolarHBondContact O-N 2.8Å; Y74-V77 PolarHBondContact O-N 2.76Å; Y74-E78 HydrophobicContact CD1-CG 3.98Å; Y74-E78 HydrophobicContact CE1-CG 3.59Å; Y74-E78 PolarHBondContact O-N 3.44Å; Y74-H121 AromaticContact CD1-CE1 3.91Å; Y74-H121 AromaticContact CD2-CE1 3.58Å; Y74-H121 AromaticContact CD2-ND1 3.93Å; Y74-H121 AromaticContact CD2-NE2 3.96Å; Y74-H121 AromaticContact CE1-CE1 3.89Å; Y74-H121 AromaticContact CE1-NE2 3.86Å; Y74-H121 AromaticContact CE2-CD2 3.96Å; Y74-H121 AromaticContact CE2-CE1 3.57Å; Y74-H121 AromaticContact CE2-NE2 3.45Å; Y74-H121 WeakPolarHBondContact CE2-NE2 3.41Å; Y74-H121 AromaticContact CG-CE1 3.74Å; Y74-H121 AromaticContact CZ-CE1 3.71Å; Y74-H121 AromaticContact CZ-NE2 3.37Å; Y74-H121 PolarHBondContact O-CE1 3.44Å; Y74-K486 HydrophobicContact CE2-CB 4.16Å; Y74-K486 HydrophobicContact CE2-CD 4.43Å; Y74-K486 WeakPolarHBondContact OH-CB 3.36Å; Y74-A490 HydrophobicContact CD1-CB 3.32Å; Y74-A490 HydrophobicContact CE1-CB 3.7Å; Y74-A490 HydrophobicContact CG-CB 4.12Å |
| 75 | S | 94.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -28.4 | 178.4 | 174.1 | 0 | 0 | 0 | 0 | 113.2 | V73 S79 | V73-S75 VanDerWaalsContact C-N 3.31Å; V73-S75 PolarHBondContact O-N 2.88Å; S75-S79 PolarHBondContact O-N 3.38Å; S75-S79 PolarHBondContact O-OG 3.21Å |
| 76 | L | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.3 | -47.5 | 174.8 | 178.2 | 68 | 0 | 0 | 0 | 110.4 | V73 Y74 E78 S79 V80 V88 L236 K305 I307 | V73-L76 WeakPolarHBondContact O-CA 3.04Å; V73-L76 WeakPolarHBondContact O-CB 3.27Å; V73-L76 PolarHBondContact O-N 3.08Å; Y74-L76 VanDerWaalsContact C-N 3.26Å; Y74-L76 PolarHBondContact O-N 2.8Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 2.88Å; L76-S79 CarbonylContact O-C 3.49Å; L76-S79 WeakPolarHBondContact O-CA 3.41Å; L76-S79 VanDerWaalsContact O-CB 3.27Å; L76-S79 WeakPolarHBondContact O-CB 3.25Å; L76-S79 PolarHBondContact O-N 2.94Å; L76-V80 WeakPolarHBondContact O-CG2 3.31Å; L76-V80 PolarHBondContact O-N 2.91Å; L76-V88 HydrophobicContact CD2-CG2 3.37Å; L76-L236 HydrophobicContact CD2-CD1 4.4Å; L76-K305 HydrophobicContact CD1-CB 3.42Å; L76-K305 VanDerWaalsContact CD1-CB 3.42Å; L76-K305 WeakPolarHBondContact CD1-O 3.42Å; L76-I307 HydrophobicContact CB-CD1 3.68Å; L76-I307 HydrophobicContact CD2-CD1 3.69Å; L76-I307 HydrophobicContact CD2-CG1 4.09Å; L76-I307 HydrophobicContact CG-CD1 4.22Å |
| 77 | V | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 179.5 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | V73 Y74 S79 V80 L81 T118 H121 I122 L236 | V73-V77 HydrophobicContact CG1-CG2 4.09Å; V73-V77 PolarHBondContact O-N 3.28Å; Y74-V77 PolarHBondContact O-N 2.76Å; V77-S79 VanDerWaalsContact C-N 3.28Å; V77-S79 PolarHBondContact O-N 2.77Å; V77-V80 WeakPolarHBondContact O-CB 3.23Å; V77-V80 PolarHBondContact O-N 3.08Å; V77-L81 HydrophobicContact CG1-CD1 4.26Å; V77-L81 WeakPolarHBondContact O-CG 3.27Å; V77-L81 PolarHBondContact O-N 3.4Å; V77-T118 HydrophobicContact CG2-CG2 4.06Å; V77-H121 WeakPolarHBondContact CB-ND1 3.27Å; V77-H121 HydrophobicContact CG1-CB 4.42Å; V77-H121 VanDerWaalsContact CG1-ND1 3.3Å; V77-H121 WeakPolarHBondContact CG1-ND1 3.36Å; V77-I122 HydrophobicContact CG1-CD1 4.26Å; V77-I122 HydrophobicContact CG1-CG1 3.57Å; V77-L236 HydrophobicContact CG2-CD2 4.33Å |
| 78 | E | 95.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 15.2 Ų | 15.2 | 6% | 0.056 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.4 | -38.8 | 171.1 | -76.6 | -69.3 | 132 | 0 | 0 | 112.1 | Y74 L76 V80 L81 E82 H121 R483 K487 | Y74-E78 HydrophobicContact CD1-CG 3.98Å; Y74-E78 HydrophobicContact CE1-CG 3.59Å; Y74-E78 PolarHBondContact O-N 3.44Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 2.88Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.26Å; E78-L81 PolarHBondContact O-N 3.23Å; E78-E82 WeakPolarHBondContact O-CG 3.32Å; E78-E82 PolarHBondContact O-N 3.39Å; E78-H121 IonicContact OE1-CE1 3.53Å; E78-H121 IonicContact OE1-NE2 3.64Å; E78-H121 PolarHBondContact OE1-NE2 2.67Å; E78-R483 IonicContact OE1-CZ 2.89Å; E78-R483 IonicContact OE1-NH1 3.79Å; E78-R483 IonicContact OE1-NH2 3.99Å; E78-R483 PolarHBondContact OE1-NH2 3.43Å; E78-R483 IonicContact OE2-NH2 3.64Å; E78-K487 WeakPolarHBondContact OE2-CD 3.41Å; E78-K487 WeakPolarHBondContact OE2-CE 3.49Å; E78-K487 IonicContact OE2-NZ 3.8Å; E78-K487 PolarHBondContact OE2-NZ 2.84Å |
| 79 | S | 94.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.2 | -35.1 | 174 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | S75 L76 V77 L81 E82 G83 Y84 K305 | S75-S79 PolarHBondContact O-N 3.38Å; S75-S79 PolarHBondContact O-OG 3.21Å; L76-S79 CarbonylContact O-C 3.49Å; L76-S79 WeakPolarHBondContact O-CA 3.41Å; L76-S79 VanDerWaalsContact O-CB 3.27Å; L76-S79 WeakPolarHBondContact O-CB 3.25Å; L76-S79 PolarHBondContact O-N 2.94Å; V77-S79 VanDerWaalsContact C-N 3.28Å; V77-S79 PolarHBondContact O-N 2.77Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-E82 WeakPolarHBondContact O-CB 3.49Å; S79-E82 PolarHBondContact O-N 2.68Å; S79-E82 VanDerWaalsContact O-N 3.16Å; S79-G83 PolarHBondContact O-N 2.88Å; S79-Y84 WeakPolarHBondContact O-CB 3.22Å; S79-Y84 VanDerWaalsContact O-CD2 3.3Å; S79-Y84 WeakPolarHBondContact O-CD2 3.47Å; S79-Y84 PolarHBondContact O-N 3.38Å; S79-Y84 VanDerWaalsContact O-N 3.1Å; S79-K305 VanDerWaalsContact CB-NZ 3.27Å; S79-K305 PolarHBondContact OG-NZ 3.16Å |
| 80 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L76 V77 E78 E82 G83 Y84 L219 M221 A234 L236 | L76-V80 WeakPolarHBondContact O-CG2 3.31Å; L76-V80 PolarHBondContact O-N 2.91Å; V77-V80 WeakPolarHBondContact O-CB 3.23Å; V77-V80 PolarHBondContact O-N 3.08Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.26Å; V80-E82 PolarHBondContact O-N 2.81Å; V80-G83 PolarHBondContact O-N 3.1Å; V80-Y84 WeakPolarHBondContact CA-O 3.39Å; V80-L219 HydrophobicContact CG1-CD1 3.94Å; V80-L219 HydrophobicContact CG1-CD2 4.19Å; V80-M221 WeakPolarHBondContact O-CE 3.38Å; V80-A234 HydrophobicContact CG1-CB 3.88Å; V80-A234 WeakPolarHBondContact O-CB 3.43Å; V80-L236 HydrophobicContact CG1-CB 4.06Å; V80-L236 HydrophobicContact CG2-CB 4.25Å; V80-L236 HydrophobicContact CG2-CD1 4.18Å |
| 81 | L | 94.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 13.5 Ų | 13.5 | 11% | 0.11 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67 | -12.8 | 174.9 | -67.1 | 161.4 | 0 | 0 | 0 | 113.6 | V77 E78 S79 I122 A125 I126 F134 L219 | V77-L81 HydrophobicContact CG1-CD1 4.26Å; V77-L81 WeakPolarHBondContact O-CG 3.27Å; V77-L81 PolarHBondContact O-N 3.4Å; E78-L81 PolarHBondContact O-N 3.23Å; S79-L81 VanDerWaalsContact C-N 3.32Å; L81-I122 HydrophobicContact CD2-CG2 4.36Å; L81-A125 HydrophobicContact CD1-CB 3.29Å; L81-A125 HydrophobicContact CD2-CB 3.99Å; L81-A125 HydrophobicContact CG-CB 4.26Å; L81-I126 HydrophobicContact CD2-CG1 4.17Å; L81-F134 HydrophobicContact CD2-CE1 4.15Å; L81-L219 HydrophobicContact CD2-CD2 4.06Å |
| 82 | E | 93 | Very high | 95.8 | Very high | 86 Ų | 86 | 11.2 Ų | 11.2 | 40% | 0.402 | 5% | 0.054 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -7.8 | 172.4 | -69.6 | 168.3 | -176.2 | 0 | 0 | 113.1 | E78 S79 V80 Y84 | E78-E82 WeakPolarHBondContact O-CG 3.32Å; E78-E82 PolarHBondContact O-N 3.39Å; S79-E82 WeakPolarHBondContact O-CB 3.49Å; S79-E82 PolarHBondContact O-N 2.68Å; S79-E82 VanDerWaalsContact O-N 3.16Å; V80-E82 PolarHBondContact O-N 2.81Å; E82-Y84 HydrophobicContact CB-CD2 4.17Å; E82-Y84 HydrophobicContact CB-CE2 4.35Å |
| 83 | G | 93.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.8 | 11.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S79 V80 T233 I341 N342 | S79-G83 PolarHBondContact O-N 2.88Å; V80-G83 PolarHBondContact O-N 3.1Å; G83-T233 VanDerWaalsContact O-O 3.13Å; G83-I341 WeakPolarHBondContact O-CA 3.48Å; G83-N342 PolarHBondContact O-N 3.5Å; G83-N342 PolarHBondContact O-ND2 2.86Å |
| 84 | Y | 95.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 13.6 Ų | 13.6 | 20% | 0.2 | 7% | 0.067 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 146.6 | 171.7 | -66.9 | -84.6 | 0 | 0 | 0 | 111.5 | S79 V80 E82 A234 K305 P339 R340 I341 | S79-Y84 WeakPolarHBondContact O-CB 3.22Å; S79-Y84 VanDerWaalsContact O-CD2 3.3Å; S79-Y84 WeakPolarHBondContact O-CD2 3.47Å; S79-Y84 PolarHBondContact O-N 3.38Å; S79-Y84 VanDerWaalsContact O-N 3.1Å; V80-Y84 WeakPolarHBondContact CA-O 3.39Å; E82-Y84 HydrophobicContact CB-CD2 4.17Å; E82-Y84 HydrophobicContact CB-CE2 4.35Å; Y84-A234 WeakPolarHBondContact O-CB 3.36Å; Y84-K305 HydrophobicContact CG-CD 4.38Å; Y84-P339 HydrophobicContact CD1-CB 4Å; Y84-P339 HydrophobicContact CE1-CB 4.42Å; Y84-R340 WeakPolarHBondContact CD1-O 3.39Å; Y84-I341 HydrophobicContact CD1-CG1 4.35Å; Y84-I341 HydrophobicContact CD2-CG1 4.18Å; Y84-I341 HydrophobicContact CE1-CG1 3.86Å; Y84-I341 HydrophobicContact CE2-CD1 4.12Å; Y84-I341 HydrophobicContact CE2-CG1 3.65Å; Y84-I341 VanDerWaalsContact CZ-CG1 3.45Å |
| 85 | N | 96.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.053 | 9% | 0.089 | C | C | . | . | trans | -71.4 | 143.3 | 164.5 | -61.4 | -29.6 | 0 | 0 | 0 | 110.3 | K235 D298 N303 T304 K305 N342 | N85-K235 CarbonylContact C-O 3.57Å; N85-K235 WeakPolarHBondContact CA-O 3.41Å; N85-K235 PolarHBondContact OD1-N 3.34Å; N85-D298 PolarHBondContact ND2-OD2 3.3Å; N85-D298 VanDerWaalsContact ND2-OD2 3.15Å; N85-N303 WeakPolarHBondContact CB-O 3.48Å; N85-N303 PolarHBondContact ND2-O 3.04Å; N85-N303 VanDerWaalsContact ND2-O 3.08Å; N85-T304 HydrophobicContact CB-CG2 4.12Å; N85-T304 VanDerWaalsContact CB-OG1 3.3Å; N85-T304 WeakPolarHBondContact CB-OG1 3.18Å; N85-K305 PolarHBondContact O-N 3.45Å; N85-N342 PolarHBondContact OD1-ND2 3.41Å | ||
| 86 | G | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | K235 L236 H237 K305 | G86-K235 PolarHBondContact N-O 3.06Å; G86-L236 WeakPolarHBondContact O-CA 3.5Å; G86-H237 PolarHBondContact O-N 3.47Å; G86-K305 CarbonylContact C-O 3.57Å; G86-K305 WeakPolarHBondContact CA-O 3.22Å |
| 87 | T | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 132.1 | 169.1 | -64.2 | 0 | 0 | 0 | 0 | 109.9 | F89 H237 V239 S299 T304 K305 T306 I307 | T87-F89 HydrophobicContact CG2-CD1 4.01Å; T87-H237 CarbonylContact C-O 3.37Å; T87-H237 WeakPolarHBondContact CA-O 3.34Å; T87-H237 HydrophobicContact CG2-CB 4.04Å; T87-V239 HydrophobicContact CG2-CG2 4.48Å; T87-S299 PolarHBondContact OG1-OG 2.94Å; T87-T304 WeakPolarHBondContact OG1-CG2 3.3Å; T87-K305 PolarHBondContact N-O 3.29Å; T87-T306 HydrophobicContact CG2-CG2 4.35Å; T87-T306 CarbonylContact O-C 3.6Å; T87-T306 WeakPolarHBondContact O-CA 3.28Å; T87-I307 PolarHBondContact O-N 2.69Å |
| 88 | V | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.3 | 166.2 | -174.4 | 0 | 0 | 0 | 0 | 107 | V73 L76 M102 I114 H237 L238 V239 I307 I309 | V73-V88 HydrophobicContact CG1-CG2 4.17Å; L76-V88 HydrophobicContact CD2-CG2 3.37Å; V88-M102 HydrophobicContact CG1-CE 4.48Å; V88-M102 HydrophobicContact CG1-SD 4.23Å; V88-I114 HydrophobicContact CG1-CD1 4.4Å; V88-H237 PolarHBondContact N-O 3.1Å; V88-L238 HydrophobicContact CB-CD2 4.12Å; V88-L238 HydrophobicContact CG2-CD2 4.19Å; V88-V239 PolarHBondContact O-N 3.01Å; V88-I307 WeakPolarHBondContact CA-O 3.04Å; V88-I307 HydrophobicContact CG2-CB 4.46Å; V88-I309 HydrophobicContact CG1-CD1 3.63Å; V88-I309 HydrophobicContact CG1-CG1 4.26Å |
| 89 | F | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.4 | 173.4 | 67.3 | -96.2 | 0 | 0 | 0 | 112 | T87 V239 L241 L300 T306 I307 M308 I309 | T87-F89 HydrophobicContact CG2-CD1 4.01Å; F89-V239 WeakPolarHBondContact CA-O 3.34Å; F89-V239 HydrophobicContact CB-CB 3.63Å; F89-V239 HydrophobicContact CB-CG1 4.12Å; F89-V239 HydrophobicContact CB-CG2 4.3Å; F89-L241 HydrophobicContact CD2-CD1 3.81Å; F89-L241 HydrophobicContact CE2-CD1 4.46Å; F89-L300 HydrophobicContact CE1-CD2 4.11Å; F89-L300 HydrophobicContact CZ-CD2 4.29Å; F89-T306 HydrophobicContact CD1-CG2 3.94Å; F89-T306 HydrophobicContact CE1-CG2 3.46Å; F89-T306 VanDerWaalsContact CE1-CG2 3.46Å; F89-I307 PolarHBondContact N-O 3.32Å; F89-M308 HydrophobicContact CD2-CB 4.41Å; F89-M308 HydrophobicContact CD2-CG 4.12Å; F89-M308 HydrophobicContact CE1-CB 4.15Å; F89-M308 HydrophobicContact CE2-CB 3.72Å; F89-M308 HydrophobicContact CE2-CG 3.42Å; F89-M308 VanDerWaalsContact CE2-CG 3.42Å; F89-M308 HydrophobicContact CE2-SD 3.89Å; F89-M308 HydrophobicContact CZ-CB 3.57Å; F89-M308 HydrophobicContact CZ-CG 3.78Å; F89-M308 HydrophobicContact CZ-SD 4.15Å; F89-I309 PolarHBondContact O-N 2.78Å |
| 90 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K98 M102 V239 L241 I309 | A90-K98 HydrophobicContact CB-CB 3.95Å; A90-K98 HydrophobicContact CB-CG 4.26Å; A90-M102 HydrophobicContact CB-CG 3.76Å; A90-M102 HydrophobicContact CB-SD 4.16Å; A90-V239 PolarHBondContact N-O 3.22Å; A90-L241 WeakPolarHBondContact O-CB 3.27Å; A90-L241 WeakPolarHBondContact O-CG 3.47Å; A90-L241 PolarHBondContact O-N 2.84Å; A90-I309 CarbonylContact C-O 3.59Å; A90-I309 WeakPolarHBondContact CA-O 3.35Å |
| 91 | Y | 96.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 22 Ų | 22 | 5% | 0.051 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.1 | -176.6 | -180 | -87.4 | 0 | 0 | 0 | 111.1 | L241 S244 L267 M308 I309 A310 C311 T325 Y328 | Y91-L241 HydrophobicContact CD2-CD1 3.81Å; Y91-L241 HydrophobicContact CG-CD1 4.48Å; Y91-S244 WeakPolarHBondContact OH-CB 3.4Å; Y91-L267 HydrophobicContact CD2-CD2 4.44Å; Y91-L267 HydrophobicContact CE2-CD2 4.07Å; Y91-M308 HydrophobicContact CD1-CE 3.75Å; Y91-M308 HydrophobicContact CG-CE 3.91Å; Y91-I309 PolarHBondContact N-O 2.84Å; Y91-A310 WeakPolarHBondContact O-CA 3.46Å; Y91-C311 PolarHBondContact O-N 3.27Å; Y91-T325 HydrophobicContact CD1-CG2 3.86Å; Y91-T325 HydrophobicContact CE1-CG2 4.06Å; Y91-Y328 HydrophobicContact CD1-CD1 4.14Å; Y91-Y328 HydrophobicContact CD1-CE1 4.5Å; Y91-Y328 HydrophobicContact CD2-CE1 4.28Å; Y91-Y328 AromaticContact CE1-CD1 3.91Å; Y91-Y328 HydrophobicContact CE1-CD1 3.91Å; Y91-Y328 HydrophobicContact CE1-CD2 4.42Å; Y91-Y328 HydrophobicContact CE1-CE1 4.4Å; Y91-Y328 AromaticContact CE1-CG 3.91Å; Y91-Y328 HydrophobicContact CE1-CG 3.91Å; Y91-Y328 HydrophobicContact CE2-CD1 4.42Å; Y91-Y328 HydrophobicContact CE2-CE1 4.12Å; Y91-Y328 HydrophobicContact CE2-CE2 4.28Å; Y91-Y328 HydrophobicContact CG-CE1 4.46Å; Y91-Y328 AromaticContact CZ-CD2 3.99Å; Y91-Y328 AromaticContact CZ-CG 3.93Å |
| 92 | G | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 145.1 | 177 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K98 S244 | G92-K98 WeakPolarHBondContact O-CD 3.26Å; G92-K98 WeakPolarHBondContact O-CE 3.41Å; G92-K98 PolarHBondContact O-NZ 2.88Å; G92-S244 WeakPolarHBondContact CA-OG 3.5Å; G92-S244 PolarHBondContact O-N 2.77Å; G92-S244 VanDerWaalsContact O-N 3.14Å; G92-S244 PolarHBondContact O-OG 2.74Å |
| 93 | Q | 92.6 | Very high | 95 | Very high | 15 Ų | 15 | 18.8 Ų | 18.8 | 7% | 0.07 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -64.5 | 161.7 | -179 | 67.2 | 169.1 | 91.4 | 0 | 0 | 113.5 | G95 S96 K98 S244 E245 N318 E321 | Q93-G95 PolarHBondContact O-N 3.16Å; Q93-S96 WeakPolarHBondContact O-CB 3.35Å; Q93-S96 PolarHBondContact O-N 3.45Å; Q93-S96 VanDerWaalsContact O-N 3.12Å; Q93-S96 PolarHBondContact O-OG 3.41Å; Q93-K98 PolarHBondContact O-NZ 3.31Å; Q93-S244 PolarHBondContact N-OG 3.3Å; Q93-E245 VanDerWaalsContact CA-OE2 3.31Å; Q93-E245 WeakPolarHBondContact CA-OE2 3.3Å; Q93-E245 HydrophobicContact CB-CB 4.11Å; Q93-N318 VanDerWaalsContact NE2-CG 3.28Å; Q93-N318 PolarHBondContact NE2-OD1 2.71Å; Q93-N318 VanDerWaalsContact OE1-CB 3.24Å; Q93-N318 VanDerWaalsContact OE1-CG 3.3Å; Q93-N318 PolarHBondContact OE1-OD1 3.4Å; Q93-E321 HydrophobicContact CB-CB 4.17Å; Q93-E321 HydrophobicContact CG-CB 4.43Å |
| 94 | T | 90.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 19.6 Ų | 19.6 | 29% | 0.288 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 135.9 | 168.2 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | S96 E245 | T94-S96 VanDerWaalsContact C-N 3.27Å; T94-S96 PolarHBondContact O-N 2.93Å; T94-E245 WeakPolarHBondContact CB-OE1 3.41Å; T94-E245 PolarHBondContact N-OE2 3.44Å; T94-E245 VanDerWaalsContact OG1-CD 3.3Å; T94-E245 PolarHBondContact OG1-OE1 2.84Å; T94-E245 PolarHBondContact OG1-OE2 3.45Å |
| 95 | G | 90.4 | Very high | 94.7 | Very high | 48 Ų | 48 | 19.1 Ų | 19.1 | 50% | 0.495 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 8.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R14 Q93 G97 | R14-G95 PolarHBondContact NE-O 3.25Å; R14-G95 PolarHBondContact NH2-O 3.21Å; Q93-G95 PolarHBondContact O-N 3.16Å; G95-G97 VanDerWaalsContact C-N 3.29Å; G95-G97 PolarHBondContact O-N 3.4Å |
| 96 | S | 93.2 | Very high | 94 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -80.1 | -5.1 | 174.6 | 71.9 | 0 | 0 | 0 | 0 | 114.8 | Q93 T94 C311 | Q93-S96 WeakPolarHBondContact O-CB 3.35Å; Q93-S96 PolarHBondContact O-N 3.45Å; Q93-S96 VanDerWaalsContact O-N 3.12Å; Q93-S96 PolarHBondContact O-OG 3.41Å; T94-S96 VanDerWaalsContact C-N 3.27Å; T94-S96 PolarHBondContact O-N 2.93Å; S96-C311 WeakPolarHBondContact CB-O 3.45Å; S96-C311 VanDerWaalsContact OG-CB 3.28Å; S96-C311 WeakPolarHBondContact OG-CB 3.39Å; S96-C311 PolarHBondContact OG-O 2.92Å |
| 97 | G | 93.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 101.9 | 15.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G95 F100 T101 | G95-G97 VanDerWaalsContact C-N 3.29Å; G95-G97 PolarHBondContact O-N 3.4Å; G97-F100 PolarHBondContact O-N 3.23Å; G97-T101 WeakPolarHBondContact O-CB 3.25Å; G97-T101 PolarHBondContact O-N 3.39Å; G97-T101 PolarHBondContact O-OG1 3.44Å |
| 98 | K | 95.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.7 | -61.1 | 175.3 | -59.6 | -173.9 | -62.7 | -73.6 | 0 | 112.8 | A90 G92 Q93 F100 T101 M102 D240 L241 C311 | A90-K98 HydrophobicContact CB-CB 3.95Å; A90-K98 HydrophobicContact CB-CG 4.26Å; G92-K98 WeakPolarHBondContact O-CD 3.26Å; G92-K98 WeakPolarHBondContact O-CE 3.41Å; G92-K98 PolarHBondContact O-NZ 2.88Å; Q93-K98 PolarHBondContact O-NZ 3.31Å; K98-F100 VanDerWaalsContact C-N 3.3Å; K98-F100 PolarHBondContact O-N 3.18Å; K98-T101 WeakPolarHBondContact O-CB 3.36Å; K98-T101 PolarHBondContact O-N 3.48Å; K98-M102 PolarHBondContact O-N 3.43Å; K98-D240 WeakPolarHBondContact CB-OD1 3.42Å; K98-L241 WeakPolarHBondContact CE-O 3.43Å; K98-C311 HydrophobicContact CG-CB 3.98Å |
| 99 | S | 93.8 | Very high | 92.7 | Very high | 51 Ų | 51 | 44 Ų | 44 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -33.7 | 179.4 | -44.1 | 0 | 0 | 0 | 0 | 112.1 | T101 M102 Q103 G104 D240 | S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.42Å; S99-M102 PolarHBondContact O-N 3.49Å; S99-Q103 WeakPolarHBondContact O-CB 2.82Å; S99-Q103 PolarHBondContact O-N 2.9Å; S99-G104 PolarHBondContact O-N 3.09Å; S99-D240 WeakPolarHBondContact CB-OD2 3.3Å; S99-D240 PolarHBondContact OG-OD2 3.44Å |
| 100 | F | 94.4 | Very high | 92.6 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 37% | 0.373 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 170.9 | -178.2 | -87.9 | 0 | 0 | 0 | 112.1 | G97 K98 G104 P105 Q111 | G97-F100 PolarHBondContact O-N 3.23Å; K98-F100 VanDerWaalsContact C-N 3.3Å; K98-F100 PolarHBondContact O-N 3.18Å; F100-G104 WeakPolarHBondContact O-CA 3.42Å; F100-G104 PolarHBondContact O-N 2.94Å; F100-P105 HydrophobicContact CE2-CG 4.12Å; F100-Q111 HydrophobicContact CZ-CB 3.93Å; F100-Q111 HydrophobicContact CZ-CG 4.05Å |
| 101 | T | 96.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.7 | -41.9 | 178 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | R12 L68 G97 K98 S99 I114 I309 | R12-T101 WeakPolarHBondContact CD-OG1 3.23Å; R12-T101 PolarHBondContact NH1-OG1 3.03Å; L68-T101 HydrophobicContact CD1-CG2 4.18Å; G97-T101 WeakPolarHBondContact O-CB 3.25Å; G97-T101 PolarHBondContact O-N 3.39Å; G97-T101 PolarHBondContact O-OG1 3.44Å; K98-T101 WeakPolarHBondContact O-CB 3.36Å; K98-T101 PolarHBondContact O-N 3.48Å; S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.42Å; T101-I114 HydrophobicContact CG2-CD1 3.63Å; T101-I114 HydrophobicContact CG2-CG1 4.39Å; T101-I114 WeakPolarHBondContact O-CG1 3.23Å; T101-I114 PolarHBondContact O-N 3.19Å; T101-I309 HydrophobicContact CG2-CD1 4.18Å; T101-I309 HydrophobicContact CG2-CG2 4.24Å |
| 102 | M | 96.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.5 | -47 | -177.6 | -66.4 | -58.6 | -70.5 | 0 | 0 | 112.8 | V88 A90 K98 S99 G113 I114 V115 L238 D240 | V88-M102 HydrophobicContact CG1-CE 4.48Å; V88-M102 HydrophobicContact CG1-SD 4.23Å; A90-M102 HydrophobicContact CB-CG 3.76Å; A90-M102 HydrophobicContact CB-SD 4.16Å; K98-M102 PolarHBondContact O-N 3.43Å; S99-M102 PolarHBondContact O-N 3.49Å; M102-G113 CarbonylContact O-C 3.59Å; M102-I114 PolarHBondContact O-N 3.44Å; M102-I114 VanDerWaalsContact O-N 3.09Å; M102-I114 HydrophobicContact SD-CB 4.44Å; M102-I114 HydrophobicContact SD-CD1 4.11Å; M102-V115 HydrophobicContact CB-CG2 4.28Å; M102-V115 HydrophobicContact CE-CG2 3.98Å; M102-V115 VanDerWaalsContact O-CB 3.3Å; M102-V115 WeakPolarHBondContact O-CB 3.23Å; M102-V115 VanDerWaalsContact O-CG2 3.23Å; M102-V115 WeakPolarHBondContact O-CG2 3.2Å; M102-V115 PolarHBondContact O-N 2.68Å; M102-L238 HydrophobicContact CE-CB 3.87Å; M102-L238 HydrophobicContact CE-CD2 4.48Å; M102-D240 HydrophobicContact CG-CB 4.4Å |
| 103 | Q | 93.7 | Very high | 92.5 | Very high | 38 Ų | 38 | 49 Ų | 49 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -44.8 | -175.6 | -63.6 | 167 | 2.9 | 0 | 0 | 111.9 | S99 G113 M194 | S99-Q103 WeakPolarHBondContact O-CB 2.82Å; S99-Q103 PolarHBondContact O-N 2.9Å; Q103-G113 WeakPolarHBondContact O-CA 3.03Å; Q103-G113 PolarHBondContact O-N 3.32Å; Q103-M194 HydrophobicContact CG-SD 4.44Å |
| 104 | G | 91.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | trans | 66 | 170.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S99 F100 | S99-G104 PolarHBondContact O-N 3.09Å; F100-G104 WeakPolarHBondContact O-CA 3.42Å; F100-G104 PolarHBondContact O-N 2.94Å | ||
| 105 | P | 90.7 | Very high | 93 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | trans | -74.3 | 138.4 | 172.8 | 29.8 | -36.9 | 0 | 0 | 0 | 112 | F100 N107 W108 Q111 | F100-P105 HydrophobicContact CE2-CG 4.12Å; P105-N107 VanDerWaalsContact C-N 3.33Å; P105-N107 PolarHBondContact O-N 3.26Å; P105-W108 HydrophobicContact CB-CB 4.37Å; P105-W108 HydrophobicContact CG-CB 3.77Å; P105-W108 HydrophobicContact CG-CE3 4.35Å; P105-Q111 WeakPolarHBondContact CD-O 3.32Å; P105-Q111 HydrophobicContact CG-CB 3.89Å | ||
| 106 | D | 82.9 | Confident | 93.3 | Very high | 130 Ų | 130 | 44.5 Ų | 44.5 | 70% | 0.695 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -35.8 | 177.6 | -66.1 | -36 | 0 | 0 | 0 | 112.5 | W108 | D106-W108 PolarHBondContact O-N 3.04Š|
| 107 | N | 87 | Confident | 93.5 | Very high | 162 Ų | 162 | 45.6 Ų | 45.6 | 87% | 0.866 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.7 | -171.7 | -66.3 | -16.6 | 0 | 0 | 0 | 114.8 | P105 | P105-N107 VanDerWaalsContact C-N 3.33Å; P105-N107 PolarHBondContact O-N 3.26Å |
| 108 | W | 88.7 | Confident | 93.6 | Very high | 146 Ų | 146 | 44.8 Ų | 44.8 | 55% | 0.553 | 24% | 0.237 | S | C | * | . | trans | -123.4 | 92.7 | -174.3 | -163.9 | 4.9 | 0 | 0 | 0 | 110.8 | P105 D106 V110 Q111 K112 | P105-W108 HydrophobicContact CB-CB 4.37Å; P105-W108 HydrophobicContact CG-CB 3.77Å; P105-W108 HydrophobicContact CG-CE3 4.35Å; D106-W108 PolarHBondContact O-N 3.04Å; W108-V110 VanDerWaalsContact C-N 3.3Å; W108-V110 PolarHBondContact O-N 3.03Å; W108-V110 VanDerWaalsContact O-N 3.16Å; W108-Q111 HydrophobicContact CB-CB 4.27Å; W108-Q111 HydrophobicContact CD2-CB 3.88Å; W108-Q111 HydrophobicContact CD2-CG 3.57Å; W108-Q111 HydrophobicContact CE3-CB 3.91Å; W108-Q111 HydrophobicContact CE3-CG 3.59Å; W108-Q111 HydrophobicContact CG-CB 4.05Å; W108-Q111 HydrophobicContact CG-CG 4.17Å; W108-Q111 HydrophobicContact CH2-CG 4.1Å; W108-Q111 HydrophobicContact CZ2-CG 4.08Å; W108-Q111 HydrophobicContact CZ3-CG 3.86Å; W108-Q111 CarbonylContact O-C 3.54Å; W108-Q111 WeakPolarHBondContact O-CA 3.43Å; W108-Q111 PolarHBondContact O-N 3.02Å; W108-K112 PolarHBondContact O-N 3.16Å | ||
| 109 | P | 90.7 | Very high | 93.7 | Very high | 95 Ų | 95 | 44.2 Ų | 44.2 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -54.3 | -41.7 | -171.3 | -29.6 | 35.3 | 0 | 0 | 0 | 114 | Q111 K112 R117 | P109-Q111 VanDerWaalsContact C-N 3.26Å; P109-Q111 PolarHBondContact O-N 3.23Å; P109-K112 WeakPolarHBondContact O-CB 3.33Å; P109-K112 PolarHBondContact O-N 3.44Å; P109-R117 PolarHBondContact O-NH2 3.05Å |
| 110 | V | 92.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -66.1 | -28.1 | 179.9 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | T64 E66 W108 R117 | T64-V110 HydrophobicContact CG2-CG1 3.37Å; E66-V110 PolarHBondContact N-O 3.24Å; W108-V110 VanDerWaalsContact C-N 3.3Å; W108-V110 PolarHBondContact O-N 3.03Å; W108-V110 VanDerWaalsContact O-N 3.16Å; V110-R117 PolarHBondContact O-NH2 2.91Å |
| 111 | Q | 94.5 | Very high | 93.8 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -101.7 | 4.1 | 177.6 | -66.2 | -67.7 | -0.3 | 0 | 0 | 113.6 | T65 F100 P105 W108 P109 G113 | T65-Q111 PolarHBondContact OG1-OE1 2.97Å; F100-Q111 HydrophobicContact CZ-CB 3.93Å; F100-Q111 HydrophobicContact CZ-CG 4.05Å; P105-Q111 WeakPolarHBondContact CD-O 3.32Å; P105-Q111 HydrophobicContact CG-CB 3.89Å; W108-Q111 HydrophobicContact CB-CB 4.27Å; W108-Q111 HydrophobicContact CD2-CB 3.88Å; W108-Q111 HydrophobicContact CD2-CG 3.57Å; W108-Q111 HydrophobicContact CE3-CB 3.91Å; W108-Q111 HydrophobicContact CE3-CG 3.59Å; W108-Q111 HydrophobicContact CG-CB 4.05Å; W108-Q111 HydrophobicContact CG-CG 4.17Å; W108-Q111 HydrophobicContact CH2-CG 4.1Å; W108-Q111 HydrophobicContact CZ2-CG 4.08Å; W108-Q111 HydrophobicContact CZ3-CG 3.86Å; W108-Q111 CarbonylContact O-C 3.54Å; W108-Q111 WeakPolarHBondContact O-CA 3.43Å; W108-Q111 PolarHBondContact O-N 3.02Å; P109-Q111 VanDerWaalsContact C-N 3.26Å; P109-Q111 PolarHBondContact O-N 3.23Å; Q111-G113 PolarHBondContact O-N 2.81Å |
| 112 | K | 95.4 | Very high | 93.8 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | trans | -46.4 | 132.1 | 171.8 | -174.7 | 167.8 | -176.5 | 167.3 | 0 | 109.7 | T65 W108 P109 P116 R117 E120 E187 | T65-K112 WeakPolarHBondContact CG2-O 3.36Å; W108-K112 PolarHBondContact O-N 3.16Å; P109-K112 WeakPolarHBondContact O-CB 3.33Å; P109-K112 PolarHBondContact O-N 3.44Å; K112-P116 HydrophobicContact CD-CG 4.39Å; K112-P116 HydrophobicContact CG-CB 4.42Å; K112-P116 HydrophobicContact CG-CG 3.76Å; K112-R117 HydrophobicContact CB-CG 4.44Å; K112-R117 HydrophobicContact CG-CG 4.2Å; K112-R117 WeakPolarHBondContact O-CD 3.41Å; K112-R117 PolarHBondContact O-NE 3.47Å; K112-E120 WeakPolarHBondContact CE-OE1 3.42Å; K112-E120 IonicContact NZ-OE1 2.84Å; K112-E120 PolarHBondContact NZ-OE1 3.36Å; K112-E187 IonicContact NZ-OE1 3.86Å; K112-E187 PolarHBondContact NZ-OE1 3.37Å | ||
| 113 | G | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -68.8 | 170.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M102 Q103 Q111 V115 P116 R117 | M102-G113 CarbonylContact O-C 3.59Å; Q103-G113 WeakPolarHBondContact O-CA 3.03Å; Q103-G113 PolarHBondContact O-N 3.32Å; Q111-G113 PolarHBondContact O-N 2.81Å; G113-V115 PolarHBondContact O-N 2.99Å; G113-P116 WeakPolarHBondContact O-CD 3.38Å; G113-R117 WeakPolarHBondContact O-CB 3.44Å; G113-R117 WeakPolarHBondContact O-CG 3.14Å; G113-R117 PolarHBondContact O-N 3.3Å | ||
| 114 | I | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 176.6 | -68.3 | 168.4 | 0 | 0 | 0 | 111.8 | T65 L68 Y69 V73 V88 T101 M102 R117 T118 L238 I309 | T65-I114 HydrophobicContact CG2-CG1 4.28Å; L68-I114 HydrophobicContact CD2-CD1 3.68Å; L68-I114 HydrophobicContact CD2-CG1 4.19Å; Y69-I114 HydrophobicContact CD2-CG1 4.44Å; Y69-I114 HydrophobicContact CD2-CG2 4.27Å; Y69-I114 HydrophobicContact CE2-CG2 4.44Å; V73-I114 HydrophobicContact CG1-CG2 3.93Å; V73-I114 HydrophobicContact CG2-CD1 4.13Å; V73-I114 HydrophobicContact CG2-CG1 4.4Å; V73-I114 HydrophobicContact CG2-CG2 4.31Å; V88-I114 HydrophobicContact CG1-CD1 4.4Å; T101-I114 HydrophobicContact CG2-CD1 3.63Å; T101-I114 HydrophobicContact CG2-CG1 4.39Å; T101-I114 WeakPolarHBondContact O-CG1 3.23Å; T101-I114 PolarHBondContact O-N 3.19Å; M102-I114 PolarHBondContact O-N 3.44Å; M102-I114 VanDerWaalsContact O-N 3.09Å; M102-I114 HydrophobicContact SD-CB 4.44Å; M102-I114 HydrophobicContact SD-CD1 4.11Å; I114-R117 PolarHBondContact O-N 2.91Å; I114-T118 WeakPolarHBondContact O-CB 3.41Å; I114-T118 PolarHBondContact O-N 3.49Å; I114-T118 PolarHBondContact O-OG1 3.34Å; I114-T118 VanDerWaalsContact O-OG1 3.05Å; I114-L238 HydrophobicContact CG2-CD2 4.47Å; I114-I309 HydrophobicContact CD1-CD1 3.24Å |
| 115 | V | 97.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58 | -57.8 | -175.3 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | M102 G113 R117 T118 F119 L190 L238 | M102-V115 HydrophobicContact CB-CG2 4.28Å; M102-V115 HydrophobicContact CE-CG2 3.98Å; M102-V115 VanDerWaalsContact O-CB 3.3Å; M102-V115 WeakPolarHBondContact O-CB 3.23Å; M102-V115 VanDerWaalsContact O-CG2 3.23Å; M102-V115 WeakPolarHBondContact O-CG2 3.2Å; M102-V115 PolarHBondContact O-N 2.68Å; G113-V115 PolarHBondContact O-N 2.99Å; V115-R117 VanDerWaalsContact C-N 3.33Å; V115-R117 PolarHBondContact O-N 3.26Å; V115-T118 WeakPolarHBondContact O-CB 3.33Å; V115-T118 PolarHBondContact O-N 2.85Å; V115-F119 HydrophobicContact CG1-CE1 3.91Å; V115-F119 HydrophobicContact CG1-CE2 3.87Å; V115-F119 HydrophobicContact CG1-CZ 3.35Å; V115-F119 WeakPolarHBondContact O-CD1 3.39Å; V115-F119 PolarHBondContact O-N 2.82Å; V115-L190 HydrophobicContact CG1-CD1 4.09Å; V115-L190 HydrophobicContact CG1-CD2 3.86Å; V115-L238 HydrophobicContact CB-CD1 4.26Å; V115-L238 HydrophobicContact CG1-CD1 4.07Å; V115-L238 HydrophobicContact CG2-CB 4.04Å; V115-L238 HydrophobicContact CG2-CD1 4Å |
| 116 | P | 96.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.9 | -26.2 | -178.6 | 33.5 | -41 | 0 | 0 | 0 | 112.9 | K112 G113 F119 E120 | K112-P116 HydrophobicContact CD-CG 4.39Å; K112-P116 HydrophobicContact CG-CB 4.42Å; K112-P116 HydrophobicContact CG-CG 3.76Å; G113-P116 WeakPolarHBondContact O-CD 3.38Å; P116-F119 HydrophobicContact CB-CD2 4.4Å; P116-F119 WeakPolarHBondContact O-CB 3.4Å; P116-F119 PolarHBondContact O-N 3.37Å; P116-E120 PolarHBondContact O-N 2.83Å |
| 117 | R | 96.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 169.3 | -75.1 | 178.5 | -178.2 | -83.4 | 3.2 | 112.9 | E66 Y69 P109 V110 K112 G113 I114 V115 F119 E120 H121 | E66-R117 VanDerWaalsContact CB-NH2 3.31Å; E66-R117 IonicContact OE2-NH1 2.87Å; E66-R117 IonicContact OE2-NH2 3.39Å; E66-R117 PolarHBondContact OE2-NH2 3.47Å; Y69-R117 HydrophobicContact CD1-CB 4.45Å; Y69-R117 HydrophobicContact CD2-CB 3.86Å; Y69-R117 HydrophobicContact CE1-CB 4.36Å; Y69-R117 HydrophobicContact CE2-CB 3.78Å; Y69-R117 HydrophobicContact CG-CB 4.21Å; Y69-R117 PolarHBondContact OH-O 3.35Å; P109-R117 PolarHBondContact O-NH2 3.05Å; V110-R117 PolarHBondContact O-NH2 2.91Å; K112-R117 HydrophobicContact CB-CG 4.44Å; K112-R117 HydrophobicContact CG-CG 4.2Å; K112-R117 WeakPolarHBondContact O-CD 3.41Å; K112-R117 PolarHBondContact O-NE 3.47Å; G113-R117 WeakPolarHBondContact O-CB 3.44Å; G113-R117 WeakPolarHBondContact O-CG 3.14Å; G113-R117 PolarHBondContact O-N 3.3Å; I114-R117 PolarHBondContact O-N 2.91Å; V115-R117 VanDerWaalsContact C-N 3.33Å; V115-R117 PolarHBondContact O-N 3.26Å; R117-F119 VanDerWaalsContact C-N 3.28Å; R117-F119 PolarHBondContact O-N 2.81Å; R117-E120 PolarHBondContact O-N 3.3Å; R117-H121 WeakPolarHBondContact O-CB 3.32Å; R117-H121 PolarHBondContact O-N 2.88Å |
| 118 | T | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | 173.5 | -71.7 | 0 | 0 | 0 | 0 | 110.9 | Y69 V77 I114 V115 H121 I122 L217 L236 L238 | Y69-T118 WeakPolarHBondContact OH-CA 3.45Å; V77-T118 HydrophobicContact CG2-CG2 4.06Å; I114-T118 WeakPolarHBondContact O-CB 3.41Å; I114-T118 PolarHBondContact O-N 3.49Å; I114-T118 PolarHBondContact O-OG1 3.34Å; I114-T118 VanDerWaalsContact O-OG1 3.05Å; V115-T118 WeakPolarHBondContact O-CB 3.33Å; V115-T118 PolarHBondContact O-N 2.85Å; T118-H121 PolarHBondContact O-N 2.85Å; T118-I122 HydrophobicContact CG2-CD1 3.58Å; T118-I122 HydrophobicContact CG2-CG1 4.26Å; T118-I122 WeakPolarHBondContact O-CB 3.3Å; T118-I122 VanDerWaalsContact O-CG1 3.27Å; T118-I122 WeakPolarHBondContact O-CG1 3.34Å; T118-I122 PolarHBondContact O-N 3.22Å; T118-L217 HydrophobicContact CG2-CD1 4.34Å; T118-L236 HydrophobicContact CG2-CD2 3.45Å; T118-L236 VanDerWaalsContact CG2-CD2 3.45Å; T118-L238 HydrophobicContact CG2-CD1 4.21Å |
| 119 | F | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -52.9 | 175.9 | -54.9 | -22.1 | 0 | 0 | 0 | 111.2 | V115 P116 R117 H121 I122 F123 V183 C186 E187 L190 F215 L217 | V115-F119 HydrophobicContact CG1-CE1 3.91Å; V115-F119 HydrophobicContact CG1-CE2 3.87Å; V115-F119 HydrophobicContact CG1-CZ 3.35Å; V115-F119 WeakPolarHBondContact O-CD1 3.39Å; V115-F119 PolarHBondContact O-N 2.82Å; P116-F119 HydrophobicContact CB-CD2 4.4Å; P116-F119 WeakPolarHBondContact O-CB 3.4Å; P116-F119 PolarHBondContact O-N 3.37Å; R117-F119 VanDerWaalsContact C-N 3.28Å; R117-F119 PolarHBondContact O-N 2.81Å; F119-H121 VanDerWaalsContact C-N 3.28Å; F119-H121 PolarHBondContact O-N 2.83Å; F119-I122 PolarHBondContact O-N 2.89Å; F119-F123 VanDerWaalsContact O-CD2 3.26Å; F119-F123 WeakPolarHBondContact O-CD2 3.47Å; F119-F123 PolarHBondContact O-N 2.98Å; F119-V183 HydrophobicContact CB-CG1 4.08Å; F119-C186 HydrophobicContact CB-CB 4.3Å; F119-C186 HydrophobicContact CD1-CB 4.13Å; F119-C186 HydrophobicContact CD2-CB 3.52Å; F119-C186 HydrophobicContact CE1-CB 4.33Å; F119-C186 HydrophobicContact CE2-CB 3.74Å; F119-C186 HydrophobicContact CG-CB 3.73Å; F119-C186 HydrophobicContact CZ-CB 4.14Å; F119-E187 HydrophobicContact CD2-CG 4.17Å; F119-L190 HydrophobicContact CE2-CB 4.28Å; F119-L190 HydrophobicContact CE2-CD2 4.06Å; F119-F215 HydrophobicContact CE1-CD1 4.13Å; F119-F215 AromaticContact CE1-CE1 3.49Å; F119-F215 HydrophobicContact CE1-CE1 3.49Å; F119-F215 VanDerWaalsContact CE1-CE1 3.49Å; F119-F215 HydrophobicContact CE1-CZ 4.04Å; F119-F215 HydrophobicContact CZ-CD1 4.13Å; F119-F215 AromaticContact CZ-CE1 3.49Å; F119-F215 HydrophobicContact CZ-CE1 3.49Å; F119-F215 VanDerWaalsContact CZ-CE1 3.49Å; F119-F215 HydrophobicContact CZ-CE2 4.33Å; F119-F215 AromaticContact CZ-CZ 3.61Å; F119-F215 HydrophobicContact CZ-CZ 3.61Å; F119-L217 HydrophobicContact CD1-CD1 3.96Å; F119-L217 HydrophobicContact CE1-CD1 3.98Å; F119-L217 HydrophobicContact CE1-CD2 4.45Å; F119-L217 HydrophobicContact CE1-CG 4.45Å |
| 120 | E | 95 | Very high | 94.1 | Very high | 79 Ų | 79 | 23.9 Ų | 23.9 | 37% | 0.369 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -54.2 | -46.6 | 176.8 | -69.6 | 175.1 | 178.4 | 0 | 0 | 111.8 | K112 P116 R117 E124 V183 | K112-E120 WeakPolarHBondContact CE-OE1 3.42Å; K112-E120 IonicContact NZ-OE1 2.84Å; K112-E120 PolarHBondContact NZ-OE1 3.36Å; P116-E120 PolarHBondContact O-N 2.83Å; R117-E120 PolarHBondContact O-N 3.3Å; E120-E124 WeakPolarHBondContact O-CB 3.46Å; E120-E124 PolarHBondContact O-N 3.43Å; E120-V183 HydrophobicContact CG-CG1 4.07Å |
| 121 | H | 95.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | -179.3 | -177.3 | -166.7 | 0 | 0 | 0 | 112.7 | Y69 Y74 V77 E78 R117 T118 F119 A125 | Y69-H121 HydrophobicContact CE1-CB 4.46Å; Y69-H121 AromaticContact CZ-ND1 3.87Å; Y69-H121 WeakPolarHBondContact OH-CB 3.37Å; Y69-H121 PolarHBondContact OH-ND1 3.32Å; Y74-H121 AromaticContact CD1-CE1 3.91Å; Y74-H121 AromaticContact CD2-CE1 3.58Å; Y74-H121 AromaticContact CD2-ND1 3.93Å; Y74-H121 AromaticContact CD2-NE2 3.96Å; Y74-H121 AromaticContact CE1-CE1 3.89Å; Y74-H121 AromaticContact CE1-NE2 3.86Å; Y74-H121 AromaticContact CE2-CD2 3.96Å; Y74-H121 AromaticContact CE2-CE1 3.57Å; Y74-H121 AromaticContact CE2-NE2 3.45Å; Y74-H121 WeakPolarHBondContact CE2-NE2 3.41Å; Y74-H121 AromaticContact CG-CE1 3.74Å; Y74-H121 AromaticContact CZ-CE1 3.71Å; Y74-H121 AromaticContact CZ-NE2 3.37Å; Y74-H121 PolarHBondContact O-CE1 3.44Å; V77-H121 WeakPolarHBondContact CB-ND1 3.27Å; V77-H121 HydrophobicContact CG1-CB 4.42Å; V77-H121 VanDerWaalsContact CG1-ND1 3.3Å; V77-H121 WeakPolarHBondContact CG1-ND1 3.36Å; E78-H121 IonicContact OE1-CE1 3.53Å; E78-H121 IonicContact OE1-NE2 3.64Å; E78-H121 PolarHBondContact OE1-NE2 2.67Å; R117-H121 WeakPolarHBondContact O-CB 3.32Å; R117-H121 PolarHBondContact O-N 2.88Å; T118-H121 PolarHBondContact O-N 2.85Å; F119-H121 VanDerWaalsContact C-N 3.28Å; F119-H121 PolarHBondContact O-N 2.83Å; H121-A125 WeakPolarHBondContact O-CB 3.44Å; H121-A125 PolarHBondContact O-N 2.94Å |
| 122 | I | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 179.6 | -72.8 | 172.1 | 0 | 0 | 0 | 110.5 | V77 L81 T118 F119 A125 I126 I136 L217 L219 L236 | V77-I122 HydrophobicContact CG1-CD1 4.26Å; V77-I122 HydrophobicContact CG1-CG1 3.57Å; L81-I122 HydrophobicContact CD2-CG2 4.36Å; T118-I122 HydrophobicContact CG2-CD1 3.58Å; T118-I122 HydrophobicContact CG2-CG1 4.26Å; T118-I122 WeakPolarHBondContact O-CB 3.3Å; T118-I122 VanDerWaalsContact O-CG1 3.27Å; T118-I122 WeakPolarHBondContact O-CG1 3.34Å; T118-I122 PolarHBondContact O-N 3.22Å; F119-I122 PolarHBondContact O-N 2.89Å; I122-A125 WeakPolarHBondContact O-CA 3.5Å; I122-A125 VanDerWaalsContact O-CB 3.25Å; I122-A125 WeakPolarHBondContact O-CB 3.49Å; I122-A125 PolarHBondContact O-N 3.17Å; I122-A125 VanDerWaalsContact O-N 3.12Å; I122-I126 HydrophobicContact CG2-CD1 3.56Å; I122-I126 HydrophobicContact CG2-CG1 4.42Å; I122-I126 VanDerWaalsContact O-CG1 3.26Å; I122-I126 WeakPolarHBondContact O-CG1 3.27Å; I122-I126 PolarHBondContact O-N 3.09Å; I122-I136 HydrophobicContact CG2-CD1 3.78Å; I122-L217 HydrophobicContact CD1-CD1 3.52Å; I122-L219 HydrophobicContact CG2-CD2 4.28Å; I122-L236 HydrophobicContact CD1-CD2 4.05Å |
| 123 | F | 95.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 10% | 0.101 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72 | -34.1 | -178.8 | -73.3 | -75.3 | 0 | 0 | 0 | 112.7 | F119 A125 I126 S127 I136 V180 H181 V183 I469 | F119-F123 VanDerWaalsContact O-CD2 3.26Å; F119-F123 WeakPolarHBondContact O-CD2 3.47Å; F119-F123 PolarHBondContact O-N 2.98Å; F123-A125 PolarHBondContact O-N 3.32Å; F123-I126 PolarHBondContact O-N 2.87Å; F123-S127 WeakPolarHBondContact O-CB 3.5Å; F123-S127 PolarHBondContact O-N 2.92Å; F123-S127 PolarHBondContact O-OG 2.9Å; F123-I136 HydrophobicContact CD1-CD1 4.32Å; F123-I136 HydrophobicContact CE1-CD1 3.7Å; F123-I136 HydrophobicContact CZ-CD1 3.82Å; F123-V180 HydrophobicContact CZ-CB 4.36Å; F123-V180 HydrophobicContact CZ-CG2 4.15Å; F123-H181 VanDerWaalsContact CE1-O 3.23Å; F123-H181 WeakPolarHBondContact CE1-O 3.07Å; F123-V183 HydrophobicContact CB-CG2 3.8Å; F123-V183 HydrophobicContact CD2-CB 4.43Å; F123-V183 HydrophobicContact CD2-CG2 3.7Å; F123-V183 HydrophobicContact CG-CG2 4.06Å; F123-I469 HydrophobicContact CD1-CD1 3.85Å; F123-I469 HydrophobicContact CE1-CD1 3.47Å; F123-I469 VanDerWaalsContact CE1-CD1 3.47Å |
| 124 | E | 93.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 31.2 Ų | 31.2 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -32.1 | 168.9 | -178.1 | 179.6 | 175.8 | 0 | 0 | 111 | E120 S127 T128 L479 K486 | E120-E124 WeakPolarHBondContact O-CB 3.46Å; E120-E124 PolarHBondContact O-N 3.43Å; E124-S127 PolarHBondContact O-OG 3.04Å; E124-T128 WeakPolarHBondContact O-CG2 3.36Å; E124-T128 PolarHBondContact O-OG1 3.37Å; E124-L479 HydrophobicContact CG-CD1 4.25Å; E124-K486 VanDerWaalsContact CD-NZ 3.29Å; E124-K486 IonicContact OE1-NZ 3.03Å; E124-K486 PolarHBondContact OE1-NZ 3.45Å; E124-K486 IonicContact OE2-NZ 3.45Å; E124-K486 PolarHBondContact OE2-NZ 3.15Å |
| 125 | A | 92.7 | Very high | 93 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.3 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L81 H121 I122 F123 S127 T128 T129 | L81-A125 HydrophobicContact CD1-CB 3.29Å; L81-A125 HydrophobicContact CD2-CB 3.99Å; L81-A125 HydrophobicContact CG-CB 4.26Å; H121-A125 WeakPolarHBondContact O-CB 3.44Å; H121-A125 PolarHBondContact O-N 2.94Å; I122-A125 WeakPolarHBondContact O-CA 3.5Å; I122-A125 VanDerWaalsContact O-CB 3.25Å; I122-A125 WeakPolarHBondContact O-CB 3.49Å; I122-A125 PolarHBondContact O-N 3.17Å; I122-A125 VanDerWaalsContact O-N 3.12Å; F123-A125 PolarHBondContact O-N 3.32Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.16Å; A125-T128 PolarHBondContact O-N 3.18Å; A125-T128 PolarHBondContact O-OG1 2.93Å; A125-T128 VanDerWaalsContact O-OG1 3.13Å; A125-T129 WeakPolarHBondContact O-CB 3.49Å; A125-T129 PolarHBondContact O-N 2.99Å; A125-T129 VanDerWaalsContact O-N 3.07Å; A125-T129 PolarHBondContact O-OG1 2.91Å |
| 126 | I | 92.3 | Very high | 93 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -37.1 | -176.1 | -70.6 | 171.4 | 0 | 0 | 0 | 110.1 | L81 I122 F123 T128 F134 I136 I469 G471 | L81-I126 HydrophobicContact CD2-CG1 4.17Å; I122-I126 HydrophobicContact CG2-CD1 3.56Å; I122-I126 HydrophobicContact CG2-CG1 4.42Å; I122-I126 VanDerWaalsContact O-CG1 3.26Å; I122-I126 WeakPolarHBondContact O-CG1 3.27Å; I122-I126 PolarHBondContact O-N 3.09Å; F123-I126 PolarHBondContact O-N 2.87Å; I126-T128 PolarHBondContact O-N 3.38Å; I126-F134 HydrophobicContact CB-CD2 4.07Å; I126-F134 HydrophobicContact CB-CE2 4.36Å; I126-F134 HydrophobicContact CB-CG 4.34Å; I126-F134 HydrophobicContact CD1-CB 3.85Å; I126-F134 HydrophobicContact CD1-CD1 3.84Å; I126-F134 HydrophobicContact CD1-CD2 4.36Å; I126-F134 HydrophobicContact CD1-CE1 4.46Å; I126-F134 HydrophobicContact CD1-CG 3.77Å; I126-F134 HydrophobicContact CG1-CB 4.16Å; I126-F134 HydrophobicContact CG1-CD1 3.74Å; I126-F134 HydrophobicContact CG1-CD2 3.72Å; I126-F134 HydrophobicContact CG1-CE1 3.97Å; I126-F134 HydrophobicContact CG1-CE2 3.95Å; I126-F134 HydrophobicContact CG1-CG 3.61Å; I126-F134 HydrophobicContact CG1-CZ 4.08Å; I126-F134 HydrophobicContact CG2-CB 4.01Å; I126-F134 HydrophobicContact CG2-CD2 3.6Å; I126-F134 HydrophobicContact CG2-CE2 4.28Å; I126-F134 HydrophobicContact CG2-CG 3.96Å; I126-I136 HydrophobicContact CD1-CD1 3.27Å; I126-I136 HydrophobicContact CD1-CG1 4.03Å; I126-I469 HydrophobicContact CG2-CB 4.47Å; I126-I469 HydrophobicContact CG2-CD1 4.01Å; I126-I469 HydrophobicContact CG2-CG1 3.99Å; I126-G471 PolarHBondContact O-N 2.78Å |
| 127 | S | 91.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.6 | -20.5 | 178.3 | 73.7 | 0 | 0 | 0 | 0 | 113.9 | F123 E124 A125 G471 E472 Q473 | F123-S127 WeakPolarHBondContact O-CB 3.5Å; F123-S127 PolarHBondContact O-N 2.92Å; F123-S127 PolarHBondContact O-OG 2.9Å; E124-S127 PolarHBondContact O-OG 3.04Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.16Å; S127-G471 CarbonylContact O-C 3.56Å; S127-E472 PolarHBondContact O-N 2.95Å; S127-Q473 CarbonylContact O-C 3.55Å; S127-Q473 WeakPolarHBondContact O-CA 3.2Å; S127-Q473 PolarHBondContact O-N 2.85Å; S127-Q473 PolarHBondContact OG-OE1 2.89Å |
| 128 | T | 89.9 | Confident | 93 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 8% | 0.08 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -113.4 | 0.5 | -174.5 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | E124 A125 I126 L474 L479 V480 R483 | E124-T128 WeakPolarHBondContact O-CG2 3.36Å; E124-T128 PolarHBondContact O-OG1 3.37Å; A125-T128 PolarHBondContact O-N 3.18Å; A125-T128 PolarHBondContact O-OG1 2.93Å; A125-T128 VanDerWaalsContact O-OG1 3.13Å; I126-T128 PolarHBondContact O-N 3.38Å; T128-L474 VanDerWaalsContact O-CD2 3.29Å; T128-L474 WeakPolarHBondContact O-CD2 3.23Å; T128-L479 HydrophobicContact CG2-CD2 3.83Å; T128-L479 HydrophobicContact CG2-CG 3.96Å; T128-V480 HydrophobicContact CG2-CG2 4.11Å; T128-R483 WeakPolarHBondContact OG1-CD 3.43Å; T128-R483 PolarHBondContact OG1-NE 2.98Å |
| 129 | T | 89.1 | Confident | 93 | Very high | 43 Ų | 43 | 31.8 Ų | 31.8 | 26% | 0.264 | 16% | 0.16 | S | C | . | . | trans | -90.5 | 131.3 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 110 | A125 V132 F134 | A125-T129 WeakPolarHBondContact O-CB 3.49Å; A125-T129 PolarHBondContact O-N 2.99Å; A125-T129 VanDerWaalsContact O-N 3.07Å; A125-T129 PolarHBondContact O-OG1 2.91Å; T129-V132 HydrophobicContact CG2-CB 3.93Å; T129-V132 HydrophobicContact CG2-CG2 3.96Å; T129-F134 HydrophobicContact CG2-CE2 4.35Å; T129-F134 HydrophobicContact CG2-CZ 4.43Å | ||
| 130 | E | 85.7 | Confident | 93 | Very high | 128 Ų | 128 | 32 Ų | 32 | 60% | 0.598 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -88.4 | 148.1 | 178.5 | -63.9 | -179 | -177.2 | 0 | 0 | 111.4 | V132 L474 | E130-V132 PolarHBondContact O-N 2.91Å; E130-L474 HydrophobicContact CB-CD2 4.43Å; E130-L474 HydrophobicContact CG-CD1 3.82Å; E130-L474 HydrophobicContact CG-CD2 3.31Å; E130-L474 HydrophobicContact CG-CG 4.18Å |
| 131 | N | 85.4 | Confident | 93 | Very high | 125 Ų | 125 | 28.5 Ų | 28.5 | 67% | 0.668 | 14% | 0.144 | S | C | * | . | S | Bend | trans | 58 | 12.9 | 172.9 | -53.7 | -43.6 | 0 | 0 | 0 | 116.4 | V224 | N131-V224 PolarHBondContact O-N 2.88Š|
| 132 | V | 90.3 | Very high | 92.9 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 13% | 0.127 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.5 | 175 | -171.7 | 0 | 0 | 0 | 0 | 109 | T129 E130 F134 M221 F222 E223 | T129-V132 HydrophobicContact CG2-CB 3.93Å; T129-V132 HydrophobicContact CG2-CG2 3.96Å; E130-V132 PolarHBondContact O-N 2.91Å; V132-F134 HydrophobicContact CB-CE2 3.77Å; V132-F134 HydrophobicContact CB-CZ 4.12Å; V132-F134 HydrophobicContact CG1-CD2 4.07Å; V132-F134 HydrophobicContact CG1-CE1 4.23Å; V132-F134 HydrophobicContact CG1-CE2 3.48Å; V132-F134 VanDerWaalsContact CG1-CE2 3.48Å; V132-F134 HydrophobicContact CG1-CZ 3.56Å; V132-M221 HydrophobicContact CG1-CB 4.13Å; V132-F222 WeakPolarHBondContact CA-O 2.85Å; V132-E223 HydrophobicContact CG2-CB 4.15Å; V132-E223 HydrophobicContact CG2-CG 4.05Å |
| 133 | K | 90.4 | Very high | 92.8 | Very high | 126 Ų | 126 | 28.2 Ų | 28.2 | 55% | 0.548 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 146.4 | 171.9 | -78.7 | -176.5 | 179.5 | -170.9 | 0 | 109.3 | M221 F222 I468 | K133-M221 CarbonylContact O-C 3.56Å; K133-M221 WeakPolarHBondContact O-CA 3.21Å; K133-F222 HydrophobicContact CB-CB 4.19Å; K133-F222 PolarHBondContact N-O 3.35Å; K133-F222 PolarHBondContact O-N 3.47Å; K133-I468 HydrophobicContact CB-CG2 3.49Å; K133-I468 VanDerWaalsContact CB-CG2 3.49Å; K133-I468 HydrophobicContact CD-CG2 3.72Å; K133-I468 HydrophobicContact CG-CG2 3.91Å |
| 134 | F | 93.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.5 | -174.2 | -64.1 | -103.3 | 0 | 0 | 0 | 110.3 | L81 I126 T129 V132 E220 M221 I469 | L81-F134 HydrophobicContact CD2-CE1 4.15Å; I126-F134 HydrophobicContact CB-CD2 4.07Å; I126-F134 HydrophobicContact CB-CE2 4.36Å; I126-F134 HydrophobicContact CB-CG 4.34Å; I126-F134 HydrophobicContact CD1-CB 3.85Å; I126-F134 HydrophobicContact CD1-CD1 3.84Å; I126-F134 HydrophobicContact CD1-CD2 4.36Å; I126-F134 HydrophobicContact CD1-CE1 4.46Å; I126-F134 HydrophobicContact CD1-CG 3.77Å; I126-F134 HydrophobicContact CG1-CB 4.16Å; I126-F134 HydrophobicContact CG1-CD1 3.74Å; I126-F134 HydrophobicContact CG1-CD2 3.72Å; I126-F134 HydrophobicContact CG1-CE1 3.97Å; I126-F134 HydrophobicContact CG1-CE2 3.95Å; I126-F134 HydrophobicContact CG1-CG 3.61Å; I126-F134 HydrophobicContact CG1-CZ 4.08Å; I126-F134 HydrophobicContact CG2-CB 4.01Å; I126-F134 HydrophobicContact CG2-CD2 3.6Å; I126-F134 HydrophobicContact CG2-CE2 4.28Å; I126-F134 HydrophobicContact CG2-CG 3.96Å; T129-F134 HydrophobicContact CG2-CE2 4.35Å; T129-F134 HydrophobicContact CG2-CZ 4.43Å; V132-F134 HydrophobicContact CB-CE2 3.77Å; V132-F134 HydrophobicContact CB-CZ 4.12Å; V132-F134 HydrophobicContact CG1-CD2 4.07Å; V132-F134 HydrophobicContact CG1-CE1 4.23Å; V132-F134 HydrophobicContact CG1-CE2 3.48Å; V132-F134 VanDerWaalsContact CG1-CE2 3.48Å; V132-F134 HydrophobicContact CG1-CZ 3.56Å; F134-E220 CarbonylContact C-O 3.36Å; F134-E220 VanDerWaalsContact CA-O 3.31Å; F134-E220 WeakPolarHBondContact CA-O 3.41Å; F134-M221 HydrophobicContact CD1-CG 3.55Å; F134-M221 HydrophobicContact CD1-SD 4.46Å; F134-M221 HydrophobicContact CE1-CB 4.47Å; F134-M221 HydrophobicContact CE1-CG 3.47Å; F134-M221 VanDerWaalsContact CE1-CG 3.47Å; F134-M221 HydrophobicContact CE1-SD 3.86Å; F134-M221 HydrophobicContact CZ-CG 4.41Å; F134-I469 HydrophobicContact CB-CG1 4.36Å; F134-I469 PolarHBondContact N-O 2.82Å; F134-I469 WeakPolarHBondContact O-CG1 3.45Å; F134-I469 PolarHBondContact O-N 3.42Å |
| 135 | L | 93.4 | Very high | 92.1 | Very high | 24 Ų | 24 | 28.4 Ų | 28.4 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.6 | 164.2 | 175.3 | 67 | 0 | 0 | 0 | 107.5 | E220 F222 Q467 | L135-E220 HydrophobicContact CB-CB 4.3Å; L135-E220 PolarHBondContact N-O 3.13Å; L135-E220 PolarHBondContact O-N 3.42Å; L135-F222 HydrophobicContact CB-CE2 3.96Å; L135-Q467 HydrophobicContact CD1-CB 3.82Å |
| 136 | I | 95.8 | Very high | 92 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.7 | -179.5 | -47.7 | 177.6 | 0 | 0 | 0 | 109.4 | I122 F123 I126 P179 V180 L217 H218 L219 I469 | I122-I136 HydrophobicContact CG2-CD1 3.78Å; F123-I136 HydrophobicContact CD1-CD1 4.32Å; F123-I136 HydrophobicContact CE1-CD1 3.7Å; F123-I136 HydrophobicContact CZ-CD1 3.82Å; I126-I136 HydrophobicContact CD1-CD1 3.27Å; I126-I136 HydrophobicContact CD1-CG1 4.03Å; I136-P179 WeakPolarHBondContact O-CA 3.45Å; I136-V180 HydrophobicContact CB-CG2 3.8Å; I136-V180 HydrophobicContact CG2-CG2 3.56Å; I136-V180 WeakPolarHBondContact O-CG2 3.08Å; I136-V180 PolarHBondContact O-N 3.37Å; I136-L217 HydrophobicContact CG2-CD2 4.1Å; I136-H218 CarbonylContact C-O 3.59Å; I136-H218 WeakPolarHBondContact CA-O 3.26Å; I136-L219 HydrophobicContact CG1-CG 4.49Å; I136-I469 HydrophobicContact CD1-CD1 4.08Å; I136-I469 HydrophobicContact CG1-CD1 4.44Å |
| 137 | C | 95.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.7 | 172.5 | -70.3 | 0 | 0 | 0 | 0 | 110.2 | M177 H178 H218 | C137-M177 HydrophobicContact CB-CE 3.59Å; C137-H178 CarbonylContact C-O 3.16Å; C137-H178 WeakPolarHBondContact CA-O 3.39Å; C137-H218 HydrophobicContact CB-CB 4.25Å; C137-H218 PolarHBondContact N-O 3.33Å; C137-H218 PolarHBondContact O-N 2.94Å |
| 138 | A | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 141 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H178 V180 L189 F215 T216 L217 | A138-H178 PolarHBondContact N-O 3.02Å; A138-H178 PolarHBondContact O-N 2.91Å; A138-V180 HydrophobicContact CB-CG1 4.16Å; A138-V180 HydrophobicContact CB-CG2 4.45Å; A138-L189 HydrophobicContact CB-CD1 3.92Å; A138-F215 HydrophobicContact CB-CE1 4.31Å; A138-F215 HydrophobicContact CB-CZ 3.93Å; A138-T216 WeakPolarHBondContact CA-O 3.4Å; A138-L217 HydrophobicContact CB-CD2 3.95Å |
| 139 | S | 96.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.6 | 165.4 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | S176 T216 | S139-S176 WeakPolarHBondContact CB-O 3.31Å; S139-T216 PolarHBondContact N-O 3.44Å; S139-T216 PolarHBondContact O-N 3.39Å |
| 140 | Y | 97.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 118.7 | 176.7 | -167.8 | -166.9 | 0 | 0 | 0 | 109.7 | L151 L190 M194 S213 I214 F215 | Y140-L151 HydrophobicContact CD1-CB 4.17Å; Y140-L151 HydrophobicContact CD1-CD1 3.83Å; Y140-L151 HydrophobicContact CD2-CD1 3.83Å; Y140-L151 HydrophobicContact CE1-CD1 3.71Å; Y140-L151 HydrophobicContact CE2-CD1 3.76Å; Y140-L151 HydrophobicContact CG-CB 4.21Å; Y140-L151 HydrophobicContact CG-CD1 3.86Å; Y140-L151 WeakPolarHBondContact O-CB 3.46Å; Y140-L151 PolarHBondContact O-N 3.49Å; Y140-L190 HydrophobicContact CE1-CD1 4.22Å; Y140-M194 HydrophobicContact CE1-CG 4.46Å; Y140-S213 PolarHBondContact OH-OG 3.06Å; Y140-I214 WeakPolarHBondContact CD2-O 3.32Å; Y140-F215 AromaticContact CD1-CD2 3.86Å; Y140-F215 HydrophobicContact CD1-CD2 3.86Å; Y140-F215 HydrophobicContact CD1-CE2 4.41Å; Y140-F215 HydrophobicContact CD2-CB 3.86Å; Y140-F215 AromaticContact CD2-CD2 3.89Å; Y140-F215 HydrophobicContact CD2-CD2 3.89Å; Y140-F215 HydrophobicContact CD2-CG 4.36Å; Y140-F215 HydrophobicContact CE1-CD2 4.47Å; Y140-F215 HydrophobicContact CE2-CB 4.12Å; Y140-F215 HydrophobicContact CE2-CD2 4.45Å; Y140-F215 HydrophobicContact CG-CB 4.41Å; Y140-F215 AromaticContact CG-CD2 3.57Å; Y140-F215 HydrophobicContact CG-CD2 3.57Å; Y140-F215 HydrophobicContact CG-CE2 4.33Å; Y140-F215 HydrophobicContact CG-CG 4.44Å |
| 141 | L | 95.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 157.9 | -178.6 | 69.6 | 83.1 | 0 | 0 | 0 | 111.6 | I143 V148 R149 V172 L175 S213 I214 L295 | L141-I143 HydrophobicContact CD1-CD1 4.45Å; L141-I143 HydrophobicContact CD1-CG1 3.86Å; L141-V148 HydrophobicContact CD1-CG1 4.38Å; L141-R149 CarbonylContact C-O 3.52Å; L141-R149 VanDerWaalsContact CA-O 3.25Å; L141-R149 WeakPolarHBondContact CA-O 3.29Å; L141-R149 WeakPolarHBondContact CB-O 3.29Å; L141-V172 HydrophobicContact CD2-CG2 4.12Å; L141-L175 HydrophobicContact CB-CD1 4Å; L141-L175 HydrophobicContact CD2-CD1 4.31Å; L141-L175 HydrophobicContact CD2-CD2 3.99Å; L141-S213 WeakPolarHBondContact O-CA 3.49Å; L141-I214 HydrophobicContact CD1-CB 3.84Å; L141-I214 HydrophobicContact CD1-CD1 4.08Å; L141-I214 HydrophobicContact CD1-CG1 4.09Å; L141-I214 HydrophobicContact CG-CB 4Å; L141-I214 PolarHBondContact N-O 3.36Å; L141-I214 PolarHBondContact O-N 2.96Å; L141-L295 HydrophobicContact CD1-CD1 4.19Å; L141-L295 HydrophobicContact CD2-CD1 4.32Å |
| 142 | E | 94.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.7 | 174.1 | -171.6 | -175 | -151.8 | 0 | 0 | 109.6 | R149 L151 R197 S211 H212 | E142-R149 VanDerWaalsContact CD-NH2 3.31Å; E142-R149 PolarHBondContact N-O 3.37Å; E142-R149 PolarHBondContact O-N 2.85Å; E142-R149 IonicContact OE1-NH2 3.79Å; E142-R149 IonicContact OE2-CZ 2.77Å; E142-R149 IonicContact OE2-NE 3.4Å; E142-R149 PolarHBondContact OE2-NE 3.17Å; E142-R149 IonicContact OE2-NH2 3.5Å; E142-R149 PolarHBondContact OE2-NH2 2.89Å; E142-L151 HydrophobicContact CB-CD1 4.02Å; E142-L151 HydrophobicContact CB-CD2 3.94Å; E142-L151 HydrophobicContact CB-CG 3.96Å; E142-R197 WeakPolarHBondContact OE1-CG 3.46Å; E142-R197 IonicContact OE1-NE 3.76Å; E142-S211 WeakPolarHBondContact OE1-CB 3.23Å; E142-S211 PolarHBondContact OE1-OG 3Å; E142-H212 CarbonylContact C-O 3.58Å; E142-H212 VanDerWaalsContact CA-O 3.31Å; E142-H212 WeakPolarHBondContact CA-O 3.47Å |
| 143 | I | 93 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.5 | 168.2 | -47 | 174.4 | 0 | 0 | 0 | 107.8 | L141 D147 V148 S211 H212 I214 L292 L295 | L141-I143 HydrophobicContact CD1-CD1 4.45Å; L141-I143 HydrophobicContact CD1-CG1 3.86Å; I143-D147 WeakPolarHBondContact CA-O 3.34Å; I143-V148 HydrophobicContact CG1-CG2 4.47Å; I143-S211 WeakPolarHBondContact O-CA 3.49Å; I143-H212 HydrophobicContact CB-CB 4.23Å; I143-H212 PolarHBondContact N-O 3.32Å; I143-H212 PolarHBondContact O-N 2.92Å; I143-I214 HydrophobicContact CD1-CD1 4.12Å; I143-L292 HydrophobicContact CD1-CB 4.08Å; I143-L292 HydrophobicContact CD1-CD1 3.94Å; I143-L295 HydrophobicContact CD1-CD1 3.76Å; I143-L295 HydrophobicContact CG1-CD1 4.46Å |
| 144 | Y | 89.3 | Confident | 93.2 | Very high | 23 Ų | 23 | 25.5 Ų | 25.5 | 9% | 0.09 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 124.3 | 177.9 | 174 | -108.6 | 0 | 0 | 0 | 108.9 | E146 D147 T206 R210 E259 | Y144-E146 PolarHBondContact O-N 3.39Å; Y144-D147 PolarHBondContact N-O 3.27Å; Y144-D147 WeakPolarHBondContact O-CB 3.38Å; Y144-D147 PolarHBondContact O-N 2.92Å; Y144-T206 HydrophobicContact CD1-CG2 4.13Å; Y144-T206 HydrophobicContact CD2-CG2 3.95Å; Y144-T206 HydrophobicContact CE1-CG2 3.73Å; Y144-T206 HydrophobicContact CE2-CG2 3.58Å; Y144-T206 HydrophobicContact CG-CG2 4.2Å; Y144-T206 VanDerWaalsContact CZ-CG2 3.43Å; Y144-T206 PolarHBondContact OH-OG1 3.26Å; Y144-R210 HydrophobicContact CD2-CB 4.48Å; Y144-R210 HydrophobicContact CE2-CB 4.13Å; Y144-E259 WeakPolarHBondContact CE2-OE1 3.47Å; Y144-E259 PolarHBondContact OH-OE1 3.37Å |
| 145 | I | 85.1 | Confident | 93 | Very high | 38 Ų | 38 | 29.3 Ų | 29.3 | 20% | 0.195 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 43.6 | -178.1 | -49.2 | -179.9 | 0 | 0 | 0 | 110.8 | D147 E259 K262 | I145-D147 PolarHBondContact O-N 3.35Å; I145-E259 HydrophobicContact CD1-CB 3.9Å; I145-E259 HydrophobicContact CD1-CG 3.6Å; I145-E259 HydrophobicContact CG1-CG 4Å; I145-K262 HydrophobicContact CG2-CB 3.73Å; I145-K262 HydrophobicContact CG2-CD 3.24Å; I145-K262 HydrophobicContact CG2-CG 4.14Å |
| 146 | E | 89.2 | Confident | 92.6 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 2 | -176.7 | -62.3 | -65.1 | 119.6 | 0 | 0 | 116.4 | Y144 L265 S266 S290 K291 | Y144-E146 PolarHBondContact O-N 3.39Å; E146-L265 HydrophobicContact CG-CD2 4.33Å; E146-S266 WeakPolarHBondContact OE1-CB 3.41Å; E146-S290 WeakPolarHBondContact OE2-CA 3.39Å; E146-K291 HydrophobicContact CB-CG 4.48Å; E146-K291 WeakPolarHBondContact O-CG 3.39Å; E146-K291 WeakPolarHBondContact OE2-CG 3.47Å; E146-K291 PolarHBondContact OE2-N 3.47Å |
| 147 | D | 91.2 | Very high | 92 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.5 | 170.4 | -70.3 | -38.4 | 0 | 0 | 0 | 109.7 | I143 Y144 I145 K159 | I143-D147 WeakPolarHBondContact CA-O 3.34Å; Y144-D147 PolarHBondContact N-O 3.27Å; Y144-D147 WeakPolarHBondContact O-CB 3.38Å; Y144-D147 PolarHBondContact O-N 2.92Å; I145-D147 PolarHBondContact O-N 3.35Å; D147-K159 WeakPolarHBondContact OD1-CD 3.43Å; D147-K159 IonicContact OD1-NZ 2.86Å; D147-K159 PolarHBondContact OD1-NZ 3.42Å; D147-K159 WeakPolarHBondContact OD2-CE 3.39Å; D147-K159 IonicContact OD2-NZ 3.93Å; D147-K159 PolarHBondContact OD2-NZ 3.35Å |
| 148 | V | 94 | Very high | 91.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.4 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | L141 I143 L160 I162 V172 K291 | L141-V148 HydrophobicContact CD1-CG1 4.38Å; I143-V148 HydrophobicContact CG1-CG2 4.47Å; V148-L160 HydrophobicContact CB-CB 4.41Å; V148-L160 HydrophobicContact CG1-CB 4.31Å; V148-L160 PolarHBondContact O-N 3.13Å; V148-I162 HydrophobicContact CG2-CD1 4.19Å; V148-I162 HydrophobicContact CG2-CG1 4.24Å; V148-V172 HydrophobicContact CG1-CG1 3.99Å; V148-V172 HydrophobicContact CG1-CG2 4.36Å; V148-K291 HydrophobicContact CG2-CB 4.22Å; V148-K291 HydrophobicContact CG2-CG 4.41Å |
| 149 | R | 93 | Very high | 91.5 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.3 | 178.5 | -64.7 | -174.7 | -65.3 | -95.1 | 9.4 | 111 | L141 E142 T156 | L141-R149 CarbonylContact C-O 3.52Å; L141-R149 VanDerWaalsContact CA-O 3.25Å; L141-R149 WeakPolarHBondContact CA-O 3.29Å; L141-R149 WeakPolarHBondContact CB-O 3.29Å; E142-R149 VanDerWaalsContact CD-NH2 3.31Å; E142-R149 PolarHBondContact N-O 3.37Å; E142-R149 PolarHBondContact O-N 2.85Å; E142-R149 IonicContact OE1-NH2 3.79Å; E142-R149 IonicContact OE2-CZ 2.77Å; E142-R149 IonicContact OE2-NE 3.4Å; E142-R149 PolarHBondContact OE2-NE 3.17Å; E142-R149 IonicContact OE2-NH2 3.5Å; E142-R149 PolarHBondContact OE2-NH2 2.89Å; R149-T156 WeakPolarHBondContact CD-O 3.48Å |
| 150 | D | 95.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119.4 | 173.7 | -178.5 | -4.3 | 0 | 0 | 0 | 110.5 | L152 G153 L160 L175 S176 | D150-L152 WeakPolarHBondContact OD1-CA 3.33Å; D150-L152 PolarHBondContact OD1-N 2.97Å; D150-G153 PolarHBondContact OD1-N 2.98Å; D150-G153 WeakPolarHBondContact OD2-CA 3.39Å; D150-G153 PolarHBondContact OD2-N 2.88Å; D150-L160 HydrophobicContact CB-CD1 3.76Å; D150-L175 HydrophobicContact CB-CD1 4.06Å; D150-S176 VanDerWaalsContact CG-OG 3.3Å; D150-S176 PolarHBondContact OD1-OG 3.27Å; D150-S176 WeakPolarHBondContact OD2-CA 3.49Å; D150-S176 WeakPolarHBondContact OD2-CB 3.25Å; D150-S176 PolarHBondContact OD2-N 2.91Å; D150-S176 PolarHBondContact OD2-OG 2.86Å |
| 151 | L | 94.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -81.4 | -14.9 | -179.8 | -65.3 | 175.9 | 0 | 0 | 0 | 112.9 | Y140 E142 N196 R197 | Y140-L151 HydrophobicContact CD1-CB 4.17Å; Y140-L151 HydrophobicContact CD1-CD1 3.83Å; Y140-L151 HydrophobicContact CD2-CD1 3.83Å; Y140-L151 HydrophobicContact CE1-CD1 3.71Å; Y140-L151 HydrophobicContact CE2-CD1 3.76Å; Y140-L151 HydrophobicContact CG-CB 4.21Å; Y140-L151 HydrophobicContact CG-CD1 3.86Å; Y140-L151 WeakPolarHBondContact O-CB 3.46Å; Y140-L151 PolarHBondContact O-N 3.49Å; E142-L151 HydrophobicContact CB-CD1 4.02Å; E142-L151 HydrophobicContact CB-CD2 3.94Å; E142-L151 HydrophobicContact CB-CG 3.96Å; L151-N196 HydrophobicContact CD2-CB 4.38Å; L151-N196 PolarHBondContact O-ND2 3.47Å; L151-R197 HydrophobicContact CD1-CB 4.25Å; L151-R197 HydrophobicContact CD2-CB 4Å |
| 152 | L | 95.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -106.4 | -13.1 | 178.7 | -53.8 | 179.8 | 0 | 0 | 0 | 113.1 | D150 H178 L189 K192 | D150-L152 WeakPolarHBondContact OD1-CA 3.33Å; D150-L152 PolarHBondContact OD1-N 2.97Å; L152-H178 WeakPolarHBondContact CB-NE2 3.29Å; L152-L189 HydrophobicContact CD1-CB 4.37Å; L152-L189 HydrophobicContact CD1-CD2 4.36Å; L152-L189 HydrophobicContact CD2-CB 4.25Å; L152-L189 HydrophobicContact CD2-CD2 4.35Å; L152-L189 VanDerWaalsContact CD2-O 3.22Å; L152-L189 WeakPolarHBondContact CD2-O 3.33Å; L152-K192 PolarHBondContact O-NZ 3.04Å |
| 153 | G | 89.8 | Confident | 91.1 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 13% | 0.134 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -60.6 | 169.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | D150 S176 | D150-G153 PolarHBondContact OD1-N 2.98Å; D150-G153 WeakPolarHBondContact OD2-CA 3.39Å; D150-G153 PolarHBondContact OD2-N 2.88Å; G153-S176 PolarHBondContact N-OG 2.97Å |
| 154 | R | 87.6 | Confident | 91 | Very high | 266 Ų | 266 | 64.2 Ų | 64.2 | 100% | 1.004 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -71.5 | -41.5 | 176.9 | -62.7 | -179.7 | -176.6 | -178.9 | 0.4 | 111.4 | ||
| 155 | D | 88.1 | Confident | 90.8 | Very high | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | trans | -111.9 | 102.5 | 174.7 | -177.3 | 6.7 | 0 | 0 | 0 | 109.6 | K157 Q158 | D155-K157 PolarHBondContact O-N 2.82Å; D155-K157 WeakPolarHBondContact OD1-CB 3.31Å; D155-K157 PolarHBondContact OD1-N 3.41Å; D155-Q158 HydrophobicContact CB-CB 4.2Å; D155-Q158 PolarHBondContact O-N 3.05Å | ||
| 156 | T | 85.9 | Confident | 90.5 | Very high | 46 Ų | 46 | 74.7 Ų | 74.7 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -9.3 | 178.9 | 54.7 | 0 | 0 | 0 | 0 | 113 | R149 N196 | R149-T156 WeakPolarHBondContact CD-O 3.48Å; T156-N196 HydrophobicContact CG2-CB 4.07Å |
| 157 | K | 83.8 | Confident | 90 | Very high | 154 Ų | 154 | 80.7 Ų | 80.7 | 67% | 0.67 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -13.5 | 177.7 | -61 | -178.8 | 179.7 | 179.5 | 0 | 112.5 | D155 K159 | D155-K157 PolarHBondContact O-N 2.82Å; D155-K157 WeakPolarHBondContact OD1-CB 3.31Å; D155-K157 PolarHBondContact OD1-N 3.41Å; K157-K159 PolarHBondContact O-N 2.97Å |
| 158 | Q | 89.5 | Confident | 89.3 | Confident | 108 Ų | 108 | 87.2 Ų | 87.2 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 128.9 | 178.5 | -171.9 | 178.4 | 26.5 | 0 | 0 | 110.6 | D155 L160 | D155-Q158 HydrophobicContact CB-CB 4.2Å; D155-Q158 PolarHBondContact O-N 3.05Å; Q158-L160 HydrophobicContact CG-CD2 4.21Å |
| 159 | K | 91.9 | Very high | 88.8 | Confident | 132 Ų | 132 | 88.6 Ų | 88.6 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 124.4 | 172.9 | -60.4 | -175.6 | 178.2 | -150.6 | 0 | 109.4 | D147 K157 | D147-K159 WeakPolarHBondContact OD1-CD 3.43Å; D147-K159 IonicContact OD1-NZ 2.86Å; D147-K159 PolarHBondContact OD1-NZ 3.42Å; D147-K159 WeakPolarHBondContact OD2-CE 3.39Å; D147-K159 IonicContact OD2-NZ 3.93Å; D147-K159 PolarHBondContact OD2-NZ 3.35Å; K157-K159 PolarHBondContact O-N 2.97Å |
| 160 | L | 94.4 | Very high | 88.7 | Confident | 18 Ų | 18 | 88.7 Ų | 88.7 | 9% | 0.094 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -99.6 | 150.5 | 178.7 | -58.5 | -175.7 | 0 | 0 | 0 | 111.6 | V148 D150 Q158 V172 L175 | V148-L160 HydrophobicContact CB-CB 4.41Å; V148-L160 HydrophobicContact CG1-CB 4.31Å; V148-L160 PolarHBondContact O-N 3.13Å; D150-L160 HydrophobicContact CB-CD1 3.76Å; Q158-L160 HydrophobicContact CG-CD2 4.21Å; L160-V172 HydrophobicContact CB-CG1 3.59Å; L160-V172 HydrophobicContact CD1-CG1 3.8Å; L160-V172 HydrophobicContact CG-CG1 4.36Å; L160-L175 HydrophobicContact CD1-CB 4.33Å; L160-L175 HydrophobicContact CD1-CD1 4.3Å |
| 161 | E | 93.9 | Very high | 88.5 | Confident | 136 Ų | 136 | 92.5 Ų | 92.5 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143 | 179.6 | -67.4 | -171.2 | 162 | 0 | 0 | 112.1 | A173 | E161-A173 PolarHBondContact O-N 2.78Å |
| 162 | I | 94.4 | Very high | 88.5 | Confident | 13 Ų | 13 | 93.1 Ų | 93.1 | 7% | 0.067 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.2 | 174.3 | -56.4 | -176.9 | 0 | 0 | 0 | 109.6 | V148 V170 V172 K291 R294 L295 | V148-I162 HydrophobicContact CG2-CD1 4.19Å; V148-I162 HydrophobicContact CG2-CG1 4.24Å; I162-V170 HydrophobicContact CG2-CG1 3.31Å; I162-V172 HydrophobicContact CG1-CG2 4.39Å; I162-K291 HydrophobicContact CD1-CB 3.7Å; I162-K291 HydrophobicContact CD1-CD 3.8Å; I162-K291 HydrophobicContact CD1-CG 4.19Å; I162-K291 WeakPolarHBondContact CD1-O 3.48Å; I162-K291 HydrophobicContact CG1-CD 4.35Å; I162-R294 HydrophobicContact CD1-CB 4.37Å; I162-L295 HydrophobicContact CD1-CD1 4.18Å; I162-L295 HydrophobicContact CD1-CD2 3.76Å; I162-L295 HydrophobicContact CD1-CG 3.69Å; I162-L295 HydrophobicContact CG1-CD2 4.17Å; I162-L295 HydrophobicContact CG2-CD2 4.32Å |
| 163 | K | 93 | Very high | 88.3 | Confident | 97 Ų | 97 | 94.2 Ų | 94.2 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 161.4 | 176.6 | -63.9 | -171.1 | -177.5 | -179 | 0 | 110.9 | Y171 A173 | K163-Y171 HydrophobicContact CB-CD1 4.4Å; K163-Y171 HydrophobicContact CB-CE1 3.73Å; K163-Y171 HydrophobicContact CB-CE2 4.19Å; K163-Y171 PolarHBondContact N-O 3.34Å; K163-Y171 WeakPolarHBondContact O-CD1 3.41Å; K163-Y171 PolarHBondContact O-N 3.49Å; K163-Y171 VanDerWaalsContact O-O 3.06Å; K163-A173 HydrophobicContact CD-CB 3.89Å; K163-A173 HydrophobicContact CG-CB 4.17Å |
| 164 | E | 90.5 | Very high | 88.4 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 43% | 0.425 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.4 | 178.8 | -75.4 | 166 | -151.5 | 0 | 0 | 108.5 | V170 R288 R294 | E164-V170 HydrophobicContact CG-CG2 4.12Å; E164-R288 IonicContact OE1-NH2 2.97Å; E164-R288 IonicContact OE2-NH2 3.7Å; E164-R288 PolarHBondContact OE2-NH2 3.11Å; E164-R294 IonicContact OE1-CZ 3.22Å; E164-R294 IonicContact OE1-NE 3.62Å; E164-R294 IonicContact OE1-NH2 3.67Å; E164-R294 PolarHBondContact OE1-NH2 2.87Å |
| 165 | H | 85.2 | Confident | 88.7 | Confident | 82 Ų | 82 | 85.6 Ų | 85.6 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.9 | 172.9 | -171 | -81.3 | 0 | 0 | 0 | 109.2 | E167 R168 G169 Y171 | H165-E167 PolarHBondContact ND1-N 3.44Å; H165-E167 PolarHBondContact O-N 2.78Å; H165-R168 HydrophobicContact CB-CB 4.18Å; H165-R168 PolarHBondContact ND1-N 2.85Å; H165-G169 PolarHBondContact N-O 3.07Å; H165-G169 VanDerWaalsContact O-CA 3.3Å; H165-G169 WeakPolarHBondContact O-CA 3.31Å; H165-G169 PolarHBondContact O-N 3.24Å; H165-Y171 HydrophobicContact CB-CD1 4.04Å; H165-Y171 HydrophobicContact CB-CE1 3.69Å |
| 166 | Q | 80.5 | Confident | 89 | Confident | 200 Ų | 200 | 83 Ų | 83 | 94% | 0.935 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -45.9 | -177.3 | -69.5 | 179 | -19 | 0 | 0 | 112.4 | ||
| 167 | E | 77.4 | Confident | 89.4 | Confident | 163 Ų | 163 | 84.6 Ų | 84.6 | 76% | 0.762 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -52.3 | 179.4 | -60.3 | 178.7 | 164.4 | 0 | 0 | 114.3 | H165 G169 | H165-E167 PolarHBondContact ND1-N 3.44Å; H165-E167 PolarHBondContact O-N 2.78Å; E167-G169 VanDerWaalsContact C-N 3.28Å; E167-G169 PolarHBondContact O-N 2.99Å |
| 168 | R | 76.7 | Confident | 90 | Very high | 185 Ų | 185 | 79.6 Ų | 79.6 | 70% | 0.698 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15.2 | -174.9 | -64.3 | -177 | 179.1 | -176.5 | -1.8 | 114.3 | H165 K235 | H165-R168 HydrophobicContact CB-CB 4.18Å; H165-R168 PolarHBondContact ND1-N 2.85Å; R168-K235 PolarHBondContact O-NZ 2.9Å |
| 169 | G | 84.3 | Confident | 90.2 | Very high | 32 Ų | 32 | 76.6 Ų | 76.6 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.3 | -148.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H165 E167 | H165-G169 PolarHBondContact N-O 3.07Å; H165-G169 VanDerWaalsContact O-CA 3.3Å; H165-G169 WeakPolarHBondContact O-CA 3.31Å; H165-G169 PolarHBondContact O-N 3.24Å; E167-G169 VanDerWaalsContact C-N 3.28Å; E167-G169 PolarHBondContact O-N 2.99Å |
| 170 | V | 90.5 | Very high | 90.4 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 20% | 0.2 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.9 | 177.3 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | I162 E164 R294 L295 | I162-V170 HydrophobicContact CG2-CG1 3.31Å; E164-V170 HydrophobicContact CG-CG2 4.12Å; V170-R294 WeakPolarHBondContact CG1-O 3.42Å; V170-L295 HydrophobicContact CG1-CD2 4.41Å |
| 171 | Y | 91.6 | Very high | 90.2 | Very high | 87 Ų | 87 | 72.5 Ų | 72.5 | 34% | 0.341 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158.5 | 177.7 | 71.9 | -78.3 | 0 | 0 | 0 | 111.7 | K163 H165 A173 | K163-Y171 HydrophobicContact CB-CD1 4.4Å; K163-Y171 HydrophobicContact CB-CE1 3.73Å; K163-Y171 HydrophobicContact CB-CE2 4.19Å; K163-Y171 PolarHBondContact N-O 3.34Å; K163-Y171 WeakPolarHBondContact O-CD1 3.41Å; K163-Y171 PolarHBondContact O-N 3.49Å; K163-Y171 VanDerWaalsContact O-O 3.06Å; H165-Y171 HydrophobicContact CB-CD1 4.04Å; H165-Y171 HydrophobicContact CB-CE1 3.69Å; Y171-A173 HydrophobicContact CE2-CB 4.5Å |
| 172 | V | 94.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 69 Ų | 69 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.8 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 109 | L141 V148 L160 I162 L175 L295 | L141-V172 HydrophobicContact CD2-CG2 4.12Å; V148-V172 HydrophobicContact CG1-CG1 3.99Å; V148-V172 HydrophobicContact CG1-CG2 4.36Å; L160-V172 HydrophobicContact CB-CG1 3.59Å; L160-V172 HydrophobicContact CD1-CG1 3.8Å; L160-V172 HydrophobicContact CG-CG1 4.36Å; I162-V172 HydrophobicContact CG1-CG2 4.39Å; V172-L175 HydrophobicContact CB-CB 3.98Å; V172-L175 HydrophobicContact CB-CD2 4.23Å; V172-L175 HydrophobicContact CG1-CB 4.07Å; V172-L295 HydrophobicContact CG2-CD1 4.37Å; V172-L295 HydrophobicContact CG2-CD2 3.56Å |
| 173 | A | 91.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 70 Ų | 70 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | E161 K163 Y171 L175 | E161-A173 PolarHBondContact O-N 2.78Å; K163-A173 HydrophobicContact CD-CB 3.89Å; K163-A173 HydrophobicContact CG-CB 4.17Å; Y171-A173 HydrophobicContact CE2-CB 4.5Å; A173-L175 VanDerWaalsContact C-N 3.31Å |
| 174 | G | 91 | Very high | 90.3 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 5.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S176 | G174-S176 PolarHBondContact O-N 2.9Š|
| 175 | L | 94.4 | Very high | 90.6 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | trans | -64.5 | 125.5 | 173.5 | -177.1 | 65.1 | 0 | 0 | 0 | 110.1 | L141 D150 L160 V172 A173 | L141-L175 HydrophobicContact CB-CD1 4Å; L141-L175 HydrophobicContact CD2-CD1 4.31Å; L141-L175 HydrophobicContact CD2-CD2 3.99Å; D150-L175 HydrophobicContact CB-CD1 4.06Å; L160-L175 HydrophobicContact CD1-CB 4.33Å; L160-L175 HydrophobicContact CD1-CD1 4.3Å; V172-L175 HydrophobicContact CB-CB 3.98Å; V172-L175 HydrophobicContact CB-CD2 4.23Å; V172-L175 HydrophobicContact CG1-CB 4.07Å; A173-L175 VanDerWaalsContact C-N 3.31Å | ||
| 176 | S | 94.6 | Very high | 91.1 | Very high | 28 Ų | 28 | 64 Ų | 64 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | -71 | 137.4 | 177.5 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | S139 D150 G153 G174 H178 | S139-S176 WeakPolarHBondContact CB-O 3.31Å; D150-S176 VanDerWaalsContact CG-OG 3.3Å; D150-S176 PolarHBondContact OD1-OG 3.27Å; D150-S176 WeakPolarHBondContact OD2-CA 3.49Å; D150-S176 WeakPolarHBondContact OD2-CB 3.25Å; D150-S176 PolarHBondContact OD2-N 2.91Å; D150-S176 PolarHBondContact OD2-OG 2.86Å; G153-S176 PolarHBondContact N-OG 2.97Å; G174-S176 PolarHBondContact O-N 2.9Å; S176-H178 WeakPolarHBondContact CB-NE2 3.4Å; S176-H178 PolarHBondContact OG-NE2 2.67Å | ||
| 177 | M | 94.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | trans | -117 | 123.3 | 178.1 | -63 | -65 | -67.2 | 0 | 0 | 107.7 | C137 H218 | C137-M177 HydrophobicContact CB-CE 3.59Å; M177-H218 HydrophobicContact CE-CB 3.94Å; M177-H218 WeakPolarHBondContact CE-CD2 3.3Å; M177-H218 VanDerWaalsContact CE-CG 3.43Å | ||
| 178 | H | 95.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.1 | -176.6 | -61.9 | -95 | 0 | 0 | 0 | 109.1 | C137 A138 L152 S176 L189 | C137-H178 CarbonylContact C-O 3.16Å; C137-H178 WeakPolarHBondContact CA-O 3.39Å; A138-H178 PolarHBondContact N-O 3.02Å; A138-H178 PolarHBondContact O-N 2.91Å; L152-H178 WeakPolarHBondContact CB-NE2 3.29Å; S176-H178 WeakPolarHBondContact CB-NE2 3.4Å; S176-H178 PolarHBondContact OG-NE2 2.67Å; H178-L189 HydrophobicContact CB-CD1 3.71Å; H178-L189 HydrophobicContact CB-CD2 4.25Å |
| 179 | P | 94.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 140.4 | 171.3 | -22.2 | 33.5 | 0 | 0 | 0 | 110.8 | I136 Q467 | I136-P179 WeakPolarHBondContact O-CA 3.45Å; P179-Q467 HydrophobicContact CB-CG 4.29Å |
| 180 | V | 95 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | trans | -135.1 | 131.2 | -177.7 | -71.2 | 0 | 0 | 0 | 0 | 111 | F123 I136 A138 E185 C186 L189 | F123-V180 HydrophobicContact CZ-CB 4.36Å; F123-V180 HydrophobicContact CZ-CG2 4.15Å; I136-V180 HydrophobicContact CB-CG2 3.8Å; I136-V180 HydrophobicContact CG2-CG2 3.56Å; I136-V180 WeakPolarHBondContact O-CG2 3.08Å; I136-V180 PolarHBondContact O-N 3.37Å; A138-V180 HydrophobicContact CB-CG1 4.16Å; A138-V180 HydrophobicContact CB-CG2 4.45Å; V180-E185 HydrophobicContact CB-CB 4.5Å; V180-E185 HydrophobicContact CG1-CB 4.33Å; V180-C186 VanDerWaalsContact CG2-SG 3.54Å; V180-L189 HydrophobicContact CG1-CD1 3.42Å; V180-L189 VanDerWaalsContact CG1-CD1 3.42Å | ||
| 181 | H | 91.9 | Very high | 94.3 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | trans | -108.7 | -21.5 | -172.8 | -47.3 | 83.5 | 0 | 0 | 0 | 112.9 | F123 E185 Q467 I469 | F123-H181 VanDerWaalsContact CE1-O 3.23Å; F123-H181 WeakPolarHBondContact CE1-O 3.07Å; H181-E185 IonicContact CE1-OE2 3.76Å; H181-E185 IonicContact CG-OE2 2.67Å; H181-E185 PolarHBondContact N-OE2 2.9Å; H181-E185 IonicContact ND1-OE1 3.35Å; H181-E185 IonicContact ND1-OE2 2.81Å; H181-E185 PolarHBondContact ND1-OE2 3.33Å; H181-Q467 WeakPolarHBondContact NE2-CA 3.36Å; H181-I469 HydrophobicContact CB-CG2 4.22Å | ||
| 182 | N | 92.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -148.4 | 166.4 | -177.2 | 57.1 | 69.9 | 0 | 0 | 0 | 111.9 | N184 E185 C186 | N182-N184 VanDerWaalsContact C-N 3.28Å; N182-N184 PolarHBondContact O-N 3.4Å; N182-N184 WeakPolarHBondContact OD1-CB 3.37Å; N182-N184 PolarHBondContact OD1-N 2.76Å; N182-E185 PolarHBondContact ND2-OE1 2.75Å; N182-E185 PolarHBondContact O-N 2.86Å; N182-E185 PolarHBondContact OD1-N 3.22Å; N182-C186 PolarHBondContact O-N 3.02Å |
| 183 | V | 94.8 | Very high | 94.4 | Very high | 34 Ų | 34 | 47 Ų | 47 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.9 | -41 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | F119 E120 F123 E185 C186 E187 | F119-V183 HydrophobicContact CB-CG1 4.08Å; E120-V183 HydrophobicContact CG-CG1 4.07Å; F123-V183 HydrophobicContact CB-CG2 3.8Å; F123-V183 HydrophobicContact CD2-CB 4.43Å; F123-V183 HydrophobicContact CD2-CG2 3.7Å; F123-V183 HydrophobicContact CG-CG2 4.06Å; V183-E185 PolarHBondContact O-N 2.93Å; V183-C186 WeakPolarHBondContact O-CB 3.33Å; V183-C186 PolarHBondContact O-N 3.38Å; V183-E187 HydrophobicContact CG1-CG 4.28Å; V183-E187 WeakPolarHBondContact O-CG 3.43Å; V183-E187 PolarHBondContact O-N 3.39Å |
| 184 | N | 95.5 | Very high | 94.3 | Very high | 85 Ų | 85 | 48.1 Ų | 48.1 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | -176.7 | -177.3 | 40.7 | 0 | 0 | 0 | 112.2 | N182 E187 K188 | N182-N184 VanDerWaalsContact C-N 3.28Å; N182-N184 PolarHBondContact O-N 3.4Å; N182-N184 WeakPolarHBondContact OD1-CB 3.37Å; N182-N184 PolarHBondContact OD1-N 2.76Å; N184-E187 PolarHBondContact O-N 2.95Å; N184-K188 WeakPolarHBondContact ND2-CE 3.09Å; N184-K188 PolarHBondContact ND2-NZ 2.89Å; N184-K188 WeakPolarHBondContact O-CB 3.24Å; N184-K188 VanDerWaalsContact O-CG 3.24Å; N184-K188 WeakPolarHBondContact O-CG 3.47Å; N184-K188 PolarHBondContact O-N 3.4Å |
| 185 | E | 95.7 | Very high | 94.3 | Very high | 59 Ų | 59 | 53.2 Ų | 53.2 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 172.2 | -78.1 | 169.1 | -153.9 | 0 | 0 | 111.8 | V180 H181 N182 V183 E187 K188 L189 | V180-E185 HydrophobicContact CB-CB 4.5Å; V180-E185 HydrophobicContact CG1-CB 4.33Å; H181-E185 IonicContact CE1-OE2 3.76Å; H181-E185 IonicContact CG-OE2 2.67Å; H181-E185 PolarHBondContact N-OE2 2.9Å; H181-E185 IonicContact ND1-OE1 3.35Å; H181-E185 IonicContact ND1-OE2 2.81Å; H181-E185 PolarHBondContact ND1-OE2 3.33Å; N182-E185 PolarHBondContact ND2-OE1 2.75Å; N182-E185 PolarHBondContact O-N 2.86Å; N182-E185 PolarHBondContact OD1-N 3.22Å; V183-E185 PolarHBondContact O-N 2.93Å; E185-E187 PolarHBondContact O-N 3.22Å; E185-K188 PolarHBondContact O-N 2.94Å; E185-L189 WeakPolarHBondContact O-CG 3.45Å; E185-L189 PolarHBondContact O-N 3.29Å |
| 186 | C | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 174 | -75 | 0 | 0 | 0 | 0 | 112.3 | F119 V180 N182 V183 K188 L189 L190 | F119-C186 HydrophobicContact CB-CB 4.3Å; F119-C186 HydrophobicContact CD1-CB 4.13Å; F119-C186 HydrophobicContact CD2-CB 3.52Å; F119-C186 HydrophobicContact CE1-CB 4.33Å; F119-C186 HydrophobicContact CE2-CB 3.74Å; F119-C186 HydrophobicContact CG-CB 3.73Å; F119-C186 HydrophobicContact CZ-CB 4.14Å; V180-C186 VanDerWaalsContact CG2-SG 3.54Å; N182-C186 PolarHBondContact O-N 3.02Å; V183-C186 WeakPolarHBondContact O-CB 3.33Å; V183-C186 PolarHBondContact O-N 3.38Å; C186-K188 PolarHBondContact O-N 3.47Å; C186-L189 PolarHBondContact O-N 3.07Å; C186-L190 WeakPolarHBondContact O-CB 3.36Å; C186-L190 PolarHBondContact O-N 3.21Å |
| 187 | E | 95 | Very high | 93.8 | Very high | 59 Ų | 59 | 53 Ų | 53 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 177.3 | -72.7 | -177.5 | 163.2 | 0 | 0 | 111.5 | K112 F119 V183 N184 E185 L189 L190 Q191 | K112-E187 IonicContact NZ-OE1 3.86Å; K112-E187 PolarHBondContact NZ-OE1 3.37Å; F119-E187 HydrophobicContact CD2-CG 4.17Å; V183-E187 HydrophobicContact CG1-CG 4.28Å; V183-E187 WeakPolarHBondContact O-CG 3.43Å; V183-E187 PolarHBondContact O-N 3.39Å; N184-E187 PolarHBondContact O-N 2.95Å; E185-E187 PolarHBondContact O-N 3.22Å; E187-L189 PolarHBondContact O-N 2.87Å; E187-L190 PolarHBondContact O-N 3.4Å; E187-Q191 WeakPolarHBondContact O-CB 3.33Å; E187-Q191 VanDerWaalsContact O-CG 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.34Å; E187-Q191 PolarHBondContact O-N 2.85Å |
| 188 | K | 96.3 | Very high | 93.1 | Very high | 126 Ų | 126 | 51.9 Ų | 51.9 | 55% | 0.548 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.3 | -75.8 | 169.8 | -176.3 | 173.1 | 0 | 112.3 | N184 E185 C186 Q191 K192 | N184-K188 WeakPolarHBondContact ND2-CE 3.09Å; N184-K188 PolarHBondContact ND2-NZ 2.89Å; N184-K188 WeakPolarHBondContact O-CB 3.24Å; N184-K188 VanDerWaalsContact O-CG 3.24Å; N184-K188 WeakPolarHBondContact O-CG 3.47Å; N184-K188 PolarHBondContact O-N 3.4Å; E185-K188 PolarHBondContact O-N 2.94Å; C186-K188 PolarHBondContact O-N 3.47Å; K188-Q191 PolarHBondContact O-N 2.82Å; K188-K192 VanDerWaalsContact O-CB 3.29Å; K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 2.89Å |
| 189 | L | 96.7 | Very high | 91.9 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 176.3 | -69.8 | 177.8 | 0 | 0 | 0 | 111.4 | A138 L152 H178 V180 E185 C186 E187 K192 G193 | A138-L189 HydrophobicContact CB-CD1 3.92Å; L152-L189 HydrophobicContact CD1-CB 4.37Å; L152-L189 HydrophobicContact CD1-CD2 4.36Å; L152-L189 HydrophobicContact CD2-CB 4.25Å; L152-L189 HydrophobicContact CD2-CD2 4.35Å; L152-L189 VanDerWaalsContact CD2-O 3.22Å; L152-L189 WeakPolarHBondContact CD2-O 3.33Å; H178-L189 HydrophobicContact CB-CD1 3.71Å; H178-L189 HydrophobicContact CB-CD2 4.25Å; V180-L189 HydrophobicContact CG1-CD1 3.42Å; V180-L189 VanDerWaalsContact CG1-CD1 3.42Å; E185-L189 WeakPolarHBondContact O-CG 3.45Å; E185-L189 PolarHBondContact O-N 3.29Å; C186-L189 PolarHBondContact O-N 3.07Å; E187-L189 PolarHBondContact O-N 2.87Å; L189-K192 PolarHBondContact O-N 2.84Å; L189-G193 PolarHBondContact O-N 2.83Å |
| 190 | L | 95.4 | Very high | 90.3 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -51.6 | 175.2 | 180 | 64.7 | 0 | 0 | 0 | 110.8 | V115 F119 Y140 C186 E187 K192 G193 M194 F215 | V115-L190 HydrophobicContact CG1-CD1 4.09Å; V115-L190 HydrophobicContact CG1-CD2 3.86Å; F119-L190 HydrophobicContact CE2-CB 4.28Å; F119-L190 HydrophobicContact CE2-CD2 4.06Å; Y140-L190 HydrophobicContact CE1-CD1 4.22Å; C186-L190 WeakPolarHBondContact O-CB 3.36Å; C186-L190 PolarHBondContact O-N 3.21Å; E187-L190 PolarHBondContact O-N 3.4Å; L190-K192 PolarHBondContact O-N 3.01Å; L190-G193 PolarHBondContact O-N 3.44Å; L190-M194 HydrophobicContact CD1-CG 4.43Å; L190-M194 HydrophobicContact CD1-SD 4.28Å; L190-M194 HydrophobicContact CG-SD 3.99Å; L190-M194 WeakPolarHBondContact O-CB 3.29Å; L190-M194 VanDerWaalsContact O-CG 3.28Å; L190-M194 WeakPolarHBondContact O-CG 3.32Å; L190-M194 PolarHBondContact O-N 3.22Å; L190-F215 HydrophobicContact CB-CE2 4.42Å; L190-F215 HydrophobicContact CD1-CD2 4.12Å; L190-F215 HydrophobicContact CD1-CE2 4.39Å |
| 191 | Q | 94.1 | Very high | 88.4 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 179.2 | -70.4 | -67.4 | -14.2 | 0 | 0 | 112.3 | E187 K188 M194 R195 | E187-Q191 WeakPolarHBondContact O-CB 3.33Å; E187-Q191 VanDerWaalsContact O-CG 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.34Å; E187-Q191 PolarHBondContact O-N 2.85Å; K188-Q191 PolarHBondContact O-N 2.82Å; Q191-M194 PolarHBondContact O-N 3.16Å; Q191-R195 VanDerWaalsContact O-CG 3.29Å; Q191-R195 WeakPolarHBondContact O-CG 3.35Å; Q191-R195 PolarHBondContact O-N 3.08Å |
| 192 | K | 94.4 | Very high | 86.6 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.4 | -50.2 | 173.4 | -179.8 | -174.1 | 174.8 | -165.5 | 0 | 110.8 | L152 K188 L189 L190 M194 R195 N196 | L152-K192 PolarHBondContact O-NZ 3.04Å; K188-K192 VanDerWaalsContact O-CB 3.29Å; K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 2.89Å; L189-K192 PolarHBondContact O-N 2.84Å; L190-K192 PolarHBondContact O-N 3.01Å; K192-M194 PolarHBondContact O-N 2.94Å; K192-R195 PolarHBondContact O-N 3.15Å; K192-N196 VanDerWaalsContact O-CG 3.32Å; K192-N196 PolarHBondContact O-N 3.32Å |
| 193 | G | 93.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | L189 L190 N196 R197 | L189-G193 PolarHBondContact O-N 2.83Å; L190-G193 PolarHBondContact O-N 3.44Å; G193-N196 PolarHBondContact O-N 2.8Å; G193-R197 WeakPolarHBondContact O-CB 3.42Å; G193-R197 PolarHBondContact O-N 2.74Å |
| 194 | M | 91 | Very high | 82.1 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174 | -74.4 | 176.5 | 64.9 | 0 | 0 | 112.1 | Q103 Y140 L190 Q191 K192 N196 R197 A198 | Q103-M194 HydrophobicContact CG-SD 4.44Å; Y140-M194 HydrophobicContact CE1-CG 4.46Å; L190-M194 HydrophobicContact CD1-CG 4.43Å; L190-M194 HydrophobicContact CD1-SD 4.28Å; L190-M194 HydrophobicContact CG-SD 3.99Å; L190-M194 WeakPolarHBondContact O-CB 3.29Å; L190-M194 VanDerWaalsContact O-CG 3.28Å; L190-M194 WeakPolarHBondContact O-CG 3.32Å; L190-M194 PolarHBondContact O-N 3.22Å; Q191-M194 PolarHBondContact O-N 3.16Å; K192-M194 PolarHBondContact O-N 2.94Å; M194-N196 VanDerWaalsContact C-N 3.34Å; M194-R197 PolarHBondContact O-N 3.25Å; M194-A198 WeakPolarHBondContact O-CB 3.47Å; M194-A198 PolarHBondContact O-N 2.73Å |
| 195 | R | 90.1 | Very high | 80.1 | Confident | 171 Ų | 171 | 66.1 Ų | 66.1 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 174.6 | -70.7 | 172.1 | -168.9 | 176 | 3.3 | 111.7 | Q191 K192 A198 T199 | Q191-R195 VanDerWaalsContact O-CG 3.29Å; Q191-R195 WeakPolarHBondContact O-CG 3.35Å; Q191-R195 PolarHBondContact O-N 3.08Å; K192-R195 PolarHBondContact O-N 3.15Å; R195-A198 PolarHBondContact O-N 3.04Å; R195-T199 WeakPolarHBondContact O-CB 3.36Å; R195-T199 PolarHBondContact O-N 3.31Å; R195-T199 PolarHBondContact O-OG1 3.25Å |
| 196 | N | 90.5 | Very high | 78.2 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.4 | -72.7 | -15.2 | 0 | 0 | 0 | 111.7 | L151 T156 K192 G193 M194 T199 A200 | L151-N196 HydrophobicContact CD2-CB 4.38Å; L151-N196 PolarHBondContact O-ND2 3.47Å; T156-N196 HydrophobicContact CG2-CB 4.07Å; K192-N196 VanDerWaalsContact O-CG 3.32Å; K192-N196 PolarHBondContact O-N 3.32Å; G193-N196 PolarHBondContact O-N 2.8Å; M194-N196 VanDerWaalsContact C-N 3.34Å; N196-T199 PolarHBondContact O-N 3.37Å; N196-A200 PolarHBondContact O-N 2.91Å; N196-A200 VanDerWaalsContact O-N 3.14Å |
| 197 | R | 89 | Confident | 77 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 172.9 | -172.2 | -179.1 | -179 | -166.1 | 0.6 | 111.8 | E142 L151 G193 M194 A200 S208 S211 S213 D240 | E142-R197 WeakPolarHBondContact OE1-CG 3.46Å; E142-R197 IonicContact OE1-NE 3.76Å; L151-R197 HydrophobicContact CD1-CB 4.25Å; L151-R197 HydrophobicContact CD2-CB 4Å; G193-R197 WeakPolarHBondContact O-CB 3.42Å; G193-R197 PolarHBondContact O-N 2.74Å; M194-R197 PolarHBondContact O-N 3.25Å; R197-A200 PolarHBondContact O-N 3.12Å; R197-S208 PolarHBondContact NH2-O 3.22Å; R197-S211 PolarHBondContact NE-OG 3.37Å; R197-S211 PolarHBondContact NH2-O 3.16Å; R197-S211 PolarHBondContact NH2-OG 3.37Å; R197-S213 PolarHBondContact NH1-OG 3.12Å; R197-S213 VanDerWaalsContact NH1-OG 3.15Å; R197-D240 IonicContact NH1-OD2 2.84Å |
| 198 | A | 79 | Confident | 76.2 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.8 | -34.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | M194 R195 A200 A201 | M194-A198 WeakPolarHBondContact O-CB 3.47Å; M194-A198 PolarHBondContact O-N 2.73Å; R195-A198 PolarHBondContact O-N 3.04Å; A198-A200 VanDerWaalsContact C-N 3.33Å; A198-A201 WeakPolarHBondContact O-CA 3.34Å; A198-A201 WeakPolarHBondContact O-CB 3.3Å; A198-A201 PolarHBondContact O-N 3.17Å |
| 199 | T | 70.1 | Confident | 75.6 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.1 | -30.7 | 178.4 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | R195 N196 A201 T202 | R195-T199 WeakPolarHBondContact O-CB 3.36Å; R195-T199 PolarHBondContact O-N 3.31Å; R195-T199 PolarHBondContact O-OG1 3.25Å; N196-T199 PolarHBondContact O-N 3.37Å; T199-A201 PolarHBondContact O-N 3.28Å; T199-T202 PolarHBondContact O-N 2.88Å; T199-T202 PolarHBondContact O-OG1 3.24Å |
| 200 | A | 60.3 | Low | 75 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.9 | -30.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N196 R197 A198 T206 | N196-A200 PolarHBondContact O-N 2.91Å; N196-A200 VanDerWaalsContact O-N 3.14Å; R197-A200 PolarHBondContact O-N 3.12Å; A198-A200 VanDerWaalsContact C-N 3.33Å; A200-T206 WeakPolarHBondContact O-CB 3.17Å |
| 201 | A | 56.1 | Low | 74.8 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 21% | 0.207 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A198 T199 L203 N205 T206 | A198-A201 WeakPolarHBondContact O-CA 3.34Å; A198-A201 WeakPolarHBondContact O-CB 3.3Å; A198-A201 PolarHBondContact O-N 3.17Å; T199-A201 PolarHBondContact O-N 3.28Å; A201-L203 PolarHBondContact O-N 2.93Å; A201-N205 WeakPolarHBondContact O-CA 3.45Å; A201-N205 PolarHBondContact O-N 3.43Å; A201-T206 WeakPolarHBondContact CA-O 3.5Å; A201-T206 WeakPolarHBondContact CB-O 3.47Å; A201-T206 PolarHBondContact O-N 3.35Å; A201-T206 VanDerWaalsContact O-N 3.11Å |
| 202 | T | 52.5 | Low | 74.8 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 70% | 0.699 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -75.8 | -24.6 | -169.7 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | T199 M204 | T199-T202 PolarHBondContact O-N 2.88Å; T199-T202 PolarHBondContact O-OG1 3.24Å; T202-M204 PolarHBondContact O-N 2.89Å |
| 203 | L | 48.8 | Very low | 74.8 | Confident | 123 Ų | 123 | 56.4 Ų | 56.4 | 64% | 0.644 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.1 | -177.7 | -83.3 | 157.5 | 0 | 0 | 0 | 113.6 | A201 | A201-L203 PolarHBondContact O-N 2.93Š|
| 204 | M | 45.5 | Very low | 74.9 | Confident | 156 Ų | 156 | 56.7 Ų | 56.7 | 77% | 0.768 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -168.6 | 60 | 173.2 | -151.8 | 172.1 | -85.8 | 0 | 0 | 113.2 | T202 T206 | T202-M204 PolarHBondContact O-N 2.89Å; M204-T206 PolarHBondContact O-N 3.34Å |
| 205 | N | 53 | Low | 75.2 | Confident | 107 Ų | 107 | 54.6 Ų | 54.6 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 34 | 177.2 | -61.3 | -61.4 | 0 | 0 | 0 | 115.5 | A201 D207 R256 | A201-N205 WeakPolarHBondContact O-CA 3.45Å; A201-N205 PolarHBondContact O-N 3.43Å; N205-D207 PolarHBondContact O-N 2.88Å; N205-R256 PolarHBondContact ND2-NH2 3.43Å |
| 206 | T | 55.6 | Low | 75.6 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | trans | -78.7 | 84.5 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | Y144 A200 A201 M204 S208 | Y144-T206 HydrophobicContact CD1-CG2 4.13Å; Y144-T206 HydrophobicContact CD2-CG2 3.95Å; Y144-T206 HydrophobicContact CE1-CG2 3.73Å; Y144-T206 HydrophobicContact CE2-CG2 3.58Å; Y144-T206 HydrophobicContact CG-CG2 4.2Å; Y144-T206 VanDerWaalsContact CZ-CG2 3.43Å; Y144-T206 PolarHBondContact OH-OG1 3.26Å; A200-T206 WeakPolarHBondContact O-CB 3.17Å; A201-T206 WeakPolarHBondContact CA-O 3.5Å; A201-T206 WeakPolarHBondContact CB-O 3.47Å; A201-T206 PolarHBondContact O-N 3.35Å; A201-T206 VanDerWaalsContact O-N 3.11Å; M204-T206 PolarHBondContact O-N 3.34Å; T206-S208 PolarHBondContact O-N 2.58Å | ||
| 207 | D | 69.5 | Low | 75.9 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | trans | -61 | 128.2 | 178.6 | -171.5 | -6 | 0 | 0 | 0 | 110.9 | N205 S209 R210 | N205-D207 PolarHBondContact O-N 2.88Å; D207-S209 PolarHBondContact O-N 3.01Å; D207-S209 VanDerWaalsContact O-N 3.07Å; D207-S209 WeakPolarHBondContact OD1-CB 3.37Å; D207-S209 PolarHBondContact OD1-N 3.26Å; D207-S209 PolarHBondContact OD1-OG 2.96Å; D207-S209 WeakPolarHBondContact OD2-CB 3.35Å; D207-S209 PolarHBondContact OD2-OG 2.82Å; D207-R210 HydrophobicContact CB-CG 4.3Å; D207-R210 WeakPolarHBondContact O-CB 3.4Å; D207-R210 PolarHBondContact O-N 3.35Å | ||
| 208 | S | 79.5 | Confident | 76.3 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -56.1 | -22 | 172.6 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | R197 T206 R210 S211 | R197-S208 PolarHBondContact NH2-O 3.22Å; T206-S208 PolarHBondContact O-N 2.58Å; S208-R210 PolarHBondContact O-N 3.28Å; S208-S211 PolarHBondContact O-N 2.79Å; S208-S211 PolarHBondContact O-OG 2.83Å |
| 209 | S | 83.2 | Confident | 77 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64 | -20.3 | 173.3 | 76 | 0 | 0 | 0 | 0 | 113.9 | D207 A242 G243 | D207-S209 PolarHBondContact O-N 3.01Å; D207-S209 VanDerWaalsContact O-N 3.07Å; D207-S209 WeakPolarHBondContact OD1-CB 3.37Å; D207-S209 PolarHBondContact OD1-N 3.26Å; D207-S209 PolarHBondContact OD1-OG 2.96Å; D207-S209 WeakPolarHBondContact OD2-CB 3.35Å; D207-S209 PolarHBondContact OD2-OG 2.82Å; S209-A242 CarbonylContact O-C 3.6Å; S209-A242 VanDerWaalsContact O-CA 3.32Å; S209-A242 WeakPolarHBondContact O-CA 3.42Å; S209-G243 PolarHBondContact O-N 2.9Å |
| 210 | R | 84.9 | Confident | 78.1 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -99.1 | -4.5 | -175.2 | -68.9 | -179.4 | 171.8 | -158.7 | -6.3 | 114 | Y144 D207 S208 E259 I263 | Y144-R210 HydrophobicContact CD2-CB 4.48Å; Y144-R210 HydrophobicContact CE2-CB 4.13Å; D207-R210 HydrophobicContact CB-CG 4.3Å; D207-R210 WeakPolarHBondContact O-CB 3.4Å; D207-R210 PolarHBondContact O-N 3.35Å; S208-R210 PolarHBondContact O-N 3.28Å; R210-E259 VanDerWaalsContact CD-OE1 3.24Å; R210-E259 WeakPolarHBondContact CD-OE1 3.42Å; R210-E259 IonicContact CZ-OE1 3.84Å; R210-E259 IonicContact NH1-OE1 2.73Å; R210-E259 PolarHBondContact NH1-OE1 2.63Å; R210-E259 IonicContact NH1-OE2 3.71Å; R210-E259 PolarHBondContact NH1-OE2 2.87Å; R210-E259 VanDerWaalsContact NH1-OE2 3.07Å; R210-I263 HydrophobicContact CB-CD1 3.54Å; R210-I263 HydrophobicContact CB-CG1 4.34Å; R210-I263 HydrophobicContact CG-CD1 3.71Å |
| 211 | S | 90.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -110.4 | 145.4 | 176.8 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | E142 I143 R197 S208 | E142-S211 WeakPolarHBondContact OE1-CB 3.23Å; E142-S211 PolarHBondContact OE1-OG 3Å; I143-S211 WeakPolarHBondContact O-CA 3.49Å; R197-S211 PolarHBondContact NE-OG 3.37Å; R197-S211 PolarHBondContact NH2-O 3.16Å; R197-S211 PolarHBondContact NH2-OG 3.37Å; S208-S211 PolarHBondContact O-N 2.79Å; S208-S211 PolarHBondContact O-OG 2.83Å |
| 212 | H | 93.4 | Very high | 81.3 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 136.7 | 167.7 | -51.1 | -77 | 0 | 0 | 0 | 108.3 | E142 I143 D240 L241 A242 S266 L292 | E142-H212 CarbonylContact C-O 3.58Å; E142-H212 VanDerWaalsContact CA-O 3.31Å; E142-H212 WeakPolarHBondContact CA-O 3.47Å; I143-H212 HydrophobicContact CB-CB 4.23Å; I143-H212 PolarHBondContact N-O 3.32Å; I143-H212 PolarHBondContact O-N 2.92Å; H212-D240 WeakPolarHBondContact CA-O 3.48Å; H212-L241 HydrophobicContact CB-CD2 4.48Å; H212-L241 WeakPolarHBondContact ND1-CA 3.38Å; H212-L241 WeakPolarHBondContact ND1-CD2 3.38Å; H212-A242 WeakPolarHBondContact CE1-CB 3.5Å; H212-A242 PolarHBondContact CE1-N 3.06Å; H212-A242 PolarHBondContact ND1-N 2.91Å; H212-S266 PolarHBondContact NE2-OG 3.3Å; H212-L292 HydrophobicContact CB-CD1 4.29Å |
| 213 | S | 94.3 | Very high | 82.9 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.9 | 173.6 | 82.3 | 0 | 0 | 0 | 0 | 110.2 | Y140 L141 R197 V239 D240 | Y140-S213 PolarHBondContact OH-OG 3.06Å; L141-S213 WeakPolarHBondContact O-CA 3.49Å; R197-S213 PolarHBondContact NH1-OG 3.12Å; R197-S213 VanDerWaalsContact NH1-OG 3.15Å; S213-V239 WeakPolarHBondContact O-CA 3.43Å; S213-D240 PolarHBondContact N-O 2.79Å; S213-D240 PolarHBondContact O-N 2.94Å |
| 214 | I | 96.9 | Very high | 84.5 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 104.4 | -177.1 | -57 | -178.5 | 0 | 0 | 0 | 107.4 | Y140 L141 I143 V239 L292 L295 | Y140-I214 WeakPolarHBondContact CD2-O 3.32Å; L141-I214 HydrophobicContact CD1-CB 3.84Å; L141-I214 HydrophobicContact CD1-CD1 4.08Å; L141-I214 HydrophobicContact CD1-CG1 4.09Å; L141-I214 HydrophobicContact CG-CB 4Å; L141-I214 PolarHBondContact N-O 3.36Å; L141-I214 PolarHBondContact O-N 2.96Å; I143-I214 HydrophobicContact CD1-CD1 4.12Å; I214-V239 HydrophobicContact CG1-CG1 4Å; I214-V239 HydrophobicContact CG1-CG2 4.11Å; I214-V239 HydrophobicContact CG2-CG2 4.15Å; I214-L292 HydrophobicContact CD1-CD1 4.21Å; I214-L295 HydrophobicContact CD1-CB 4.45Å; I214-L295 HydrophobicContact CD1-CD1 4.1Å |
| 215 | F | 97.5 | Very high | 85.8 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.1 | 169.7 | -168.3 | -81.1 | 0 | 0 | 0 | 108.2 | F119 A138 Y140 L190 L217 L238 | F119-F215 HydrophobicContact CE1-CD1 4.13Å; F119-F215 AromaticContact CE1-CE1 3.49Å; F119-F215 HydrophobicContact CE1-CE1 3.49Å; F119-F215 VanDerWaalsContact CE1-CE1 3.49Å; F119-F215 HydrophobicContact CE1-CZ 4.04Å; F119-F215 HydrophobicContact CZ-CD1 4.13Å; F119-F215 AromaticContact CZ-CE1 3.49Å; F119-F215 HydrophobicContact CZ-CE1 3.49Å; F119-F215 VanDerWaalsContact CZ-CE1 3.49Å; F119-F215 HydrophobicContact CZ-CE2 4.33Å; F119-F215 AromaticContact CZ-CZ 3.61Å; F119-F215 HydrophobicContact CZ-CZ 3.61Å; A138-F215 HydrophobicContact CB-CE1 4.31Å; A138-F215 HydrophobicContact CB-CZ 3.93Å; Y140-F215 AromaticContact CD1-CD2 3.86Å; Y140-F215 HydrophobicContact CD1-CD2 3.86Å; Y140-F215 HydrophobicContact CD1-CE2 4.41Å; Y140-F215 HydrophobicContact CD2-CB 3.86Å; Y140-F215 AromaticContact CD2-CD2 3.89Å; Y140-F215 HydrophobicContact CD2-CD2 3.89Å; Y140-F215 HydrophobicContact CD2-CG 4.36Å; Y140-F215 HydrophobicContact CE1-CD2 4.47Å; Y140-F215 HydrophobicContact CE2-CB 4.12Å; Y140-F215 HydrophobicContact CE2-CD2 4.45Å; Y140-F215 HydrophobicContact CG-CB 4.41Å; Y140-F215 AromaticContact CG-CD2 3.57Å; Y140-F215 HydrophobicContact CG-CD2 3.57Å; Y140-F215 HydrophobicContact CG-CE2 4.33Å; Y140-F215 HydrophobicContact CG-CG 4.44Å; L190-F215 HydrophobicContact CB-CE2 4.42Å; L190-F215 HydrophobicContact CD1-CD2 4.12Å; L190-F215 HydrophobicContact CD1-CE2 4.39Å; F215-L217 HydrophobicContact CD1-CG 4.43Å; F215-L217 HydrophobicContact CE1-CD2 3.72Å; F215-L217 HydrophobicContact CE1-CG 3.95Å; F215-L217 HydrophobicContact CZ-CD2 4.48Å; F215-L238 HydrophobicContact CB-CB 4.39Å; F215-L238 HydrophobicContact CD1-CD1 4.39Å; F215-L238 PolarHBondContact N-O 3.37Å; F215-L238 PolarHBondContact O-N 3.45Å |
| 216 | T | 97.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.8 | -177.9 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | A138 S139 H218 L236 H237 | A138-T216 WeakPolarHBondContact CA-O 3.4Å; S139-T216 PolarHBondContact N-O 3.44Å; S139-T216 PolarHBondContact O-N 3.39Å; T216-H218 VanDerWaalsContact CG2-NE2 3.32Å; T216-H218 WeakPolarHBondContact CG2-NE2 3.25Å; T216-L236 VanDerWaalsContact CA-O 3.32Å; T216-L236 WeakPolarHBondContact CA-O 3.47Å; T216-H237 VanDerWaalsContact CG2-CE1 3.41Å; T216-H237 WeakPolarHBondContact CG2-CE1 3.49Å; T216-H237 WeakPolarHBondContact CG2-ND1 3.43Å; T216-H237 PolarHBondContact OG1-ND1 3.02Å |
| 217 | L | 97.4 | Very high | 87.3 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126 | 165.2 | -66.4 | 173.8 | 0 | 0 | 0 | 109.2 | T118 F119 I122 I136 A138 F215 L219 K235 L236 | T118-L217 HydrophobicContact CG2-CD1 4.34Å; F119-L217 HydrophobicContact CD1-CD1 3.96Å; F119-L217 HydrophobicContact CE1-CD1 3.98Å; F119-L217 HydrophobicContact CE1-CD2 4.45Å; F119-L217 HydrophobicContact CE1-CG 4.45Å; I122-L217 HydrophobicContact CD1-CD1 3.52Å; I136-L217 HydrophobicContact CG2-CD2 4.1Å; A138-L217 HydrophobicContact CB-CD2 3.95Å; F215-L217 HydrophobicContact CD1-CG 4.43Å; F215-L217 HydrophobicContact CE1-CD2 3.72Å; F215-L217 HydrophobicContact CE1-CG 3.95Å; F215-L217 HydrophobicContact CZ-CD2 4.48Å; L217-L219 HydrophobicContact CB-CD1 3.88Å; L217-K235 CarbonylContact O-C 3.55Å; L217-K235 WeakPolarHBondContact O-CA 3.44Å; L217-L236 HydrophobicContact CB-CB 4.36Å; L217-L236 PolarHBondContact N-O 2.94Å; L217-L236 PolarHBondContact O-N 3.41Å |
| 218 | H | 96 | Very high | 87.5 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.208 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.4 | 172.4 | -62.7 | -99.7 | 0 | 0 | 0 | 107.6 | I136 C137 M177 T216 | I136-H218 CarbonylContact C-O 3.59Å; I136-H218 WeakPolarHBondContact CA-O 3.26Å; C137-H218 HydrophobicContact CB-CB 4.25Å; C137-H218 PolarHBondContact N-O 3.33Å; C137-H218 PolarHBondContact O-N 2.94Å; M177-H218 HydrophobicContact CE-CB 3.94Å; M177-H218 WeakPolarHBondContact CE-CD2 3.3Å; M177-H218 VanDerWaalsContact CE-CG 3.43Å; T216-H218 VanDerWaalsContact CG2-NE2 3.32Å; T216-H218 WeakPolarHBondContact CG2-NE2 3.25Å |
| 219 | L | 95.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.9 | 179.9 | -68.1 | 81.5 | 0 | 0 | 0 | 108.4 | V80 L81 I122 I136 L217 M221 T233 A234 | V80-L219 HydrophobicContact CG1-CD1 3.94Å; V80-L219 HydrophobicContact CG1-CD2 4.19Å; L81-L219 HydrophobicContact CD2-CD2 4.06Å; I122-L219 HydrophobicContact CG2-CD2 4.28Å; I136-L219 HydrophobicContact CG1-CG 4.49Å; L217-L219 HydrophobicContact CB-CD1 3.88Å; L219-M221 HydrophobicContact CB-CE 4.39Å; L219-T233 CarbonylContact O-C 3.46Å; L219-T233 WeakPolarHBondContact O-CA 3.5Å; L219-A234 HydrophobicContact CB-CB 4.4Å; L219-A234 PolarHBondContact N-O 3Å; L219-A234 PolarHBondContact O-N 2.68Å |
| 220 | E | 93.4 | Very high | 87.5 | Confident | 84 Ų | 84 | 50.2 Ų | 50.2 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.3 | 167.4 | -57.4 | -175.8 | 173.4 | 0 | 0 | 107.8 | F134 L135 F222 T233 | F134-E220 CarbonylContact C-O 3.36Å; F134-E220 VanDerWaalsContact CA-O 3.31Å; F134-E220 WeakPolarHBondContact CA-O 3.41Å; L135-E220 HydrophobicContact CB-CB 4.3Å; L135-E220 PolarHBondContact N-O 3.13Å; L135-E220 PolarHBondContact O-N 3.42Å; E220-F222 HydrophobicContact CB-CE2 4.23Å; E220-F222 HydrophobicContact CB-CZ 4.25Å; E220-T233 HydrophobicContact CG-CG2 4.22Å |
| 221 | M | 92.7 | Very high | 87.7 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.7 | -172.7 | -64 | 170.6 | -113.7 | 0 | 0 | 108.7 | V80 V132 K133 F134 L219 I231 K232 A234 | V80-M221 WeakPolarHBondContact O-CE 3.38Å; V132-M221 HydrophobicContact CG1-CB 4.13Å; K133-M221 CarbonylContact O-C 3.56Å; K133-M221 WeakPolarHBondContact O-CA 3.21Å; F134-M221 HydrophobicContact CD1-CG 3.55Å; F134-M221 HydrophobicContact CD1-SD 4.46Å; F134-M221 HydrophobicContact CE1-CB 4.47Å; F134-M221 HydrophobicContact CE1-CG 3.47Å; F134-M221 VanDerWaalsContact CE1-CG 3.47Å; F134-M221 HydrophobicContact CE1-SD 3.86Å; F134-M221 HydrophobicContact CZ-CG 4.41Å; L219-M221 HydrophobicContact CB-CE 4.39Å; M221-I231 WeakPolarHBondContact O-CA 3.41Å; M221-K232 HydrophobicContact CB-CB 4.12Å; M221-K232 HydrophobicContact CE-CB 4.46Å; M221-K232 PolarHBondContact N-O 2.73Å; M221-K232 PolarHBondContact O-N 3.22Å; M221-K232 HydrophobicContact SD-CB 4.43Å; M221-A234 HydrophobicContact CE-CB 3.82Å |
| 222 | F | 90.4 | Very high | 87.8 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 21% | 0.211 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 99.1 | 177.9 | -52.5 | -87.3 | 0 | 0 | 0 | 107.7 | V132 K133 L135 E220 I231 | V132-F222 WeakPolarHBondContact CA-O 2.85Å; K133-F222 HydrophobicContact CB-CB 4.19Å; K133-F222 PolarHBondContact N-O 3.35Å; K133-F222 PolarHBondContact O-N 3.47Å; L135-F222 HydrophobicContact CB-CE2 3.96Å; E220-F222 HydrophobicContact CB-CE2 4.23Å; E220-F222 HydrophobicContact CB-CZ 4.25Å; F222-I231 HydrophobicContact CD1-CD1 4.2Å; F222-I231 HydrophobicContact CD1-CG1 3.95Å; F222-I231 HydrophobicContact CE1-CD1 4.09Å; F222-I231 HydrophobicContact CE1-CG1 4.24Å; F222-I231 HydrophobicContact CE1-CG2 4.38Å |
| 223 | E | 86.4 | Confident | 87.8 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.5 | 179.7 | 179.8 | 171.7 | -171.3 | 0 | 0 | 109.4 | V132 E229 H230 K232 | V132-E223 HydrophobicContact CG2-CB 4.15Å; V132-E223 HydrophobicContact CG2-CG 4.05Å; E223-E229 WeakPolarHBondContact O-CA 3.32Å; E223-H230 HydrophobicContact CB-CB 4.39Å; E223-H230 PolarHBondContact N-O 2.94Å; E223-H230 PolarHBondContact O-N 2.88Å; E223-K232 IonicContact OE2-NZ 3.96Å; E223-K232 PolarHBondContact OE2-NZ 2.93Å |
| 224 | V | 80.7 | Confident | 87.9 | Confident | 76 Ų | 76 | 55.3 Ų | 55.3 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 106.8 | 177 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | N131 R228 E229 | N131-V224 PolarHBondContact O-N 2.88Å; V224-R228 WeakPolarHBondContact CA-O 3.47Å; V224-E229 HydrophobicContact CG2-CG 4.49Å |
| 225 | H | 74.7 | Confident | 87.8 | Confident | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.5 | 179.2 | -163.8 | 66.5 | 0 | 0 | 0 | 110.7 | G227 R228 | H225-G227 PolarHBondContact O-N 2.97Å; H225-G227 VanDerWaalsContact O-N 3.16Å; H225-R228 PolarHBondContact N-O 2.84Å; H225-R228 PolarHBondContact O-N 2.71Å |
| 226 | H | 70.8 | Confident | 87.8 | Confident | 172 Ų | 172 | 57.8 Ų | 57.8 | 80% | 0.796 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 38.7 | -178.7 | -62.6 | -60.5 | 0 | 0 | 0 | 114.7 | R228 | H226-R228 PolarHBondContact O-N 3.19Š|
| 227 | G | 68.9 | Low | 87.8 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 77% | 0.773 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H225 | H225-G227 PolarHBondContact O-N 2.97Å; H225-G227 VanDerWaalsContact O-N 3.16Å |
| 228 | R | 72.2 | Confident | 87.9 | Confident | 142 Ų | 142 | 59 Ų | 59 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.6 | 171.3 | -62 | -176 | -178.5 | -169.6 | -1.3 | 109.9 | V224 H225 H226 | V224-R228 WeakPolarHBondContact CA-O 3.47Å; H225-R228 PolarHBondContact N-O 2.84Å; H225-R228 PolarHBondContact O-N 2.71Å; H226-R228 PolarHBondContact O-N 3.19Å |
| 229 | E | 78.4 | Confident | 87.9 | Confident | 142 Ų | 142 | 56.9 Ų | 56.9 | 66% | 0.664 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.1 | 175.9 | -64.6 | 176.2 | 177.5 | 0 | 0 | 108.7 | E223 V224 | E223-E229 WeakPolarHBondContact O-CA 3.32Å; V224-E229 HydrophobicContact CG2-CG 4.49Å |
| 230 | H | 85.4 | Confident | 87.9 | Confident | 54 Ų | 54 | 57 Ų | 57 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.2 | 172.6 | -67.5 | -57.5 | 0 | 0 | 0 | 109.3 | E223 D347 | E223-H230 HydrophobicContact CB-CB 4.39Å; E223-H230 PolarHBondContact N-O 2.94Å; E223-H230 PolarHBondContact O-N 2.88Å; H230-D347 VanDerWaalsContact CA-OD2 3.29Å; H230-D347 WeakPolarHBondContact CA-OD2 3.48Å; H230-D347 IonicContact CE1-OD1 3.81Å; H230-D347 VanDerWaalsContact ND1-CG 3.32Å; H230-D347 IonicContact ND1-OD1 2.82Å; H230-D347 PolarHBondContact ND1-OD1 2.86Å; H230-D347 IonicContact ND1-OD2 3.87Å |
| 231 | I | 89.6 | Confident | 88 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.3 | -178.4 | -55.2 | 177.1 | 0 | 0 | 0 | 109.2 | M221 F222 D344 D347 | M221-I231 WeakPolarHBondContact O-CA 3.41Å; F222-I231 HydrophobicContact CD1-CD1 4.2Å; F222-I231 HydrophobicContact CD1-CG1 3.95Å; F222-I231 HydrophobicContact CE1-CD1 4.09Å; F222-I231 HydrophobicContact CE1-CG1 4.24Å; F222-I231 HydrophobicContact CE1-CG2 4.38Å; I231-D344 HydrophobicContact CB-CB 4.37Å; I231-D344 PolarHBondContact O-N 3.45Å; I231-D347 PolarHBondContact N-OD2 2.82Å |
| 232 | K | 92.5 | Very high | 87.9 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.6 | 171.7 | -65.3 | 168.7 | -177.2 | 160.2 | 0 | 110 | M221 E223 I341 N342 E343 | M221-K232 HydrophobicContact CB-CB 4.12Å; M221-K232 HydrophobicContact CE-CB 4.46Å; M221-K232 PolarHBondContact N-O 2.73Å; M221-K232 PolarHBondContact O-N 3.22Å; M221-K232 HydrophobicContact SD-CB 4.43Å; E223-K232 IonicContact OE2-NZ 3.96Å; E223-K232 PolarHBondContact OE2-NZ 2.93Å; K232-I341 HydrophobicContact CD-CG2 4.2Å; K232-I341 HydrophobicContact CG-CG2 4.33Å; K232-N342 CarbonylContact C-O 3.47Å; K232-N342 VanDerWaalsContact CA-O 3.25Å; K232-N342 WeakPolarHBondContact CA-O 3.44Å; K232-E343 HydrophobicContact CG-CG 4.19Å |
| 233 | T | 93.2 | Very high | 87.9 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.7 | 178.7 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | G83 L219 E220 N342 | G83-T233 VanDerWaalsContact O-O 3.13Å; L219-T233 CarbonylContact O-C 3.46Å; L219-T233 WeakPolarHBondContact O-CA 3.5Å; E220-T233 HydrophobicContact CG-CG2 4.22Å; T233-N342 PolarHBondContact N-O 3.42Å; T233-N342 VanDerWaalsContact O-CB 3.31Å; T233-N342 WeakPolarHBondContact O-CB 3.25Å; T233-N342 PolarHBondContact O-ND2 2.79Å; T233-N342 WeakPolarHBondContact OG1-CB 3.27Å |
| 234 | A | 95.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 146.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V80 Y84 L219 M221 | V80-A234 HydrophobicContact CG1-CB 3.88Å; V80-A234 WeakPolarHBondContact O-CB 3.43Å; Y84-A234 WeakPolarHBondContact O-CB 3.36Å; L219-A234 HydrophobicContact CB-CB 4.4Å; L219-A234 PolarHBondContact N-O 3Å; L219-A234 PolarHBondContact O-N 2.68Å; M221-A234 HydrophobicContact CE-CB 3.82Å |
| 235 | K | 95.6 | Very high | 88.3 | Confident | 62 Ų | 62 | 47 Ų | 47 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130 | 171 | -59 | 178 | -171.4 | 171.1 | 0 | 109 | N85 G86 R168 L217 | N85-K235 CarbonylContact C-O 3.57Å; N85-K235 WeakPolarHBondContact CA-O 3.41Å; N85-K235 PolarHBondContact OD1-N 3.34Å; G86-K235 PolarHBondContact N-O 3.06Å; R168-K235 PolarHBondContact O-NZ 2.9Å; L217-K235 CarbonylContact O-C 3.55Å; L217-K235 WeakPolarHBondContact O-CA 3.44Å |
| 236 | L | 97.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 108.1 | 171.3 | 176.3 | 56.1 | 0 | 0 | 0 | 109.9 | L76 V77 V80 G86 T118 I122 T216 L217 L238 | L76-L236 HydrophobicContact CD2-CD1 4.4Å; V77-L236 HydrophobicContact CG2-CD2 4.33Å; V80-L236 HydrophobicContact CG1-CB 4.06Å; V80-L236 HydrophobicContact CG2-CB 4.25Å; V80-L236 HydrophobicContact CG2-CD1 4.18Å; G86-L236 WeakPolarHBondContact O-CA 3.5Å; T118-L236 HydrophobicContact CG2-CD2 3.45Å; T118-L236 VanDerWaalsContact CG2-CD2 3.45Å; I122-L236 HydrophobicContact CD1-CD2 4.05Å; T216-L236 VanDerWaalsContact CA-O 3.32Å; T216-L236 WeakPolarHBondContact CA-O 3.47Å; L217-L236 HydrophobicContact CB-CB 4.36Å; L217-L236 PolarHBondContact N-O 2.94Å; L217-L236 PolarHBondContact O-N 3.41Å; L236-L238 HydrophobicContact CD1-CD2 4.15Å; L236-L238 HydrophobicContact CD2-CD2 4.44Å; L236-L238 HydrophobicContact CG-CD2 4.17Å; L236-L238 HydrophobicContact CG-CG 4.26Å |
| 237 | H | 97.8 | Very high | 88.3 | Confident | 27 Ų | 27 | 37.6 Ų | 37.6 | 13% | 0.125 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.4 | 174.3 | -60.7 | -58.9 | 0 | 0 | 0 | 110.5 | G86 T87 V88 T216 V239 | G86-H237 PolarHBondContact O-N 3.47Å; T87-H237 CarbonylContact C-O 3.37Å; T87-H237 WeakPolarHBondContact CA-O 3.34Å; T87-H237 HydrophobicContact CG2-CB 4.04Å; V88-H237 PolarHBondContact N-O 3.1Å; T216-H237 VanDerWaalsContact CG2-CE1 3.41Å; T216-H237 WeakPolarHBondContact CG2-CE1 3.49Å; T216-H237 WeakPolarHBondContact CG2-ND1 3.43Å; T216-H237 PolarHBondContact OG1-ND1 3.02Å; H237-V239 HydrophobicContact CB-CG2 4.14Å |
| 238 | L | 98.1 | Very high | 88.3 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 105.8 | 174.1 | -58.4 | 171.3 | 0 | 0 | 0 | 107.6 | V88 M102 I114 V115 T118 F215 L236 | V88-L238 HydrophobicContact CB-CD2 4.12Å; V88-L238 HydrophobicContact CG2-CD2 4.19Å; M102-L238 HydrophobicContact CE-CB 3.87Å; M102-L238 HydrophobicContact CE-CD2 4.48Å; I114-L238 HydrophobicContact CG2-CD2 4.47Å; V115-L238 HydrophobicContact CB-CD1 4.26Å; V115-L238 HydrophobicContact CG1-CD1 4.07Å; V115-L238 HydrophobicContact CG2-CB 4.04Å; V115-L238 HydrophobicContact CG2-CD1 4Å; T118-L238 HydrophobicContact CG2-CD1 4.21Å; F215-L238 HydrophobicContact CB-CB 4.39Å; F215-L238 HydrophobicContact CD1-CD1 4.39Å; F215-L238 PolarHBondContact N-O 3.37Å; F215-L238 PolarHBondContact O-N 3.45Å; L236-L238 HydrophobicContact CD1-CD2 4.15Å; L236-L238 HydrophobicContact CD2-CD2 4.44Å; L236-L238 HydrophobicContact CG-CD2 4.17Å; L236-L238 HydrophobicContact CG-CG 4.26Å |
| 239 | V | 97.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.9 | -165.7 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | T87 V88 F89 A90 S213 I214 H237 L241 L296 | T87-V239 HydrophobicContact CG2-CG2 4.48Å; V88-V239 PolarHBondContact O-N 3.01Å; F89-V239 WeakPolarHBondContact CA-O 3.34Å; F89-V239 HydrophobicContact CB-CB 3.63Å; F89-V239 HydrophobicContact CB-CG1 4.12Å; F89-V239 HydrophobicContact CB-CG2 4.3Å; A90-V239 PolarHBondContact N-O 3.22Å; S213-V239 WeakPolarHBondContact O-CA 3.43Å; I214-V239 HydrophobicContact CG1-CG1 4Å; I214-V239 HydrophobicContact CG1-CG2 4.11Å; I214-V239 HydrophobicContact CG2-CG2 4.15Å; H237-V239 HydrophobicContact CB-CG2 4.14Å; V239-L241 HydrophobicContact CG1-CD2 3.51Å; V239-L241 HydrophobicContact CG1-CG 3.96Å; V239-L296 HydrophobicContact CG2-CD2 4.23Å |
| 240 | D | 95.5 | Very high | 87.5 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 104.4 | 167.8 | -174.3 | 17.7 | 0 | 0 | 0 | 107.6 | K98 S99 M102 R197 H212 S213 | K98-D240 WeakPolarHBondContact CB-OD1 3.42Å; S99-D240 WeakPolarHBondContact CB-OD2 3.3Å; S99-D240 PolarHBondContact OG-OD2 3.44Å; M102-D240 HydrophobicContact CG-CB 4.4Å; R197-D240 IonicContact NH1-OD2 2.84Å; H212-D240 WeakPolarHBondContact CA-O 3.48Å; S213-D240 PolarHBondContact N-O 2.79Å; S213-D240 PolarHBondContact O-N 2.94Å |
| 241 | L | 94.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 157.6 | -177.4 | -62.5 | 175.5 | 0 | 0 | 0 | 111.2 | F89 A90 Y91 K98 H212 V239 L270 L292 | F89-L241 HydrophobicContact CD2-CD1 3.81Å; F89-L241 HydrophobicContact CE2-CD1 4.46Å; A90-L241 WeakPolarHBondContact O-CB 3.27Å; A90-L241 WeakPolarHBondContact O-CG 3.47Å; A90-L241 PolarHBondContact O-N 2.84Å; Y91-L241 HydrophobicContact CD2-CD1 3.81Å; Y91-L241 HydrophobicContact CG-CD1 4.48Å; K98-L241 WeakPolarHBondContact CE-O 3.43Å; H212-L241 HydrophobicContact CB-CD2 4.48Å; H212-L241 WeakPolarHBondContact ND1-CA 3.38Å; H212-L241 WeakPolarHBondContact ND1-CD2 3.38Å; V239-L241 HydrophobicContact CG1-CD2 3.51Å; V239-L241 HydrophobicContact CG1-CG 3.96Å; L241-L270 HydrophobicContact CD1-CD2 4.17Å; L241-L292 HydrophobicContact CD2-CD1 3.91Å; L241-L292 HydrophobicContact CD2-CD2 3.85Å; L241-L292 HydrophobicContact CD2-CG 4.48Å |
| 242 | A | 91.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 160.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S209 H212 S244 I263 | S209-A242 CarbonylContact O-C 3.6Å; S209-A242 VanDerWaalsContact O-CA 3.32Å; S209-A242 WeakPolarHBondContact O-CA 3.42Å; H212-A242 WeakPolarHBondContact CE1-CB 3.5Å; H212-A242 PolarHBondContact CE1-N 3.06Å; H212-A242 PolarHBondContact ND1-N 2.91Å; A242-S244 PolarHBondContact O-N 3.31Å; A242-I263 HydrophobicContact CB-CG2 4.25Å |
| 243 | G | 90.2 | Very high | 84.2 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 131 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S209 E245 L267 | S209-G243 PolarHBondContact O-N 2.9Å; G243-E245 VanDerWaalsContact C-N 3.32Å; G243-E245 WeakPolarHBondContact CA-OE2 3.4Å; G243-L267 VanDerWaalsContact O-CD1 3.24Å; G243-L267 WeakPolarHBondContact O-CD1 3.48Å |
| 244 | S | 89.9 | Confident | 83.1 | Confident | 19 Ų | 19 | 38 Ų | 38 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | trans | -86.5 | 2.2 | 178 | 69 | 0 | 0 | 0 | 0 | 114.6 | Y91 G92 Q93 A242 | Y91-S244 WeakPolarHBondContact OH-CB 3.4Å; G92-S244 WeakPolarHBondContact CA-OG 3.5Å; G92-S244 PolarHBondContact O-N 2.77Å; G92-S244 VanDerWaalsContact O-N 3.14Å; G92-S244 PolarHBondContact O-OG 2.74Å; Q93-S244 PolarHBondContact N-OG 3.3Å; A242-S244 PolarHBondContact O-N 3.31Å | ||
| 245 | E | 86.1 | Confident | 81.8 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | trans | -67.4 | 151.2 | -177.6 | 66.8 | -80.3 | -170.9 | 0 | 0 | 113.5 | Q93 T94 G243 E321 | Q93-E245 VanDerWaalsContact CA-OE2 3.31Å; Q93-E245 WeakPolarHBondContact CA-OE2 3.3Å; Q93-E245 HydrophobicContact CB-CB 4.11Å; T94-E245 WeakPolarHBondContact CB-OE1 3.41Å; T94-E245 PolarHBondContact N-OE2 3.44Å; T94-E245 VanDerWaalsContact OG1-CD 3.3Å; T94-E245 PolarHBondContact OG1-OE1 2.84Å; T94-E245 PolarHBondContact OG1-OE2 3.45Å; G243-E245 VanDerWaalsContact C-N 3.32Å; G243-E245 WeakPolarHBondContact CA-OE2 3.4Å; E245-E321 WeakPolarHBondContact CA-OE2 3.11Å; E245-E321 HydrophobicContact CB-CG 4.31Å | ||
| 246 | R | 74.9 | Confident | 80.5 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | trans | -73.9 | 144.7 | -179.7 | -60.3 | -177.4 | -174.6 | -156 | -1.7 | 112 | S248 K249 E321 E549 E553 D556 | R246-S248 PolarHBondContact O-N 3.23Å; R246-K249 WeakPolarHBondContact O-CB 3.33Å; R246-K249 PolarHBondContact O-N 2.8Å; R246-E321 PolarHBondContact N-OE1 2.95Å; R246-E549 PolarHBondContact NH1-O 2.94Å; R246-E549 PolarHBondContact NH2-O 3.15Å; R246-E553 VanDerWaalsContact NH1-N 3.17Å; R246-D556 WeakPolarHBondContact CD-OD2 3.39Å | ||
| 247 | Q | 69.3 | Low | 79.1 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -22.4 | -178.6 | -61.9 | -59.2 | -24.4 | 0 | 0 | 113.5 | K249 T250 A260 N264 | Q247-K249 PolarHBondContact O-N 3.03Å; Q247-T250 PolarHBondContact O-N 3.35Å; Q247-T250 PolarHBondContact O-OG1 2.91Å; Q247-T250 PolarHBondContact OE1-OG1 3.41Å; Q247-T250 VanDerWaalsContact OE1-OG1 3.06Å; Q247-A260 HydrophobicContact CB-CB 4.43Å; Q247-A260 HydrophobicContact CG-CB 3.73Å; Q247-A260 PolarHBondContact NE2-O 3.48Å; Q247-N264 WeakPolarHBondContact CG-ND2 3.34Å; Q247-N264 PolarHBondContact NE2-OD1 3.14Å |
| 248 | S | 68.6 | Low | 77.9 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 46% | 0.462 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.7 | -27.8 | 171.6 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | R246 D556 | R246-S248 PolarHBondContact O-N 3.23Å; S248-D556 VanDerWaalsContact CB-OD1 3.23Å; S248-D556 WeakPolarHBondContact CB-OD1 3.48Å; S248-D556 PolarHBondContact OG-OD1 3.35Å; S248-D556 PolarHBondContact OG-OD2 3.24Å; S248-D556 VanDerWaalsContact OG-OD2 3.08Å |
| 249 | K | 68 | Low | 76.6 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 30% | 0.3 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.9 | -31.1 | 173.6 | -67.2 | -165.5 | 174.3 | -165.8 | 0 | 113.8 | R246 Q247 R251 Y317 E321 | R246-K249 WeakPolarHBondContact O-CB 3.33Å; R246-K249 PolarHBondContact O-N 2.8Å; Q247-K249 PolarHBondContact O-N 3.03Å; K249-R251 VanDerWaalsContact C-N 3.33Å; K249-R251 PolarHBondContact O-N 2.98Å; K249-Y317 PolarHBondContact NZ-O 3.04Å; K249-E321 HydrophobicContact CD-CG 4.32Å; K249-E321 WeakPolarHBondContact CD-OE1 3.34Å; K249-E321 WeakPolarHBondContact CE-OE1 3.17Å; K249-E321 IonicContact NZ-OE1 3.26Å |
| 250 | T | 66.9 | Low | 75.3 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 32% | 0.319 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79.8 | -13.8 | -172 | 66.8 | 0 | 0 | 0 | 0 | 113.7 | Q247 A252 | Q247-T250 PolarHBondContact O-N 3.35Å; Q247-T250 PolarHBondContact O-OG1 2.91Å; Q247-T250 PolarHBondContact OE1-OG1 3.41Å; Q247-T250 VanDerWaalsContact OE1-OG1 3.06Å; T250-A252 PolarHBondContact O-N 2.88Å |
| 251 | R | 65.2 | Low | 74.3 | Confident | 226 Ų | 226 | 52.7 Ų | 52.7 | 85% | 0.853 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 30.9 | -177.5 | -63 | -174.7 | 177.7 | -177.7 | 0.3 | 113.6 | K249 | K249-R251 VanDerWaalsContact C-N 3.33Å; K249-R251 PolarHBondContact O-N 2.98Å |
| 252 | A | 65.7 | Low | 73.5 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | trans | -73.2 | 144.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T250 R256 | T250-A252 PolarHBondContact O-N 2.88Å; A252-R256 HydrophobicContact CB-CB 3.88Å | ||
| 253 | V | 67 | Low | 72.6 | Confident | 119 Ų | 119 | 58.4 Ų | 58.4 | 72% | 0.721 | 29% | 0.291 | S | S | * | . | trans | -127.9 | 155.8 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 254 | G | 69.9 | Low | 71.9 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -136.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R256 L257 | G254-R256 VanDerWaalsContact C-N 3.28Å; G254-R256 PolarHBondContact O-N 3.25Å; G254-L257 VanDerWaalsContact O-CB 3.27Å; G254-L257 WeakPolarHBondContact O-CB 3.4Å; G254-L257 PolarHBondContact O-N 3.27Å |
| 255 | D | 68.3 | Low | 71.7 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.1 | -28.5 | -178.6 | -67.1 | -40.5 | 0 | 0 | 0 | 113.2 | L257 K258 E259 | D255-L257 PolarHBondContact O-N 3.09Å; D255-K258 PolarHBondContact O-N 2.65Å; D255-K258 VanDerWaalsContact O-N 3.08Å; D255-K258 IonicContact OD1-NZ 3.95Å; D255-K258 PolarHBondContact OD1-NZ 2.63Å; D255-E259 PolarHBondContact O-N 3.01Å |
| 256 | R | 68.1 | Low | 71.8 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60 | -27.6 | 171.3 | -71.7 | -171.6 | 178.5 | 164.3 | 0.4 | 112.4 | N205 A252 G254 A260 | N205-R256 PolarHBondContact ND2-NH2 3.43Å; A252-R256 HydrophobicContact CB-CB 3.88Å; G254-R256 VanDerWaalsContact C-N 3.28Å; G254-R256 PolarHBondContact O-N 3.25Å; R256-A260 WeakPolarHBondContact O-CB 3.49Å; R256-A260 PolarHBondContact O-N 2.74Å |
| 257 | L | 69.1 | Low | 72.5 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.6 | -43 | 174.5 | -177.5 | 69.4 | 0 | 0 | 0 | 111.4 | G254 D255 E259 A260 T261 K563 | G254-L257 VanDerWaalsContact O-CB 3.27Å; G254-L257 WeakPolarHBondContact O-CB 3.4Å; G254-L257 PolarHBondContact O-N 3.27Å; D255-L257 PolarHBondContact O-N 3.09Å; L257-E259 VanDerWaalsContact C-N 3.32Å; L257-E259 PolarHBondContact O-N 3.31Å; L257-A260 WeakPolarHBondContact O-CB 3.47Å; L257-A260 PolarHBondContact O-N 2.79Å; L257-T261 PolarHBondContact O-N 2.94Å; L257-T261 PolarHBondContact O-OG1 3.36Å; L257-K563 HydrophobicContact CD1-CD 4.48Å; L257-K563 HydrophobicContact CD2-CB 3.58Å; L257-K563 HydrophobicContact CD2-CD 3.45Å; L257-K563 VanDerWaalsContact CD2-CD 3.45Å; L257-K563 HydrophobicContact CD2-CG 4.16Å |
| 258 | K | 72 | Confident | 73.3 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 39% | 0.391 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.3 | -66 | 176.8 | -173.9 | 158.6 | 0 | 111.3 | D255 K262 | D255-K258 PolarHBondContact O-N 2.65Å; D255-K258 VanDerWaalsContact O-N 3.08Å; D255-K258 IonicContact OD1-NZ 3.95Å; D255-K258 PolarHBondContact OD1-NZ 2.63Å; K258-K262 WeakPolarHBondContact O-CG 3.32Å; K258-K262 PolarHBondContact O-N 2.88Å |
| 259 | E | 70.9 | Confident | 74.4 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -53 | 172 | 166.7 | -175 | 178.7 | 0 | 0 | 111.1 | Y144 I145 R210 D255 L257 T261 K262 I263 | Y144-E259 WeakPolarHBondContact CE2-OE1 3.47Å; Y144-E259 PolarHBondContact OH-OE1 3.37Å; I145-E259 HydrophobicContact CD1-CB 3.9Å; I145-E259 HydrophobicContact CD1-CG 3.6Å; I145-E259 HydrophobicContact CG1-CG 4Å; R210-E259 VanDerWaalsContact CD-OE1 3.24Å; R210-E259 WeakPolarHBondContact CD-OE1 3.42Å; R210-E259 IonicContact CZ-OE1 3.84Å; R210-E259 IonicContact NH1-OE1 2.73Å; R210-E259 PolarHBondContact NH1-OE1 2.63Å; R210-E259 IonicContact NH1-OE2 3.71Å; R210-E259 PolarHBondContact NH1-OE2 2.87Å; R210-E259 VanDerWaalsContact NH1-OE2 3.07Å; D255-E259 PolarHBondContact O-N 3.01Å; L257-E259 VanDerWaalsContact C-N 3.32Å; L257-E259 PolarHBondContact O-N 3.31Å; E259-T261 VanDerWaalsContact C-N 3.31Å; E259-T261 PolarHBondContact O-N 2.88Å; E259-K262 CarbonylContact O-C 3.53Å; E259-K262 PolarHBondContact O-N 3.2Å; E259-I263 HydrophobicContact CG-CD1 3.54Å; E259-I263 HydrophobicContact CG-CG1 4.33Å; E259-I263 WeakPolarHBondContact O-CG1 3.26Å; E259-I263 PolarHBondContact O-N 2.85Å |
| 260 | A | 69.4 | Low | 75.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.2 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q247 R256 L257 K262 I263 N264 | Q247-A260 HydrophobicContact CB-CB 4.43Å; Q247-A260 HydrophobicContact CG-CB 3.73Å; Q247-A260 PolarHBondContact NE2-O 3.48Å; R256-A260 WeakPolarHBondContact O-CB 3.49Å; R256-A260 PolarHBondContact O-N 2.74Å; L257-A260 WeakPolarHBondContact O-CB 3.47Å; L257-A260 PolarHBondContact O-N 2.79Å; A260-K262 VanDerWaalsContact C-N 3.34Å; A260-K262 PolarHBondContact O-N 3.35Å; A260-I263 PolarHBondContact O-N 3.37Å; A260-N264 PolarHBondContact O-N 3.39Å |
| 261 | T | 75.2 | Confident | 76.7 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 31% | 0.307 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 175.5 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | L257 E259 L265 T560 | L257-T261 PolarHBondContact O-N 2.94Å; L257-T261 PolarHBondContact O-OG1 3.36Å; E259-T261 VanDerWaalsContact C-N 3.31Å; E259-T261 PolarHBondContact O-N 2.88Å; T261-L265 PolarHBondContact O-N 3.18Å; T261-T560 HydrophobicContact CG2-CG2 4.12Å; T261-T560 WeakPolarHBondContact OG1-CG2 3.45Å |
| 262 | K | 76.7 | Confident | 77.9 | Confident | 115 Ų | 115 | 45.4 Ų | 45.4 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74 | -30 | 179.9 | -72.9 | -174.9 | 176.3 | -174.6 | 0 | 113.5 | I145 K258 E259 A260 L265 | I145-K262 HydrophobicContact CG2-CB 3.73Å; I145-K262 HydrophobicContact CG2-CD 3.24Å; I145-K262 HydrophobicContact CG2-CG 4.14Å; K258-K262 WeakPolarHBondContact O-CG 3.32Å; K258-K262 PolarHBondContact O-N 2.88Å; E259-K262 CarbonylContact O-C 3.53Å; E259-K262 PolarHBondContact O-N 3.2Å; A260-K262 VanDerWaalsContact C-N 3.34Å; A260-K262 PolarHBondContact O-N 3.35Å; K262-L265 WeakPolarHBondContact O-CB 3.45Å; K262-L265 PolarHBondContact O-N 3.18Å |
| 263 | I | 72.7 | Confident | 79.2 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -47.6 | 173.7 | -67.2 | 156.7 | 0 | 0 | 0 | 109.7 | R210 A242 E259 A260 L265 S266 | R210-I263 HydrophobicContact CB-CD1 3.54Å; R210-I263 HydrophobicContact CB-CG1 4.34Å; R210-I263 HydrophobicContact CG-CD1 3.71Å; A242-I263 HydrophobicContact CB-CG2 4.25Å; E259-I263 HydrophobicContact CG-CD1 3.54Å; E259-I263 HydrophobicContact CG-CG1 4.33Å; E259-I263 WeakPolarHBondContact O-CG1 3.26Å; E259-I263 PolarHBondContact O-N 2.85Å; A260-I263 PolarHBondContact O-N 3.37Å; I263-L265 PolarHBondContact O-N 3.26Å; I263-S266 PolarHBondContact O-N 3.05Å; I263-S266 PolarHBondContact O-OG 3.5Å |
| 264 | N | 76.9 | Confident | 80.4 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -28.1 | 179.6 | -76.2 | 23 | 0 | 0 | 0 | 112.7 | Q247 A260 S266 L267 S268 | Q247-N264 WeakPolarHBondContact CG-ND2 3.34Å; Q247-N264 PolarHBondContact NE2-OD1 3.14Å; A260-N264 PolarHBondContact O-N 3.39Å; N264-S266 VanDerWaalsContact C-N 3.29Å; N264-S266 PolarHBondContact O-N 3.49Å; N264-L267 PolarHBondContact O-N 3.37Å; N264-S268 VanDerWaalsContact O-CB 3.3Å; N264-S268 WeakPolarHBondContact O-CB 3.49Å; N264-S268 PolarHBondContact O-N 3.22Å; N264-S268 PolarHBondContact O-OG 2.87Å; N264-S268 VanDerWaalsContact O-OG 3.08Å |
| 265 | L | 84.2 | Confident | 81.3 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 43% | 0.429 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -52.3 | -47 | 175.1 | 177.3 | 63.1 | 0 | 0 | 0 | 112 | E146 T261 K262 I263 A269 | E146-L265 HydrophobicContact CG-CD2 4.33Å; T261-L265 PolarHBondContact O-N 3.18Å; K262-L265 WeakPolarHBondContact O-CB 3.45Å; K262-L265 PolarHBondContact O-N 3.18Å; I263-L265 PolarHBondContact O-N 3.26Å; L265-A269 WeakPolarHBondContact O-CB 3.44Å; L265-A269 PolarHBondContact O-N 3Å |
| 266 | S | 89.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | -178.5 | 65 | 0 | 0 | 0 | 0 | 113.5 | E146 H212 I263 N264 L270 | E146-S266 WeakPolarHBondContact OE1-CB 3.41Å; H212-S266 PolarHBondContact NE2-OG 3.3Å; I263-S266 PolarHBondContact O-N 3.05Å; I263-S266 PolarHBondContact O-OG 3.5Å; N264-S266 VanDerWaalsContact C-N 3.29Å; N264-S266 PolarHBondContact O-N 3.49Å; S266-L270 WeakPolarHBondContact O-CB 3.4Å; S266-L270 PolarHBondContact O-N 3.37Å |
| 267 | L | 88.6 | Confident | 83.5 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76 | -38 | 179.8 | -68.3 | 179.6 | 0 | 0 | 0 | 112.2 | Y91 G243 N264 L270 G271 | Y91-L267 HydrophobicContact CD2-CD2 4.44Å; Y91-L267 HydrophobicContact CE2-CD2 4.07Å; G243-L267 VanDerWaalsContact O-CD1 3.24Å; G243-L267 WeakPolarHBondContact O-CD1 3.48Å; N264-L267 PolarHBondContact O-N 3.37Å; L267-L270 WeakPolarHBondContact O-CB 3.43Å; L267-L270 PolarHBondContact O-N 2.99Å; L267-G271 PolarHBondContact O-N 3.12Å |
| 268 | S | 87 | Confident | 84.5 | Confident | 37 Ų | 37 | 31.9 Ų | 31.9 | 26% | 0.259 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 173.1 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | N264 L270 G271 N272 Y557 | N264-S268 VanDerWaalsContact O-CB 3.3Å; N264-S268 WeakPolarHBondContact O-CB 3.49Å; N264-S268 PolarHBondContact O-N 3.22Å; N264-S268 PolarHBondContact O-OG 2.87Å; N264-S268 VanDerWaalsContact O-OG 3.08Å; S268-L270 VanDerWaalsContact C-N 3.33Å; S268-L270 PolarHBondContact O-N 2.92Å; S268-G271 PolarHBondContact O-N 3.34Å; S268-G271 VanDerWaalsContact O-N 3.15Å; S268-N272 PolarHBondContact O-N 3.31Å; S268-Y557 PolarHBondContact OG-OH 3.41Å |
| 269 | A | 90.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L265 G271 N272 V273 D289 T293 | L265-A269 WeakPolarHBondContact O-CB 3.44Å; L265-A269 PolarHBondContact O-N 3Å; A269-G271 VanDerWaalsContact C-N 3.33Å; A269-G271 PolarHBondContact O-N 3.37Å; A269-N272 PolarHBondContact O-N 3.3Å; A269-V273 WeakPolarHBondContact O-CG2 3.24Å; A269-V273 PolarHBondContact O-N 3.32Å; A269-D289 HydrophobicContact CB-CB 3.87Å; A269-T293 HydrophobicContact CB-CG2 4.31Å |
| 270 | L | 92.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 174 | -165.4 | 68.2 | 0 | 0 | 0 | 111.1 | L241 S266 L267 S268 N272 V273 I274 L292 T293 L296 L300 Y328 | L241-L270 HydrophobicContact CD1-CD2 4.17Å; S266-L270 WeakPolarHBondContact O-CB 3.4Å; S266-L270 PolarHBondContact O-N 3.37Å; L267-L270 WeakPolarHBondContact O-CB 3.43Å; L267-L270 PolarHBondContact O-N 2.99Å; S268-L270 VanDerWaalsContact C-N 3.33Å; S268-L270 PolarHBondContact O-N 2.92Å; L270-N272 VanDerWaalsContact C-N 3.33Å; L270-N272 PolarHBondContact O-N 3.44Å; L270-V273 PolarHBondContact O-N 2.78Å; L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 2.88Å; L270-L292 HydrophobicContact CD2-CD2 4.39Å; L270-T293 HydrophobicContact CB-CG2 4.04Å; L270-T293 HydrophobicContact CD1-CG2 3.72Å; L270-L296 HydrophobicContact CD1-CD1 4.5Å; L270-L300 HydrophobicContact CD1-CD1 3.4Å; L270-L300 VanDerWaalsContact CD1-CD1 3.4Å; L270-L300 HydrophobicContact CG-CD1 4.45Å; L270-Y328 WeakPolarHBondContact CD2-OH 3.23Å; L270-Y328 WeakPolarHBondContact CG-OH 3.42Å |
| 271 | G | 90.6 | Very high | 86.1 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | L267 S268 A269 S275 | L267-G271 PolarHBondContact O-N 3.12Å; S268-G271 PolarHBondContact O-N 3.34Å; S268-G271 VanDerWaalsContact O-N 3.15Å; A269-G271 VanDerWaalsContact C-N 3.33Å; A269-G271 PolarHBondContact O-N 3.37Å; G271-S275 PolarHBondContact O-N 3.27Å; G271-S275 PolarHBondContact O-OG 2.9Å |
| 272 | N | 90.6 | Very high | 86.3 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 175.4 | -69.9 | -14.3 | 0 | 0 | 0 | 111.7 | S268 A269 L270 I274 S275 A276 P286 | S268-N272 PolarHBondContact O-N 3.31Å; A269-N272 PolarHBondContact O-N 3.3Å; L270-N272 VanDerWaalsContact C-N 3.33Å; L270-N272 PolarHBondContact O-N 3.44Å; N272-I274 PolarHBondContact O-N 3.48Å; N272-S275 PolarHBondContact O-N 3.45Å; N272-A276 WeakPolarHBondContact O-CB 3.45Å; N272-A276 PolarHBondContact O-N 3.24Å; N272-P286 HydrophobicContact CB-CG 4.34Å |
| 273 | V | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 174.7 | 167.5 | 0 | 0 | 0 | 0 | 110.9 | A269 L270 S275 A276 L277 I285 P286 Y287 T293 | A269-V273 WeakPolarHBondContact O-CG2 3.24Å; A269-V273 PolarHBondContact O-N 3.32Å; L270-V273 PolarHBondContact O-N 2.78Å; V273-S275 PolarHBondContact O-N 2.81Å; V273-A276 PolarHBondContact O-N 2.91Å; V273-L277 HydrophobicContact CG1-CD1 3.76Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 WeakPolarHBondContact O-CB 3.5Å; V273-L277 VanDerWaalsContact O-CG 3.26Å; V273-L277 WeakPolarHBondContact O-CG 3.22Å; V273-L277 PolarHBondContact O-N 3.37Å; V273-I285 HydrophobicContact CB-CG2 4.37Å; V273-I285 HydrophobicContact CG1-CG2 3.83Å; V273-I285 HydrophobicContact CG2-CG2 4.27Å; V273-P286 HydrophobicContact CG2-CG 4.06Å; V273-Y287 HydrophobicContact CG1-CD1 3.85Å; V273-Y287 HydrophobicContact CG1-CE1 3.52Å; V273-Y287 HydrophobicContact CG2-CD1 4.23Å; V273-T293 HydrophobicContact CG2-CG2 3.94Å |
| 274 | I | 92.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.1 | -66.5 | -174.4 | 0 | 0 | 0 | 111.1 | L270 N272 A276 L277 V278 Y328 R331 A332 I335 | L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 2.88Å; N272-I274 PolarHBondContact O-N 3.48Å; I274-A276 PolarHBondContact O-N 2.98Å; I274-L277 PolarHBondContact O-N 3.5Å; I274-V278 HydrophobicContact CG2-CG2 4.25Å; I274-V278 VanDerWaalsContact O-CG2 3.23Å; I274-V278 WeakPolarHBondContact O-CG2 3.41Å; I274-V278 PolarHBondContact O-N 2.9Å; I274-Y328 HydrophobicContact CD1-CD1 4.27Å; I274-Y328 HydrophobicContact CD1-CE1 3.39Å; I274-Y328 HydrophobicContact CD1-CE2 4.23Å; I274-Y328 VanDerWaalsContact CD1-OH 3.23Å; I274-Y328 WeakPolarHBondContact CD1-OH 3.23Å; I274-R331 HydrophobicContact CG2-CB 3.86Å; I274-A332 HydrophobicContact CD1-CB 4.07Å; I274-I335 HydrophobicContact CB-CD1 4.13Å; I274-I335 HydrophobicContact CD1-CD1 4.12Å; I274-I335 HydrophobicContact CG1-CD1 3.66Å; I274-I335 HydrophobicContact CG2-CD1 3.89Å; I274-I335 HydrophobicContact CG2-CG1 4.22Å |
| 275 | S | 89.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | -179.1 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | G271 N272 V273 L277 V278 D279 R331 | G271-S275 PolarHBondContact O-N 3.27Å; G271-S275 PolarHBondContact O-OG 2.9Å; N272-S275 PolarHBondContact O-N 3.45Å; V273-S275 PolarHBondContact O-N 2.81Å; S275-L277 VanDerWaalsContact C-N 3.35Å; S275-L277 PolarHBondContact O-N 2.88Å; S275-V278 PolarHBondContact O-N 3.33Å; S275-D279 WeakPolarHBondContact O-CB 3.29Å; S275-D279 PolarHBondContact O-N 3.28Å; S275-R331 PolarHBondContact OG-NH1 2.76Å |
| 276 | A | 91.2 | Very high | 88.7 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N272 V273 I274 G280 S282 I285 | N272-A276 WeakPolarHBondContact O-CB 3.45Å; N272-A276 PolarHBondContact O-N 3.24Å; V273-A276 PolarHBondContact O-N 2.91Å; I274-A276 PolarHBondContact O-N 2.98Å; A276-G280 PolarHBondContact O-N 3.5Å; A276-S282 WeakPolarHBondContact CA-OG 3.43Å; A276-S282 WeakPolarHBondContact CB-OG 3.48Å; A276-S282 PolarHBondContact O-OG 3.19Å; A276-I285 HydrophobicContact CB-CD1 3.67Å |
| 277 | L | 91.6 | Very high | 88.9 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 178.2 | -74.7 | 170.5 | 0 | 0 | 0 | 113.1 | V273 I274 S275 I285 L300 I335 | V273-L277 HydrophobicContact CG1-CD1 3.76Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 WeakPolarHBondContact O-CB 3.5Å; V273-L277 VanDerWaalsContact O-CG 3.26Å; V273-L277 WeakPolarHBondContact O-CG 3.22Å; V273-L277 PolarHBondContact O-N 3.37Å; I274-L277 PolarHBondContact O-N 3.5Å; S275-L277 VanDerWaalsContact C-N 3.35Å; S275-L277 PolarHBondContact O-N 2.88Å; L277-I285 HydrophobicContact CD2-CD1 4.01Å; L277-I285 HydrophobicContact CD2-CG1 4.02Å; L277-I285 HydrophobicContact CD2-CG2 4.34Å; L277-I285 HydrophobicContact CG-CD1 4.29Å; L277-I285 HydrophobicContact CG-CG2 4.19Å; L277-L300 HydrophobicContact CD1-CB 4.17Å; L277-L300 WeakPolarHBondContact CD1-O 3.21Å; L277-I335 HydrophobicContact CB-CG1 4.43Å; L277-I335 HydrophobicContact CD1-CG2 4.09Å |
| 278 | V | 89.3 | Confident | 89.1 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.8 | -44.1 | -178.4 | 173 | 0 | 0 | 0 | 0 | 111.4 | I274 S275 G280 R331 N334 I335 | I274-V278 HydrophobicContact CG2-CG2 4.25Å; I274-V278 VanDerWaalsContact O-CG2 3.23Å; I274-V278 WeakPolarHBondContact O-CG2 3.41Å; I274-V278 PolarHBondContact O-N 2.9Å; S275-V278 PolarHBondContact O-N 3.33Å; V278-G280 PolarHBondContact O-N 3.49Å; V278-R331 VanDerWaalsContact CG2-O 3.23Å; V278-R331 WeakPolarHBondContact CG2-O 3.42Å; V278-N334 HydrophobicContact CG1-CB 3.83Å; V278-N334 HydrophobicContact CG2-CB 3.98Å; V278-I335 HydrophobicContact CG2-CG1 3.96Å |
| 279 | D | 86.2 | Confident | 89.2 | Confident | 106 Ų | 106 | 59.9 Ų | 59.9 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.1 | -33.4 | -179.2 | -76.3 | -14.7 | 0 | 0 | 0 | 111.7 | S275 K281 | S275-D279 WeakPolarHBondContact O-CB 3.29Å; S275-D279 PolarHBondContact O-N 3.28Å; D279-K281 PolarHBondContact O-N 3.31Å |
| 280 | G | 80.3 | Confident | 89.4 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 64% | 0.639 | 32% | 0.323 | S | S | * | . | trans | 63 | -1.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A276 V278 | A276-G280 PolarHBondContact O-N 3.5Å; V278-G280 PolarHBondContact O-N 3.49Å | ||
| 281 | K | 80.5 | Confident | 89.4 | Confident | 187 Ų | 187 | 63.3 Ų | 63.3 | 81% | 0.813 | 34% | 0.338 | S | S | * | . | trans | -78.5 | -31.8 | 178.3 | -66.5 | 174.4 | -173.4 | 171 | 0 | 112.1 | D279 | D279-K281 PolarHBondContact O-N 3.31Š| ||
| 282 | S | 79.1 | Confident | 89.6 | Confident | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | trans | -81.8 | 122.8 | 178.6 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | A276 | A276-S282 WeakPolarHBondContact CA-OG 3.43Å; A276-S282 WeakPolarHBondContact CB-OG 3.48Å; A276-S282 PolarHBondContact O-OG 3.19Å | ||
| 283 | T | 84.1 | Confident | 89.8 | Confident | 150 Ų | 150 | 58.8 Ų | 58.8 | 92% | 0.92 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -73.2 | -32.1 | 173.4 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 284 | H | 89.9 | Confident | 89.9 | Confident | 137 Ų | 137 | 60.4 Ų | 60.4 | 63% | 0.634 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -100.7 | 123.3 | 179.2 | 179.2 | -95.9 | 0 | 0 | 0 | 110.9 | ||
| 285 | I | 92.3 | Very high | 90 | Very high | 34 Ų | 34 | 61.8 Ų | 61.8 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | trans | -100.8 | 125.9 | 175.4 | -51.6 | -59.3 | 0 | 0 | 0 | 109 | V273 A276 L277 Y287 | V273-I285 HydrophobicContact CB-CG2 4.37Å; V273-I285 HydrophobicContact CG1-CG2 3.83Å; V273-I285 HydrophobicContact CG2-CG2 4.27Å; A276-I285 HydrophobicContact CB-CD1 3.67Å; L277-I285 HydrophobicContact CD2-CD1 4.01Å; L277-I285 HydrophobicContact CD2-CG1 4.02Å; L277-I285 HydrophobicContact CD2-CG2 4.34Å; L277-I285 HydrophobicContact CG-CD1 4.29Å; L277-I285 HydrophobicContact CG-CG2 4.19Å; I285-Y287 HydrophobicContact CB-CD2 3.83Å; I285-Y287 HydrophobicContact CB-CE2 3.47Å; I285-Y287 VanDerWaalsContact CB-CE2 3.47Å; I285-Y287 HydrophobicContact CG1-CE2 4.21Å; I285-Y287 HydrophobicContact CG2-CD1 4.34Å; I285-Y287 HydrophobicContact CG2-CD2 3.71Å; I285-Y287 HydrophobicContact CG2-CE1 4.01Å; I285-Y287 HydrophobicContact CG2-CE2 3.32Å; I285-Y287 HydrophobicContact CG2-CG 4.21Å; I285-Y287 VanDerWaalsContact CG2-CZ 3.49Å; I285-Y287 PolarHBondContact O-N 3.35Å | ||
| 286 | P | 93 | Very high | 90.2 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | trans | -79.9 | 50.6 | -170.7 | 33.8 | -37.6 | 0 | 0 | 0 | 113.9 | N272 V273 R288 D289 | N272-P286 HydrophobicContact CB-CG 4.34Å; V273-P286 HydrophobicContact CG2-CG 4.06Å; P286-R288 PolarHBondContact O-N 3.42Å; P286-R288 VanDerWaalsContact O-N 3.09Å; P286-D289 WeakPolarHBondContact CB-OD2 3.26Å; P286-D289 PolarHBondContact O-N 3.14Å | ||
| 287 | Y | 94.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -60 | -23.1 | 178.9 | -65.5 | -73.7 | 0 | 0 | 0 | 113.5 | V273 I285 D289 T293 R294 Q297 L300 | V273-Y287 HydrophobicContact CG1-CD1 3.85Å; V273-Y287 HydrophobicContact CG1-CE1 3.52Å; V273-Y287 HydrophobicContact CG2-CD1 4.23Å; I285-Y287 HydrophobicContact CB-CD2 3.83Å; I285-Y287 HydrophobicContact CB-CE2 3.47Å; I285-Y287 VanDerWaalsContact CB-CE2 3.47Å; I285-Y287 HydrophobicContact CG1-CE2 4.21Å; I285-Y287 HydrophobicContact CG2-CD1 4.34Å; I285-Y287 HydrophobicContact CG2-CD2 3.71Å; I285-Y287 HydrophobicContact CG2-CE1 4.01Å; I285-Y287 HydrophobicContact CG2-CE2 3.32Å; I285-Y287 HydrophobicContact CG2-CG 4.21Å; I285-Y287 VanDerWaalsContact CG2-CZ 3.49Å; I285-Y287 PolarHBondContact O-N 3.35Å; Y287-D289 VanDerWaalsContact C-N 3.34Å; Y287-T293 CarbonylContact O-C 3.59Å; Y287-T293 WeakPolarHBondContact O-CB 3.48Å; Y287-T293 PolarHBondContact O-OG1 3.3Å; Y287-R294 WeakPolarHBondContact O-CG 3.15Å; Y287-R294 PolarHBondContact O-N 3.32Å; Y287-Q297 HydrophobicContact CD1-CB 3.96Å; Y287-Q297 HydrophobicContact CD1-CG 3.88Å; Y287-Q297 HydrophobicContact CD2-CG 3.91Å; Y287-Q297 HydrophobicContact CE1-CB 4.28Å; Y287-Q297 HydrophobicContact CE1-CG 4.03Å; Y287-Q297 HydrophobicContact CE2-CG 4.04Å; Y287-Q297 HydrophobicContact CG-CB 4.23Å; Y287-Q297 HydrophobicContact CG-CG 3.82Å; Y287-L300 WeakPolarHBondContact CE1-O 3.38Å; Y287-L300 PolarHBondContact OH-O 2.7Å |
| 288 | R | 92.7 | Very high | 90.3 | Very high | 177 Ų | 177 | 64.2 Ų | 64.2 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -80.2 | -11.4 | -176 | -71.5 | -173.9 | 171.3 | -179.2 | -1.3 | 114.5 | E164 P286 S290 | E164-R288 IonicContact OE1-NH2 2.97Å; E164-R288 IonicContact OE2-NH2 3.7Å; E164-R288 PolarHBondContact OE2-NH2 3.11Å; P286-R288 PolarHBondContact O-N 3.42Å; P286-R288 VanDerWaalsContact O-N 3.09Å; R288-S290 PolarHBondContact O-N 3Å |
| 289 | D | 90.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -67 | -21 | -176.5 | -70.9 | 8.7 | 0 | 0 | 0 | 112.8 | A269 P286 Y287 | A269-D289 HydrophobicContact CB-CB 3.87Å; P286-D289 WeakPolarHBondContact CB-OD2 3.26Å; P286-D289 PolarHBondContact O-N 3.14Å; Y287-D289 VanDerWaalsContact C-N 3.34Å |
| 290 | S | 93.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | trans | -142.5 | 154.3 | 171.4 | 78.3 | 0 | 0 | 0 | 0 | 112.4 | E146 R288 L292 T293 R294 | E146-S290 WeakPolarHBondContact OE2-CA 3.39Å; R288-S290 PolarHBondContact O-N 3Å; S290-L292 VanDerWaalsContact C-N 3.27Å; S290-L292 PolarHBondContact O-N 3.34Å; S290-T293 PolarHBondContact N-OG1 2.93Å; S290-T293 PolarHBondContact O-OG1 2.92Å; S290-T293 WeakPolarHBondContact OG-CB 3.34Å; S290-T293 WeakPolarHBondContact OG-CG2 3.25Å; S290-T293 PolarHBondContact OG-N 3.3Å; S290-T293 PolarHBondContact OG-OG1 3.23Å; S290-R294 WeakPolarHBondContact O-CG 3.36Å; S290-R294 PolarHBondContact O-N 2.88Å | ||
| 291 | K | 93.9 | Very high | 91.1 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 32% | 0.317 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 172.1 | -62 | -53.6 | 178.9 | 178.2 | 0 | 111.7 | E146 V148 I162 R294 L295 | E146-K291 HydrophobicContact CB-CG 4.48Å; E146-K291 WeakPolarHBondContact O-CG 3.39Å; E146-K291 WeakPolarHBondContact OE2-CG 3.47Å; E146-K291 PolarHBondContact OE2-N 3.47Å; V148-K291 HydrophobicContact CG2-CB 4.22Å; V148-K291 HydrophobicContact CG2-CG 4.41Å; I162-K291 HydrophobicContact CD1-CB 3.7Å; I162-K291 HydrophobicContact CD1-CD 3.8Å; I162-K291 HydrophobicContact CD1-CG 4.19Å; I162-K291 WeakPolarHBondContact CD1-O 3.48Å; I162-K291 HydrophobicContact CG1-CD 4.35Å; K291-R294 PolarHBondContact O-N 3.01Å; K291-L295 WeakPolarHBondContact O-CG 3.4Å; K291-L295 PolarHBondContact O-N 3.26Å |
| 292 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 178 | 177.7 | 68 | 0 | 0 | 0 | 111.5 | I143 H212 I214 L241 L270 S290 R294 L295 L296 | I143-L292 HydrophobicContact CD1-CB 4.08Å; I143-L292 HydrophobicContact CD1-CD1 3.94Å; H212-L292 HydrophobicContact CB-CD1 4.29Å; I214-L292 HydrophobicContact CD1-CD1 4.21Å; L241-L292 HydrophobicContact CD2-CD1 3.91Å; L241-L292 HydrophobicContact CD2-CD2 3.85Å; L241-L292 HydrophobicContact CD2-CG 4.48Å; L270-L292 HydrophobicContact CD2-CD2 4.39Å; S290-L292 VanDerWaalsContact C-N 3.27Å; S290-L292 PolarHBondContact O-N 3.34Å; L292-R294 VanDerWaalsContact C-N 3.26Å; L292-R294 PolarHBondContact O-N 2.95Å; L292-L295 PolarHBondContact O-N 3.42Å; L292-L295 VanDerWaalsContact O-N 3.15Å; L292-L296 HydrophobicContact CD1-CD1 3.83Å; L292-L296 HydrophobicContact CD1-CG 4.31Å; L292-L296 HydrophobicContact CG-CD1 4.11Å; L292-L296 PolarHBondContact O-N 3.22Å |
| 293 | T | 94 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -29.3 | 179.1 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | A269 L270 V273 Y287 S290 L296 Q297 | A269-T293 HydrophobicContact CB-CG2 4.31Å; L270-T293 HydrophobicContact CB-CG2 4.04Å; L270-T293 HydrophobicContact CD1-CG2 3.72Å; V273-T293 HydrophobicContact CG2-CG2 3.94Å; Y287-T293 CarbonylContact O-C 3.59Å; Y287-T293 WeakPolarHBondContact O-CB 3.48Å; Y287-T293 PolarHBondContact O-OG1 3.3Å; S290-T293 PolarHBondContact N-OG1 2.93Å; S290-T293 PolarHBondContact O-OG1 2.92Å; S290-T293 WeakPolarHBondContact OG-CB 3.34Å; S290-T293 WeakPolarHBondContact OG-CG2 3.25Å; S290-T293 PolarHBondContact OG-N 3.3Å; S290-T293 PolarHBondContact OG-OG1 3.23Å; T293-L296 CarbonylContact O-C 3.56Å; T293-Q297 WeakPolarHBondContact O-CA 3.42Å; T293-Q297 PolarHBondContact O-N 2.81Å |
| 294 | R | 94.2 | Very high | 92.8 | Very high | 34 Ų | 34 | 39 Ų | 39 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -43.2 | 171.7 | -68.9 | -174.8 | 71.9 | -161.2 | -4.3 | 111.8 | I162 E164 V170 Y287 S290 K291 L292 Q297 | I162-R294 HydrophobicContact CD1-CB 4.37Å; E164-R294 IonicContact OE1-CZ 3.22Å; E164-R294 IonicContact OE1-NE 3.62Å; E164-R294 IonicContact OE1-NH2 3.67Å; E164-R294 PolarHBondContact OE1-NH2 2.87Å; V170-R294 WeakPolarHBondContact CG1-O 3.42Å; Y287-R294 WeakPolarHBondContact O-CG 3.15Å; Y287-R294 PolarHBondContact O-N 3.32Å; S290-R294 WeakPolarHBondContact O-CG 3.36Å; S290-R294 PolarHBondContact O-N 2.88Å; K291-R294 PolarHBondContact O-N 3.01Å; L292-R294 VanDerWaalsContact C-N 3.26Å; L292-R294 PolarHBondContact O-N 2.95Å; R294-Q297 VanDerWaalsContact O-CB 3.3Å; R294-Q297 WeakPolarHBondContact O-CB 3.47Å; R294-Q297 PolarHBondContact O-N 3.41Å |
| 295 | L | 94.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 15% | 0.152 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | 177.3 | -66.6 | 179 | 0 | 0 | 0 | 112.3 | L141 I143 I162 V170 V172 I214 K291 L292 Q297 | L141-L295 HydrophobicContact CD1-CD1 4.19Å; L141-L295 HydrophobicContact CD2-CD1 4.32Å; I143-L295 HydrophobicContact CD1-CD1 3.76Å; I143-L295 HydrophobicContact CG1-CD1 4.46Å; I162-L295 HydrophobicContact CD1-CD1 4.18Å; I162-L295 HydrophobicContact CD1-CD2 3.76Å; I162-L295 HydrophobicContact CD1-CG 3.69Å; I162-L295 HydrophobicContact CG1-CD2 4.17Å; I162-L295 HydrophobicContact CG2-CD2 4.32Å; V170-L295 HydrophobicContact CG1-CD2 4.41Å; V172-L295 HydrophobicContact CG2-CD1 4.37Å; V172-L295 HydrophobicContact CG2-CD2 3.56Å; I214-L295 HydrophobicContact CD1-CB 4.45Å; I214-L295 HydrophobicContact CD1-CD1 4.1Å; K291-L295 WeakPolarHBondContact O-CG 3.4Å; K291-L295 PolarHBondContact O-N 3.26Å; L292-L295 PolarHBondContact O-N 3.42Å; L292-L295 VanDerWaalsContact O-N 3.15Å; L295-Q297 VanDerWaalsContact C-N 3.31Å |
| 296 | L | 94 | Very high | 93.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 11 | 178.3 | -61.7 | -179.2 | 0 | 0 | 0 | 113.8 | V239 L270 L292 T293 D298 S299 L300 | V239-L296 HydrophobicContact CG2-CD2 4.23Å; L270-L296 HydrophobicContact CD1-CD1 4.5Å; L292-L296 HydrophobicContact CD1-CD1 3.83Å; L292-L296 HydrophobicContact CD1-CG 4.31Å; L292-L296 HydrophobicContact CG-CD1 4.11Å; L292-L296 PolarHBondContact O-N 3.22Å; T293-L296 CarbonylContact O-C 3.56Å; L296-D298 VanDerWaalsContact C-N 3.27Å; L296-D298 PolarHBondContact O-N 2.87Å; L296-S299 WeakPolarHBondContact O-CA 3.25Å; L296-S299 WeakPolarHBondContact O-CB 3.46Å; L296-S299 PolarHBondContact O-N 2.88Å; L296-L300 HydrophobicContact CB-CD1 4.4Å; L296-L300 PolarHBondContact O-N 3.44Å |
| 297 | Q | 92.9 | Very high | 93.5 | Very high | 69 Ų | 69 | 31 Ų | 31 | 32% | 0.322 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -39.7 | -178.3 | 179.3 | 177.7 | -17.1 | 0 | 0 | 111.8 | Y287 T293 R294 L295 | Y287-Q297 HydrophobicContact CD1-CB 3.96Å; Y287-Q297 HydrophobicContact CD1-CG 3.88Å; Y287-Q297 HydrophobicContact CD2-CG 3.91Å; Y287-Q297 HydrophobicContact CE1-CB 4.28Å; Y287-Q297 HydrophobicContact CE1-CG 4.03Å; Y287-Q297 HydrophobicContact CE2-CG 4.04Å; Y287-Q297 HydrophobicContact CG-CB 4.23Å; Y287-Q297 HydrophobicContact CG-CG 3.82Å; T293-Q297 WeakPolarHBondContact O-CA 3.42Å; T293-Q297 PolarHBondContact O-N 2.81Å; R294-Q297 VanDerWaalsContact O-CB 3.3Å; R294-Q297 WeakPolarHBondContact O-CB 3.47Å; R294-Q297 PolarHBondContact O-N 3.41Å; L295-Q297 VanDerWaalsContact C-N 3.31Å |
| 298 | D | 91.4 | Very high | 93.7 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 32% | 0.316 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -29.5 | 176.6 | -162.8 | 45.6 | 0 | 0 | 0 | 112.3 | N85 L296 G302 N303 T304 | N85-D298 PolarHBondContact ND2-OD2 3.3Å; N85-D298 VanDerWaalsContact ND2-OD2 3.15Å; L296-D298 VanDerWaalsContact C-N 3.27Å; L296-D298 PolarHBondContact O-N 2.87Å; D298-G302 CarbonylContact O-C 3.56Å; D298-G302 VanDerWaalsContact O-C 3.29Å; D298-G302 WeakPolarHBondContact O-CA 3.4Å; D298-G302 PolarHBondContact O-N 2.89Å; D298-N303 PolarHBondContact O-N 2.83Å; D298-N303 WeakPolarHBondContact OD1-CB 3.31Å; D298-N303 PolarHBondContact OD1-N 2.92Å; D298-T304 WeakPolarHBondContact O-CB 3.42Å; D298-T304 PolarHBondContact O-OG1 3.06Å; D298-T304 PolarHBondContact OD2-OG1 3.48Å; D298-T304 VanDerWaalsContact OD2-OG1 3.04Å |
| 299 | S | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -27.6 | 177.2 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | T87 L296 T306 N337 | T87-S299 PolarHBondContact OG1-OG 2.94Å; L296-S299 WeakPolarHBondContact O-CA 3.25Å; L296-S299 WeakPolarHBondContact O-CB 3.46Å; L296-S299 PolarHBondContact O-N 2.88Å; S299-T306 WeakPolarHBondContact O-CB 3.46Å; S299-T306 PolarHBondContact O-OG1 2.94Å; S299-N337 PolarHBondContact O-ND2 3.31Å |
| 300 | L | 91.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 94.9 | -174.5 | -62 | 174.2 | 0 | 0 | 0 | 110.6 | F89 L270 L277 Y287 L296 T306 I335 | F89-L300 HydrophobicContact CE1-CD2 4.11Å; F89-L300 HydrophobicContact CZ-CD2 4.29Å; L270-L300 HydrophobicContact CD1-CD1 3.4Å; L270-L300 VanDerWaalsContact CD1-CD1 3.4Å; L270-L300 HydrophobicContact CG-CD1 4.45Å; L277-L300 HydrophobicContact CD1-CB 4.17Å; L277-L300 WeakPolarHBondContact CD1-O 3.21Å; Y287-L300 WeakPolarHBondContact CE1-O 3.38Å; Y287-L300 PolarHBondContact OH-O 2.7Å; L296-L300 HydrophobicContact CB-CD1 4.4Å; L296-L300 PolarHBondContact O-N 3.44Å; L300-T306 HydrophobicContact CD2-CG2 4.46Å; L300-I335 HydrophobicContact CD2-CD1 4.13Å |
| 301 | G | 89.2 | Confident | 94.5 | Very high | 30 Ų | 30 | 17.1 Ų | 17.1 | 31% | 0.309 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 0.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N337 | G301-N337 WeakPolarHBondContact CA-OD1 3.47Å; G301-N337 PolarHBondContact N-OD1 3.04Å |
| 302 | G | 91.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 13.7 Ų | 13.7 | 18% | 0.175 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -108.1 | -151 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D298 T304 R338 | D298-G302 CarbonylContact O-C 3.56Å; D298-G302 VanDerWaalsContact O-C 3.29Å; D298-G302 WeakPolarHBondContact O-CA 3.4Å; D298-G302 PolarHBondContact O-N 2.89Å; G302-T304 PolarHBondContact O-N 2.91Å; G302-R338 PolarHBondContact O-N 3.06Å |
| 303 | N | 92.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 8% | 0.08 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -92.7 | 60.7 | -177.8 | 175.9 | 25.6 | 0 | 0 | 0 | 111.3 | N85 D298 P339 R340 N342 | N85-N303 WeakPolarHBondContact CB-O 3.48Å; N85-N303 PolarHBondContact ND2-O 3.04Å; N85-N303 VanDerWaalsContact ND2-O 3.08Å; D298-N303 PolarHBondContact O-N 2.83Å; D298-N303 WeakPolarHBondContact OD1-CB 3.31Å; D298-N303 PolarHBondContact OD1-N 2.92Å; N303-P339 WeakPolarHBondContact OD1-CA 3.37Å; N303-R340 HydrophobicContact CB-CG 4.47Å; N303-R340 WeakPolarHBondContact ND2-CG 3.38Å; N303-R340 PolarHBondContact ND2-NE 2.92Å; N303-R340 WeakPolarHBondContact OD1-CG 3.36Å; N303-R340 PolarHBondContact OD1-N 2.83Å; N303-R340 PolarHBondContact OD1-O 2.99Å; N303-N342 PolarHBondContact ND2-OD1 2.79Å |
| 304 | T | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -148.7 | 139.7 | 180 | -68.1 | 0 | 0 | 0 | 0 | 111 | N85 T87 D298 G302 N337 | N85-T304 HydrophobicContact CB-CG2 4.12Å; N85-T304 VanDerWaalsContact CB-OG1 3.3Å; N85-T304 WeakPolarHBondContact CB-OG1 3.18Å; T87-T304 WeakPolarHBondContact OG1-CG2 3.3Å; D298-T304 WeakPolarHBondContact O-CB 3.42Å; D298-T304 PolarHBondContact O-OG1 3.06Å; D298-T304 PolarHBondContact OD2-OG1 3.48Å; D298-T304 VanDerWaalsContact OD2-OG1 3.04Å; G302-T304 PolarHBondContact O-N 2.91Å; T304-N337 WeakPolarHBondContact O-CB 3.45Å; T304-N337 PolarHBondContact O-ND2 3.33Å | ||
| 305 | K | 95.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 12 Ų | 12 | 7% | 0.074 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.1 | 166.4 | -66.7 | -175.5 | -173.9 | 172.7 | 0 | 108.3 | L76 S79 Y84 N85 G86 T87 P339 | L76-K305 HydrophobicContact CD1-CB 3.42Å; L76-K305 VanDerWaalsContact CD1-CB 3.42Å; L76-K305 WeakPolarHBondContact CD1-O 3.42Å; S79-K305 VanDerWaalsContact CB-NZ 3.27Å; S79-K305 PolarHBondContact OG-NZ 3.16Å; Y84-K305 HydrophobicContact CG-CD 4.38Å; N85-K305 PolarHBondContact O-N 3.45Å; G86-K305 CarbonylContact C-O 3.57Å; G86-K305 WeakPolarHBondContact CA-O 3.22Å; T87-K305 PolarHBondContact N-O 3.29Å; K305-P339 HydrophobicContact CG-CB 3.57Å; K305-P339 HydrophobicContact CG-CG 3.85Å |
| 306 | T | 97 | Very high | 94.8 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.4 | -169 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V7 R8 T87 F89 S299 L300 N337 | V7-T306 HydrophobicContact CG1-CG2 4.06Å; V7-T306 HydrophobicContact CG2-CG2 4.42Å; R8-T306 PolarHBondContact N-O 2.87Å; T87-T306 HydrophobicContact CG2-CG2 4.35Å; T87-T306 CarbonylContact O-C 3.6Å; T87-T306 WeakPolarHBondContact O-CA 3.28Å; F89-T306 HydrophobicContact CD1-CG2 3.94Å; F89-T306 HydrophobicContact CE1-CG2 3.46Å; F89-T306 VanDerWaalsContact CE1-CG2 3.46Å; S299-T306 WeakPolarHBondContact O-CB 3.46Å; S299-T306 PolarHBondContact O-OG1 2.94Å; L300-T306 HydrophobicContact CD2-CG2 4.46Å; T306-N337 PolarHBondContact OG1-ND2 2.73Å |
| 307 | I | 97.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.7 | 171.8 | -61.8 | 172.7 | 0 | 0 | 0 | 108.1 | R8 V10 V72 L76 T87 V88 F89 I309 | R8-I307 HydrophobicContact CB-CG1 4.33Å; R8-I307 CarbonylContact O-C 3.42Å; R8-I307 WeakPolarHBondContact O-CA 3.33Å; V10-I307 HydrophobicContact CG2-CG2 4.35Å; V72-I307 HydrophobicContact CG1-CD1 3.7Å; V72-I307 HydrophobicContact CG1-CG1 4.24Å; V72-I307 HydrophobicContact CG1-CG2 4.04Å; L76-I307 HydrophobicContact CB-CD1 3.68Å; L76-I307 HydrophobicContact CD2-CD1 3.69Å; L76-I307 HydrophobicContact CD2-CG1 4.09Å; L76-I307 HydrophobicContact CG-CD1 4.22Å; T87-I307 PolarHBondContact O-N 2.69Å; V88-I307 WeakPolarHBondContact CA-O 3.04Å; V88-I307 HydrophobicContact CG2-CB 4.46Å; F89-I307 PolarHBondContact N-O 3.32Å; I307-I309 HydrophobicContact CG2-CG1 4.09Å |
| 308 | M | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.4 | 167.3 | 176.1 | 178.8 | 173.6 | 0 | 0 | 109.2 | V7 R8 V9 V10 F89 Y91 A310 Y328 A329 A332 | V7-M308 HydrophobicContact CG1-CB 4.35Å; R8-M308 PolarHBondContact O-N 3.39Å; V9-M308 HydrophobicContact CG2-CB 4.3Å; V10-M308 PolarHBondContact N-O 3.38Å; F89-M308 HydrophobicContact CD2-CB 4.41Å; F89-M308 HydrophobicContact CD2-CG 4.12Å; F89-M308 HydrophobicContact CE1-CB 4.15Å; F89-M308 HydrophobicContact CE2-CB 3.72Å; F89-M308 HydrophobicContact CE2-CG 3.42Å; F89-M308 VanDerWaalsContact CE2-CG 3.42Å; F89-M308 HydrophobicContact CE2-SD 3.89Å; F89-M308 HydrophobicContact CZ-CB 3.57Å; F89-M308 HydrophobicContact CZ-CG 3.78Å; F89-M308 HydrophobicContact CZ-SD 4.15Å; Y91-M308 HydrophobicContact CD1-CE 3.75Å; Y91-M308 HydrophobicContact CG-CE 3.91Å; M308-A310 HydrophobicContact CE-CB 4.22Å; M308-Y328 HydrophobicContact CE-CD1 3.55Å; M308-Y328 HydrophobicContact CE-CE1 3.94Å; M308-Y328 HydrophobicContact SD-CD1 4.25Å; M308-Y328 HydrophobicContact SD-CE1 4.32Å; M308-A329 HydrophobicContact CE-CB 3.92Å; M308-A329 HydrophobicContact SD-CB 4.41Å; M308-A332 HydrophobicContact SD-CB 3.57Å; M308-A332 VanDerWaalsContact SD-CB 3.57Å |
| 309 | I | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 107 | 171.5 | -55.3 | 172.3 | 0 | 0 | 0 | 108.2 | V10 L68 V88 F89 A90 Y91 T101 I114 I307 C311 | V10-I309 CarbonylContact O-C 3.55Å; V10-I309 WeakPolarHBondContact O-CA 3.45Å; L68-I309 HydrophobicContact CD1-CG2 4.45Å; L68-I309 HydrophobicContact CD2-CD1 4.06Å; V88-I309 HydrophobicContact CG1-CD1 3.63Å; V88-I309 HydrophobicContact CG1-CG1 4.26Å; F89-I309 PolarHBondContact O-N 2.78Å; A90-I309 CarbonylContact C-O 3.59Å; A90-I309 WeakPolarHBondContact CA-O 3.35Å; Y91-I309 PolarHBondContact N-O 2.84Å; T101-I309 HydrophobicContact CG2-CD1 4.18Å; T101-I309 HydrophobicContact CG2-CG2 4.24Å; I114-I309 HydrophobicContact CD1-CD1 3.24Å; I307-I309 HydrophobicContact CG2-CG1 4.09Å; I309-C311 PolarHBondContact O-N 2.88Å |
| 310 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 108.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V10 V11 R12 Y91 M308 T325 A329 | V10-A310 PolarHBondContact O-N 3.39Å; V11-A310 WeakPolarHBondContact CA-O 3.4Å; V11-A310 HydrophobicContact CG2-CB 4.1Å; R12-A310 PolarHBondContact N-O 3.25Å; Y91-A310 WeakPolarHBondContact O-CA 3.46Å; M308-A310 HydrophobicContact CE-CB 4.22Å; A310-T325 HydrophobicContact CB-CG2 3.99Å; A310-A329 HydrophobicContact CB-CB 3.92Å |
| 311 | C | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.6 | 178.9 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | R12 Y91 S96 K98 I309 | R12-C311 WeakPolarHBondContact O-CA 3.39Å; Y91-C311 PolarHBondContact O-N 3.27Å; S96-C311 WeakPolarHBondContact CB-O 3.45Å; S96-C311 VanDerWaalsContact OG-CB 3.28Å; S96-C311 WeakPolarHBondContact OG-CB 3.39Å; S96-C311 PolarHBondContact OG-O 2.92Å; K98-C311 HydrophobicContact CG-CB 3.98Å; I309-C311 PolarHBondContact O-N 2.88Å |
| 312 | L | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.1 | -173.3 | -54.4 | 178 | 0 | 0 | 0 | 112.4 | V11 R12 R14 L29 T325 L326 | V11-L312 HydrophobicContact CG1-CD1 3.37Å; V11-L312 HydrophobicContact CG1-CG 4.08Å; R12-L312 PolarHBondContact O-N 3.02Å; R14-L312 PolarHBondContact N-O 2.85Å; L29-L312 HydrophobicContact CD1-CB 3.6Å; L29-L312 HydrophobicContact CD1-CD1 3.95Å; L29-L312 HydrophobicContact CD1-CG 4.41Å; L29-L312 HydrophobicContact CD2-CD1 4.47Å; L312-T325 HydrophobicContact CD2-CG2 3.49Å; L312-T325 VanDerWaalsContact CD2-CG2 3.49Å; L312-L326 HydrophobicContact CD1-CD1 4.25Å; L312-L326 HydrophobicContact CD1-CD2 3.7Å; L312-L326 HydrophobicContact CD1-CG 3.91Å; L312-L326 HydrophobicContact CD2-CG 4.18Å |
| 313 | S | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -96.6 | 134.7 | 164.5 | 171.3 | 0 | 0 | 0 | 0 | 109.7 | R14 E20 L29 A315 N318 S322 | R14-S313 PolarHBondContact NH2-OG 2.9Å; E20-S313 PolarHBondContact OE1-OG 3.25Å; L29-S313 VanDerWaalsContact CD1-O 3.23Å; L29-S313 WeakPolarHBondContact CD1-O 3.33Å; S313-A315 VanDerWaalsContact C-N 3.28Å; S313-A315 PolarHBondContact O-N 3.3Å; S313-A315 PolarHBondContact OG-N 3.31Å; S313-N318 PolarHBondContact OG-ND2 2.89Å; S313-N318 VanDerWaalsContact OG-ND2 3.1Å; S313-S322 PolarHBondContact N-OG 3.01Å; S313-S322 PolarHBondContact O-OG 3.2Å | ||
| 314 | P | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -80.2 | -6.3 | 177.6 | 36.6 | -39.9 | 0 | 0 | 0 | 113.6 | R14 L16 Y27 V28 L29 | R14-P314 WeakPolarHBondContact O-CD 3.41Å; R14-P314 WeakPolarHBondContact O-CG 3.46Å; L16-P314 HydrophobicContact CD2-CG 3.9Å; L16-P314 HydrophobicContact CG-CG 4.23Å; Y27-P314 CarbonylContact C-O 3.58Å; Y27-P314 WeakPolarHBondContact CA-O 3.33Å; Y27-P314 HydrophobicContact CD1-CB 3.57Å; Y27-P314 HydrophobicContact CD1-CG 4.1Å; Y27-P314 HydrophobicContact CE1-CB 3.85Å; Y27-P314 HydrophobicContact CE1-CG 3.88Å; V28-P314 WeakPolarHBondContact CG2-O 3.46Å; V28-P314 PolarHBondContact N-O 2.99Å; L29-P314 HydrophobicContact CB-CB 4.32Å | ||
| 315 | A | 95 | Very high | 95 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | B | Isolated β-bridge | trans | -73.3 | 138.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L16 E20 C25 S313 Y317 N318 Y319 | L16-A315 HydrophobicContact CD2-CB 3.66Å; E20-A315 HydrophobicContact CB-CB 4.34Å; E20-A315 HydrophobicContact CG-CB 3.86Å; C25-A315 HydrophobicContact CB-CB 3.98Å; S313-A315 VanDerWaalsContact C-N 3.28Å; S313-A315 PolarHBondContact O-N 3.3Å; S313-A315 PolarHBondContact OG-N 3.31Å; A315-Y317 VanDerWaalsContact C-N 3.27Å; A315-Y317 PolarHBondContact O-N 2.96Å; A315-N318 HydrophobicContact CB-CB 4.45Å; A315-N318 CarbonylContact O-C 3.56Å; A315-N318 WeakPolarHBondContact O-CA 3.37Å; A315-N318 WeakPolarHBondContact O-CB 3.38Å; A315-N318 PolarHBondContact O-N 2.93Å; A315-Y319 PolarHBondContact O-N 3.41Å |
| 316 | D | 94.6 | Very high | 95 | Very high | 43 Ų | 43 | 15.1 Ų | 15.1 | 23% | 0.23 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -51 | -41 | 170.4 | 51.8 | 7.8 | 0 | 0 | 0 | 114.1 | C25 T26 V28 P43 N318 Y319 | C25-D316 WeakPolarHBondContact CA-OD1 3.26Å; C25-D316 VanDerWaalsContact CB-OD1 3.27Å; C25-D316 WeakPolarHBondContact CB-OD1 3.3Å; C25-D316 PolarHBondContact SG-OD1 2.81Å; T26-D316 VanDerWaalsContact N-CG 3.34Å; T26-D316 PolarHBondContact N-OD1 3.05Å; T26-D316 PolarHBondContact N-OD2 3.31Å; T26-D316 PolarHBondContact O-N 3.18Å; T26-D316 PolarHBondContact OG1-OD2 3.45Å; V28-D316 HydrophobicContact CG1-CB 3.66Å; P43-D316 HydrophobicContact CB-CB 3.95Å; P43-D316 HydrophobicContact CG-CB 4.19Å; D316-N318 PolarHBondContact O-N 3.31Å; D316-N318 VanDerWaalsContact O-N 3.1Å; D316-Y319 VanDerWaalsContact O-CB 3.24Å; D316-Y319 WeakPolarHBondContact O-CB 3.29Å; D316-Y319 PolarHBondContact O-N 3.37Å |
| 317 | Y | 91.8 | Very high | 94.8 | Very high | 139 Ų | 139 | 16 Ų | 16 | 55% | 0.545 | 7% | 0.074 | S | C | . | . | G | 310 helix | trans | -55.7 | -27.2 | 174.2 | 179.8 | -102.2 | 0 | 0 | 0 | 113.3 | K249 A315 | K249-Y317 PolarHBondContact NZ-O 3.04Å; A315-Y317 VanDerWaalsContact C-N 3.27Å; A315-Y317 PolarHBondContact O-N 2.96Å |
| 318 | N | 92.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 5% | 0.048 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -104.4 | 4.7 | -177.7 | -73 | -40.1 | 0 | 0 | 0 | 113.6 | E20 Q93 S313 A315 D316 E320 E321 S322 | E20-N318 PolarHBondContact OE1-ND2 2.81Å; Q93-N318 VanDerWaalsContact NE2-CG 3.28Å; Q93-N318 PolarHBondContact NE2-OD1 2.71Å; Q93-N318 VanDerWaalsContact OE1-CB 3.24Å; Q93-N318 VanDerWaalsContact OE1-CG 3.3Å; Q93-N318 PolarHBondContact OE1-OD1 3.4Å; S313-N318 PolarHBondContact OG-ND2 2.89Å; S313-N318 VanDerWaalsContact OG-ND2 3.1Å; A315-N318 HydrophobicContact CB-CB 4.45Å; A315-N318 CarbonylContact O-C 3.56Å; A315-N318 WeakPolarHBondContact O-CA 3.37Å; A315-N318 WeakPolarHBondContact O-CB 3.38Å; A315-N318 PolarHBondContact O-N 2.93Å; D316-N318 PolarHBondContact O-N 3.31Å; D316-N318 VanDerWaalsContact O-N 3.1Å; N318-E320 VanDerWaalsContact C-N 3.31Å; N318-E320 PolarHBondContact O-N 2.72Å; N318-E321 PolarHBondContact O-N 3.06Å; N318-S322 PolarHBondContact O-N 3.03Å |
| 319 | Y | 93.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 16.2 Ų | 16.2 | 4% | 0.039 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -45.3 | -51.5 | -177.7 | 169 | -99.2 | 0 | 0 | 0 | 113.4 | V28 I40 A41 N42 P43 A315 D316 E321 S322 L323 | V28-Y319 HydrophobicContact CB-CD2 4.42Å; V28-Y319 HydrophobicContact CG2-CD2 4.27Å; I40-Y319 HydrophobicContact CD1-CD2 3.65Å; I40-Y319 HydrophobicContact CD1-CE2 3.75Å; I40-Y319 HydrophobicContact CG1-CD2 3.75Å; I40-Y319 HydrophobicContact CG1-CE2 3.67Å; A41-Y319 WeakPolarHBondContact O-CD2 3.39Å; A41-Y319 VanDerWaalsContact O-CE2 3.22Å; A41-Y319 WeakPolarHBondContact O-CE2 3.46Å; N42-Y319 HydrophobicContact CB-CE1 4.41Å; N42-Y319 HydrophobicContact CB-CE2 4.17Å; N42-Y319 WeakPolarHBondContact CB-OH 3.43Å; P43-Y319 VanDerWaalsContact CD-CD2 3.42Å; P43-Y319 VanDerWaalsContact CD-CG 3.41Å; P43-Y319 HydrophobicContact CG-CD1 4.42Å; P43-Y319 HydrophobicContact CG-CD2 4.39Å; P43-Y319 HydrophobicContact CG-CG 3.99Å; A315-Y319 PolarHBondContact O-N 3.41Å; D316-Y319 VanDerWaalsContact O-CB 3.24Å; D316-Y319 WeakPolarHBondContact O-CB 3.29Å; D316-Y319 PolarHBondContact O-N 3.37Å; Y319-E321 VanDerWaalsContact C-N 3.32Å; Y319-E321 PolarHBondContact O-N 3.45Å; Y319-S322 PolarHBondContact O-N 3.15Å; Y319-L323 HydrophobicContact CE1-CD2 4.17Å; Y319-L323 WeakPolarHBondContact O-CB 3.42Å; Y319-L323 PolarHBondContact O-N 3.45Å |
| 320 | E | 90.5 | Very high | 94.3 | Very high | 66 Ų | 66 | 19.3 Ų | 19.3 | 31% | 0.308 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -60.1 | -39.2 | -176.9 | -69.1 | -66.4 | 148.4 | 0 | 0 | 113.1 | N318 S324 R552 | N318-E320 VanDerWaalsContact C-N 3.31Å; N318-E320 PolarHBondContact O-N 2.72Å; E320-S324 WeakPolarHBondContact O-CB 3.34Å; E320-S324 PolarHBondContact O-N 2.95Å; E320-R552 IonicContact OE1-NH2 2.76Å; E320-R552 IonicContact OE2-CZ 2.67Å; E320-R552 IonicContact OE2-NE 3.71Å; E320-R552 PolarHBondContact OE2-NE 2.92Å; E320-R552 IonicContact OE2-NH2 3.58Å; E320-R552 PolarHBondContact OE2-NH2 3.33Å |
| 321 | E | 92.1 | Very high | 94 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -78.4 | -38.2 | -177.5 | -56.7 | -62.2 | 172.8 | 0 | 0 | 111.1 | Q93 E245 R246 K249 N318 Y319 S324 T325 | Q93-E321 HydrophobicContact CB-CB 4.17Å; Q93-E321 HydrophobicContact CG-CB 4.43Å; E245-E321 WeakPolarHBondContact CA-OE2 3.11Å; E245-E321 HydrophobicContact CB-CG 4.31Å; R246-E321 PolarHBondContact N-OE1 2.95Å; K249-E321 HydrophobicContact CD-CG 4.32Å; K249-E321 WeakPolarHBondContact CD-OE1 3.34Å; K249-E321 WeakPolarHBondContact CE-OE1 3.17Å; K249-E321 IonicContact NZ-OE1 3.26Å; N318-E321 PolarHBondContact O-N 3.06Å; Y319-E321 VanDerWaalsContact C-N 3.32Å; Y319-E321 PolarHBondContact O-N 3.45Å; E321-S324 PolarHBondContact O-N 3Å; E321-T325 WeakPolarHBondContact O-CB 3.36Å; E321-T325 PolarHBondContact O-N 3.32Å; E321-T325 PolarHBondContact O-OG1 2.83Å |
| 322 | S | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 172.5 | -72.1 | 0 | 0 | 0 | 0 | 111.1 | S313 N318 Y319 T325 L326 | S313-S322 PolarHBondContact N-OG 3.01Å; S313-S322 PolarHBondContact O-OG 3.2Å; N318-S322 PolarHBondContact O-N 3.03Å; Y319-S322 PolarHBondContact O-N 3.15Å; S322-T325 PolarHBondContact O-N 3.49Å; S322-L326 VanDerWaalsContact O-CG 3.3Å; S322-L326 WeakPolarHBondContact O-CG 3.42Å; S322-L326 PolarHBondContact O-N 3.38Å |
| 323 | L | 93.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.9 | -180 | 61.9 | 0 | 0 | 0 | 111.8 | I40 K51 F53 Y319 T325 L326 R327 E549 | I40-L323 HydrophobicContact CD1-CB 4.02Å; I40-L323 HydrophobicContact CG2-CD1 4.04Å; K51-L323 HydrophobicContact CD-CD1 3.78Å; F53-L323 HydrophobicContact CE2-CD1 4.01Å; F53-L323 HydrophobicContact CZ-CD1 3.91Å; Y319-L323 HydrophobicContact CE1-CD2 4.17Å; Y319-L323 WeakPolarHBondContact O-CB 3.42Å; Y319-L323 PolarHBondContact O-N 3.45Å; L323-T325 VanDerWaalsContact C-N 3.29Å; L323-T325 PolarHBondContact O-N 3Å; L323-L326 PolarHBondContact O-N 3.46Å; L323-R327 HydrophobicContact CD1-CG 4.49Å; L323-R327 WeakPolarHBondContact O-CG 3.36Å; L323-R327 PolarHBondContact O-N 2.95Å; L323-E549 WeakPolarHBondContact CD2-OE1 3.27Å |
| 324 | S | 92 | Very high | 93.5 | Very high | 31 Ų | 31 | 29.1 Ų | 29.1 | 22% | 0.217 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 177.2 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | E320 E321 R327 Y328 | E320-S324 WeakPolarHBondContact O-CB 3.34Å; E320-S324 PolarHBondContact O-N 2.95Å; E321-S324 PolarHBondContact O-N 3Å; S324-R327 PolarHBondContact O-N 3.28Å; S324-Y328 VanDerWaalsContact O-CB 3.31Å; S324-Y328 WeakPolarHBondContact O-CB 3.36Å; S324-Y328 PolarHBondContact O-N 3.04Å |
| 325 | T | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.9 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | Y91 A310 L312 E321 S322 L323 Y328 A329 | Y91-T325 HydrophobicContact CD1-CG2 3.86Å; Y91-T325 HydrophobicContact CE1-CG2 4.06Å; A310-T325 HydrophobicContact CB-CG2 3.99Å; L312-T325 HydrophobicContact CD2-CG2 3.49Å; L312-T325 VanDerWaalsContact CD2-CG2 3.49Å; E321-T325 WeakPolarHBondContact O-CB 3.36Å; E321-T325 PolarHBondContact O-N 3.32Å; E321-T325 PolarHBondContact O-OG1 2.83Å; S322-T325 PolarHBondContact O-N 3.49Å; L323-T325 VanDerWaalsContact C-N 3.29Å; L323-T325 PolarHBondContact O-N 3Å; T325-Y328 WeakPolarHBondContact O-CB 3.47Å; T325-Y328 PolarHBondContact O-N 2.79Å; T325-A329 VanDerWaalsContact O-CB 3.27Å; T325-A329 WeakPolarHBondContact O-CB 3.31Å; T325-A329 PolarHBondContact O-N 3.34Å |
| 326 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.6 | -75.6 | 166.5 | 0 | 0 | 0 | 112.2 | V11 L29 C38 I40 F53 F55 L312 S322 L323 Y328 A329 N330 | V11-L326 HydrophobicContact CG2-CD2 4.14Å; L29-L326 HydrophobicContact CD2-CD1 4.23Å; C38-L326 HydrophobicContact CB-CD2 4.26Å; I40-L326 HydrophobicContact CB-CD1 4.13Å; I40-L326 HydrophobicContact CD1-CD1 4.12Å; I40-L326 HydrophobicContact CG2-CD1 3.98Å; F53-L326 HydrophobicContact CB-CD2 4.37Å; F53-L326 HydrophobicContact CD1-CB 4.35Å; F53-L326 HydrophobicContact CD2-CB 4.01Å; F53-L326 HydrophobicContact CD2-CD1 3.87Å; F53-L326 HydrophobicContact CD2-CD2 4.3Å; F53-L326 HydrophobicContact CD2-CG 4.3Å; F53-L326 HydrophobicContact CE1-CB 4.3Å; F53-L326 HydrophobicContact CE2-CB 3.95Å; F53-L326 HydrophobicContact CE2-CD1 3.97Å; F53-L326 HydrophobicContact CG-CB 4.21Å; F53-L326 HydrophobicContact CG-CD2 4.37Å; F53-L326 HydrophobicContact CZ-CB 4.1Å; F55-L326 HydrophobicContact CE2-CD2 3.48Å; F55-L326 VanDerWaalsContact CE2-CD2 3.48Å; F55-L326 HydrophobicContact CZ-CD2 3.64Å; L312-L326 HydrophobicContact CD1-CD1 4.25Å; L312-L326 HydrophobicContact CD1-CD2 3.7Å; L312-L326 HydrophobicContact CD1-CG 3.91Å; L312-L326 HydrophobicContact CD2-CG 4.18Å; S322-L326 VanDerWaalsContact O-CG 3.3Å; S322-L326 WeakPolarHBondContact O-CG 3.42Å; S322-L326 PolarHBondContact O-N 3.38Å; L323-L326 PolarHBondContact O-N 3.46Å; L326-Y328 VanDerWaalsContact C-N 3.34Å; L326-Y328 PolarHBondContact O-N 3.43Å; L326-A329 PolarHBondContact O-N 3.44Å; L326-N330 WeakPolarHBondContact O-CB 3.23Å; L326-N330 PolarHBondContact O-N 3.26Å |
| 327 | R | 92.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 9% | 0.087 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 176 | -74 | 177.6 | 165.6 | -173.3 | -6.4 | 112 | F53 L323 S324 N330 R331 D542 D545 E549 | F53-R327 HydrophobicContact CE1-CG 4.18Å; F53-R327 HydrophobicContact CZ-CG 4.13Å; L323-R327 HydrophobicContact CD1-CG 4.49Å; L323-R327 WeakPolarHBondContact O-CG 3.36Å; L323-R327 PolarHBondContact O-N 2.95Å; S324-R327 PolarHBondContact O-N 3.28Å; R327-N330 PolarHBondContact O-N 2.93Å; R327-R331 PolarHBondContact O-N 3.29Å; R327-R331 VanDerWaalsContact O-N 3.15Å; R327-D542 PolarHBondContact NH2-O 3.41Å; R327-D542 IonicContact NH2-OD1 2.81Å; R327-D542 PolarHBondContact NH2-OD1 2.98Å; R327-D545 VanDerWaalsContact NH2-CB 3.29Å; R327-E549 IonicContact CZ-OE1 2.62Å; R327-E549 IonicContact CZ-OE2 3.36Å; R327-E549 IonicContact NE-OE1 3.41Å; R327-E549 IonicContact NH1-OE1 3.87Å; R327-E549 PolarHBondContact NH1-OE1 2.92Å; R327-E549 IonicContact NH1-OE2 2.67Å; R327-E549 PolarHBondContact NH1-OE2 2.8Å |
| 328 | Y | 93.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -49.8 | 174.7 | -170.5 | -79.6 | 0 | 0 | 0 | 111.5 | Y91 L270 I274 M308 S324 T325 L326 N330 R331 A332 | Y91-Y328 HydrophobicContact CD1-CD1 4.14Å; Y91-Y328 HydrophobicContact CD1-CE1 4.5Å; Y91-Y328 HydrophobicContact CD2-CE1 4.28Å; Y91-Y328 AromaticContact CE1-CD1 3.91Å; Y91-Y328 HydrophobicContact CE1-CD1 3.91Å; Y91-Y328 HydrophobicContact CE1-CD2 4.42Å; Y91-Y328 HydrophobicContact CE1-CE1 4.4Å; Y91-Y328 AromaticContact CE1-CG 3.91Å; Y91-Y328 HydrophobicContact CE1-CG 3.91Å; Y91-Y328 HydrophobicContact CE2-CD1 4.42Å; Y91-Y328 HydrophobicContact CE2-CE1 4.12Å; Y91-Y328 HydrophobicContact CE2-CE2 4.28Å; Y91-Y328 HydrophobicContact CG-CE1 4.46Å; Y91-Y328 AromaticContact CZ-CD2 3.99Å; Y91-Y328 AromaticContact CZ-CG 3.93Å; L270-Y328 WeakPolarHBondContact CD2-OH 3.23Å; L270-Y328 WeakPolarHBondContact CG-OH 3.42Å; I274-Y328 HydrophobicContact CD1-CD1 4.27Å; I274-Y328 HydrophobicContact CD1-CE1 3.39Å; I274-Y328 HydrophobicContact CD1-CE2 4.23Å; I274-Y328 VanDerWaalsContact CD1-OH 3.23Å; I274-Y328 WeakPolarHBondContact CD1-OH 3.23Å; M308-Y328 HydrophobicContact CE-CD1 3.55Å; M308-Y328 HydrophobicContact CE-CE1 3.94Å; M308-Y328 HydrophobicContact SD-CD1 4.25Å; M308-Y328 HydrophobicContact SD-CE1 4.32Å; S324-Y328 VanDerWaalsContact O-CB 3.31Å; S324-Y328 WeakPolarHBondContact O-CB 3.36Å; S324-Y328 PolarHBondContact O-N 3.04Å; T325-Y328 WeakPolarHBondContact O-CB 3.47Å; T325-Y328 PolarHBondContact O-N 2.79Å; L326-Y328 VanDerWaalsContact C-N 3.34Å; L326-Y328 PolarHBondContact O-N 3.43Å; Y328-N330 VanDerWaalsContact C-N 3.33Å; Y328-N330 PolarHBondContact O-N 3.46Å; Y328-R331 PolarHBondContact O-N 2.98Å; Y328-A332 PolarHBondContact O-N 3.28Å |
| 329 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V9 F55 M308 A310 T325 L326 R331 A332 K333 | V9-A329 HydrophobicContact CG1-CB 3.65Å; F55-A329 HydrophobicContact CE1-CB 3.66Å; F55-A329 HydrophobicContact CZ-CB 4.16Å; M308-A329 HydrophobicContact CE-CB 3.92Å; M308-A329 HydrophobicContact SD-CB 4.41Å; A310-A329 HydrophobicContact CB-CB 3.92Å; T325-A329 VanDerWaalsContact O-CB 3.27Å; T325-A329 WeakPolarHBondContact O-CB 3.31Å; T325-A329 PolarHBondContact O-N 3.34Å; L326-A329 PolarHBondContact O-N 3.44Å; A329-R331 VanDerWaalsContact C-N 3.32Å; A329-R331 PolarHBondContact O-N 2.98Å; A329-A332 WeakPolarHBondContact O-CB 3.37Å; A329-A332 PolarHBondContact O-N 3.19Å; A329-A332 VanDerWaalsContact O-N 3.17Å; A329-K333 PolarHBondContact O-N 3.3Å |
| 330 | N | 93.4 | Very high | 93.3 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 35% | 0.353 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 177.9 | -170.7 | 49.8 | 0 | 0 | 0 | 112.4 | F53 F55 L326 R327 Y328 N334 | F53-N330 HydrophobicContact CD1-CB 4.28Å; F55-N330 HydrophobicContact CE1-CB 4.42Å; L326-N330 WeakPolarHBondContact O-CB 3.23Å; L326-N330 PolarHBondContact O-N 3.26Å; R327-N330 PolarHBondContact O-N 2.93Å; Y328-N330 VanDerWaalsContact C-N 3.33Å; Y328-N330 PolarHBondContact O-N 3.46Å; N330-N334 PolarHBondContact O-ND2 3.11Å |
| 331 | R | 92.7 | Very high | 93.4 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.3 | -47.1 | 170.9 | -71.3 | -173.9 | -69.2 | 169.6 | -5.8 | 111.2 | I274 S275 V278 R327 Y328 A329 K333 N334 | I274-R331 HydrophobicContact CG2-CB 3.86Å; S275-R331 PolarHBondContact OG-NH1 2.76Å; V278-R331 VanDerWaalsContact CG2-O 3.23Å; V278-R331 WeakPolarHBondContact CG2-O 3.42Å; R327-R331 PolarHBondContact O-N 3.29Å; R327-R331 VanDerWaalsContact O-N 3.15Å; Y328-R331 PolarHBondContact O-N 2.98Å; A329-R331 VanDerWaalsContact C-N 3.32Å; A329-R331 PolarHBondContact O-N 2.98Å; R331-K333 PolarHBondContact O-N 3.1Å; R331-N334 PolarHBondContact O-N 3.1Å; R331-N334 VanDerWaalsContact O-N 3.08Å |
| 332 | A | 94.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.6 | -34.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V9 I274 M308 Y328 A329 N334 I335 | V9-A332 HydrophobicContact CG2-CB 4.17Å; I274-A332 HydrophobicContact CD1-CB 4.07Å; M308-A332 HydrophobicContact SD-CB 3.57Å; M308-A332 VanDerWaalsContact SD-CB 3.57Å; Y328-A332 PolarHBondContact O-N 3.28Å; A329-A332 WeakPolarHBondContact O-CB 3.37Å; A329-A332 PolarHBondContact O-N 3.19Å; A329-A332 VanDerWaalsContact O-N 3.17Å; A332-N334 PolarHBondContact O-N 3.22Å; A332-N334 VanDerWaalsContact O-N 3.09Å; A332-I335 HydrophobicContact CB-CD1 4.28Å; A332-I335 WeakPolarHBondContact O-CB 3.47Å; A332-I335 VanDerWaalsContact O-CG1 3.31Å; A332-I335 WeakPolarHBondContact O-CG1 3.24Å; A332-I335 PolarHBondContact O-N 3.06Å |
| 333 | K | 92.5 | Very high | 92.9 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.3 | 177.5 | -167.6 | -180 | -173.8 | 179 | 0 | 113.6 | C6 V9 T54 D56 A329 R331 | C6-K333 WeakPolarHBondContact CB-O 3.02Å; V9-K333 HydrophobicContact CB-CB 4.32Å; V9-K333 HydrophobicContact CG2-CB 3.81Å; V9-K333 HydrophobicContact CG2-CG 4.39Å; T54-K333 PolarHBondContact O-NZ 3.33Å; D56-K333 WeakPolarHBondContact OD1-CE 3.4Å; D56-K333 IonicContact OD1-NZ 3.32Å; A329-K333 PolarHBondContact O-N 3.3Å; R331-K333 PolarHBondContact O-N 3.1Å |
| 334 | N | 92.1 | Very high | 92.4 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.8 | -177.6 | -64.4 | -57.4 | 0 | 0 | 0 | 113.8 | V278 N330 R331 A332 R336 | V278-N334 HydrophobicContact CG1-CB 3.83Å; V278-N334 HydrophobicContact CG2-CB 3.98Å; N330-N334 PolarHBondContact O-ND2 3.11Å; R331-N334 PolarHBondContact O-N 3.1Å; R331-N334 VanDerWaalsContact O-N 3.08Å; A332-N334 PolarHBondContact O-N 3.22Å; A332-N334 VanDerWaalsContact O-N 3.09Å; N334-R336 PolarHBondContact O-N 3.14Å |
| 335 | I | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 130.7 | 175 | -60.6 | 169.2 | 0 | 0 | 0 | 109 | C6 V7 I274 L277 V278 L300 A332 | C6-I335 CarbonylContact C-O 3.52Å; C6-I335 VanDerWaalsContact CA-O 3.23Å; C6-I335 WeakPolarHBondContact CA-O 3.28Å; V7-I335 HydrophobicContact CB-CB 4.38Å; V7-I335 HydrophobicContact CG2-CB 3.71Å; V7-I335 HydrophobicContact CG2-CD1 4.44Å; V7-I335 HydrophobicContact CG2-CG2 3.79Å; V7-I335 PolarHBondContact N-O 2.94Å; I274-I335 HydrophobicContact CB-CD1 4.13Å; I274-I335 HydrophobicContact CD1-CD1 4.12Å; I274-I335 HydrophobicContact CG1-CD1 3.66Å; I274-I335 HydrophobicContact CG2-CD1 3.89Å; I274-I335 HydrophobicContact CG2-CG1 4.22Å; L277-I335 HydrophobicContact CB-CG1 4.43Å; L277-I335 HydrophobicContact CD1-CG2 4.09Å; V278-I335 HydrophobicContact CG2-CG1 3.96Å; L300-I335 HydrophobicContact CD2-CD1 4.13Å; A332-I335 HydrophobicContact CB-CD1 4.28Å; A332-I335 WeakPolarHBondContact O-CB 3.47Å; A332-I335 VanDerWaalsContact O-CG1 3.31Å; A332-I335 WeakPolarHBondContact O-CG1 3.24Å; A332-I335 PolarHBondContact O-N 3.06Å |
| 336 | R | 92.1 | Very high | 90.9 | Very high | 159 Ų | 159 | 57.6 Ų | 57.6 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.4 | 179.5 | -76.3 | -175.1 | -93.5 | -91.8 | 1.6 | 111.3 | N334 | N334-R336 PolarHBondContact O-N 3.14Å |
| 337 | N | 93.8 | Very high | 90 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 161.7 | 173 | -71.5 | 4.4 | 0 | 0 | 0 | 111.3 | S4 E5 S299 G301 T304 T306 P339 | S4-N337 WeakPolarHBondContact CA-O 3.44Å; E5-N337 PolarHBondContact N-O 3.02Å; E5-N337 PolarHBondContact O-N 3.45Å; S299-N337 PolarHBondContact O-ND2 3.31Å; G301-N337 WeakPolarHBondContact CA-OD1 3.47Å; G301-N337 PolarHBondContact N-OD1 3.04Å; T304-N337 WeakPolarHBondContact O-CB 3.45Å; T304-N337 PolarHBondContact O-ND2 3.33Å; T306-N337 PolarHBondContact OG1-ND2 2.73Å; N337-P339 VanDerWaalsContact C-CD 3.48Å |
| 338 | R | 93.9 | Very high | 89.3 | Confident | 161 Ų | 161 | 58.9 Ų | 58.9 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | trans | -126.8 | 68.9 | 177.8 | -64.7 | -175.9 | -179.6 | -162.6 | 0.3 | 111 | G302 R340 | G302-R338 PolarHBondContact O-N 3.06Å; R338-R340 PolarHBondContact O-N 3.35Å | ||
| 339 | P | 93.6 | Very high | 88.8 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | trans | -64.1 | 134.2 | 179.1 | 28.6 | -34.9 | 0 | 0 | 0 | 111.3 | E5 Y84 N303 K305 N337 | E5-P339 HydrophobicContact CB-CG 4.19Å; Y84-P339 HydrophobicContact CD1-CB 4Å; Y84-P339 HydrophobicContact CE1-CB 4.42Å; N303-P339 WeakPolarHBondContact OD1-CA 3.37Å; K305-P339 HydrophobicContact CG-CB 3.57Å; K305-P339 HydrophobicContact CG-CG 3.85Å; N337-P339 VanDerWaalsContact C-CD 3.48Å | ||
| 340 | R | 91.5 | Very high | 88 | Confident | 154 Ų | 154 | 65.9 Ų | 65.9 | 58% | 0.581 | 31% | 0.308 | S | S | * | . | trans | -133.4 | 156.7 | 172.4 | 56.5 | 170.7 | -175.6 | -156.3 | 5.2 | 109.4 | P2 Y84 N303 R338 | P2-R340 HydrophobicContact CB-CB 4.49Å; Y84-R340 WeakPolarHBondContact CD1-O 3.39Å; N303-R340 HydrophobicContact CB-CG 4.47Å; N303-R340 WeakPolarHBondContact ND2-CG 3.38Å; N303-R340 PolarHBondContact ND2-NE 2.92Å; N303-R340 WeakPolarHBondContact OD1-CG 3.36Å; N303-R340 PolarHBondContact OD1-N 2.83Å; N303-R340 PolarHBondContact OD1-O 2.99Å; R338-R340 PolarHBondContact O-N 3.35Å | ||
| 341 | I | 92.2 | Very high | 87.4 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 28% | 0.277 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 129.2 | 171.6 | -58.7 | 177.2 | 0 | 0 | 0 | 107.5 | G83 Y84 K232 E343 | G83-I341 WeakPolarHBondContact O-CA 3.48Å; Y84-I341 HydrophobicContact CD1-CG1 4.35Å; Y84-I341 HydrophobicContact CD2-CG1 4.18Å; Y84-I341 HydrophobicContact CE1-CG1 3.86Å; Y84-I341 HydrophobicContact CE2-CD1 4.12Å; Y84-I341 HydrophobicContact CE2-CG1 3.65Å; Y84-I341 VanDerWaalsContact CZ-CG1 3.45Å; K232-I341 HydrophobicContact CD-CG2 4.2Å; K232-I341 HydrophobicContact CG-CG2 4.33Å; I341-E343 HydrophobicContact CG2-CG 3.97Å; I341-E343 PolarHBondContact O-N 3.24Å |
| 342 | N | 90.3 | Very high | 86.9 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 101.4 | 175.8 | -42.5 | -67.4 | 0 | 0 | 0 | 109.1 | G83 N85 K232 T233 N303 | G83-N342 PolarHBondContact O-N 3.5Å; G83-N342 PolarHBondContact O-ND2 2.86Å; N85-N342 PolarHBondContact OD1-ND2 3.41Å; K232-N342 CarbonylContact C-O 3.47Å; K232-N342 VanDerWaalsContact CA-O 3.25Å; K232-N342 WeakPolarHBondContact CA-O 3.44Å; T233-N342 PolarHBondContact N-O 3.42Å; T233-N342 VanDerWaalsContact O-CB 3.31Å; T233-N342 WeakPolarHBondContact O-CB 3.25Å; T233-N342 PolarHBondContact O-ND2 2.79Å; T233-N342 WeakPolarHBondContact OG1-CB 3.27Å; N303-N342 PolarHBondContact ND2-OD1 2.79Å |
| 343 | E | 87.3 | Confident | 86.4 | Confident | 48 Ų | 48 | 76.3 Ų | 76.3 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 156.1 | 173.2 | -64.7 | 166.3 | -173.2 | 0 | 0 | 108.9 | K232 I341 D347 A348 R351 | K232-E343 HydrophobicContact CG-CG 4.19Å; I341-E343 HydrophobicContact CG2-CG 3.97Å; I341-E343 PolarHBondContact O-N 3.24Å; E343-D347 HydrophobicContact CB-CB 4.49Å; E343-A348 HydrophobicContact CB-CB 4.47Å; E343-R351 IonicContact OE1-NH1 3.92Å; E343-R351 IonicContact OE2-NH1 3.07Å |
| 344 | D | 82.8 | Confident | 85.8 | Confident | 47 Ų | 47 | 80 Ų | 80 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | trans | -52.9 | 134.7 | 168 | -177.5 | -23.5 | 0 | 0 | 0 | 109.1 | I231 K346 D347 A348 | I231-D344 HydrophobicContact CB-CB 4.37Å; I231-D344 PolarHBondContact O-N 3.45Å; D344-K346 PolarHBondContact O-N 2.67Å; D344-K346 PolarHBondContact OD1-N 3.09Å; D344-D347 HydrophobicContact CB-CB 4.35Å; D344-D347 PolarHBondContact O-N 2.72Å; D344-A348 PolarHBondContact O-N 2.88Å | ||
| 345 | P | 78.1 | Confident | 85.4 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 61% | 0.61 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -41.4 | -38.1 | 169.7 | -30.8 | 32 | 0 | 0 | 0 | 114.9 | L349 | P345-L349 VanDerWaalsContact O-CB 3.27Å; P345-L349 WeakPolarHBondContact O-CB 2.98Å; P345-L349 PolarHBondContact O-N 2.91Å |
| 346 | K | 76.9 | Confident | 85.1 | Confident | 149 Ų | 149 | 84.8 Ų | 84.8 | 65% | 0.648 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66 | -47.6 | 177.7 | -65.9 | 175.4 | -175.3 | 169.8 | 0 | 111.9 | D344 L349 L350 | D344-K346 PolarHBondContact O-N 2.67Å; D344-K346 PolarHBondContact OD1-N 3.09Å; K346-L349 PolarHBondContact O-N 3.4Å; K346-L350 WeakPolarHBondContact O-CB 3.35Å; K346-L350 WeakPolarHBondContact O-CD1 3.36Å; K346-L350 WeakPolarHBondContact O-CG 3.3Å; K346-L350 PolarHBondContact O-N 3.35Å |
| 347 | D | 78.4 | Confident | 84.9 | Confident | 20 Ų | 20 | 81.4 Ų | 81.4 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 178.1 | -75.3 | -37 | 0 | 0 | 0 | 111.4 | H230 I231 E343 D344 L349 L350 R351 | H230-D347 VanDerWaalsContact CA-OD2 3.29Å; H230-D347 WeakPolarHBondContact CA-OD2 3.48Å; H230-D347 IonicContact CE1-OD1 3.81Å; H230-D347 VanDerWaalsContact ND1-CG 3.32Å; H230-D347 IonicContact ND1-OD1 2.82Å; H230-D347 PolarHBondContact ND1-OD1 2.86Å; H230-D347 IonicContact ND1-OD2 3.87Å; I231-D347 PolarHBondContact N-OD2 2.82Å; E343-D347 HydrophobicContact CB-CB 4.49Å; D344-D347 HydrophobicContact CB-CB 4.35Å; D344-D347 PolarHBondContact O-N 2.72Å; D347-L349 VanDerWaalsContact C-N 3.34Å; D347-L349 PolarHBondContact O-N 3.42Å; D347-L350 PolarHBondContact O-N 3.19Å; D347-R351 WeakPolarHBondContact O-CB 3.39Å; D347-R351 PolarHBondContact O-N 2.81Å |
| 348 | A | 78.1 | Confident | 84.6 | Confident | 31 Ų | 31 | 87.5 Ų | 87.5 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E343 D344 R351 Q352 | E343-A348 HydrophobicContact CB-CB 4.47Å; D344-A348 PolarHBondContact O-N 2.88Å; A348-R351 PolarHBondContact O-N 3.01Å; A348-Q352 WeakPolarHBondContact O-CG 3.49Å; A348-Q352 PolarHBondContact O-N 2.57Å |
| 349 | L | 82 | Confident | 84.3 | Confident | 75 Ų | 75 | 86 Ų | 86 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 177.7 | -173.1 | 65.8 | 0 | 0 | 0 | 111.7 | P345 K346 D347 R351 Q352 Y353 | P345-L349 VanDerWaalsContact O-CB 3.27Å; P345-L349 WeakPolarHBondContact O-CB 2.98Å; P345-L349 PolarHBondContact O-N 2.91Å; K346-L349 PolarHBondContact O-N 3.4Å; D347-L349 VanDerWaalsContact C-N 3.34Å; D347-L349 PolarHBondContact O-N 3.42Å; L349-R351 VanDerWaalsContact C-N 3.32Å; L349-R351 PolarHBondContact O-N 3.29Å; L349-Q352 PolarHBondContact O-N 3.23Å; L349-Y353 HydrophobicContact CD1-CE1 4.06Å; L349-Y353 HydrophobicContact CD1-CE2 3.94Å; L349-Y353 HydrophobicContact CD2-CE2 3.77Å; L349-Y353 HydrophobicContact CG-CD2 4.03Å; L349-Y353 HydrophobicContact CG-CE1 4.5Å; L349-Y353 HydrophobicContact CG-CE2 3.49Å; L349-Y353 VanDerWaalsContact CG-CE2 3.49Å; L349-Y353 WeakPolarHBondContact O-CD2 3.35Å; L349-Y353 PolarHBondContact O-N 3.33Å |
| 350 | L | 79.9 | Confident | 84 | Confident | 80 Ų | 80 | 89.2 Ų | 89.2 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 175.1 | -82.9 | 159.9 | 0 | 0 | 0 | 111.8 | K346 D347 Y353 Q354 | K346-L350 WeakPolarHBondContact O-CB 3.35Å; K346-L350 WeakPolarHBondContact O-CD1 3.36Å; K346-L350 WeakPolarHBondContact O-CG 3.3Å; K346-L350 PolarHBondContact O-N 3.35Å; D347-L350 PolarHBondContact O-N 3.19Å; L350-Y353 PolarHBondContact O-N 3.41Å; L350-Q354 WeakPolarHBondContact O-CB 3.23Å; L350-Q354 VanDerWaalsContact O-CG 3.3Å; L350-Q354 WeakPolarHBondContact O-CG 3.35Å; L350-Q354 PolarHBondContact O-N 3.5Å |
| 351 | R | 79.4 | Confident | 83.7 | Confident | 128 Ų | 128 | 88 Ų | 88 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.6 | -175 | 177.6 | 176 | -144.6 | -2.6 | 112.1 | E343 D347 A348 L349 Q354 Q355 | E343-R351 IonicContact OE1-NH1 3.92Å; E343-R351 IonicContact OE2-NH1 3.07Å; D347-R351 WeakPolarHBondContact O-CB 3.39Å; D347-R351 PolarHBondContact O-N 2.81Å; A348-R351 PolarHBondContact O-N 3.01Å; L349-R351 VanDerWaalsContact C-N 3.32Å; L349-R351 PolarHBondContact O-N 3.29Å; R351-Q354 PolarHBondContact O-N 3.15Å; R351-Q355 WeakPolarHBondContact O-CG 3.46Å; R351-Q355 PolarHBondContact O-N 2.8Å |
| 352 | Q | 82 | Confident | 83.4 | Confident | 124 Ų | 124 | 86.4 Ų | 86.4 | 58% | 0.579 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 173.7 | -74.2 | 180 | 5.5 | 0 | 0 | 111.4 | A348 L349 Q354 Q355 E356 | A348-Q352 WeakPolarHBondContact O-CG 3.49Å; A348-Q352 PolarHBondContact O-N 2.57Å; L349-Q352 PolarHBondContact O-N 3.23Å; Q352-Q354 PolarHBondContact O-N 2.9Å; Q352-Q355 PolarHBondContact O-N 3.38Å; Q352-E356 WeakPolarHBondContact O-CB 3.46Å; Q352-E356 PolarHBondContact O-N 3.34Å |
| 353 | Y | 84.6 | Confident | 83.1 | Confident | 136 Ų | 136 | 89 Ų | 89 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 175.4 | -68.9 | -28.7 | 0 | 0 | 0 | 112.6 | L349 L350 E356 I357 | L349-Y353 HydrophobicContact CD1-CE1 4.06Å; L349-Y353 HydrophobicContact CD1-CE2 3.94Å; L349-Y353 HydrophobicContact CD2-CE2 3.77Å; L349-Y353 HydrophobicContact CG-CD2 4.03Å; L349-Y353 HydrophobicContact CG-CE1 4.5Å; L349-Y353 HydrophobicContact CG-CE2 3.49Å; L349-Y353 VanDerWaalsContact CG-CE2 3.49Å; L349-Y353 WeakPolarHBondContact O-CD2 3.35Å; L349-Y353 PolarHBondContact O-N 3.33Å; L350-Y353 PolarHBondContact O-N 3.41Å; Y353-E356 PolarHBondContact O-N 3.21Å; Y353-I357 WeakPolarHBondContact O-CB 3.37Å; Y353-I357 WeakPolarHBondContact O-CD1 3.47Å; Y353-I357 WeakPolarHBondContact O-CG1 3.42Å; Y353-I357 PolarHBondContact O-N 2.86Å |
| 354 | Q | 79.2 | Confident | 82.8 | Confident | 105 Ų | 105 | 91.8 Ų | 91.8 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 174.8 | -75.4 | 173.3 | -7.4 | 0 | 0 | 112.1 | L350 R351 Q352 E356 I357 E358 | L350-Q354 WeakPolarHBondContact O-CB 3.23Å; L350-Q354 VanDerWaalsContact O-CG 3.3Å; L350-Q354 WeakPolarHBondContact O-CG 3.35Å; L350-Q354 PolarHBondContact O-N 3.5Å; R351-Q354 PolarHBondContact O-N 3.15Å; Q352-Q354 PolarHBondContact O-N 2.9Å; Q354-E356 VanDerWaalsContact C-N 3.32Å; Q354-E356 PolarHBondContact O-N 3.05Å; Q354-I357 PolarHBondContact O-N 2.81Å; Q354-E358 WeakPolarHBondContact O-CB 3.2Å; Q354-E358 PolarHBondContact O-N 3.46Å |
| 355 | Q | 85 | Confident | 82.7 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 48% | 0.477 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 175.7 | -73.6 | 175.5 | 13.2 | 0 | 0 | 111.8 | R351 Q352 E358 R359 | R351-Q355 WeakPolarHBondContact O-CG 3.46Å; R351-Q355 PolarHBondContact O-N 2.8Å; Q352-Q355 PolarHBondContact O-N 3.38Å; Q355-E358 PolarHBondContact O-N 2.91Å; Q355-R359 WeakPolarHBondContact O-CB 3.45Å; Q355-R359 PolarHBondContact O-N 3.35Å |
| 356 | E | 86.2 | Confident | 82.4 | Confident | 75 Ų | 75 | 97.5 Ų | 97.5 | 35% | 0.35 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 178.2 | -174.2 | 57.9 | -164.4 | 0 | 0 | 111.6 | Q352 Y353 Q354 E358 R359 L360 | Q352-E356 WeakPolarHBondContact O-CB 3.46Å; Q352-E356 PolarHBondContact O-N 3.34Å; Y353-E356 PolarHBondContact O-N 3.21Å; Q354-E356 VanDerWaalsContact C-N 3.32Å; Q354-E356 PolarHBondContact O-N 3.05Å; E356-E358 VanDerWaalsContact C-N 3.3Å; E356-E358 PolarHBondContact O-N 2.97Å; E356-R359 PolarHBondContact O-N 2.97Å; E356-R359 IonicContact OE1-CZ 3.56Å; E356-R359 IonicContact OE1-NE 3.98Å; E356-R359 PolarHBondContact OE1-NE 2.83Å; E356-R359 IonicContact OE1-NH2 2.9Å; E356-R359 PolarHBondContact OE1-NH2 2.78Å; E356-R359 IonicContact OE2-CZ 2.72Å; E356-R359 IonicContact OE2-NE 3.79Å; E356-R359 PolarHBondContact OE2-NE 3.38Å; E356-R359 IonicContact OE2-NH2 3.44Å; E356-L360 HydrophobicContact CG-CD1 4.02Å; E356-L360 HydrophobicContact CG-CG 4.44Å; E356-L360 WeakPolarHBondContact O-CB 3.41Å; E356-L360 VanDerWaalsContact O-CG 3.23Å; E356-L360 WeakPolarHBondContact O-CG 3.37Å; E356-L360 PolarHBondContact O-N 3.36Å |
| 357 | I | 87.6 | Confident | 82.1 | Confident | 88 Ų | 88 | 96.1 Ų | 96.1 | 45% | 0.451 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 172 | -72.2 | 164.2 | 0 | 0 | 0 | 110.4 | Y353 Q354 K361 | Y353-I357 WeakPolarHBondContact O-CB 3.37Å; Y353-I357 WeakPolarHBondContact O-CD1 3.47Å; Y353-I357 WeakPolarHBondContact O-CG1 3.42Å; Y353-I357 PolarHBondContact O-N 2.86Å; Q354-I357 PolarHBondContact O-N 2.81Å; I357-K361 HydrophobicContact CG2-CD 3.97Å; I357-K361 HydrophobicContact CG2-CG 4.41Å; I357-K361 VanDerWaalsContact O-CB 3.27Å; I357-K361 WeakPolarHBondContact O-CB 3.34Å; I357-K361 WeakPolarHBondContact O-CG 3.45Å; I357-K361 PolarHBondContact O-N 2.9Å |
| 358 | E | 88.3 | Confident | 81.2 | Confident | 131 Ų | 131 | 102.6 Ų | 102.6 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 177.5 | -172.4 | 172.3 | -164 | 0 | 0 | 112 | Q354 Q355 E356 K361 G362 | Q354-E358 WeakPolarHBondContact O-CB 3.2Å; Q354-E358 PolarHBondContact O-N 3.46Å; Q355-E358 PolarHBondContact O-N 2.91Å; E356-E358 VanDerWaalsContact C-N 3.3Å; E356-E358 PolarHBondContact O-N 2.97Å; E358-K361 PolarHBondContact O-N 3.35Å; E358-G362 PolarHBondContact O-N 2.92Å |
| 359 | R | 87 | Confident | 79.9 | Confident | 129 Ų | 129 | 107.3 Ų | 107.3 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 175 | -169.7 | -169.4 | 76.2 | 81.4 | 3.5 | 111.5 | Q355 E356 G362 L363 | Q355-R359 WeakPolarHBondContact O-CB 3.45Å; Q355-R359 PolarHBondContact O-N 3.35Å; E356-R359 PolarHBondContact O-N 2.97Å; E356-R359 IonicContact OE1-CZ 3.56Å; E356-R359 IonicContact OE1-NE 3.98Å; E356-R359 PolarHBondContact OE1-NE 2.83Å; E356-R359 IonicContact OE1-NH2 2.9Å; E356-R359 PolarHBondContact OE1-NH2 2.78Å; E356-R359 IonicContact OE2-CZ 2.72Å; E356-R359 IonicContact OE2-NE 3.79Å; E356-R359 PolarHBondContact OE2-NE 3.38Å; E356-R359 IonicContact OE2-NH2 3.44Å; R359-G362 WeakPolarHBondContact O-CA 3.34Å; R359-G362 PolarHBondContact O-N 2.99Å; R359-L363 PolarHBondContact O-N 2.96Å |
| 360 | L | 86.7 | Confident | 78.2 | Confident | 79 Ų | 79 | 109.7 Ų | 109.7 | 41% | 0.414 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.6 | -71.1 | 169.7 | 0 | 0 | 0 | 111.4 | E356 G362 L363 L364 | E356-L360 HydrophobicContact CG-CD1 4.02Å; E356-L360 HydrophobicContact CG-CG 4.44Å; E356-L360 WeakPolarHBondContact O-CB 3.41Å; E356-L360 VanDerWaalsContact O-CG 3.23Å; E356-L360 WeakPolarHBondContact O-CG 3.37Å; E356-L360 PolarHBondContact O-N 3.36Å; L360-G362 VanDerWaalsContact C-N 3.29Å; L360-G362 PolarHBondContact O-N 3.02Å; L360-L363 PolarHBondContact O-N 3.46Å; L360-L364 WeakPolarHBondContact O-CB 3.5Å; L360-L364 WeakPolarHBondContact O-CG 3.33Å; L360-L364 PolarHBondContact O-N 3.04Å |
| 361 | K | 86.4 | Confident | 76.6 | Confident | 129 Ų | 129 | 112 Ų | 112 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -33.8 | 171.8 | -77.1 | 176.8 | 178.2 | -178.4 | 0 | 112.5 | I357 E358 R365 | I357-K361 HydrophobicContact CG2-CD 3.97Å; I357-K361 HydrophobicContact CG2-CG 4.41Å; I357-K361 VanDerWaalsContact O-CB 3.27Å; I357-K361 WeakPolarHBondContact O-CB 3.34Å; I357-K361 WeakPolarHBondContact O-CG 3.45Å; I357-K361 PolarHBondContact O-N 2.9Å; E358-K361 PolarHBondContact O-N 3.35Å; K361-R365 WeakPolarHBondContact O-CG 3.31Å; K361-R365 PolarHBondContact O-N 3.46Å; K361-R365 PolarHBondContact O-NE 3.3Å |
| 362 | G | 84.5 | Confident | 74.6 | Confident | 19 Ų | 19 | 114.5 Ų | 114.5 | 20% | 0.196 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -66.9 | -47 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E358 R359 L360 R365 N366 | E358-G362 PolarHBondContact O-N 2.92Å; R359-G362 WeakPolarHBondContact O-CA 3.34Å; R359-G362 PolarHBondContact O-N 2.99Å; L360-G362 VanDerWaalsContact C-N 3.29Å; L360-G362 PolarHBondContact O-N 3.02Å; G362-R365 WeakPolarHBondContact O-CB 3.37Å; G362-R365 PolarHBondContact O-N 3.2Å; G362-N366 PolarHBondContact O-N 2.87Å; G362-N366 VanDerWaalsContact O-N 3.09Å |
| 363 | L | 85.4 | Confident | 72.7 | Confident | 80 Ų | 80 | 113 Ų | 113 | 42% | 0.419 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 176.1 | -73.8 | 177.3 | 0 | 0 | 0 | 112.4 | R359 L360 R365 N366 V367 | R359-L363 PolarHBondContact O-N 2.96Å; L360-L363 PolarHBondContact O-N 3.46Å; L363-R365 VanDerWaalsContact C-N 3.28Å; L363-R365 PolarHBondContact O-N 2.72Å; L363-N366 PolarHBondContact O-N 2.9Å; L363-N366 VanDerWaalsContact O-N 3.09Å; L363-V367 WeakPolarHBondContact O-CG2 3.49Å; L363-V367 PolarHBondContact O-N 3.01Å |
| 364 | L | 81.1 | Confident | 70.3 | Confident | 107 Ų | 107 | 115.2 Ų | 115.2 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.6 | -39.3 | 174.9 | -77.7 | 166.7 | 0 | 0 | 0 | 111.9 | L360 N366 V367 Q368 | L360-L364 WeakPolarHBondContact O-CB 3.5Å; L360-L364 WeakPolarHBondContact O-CG 3.33Å; L360-L364 PolarHBondContact O-N 3.04Å; L364-N366 VanDerWaalsContact C-N 3.34Å; L364-N366 PolarHBondContact O-N 3.21Å; L364-V367 PolarHBondContact O-N 3.46Å; L364-Q368 WeakPolarHBondContact O-CB 3.4Å; L364-Q368 WeakPolarHBondContact O-CG 3.41Å; L364-Q368 PolarHBondContact O-N 3.41Å |
| 365 | R | 80.3 | Confident | 68.1 | Low | 154 Ų | 154 | 116.2 Ų | 116.2 | 58% | 0.581 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.5 | -38.8 | 173.3 | -82.6 | -175.2 | -77.6 | 169.8 | -5.6 | 112.6 | K361 G362 L363 Q368 Q369 | K361-R365 WeakPolarHBondContact O-CG 3.31Å; K361-R365 PolarHBondContact O-N 3.46Å; K361-R365 PolarHBondContact O-NE 3.3Å; G362-R365 WeakPolarHBondContact O-CB 3.37Å; G362-R365 PolarHBondContact O-N 3.2Å; L363-R365 VanDerWaalsContact C-N 3.28Å; L363-R365 PolarHBondContact O-N 2.72Å; R365-Q368 PolarHBondContact O-N 2.79Å; R365-Q369 PolarHBondContact O-N 3.26Å |
| 366 | N | 71.1 | Confident | 66 | Low | 106 Ų | 106 | 117.2 Ų | 117.2 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.3 | -36 | 178.9 | -67.8 | -10.7 | 0 | 0 | 0 | 112.6 | G362 L363 L364 Q368 Q369 | G362-N366 PolarHBondContact O-N 2.87Å; G362-N366 VanDerWaalsContact O-N 3.09Å; L363-N366 PolarHBondContact O-N 2.9Å; L363-N366 VanDerWaalsContact O-N 3.09Å; L364-N366 VanDerWaalsContact C-N 3.34Å; L364-N366 PolarHBondContact O-N 3.21Å; N366-Q368 VanDerWaalsContact C-N 3.3Å; N366-Q369 PolarHBondContact O-N 3.28Å |
| 367 | V | 71.2 | Confident | 63.3 | Low | 121 Ų | 121 | 119.3 Ų | 119.3 | 73% | 0.733 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.3 | -31.1 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L363 L364 Q369 | L363-V367 WeakPolarHBondContact O-CG2 3.49Å; L363-V367 PolarHBondContact O-N 3.01Å; L364-V367 PolarHBondContact O-N 3.46Å; V367-Q369 VanDerWaalsContact C-N 3.27Å; V367-Q369 PolarHBondContact O-N 2.86Å |
| 368 | Q | 59.6 | Low | 60.9 | Low | 155 Ų | 155 | 122.8 Ų | 122.8 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -7.4 | 176 | -76.6 | 176.1 | -13 | 0 | 0 | 114 | L364 R365 N366 | L364-Q368 WeakPolarHBondContact O-CB 3.4Å; L364-Q368 WeakPolarHBondContact O-CG 3.41Å; L364-Q368 PolarHBondContact O-N 3.41Å; R365-Q368 PolarHBondContact O-N 2.79Å; N366-Q368 VanDerWaalsContact C-N 3.3Å |
| 369 | Q | 49.5 | Very low | 58.6 | Low | 130 Ų | 130 | 121.7 Ų | 121.7 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -90.4 | 117.4 | 171.5 | -75 | -177.6 | 13 | 0 | 0 | 110.1 | R365 N366 V367 T371 | R365-Q369 PolarHBondContact O-N 3.26Å; N366-Q369 PolarHBondContact O-N 3.28Å; V367-Q369 VanDerWaalsContact C-N 3.27Å; V367-Q369 PolarHBondContact O-N 2.86Å; Q369-T371 PolarHBondContact O-N 2.94Å |
| 370 | P | 47.1 | Very low | 56.4 | Low | 125 Ų | 125 | 120.7 Ų | 120.7 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | trans | -74.5 | 91.9 | -176.8 | 29.3 | -32 | 0 | 0 | 0 | 110.2 | Q372 | P370-Q372 PolarHBondContact O-N 3.41Š| ||
| 371 | T | 45.5 | Very low | 54.6 | Low | 129 Ų | 129 | 122.3 Ų | 122.3 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | trans | -77.3 | 108 | 168.9 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | Q369 A373 | Q369-T371 PolarHBondContact O-N 2.94Å; T371-A373 PolarHBondContact O-N 2.9Å | ||
| 372 | Q | 38 | Very low | 53.2 | Low | 181 Ų | 181 | 121.9 Ų | 121.9 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | trans | -46 | 107.1 | 168 | -65.2 | 172 | -6 | 0 | 0 | 110 | P370 Q374 | P370-Q372 PolarHBondContact O-N 3.41Å; Q372-Q374 PolarHBondContact O-N 3.34Å | ||
| 373 | A | 42.8 | Very low | 52 | Low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -69.3 | 100.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T371 T375 | T371-A373 PolarHBondContact O-N 2.9Å; A373-T375 PolarHBondContact O-N 2.9Å | ||
| 374 | Q | 34.2 | Very low | 50.7 | Low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -67.4 | 107.1 | 160.7 | -69.1 | 179.1 | 0.1 | 0 | 0 | 107.7 | Q372 P376 | Q372-Q374 PolarHBondContact O-N 3.34Å; Q374-P376 WeakPolarHBondContact O-CD 3.48Å | ||
| 375 | T | 33.5 | Very low | 49.6 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | -73.7 | 119.7 | 173.9 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | A373 | A373-T375 PolarHBondContact O-N 2.9Š| ||
| 376 | P | 39.4 | Very low | 48.9 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -79.4 | 120.2 | 168 | -3 | 21.4 | 0 | 0 | 0 | 109.3 | Q374 | Q374-P376 WeakPolarHBondContact O-CD 3.48Š| ||
| 377 | S | 30.7 | Very low | 49.1 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -77.1 | 115.5 | 175.4 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 378 | I | 36.1 | Very low | 49.3 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | trans | -136.4 | 140.3 | 163.1 | -61.4 | -178.9 | 0 | 0 | 0 | 107.6 | ||||
| 379 | P | 40.3 | Very low | 50.1 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | -97.3 | 149.5 | -143.8 | 36 | -32.9 | 0 | 0 | 0 | 116.5 | ||||
| 380 | S | 41.5 | Very low | 51.4 | Low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | 37.2 | 94.2 | 146.5 | 64.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 381 | D | 48.3 | Very low | 53 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 69% | 0.688 | S | S | * | * | trans | -144.4 | 80.3 | 137.9 | -166.4 | 12.4 | 0 | 0 | 0 | 108.1 | S383 | D381-S383 VanDerWaalsContact C-N 3.31Å; D381-S383 PolarHBondContact O-N 2.86Å | ||
| 382 | D | 56.9 | Low | 54.6 | Low | 121 Ų | 121 | 126.2 Ų | 126.2 | 65% | 0.647 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.5 | -22 | -154.9 | -122.9 | -11.1 | 0 | 0 | 0 | 114.5 | ||
| 383 | S | 59.7 | Low | 56.7 | Low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -83.9 | -30.9 | -171.2 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | D381 | D381-S383 VanDerWaalsContact C-N 3.31Å; D381-S383 PolarHBondContact O-N 2.86Å |
| 384 | R | 58.3 | Low | 58.6 | Low | 194 Ų | 194 | 125.7 Ų | 125.7 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -82.5 | -38.6 | 176.8 | -87.3 | 179.3 | 148.8 | 177.2 | -7 | 112.3 | E386 L387 E388 | R384-E386 VanDerWaalsContact C-N 3.32Å; R384-E386 PolarHBondContact O-N 2.84Å; R384-L387 PolarHBondContact O-N 3.08Å; R384-E388 PolarHBondContact O-N 2.87Å; R384-E388 VanDerWaalsContact O-N 3.08Å |
| 385 | H | 56.7 | Low | 60.9 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 49% | 0.486 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65 | -32.8 | -179.4 | -105 | -66.4 | 0 | 0 | 0 | 113.1 | K389 | H385-K389 VanDerWaalsContact O-CB 3.28Å; H385-K389 WeakPolarHBondContact O-CB 3.3Å; H385-K389 WeakPolarHBondContact O-CG 3.43Å; H385-K389 PolarHBondContact O-N 2.82Å |
| 386 | E | 66.4 | Low | 63.2 | Low | 134 Ų | 134 | 121.8 Ų | 121.8 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.7 | -40.4 | 174.8 | -78.8 | -158.2 | 152.3 | 0 | 0 | 112.7 | R384 K389 K390 | R384-E386 VanDerWaalsContact C-N 3.32Å; R384-E386 PolarHBondContact O-N 2.84Å; E386-K389 PolarHBondContact O-N 2.96Å; E386-K390 WeakPolarHBondContact O-CB 3.49Å; E386-K390 PolarHBondContact O-N 3.27Å |
| 387 | L | 75.1 | Confident | 65.3 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 56% | 0.56 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.5 | -44.4 | 178.2 | -169.2 | 71 | 0 | 0 | 0 | 111 | R384 K390 Q391 | R384-L387 PolarHBondContact O-N 3.08Å; L387-K390 PolarHBondContact O-N 2.72Å; L387-Q391 WeakPolarHBondContact O-CG 3.13Å; L387-Q391 PolarHBondContact O-N 3.21Å |
| 388 | E | 75.1 | Confident | 68 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.8 | -42.7 | 174.2 | -75 | -177.3 | 176.5 | 0 | 0 | 111.7 | R384 K390 Q391 L392 | R384-E388 PolarHBondContact O-N 2.87Å; R384-E388 VanDerWaalsContact O-N 3.08Å; E388-K390 VanDerWaalsContact C-N 3.28Å; E388-K390 PolarHBondContact O-N 3.46Å; E388-Q391 PolarHBondContact O-N 3.5Å; E388-L392 WeakPolarHBondContact O-CB 3.05Å; E388-L392 PolarHBondContact O-N 3.12Å |
| 389 | K | 76.3 | Confident | 70.4 | Confident | 113 Ų | 113 | 124.5 Ų | 124.5 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.3 | -35.6 | 174.3 | -79.5 | 173.5 | -179.1 | 171.8 | 0 | 112.1 | H385 E386 R393 | H385-K389 VanDerWaalsContact O-CB 3.28Å; H385-K389 WeakPolarHBondContact O-CB 3.3Å; H385-K389 WeakPolarHBondContact O-CG 3.43Å; H385-K389 PolarHBondContact O-N 2.82Å; E386-K389 PolarHBondContact O-N 2.96Å; K389-R393 WeakPolarHBondContact O-CB 3.23Å; K389-R393 PolarHBondContact O-N 2.92Å |
| 390 | K | 77.5 | Confident | 72.5 | Confident | 139 Ų | 139 | 123.4 Ų | 123.4 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.5 | -42.2 | 177 | -163.5 | 175.6 | -176.4 | 178.3 | 0 | 111.3 | E386 L387 E388 R393 M394 | E386-K390 WeakPolarHBondContact O-CB 3.49Å; E386-K390 PolarHBondContact O-N 3.27Å; L387-K390 PolarHBondContact O-N 2.72Å; E388-K390 VanDerWaalsContact C-N 3.28Å; E388-K390 PolarHBondContact O-N 3.46Å; K390-R393 PolarHBondContact O-N 2.92Å; K390-M394 WeakPolarHBondContact O-CG 3.34Å; K390-M394 PolarHBondContact O-N 3.2Å |
| 391 | Q | 80.1 | Confident | 74.6 | Confident | 101 Ų | 101 | 120.9 Ų | 120.9 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.7 | -46.5 | 172.6 | -75.3 | 179.6 | -7.4 | 0 | 0 | 111.5 | L387 E388 R393 M394 D395 | L387-Q391 WeakPolarHBondContact O-CG 3.13Å; L387-Q391 PolarHBondContact O-N 3.21Å; E388-Q391 PolarHBondContact O-N 3.5Å; Q391-R393 VanDerWaalsContact C-N 3.3Å; Q391-R393 PolarHBondContact O-N 3.4Å; Q391-M394 PolarHBondContact O-N 2.93Å; Q391-M394 VanDerWaalsContact O-N 3.17Å; Q391-D395 WeakPolarHBondContact O-CB 3.38Å; Q391-D395 PolarHBondContact O-N 3.15Å |
| 392 | L | 80.4 | Confident | 76.6 | Confident | 102 Ų | 102 | 118 Ų | 118 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61 | -40.1 | 177.2 | -165.8 | 71.3 | 0 | 0 | 0 | 111.1 | E388 D395 Y396 | E388-L392 WeakPolarHBondContact O-CB 3.05Å; E388-L392 PolarHBondContact O-N 3.12Å; L392-D395 PolarHBondContact O-N 2.82Å; L392-Y396 HydrophobicContact CD1-CD2 4.5Å; L392-Y396 HydrophobicContact CD1-CE2 4.4Å; L392-Y396 HydrophobicContact CD2-CE2 4.48Å; L392-Y396 HydrophobicContact CG-CD2 4.03Å; L392-Y396 HydrophobicContact CG-CE2 4.13Å; L392-Y396 WeakPolarHBondContact O-CB 3.47Å; L392-Y396 VanDerWaalsContact O-CD2 3.32Å; L392-Y396 WeakPolarHBondContact O-CD2 3.42Å; L392-Y396 PolarHBondContact O-N 2.98Å |
| 393 | R | 80.8 | Confident | 78 | Confident | 153 Ų | 153 | 116.4 Ų | 116.4 | 58% | 0.577 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.2 | -48.2 | 172.5 | -93.5 | -175.2 | -82.8 | -107.8 | 3.8 | 112.5 | K389 K390 Q391 D395 Y396 E397 | K389-R393 WeakPolarHBondContact O-CB 3.23Å; K389-R393 PolarHBondContact O-N 2.92Å; K390-R393 PolarHBondContact O-N 2.92Å; Q391-R393 VanDerWaalsContact C-N 3.3Å; Q391-R393 PolarHBondContact O-N 3.4Å; R393-D395 VanDerWaalsContact C-N 3.31Å; R393-D395 PolarHBondContact O-N 3.05Å; R393-Y396 WeakPolarHBondContact O-CB 3.28Å; R393-Y396 PolarHBondContact O-N 3.26Å; R393-E397 WeakPolarHBondContact O-CG 3.48Å; R393-E397 PolarHBondContact O-N 3.07Å |
| 394 | M | 83.1 | Confident | 79.3 | Confident | 111 Ų | 111 | 117.5 Ų | 117.5 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 176.6 | -68.8 | -168 | -38.5 | 0 | 0 | 112.1 | K390 Q391 Y396 E397 R398 | K390-M394 WeakPolarHBondContact O-CG 3.34Å; K390-M394 PolarHBondContact O-N 3.2Å; Q391-M394 PolarHBondContact O-N 2.93Å; Q391-M394 VanDerWaalsContact O-N 3.17Å; M394-Y396 VanDerWaalsContact C-N 3.35Å; M394-E397 PolarHBondContact O-N 2.95Å; M394-R398 WeakPolarHBondContact O-CB 3.35Å; M394-R398 PolarHBondContact O-N 3.09Å |
| 395 | D | 83.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 112.4 Ų | 112.4 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 175.8 | -81.5 | -12.7 | 0 | 0 | 0 | 111.8 | Q391 L392 R393 K399 | Q391-D395 WeakPolarHBondContact O-CB 3.38Å; Q391-D395 PolarHBondContact O-N 3.15Å; L392-D395 PolarHBondContact O-N 2.82Å; R393-D395 VanDerWaalsContact C-N 3.31Å; R393-D395 PolarHBondContact O-N 3.05Å; D395-K399 VanDerWaalsContact O-CB 3.31Å; D395-K399 WeakPolarHBondContact O-CB 3.38Å; D395-K399 VanDerWaalsContact O-CG 3.23Å; D395-K399 WeakPolarHBondContact O-CG 3.5Å; D395-K399 PolarHBondContact O-N 2.91Å |
| 396 | Y | 80.5 | Confident | 82.1 | Confident | 149 Ų | 149 | 114 Ų | 114 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -47 | 172.2 | -100.8 | -79.2 | 0 | 0 | 0 | 111.4 | L392 R393 M394 R398 K399 M400 | L392-Y396 HydrophobicContact CD1-CD2 4.5Å; L392-Y396 HydrophobicContact CD1-CE2 4.4Å; L392-Y396 HydrophobicContact CD2-CE2 4.48Å; L392-Y396 HydrophobicContact CG-CD2 4.03Å; L392-Y396 HydrophobicContact CG-CE2 4.13Å; L392-Y396 WeakPolarHBondContact O-CB 3.47Å; L392-Y396 VanDerWaalsContact O-CD2 3.32Å; L392-Y396 WeakPolarHBondContact O-CD2 3.42Å; L392-Y396 PolarHBondContact O-N 2.98Å; R393-Y396 WeakPolarHBondContact O-CB 3.28Å; R393-Y396 PolarHBondContact O-N 3.26Å; M394-Y396 VanDerWaalsContact C-N 3.35Å; Y396-R398 VanDerWaalsContact C-N 3.32Å; Y396-R398 PolarHBondContact O-N 3.17Å; Y396-K399 PolarHBondContact O-N 3.42Å; Y396-M400 VanDerWaalsContact O-CB 3.32Å; Y396-M400 WeakPolarHBondContact O-CB 3.22Å; Y396-M400 VanDerWaalsContact O-CG 3.27Å; Y396-M400 WeakPolarHBondContact O-CG 3.24Å; Y396-M400 PolarHBondContact O-N 3.22Å |
| 397 | E | 84.7 | Confident | 83.2 | Confident | 131 Ų | 131 | 113.5 Ų | 113.5 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 176.6 | -75.2 | 171.1 | -173.9 | 0 | 0 | 111.5 | R393 M394 M400 A401 | R393-E397 WeakPolarHBondContact O-CG 3.48Å; R393-E397 PolarHBondContact O-N 3.07Å; M394-E397 PolarHBondContact O-N 2.95Å; E397-M400 PolarHBondContact O-N 3.2Å; E397-A401 WeakPolarHBondContact O-CB 3.34Å; E397-A401 PolarHBondContact O-N 3.45Å |
| 398 | R | 87.2 | Confident | 83.8 | Confident | 193 Ų | 193 | 115.9 Ų | 115.9 | 73% | 0.728 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.9 | -43 | 175.7 | -174.8 | -177.3 | -96.2 | 168.4 | -8.7 | 112.1 | M394 Y396 M400 A402 | M394-R398 WeakPolarHBondContact O-CB 3.35Å; M394-R398 PolarHBondContact O-N 3.09Å; Y396-R398 VanDerWaalsContact C-N 3.32Å; Y396-R398 PolarHBondContact O-N 3.17Å; R398-M400 VanDerWaalsContact C-N 3.35Å; R398-A402 WeakPolarHBondContact O-CB 3.41Å; R398-A402 PolarHBondContact O-N 3.23Å |
| 399 | K | 86.7 | Confident | 84.5 | Confident | 135 Ų | 135 | 114.9 Ų | 114.9 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -39.9 | 174.8 | -77.1 | 174.2 | -177.6 | 175.3 | 0 | 111.4 | D395 Y396 A402 I403 | D395-K399 VanDerWaalsContact O-CB 3.31Å; D395-K399 WeakPolarHBondContact O-CB 3.38Å; D395-K399 VanDerWaalsContact O-CG 3.23Å; D395-K399 WeakPolarHBondContact O-CG 3.5Å; D395-K399 PolarHBondContact O-N 2.91Å; Y396-K399 PolarHBondContact O-N 3.42Å; K399-A402 PolarHBondContact O-N 3.08Å; K399-I403 WeakPolarHBondContact O-CB 3.39Å; K399-I403 WeakPolarHBondContact O-CD1 3.2Å; K399-I403 WeakPolarHBondContact O-CG1 3.46Å; K399-I403 PolarHBondContact O-N 3Å |
| 400 | M | 83.5 | Confident | 85 | Confident | 86 Ų | 86 | 115.7 Ų | 115.7 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.7 | -76.9 | -49.1 | -40 | 0 | 0 | 111.6 | Y396 E397 R398 A402 I403 E404 | Y396-M400 VanDerWaalsContact O-CB 3.32Å; Y396-M400 WeakPolarHBondContact O-CB 3.22Å; Y396-M400 VanDerWaalsContact O-CG 3.27Å; Y396-M400 WeakPolarHBondContact O-CG 3.24Å; Y396-M400 PolarHBondContact O-N 3.22Å; E397-M400 PolarHBondContact O-N 3.2Å; R398-M400 VanDerWaalsContact C-N 3.35Å; M400-A402 VanDerWaalsContact C-N 3.3Å; M400-A402 PolarHBondContact O-N 3.13Å; M400-I403 HydrophobicContact CE-CB 4.5Å; M400-I403 HydrophobicContact CE-CG2 4.47Å; M400-I403 PolarHBondContact O-N 2.92Å; M400-I403 HydrophobicContact SD-CD1 4.31Å; M400-E404 WeakPolarHBondContact O-CG 3.45Å; M400-E404 PolarHBondContact O-N 3.19Å |
| 401 | A | 87 | Confident | 85.5 | Confident | 55 Ų | 55 | 113.1 Ų | 113.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | E397 E404 E405 | E397-A401 WeakPolarHBondContact O-CB 3.34Å; E397-A401 PolarHBondContact O-N 3.45Å; A401-E404 PolarHBondContact O-N 2.85Å; A401-E405 WeakPolarHBondContact O-CB 3.45Å; A401-E405 PolarHBondContact O-N 3.01Å |
| 402 | A | 89.1 | Confident | 85.9 | Confident | 52 Ų | 52 | 112.8 Ų | 112.8 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R398 K399 M400 E405 Q406 | R398-A402 WeakPolarHBondContact O-CB 3.41Å; R398-A402 PolarHBondContact O-N 3.23Å; K399-A402 PolarHBondContact O-N 3.08Å; M400-A402 VanDerWaalsContact C-N 3.3Å; M400-A402 PolarHBondContact O-N 3.13Å; A402-E405 PolarHBondContact O-N 3.01Å; A402-Q406 WeakPolarHBondContact O-CB 3.5Å; A402-Q406 WeakPolarHBondContact O-CG 3.41Å; A402-Q406 PolarHBondContact O-N 3.4Å |
| 403 | I | 87.3 | Confident | 86.1 | Confident | 88 Ų | 88 | 111.4 Ų | 111.4 | 45% | 0.451 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 175.2 | -70.9 | 164.4 | 0 | 0 | 0 | 110.6 | K399 M400 Q406 F407 | K399-I403 WeakPolarHBondContact O-CB 3.39Å; K399-I403 WeakPolarHBondContact O-CD1 3.2Å; K399-I403 WeakPolarHBondContact O-CG1 3.46Å; K399-I403 PolarHBondContact O-N 3Å; M400-I403 HydrophobicContact CE-CB 4.5Å; M400-I403 HydrophobicContact CE-CG2 4.47Å; M400-I403 PolarHBondContact O-N 2.92Å; M400-I403 HydrophobicContact SD-CD1 4.31Å; I403-Q406 PolarHBondContact O-N 2.79Å; I403-F407 VanDerWaalsContact O-CB 3.25Å; I403-F407 WeakPolarHBondContact O-CB 3.26Å; I403-F407 PolarHBondContact O-N 3.23Å |
| 404 | E | 85.4 | Confident | 86.5 | Confident | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 175.7 | -76.7 | 177.8 | 177.6 | 0 | 0 | 111.7 | M400 A401 F407 R408 | M400-E404 WeakPolarHBondContact O-CG 3.45Å; M400-E404 PolarHBondContact O-N 3.19Å; A401-E404 PolarHBondContact O-N 2.85Å; E404-F407 PolarHBondContact O-N 3.41Å; E404-R408 VanDerWaalsContact O-CB 3.3Å; E404-R408 WeakPolarHBondContact O-CB 3.29Å; E404-R408 PolarHBondContact O-N 3.48Å |
| 405 | E | 88.9 | Confident | 86.7 | Confident | 86 Ų | 86 | 106.1 Ų | 106.1 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 176.4 | -173 | 59.7 | -160.2 | 0 | 0 | 111.9 | A401 A402 F407 R408 M409 | A401-E405 WeakPolarHBondContact O-CB 3.45Å; A401-E405 PolarHBondContact O-N 3.01Å; A402-E405 PolarHBondContact O-N 3.01Å; E405-F407 VanDerWaalsContact C-N 3.35Å; E405-R408 PolarHBondContact O-N 3.32Å; E405-M409 WeakPolarHBondContact O-CB 3.37Å; E405-M409 VanDerWaalsContact O-CG 3.31Å; E405-M409 WeakPolarHBondContact O-CG 3.04Å; E405-M409 PolarHBondContact O-N 3.3Å; E405-M409 WeakPolarHBondContact OE1-CE 3.47Å |
| 406 | Q | 85.8 | Confident | 87 | Confident | 139 Ų | 139 | 110.3 Ų | 110.3 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 171.9 | -81.2 | -176.5 | -15.2 | 0 | 0 | 111.4 | A402 I403 R408 M409 E410 | A402-Q406 WeakPolarHBondContact O-CB 3.5Å; A402-Q406 WeakPolarHBondContact O-CG 3.41Å; A402-Q406 PolarHBondContact O-N 3.4Å; I403-Q406 PolarHBondContact O-N 2.79Å; Q406-R408 VanDerWaalsContact C-N 3.32Å; Q406-R408 PolarHBondContact O-N 3.41Å; Q406-M409 PolarHBondContact O-N 2.97Å; Q406-E410 VanDerWaalsContact O-CB 3.27Å; Q406-E410 WeakPolarHBondContact O-CB 3.4Å; Q406-E410 PolarHBondContact O-N 2.77Å |
| 407 | F | 88.5 | Confident | 87.2 | Confident | 123 Ų | 123 | 108.2 Ų | 108.2 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.4 | -176.6 | -102.1 | 0 | 0 | 0 | 111.2 | I403 E404 E405 E410 Q411 | I403-F407 VanDerWaalsContact O-CB 3.25Å; I403-F407 WeakPolarHBondContact O-CB 3.26Å; I403-F407 PolarHBondContact O-N 3.23Å; E404-F407 PolarHBondContact O-N 3.41Å; E405-F407 VanDerWaalsContact C-N 3.35Å; F407-E410 CarbonylContact O-C 3.59Å; F407-E410 PolarHBondContact O-N 3.08Å; F407-Q411 HydrophobicContact CD1-CG 4.13Å; F407-Q411 HydrophobicContact CE1-CG 3.82Å; F407-Q411 HydrophobicContact CZ-CG 4.09Å; F407-Q411 VanDerWaalsContact O-CG 3.26Å; F407-Q411 WeakPolarHBondContact O-CG 3.26Å; F407-Q411 PolarHBondContact O-N 3.24Å |
| 408 | R | 89.4 | Confident | 87.3 | Confident | 158 Ų | 158 | 106.9 Ų | 106.9 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 175.4 | -173.5 | -177.7 | -176 | 163.7 | 2.8 | 111.6 | E404 E405 Q406 E410 Q411 I412 | E404-R408 VanDerWaalsContact O-CB 3.3Å; E404-R408 WeakPolarHBondContact O-CB 3.29Å; E404-R408 PolarHBondContact O-N 3.48Å; E405-R408 PolarHBondContact O-N 3.32Å; Q406-R408 VanDerWaalsContact C-N 3.32Å; Q406-R408 PolarHBondContact O-N 3.41Å; R408-E410 VanDerWaalsContact C-N 3.3Å; R408-E410 PolarHBondContact O-N 2.69Å; R408-Q411 PolarHBondContact O-N 2.82Å; R408-I412 HydrophobicContact CG-CD1 4.24Å; R408-I412 VanDerWaalsContact O-CG1 3.3Å; R408-I412 WeakPolarHBondContact O-CG1 3.5Å; R408-I412 PolarHBondContact O-N 3.12Å |
| 409 | M | 88.4 | Confident | 87.3 | Confident | 94 Ų | 94 | 104.1 Ų | 104.1 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 175.3 | -73 | -66.4 | 163.7 | 0 | 0 | 111.1 | E405 Q406 I412 T413 | E405-M409 WeakPolarHBondContact O-CB 3.37Å; E405-M409 VanDerWaalsContact O-CG 3.31Å; E405-M409 WeakPolarHBondContact O-CG 3.04Å; E405-M409 PolarHBondContact O-N 3.3Å; E405-M409 WeakPolarHBondContact OE1-CE 3.47Å; Q406-M409 PolarHBondContact O-N 2.97Å; M409-I412 PolarHBondContact O-N 2.97Å; M409-I412 HydrophobicContact SD-CD1 4.49Å; M409-T413 WeakPolarHBondContact O-CG2 3.47Å; M409-T413 PolarHBondContact O-N 3.47Å; M409-T413 PolarHBondContact O-OG1 3.23Å; M409-T413 VanDerWaalsContact O-OG1 3.08Å |
| 410 | E | 87 | Confident | 87.3 | Confident | 130 Ų | 130 | 101.5 Ų | 101.5 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.2 | -35.7 | 176 | -165.8 | 164.3 | -161.5 | 0 | 0 | 112.2 | Q406 F407 R408 T413 K414 | Q406-E410 VanDerWaalsContact O-CB 3.27Å; Q406-E410 WeakPolarHBondContact O-CB 3.4Å; Q406-E410 PolarHBondContact O-N 2.77Å; F407-E410 CarbonylContact O-C 3.59Å; F407-E410 PolarHBondContact O-N 3.08Å; R408-E410 VanDerWaalsContact C-N 3.3Å; R408-E410 PolarHBondContact O-N 2.69Å; E410-T413 VanDerWaalsContact CA-OG1 3.3Å; E410-T413 WeakPolarHBondContact CA-OG1 3.03Å; E410-T413 PolarHBondContact O-OG1 2.97Å; E410-K414 WeakPolarHBondContact O-CB 3.32Å; E410-K414 PolarHBondContact O-N 3.4Å |
| 411 | Q | 87.4 | Confident | 87.3 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 171.7 | -70.2 | -65.2 | -26.6 | 0 | 0 | 111.9 | F407 R408 S415 | F407-Q411 HydrophobicContact CD1-CG 4.13Å; F407-Q411 HydrophobicContact CE1-CG 3.82Å; F407-Q411 HydrophobicContact CZ-CG 4.09Å; F407-Q411 VanDerWaalsContact O-CG 3.26Å; F407-Q411 WeakPolarHBondContact O-CG 3.26Å; F407-Q411 PolarHBondContact O-N 3.24Å; R408-Q411 PolarHBondContact O-N 2.82Å; Q411-S415 WeakPolarHBondContact O-CB 3.38Å; Q411-S415 PolarHBondContact O-N 3.37Å |
| 412 | I | 89.1 | Confident | 87.3 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 176.5 | -68.5 | 165.9 | 0 | 0 | 0 | 110.5 | R408 M409 S415 R416 | R408-I412 HydrophobicContact CG-CD1 4.24Å; R408-I412 VanDerWaalsContact O-CG1 3.3Å; R408-I412 WeakPolarHBondContact O-CG1 3.5Å; R408-I412 PolarHBondContact O-N 3.12Å; M409-I412 PolarHBondContact O-N 2.97Å; M409-I412 HydrophobicContact SD-CD1 4.49Å; I412-S415 PolarHBondContact O-N 2.9Å; I412-R416 WeakPolarHBondContact O-CB 3.21Å; I412-R416 PolarHBondContact O-N 2.72Å |
| 413 | T | 85.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 109.6 Ų | 109.6 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | M409 E410 R416 L417 | M409-T413 WeakPolarHBondContact O-CG2 3.47Å; M409-T413 PolarHBondContact O-N 3.47Å; M409-T413 PolarHBondContact O-OG1 3.23Å; M409-T413 VanDerWaalsContact O-OG1 3.08Å; E410-T413 VanDerWaalsContact CA-OG1 3.3Å; E410-T413 WeakPolarHBondContact CA-OG1 3.03Å; E410-T413 PolarHBondContact O-OG1 2.97Å; T413-R416 WeakPolarHBondContact O-CB 3.19Å; T413-R416 PolarHBondContact O-N 3.1Å; T413-L417 WeakPolarHBondContact O-CB 3.36Å; T413-L417 VanDerWaalsContact O-CG 3.25Å; T413-L417 WeakPolarHBondContact O-CG 3.24Å; T413-L417 PolarHBondContact O-N 3.47Å |
| 414 | K | 87.8 | Confident | 86.7 | Confident | 105 Ų | 105 | 110.2 Ų | 110.2 | 46% | 0.457 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 172.5 | -179.6 | 179.9 | 169.7 | -175.9 | 0 | 111.5 | E410 R416 L417 E418 | E410-K414 WeakPolarHBondContact O-CB 3.32Å; E410-K414 PolarHBondContact O-N 3.4Å; K414-R416 VanDerWaalsContact C-N 3.3Å; K414-R416 PolarHBondContact O-N 3.07Å; K414-L417 PolarHBondContact O-N 3.03Å; K414-E418 WeakPolarHBondContact CE-OE1 3.34Å; K414-E418 HydrophobicContact CG-CG 4.39Å; K414-E418 IonicContact NZ-OE1 2.67Å; K414-E418 WeakPolarHBondContact O-CB 2.86Å; K414-E418 VanDerWaalsContact O-CG 3.29Å; K414-E418 WeakPolarHBondContact O-CG 3.16Å; K414-E418 PolarHBondContact O-N 3.35Å |
| 415 | S | 87.7 | Confident | 86.6 | Confident | 48 Ų | 48 | 112 Ų | 112 | 34% | 0.336 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 177.4 | -176 | 0 | 0 | 0 | 0 | 112.4 | Q411 I412 K419 | Q411-S415 WeakPolarHBondContact O-CB 3.38Å; Q411-S415 PolarHBondContact O-N 3.37Å; I412-S415 PolarHBondContact O-N 2.9Å; S415-K419 WeakPolarHBondContact O-CG 3.22Å; S415-K419 PolarHBondContact O-N 3.28Å; S415-K419 VanDerWaalsContact O-N 3.07Å |
| 416 | R | 90 | Very high | 86.3 | Confident | 165 Ų | 165 | 111.1 Ų | 111.1 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -47.7 | 173.9 | 178.9 | -177.9 | 170.4 | 177.5 | -1.4 | 111.4 | I412 T413 K414 E418 K419 E420 | I412-R416 WeakPolarHBondContact O-CB 3.21Å; I412-R416 PolarHBondContact O-N 2.72Å; T413-R416 WeakPolarHBondContact O-CB 3.19Å; T413-R416 PolarHBondContact O-N 3.1Å; K414-R416 VanDerWaalsContact C-N 3.3Å; K414-R416 PolarHBondContact O-N 3.07Å; R416-E418 VanDerWaalsContact C-N 3.33Å; R416-E418 PolarHBondContact O-N 3.17Å; R416-K419 WeakPolarHBondContact O-CB 3.43Å; R416-K419 PolarHBondContact O-N 3.48Å; R416-E420 IonicContact CZ-OE1 3.52Å; R416-E420 IonicContact NE-OE1 2.79Å; R416-E420 PolarHBondContact NE-OE1 3.44Å; R416-E420 IonicContact NH2-OE1 3.31Å; R416-E420 PolarHBondContact NH2-OE1 2.75Å; R416-E420 WeakPolarHBondContact O-CG 3.35Å; R416-E420 PolarHBondContact O-N 2.88Å |
| 417 | L | 85.2 | Confident | 85.9 | Confident | 104 Ų | 104 | 107.5 Ų | 107.5 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 178.4 | -73.2 | 170.7 | 0 | 0 | 0 | 111.1 | T413 K414 E420 L421 | T413-L417 WeakPolarHBondContact O-CB 3.36Å; T413-L417 VanDerWaalsContact O-CG 3.25Å; T413-L417 WeakPolarHBondContact O-CG 3.24Å; T413-L417 PolarHBondContact O-N 3.47Å; K414-L417 PolarHBondContact O-N 3.03Å; L417-E420 PolarHBondContact O-N 3.34Å; L417-L421 WeakPolarHBondContact O-CB 3.41Å; L417-L421 PolarHBondContact O-N 2.86Å |
| 418 | E | 86.3 | Confident | 85.2 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174 | -76.4 | 173.3 | 173.2 | 0 | 0 | 111.7 | K414 R416 S422 | K414-E418 WeakPolarHBondContact CE-OE1 3.34Å; K414-E418 HydrophobicContact CG-CG 4.39Å; K414-E418 IonicContact NZ-OE1 2.67Å; K414-E418 WeakPolarHBondContact O-CB 2.86Å; K414-E418 VanDerWaalsContact O-CG 3.29Å; K414-E418 WeakPolarHBondContact O-CG 3.16Å; K414-E418 PolarHBondContact O-N 3.35Å; R416-E418 VanDerWaalsContact C-N 3.33Å; R416-E418 PolarHBondContact O-N 3.17Å; E418-S422 VanDerWaalsContact O-CB 3.31Å; E418-S422 WeakPolarHBondContact O-CB 3.4Å; E418-S422 PolarHBondContact O-N 2.87Å |
| 419 | K | 87.8 | Confident | 84.5 | Confident | 134 Ų | 134 | 105 Ų | 105 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 173.1 | -74.3 | 171.1 | -177.6 | 172.3 | 0 | 112.3 | S415 R416 S422 R423 | S415-K419 WeakPolarHBondContact O-CG 3.22Å; S415-K419 PolarHBondContact O-N 3.28Å; S415-K419 VanDerWaalsContact O-N 3.07Å; R416-K419 WeakPolarHBondContact O-CB 3.43Å; R416-K419 PolarHBondContact O-N 3.48Å; K419-S422 PolarHBondContact O-N 3.05Å; K419-R423 WeakPolarHBondContact O-CG 3.47Å; K419-R423 PolarHBondContact O-N 3.03Å |
| 420 | E | 86.6 | Confident | 84 | Confident | 80 Ų | 80 | 107 Ų | 107 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 175.6 | -74.6 | 177.7 | -169 | 0 | 0 | 110.9 | R416 L417 S422 R423 L424 | R416-E420 IonicContact CZ-OE1 3.52Å; R416-E420 IonicContact NE-OE1 2.79Å; R416-E420 PolarHBondContact NE-OE1 3.44Å; R416-E420 IonicContact NH2-OE1 3.31Å; R416-E420 PolarHBondContact NH2-OE1 2.75Å; R416-E420 WeakPolarHBondContact O-CG 3.35Å; R416-E420 PolarHBondContact O-N 2.88Å; L417-E420 PolarHBondContact O-N 3.34Å; E420-S422 PolarHBondContact O-N 3.26Å; E420-R423 PolarHBondContact O-N 3.34Å; E420-L424 WeakPolarHBondContact O-CB 3.37Å; E420-L424 PolarHBondContact O-N 3.23Å |
| 421 | L | 83.7 | Confident | 83.2 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 64% | 0.644 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 174.3 | -166.3 | 95.9 | 0 | 0 | 0 | 111.1 | L417 L424 R425 | L417-L421 WeakPolarHBondContact O-CB 3.41Å; L417-L421 PolarHBondContact O-N 2.86Å; L421-L424 PolarHBondContact O-N 3.49Å; L421-R425 WeakPolarHBondContact O-CB 3.29Å; L421-R425 PolarHBondContact O-N 3.39Å |
| 422 | S | 86.4 | Confident | 82.2 | Confident | 61 Ų | 61 | 102 Ų | 102 | 43% | 0.427 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.7 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | E418 K419 E420 L424 R425 D426 | E418-S422 VanDerWaalsContact O-CB 3.31Å; E418-S422 WeakPolarHBondContact O-CB 3.4Å; E418-S422 PolarHBondContact O-N 2.87Å; K419-S422 PolarHBondContact O-N 3.05Å; E420-S422 PolarHBondContact O-N 3.26Å; S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 3.03Å; S422-R425 PolarHBondContact O-N 3.11Å; S422-D426 PolarHBondContact O-N 3.29Å |
| 423 | R | 85.6 | Confident | 81 | Confident | 180 Ų | 180 | 99 Ų | 99 | 68% | 0.679 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 175.9 | -74.6 | 174.2 | -179.6 | 178.5 | -0.2 | 112.1 | K419 E420 S427 | K419-R423 WeakPolarHBondContact O-CG 3.47Å; K419-R423 PolarHBondContact O-N 3.03Å; E420-R423 PolarHBondContact O-N 3.34Å; R423-S427 WeakPolarHBondContact O-CB 3.39Å; R423-S427 PolarHBondContact O-N 2.99Å |
| 424 | L | 78.8 | Confident | 80 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 177.2 | -155.5 | 81.6 | 0 | 0 | 0 | 109.9 | E420 L421 S422 S427 Y428 | E420-L424 WeakPolarHBondContact O-CB 3.37Å; E420-L424 PolarHBondContact O-N 3.23Å; L421-L424 PolarHBondContact O-N 3.49Å; S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 3.03Å; L424-S427 CarbonylContact O-C 3.53Å; L424-S427 WeakPolarHBondContact O-CA 3.34Å; L424-S427 VanDerWaalsContact O-CB 3.28Å; L424-S427 WeakPolarHBondContact O-CB 3.32Å; L424-S427 PolarHBondContact O-N 3.16Å; L424-S427 VanDerWaalsContact O-N 3.13Å; L424-Y428 HydrophobicContact CD2-CD2 4.37Å; L424-Y428 HydrophobicContact CD2-CE2 3.9Å; L424-Y428 HydrophobicContact CG-CD2 4.05Å; L424-Y428 HydrophobicContact CG-CE2 3.9Å; L424-Y428 VanDerWaalsContact O-CD2 3.25Å; L424-Y428 WeakPolarHBondContact O-CD2 3.03Å; L424-Y428 PolarHBondContact O-N 2.61Å |
| 425 | R | 82.8 | Confident | 78.2 | Confident | 167 Ų | 167 | 99.3 Ų | 99.3 | 63% | 0.63 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.9 | -48.7 | 174.2 | -175.2 | 175.4 | -172.7 | 161.4 | 4.7 | 111.5 | L421 S422 S427 Y428 D429 | L421-R425 WeakPolarHBondContact O-CB 3.29Å; L421-R425 PolarHBondContact O-N 3.39Å; S422-R425 PolarHBondContact O-N 3.11Å; R425-S427 PolarHBondContact O-N 3.07Å; R425-Y428 CarbonylContact O-C 3.55Å; R425-Y428 WeakPolarHBondContact O-CA 3.31Å; R425-Y428 WeakPolarHBondContact O-CB 3.45Å; R425-Y428 PolarHBondContact O-N 2.97Å; R425-D429 IonicContact NE-OD2 2.91Å; R425-D429 WeakPolarHBondContact O-CB 3.45Å; R425-D429 PolarHBondContact O-N 3.07Å |
| 426 | D | 81.9 | Confident | 76.9 | Confident | 68 Ų | 68 | 104 Ų | 104 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -34.8 | 175.4 | -64.4 | -21 | 0 | 0 | 0 | 111.8 | S422 R430 | S422-D426 PolarHBondContact O-N 3.29Å; D426-R430 VanDerWaalsContact O-CB 3.24Å; D426-R430 WeakPolarHBondContact O-CB 3.35Å; D426-R430 WeakPolarHBondContact O-CG 3.43Å; D426-R430 PolarHBondContact O-N 3.07Å; D426-R430 PolarHBondContact O-NE 2.92Å |
| 427 | S | 78.3 | Confident | 75.3 | Confident | 63 Ų | 63 | 102.9 Ų | 102.9 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 173.4 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | R423 L424 R425 A431 | R423-S427 WeakPolarHBondContact O-CB 3.39Å; R423-S427 PolarHBondContact O-N 2.99Å; L424-S427 CarbonylContact O-C 3.53Å; L424-S427 WeakPolarHBondContact O-CA 3.34Å; L424-S427 VanDerWaalsContact O-CB 3.28Å; L424-S427 WeakPolarHBondContact O-CB 3.32Å; L424-S427 PolarHBondContact O-N 3.16Å; L424-S427 VanDerWaalsContact O-N 3.13Å; R425-S427 PolarHBondContact O-N 3.07Å; S427-A431 WeakPolarHBondContact O-CB 3.44Å; S427-A431 PolarHBondContact O-N 2.8Å |
| 428 | Y | 72.3 | Confident | 73.5 | Confident | 147 Ų | 147 | 103 Ų | 103 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.7 | -47.8 | 174.7 | -89.5 | -74 | 0 | 0 | 0 | 111.3 | L424 R425 R430 A431 I432 | L424-Y428 HydrophobicContact CD2-CD2 4.37Å; L424-Y428 HydrophobicContact CD2-CE2 3.9Å; L424-Y428 HydrophobicContact CG-CD2 4.05Å; L424-Y428 HydrophobicContact CG-CE2 3.9Å; L424-Y428 VanDerWaalsContact O-CD2 3.25Å; L424-Y428 WeakPolarHBondContact O-CD2 3.03Å; L424-Y428 PolarHBondContact O-N 2.61Å; R425-Y428 CarbonylContact O-C 3.55Å; R425-Y428 WeakPolarHBondContact O-CA 3.31Å; R425-Y428 WeakPolarHBondContact O-CB 3.45Å; R425-Y428 PolarHBondContact O-N 2.97Å; Y428-R430 VanDerWaalsContact C-N 3.28Å; Y428-R430 PolarHBondContact O-N 2.95Å; Y428-A431 CarbonylContact O-C 3.56Å; Y428-A431 WeakPolarHBondContact O-CA 3.44Å; Y428-A431 WeakPolarHBondContact O-CB 3.35Å; Y428-A431 PolarHBondContact O-N 3.43Å; Y428-I432 WeakPolarHBondContact O-CB 3.33Å; Y428-I432 VanDerWaalsContact O-CG1 3.26Å; Y428-I432 WeakPolarHBondContact O-CG1 3.49Å; Y428-I432 PolarHBondContact O-N 3.26Å |
| 429 | D | 76.6 | Confident | 72 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 177.8 | -68.1 | -19.7 | 0 | 0 | 0 | 110.7 | R425 A431 G433 | R425-D429 IonicContact NE-OD2 2.91Å; R425-D429 WeakPolarHBondContact O-CB 3.45Å; R425-D429 PolarHBondContact O-N 3.07Å; D429-A431 VanDerWaalsContact C-N 3.34Å; D429-G433 PolarHBondContact O-N 3.01Å |
| 430 | R | 77.2 | Confident | 70.2 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -27 | 169.9 | -76.4 | -175.8 | -69.8 | -101.7 | -2.4 | 113.8 | D426 Y428 R434 | D426-R430 VanDerWaalsContact O-CB 3.24Å; D426-R430 WeakPolarHBondContact O-CB 3.35Å; D426-R430 WeakPolarHBondContact O-CG 3.43Å; D426-R430 PolarHBondContact O-N 3.07Å; D426-R430 PolarHBondContact O-NE 2.92Å; Y428-R430 VanDerWaalsContact C-N 3.28Å; Y428-R430 PolarHBondContact O-N 2.95Å; R430-R434 WeakPolarHBondContact O-CB 3.44Å; R430-R434 VanDerWaalsContact O-CG 3.28Å; R430-R434 WeakPolarHBondContact O-CG 3.42Å; R430-R434 PolarHBondContact O-N 2.9Å; R430-R434 PolarHBondContact O-NE 3.04Å |
| 431 | A | 69.3 | Low | 68.4 | Low | 37 Ų | 37 | 99.2 Ų | 99.2 | 31% | 0.306 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -81 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S427 Y428 D429 R434 A435 | S427-A431 WeakPolarHBondContact O-CB 3.44Å; S427-A431 PolarHBondContact O-N 2.8Å; Y428-A431 CarbonylContact O-C 3.56Å; Y428-A431 WeakPolarHBondContact O-CA 3.44Å; Y428-A431 WeakPolarHBondContact O-CB 3.35Å; Y428-A431 PolarHBondContact O-N 3.43Å; D429-A431 VanDerWaalsContact C-N 3.34Å; A431-R434 CarbonylContact O-C 3.53Å; A431-R434 WeakPolarHBondContact O-CB 3.33Å; A431-R434 PolarHBondContact O-N 2.7Å; A431-A435 WeakPolarHBondContact O-CB 3.33Å; A431-A435 PolarHBondContact O-N 2.8Å |
| 432 | I | 66.4 | Low | 66.8 | Low | 74 Ų | 74 | 99.6 Ų | 99.6 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -51.5 | 174.2 | -67.9 | 166.5 | 0 | 0 | 0 | 109.1 | Y428 R434 A435 E436 | Y428-I432 WeakPolarHBondContact O-CB 3.33Å; Y428-I432 VanDerWaalsContact O-CG1 3.26Å; Y428-I432 WeakPolarHBondContact O-CG1 3.49Å; Y428-I432 PolarHBondContact O-N 3.26Å; I432-R434 PolarHBondContact O-N 3.39Å; I432-R434 VanDerWaalsContact O-N 3.1Å; I432-A435 CarbonylContact O-C 3.6Å; I432-A435 WeakPolarHBondContact O-CA 3.49Å; I432-A435 PolarHBondContact O-N 3.09Å; I432-E436 HydrophobicContact CG2-CG 3.84Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.36Å; I432-E436 WeakPolarHBondContact O-CB 3.41Å; I432-E436 WeakPolarHBondContact O-CG 3.42Å; I432-E436 PolarHBondContact O-N 3.41Å |
| 433 | G | 65.2 | Low | 65 | Low | 28 Ų | 28 | 96.8 Ų | 96.8 | 29% | 0.289 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -23.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D429 N437 | D429-G433 PolarHBondContact O-N 3.01Å; G433-N437 PolarHBondContact O-ND2 2.92Å |
| 434 | R | 63.4 | Low | 63.4 | Low | 175 Ų | 175 | 91 Ų | 91 | 66% | 0.66 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.8 | -28.6 | 168.7 | -81.6 | -175 | -91.2 | -152.8 | 1 | 113.3 | R430 A431 I432 | R430-R434 WeakPolarHBondContact O-CB 3.44Å; R430-R434 VanDerWaalsContact O-CG 3.28Å; R430-R434 WeakPolarHBondContact O-CG 3.42Å; R430-R434 PolarHBondContact O-N 2.9Å; R430-R434 PolarHBondContact O-NE 3.04Å; A431-R434 CarbonylContact O-C 3.53Å; A431-R434 WeakPolarHBondContact O-CB 3.33Å; A431-R434 PolarHBondContact O-N 2.7Å; I432-R434 PolarHBondContact O-N 3.39Å; I432-R434 VanDerWaalsContact O-N 3.1Å |
| 435 | A | 51.6 | Low | 62.2 | Low | 10 Ų | 10 | 91 Ų | 91 | 8% | 0.083 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -89.3 | -21.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | A431 I432 N438 | A431-A435 WeakPolarHBondContact O-CB 3.33Å; A431-A435 PolarHBondContact O-N 2.8Å; I432-A435 CarbonylContact O-C 3.6Å; I432-A435 WeakPolarHBondContact O-CA 3.49Å; I432-A435 PolarHBondContact O-N 3.09Å; A435-N438 CarbonylContact C-O 3.5Å; A435-N438 CarbonylContact O-C 3.57Å |
| 436 | E | 58.7 | Low | 60.7 | Low | 147 Ų | 147 | 87.1 Ų | 87.1 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -80 | -34.2 | 173.8 | -74.3 | 178.2 | 165.8 | 0 | 0 | 110.5 | I432 N438 | I432-E436 HydrophobicContact CG2-CG 3.84Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.36Å; I432-E436 WeakPolarHBondContact O-CB 3.41Å; I432-E436 WeakPolarHBondContact O-CG 3.42Å; I432-E436 PolarHBondContact O-N 3.41Å; E436-N438 PolarHBondContact O-N 3.42Å |
| 437 | N | 56.7 | Low | 59 | Low | 141 Ų | 141 | 84.6 Ų | 84.6 | 75% | 0.754 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -77.1 | -6.5 | 172.6 | -73.7 | -44.9 | 0 | 0 | 0 | 113.5 | G433 | G433-N437 PolarHBondContact O-ND2 2.92Š|
| 438 | N | 48.3 | Very low | 57.9 | Low | 107 Ų | 107 | 85.5 Ų | 85.5 | 57% | 0.572 | 45% | 0.449 | S | S | * | . | trans | -146.4 | 99.2 | 175.2 | -85.2 | -30.4 | 0 | 0 | 0 | 107.4 | A435 E436 A440 G441 | A435-N438 CarbonylContact C-O 3.5Å; A435-N438 CarbonylContact O-C 3.57Å; E436-N438 PolarHBondContact O-N 3.42Å; N438-A440 HydrophobicContact CB-CB 4.43Å; N438-A440 CarbonylContact O-C 3.59Å; N438-A440 PolarHBondContact O-N 2.77Å; N438-G441 PolarHBondContact O-N 2.97Å | ||
| 439 | E | 54.4 | Low | 57.1 | Low | 178 Ų | 178 | 86.8 Ų | 86.8 | 83% | 0.832 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -21.9 | 170.3 | -70.2 | -175.1 | 150.1 | 0 | 0 | 112.4 | G441 | E439-G441 VanDerWaalsContact C-N 3.26Å; E439-G441 PolarHBondContact O-N 3.33Å |
| 440 | A | 50.2 | Low | 56.1 | Low | 48 Ų | 48 | 86.1 Ų | 86.1 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -15.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N438 S444 | N438-A440 HydrophobicContact CB-CB 4.43Å; N438-A440 CarbonylContact O-C 3.59Å; N438-A440 PolarHBondContact O-N 2.77Å; A440-S444 VanDerWaalsContact O-CB 3.23Å; A440-S444 WeakPolarHBondContact O-CB 3.24Å; A440-S444 PolarHBondContact O-N 3.05Å |
| 441 | G | 47.8 | Very low | 55.2 | Low | 13 Ų | 13 | 83.2 Ų | 83.2 | 13% | 0.134 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -81.1 | -39.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | N438 E439 A443 S444 N445 | N438-G441 PolarHBondContact O-N 2.97Å; E439-G441 VanDerWaalsContact C-N 3.26Å; E439-G441 PolarHBondContact O-N 3.33Å; G441-A443 VanDerWaalsContact C-N 3.32Å; G441-S444 WeakPolarHBondContact O-CB 3.47Å; G441-S444 PolarHBondContact O-N 2.84Å; G441-S444 VanDerWaalsContact O-N 3.16Å; G441-N445 PolarHBondContact O-N 3.4Å |
| 442 | L | 51.7 | Low | 54.4 | Low | 130 Ų | 130 | 84 Ų | 84 | 68% | 0.681 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 169.2 | -85.6 | 142.9 | 0 | 0 | 0 | 110.2 | S444 N445 F446 | L442-S444 VanDerWaalsContact C-N 3.3Å; L442-S444 PolarHBondContact O-N 3.16Å; L442-N445 PolarHBondContact O-N 3.26Å; L442-F446 PolarHBondContact O-N 3.41Å |
| 443 | A | 48.3 | Very low | 54.5 | Low | 2 Ų | 2 | 85.9 Ų | 85.9 | 2% | 0.017 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G441 A447 T454 A457 I458 | G441-A443 VanDerWaalsContact C-N 3.32Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 2.92Å; A443-T454 HydrophobicContact CB-CG2 3.94Å; A443-A457 HydrophobicContact CB-CB 4.41Å; A443-I458 HydrophobicContact CB-CD1 4.21Å; A443-I458 HydrophobicContact CB-CG1 3.94Å |
| 444 | S | 51.3 | Low | 54.6 | Low | 58 Ų | 58 | 87 Ų | 87 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | A440 G441 L442 A447 A448 | A440-S444 VanDerWaalsContact O-CB 3.23Å; A440-S444 WeakPolarHBondContact O-CB 3.24Å; A440-S444 PolarHBondContact O-N 3.05Å; G441-S444 WeakPolarHBondContact O-CB 3.47Å; G441-S444 PolarHBondContact O-N 2.84Å; G441-S444 VanDerWaalsContact O-N 3.16Å; L442-S444 VanDerWaalsContact C-N 3.3Å; L442-S444 PolarHBondContact O-N 3.16Å; S444-A447 WeakPolarHBondContact O-CB 3.21Å; S444-A448 VanDerWaalsContact O-CB 3.32Å; S444-A448 WeakPolarHBondContact O-CB 3.37Å; S444-A448 PolarHBondContact O-N 3.17Å |
| 445 | N | 53.1 | Low | 55.1 | Low | 100 Ų | 100 | 85.1 Ų | 85.1 | 54% | 0.535 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.2 | -39.1 | 177.4 | -77.6 | -24.3 | 0 | 0 | 0 | 111.4 | G441 L442 A448 Q449 | G441-N445 PolarHBondContact O-N 3.4Å; L442-N445 PolarHBondContact O-N 3.26Å; N445-A448 PolarHBondContact O-N 3.3Å; N445-Q449 PolarHBondContact O-N 3.29Å |
| 446 | F | 51.4 | Low | 56.2 | Low | 87 Ų | 87 | 89.3 Ų | 89.3 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 171.2 | -166.3 | -97.1 | 0 | 0 | 0 | 111 | L442 A448 Q449 T450 A457 | L442-F446 PolarHBondContact O-N 3.41Å; F446-A448 PolarHBondContact O-N 3Å; F446-Q449 PolarHBondContact O-N 2.99Å; F446-T450 HydrophobicContact CE1-CG2 4.35Å; F446-T450 HydrophobicContact CZ-CG2 4.43Å; F446-T450 PolarHBondContact O-N 3.48Å; F446-T450 PolarHBondContact O-OG1 3.2Å; F446-A457 HydrophobicContact CD1-CB 3.94Å |
| 447 | A | 46.7 | Very low | 56.8 | Low | 15 Ų | 15 | 82.4 Ų | 82.4 | 12% | 0.124 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -57.3 | -41.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A443 S444 T450 G451 M452 | A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 2.92Å; S444-A447 WeakPolarHBondContact O-CB 3.21Å; A447-T450 PolarHBondContact O-N 3.42Å; A447-G451 VanDerWaalsContact O-CA 3.23Å; A447-G451 WeakPolarHBondContact O-CA 3.37Å; A447-G451 PolarHBondContact O-N 3.39Å; A447-M452 VanDerWaalsContact CA-O 3.32Å; A447-M452 WeakPolarHBondContact CA-O 3.34Å; A447-M452 WeakPolarHBondContact CB-O 3.32Å; A447-M452 PolarHBondContact O-N 2.87Å |
| 448 | A | 56.6 | Low | 57.7 | Low | 82 Ų | 82 | 79.2 Ų | 79.2 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.7 | -32.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S444 N445 F446 | S444-A448 VanDerWaalsContact O-CB 3.32Å; S444-A448 WeakPolarHBondContact O-CB 3.37Å; S444-A448 PolarHBondContact O-N 3.17Å; N445-A448 PolarHBondContact O-N 3.3Å; F446-A448 PolarHBondContact O-N 3Å |
| 449 | Q | 55.4 | Low | 59 | Low | 174 Ų | 174 | 79.2 Ų | 79.2 | 81% | 0.813 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -78.3 | -29.5 | 174.6 | -77.8 | -176.3 | 0.6 | 0 | 0 | 113.5 | N445 F446 | N445-Q449 PolarHBondContact O-N 3.29Å; F446-Q449 PolarHBondContact O-N 2.99Å |
| 450 | T | 55 | Low | 59.8 | Low | 67 Ų | 67 | 76.2 Ų | 76.2 | 41% | 0.411 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -112.6 | -3 | -174.5 | 49.9 | 0 | 0 | 0 | 0 | 115.3 | F446 A447 M452 | F446-T450 HydrophobicContact CE1-CG2 4.35Å; F446-T450 HydrophobicContact CZ-CG2 4.43Å; F446-T450 PolarHBondContact O-N 3.48Å; F446-T450 PolarHBondContact O-OG1 3.2Å; A447-T450 PolarHBondContact O-N 3.42Å; T450-M452 VanDerWaalsContact C-N 3.32Å; T450-M452 PolarHBondContact O-N 3.08Å |
| 451 | G | 57.8 | Low | 60.9 | Low | 75 Ų | 75 | 77.8 Ų | 77.8 | 77% | 0.773 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 25.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A447 | A447-G451 VanDerWaalsContact O-CA 3.23Å; A447-G451 WeakPolarHBondContact O-CA 3.37Å; A447-G451 PolarHBondContact O-N 3.39Å |
| 452 | M | 52.7 | Low | 62.3 | Low | 52 Ų | 52 | 82.5 Ų | 82.5 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | trans | -110.5 | 149.8 | -171.2 | -76.5 | 177.3 | 155 | 0 | 0 | 113.2 | A447 T450 R460 | A447-M452 VanDerWaalsContact CA-O 3.32Å; A447-M452 WeakPolarHBondContact CA-O 3.34Å; A447-M452 WeakPolarHBondContact CB-O 3.32Å; A447-M452 PolarHBondContact O-N 2.87Å; T450-M452 VanDerWaalsContact C-N 3.32Å; T450-M452 PolarHBondContact O-N 3.08Å; M452-R460 VanDerWaalsContact CE-CZ 3.42Å; M452-R460 VanDerWaalsContact SD-CZ 3.53Å; M452-R460 PolarHBondContact SD-NH1 2.91Å | ||
| 453 | N | 68.7 | Low | 63.5 | Low | 114 Ų | 114 | 80.8 Ų | 80.8 | 61% | 0.61 | 43% | 0.434 | S | S | * | . | trans | -65.2 | 145.1 | 176.7 | -75.3 | -16.6 | 0 | 0 | 0 | 111.2 | E455 Q456 A457 | N453-E455 VanDerWaalsContact C-N 3.26Å; N453-E455 PolarHBondContact O-N 2.88Å; N453-Q456 HydrophobicContact CB-CG 4.3Å; N453-Q456 WeakPolarHBondContact O-CB 3.49Å; N453-Q456 PolarHBondContact O-N 3.32Å; N453-A457 PolarHBondContact O-N 3.01Å | ||
| 454 | T | 67.7 | Low | 64.7 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 31% | 0.313 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53.5 | -41.7 | 179.9 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | A443 Q456 A457 I458 | A443-T454 HydrophobicContact CB-CG2 3.94Å; T454-Q456 VanDerWaalsContact C-N 3.35Å; T454-Q456 PolarHBondContact O-N 2.86Å; T454-A457 WeakPolarHBondContact O-CB 3.44Å; T454-A457 PolarHBondContact O-N 3.38Å; T454-A457 VanDerWaalsContact O-N 3.16Å; T454-I458 WeakPolarHBondContact O-CG1 3.38Å; T454-I458 PolarHBondContact O-N 3.19Å |
| 455 | E | 73.3 | Confident | 65.9 | Low | 137 Ų | 137 | 88.9 Ų | 88.9 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 177.6 | -159.5 | 66.3 | -163.6 | 0 | 0 | 112.3 | N453 A457 I458 E459 | N453-E455 VanDerWaalsContact C-N 3.26Å; N453-E455 PolarHBondContact O-N 2.88Å; E455-A457 VanDerWaalsContact C-N 3.29Å; E455-A457 PolarHBondContact O-N 3.33Å; E455-I458 PolarHBondContact O-N 3.28Å; E455-E459 WeakPolarHBondContact O-CB 3.26Å; E455-E459 PolarHBondContact O-N 2.93Å |
| 456 | Q | 73.8 | Confident | 67.1 | Low | 98 Ų | 98 | 90.2 Ų | 90.2 | 46% | 0.458 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.5 | -30.5 | 177.6 | -66.1 | 178.6 | -13 | 0 | 0 | 111.8 | N453 T454 R460 | N453-Q456 HydrophobicContact CB-CG 4.3Å; N453-Q456 WeakPolarHBondContact O-CB 3.49Å; N453-Q456 PolarHBondContact O-N 3.32Å; T454-Q456 VanDerWaalsContact C-N 3.35Å; T454-Q456 PolarHBondContact O-N 2.86Å; Q456-R460 WeakPolarHBondContact O-CB 3.42Å; Q456-R460 WeakPolarHBondContact O-CG 3.41Å; Q456-R460 PolarHBondContact O-N 2.92Å; Q456-R460 VanDerWaalsContact O-N 3.15Å |
| 457 | A | 71.9 | Confident | 68.6 | Low | 1 Ų | 1 | 88.2 Ų | 88.2 | 1% | 0.008 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.5 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A443 F446 N453 T454 E455 R460 L461 | A443-A457 HydrophobicContact CB-CB 4.41Å; F446-A457 HydrophobicContact CD1-CB 3.94Å; N453-A457 PolarHBondContact O-N 3.01Å; T454-A457 WeakPolarHBondContact O-CB 3.44Å; T454-A457 PolarHBondContact O-N 3.38Å; T454-A457 VanDerWaalsContact O-N 3.16Å; E455-A457 VanDerWaalsContact C-N 3.29Å; E455-A457 PolarHBondContact O-N 3.33Å; A457-R460 PolarHBondContact O-N 2.91Å; A457-L461 VanDerWaalsContact O-CG 3.32Å; A457-L461 WeakPolarHBondContact O-CG 2.82Å; A457-L461 PolarHBondContact O-N 3.5Å |
| 458 | I | 76 | Confident | 70.4 | Confident | 75 Ų | 75 | 90 Ų | 90 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 177.2 | -66.2 | 165.7 | 0 | 0 | 0 | 110.6 | A443 T454 E455 R460 L461 K462 | A443-I458 HydrophobicContact CB-CD1 4.21Å; A443-I458 HydrophobicContact CB-CG1 3.94Å; T454-I458 WeakPolarHBondContact O-CG1 3.38Å; T454-I458 PolarHBondContact O-N 3.19Å; E455-I458 PolarHBondContact O-N 3.28Å; I458-R460 VanDerWaalsContact C-N 3.27Å; I458-R460 PolarHBondContact O-N 2.92Å; I458-L461 PolarHBondContact O-N 3.17Å; I458-K462 PolarHBondContact O-N 3.22Å |
| 459 | E | 75.3 | Confident | 71.9 | Confident | 107 Ų | 107 | 86.7 Ų | 86.7 | 50% | 0.5 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 178.3 | -175.6 | 59.6 | -157.1 | 0 | 0 | 111.3 | E455 K462 M463 | E455-E459 WeakPolarHBondContact O-CB 3.26Å; E455-E459 PolarHBondContact O-N 2.93Å; E459-K462 PolarHBondContact O-N 3.23Å; E459-M463 VanDerWaalsContact O-CG 3.29Å; E459-M463 WeakPolarHBondContact O-CG 3.31Å; E459-M463 PolarHBondContact O-N 3.28Å |
| 460 | R | 71.7 | Confident | 73.3 | Confident | 115 Ų | 115 | 79.8 Ų | 79.8 | 43% | 0.434 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 176.5 | -77.5 | 178.4 | -178.2 | -171.3 | 6.1 | 113.7 | M452 Q456 A457 I458 K462 M463 L464 | M452-R460 VanDerWaalsContact CE-CZ 3.42Å; M452-R460 VanDerWaalsContact SD-CZ 3.53Å; M452-R460 PolarHBondContact SD-NH1 2.91Å; Q456-R460 WeakPolarHBondContact O-CB 3.42Å; Q456-R460 WeakPolarHBondContact O-CG 3.41Å; Q456-R460 PolarHBondContact O-N 2.92Å; Q456-R460 VanDerWaalsContact O-N 3.15Å; A457-R460 PolarHBondContact O-N 2.91Å; I458-R460 VanDerWaalsContact C-N 3.27Å; I458-R460 PolarHBondContact O-N 2.92Å; R460-K462 VanDerWaalsContact C-N 3.29Å; R460-M463 PolarHBondContact O-N 3.45Å; R460-L464 WeakPolarHBondContact O-CB 3.25Å; R460-L464 VanDerWaalsContact O-CG 3.29Å; R460-L464 WeakPolarHBondContact O-CG 3.2Å; R460-L464 PolarHBondContact O-N 3.33Å |
| 461 | L | 72.9 | Confident | 74.6 | Confident | 81 Ų | 81 | 77.5 Ų | 77.5 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.6 | -74.9 | 168.7 | 0 | 0 | 0 | 110.1 | A457 I458 M463 L464 E465 | A457-L461 VanDerWaalsContact O-CG 3.32Å; A457-L461 WeakPolarHBondContact O-CG 2.82Å; A457-L461 PolarHBondContact O-N 3.5Å; I458-L461 PolarHBondContact O-N 3.17Å; L461-M463 PolarHBondContact O-N 3.03Å; L461-L464 PolarHBondContact O-N 3.25Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L461-E465 WeakPolarHBondContact O-CG 3.46Å; L461-E465 PolarHBondContact O-N 3.45Å |
| 462 | K | 76.4 | Confident | 75.8 | Confident | 112 Ų | 112 | 80.8 Ų | 80.8 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 175.2 | -169.1 | 179.7 | 177 | -173.8 | 0 | 112.2 | I458 E459 R460 L464 E465 E466 | I458-K462 PolarHBondContact O-N 3.22Å; E459-K462 PolarHBondContact O-N 3.23Å; R460-K462 VanDerWaalsContact C-N 3.29Å; K462-L464 VanDerWaalsContact C-N 3.29Å; K462-L464 PolarHBondContact O-N 2.91Å; K462-E465 PolarHBondContact O-N 2.86Å; K462-E466 WeakPolarHBondContact O-CG 3.27Å; K462-E466 PolarHBondContact O-N 3.35Å |
| 463 | M | 76.6 | Confident | 77.3 | Confident | 93 Ų | 93 | 82.2 Ų | 82.2 | 46% | 0.458 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 174.5 | -72 | -176.2 | 77.3 | 0 | 0 | 113 | E459 R460 L461 Q467 | E459-M463 VanDerWaalsContact O-CG 3.29Å; E459-M463 WeakPolarHBondContact O-CG 3.31Å; E459-M463 PolarHBondContact O-N 3.28Å; R460-M463 PolarHBondContact O-N 3.45Å; L461-M463 PolarHBondContact O-N 3.03Å; M463-Q467 VanDerWaalsContact O-CG 3.31Å; M463-Q467 WeakPolarHBondContact O-CG 3.37Å; M463-Q467 PolarHBondContact O-N 2.93Å |
| 464 | L | 75.2 | Confident | 77.8 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 47% | 0.466 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73 | -39.8 | 176.8 | -73.6 | 168.8 | 0 | 0 | 0 | 111.5 | R460 L461 K462 E466 Q467 I468 | R460-L464 WeakPolarHBondContact O-CB 3.25Å; R460-L464 VanDerWaalsContact O-CG 3.29Å; R460-L464 WeakPolarHBondContact O-CG 3.2Å; R460-L464 PolarHBondContact O-N 3.33Å; L461-L464 PolarHBondContact O-N 3.25Å; L461-L464 VanDerWaalsContact O-N 3.17Å; K462-L464 VanDerWaalsContact C-N 3.29Å; K462-L464 PolarHBondContact O-N 2.91Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 2.96Å; L464-Q467 WeakPolarHBondContact O-CB 3.49Å; L464-Q467 PolarHBondContact O-N 2.88Å; L464-Q467 VanDerWaalsContact O-N 3.13Å; L464-I468 WeakPolarHBondContact O-CG1 3.38Å; L464-I468 PolarHBondContact O-N 3.42Å |
| 465 | E | 75.9 | Confident | 78.5 | Confident | 141 Ų | 141 | 82.2 Ų | 82.2 | 66% | 0.659 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62 | -40 | 174.5 | -76.3 | -176.6 | 169 | 0 | 0 | 111.9 | L461 K462 Q467 I468 | L461-E465 WeakPolarHBondContact O-CG 3.46Å; L461-E465 PolarHBondContact O-N 3.45Å; K462-E465 PolarHBondContact O-N 2.86Å; E465-Q467 PolarHBondContact O-N 3.17Å; E465-I468 PolarHBondContact O-N 3.41Å |
| 466 | E | 78.8 | Confident | 79.1 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 60% | 0.598 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.7 | -26.4 | 174.1 | -73.8 | 175.4 | -171.9 | 0 | 0 | 113 | K462 L464 I468 | K462-E466 WeakPolarHBondContact O-CG 3.27Å; K462-E466 PolarHBondContact O-N 3.35Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 2.96Å; E466-I468 VanDerWaalsContact C-N 3.33Å |
| 467 | Q | 82.4 | Confident | 79.8 | Confident | 46 Ų | 46 | 82.8 Ų | 82.8 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -79.5 | -15.5 | 178.3 | -74.1 | 173.9 | 12 | 0 | 0 | 113.9 | L135 P179 H181 M463 L464 E465 | L135-Q467 HydrophobicContact CD1-CB 3.82Å; P179-Q467 HydrophobicContact CB-CG 4.29Å; H181-Q467 WeakPolarHBondContact NE2-CA 3.36Å; M463-Q467 VanDerWaalsContact O-CG 3.31Å; M463-Q467 WeakPolarHBondContact O-CG 3.37Å; M463-Q467 PolarHBondContact O-N 2.93Å; L464-Q467 WeakPolarHBondContact O-CB 3.49Å; L464-Q467 PolarHBondContact O-N 2.88Å; L464-Q467 VanDerWaalsContact O-N 3.13Å; E465-Q467 PolarHBondContact O-N 3.17Å |
| 468 | I | 84.7 | Confident | 80.6 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 27% | 0.272 | 44% | 0.444 | S | S | . | . | trans | -87.9 | 125.6 | -176.9 | -65.1 | 167.4 | 0 | 0 | 0 | 109.6 | K133 L464 E465 E466 | K133-I468 HydrophobicContact CB-CG2 3.49Å; K133-I468 VanDerWaalsContact CB-CG2 3.49Å; K133-I468 HydrophobicContact CD-CG2 3.72Å; K133-I468 HydrophobicContact CG-CG2 3.91Å; L464-I468 WeakPolarHBondContact O-CG1 3.38Å; L464-I468 PolarHBondContact O-N 3.42Å; E465-I468 PolarHBondContact O-N 3.41Å; E466-I468 VanDerWaalsContact C-N 3.33Å | ||
| 469 | I | 88.4 | Confident | 81.1 | Confident | 12 Ų | 12 | 84.1 Ų | 84.1 | 6% | 0.062 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 147.7 | -176.7 | 53.2 | 167.6 | 0 | 0 | 0 | 111.6 | F123 I126 F134 I136 H181 | F123-I469 HydrophobicContact CD1-CD1 3.85Å; F123-I469 HydrophobicContact CE1-CD1 3.47Å; F123-I469 VanDerWaalsContact CE1-CD1 3.47Å; I126-I469 HydrophobicContact CG2-CB 4.47Å; I126-I469 HydrophobicContact CG2-CD1 4.01Å; I126-I469 HydrophobicContact CG2-CG1 3.99Å; F134-I469 HydrophobicContact CB-CG1 4.36Å; F134-I469 PolarHBondContact N-O 2.82Å; F134-I469 WeakPolarHBondContact O-CG1 3.45Å; F134-I469 PolarHBondContact O-N 3.42Å; I136-I469 HydrophobicContact CD1-CD1 4.08Å; I136-I469 HydrophobicContact CG1-CD1 4.44Å; H181-I469 HydrophobicContact CB-CG2 4.22Å |
| 470 | G | 84 | Confident | 81.8 | Confident | 29 Ų | 29 | 81.1 Ų | 81.1 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | trans | 164.5 | 137.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E472 | G470-E472 PolarHBondContact O-N 2.85Š| ||
| 471 | G | 82.8 | Confident | 82.6 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | trans | 76.2 | 9.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117 | I126 S127 Q473 L474 | I126-G471 PolarHBondContact O-N 2.78Å; S127-G471 CarbonylContact O-C 3.56Å; G471-Q473 VanDerWaalsContact C-N 3.26Å; G471-Q473 PolarHBondContact O-N 3.5Å; G471-L474 WeakPolarHBondContact O-CD1 3.38Å; G471-L474 VanDerWaalsContact O-CG 3.24Å; G471-L474 WeakPolarHBondContact O-CG 3.38Å; G471-L474 PolarHBondContact O-N 3.45Å | ||
| 472 | E | 83.4 | Confident | 83.5 | Confident | 144 Ų | 144 | 82.7 Ų | 82.7 | 67% | 0.673 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.9 | -176.3 | -63.6 | 178 | -179.2 | 0 | 0 | 114.3 | S127 G470 | S127-E472 PolarHBondContact O-N 2.95Å; G470-E472 PolarHBondContact O-N 2.85Å |
| 473 | Q | 82.4 | Confident | 84.1 | Confident | 82 Ų | 82 | 78.6 Ų | 78.6 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 18.4 | -173.7 | -64.9 | -178.6 | -31.3 | 0 | 0 | 113.2 | S127 G471 S475 N476 L479 | S127-Q473 CarbonylContact O-C 3.55Å; S127-Q473 WeakPolarHBondContact O-CA 3.2Å; S127-Q473 PolarHBondContact O-N 2.85Å; S127-Q473 PolarHBondContact OG-OE1 2.89Å; G471-Q473 VanDerWaalsContact C-N 3.26Å; G471-Q473 PolarHBondContact O-N 3.5Å; Q473-S475 PolarHBondContact O-N 3.33Å; Q473-N476 WeakPolarHBondContact O-CB 3.5Å; Q473-N476 PolarHBondContact O-N 3.42Å; Q473-L479 HydrophobicContact CB-CD2 4.01Å; Q473-L479 HydrophobicContact CG-CD2 4.49Å |
| 474 | L | 80 | Confident | 84.8 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30 | 176.2 | -70.4 | 171.2 | 0 | 0 | 0 | 113.3 | T128 E130 G471 N476 | T128-L474 VanDerWaalsContact O-CD2 3.29Å; T128-L474 WeakPolarHBondContact O-CD2 3.23Å; E130-L474 HydrophobicContact CB-CD2 4.43Å; E130-L474 HydrophobicContact CG-CD1 3.82Å; E130-L474 HydrophobicContact CG-CD2 3.31Å; E130-L474 HydrophobicContact CG-CG 4.18Å; G471-L474 WeakPolarHBondContact O-CD1 3.38Å; G471-L474 VanDerWaalsContact O-CG 3.24Å; G471-L474 WeakPolarHBondContact O-CG 3.38Å; G471-L474 PolarHBondContact O-N 3.45Å; L474-N476 PolarHBondContact O-N 3.45Å |
| 475 | S | 82.3 | Confident | 85.5 | Confident | 107 Ų | 107 | 78.4 Ų | 78.4 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.1 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | Q473 K477 | Q473-S475 PolarHBondContact O-N 3.33Å; S475-K477 PolarHBondContact O-N 3.31Å |
| 476 | N | 87 | Confident | 86.3 | Confident | 76 Ų | 76 | 74.9 Ų | 74.9 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -82.7 | 79 | -179 | -168.1 | -12.3 | 0 | 0 | 0 | 111 | Q473 L474 A478 L479 V480 | Q473-N476 WeakPolarHBondContact O-CB 3.5Å; Q473-N476 PolarHBondContact O-N 3.42Å; L474-N476 PolarHBondContact O-N 3.45Å; N476-A478 PolarHBondContact O-N 2.91Å; N476-A478 VanDerWaalsContact O-N 3.11Å; N476-L479 HydrophobicContact CB-CB 4.16Å; N476-L479 WeakPolarHBondContact O-CB 3.32Å; N476-L479 PolarHBondContact O-N 3.48Å; N476-L479 PolarHBondContact OD1-N 3.3Å; N476-V480 PolarHBondContact O-N 3.47Å; N476-V480 VanDerWaalsContact O-N 3.14Å | ||
| 477 | K | 86.8 | Confident | 86.9 | Confident | 170 Ų | 170 | 72 Ų | 72 | 74% | 0.739 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -52.7 | -34.8 | -179.2 | -64.3 | -175.6 | 179.5 | -178.9 | 0 | 113.5 | S475 V480 E481 | S475-K477 PolarHBondContact O-N 3.31Å; K477-V480 PolarHBondContact O-N 3.45Å; K477-E481 WeakPolarHBondContact O-CB 3.19Å; K477-E481 PolarHBondContact O-N 2.99Å |
| 478 | A | 89.7 | Confident | 87.4 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N476 K482 | N476-A478 PolarHBondContact O-N 2.91Å; N476-A478 VanDerWaalsContact O-N 3.11Å; A478-K482 VanDerWaalsContact O-CB 3.25Å; A478-K482 WeakPolarHBondContact O-CB 3.12Å; A478-K482 PolarHBondContact O-N 2.98Å |
| 479 | L | 87.2 | Confident | 87.7 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 176.4 | -174.4 | 66.6 | 0 | 0 | 0 | 111.4 | E124 T128 Q473 N476 E481 K482 R483 | E124-L479 HydrophobicContact CG-CD1 4.25Å; T128-L479 HydrophobicContact CG2-CD2 3.83Å; T128-L479 HydrophobicContact CG2-CG 3.96Å; Q473-L479 HydrophobicContact CB-CD2 4.01Å; Q473-L479 HydrophobicContact CG-CD2 4.49Å; N476-L479 HydrophobicContact CB-CB 4.16Å; N476-L479 WeakPolarHBondContact O-CB 3.32Å; N476-L479 PolarHBondContact O-N 3.48Å; N476-L479 PolarHBondContact OD1-N 3.3Å; L479-E481 PolarHBondContact O-N 2.88Å; L479-K482 PolarHBondContact O-N 3.3Å; L479-R483 WeakPolarHBondContact O-CB 3.39Å; L479-R483 PolarHBondContact O-N 3.47Å |
| 480 | V | 88.1 | Confident | 87.8 | Confident | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 177 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | T128 N476 K477 R483 K484 | T128-V480 HydrophobicContact CG2-CG2 4.11Å; N476-V480 PolarHBondContact O-N 3.47Å; N476-V480 VanDerWaalsContact O-N 3.14Å; K477-V480 PolarHBondContact O-N 3.45Å; V480-R483 PolarHBondContact O-N 3.44Å; V480-K484 WeakPolarHBondContact O-CB 3.43Å; V480-K484 PolarHBondContact O-N 3.35Å |
| 481 | E | 90.3 | Very high | 88.1 | Confident | 104 Ų | 104 | 79 Ų | 79 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67 | -41 | 176.5 | -76 | -61.1 | 143.8 | 0 | 0 | 112.3 | K477 L479 R483 K484 Q485 | K477-E481 WeakPolarHBondContact O-CB 3.19Å; K477-E481 PolarHBondContact O-N 2.99Å; L479-E481 PolarHBondContact O-N 2.88Å; E481-R483 VanDerWaalsContact C-N 3.31Å; E481-R483 PolarHBondContact O-N 2.71Å; E481-K484 PolarHBondContact O-N 2.89Å; E481-K484 IonicContact OE1-NZ 2.67Å; E481-Q485 WeakPolarHBondContact O-CB 3.45Å; E481-Q485 PolarHBondContact O-N 3.48Å |
| 482 | K | 90.3 | Very high | 88.6 | Confident | 124 Ų | 124 | 85.5 Ų | 85.5 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 174.1 | -178.3 | -178.6 | 179.8 | -177.5 | 0 | 111.5 | A478 L479 Q485 K486 | A478-K482 VanDerWaalsContact O-CB 3.25Å; A478-K482 WeakPolarHBondContact O-CB 3.12Å; A478-K482 PolarHBondContact O-N 2.98Å; L479-K482 PolarHBondContact O-N 3.3Å; K482-Q485 WeakPolarHBondContact O-CB 3.48Å; K482-Q485 PolarHBondContact O-N 3.15Å; K482-K486 WeakPolarHBondContact O-CG 3.25Å; K482-K486 PolarHBondContact O-N 3.49Å |
| 483 | R | 89.8 | Confident | 88.8 | Confident | 26 Ų | 26 | 82.5 Ų | 82.5 | 10% | 0.098 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -45.8 | 176.2 | 177.7 | -179.4 | 175 | 67 | 14.7 | 111.7 | E78 T128 L479 V480 E481 Q485 K486 K487 | E78-R483 IonicContact OE1-CZ 2.89Å; E78-R483 IonicContact OE1-NH1 3.79Å; E78-R483 IonicContact OE1-NH2 3.99Å; E78-R483 PolarHBondContact OE1-NH2 3.43Å; E78-R483 IonicContact OE2-NH2 3.64Å; T128-R483 WeakPolarHBondContact OG1-CD 3.43Å; T128-R483 PolarHBondContact OG1-NE 2.98Å; L479-R483 WeakPolarHBondContact O-CB 3.39Å; L479-R483 PolarHBondContact O-N 3.47Å; V480-R483 PolarHBondContact O-N 3.44Å; E481-R483 VanDerWaalsContact C-N 3.31Å; E481-R483 PolarHBondContact O-N 2.71Å; R483-Q485 PolarHBondContact O-N 2.88Å; R483-K486 PolarHBondContact O-N 3.36Å; R483-K486 VanDerWaalsContact O-N 3.16Å; R483-K487 PolarHBondContact O-N 3.21Å |
| 484 | K | 90.5 | Very high | 88.9 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.2 | -38.7 | 176.5 | -168.7 | 179.5 | -173.8 | 179 | 0 | 111.3 | V480 E481 R488 | V480-K484 WeakPolarHBondContact O-CB 3.43Å; V480-K484 PolarHBondContact O-N 3.35Å; E481-K484 PolarHBondContact O-N 2.89Å; E481-K484 IonicContact OE1-NZ 2.67Å; K484-R488 VanDerWaalsContact O-CG 3.29Å; K484-R488 WeakPolarHBondContact O-CG 3.08Å; K484-R488 PolarHBondContact O-N 2.88Å |
| 485 | Q | 91.5 | Very high | 89.3 | Confident | 88 Ų | 88 | 87 Ų | 87 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.8 | -50.5 | 173.2 | -176.2 | 57.2 | 31.3 | 0 | 0 | 111.9 | E481 K482 R483 K487 R488 D489 | E481-Q485 WeakPolarHBondContact O-CB 3.45Å; E481-Q485 PolarHBondContact O-N 3.48Å; K482-Q485 WeakPolarHBondContact O-CB 3.48Å; K482-Q485 PolarHBondContact O-N 3.15Å; R483-Q485 PolarHBondContact O-N 2.88Å; Q485-K487 VanDerWaalsContact C-N 3.29Å; Q485-K487 PolarHBondContact O-N 2.88Å; Q485-R488 PolarHBondContact O-N 3.07Å; Q485-D489 PolarHBondContact NE2-OD1 3.08Å; Q485-D489 PolarHBondContact NE2-OD2 3.33Å; Q485-D489 VanDerWaalsContact O-CG 3.27Å; Q485-D489 PolarHBondContact O-N 3.29Å |
| 486 | K | 91.8 | Very high | 89.5 | Confident | 67 Ų | 67 | 87 Ų | 87 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.4 | -42.9 | 175.7 | -73.2 | 175.7 | 176.1 | 173.6 | 0 | 112.4 | Y74 E124 K482 R483 D489 A490 | Y74-K486 HydrophobicContact CE2-CB 4.16Å; Y74-K486 HydrophobicContact CE2-CD 4.43Å; Y74-K486 WeakPolarHBondContact OH-CB 3.36Å; E124-K486 VanDerWaalsContact CD-NZ 3.29Å; E124-K486 IonicContact OE1-NZ 3.03Å; E124-K486 PolarHBondContact OE1-NZ 3.45Å; E124-K486 IonicContact OE2-NZ 3.45Å; E124-K486 PolarHBondContact OE2-NZ 3.15Å; K482-K486 WeakPolarHBondContact O-CG 3.25Å; K482-K486 PolarHBondContact O-N 3.49Å; R483-K486 PolarHBondContact O-N 3.36Å; R483-K486 VanDerWaalsContact O-N 3.16Å; K486-D489 PolarHBondContact O-N 2.92Å; K486-A490 WeakPolarHBondContact O-CB 3.45Å; K486-A490 PolarHBondContact O-N 3.17Å |
| 487 | K | 90.9 | Very high | 89.4 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 177.2 | -175.1 | 167.6 | -176.2 | 141.5 | 0 | 111.8 | E78 R483 Q485 D489 A490 E491 | E78-K487 WeakPolarHBondContact OE2-CD 3.41Å; E78-K487 WeakPolarHBondContact OE2-CE 3.49Å; E78-K487 IonicContact OE2-NZ 3.8Å; E78-K487 PolarHBondContact OE2-NZ 2.84Å; R483-K487 PolarHBondContact O-N 3.21Å; Q485-K487 VanDerWaalsContact C-N 3.29Å; Q485-K487 PolarHBondContact O-N 2.88Å; K487-D489 VanDerWaalsContact C-N 3.33Å; K487-D489 PolarHBondContact O-N 3.41Å; K487-A490 PolarHBondContact O-N 3.05Å; K487-E491 WeakPolarHBondContact O-CG 3.25Å; K487-E491 PolarHBondContact O-N 2.82Å |
| 488 | R | 92.9 | Very high | 89.3 | Confident | 126 Ų | 126 | 84 Ų | 84 | 48% | 0.475 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.1 | -74 | 170.4 | 175.1 | 176.6 | -4.4 | 112.4 | K484 Q485 E491 R492 | K484-R488 VanDerWaalsContact O-CG 3.29Å; K484-R488 WeakPolarHBondContact O-CG 3.08Å; K484-R488 PolarHBondContact O-N 2.88Å; Q485-R488 PolarHBondContact O-N 3.07Å; R488-E491 PolarHBondContact O-N 3.03Å; R488-R492 WeakPolarHBondContact O-CB 2.86Å; R488-R492 PolarHBondContact O-N 3.35Å |
| 489 | D | 92.4 | Very high | 89.1 | Confident | 39 Ų | 39 | 84.8 Ų | 84.8 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68 | -40.3 | 178.3 | -68.1 | -27.3 | 0 | 0 | 0 | 111.3 | Q485 K486 K487 R492 R493 | Q485-D489 PolarHBondContact NE2-OD1 3.08Å; Q485-D489 PolarHBondContact NE2-OD2 3.33Å; Q485-D489 VanDerWaalsContact O-CG 3.27Å; Q485-D489 PolarHBondContact O-N 3.29Å; K486-D489 PolarHBondContact O-N 2.92Å; K487-D489 VanDerWaalsContact C-N 3.33Å; K487-D489 PolarHBondContact O-N 3.41Å; D489-R492 WeakPolarHBondContact O-CB 3.17Å; D489-R492 PolarHBondContact O-N 2.94Å; D489-R493 VanDerWaalsContact O-CG 3.31Å; D489-R493 WeakPolarHBondContact O-CG 3.12Å; D489-R493 PolarHBondContact O-N 3.36Å |
| 490 | A | 89.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 87 Ų | 87 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y74 K486 K487 R493 R494 | Y74-A490 HydrophobicContact CD1-CB 3.32Å; Y74-A490 HydrophobicContact CE1-CB 3.7Å; Y74-A490 HydrophobicContact CG-CB 4.12Å; K486-A490 WeakPolarHBondContact O-CB 3.45Å; K486-A490 PolarHBondContact O-N 3.17Å; K487-A490 PolarHBondContact O-N 3.05Å; A490-R493 PolarHBondContact O-N 2.93Å; A490-R494 WeakPolarHBondContact O-CB 3.08Å; A490-R494 PolarHBondContact O-N 3.03Å |
| 491 | E | 90.7 | Very high | 88.5 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.7 | -75.1 | 173.7 | -172.5 | 0 | 0 | 112.1 | K487 R488 R494 R495 | K487-E491 WeakPolarHBondContact O-CG 3.25Å; K487-E491 PolarHBondContact O-N 2.82Å; R488-E491 PolarHBondContact O-N 3.03Å; E491-R494 PolarHBondContact O-N 3.39Å; E491-R495 WeakPolarHBondContact O-CB 3.4Å; E491-R495 PolarHBondContact O-N 2.83Å |
| 492 | R | 92 | Very high | 88.1 | Confident | 156 Ų | 156 | 91 Ų | 91 | 59% | 0.589 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.4 | -49.2 | 174.4 | -175.5 | -173.7 | -62.2 | -169.1 | 1 | 111.1 | R488 D489 R494 R495 Q496 | R488-R492 WeakPolarHBondContact O-CB 2.86Å; R488-R492 PolarHBondContact O-N 3.35Å; D489-R492 WeakPolarHBondContact O-CB 3.17Å; D489-R492 PolarHBondContact O-N 2.94Å; R492-R494 PolarHBondContact O-N 2.76Å; R492-R495 WeakPolarHBondContact O-CB 3.5Å; R492-R495 PolarHBondContact O-N 3.42Å; R492-Q496 WeakPolarHBondContact O-CG 3.36Å; R492-Q496 PolarHBondContact O-N 2.92Å |
| 493 | R | 87.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 88 Ų | 88 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 176.5 | -71 | 176.2 | -175.5 | 102.4 | 4.7 | 111.3 | D71 D489 A490 R495 Q496 M497 | D71-R493 WeakPolarHBondContact OD1-CD 3.3Å; D71-R493 IonicContact OD1-NE 3.47Å; D71-R493 PolarHBondContact OD1-NE 3Å; D489-R493 VanDerWaalsContact O-CG 3.31Å; D489-R493 WeakPolarHBondContact O-CG 3.12Å; D489-R493 PolarHBondContact O-N 3.36Å; A490-R493 PolarHBondContact O-N 2.93Å; R493-R495 VanDerWaalsContact C-N 3.25Å; R493-R495 PolarHBondContact O-N 2.82Å; R493-Q496 WeakPolarHBondContact O-CB 3.16Å; R493-Q496 PolarHBondContact O-N 2.96Å; R493-Q496 VanDerWaalsContact O-N 3.12Å; R493-M497 WeakPolarHBondContact O-CG 3.15Å; R493-M497 PolarHBondContact O-N 3.2Å |
| 494 | R | 85.6 | Confident | 87 | Confident | 65 Ų | 65 | 89.6 Ų | 89.6 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 177.5 | -171.5 | 178.9 | -174 | -170.2 | 3.3 | 112.2 | A490 E491 R492 R498 | A490-R494 WeakPolarHBondContact O-CB 3.08Å; A490-R494 PolarHBondContact O-N 3.03Å; E491-R494 PolarHBondContact O-N 3.39Å; R492-R494 PolarHBondContact O-N 2.76Å; R494-R498 VanDerWaalsContact NH2-NH2 3.19Å; R494-R498 WeakPolarHBondContact O-CG 2.73Å; R494-R498 PolarHBondContact O-N 3.13Å |
| 495 | R | 87.8 | Confident | 86.3 | Confident | 168 Ų | 168 | 89.2 Ų | 89.2 | 63% | 0.634 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.9 | -45.6 | 175.4 | -177 | 175.2 | 177.9 | 158.5 | 1.1 | 111.6 | E491 R492 R493 M497 R498 E499 | E491-R495 WeakPolarHBondContact O-CB 3.4Å; E491-R495 PolarHBondContact O-N 2.83Å; R492-R495 WeakPolarHBondContact O-CB 3.5Å; R492-R495 PolarHBondContact O-N 3.42Å; R493-R495 VanDerWaalsContact C-N 3.25Å; R493-R495 PolarHBondContact O-N 2.82Å; R495-M497 PolarHBondContact O-N 2.97Å; R495-R498 PolarHBondContact O-N 3.22Å; R495-E499 HydrophobicContact CG-CG 4.36Å; R495-E499 WeakPolarHBondContact CG-OE1 3.33Å; R495-E499 IonicContact CZ-OE1 3.51Å; R495-E499 IonicContact NE-OE1 3.71Å; R495-E499 PolarHBondContact NE-OE1 3.27Å; R495-E499 IonicContact NH2-OE1 2.73Å; R495-E499 WeakPolarHBondContact O-CB 3.42Å; R495-E499 WeakPolarHBondContact O-CG 3.07Å; R495-E499 PolarHBondContact O-N 3.44Å |
| 496 | Q | 87.3 | Confident | 85.6 | Confident | 107 Ų | 107 | 88.9 Ų | 88.9 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 176.5 | -72.9 | 171.9 | -26.6 | 0 | 0 | 112 | R492 R493 R498 E499 M500 | R492-Q496 WeakPolarHBondContact O-CG 3.36Å; R492-Q496 PolarHBondContact O-N 2.92Å; R493-Q496 WeakPolarHBondContact O-CB 3.16Å; R493-Q496 PolarHBondContact O-N 2.96Å; R493-Q496 VanDerWaalsContact O-N 3.12Å; Q496-R498 VanDerWaalsContact C-N 3.34Å; Q496-R498 PolarHBondContact O-N 2.97Å; Q496-E499 PolarHBondContact O-N 2.78Å; Q496-M500 WeakPolarHBondContact O-CB 3.45Å; Q496-M500 PolarHBondContact O-N 3.23Å |
| 497 | M | 84 | Confident | 84.7 | Confident | 60 Ų | 60 | 91.6 Ų | 91.6 | 30% | 0.296 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.2 | -62.8 | -55.2 | -70.9 | 0 | 0 | 112.1 | D56 A57 R493 R495 M500 E501 | D56-M497 WeakPolarHBondContact O-CE 3.46Å; A57-M497 HydrophobicContact CB-CE 4Å; R493-M497 WeakPolarHBondContact O-CG 3.15Å; R493-M497 PolarHBondContact O-N 3.2Å; R495-M497 PolarHBondContact O-N 2.97Å; M497-M500 PolarHBondContact O-N 2.68Å; M497-E501 WeakPolarHBondContact O-CB 3.39Å; M497-E501 PolarHBondContact O-N 3.34Å |
| 498 | R | 84.4 | Confident | 83.5 | Confident | 125 Ų | 125 | 93.1 Ų | 93.1 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 175.3 | -75.3 | 174.2 | 170 | -177 | -5.2 | 112.8 | R494 R495 Q496 R502 | R494-R498 VanDerWaalsContact NH2-NH2 3.19Å; R494-R498 WeakPolarHBondContact O-CG 2.73Å; R494-R498 PolarHBondContact O-N 3.13Å; R495-R498 PolarHBondContact O-N 3.22Å; Q496-R498 VanDerWaalsContact C-N 3.34Å; Q496-R498 PolarHBondContact O-N 2.97Å; R498-R502 WeakPolarHBondContact O-CB 3.15Å; R498-R502 VanDerWaalsContact O-CG 3.24Å; R498-R502 WeakPolarHBondContact O-CG 3.33Å; R498-R502 PolarHBondContact O-N 3.27Å |
| 499 | E | 85.6 | Confident | 82.3 | Confident | 90 Ų | 90 | 92.7 Ų | 92.7 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 176.4 | -76.2 | 173.4 | -177.7 | 0 | 0 | 110.9 | R495 Q496 R502 S503 | R495-E499 HydrophobicContact CG-CG 4.36Å; R495-E499 WeakPolarHBondContact CG-OE1 3.33Å; R495-E499 IonicContact CZ-OE1 3.51Å; R495-E499 IonicContact NE-OE1 3.71Å; R495-E499 PolarHBondContact NE-OE1 3.27Å; R495-E499 IonicContact NH2-OE1 2.73Å; R495-E499 WeakPolarHBondContact O-CB 3.42Å; R495-E499 WeakPolarHBondContact O-CG 3.07Å; R495-E499 PolarHBondContact O-N 3.44Å; Q496-E499 PolarHBondContact O-N 2.78Å; E499-R502 PolarHBondContact O-N 2.92Å; E499-S503 VanDerWaalsContact O-CB 3.23Å; E499-S503 WeakPolarHBondContact O-CB 3.44Å; E499-S503 PolarHBondContact O-N 3.13Å |
| 500 | M | 81.4 | Confident | 81 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 172.8 | -175.7 | -173.8 | -69.8 | 0 | 0 | 111.2 | S34 C36 Q496 M497 R502 S503 R504 | S34-M500 WeakPolarHBondContact O-CE 3.48Å; C36-M500 VanDerWaalsContact SG-SD 3.65Å; Q496-M500 WeakPolarHBondContact O-CB 3.45Å; Q496-M500 PolarHBondContact O-N 3.23Å; M497-M500 PolarHBondContact O-N 2.68Å; M500-R502 PolarHBondContact O-N 2.78Å; M500-S503 PolarHBondContact O-N 2.93Å; M500-R504 WeakPolarHBondContact O-CB 3.47Å; M500-R504 PolarHBondContact O-N 3.45Å |
| 501 | E | 81.4 | Confident | 79.6 | Confident | 70 Ų | 70 | 100 Ų | 100 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.2 | -172.2 | -175.7 | -170.5 | 0 | 0 | 111.7 | M497 R504 Q505 | M497-E501 WeakPolarHBondContact O-CB 3.39Å; M497-E501 PolarHBondContact O-N 3.34Å; E501-R504 WeakPolarHBondContact O-CB 3.27Å; E501-R504 PolarHBondContact O-N 3.31Å; E501-Q505 WeakPolarHBondContact O-CG 3.34Å; E501-Q505 PolarHBondContact O-N 3.42Å |
| 502 | R | 82.2 | Confident | 78.1 | Confident | 162 Ų | 162 | 100.3 Ų | 100.3 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 176.7 | -76.7 | 176.8 | -177.3 | -169.6 | -0.7 | 112.5 | R498 E499 M500 R504 Q505 L506 | R498-R502 WeakPolarHBondContact O-CB 3.15Å; R498-R502 VanDerWaalsContact O-CG 3.24Å; R498-R502 WeakPolarHBondContact O-CG 3.33Å; R498-R502 PolarHBondContact O-N 3.27Å; E499-R502 PolarHBondContact O-N 2.92Å; M500-R502 PolarHBondContact O-N 2.78Å; R502-R504 PolarHBondContact O-N 3.01Å; R502-Q505 PolarHBondContact O-N 3.46Å; R502-L506 WeakPolarHBondContact O-CB 3.29Å; R502-L506 VanDerWaalsContact O-CD1 3.26Å; R502-L506 WeakPolarHBondContact O-CD1 3.45Å; R502-L506 PolarHBondContact O-N 2.87Å |
| 503 | S | 81.3 | Confident | 76.4 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 42% | 0.42 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 177.2 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | E499 M500 Q507 | E499-S503 VanDerWaalsContact O-CB 3.23Å; E499-S503 WeakPolarHBondContact O-CB 3.44Å; E499-S503 PolarHBondContact O-N 3.13Å; M500-S503 PolarHBondContact O-N 2.93Å; S503-Q507 WeakPolarHBondContact O-CB 3.41Å; S503-Q507 VanDerWaalsContact O-CG 3.25Å; S503-Q507 WeakPolarHBondContact O-CG 3.49Å; S503-Q507 PolarHBondContact O-N 2.64Å |
| 504 | R | 76.7 | Confident | 74.9 | Confident | 61 Ų | 61 | 96.9 Ų | 96.9 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.3 | -47 | 174.2 | -173.4 | 178 | 67.2 | 89.9 | 0.1 | 111.9 | M500 E501 R502 L506 Q507 E508 | M500-R504 WeakPolarHBondContact O-CB 3.47Å; M500-R504 PolarHBondContact O-N 3.45Å; E501-R504 WeakPolarHBondContact O-CB 3.27Å; E501-R504 PolarHBondContact O-N 3.31Å; R502-R504 PolarHBondContact O-N 3.01Å; R504-L506 VanDerWaalsContact C-N 3.29Å; R504-L506 PolarHBondContact O-N 3.39Å; R504-Q507 PolarHBondContact O-N 2.97Å; R504-Q507 VanDerWaalsContact O-N 3.13Å; R504-E508 IonicContact NH1-OE1 3.34Å; R504-E508 PolarHBondContact NH1-OE1 2.9Å; R504-E508 PolarHBondContact O-N 3.41Å |
| 505 | Q | 75.2 | Confident | 73.4 | Confident | 82 Ų | 82 | 96.2 Ų | 96.2 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.3 | -72.9 | 172.4 | 2 | 0 | 0 | 111.2 | E501 R502 E508 E509 | E501-Q505 WeakPolarHBondContact O-CG 3.34Å; E501-Q505 PolarHBondContact O-N 3.42Å; R502-Q505 PolarHBondContact O-N 3.46Å; Q505-E508 WeakPolarHBondContact O-CB 3.12Å; Q505-E508 PolarHBondContact O-N 3.3Å; Q505-E509 WeakPolarHBondContact O-CB 3.19Å; Q505-E509 WeakPolarHBondContact O-CG 3.4Å; Q505-E509 PolarHBondContact O-N 3.06Å |
| 506 | L | 77.1 | Confident | 71.9 | Confident | 81 Ų | 81 | 96 Ų | 96 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 173.9 | -97.5 | 96.5 | 0 | 0 | 0 | 112.4 | R502 R504 E508 E509 Q510 | R502-L506 WeakPolarHBondContact O-CB 3.29Å; R502-L506 VanDerWaalsContact O-CD1 3.26Å; R502-L506 WeakPolarHBondContact O-CD1 3.45Å; R502-L506 PolarHBondContact O-N 2.87Å; R504-L506 VanDerWaalsContact C-N 3.29Å; R504-L506 PolarHBondContact O-N 3.39Å; L506-E508 VanDerWaalsContact C-N 3.32Å; L506-E509 PolarHBondContact O-N 2.94Å; L506-Q510 WeakPolarHBondContact O-CA 3.45Å; L506-Q510 WeakPolarHBondContact O-CB 3.45Å; L506-Q510 WeakPolarHBondContact O-CG 3.45Å; L506-Q510 PolarHBondContact O-N 3.03Å |
| 507 | Q | 71.3 | Confident | 70.6 | Confident | 124 Ų | 124 | 96.8 Ų | 96.8 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 173.5 | -79.1 | 171 | 5.2 | 0 | 0 | 110.8 | S503 R504 M511 | S503-Q507 WeakPolarHBondContact O-CB 3.41Å; S503-Q507 VanDerWaalsContact O-CG 3.25Å; S503-Q507 WeakPolarHBondContact O-CG 3.49Å; S503-Q507 PolarHBondContact O-N 2.64Å; R504-Q507 PolarHBondContact O-N 2.97Å; R504-Q507 VanDerWaalsContact O-N 3.13Å; Q507-M511 WeakPolarHBondContact O-CB 3.45Å; Q507-M511 PolarHBondContact O-N 3.24Å |
| 508 | E | 67.6 | Low | 69.3 | Low | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 172.7 | -71.2 | 174.1 | -161.9 | 0 | 0 | 111.5 | R504 Q505 L506 M512 | R504-E508 IonicContact NH1-OE1 3.34Å; R504-E508 PolarHBondContact NH1-OE1 2.9Å; R504-E508 PolarHBondContact O-N 3.41Å; Q505-E508 WeakPolarHBondContact O-CB 3.12Å; Q505-E508 PolarHBondContact O-N 3.3Å; L506-E508 VanDerWaalsContact C-N 3.32Å; E508-M512 VanDerWaalsContact O-CG 3.25Å; E508-M512 WeakPolarHBondContact O-CG 3.45Å; E508-M512 PolarHBondContact O-N 2.7Å |
| 509 | E | 67.6 | Low | 67.8 | Low | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.4 | -39.5 | 178.4 | -74.4 | 178.6 | 176.1 | 0 | 0 | 114.1 | Q505 L506 M512 D513 | Q505-E509 WeakPolarHBondContact O-CB 3.19Å; Q505-E509 WeakPolarHBondContact O-CG 3.4Å; Q505-E509 PolarHBondContact O-N 3.06Å; L506-E509 PolarHBondContact O-N 2.94Å; E509-M512 CarbonylContact O-C 3.4Å; E509-M512 VanDerWaalsContact O-C 3.3Å; E509-M512 WeakPolarHBondContact O-CA 3.28Å; E509-M512 WeakPolarHBondContact O-CB 3.45Å; E509-M512 PolarHBondContact O-N 2.99Å; E509-D513 PolarHBondContact O-N 3.48Å |
| 510 | Q | 64.8 | Low | 66.4 | Low | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -36.2 | 177.4 | -76.3 | 178.5 | 1.2 | 0 | 0 | 111 | L506 M512 D513 A514 | L506-Q510 WeakPolarHBondContact O-CA 3.45Å; L506-Q510 WeakPolarHBondContact O-CB 3.45Å; L506-Q510 WeakPolarHBondContact O-CG 3.45Å; L506-Q510 PolarHBondContact O-N 3.03Å; Q510-M512 PolarHBondContact O-N 3.49Å; Q510-D513 PolarHBondContact O-N 3.43Å; Q510-A514 WeakPolarHBondContact O-CB 3.41Å; Q510-A514 PolarHBondContact O-N 3.16Å |
| 511 | M | 60.4 | Low | 65.6 | Low | 85 Ų | 85 | 100 Ų | 100 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -52.3 | -48.6 | 163.3 | -177.2 | 169.3 | 70.9 | 0 | 0 | 108.1 | Q507 D513 Y515 M531 | Q507-M511 WeakPolarHBondContact O-CB 3.45Å; Q507-M511 PolarHBondContact O-N 3.24Å; M511-D513 PolarHBondContact O-N 3.35Å; M511-Y515 HydrophobicContact CG-CE2 4.08Å; M511-Y515 WeakPolarHBondContact CG-OH 3.18Å; M511-Y515 WeakPolarHBondContact O-CD1 3.15Å; M511-Y515 WeakPolarHBondContact O-CD2 3.46Å; M511-Y515 WeakPolarHBondContact O-CE1 3.31Å; M511-Y515 WeakPolarHBondContact O-CE2 3.35Å; M511-Y515 VanDerWaalsContact O-CG 3.22Å; M511-M531 HydrophobicContact CE-SD 4.12Å; M511-M531 HydrophobicContact SD-CE 3.9Å; M511-M531 HydrophobicContact SD-SD 4.03Å |
| 512 | M | 59.3 | Low | 64.8 | Low | 120 Ų | 120 | 102.8 Ų | 102.8 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -32.4 | 176 | -67.6 | -73.3 | -102.4 | 0 | 0 | 116.3 | E508 E509 Q510 Y515 | E508-M512 VanDerWaalsContact O-CG 3.25Å; E508-M512 WeakPolarHBondContact O-CG 3.45Å; E508-M512 PolarHBondContact O-N 2.7Å; E509-M512 CarbonylContact O-C 3.4Å; E509-M512 VanDerWaalsContact O-C 3.3Å; E509-M512 WeakPolarHBondContact O-CA 3.28Å; E509-M512 WeakPolarHBondContact O-CB 3.45Å; E509-M512 PolarHBondContact O-N 2.99Å; Q510-M512 PolarHBondContact O-N 3.49Å; M512-Y515 VanDerWaalsContact CA-CE2 3.43Å; M512-Y515 HydrophobicContact CB-CD2 4.39Å; M512-Y515 HydrophobicContact CG-CE2 4.47Å; M512-Y515 WeakPolarHBondContact O-CB 3.47Å; M512-Y515 WeakPolarHBondContact O-CD2 3.47Å; M512-Y515 HydrophobicContact SD-CD2 4.26Å; M512-Y515 HydrophobicContact SD-CE2 3.97Å |
| 513 | D | 55.4 | Low | 64.1 | Low | 93 Ų | 93 | 102.3 Ų | 102.3 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -95.2 | -28 | -174.3 | -90.4 | -32.4 | 0 | 0 | 0 | 114.8 | E509 Q510 M511 Y515 K516 | E509-D513 PolarHBondContact O-N 3.48Å; Q510-D513 PolarHBondContact O-N 3.43Å; M511-D513 PolarHBondContact O-N 3.35Å; D513-Y515 PolarHBondContact O-N 3.35Å; D513-K516 PolarHBondContact O-N 2.92Å; D513-K516 IonicContact OD1-NZ 3.79Å; D513-K516 PolarHBondContact OD1-NZ 3.08Å |
| 514 | A | 56.4 | Low | 63.4 | Low | 72 Ų | 72 | 101.1 Ų | 101.1 | 60% | 0.595 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -2.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q510 | Q510-A514 WeakPolarHBondContact O-CB 3.41Å; Q510-A514 PolarHBondContact O-N 3.16Å |
| 515 | Y | 53.7 | Low | 63.3 | Low | 52 Ų | 52 | 102.1 Ų | 102.1 | 20% | 0.204 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 7.6 | -177.4 | -62.4 | -43 | 0 | 0 | 0 | 116.6 | M511 M512 D513 K528 | M511-Y515 HydrophobicContact CG-CE2 4.08Å; M511-Y515 WeakPolarHBondContact CG-OH 3.18Å; M511-Y515 WeakPolarHBondContact O-CD1 3.15Å; M511-Y515 WeakPolarHBondContact O-CD2 3.46Å; M511-Y515 WeakPolarHBondContact O-CE1 3.31Å; M511-Y515 WeakPolarHBondContact O-CE2 3.35Å; M511-Y515 VanDerWaalsContact O-CG 3.22Å; M512-Y515 VanDerWaalsContact CA-CE2 3.43Å; M512-Y515 HydrophobicContact CB-CD2 4.39Å; M512-Y515 HydrophobicContact CG-CE2 4.47Å; M512-Y515 WeakPolarHBondContact O-CB 3.47Å; M512-Y515 WeakPolarHBondContact O-CD2 3.47Å; M512-Y515 HydrophobicContact SD-CD2 4.26Å; M512-Y515 HydrophobicContact SD-CE2 3.97Å; D513-Y515 PolarHBondContact O-N 3.35Å; Y515-K528 VanDerWaalsContact CB-CE 3.48Å; Y515-K528 HydrophobicContact CD1-CD 4.35Å; Y515-K528 HydrophobicContact CD1-CG 4.42Å; Y515-K528 HydrophobicContact CD2-CD 4.43Å; Y515-K528 HydrophobicContact CE1-CD 4.37Å; Y515-K528 VanDerWaalsContact CE1-CE 3.41Å; Y515-K528 HydrophobicContact CE1-CG 4.01Å; Y515-K528 HydrophobicContact CE2-CD 4.47Å; Y515-K528 HydrophobicContact CG-CD 4.42Å |
| 516 | K | 56.4 | Low | 63.4 | Low | 163 Ų | 163 | 104.1 Ų | 104.1 | 71% | 0.709 | 53% | 0.531 | S | S | * | . | trans | -99 | -3.2 | -176.1 | -70.2 | 176.1 | -176.5 | 145.5 | 0 | 116.4 | D513 | D513-K516 PolarHBondContact O-N 2.92Å; D513-K516 IonicContact OD1-NZ 3.79Å; D513-K516 PolarHBondContact OD1-NZ 3.08Å | ||
| 517 | D | 60.7 | Low | 63.4 | Low | 123 Ų | 123 | 102.1 Ų | 102.1 | 66% | 0.658 | 53% | 0.53 | S | S | * | . | trans | -96.9 | 134.6 | -176.2 | -158.8 | 9.7 | 0 | 0 | 0 | 114.5 | T521 | D517-T521 VanDerWaalsContact O-CG2 3.24Å; D517-T521 WeakPolarHBondContact O-CG2 3.27Å | ||
| 518 | V | 55.7 | Low | 63.2 | Low | 98 Ų | 98 | 99.4 Ų | 99.4 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -78.6 | -32.8 | -144.9 | 174.7 | 0 | 0 | 0 | 0 | 116.4 | T521 | V518-T521 WeakPolarHBondContact O-CB 2.87Å; V518-T521 WeakPolarHBondContact O-CG2 3.38Å; V518-T521 PolarHBondContact O-OG1 3.31Å |
| 519 | N | 53.5 | Low | 63.8 | Low | 161 Ų | 161 | 99.1 Ų | 99.1 | 86% | 0.861 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -96.2 | -18.7 | -178 | -91.8 | -3.9 | 0 | 0 | 0 | 114 | T521 | N519-T521 PolarHBondContact O-N 3.27Š|
| 520 | H | 56.7 | Low | 64.6 | Low | 111 Ų | 111 | 97.9 Ų | 97.9 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -73.3 | -12.5 | 167.1 | -164.1 | -150.4 | 0 | 0 | 0 | 110.7 | L522 N524 | H520-L522 PolarHBondContact O-N 2.95Å; H520-N524 PolarHBondContact CD2-OD1 3.36Å; H520-N524 PolarHBondContact CE1-ND2 2.91Å; H520-N524 PolarHBondContact CE1-OD1 2.8Å; H520-N524 PolarHBondContact ND1-ND2 2.76Å; H520-N524 PolarHBondContact NE2-OD1 2.85Å; H520-N524 VanDerWaalsContact NE2-OD1 3.1Å; H520-N524 WeakPolarHBondContact O-CB 3.41Å; H520-N524 PolarHBondContact O-N 2.96Å; H520-N524 PolarHBondContact O-ND2 3.33Å |
| 521 | T | 63.6 | Low | 65.3 | Low | 50 Ų | 50 | 96.1 Ų | 96.1 | 31% | 0.307 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | -173.2 | 59.2 | 0 | 0 | 0 | 0 | 115.3 | D517 V518 N519 N524 V525 | D517-T521 VanDerWaalsContact O-CG2 3.24Å; D517-T521 WeakPolarHBondContact O-CG2 3.27Å; V518-T521 WeakPolarHBondContact O-CB 2.87Å; V518-T521 WeakPolarHBondContact O-CG2 3.38Å; V518-T521 PolarHBondContact O-OG1 3.31Å; N519-T521 PolarHBondContact O-N 3.27Å; T521-N524 PolarHBondContact O-N 3.08Å; T521-V525 WeakPolarHBondContact O-CA 3.02Å; T521-V525 WeakPolarHBondContact O-CB 3.29Å; T521-V525 WeakPolarHBondContact O-CG2 3.32Å; T521-V525 PolarHBondContact O-N 3.28Å |
| 522 | L | 66.4 | Low | 66.4 | Low | 129 Ų | 129 | 96 Ų | 96 | 68% | 0.675 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.1 | -49.3 | -173.8 | -92.5 | 167 | 0 | 0 | 0 | 112.1 | H520 N524 V525 Q526 | H520-L522 PolarHBondContact O-N 2.95Å; L522-N524 VanDerWaalsContact C-N 3.31Å; L522-N524 PolarHBondContact O-N 3.16Å; L522-V525 PolarHBondContact O-N 3Å; L522-Q526 WeakPolarHBondContact O-CB 3.34Å; L522-Q526 VanDerWaalsContact O-CG 3.31Å; L522-Q526 WeakPolarHBondContact O-CG 3.47Å; L522-Q526 PolarHBondContact O-N 3.24Å |
| 523 | Q | 66.1 | Low | 67.6 | Low | 152 Ų | 152 | 95.1 Ų | 95.1 | 71% | 0.71 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -38.1 | 175.4 | -70.2 | -179.7 | -6 | 0 | 0 | 111.1 | Q526 G527 | Q523-Q526 PolarHBondContact O-N 3.21Å; Q523-G527 PolarHBondContact O-N 3.47Å |
| 524 | N | 67 | Low | 68.9 | Low | 34 Ų | 34 | 98.9 Ų | 98.9 | 18% | 0.182 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 176 | -72.9 | -9.9 | 0 | 0 | 0 | 114.1 | H520 T521 L522 Q526 G527 K528 | H520-N524 PolarHBondContact CD2-OD1 3.36Å; H520-N524 PolarHBondContact CE1-ND2 2.91Å; H520-N524 PolarHBondContact CE1-OD1 2.8Å; H520-N524 PolarHBondContact ND1-ND2 2.76Å; H520-N524 PolarHBondContact NE2-OD1 2.85Å; H520-N524 VanDerWaalsContact NE2-OD1 3.1Å; H520-N524 WeakPolarHBondContact O-CB 3.41Å; H520-N524 PolarHBondContact O-N 2.96Å; H520-N524 PolarHBondContact O-ND2 3.33Å; T521-N524 PolarHBondContact O-N 3.08Å; L522-N524 VanDerWaalsContact C-N 3.31Å; L522-N524 PolarHBondContact O-N 3.16Å; N524-Q526 VanDerWaalsContact C-N 3.31Å; N524-G527 CarbonylContact O-C 3.52Å; N524-G527 PolarHBondContact O-N 3.44Å; N524-K528 WeakPolarHBondContact O-CB 3.48Å; N524-K528 WeakPolarHBondContact O-CG 3.28Å; N524-K528 PolarHBondContact O-N 3.48Å |
| 525 | V | 74.3 | Confident | 70.1 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 177.5 | 168.4 | 0 | 0 | 0 | 0 | 108.9 | T521 L522 K528 L529 | T521-V525 WeakPolarHBondContact O-CA 3.02Å; T521-V525 WeakPolarHBondContact O-CB 3.29Å; T521-V525 WeakPolarHBondContact O-CG2 3.32Å; T521-V525 PolarHBondContact O-N 3.28Å; L522-V525 PolarHBondContact O-N 3Å; V525-K528 PolarHBondContact O-N 2.93Å; V525-L529 VanDerWaalsContact O-CB 3.23Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 PolarHBondContact O-N 2.59Å |
| 526 | Q | 76.8 | Confident | 71.7 | Confident | 124 Ų | 124 | 104.2 Ų | 104.2 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -48.6 | 168.1 | -75.8 | 177.1 | -10 | 0 | 0 | 111.1 | L522 Q523 N524 K528 L529 E530 | L522-Q526 WeakPolarHBondContact O-CB 3.34Å; L522-Q526 VanDerWaalsContact O-CG 3.31Å; L522-Q526 WeakPolarHBondContact O-CG 3.47Å; L522-Q526 PolarHBondContact O-N 3.24Å; Q523-Q526 PolarHBondContact O-N 3.21Å; N524-Q526 VanDerWaalsContact C-N 3.31Å; Q526-K528 VanDerWaalsContact C-N 3.33Å; Q526-K528 PolarHBondContact O-N 3.03Å; Q526-L529 PolarHBondContact O-N 3.32Å; Q526-E530 WeakPolarHBondContact O-CG 3.35Å; Q526-E530 PolarHBondContact O-N 2.86Å |
| 527 | G | 76.9 | Confident | 73.1 | Confident | 39 Ų | 39 | 103.3 Ų | 103.3 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q523 N524 E530 M531 | Q523-G527 PolarHBondContact O-N 3.47Å; N524-G527 CarbonylContact O-C 3.52Å; N524-G527 PolarHBondContact O-N 3.44Å; G527-E530 PolarHBondContact O-N 3.01Å; G527-M531 WeakPolarHBondContact O-CB 3.47Å; G527-M531 PolarHBondContact O-N 3.37Å |
| 528 | K | 67.7 | Low | 74.1 | Confident | 67 Ų | 67 | 99.4 Ų | 99.4 | 29% | 0.291 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 172.6 | -78.7 | -172 | -179.4 | -159.6 | 0 | 112.1 | Y515 N524 V525 Q526 E530 M531 E532 | Y515-K528 VanDerWaalsContact CB-CE 3.48Å; Y515-K528 HydrophobicContact CD1-CD 4.35Å; Y515-K528 HydrophobicContact CD1-CG 4.42Å; Y515-K528 HydrophobicContact CD2-CD 4.43Å; Y515-K528 HydrophobicContact CE1-CD 4.37Å; Y515-K528 VanDerWaalsContact CE1-CE 3.41Å; Y515-K528 HydrophobicContact CE1-CG 4.01Å; Y515-K528 HydrophobicContact CE2-CD 4.47Å; Y515-K528 HydrophobicContact CG-CD 4.42Å; N524-K528 WeakPolarHBondContact O-CB 3.48Å; N524-K528 WeakPolarHBondContact O-CG 3.28Å; N524-K528 PolarHBondContact O-N 3.48Å; V525-K528 PolarHBondContact O-N 2.93Å; Q526-K528 VanDerWaalsContact C-N 3.33Å; Q526-K528 PolarHBondContact O-N 3.03Å; K528-E530 PolarHBondContact O-N 3.46Å; K528-M531 PolarHBondContact O-N 2.96Å; K528-E532 VanDerWaalsContact O-CB 3.25Å; K528-E532 WeakPolarHBondContact O-CB 3.46Å; K528-E532 WeakPolarHBondContact O-CG 3.41Å; K528-E532 PolarHBondContact O-N 2.99Å |
| 529 | L | 80.6 | Confident | 75.6 | Confident | 93 Ų | 93 | 98.7 Ų | 98.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 178.2 | 178.9 | 63.8 | 0 | 0 | 0 | 109.2 | V525 Q526 K533 | V525-L529 VanDerWaalsContact O-CB 3.23Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 PolarHBondContact O-N 2.59Å; Q526-L529 PolarHBondContact O-N 3.32Å; L529-K533 HydrophobicContact CD1-CG 4.41Å; L529-K533 HydrophobicContact CG-CD 4.17Å; L529-K533 WeakPolarHBondContact O-CB 3.47Å; L529-K533 WeakPolarHBondContact O-CD 3.27Å; L529-K533 WeakPolarHBondContact O-CG 3.3Å; L529-K533 PolarHBondContact O-N 2.96Å |
| 530 | E | 83.6 | Confident | 77.1 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 174 | -67.9 | -53.8 | 127.3 | 0 | 0 | 112.6 | Q526 G527 K528 K533 R534 | Q526-E530 WeakPolarHBondContact O-CG 3.35Å; Q526-E530 PolarHBondContact O-N 2.86Å; G527-E530 PolarHBondContact O-N 3.01Å; K528-E530 PolarHBondContact O-N 3.46Å; E530-K533 PolarHBondContact O-N 3.3Å; E530-K533 WeakPolarHBondContact OE1-CD 3.46Å; E530-K533 IonicContact OE1-NZ 3.61Å; E530-K533 PolarHBondContact OE1-NZ 3.27Å; E530-R534 WeakPolarHBondContact O-CB 3.37Å; E530-R534 VanDerWaalsContact O-CG 3.25Å; E530-R534 WeakPolarHBondContact O-CG 3.49Å; E530-R534 PolarHBondContact O-N 2.58Å |
| 531 | M | 80.8 | Confident | 78.4 | Confident | 81 Ų | 81 | 94.7 Ų | 94.7 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66 | -46.2 | 176.2 | -172.6 | -173.5 | -61.9 | 0 | 0 | 112.2 | M511 G527 K528 R534 R535 | M511-M531 HydrophobicContact CE-SD 4.12Å; M511-M531 HydrophobicContact SD-CE 3.9Å; M511-M531 HydrophobicContact SD-SD 4.03Å; G527-M531 WeakPolarHBondContact O-CB 3.47Å; G527-M531 PolarHBondContact O-N 3.37Å; K528-M531 PolarHBondContact O-N 2.96Å; M531-R534 WeakPolarHBondContact O-CB 3.33Å; M531-R534 PolarHBondContact O-N 3.07Å; M531-R535 WeakPolarHBondContact O-CB 3.13Å; M531-R535 PolarHBondContact O-N 2.79Å |
| 532 | E | 82.9 | Confident | 79.3 | Confident | 83 Ų | 83 | 94.9 Ų | 94.9 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 174.7 | -76.2 | -60 | 149.7 | 0 | 0 | 111.2 | K528 R535 N536 | K528-E532 VanDerWaalsContact O-CB 3.25Å; K528-E532 WeakPolarHBondContact O-CB 3.46Å; K528-E532 WeakPolarHBondContact O-CG 3.41Å; K528-E532 PolarHBondContact O-N 2.99Å; E532-R535 PolarHBondContact O-N 2.75Å; E532-N536 VanDerWaalsContact O-CB 3.27Å; E532-N536 WeakPolarHBondContact O-CB 3.28Å; E532-N536 PolarHBondContact O-N 3.49Å; E532-N536 PolarHBondContact O-ND2 2.86Å |
| 533 | K | 85.5 | Confident | 80.3 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 170 | -81.6 | 169.4 | -179.3 | 174 | 0 | 111.2 | L529 E530 N536 K537 | L529-K533 HydrophobicContact CD1-CG 4.41Å; L529-K533 HydrophobicContact CG-CD 4.17Å; L529-K533 WeakPolarHBondContact O-CB 3.47Å; L529-K533 WeakPolarHBondContact O-CD 3.27Å; L529-K533 WeakPolarHBondContact O-CG 3.3Å; L529-K533 PolarHBondContact O-N 2.96Å; E530-K533 PolarHBondContact O-N 3.3Å; E530-K533 WeakPolarHBondContact OE1-CD 3.46Å; E530-K533 IonicContact OE1-NZ 3.61Å; E530-K533 PolarHBondContact OE1-NZ 3.27Å; K533-N536 PolarHBondContact O-N 2.77Å; K533-K537 VanDerWaalsContact O-CB 3.25Å; K533-K537 WeakPolarHBondContact O-CB 3.29Å; K533-K537 PolarHBondContact O-N 3.44Å |
| 534 | R | 82.3 | Confident | 81.3 | Confident | 173 Ų | 173 | 90.7 Ų | 90.7 | 65% | 0.653 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 175 | -73.9 | 173.5 | -172.5 | -169.9 | 1.6 | 111.2 | E530 M531 K537 A538 | E530-R534 WeakPolarHBondContact O-CB 3.37Å; E530-R534 VanDerWaalsContact O-CG 3.25Å; E530-R534 WeakPolarHBondContact O-CG 3.49Å; E530-R534 PolarHBondContact O-N 2.58Å; M531-R534 WeakPolarHBondContact O-CB 3.33Å; M531-R534 PolarHBondContact O-N 3.07Å; R534-K537 PolarHBondContact O-N 3.4Å; R534-A538 WeakPolarHBondContact O-CB 3.19Å; R534-A538 PolarHBondContact O-N 3.17Å |
| 535 | R | 81.7 | Confident | 82 | Confident | 155 Ų | 155 | 90.9 Ų | 90.9 | 59% | 0.585 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 175.2 | -174.3 | -177.5 | -179.6 | 129.1 | 4 | 111.6 | M531 E532 A538 L539 | M531-R535 WeakPolarHBondContact O-CB 3.13Å; M531-R535 PolarHBondContact O-N 2.79Å; E532-R535 PolarHBondContact O-N 2.75Å; R535-A538 PolarHBondContact O-N 3.25Å; R535-L539 HydrophobicContact CG-CD1 4.16Å; R535-L539 WeakPolarHBondContact O-CB 3.38Å; R535-L539 VanDerWaalsContact O-CG 3.29Å; R535-L539 WeakPolarHBondContact O-CG 3.25Å; R535-L539 PolarHBondContact O-N 2.61Å |
| 536 | N | 86.4 | Confident | 82.5 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 43% | 0.428 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 177.1 | -79.2 | -58.3 | 0 | 0 | 0 | 111.1 | E532 K533 A538 L539 E540 | E532-N536 VanDerWaalsContact O-CB 3.27Å; E532-N536 WeakPolarHBondContact O-CB 3.28Å; E532-N536 PolarHBondContact O-N 3.49Å; E532-N536 PolarHBondContact O-ND2 2.86Å; K533-N536 PolarHBondContact O-N 2.77Å; N536-A538 VanDerWaalsContact C-N 3.33Å; N536-A538 PolarHBondContact O-N 3.17Å; N536-L539 PolarHBondContact O-N 3.45Å; N536-E540 WeakPolarHBondContact O-CB 3.49Å; N536-E540 VanDerWaalsContact O-CG 3.29Å; N536-E540 WeakPolarHBondContact O-CG 3.41Å; N536-E540 PolarHBondContact O-N 2.74Å |
| 537 | K | 85.6 | Confident | 82.9 | Confident | 144 Ų | 144 | 89 Ų | 89 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.4 | -40.4 | 174.8 | -171.8 | -178.3 | -179.9 | -172.2 | 0 | 112.1 | K533 R534 K541 | K533-K537 VanDerWaalsContact O-CB 3.25Å; K533-K537 WeakPolarHBondContact O-CB 3.29Å; K533-K537 PolarHBondContact O-N 3.44Å; R534-K537 PolarHBondContact O-N 3.4Å; K537-K541 WeakPolarHBondContact O-CB 3.47Å; K537-K541 PolarHBondContact O-N 3.22Å |
| 538 | A | 82.5 | Confident | 83.3 | Confident | 42 Ų | 42 | 87.9 Ų | 87.9 | 35% | 0.347 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R534 R535 N536 K541 D542 | R534-A538 WeakPolarHBondContact O-CB 3.19Å; R534-A538 PolarHBondContact O-N 3.17Å; R535-A538 PolarHBondContact O-N 3.25Å; N536-A538 VanDerWaalsContact C-N 3.33Å; N536-A538 PolarHBondContact O-N 3.17Å; A538-K541 PolarHBondContact O-N 3.02Å; A538-D542 WeakPolarHBondContact O-CB 3.45Å; A538-D542 PolarHBondContact O-N 3.06Å |
| 539 | L | 86 | Confident | 83.9 | Confident | 83 Ų | 83 | 85.5 Ų | 85.5 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 176 | -72.3 | 171.5 | 0 | 0 | 0 | 112.6 | R535 N536 K541 D542 V543 | R535-L539 HydrophobicContact CG-CD1 4.16Å; R535-L539 WeakPolarHBondContact O-CB 3.38Å; R535-L539 VanDerWaalsContact O-CG 3.29Å; R535-L539 WeakPolarHBondContact O-CG 3.25Å; R535-L539 PolarHBondContact O-N 2.61Å; N536-L539 PolarHBondContact O-N 3.45Å; L539-K541 VanDerWaalsContact C-N 3.33Å; L539-D542 PolarHBondContact O-N 2.72Å; L539-V543 WeakPolarHBondContact O-CB 3.25Å; L539-V543 VanDerWaalsContact O-CG2 3.27Å; L539-V543 WeakPolarHBondContact O-CG2 3.45Å; L539-V543 PolarHBondContact O-N 2.92Å |
| 540 | E | 86 | Confident | 84.1 | Confident | 133 Ų | 133 | 83.9 Ų | 83.9 | 62% | 0.621 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 175 | -78 | 173.7 | 177.3 | 0 | 0 | 111.1 | N536 V543 Q544 | N536-E540 WeakPolarHBondContact O-CB 3.49Å; N536-E540 VanDerWaalsContact O-CG 3.29Å; N536-E540 WeakPolarHBondContact O-CG 3.41Å; N536-E540 PolarHBondContact O-N 2.74Å; E540-V543 PolarHBondContact O-N 3.19Å; E540-Q544 PolarHBondContact O-N 2.9Å |
| 541 | K | 82.8 | Confident | 84.2 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 24% | 0.235 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.2 | -175.4 | -176.4 | 173.1 | -166.6 | 0 | 111.6 | E49 K537 A538 L539 V543 Q544 D545 | E49-K541 PolarHBondContact O-NZ 3.42Å; K537-K541 WeakPolarHBondContact O-CB 3.47Å; K537-K541 PolarHBondContact O-N 3.22Å; A538-K541 PolarHBondContact O-N 3.02Å; L539-K541 VanDerWaalsContact C-N 3.33Å; K541-V543 VanDerWaalsContact C-N 3.3Å; K541-V543 PolarHBondContact O-N 3.43Å; K541-Q544 WeakPolarHBondContact O-CB 3.34Å; K541-Q544 PolarHBondContact O-N 3.11Å; K541-D545 WeakPolarHBondContact O-CB 3.12Å; K541-D545 VanDerWaalsContact O-CG 3.3Å; K541-D545 PolarHBondContact O-N 2.87Å |
| 542 | D | 83.4 | Confident | 84.2 | Confident | 54 Ų | 54 | 85.3 Ų | 85.3 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.6 | -92.3 | -28.4 | 0 | 0 | 0 | 112.2 | K51 R327 A538 L539 D545 L546 | K51-D542 WeakPolarHBondContact CE-OD1 3.21Å; K51-D542 IonicContact NZ-OD1 3.83Å; R327-D542 PolarHBondContact NH2-O 3.41Å; R327-D542 IonicContact NH2-OD1 2.81Å; R327-D542 PolarHBondContact NH2-OD1 2.98Å; A538-D542 WeakPolarHBondContact O-CB 3.45Å; A538-D542 PolarHBondContact O-N 3.06Å; L539-D542 PolarHBondContact O-N 2.72Å; D542-D545 PolarHBondContact O-N 3.14Å; D542-L546 WeakPolarHBondContact O-CB 3.49Å; D542-L546 VanDerWaalsContact O-CG 3.25Å; D542-L546 WeakPolarHBondContact O-CG 3.46Å; D542-L546 PolarHBondContact O-N 2.65Å |
| 543 | V | 87.1 | Confident | 84.1 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 173.8 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | L539 E540 K541 D545 L546 Y547 | L539-V543 WeakPolarHBondContact O-CB 3.25Å; L539-V543 VanDerWaalsContact O-CG2 3.27Å; L539-V543 WeakPolarHBondContact O-CG2 3.45Å; L539-V543 PolarHBondContact O-N 2.92Å; E540-V543 PolarHBondContact O-N 3.19Å; K541-V543 VanDerWaalsContact C-N 3.3Å; K541-V543 PolarHBondContact O-N 3.43Å; V543-D545 VanDerWaalsContact C-N 3.29Å; V543-D545 PolarHBondContact O-N 2.92Å; V543-L546 WeakPolarHBondContact O-CB 3.27Å; V543-L546 PolarHBondContact O-N 2.93Å; V543-Y547 HydrophobicContact CG1-CD2 3.64Å; V543-Y547 HydrophobicContact CG1-CE2 3.39Å; V543-Y547 WeakPolarHBondContact O-CD2 3.5Å; V543-Y547 PolarHBondContact O-N 3.04Å |
| 544 | Q | 86.6 | Confident | 84 | Confident | 140 Ų | 140 | 84.3 Ų | 84.3 | 65% | 0.654 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.2 | -42.5 | 175.8 | -176.4 | 178 | -0.1 | 0 | 0 | 111.8 | E540 K541 Y547 G548 | E540-Q544 PolarHBondContact O-N 2.9Å; K541-Q544 WeakPolarHBondContact O-CB 3.34Å; K541-Q544 PolarHBondContact O-N 3.11Å; Q544-Y547 WeakPolarHBondContact O-CB 3.45Å; Q544-Y547 PolarHBondContact O-N 3.02Å; Q544-G548 PolarHBondContact O-N 3.23Å |
| 545 | D | 82.9 | Confident | 84 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 20% | 0.198 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | 177.9 | -72 | -27.6 | 0 | 0 | 0 | 112.2 | K51 R327 K541 D542 V543 Y547 G548 E549 | K51-D545 WeakPolarHBondContact CE-OD2 3.24Å; K51-D545 IonicContact NZ-OD2 3.06Å; K51-D545 PolarHBondContact NZ-OD2 2.92Å; R327-D545 VanDerWaalsContact NH2-CB 3.29Å; K541-D545 WeakPolarHBondContact O-CB 3.12Å; K541-D545 VanDerWaalsContact O-CG 3.3Å; K541-D545 PolarHBondContact O-N 2.87Å; D542-D545 PolarHBondContact O-N 3.14Å; V543-D545 VanDerWaalsContact C-N 3.29Å; V543-D545 PolarHBondContact O-N 2.92Å; D545-Y547 VanDerWaalsContact C-N 3.33Å; D545-G548 PolarHBondContact O-N 2.68Å; D545-E549 WeakPolarHBondContact O-CB 3.42Å; D545-E549 WeakPolarHBondContact O-CG 3Å; D545-E549 PolarHBondContact O-N 3.49Å |
| 546 | L | 84.7 | Confident | 83.9 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 47% | 0.466 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 172.7 | -75.4 | 168.7 | 0 | 0 | 0 | 111.2 | D542 V543 E549 F550 | D542-L546 WeakPolarHBondContact O-CB 3.49Å; D542-L546 VanDerWaalsContact O-CG 3.25Å; D542-L546 WeakPolarHBondContact O-CG 3.46Å; D542-L546 PolarHBondContact O-N 2.65Å; V543-L546 WeakPolarHBondContact O-CB 3.27Å; V543-L546 PolarHBondContact O-N 2.93Å; L546-E549 PolarHBondContact O-N 2.86Å; L546-F550 VanDerWaalsContact O-CB 3.25Å; L546-F550 WeakPolarHBondContact O-CB 3.45Å; L546-F550 PolarHBondContact O-N 2.82Å |
| 547 | Y | 86 | Confident | 83.6 | Confident | 77 Ų | 77 | 73.7 Ų | 73.7 | 30% | 0.302 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 171.9 | -82.7 | -68.6 | 0 | 0 | 0 | 111.3 | V543 Q544 D545 E549 F550 E551 P711 | V543-Y547 HydrophobicContact CG1-CD2 3.64Å; V543-Y547 HydrophobicContact CG1-CE2 3.39Å; V543-Y547 WeakPolarHBondContact O-CD2 3.5Å; V543-Y547 PolarHBondContact O-N 3.04Å; Q544-Y547 WeakPolarHBondContact O-CB 3.45Å; Q544-Y547 PolarHBondContact O-N 3.02Å; D545-Y547 VanDerWaalsContact C-N 3.33Å; Y547-E549 PolarHBondContact O-N 3.23Å; Y547-F550 PolarHBondContact O-N 3.47Å; Y547-E551 WeakPolarHBondContact O-CB 3.25Å; Y547-E551 WeakPolarHBondContact O-CG 3.29Å; Y547-E551 PolarHBondContact O-N 2.86Å; Y547-P711 HydrophobicContact CE1-CB 3.83Å; Y547-P711 HydrophobicContact CE1-CG 4.22Å |
| 548 | G | 83.7 | Confident | 83.6 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q544 D545 E551 R552 | Q544-G548 PolarHBondContact O-N 3.23Å; D545-G548 PolarHBondContact O-N 2.68Å; G548-E551 PolarHBondContact O-N 3.49Å; G548-R552 VanDerWaalsContact C-NH1 3.28Å; G548-R552 WeakPolarHBondContact O-CG 3.44Å; G548-R552 PolarHBondContact O-N 2.85Å; G548-R552 PolarHBondContact O-NH1 3.4Å |
| 549 | E | 81.8 | Confident | 83.6 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -44 | 175.1 | -81.3 | 178.3 | -169.3 | 0 | 0 | 112.1 | R246 L323 R327 D545 L546 Y547 R552 E553 | R246-E549 PolarHBondContact NH1-O 2.94Å; R246-E549 PolarHBondContact NH2-O 3.15Å; L323-E549 WeakPolarHBondContact CD2-OE1 3.27Å; R327-E549 IonicContact CZ-OE1 2.62Å; R327-E549 IonicContact CZ-OE2 3.36Å; R327-E549 IonicContact NE-OE1 3.41Å; R327-E549 IonicContact NH1-OE1 3.87Å; R327-E549 PolarHBondContact NH1-OE1 2.92Å; R327-E549 IonicContact NH1-OE2 2.67Å; R327-E549 PolarHBondContact NH1-OE2 2.8Å; D545-E549 WeakPolarHBondContact O-CB 3.42Å; D545-E549 WeakPolarHBondContact O-CG 3Å; D545-E549 PolarHBondContact O-N 3.49Å; L546-E549 PolarHBondContact O-N 2.86Å; Y547-E549 PolarHBondContact O-N 3.23Å; E549-R552 VanDerWaalsContact CG-NH2 3.32Å; E549-R552 PolarHBondContact O-N 3.45Å; E549-E553 WeakPolarHBondContact O-CB 3.17Å; E549-E553 PolarHBondContact O-N 3.37Å |
| 550 | F | 84.6 | Confident | 83.3 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 25% | 0.254 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.8 | -179 | -99.1 | 0 | 0 | 0 | 111.8 | L546 Y547 E553 R554 F709 P711 | L546-F550 VanDerWaalsContact O-CB 3.25Å; L546-F550 WeakPolarHBondContact O-CB 3.45Å; L546-F550 PolarHBondContact O-N 2.82Å; Y547-F550 PolarHBondContact O-N 3.47Å; F550-E553 PolarHBondContact O-N 2.96Å; F550-R554 WeakPolarHBondContact O-CB 2.98Å; F550-R554 PolarHBondContact O-N 2.97Å; F550-F709 HydrophobicContact CE2-CD1 4.25Å; F550-F709 HydrophobicContact CZ-CB 3.86Å; F550-F709 HydrophobicContact CZ-CD1 4.2Å; F550-F709 VanDerWaalsContact CZ-O 3.32Å; F550-F709 WeakPolarHBondContact CZ-O 3.27Å; F550-P711 HydrophobicContact CE1-CB 4.49Å; F550-P711 HydrophobicContact CE1-CG 4.4Å |
| 551 | E | 84.5 | Confident | 83.2 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.4 | -75 | -169.4 | 151.4 | 0 | 0 | 112.1 | Y547 G548 R554 Q555 | Y547-E551 WeakPolarHBondContact O-CB 3.25Å; Y547-E551 WeakPolarHBondContact O-CG 3.29Å; Y547-E551 PolarHBondContact O-N 2.86Å; G548-E551 PolarHBondContact O-N 3.49Å; E551-R554 PolarHBondContact O-N 3.41Å; E551-R554 IonicContact OE1-NH2 2.88Å; E551-Q555 WeakPolarHBondContact O-CB 3.36Å; E551-Q555 PolarHBondContact O-N 3.35Å |
| 552 | R | 81.5 | Confident | 83.3 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174 | -72.8 | -171.2 | -66.8 | -81 | 10.7 | 111.4 | E320 G548 E549 Q555 D556 | E320-R552 IonicContact OE1-NH2 2.76Å; E320-R552 IonicContact OE2-CZ 2.67Å; E320-R552 IonicContact OE2-NE 3.71Å; E320-R552 PolarHBondContact OE2-NE 2.92Å; E320-R552 IonicContact OE2-NH2 3.58Å; E320-R552 PolarHBondContact OE2-NH2 3.33Å; G548-R552 VanDerWaalsContact C-NH1 3.28Å; G548-R552 WeakPolarHBondContact O-CG 3.44Å; G548-R552 PolarHBondContact O-N 2.85Å; G548-R552 PolarHBondContact O-NH1 3.4Å; E549-R552 VanDerWaalsContact CG-NH2 3.32Å; E549-R552 PolarHBondContact O-N 3.45Å; R552-Q555 PolarHBondContact O-N 3.16Å; R552-D556 PolarHBondContact O-N 2.91Å |
| 553 | E | 80.7 | Confident | 83.3 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 179.3 | -163.3 | -170.5 | 168.4 | 0 | 0 | 111.3 | R246 E549 F550 Q555 D556 Y557 | R246-E553 VanDerWaalsContact NH1-N 3.17Å; E549-E553 WeakPolarHBondContact O-CB 3.17Å; E549-E553 PolarHBondContact O-N 3.37Å; F550-E553 PolarHBondContact O-N 2.96Å; E553-Q555 VanDerWaalsContact C-N 3.31Å; E553-Q555 PolarHBondContact O-N 3.2Å; E553-D556 WeakPolarHBondContact O-CB 3.03Å; E553-D556 PolarHBondContact O-N 3.26Å; E553-Y557 HydrophobicContact CG-CD2 4.16Å; E553-Y557 HydrophobicContact CG-CE2 3.53Å; E553-Y557 WeakPolarHBondContact O-CD2 3.12Å; E553-Y557 PolarHBondContact O-N 3.4Å; E553-Y557 VanDerWaalsContact OE1-CE2 3.25Å; E553-Y557 WeakPolarHBondContact OE1-CE2 3.24Å; E553-Y557 PolarHBondContact OE1-OH 2.95Å |
| 554 | R | 83 | Confident | 83.1 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 173.3 | -176.2 | -174.7 | 68.7 | -169.6 | -5.1 | 111.3 | F550 E551 Y557 L558 | F550-R554 WeakPolarHBondContact O-CB 2.98Å; F550-R554 PolarHBondContact O-N 2.97Å; E551-R554 PolarHBondContact O-N 3.41Å; E551-R554 IonicContact OE1-NH2 2.88Å; R554-Y557 PolarHBondContact O-N 3.27Å; R554-L558 HydrophobicContact CG-CD1 4.26Å; R554-L558 VanDerWaalsContact O-CG 3.29Å; R554-L558 WeakPolarHBondContact O-CG 3.34Å; R554-L558 PolarHBondContact O-N 3.24Å |
| 555 | Q | 82.3 | Confident | 83.1 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.9 | -177 | 64.6 | 37.2 | 0 | 0 | 111.2 | E551 R552 E553 Y557 L558 D559 R562 | E551-Q555 WeakPolarHBondContact O-CB 3.36Å; E551-Q555 PolarHBondContact O-N 3.35Å; R552-Q555 PolarHBondContact O-N 3.16Å; E553-Q555 VanDerWaalsContact C-N 3.31Å; E553-Q555 PolarHBondContact O-N 3.2Å; Q555-Y557 VanDerWaalsContact C-N 3.32Å; Q555-Y557 PolarHBondContact O-N 3.01Å; Q555-L558 PolarHBondContact O-N 2.93Å; Q555-L558 VanDerWaalsContact O-N 3.16Å; Q555-D559 PolarHBondContact NE2-OD1 3.33Å; Q555-D559 VanDerWaalsContact NE2-OD1 3.11Å; Q555-D559 PolarHBondContact NE2-OD2 3.08Å; Q555-D559 VanDerWaalsContact NE2-OD2 3.16Å; Q555-D559 PolarHBondContact O-N 3.41Å; Q555-R562 VanDerWaalsContact NE2-NH1 3.19Å |
| 556 | D | 79.7 | Confident | 83.2 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 176.2 | -72.1 | -16.5 | 0 | 0 | 0 | 111.8 | R246 S248 R552 E553 D559 T560 | R246-D556 WeakPolarHBondContact CD-OD2 3.39Å; S248-D556 VanDerWaalsContact CB-OD1 3.23Å; S248-D556 WeakPolarHBondContact CB-OD1 3.48Å; S248-D556 PolarHBondContact OG-OD1 3.35Å; S248-D556 PolarHBondContact OG-OD2 3.24Å; S248-D556 VanDerWaalsContact OG-OD2 3.08Å; R552-D556 PolarHBondContact O-N 2.91Å; E553-D556 WeakPolarHBondContact O-CB 3.03Å; E553-D556 PolarHBondContact O-N 3.26Å; D556-D559 PolarHBondContact O-N 3.35Å; D556-T560 PolarHBondContact O-N 3.05Å; D556-T560 PolarHBondContact O-OG1 2.81Å |
| 557 | Y | 80.8 | Confident | 83.2 | Confident | 69 Ų | 69 | 61.9 Ų | 61.9 | 27% | 0.271 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 173.7 | -70.3 | -51 | 0 | 0 | 0 | 112.1 | S268 E553 R554 Q555 D559 T560 I561 F709 | S268-Y557 PolarHBondContact OG-OH 3.41Å; E553-Y557 HydrophobicContact CG-CD2 4.16Å; E553-Y557 HydrophobicContact CG-CE2 3.53Å; E553-Y557 WeakPolarHBondContact O-CD2 3.12Å; E553-Y557 PolarHBondContact O-N 3.4Å; E553-Y557 VanDerWaalsContact OE1-CE2 3.25Å; E553-Y557 WeakPolarHBondContact OE1-CE2 3.24Å; E553-Y557 PolarHBondContact OE1-OH 2.95Å; R554-Y557 PolarHBondContact O-N 3.27Å; Q555-Y557 VanDerWaalsContact C-N 3.32Å; Q555-Y557 PolarHBondContact O-N 3.01Å; Y557-D559 VanDerWaalsContact C-N 3.33Å; Y557-D559 PolarHBondContact O-N 3.37Å; Y557-T560 WeakPolarHBondContact O-CB 3.5Å; Y557-T560 PolarHBondContact O-N 3.48Å; Y557-I561 VanDerWaalsContact O-CG1 3.26Å; Y557-I561 WeakPolarHBondContact O-CG1 3.41Å; Y557-I561 PolarHBondContact O-N 3.39Å; Y557-F709 HydrophobicContact CD2-CE1 4.07Å; Y557-F709 HydrophobicContact CD2-CE2 4.43Å; Y557-F709 AromaticContact CD2-CZ 3.78Å; Y557-F709 HydrophobicContact CD2-CZ 3.78Å; Y557-F709 HydrophobicContact CE2-CE1 4.11Å; Y557-F709 HydrophobicContact CE2-CZ 4.09Å; Y557-F709 HydrophobicContact CG-CZ 4.37Å |
| 558 | L | 85 | Confident | 83.3 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 177.8 | -72.4 | 173 | 0 | 0 | 0 | 111.9 | R554 Q555 T560 I561 R562 | R554-L558 HydrophobicContact CG-CD1 4.26Å; R554-L558 VanDerWaalsContact O-CG 3.29Å; R554-L558 WeakPolarHBondContact O-CG 3.34Å; R554-L558 PolarHBondContact O-N 3.24Å; Q555-L558 PolarHBondContact O-N 2.93Å; Q555-L558 VanDerWaalsContact O-N 3.16Å; L558-T560 VanDerWaalsContact C-N 3.33Å; L558-I561 PolarHBondContact O-N 2.82Å; L558-R562 WeakPolarHBondContact O-CB 3.48Å; L558-R562 VanDerWaalsContact O-CG 3.28Å; L558-R562 WeakPolarHBondContact O-CG 3.36Å; L558-R562 PolarHBondContact O-N 2.84Å |
| 559 | D | 82.6 | Confident | 83.6 | Confident | 56 Ų | 56 | 66.2 Ų | 66.2 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 177.1 | -71.7 | -26.6 | 0 | 0 | 0 | 111.8 | Q555 D556 Y557 R562 K563 | Q555-D559 PolarHBondContact NE2-OD1 3.33Å; Q555-D559 VanDerWaalsContact NE2-OD1 3.11Å; Q555-D559 PolarHBondContact NE2-OD2 3.08Å; Q555-D559 VanDerWaalsContact NE2-OD2 3.16Å; Q555-D559 PolarHBondContact O-N 3.41Å; D556-D559 PolarHBondContact O-N 3.35Å; Y557-D559 VanDerWaalsContact C-N 3.33Å; Y557-D559 PolarHBondContact O-N 3.37Å; D559-R562 PolarHBondContact O-N 2.85Å; D559-R562 IonicContact OD1-CZ 2.7Å; D559-R562 IonicContact OD1-NH1 3.04Å; D559-R562 PolarHBondContact OD1-NH1 2.77Å; D559-K563 VanDerWaalsContact O-CG 3.32Å; D559-K563 WeakPolarHBondContact O-CG 3.46Å; D559-K563 PolarHBondContact O-N 3.32Å |
| 560 | T | 79.1 | Confident | 83.9 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 14% | 0.135 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 171.8 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | T261 D556 Y557 L558 R562 K563 Q564 | T261-T560 HydrophobicContact CG2-CG2 4.12Å; T261-T560 WeakPolarHBondContact OG1-CG2 3.45Å; D556-T560 PolarHBondContact O-N 3.05Å; D556-T560 PolarHBondContact O-OG1 2.81Å; Y557-T560 WeakPolarHBondContact O-CB 3.5Å; Y557-T560 PolarHBondContact O-N 3.48Å; L558-T560 VanDerWaalsContact C-N 3.33Å; T560-R562 PolarHBondContact O-N 2.89Å; T560-K563 PolarHBondContact O-N 3.49Å; T560-Q564 WeakPolarHBondContact O-CB 3.24Å; T560-Q564 WeakPolarHBondContact O-CG 3.4Å; T560-Q564 PolarHBondContact O-N 3.29Å |
| 561 | I | 83.5 | Confident | 84.1 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 177.7 | -69 | 163.9 | 0 | 0 | 0 | 110.6 | Y557 L558 K563 Q564 N565 A705 | Y557-I561 VanDerWaalsContact O-CG1 3.26Å; Y557-I561 WeakPolarHBondContact O-CG1 3.41Å; Y557-I561 PolarHBondContact O-N 3.39Å; L558-I561 PolarHBondContact O-N 2.82Å; I561-K563 PolarHBondContact O-N 3.26Å; I561-Q564 PolarHBondContact O-N 2.9Å; I561-N565 WeakPolarHBondContact O-CB 3.24Å; I561-N565 VanDerWaalsContact O-CG 3.26Å; I561-N565 PolarHBondContact O-N 2.89Å; I561-N565 PolarHBondContact O-ND2 3.39Å; I561-A705 HydrophobicContact CD1-CB 4.21Å |
| 562 | R | 85.7 | Confident | 84.4 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 176.7 | -74 | 173.2 | -171.4 | 143.8 | 1.1 | 111.5 | Q555 L558 D559 T560 Q564 N565 Q566 | Q555-R562 VanDerWaalsContact NE2-NH1 3.19Å; L558-R562 WeakPolarHBondContact O-CB 3.48Å; L558-R562 VanDerWaalsContact O-CG 3.28Å; L558-R562 WeakPolarHBondContact O-CG 3.36Å; L558-R562 PolarHBondContact O-N 2.84Å; D559-R562 PolarHBondContact O-N 2.85Å; D559-R562 IonicContact OD1-CZ 2.7Å; D559-R562 IonicContact OD1-NH1 3.04Å; D559-R562 PolarHBondContact OD1-NH1 2.77Å; T560-R562 PolarHBondContact O-N 2.89Å; R562-Q564 PolarHBondContact O-N 3.03Å; R562-N565 PolarHBondContact O-N 3.22Å; R562-Q566 VanDerWaalsContact O-CG 3.29Å; R562-Q566 WeakPolarHBondContact O-CG 3.19Å; R562-Q566 PolarHBondContact O-N 2.86Å |
| 563 | K | 82.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 178.6 | -71.6 | 177.3 | -174.6 | 176.8 | 0 | 112.4 | L257 D559 T560 I561 Q566 Q567 | L257-K563 HydrophobicContact CD1-CD 4.48Å; L257-K563 HydrophobicContact CD2-CB 3.58Å; L257-K563 HydrophobicContact CD2-CD 3.45Å; L257-K563 VanDerWaalsContact CD2-CD 3.45Å; L257-K563 HydrophobicContact CD2-CG 4.16Å; D559-K563 VanDerWaalsContact O-CG 3.32Å; D559-K563 WeakPolarHBondContact O-CG 3.46Å; D559-K563 PolarHBondContact O-N 3.32Å; T560-K563 PolarHBondContact O-N 3.49Å; I561-K563 PolarHBondContact O-N 3.26Å; K563-Q566 WeakPolarHBondContact O-CB 3.43Å; K563-Q566 PolarHBondContact O-N 3.41Å; K563-Q567 WeakPolarHBondContact O-CG 3.36Å; K563-Q567 PolarHBondContact O-N 3.41Å |
| 564 | Q | 82.7 | Confident | 85.1 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.3 | -73.7 | 176.9 | -10.1 | 0 | 0 | 111.8 | T560 I561 R562 Q566 Q567 L568 | T560-Q564 WeakPolarHBondContact O-CB 3.24Å; T560-Q564 WeakPolarHBondContact O-CG 3.4Å; T560-Q564 PolarHBondContact O-N 3.29Å; I561-Q564 PolarHBondContact O-N 2.9Å; R562-Q564 PolarHBondContact O-N 3.03Å; Q564-Q566 VanDerWaalsContact C-N 3.3Å; Q564-Q566 PolarHBondContact O-N 3.3Å; Q564-Q567 WeakPolarHBondContact O-CB 3.23Å; Q564-Q567 PolarHBondContact O-N 3.35Å; Q564-Q567 VanDerWaalsContact O-N 3.11Å; Q564-L568 WeakPolarHBondContact O-CG 3.24Å; Q564-L568 PolarHBondContact O-N 3.35Å |
| 565 | N | 86.9 | Confident | 85.2 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 174.8 | -74.3 | -17.9 | 0 | 0 | 0 | 111.6 | I561 R562 L568 K569 | I561-N565 WeakPolarHBondContact O-CB 3.24Å; I561-N565 VanDerWaalsContact O-CG 3.26Å; I561-N565 PolarHBondContact O-N 2.89Å; I561-N565 PolarHBondContact O-ND2 3.39Å; R562-N565 PolarHBondContact O-N 3.22Å; N565-L568 PolarHBondContact O-N 3.28Å; N565-K569 WeakPolarHBondContact O-CB 3.46Å; N565-K569 PolarHBondContact O-N 2.86Å |
| 566 | Q | 86.6 | Confident | 85.4 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 171.1 | -71.8 | 170.6 | -5.9 | 0 | 0 | 111.1 | R562 K563 Q564 K569 L570 W600 W607 | R562-Q566 VanDerWaalsContact O-CG 3.29Å; R562-Q566 WeakPolarHBondContact O-CG 3.19Å; R562-Q566 PolarHBondContact O-N 2.86Å; K563-Q566 WeakPolarHBondContact O-CB 3.43Å; K563-Q566 PolarHBondContact O-N 3.41Å; Q564-Q566 VanDerWaalsContact C-N 3.3Å; Q564-Q566 PolarHBondContact O-N 3.3Å; Q566-K569 WeakPolarHBondContact O-CB 3.23Å; Q566-K569 PolarHBondContact O-N 3.39Å; Q566-L570 PolarHBondContact O-N 3.41Å; Q566-W600 HydrophobicContact CB-CE3 4.33Å; Q566-W600 HydrophobicContact CB-CH2 4.49Å; Q566-W600 HydrophobicContact CB-CZ3 4.25Å; Q566-W600 HydrophobicContact CG-CD2 3.98Å; Q566-W600 HydrophobicContact CG-CE3 4Å; Q566-W600 HydrophobicContact CG-CH2 3.66Å; Q566-W600 HydrophobicContact CG-CZ2 3.67Å; Q566-W600 HydrophobicContact CG-CZ3 3.84Å; Q566-W607 HydrophobicContact CB-CZ2 4.14Å; Q566-W607 PolarHBondContact O-NE1 2.6Å |
| 567 | Q | 84.1 | Confident | 85.6 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 178.2 | -73.1 | -178.9 | -13.7 | 0 | 0 | 113.1 | K563 Q564 K569 L570 L571 | K563-Q567 WeakPolarHBondContact O-CG 3.36Å; K563-Q567 PolarHBondContact O-N 3.41Å; Q564-Q567 WeakPolarHBondContact O-CB 3.23Å; Q564-Q567 PolarHBondContact O-N 3.35Å; Q564-Q567 VanDerWaalsContact O-N 3.11Å; Q567-K569 VanDerWaalsContact C-N 3.26Å; Q567-K569 PolarHBondContact O-N 2.85Å; Q567-L570 WeakPolarHBondContact O-CB 3.4Å; Q567-L570 PolarHBondContact O-N 2.75Å; Q567-L571 WeakPolarHBondContact O-CG 3.28Å; Q567-L571 PolarHBondContact O-N 3.21Å |
| 568 | L | 87.7 | Confident | 85.6 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 59% | 0.592 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 174.8 | -73.4 | 173.5 | 0 | 0 | 0 | 111 | Q564 N565 L571 S572 | Q564-L568 WeakPolarHBondContact O-CG 3.24Å; Q564-L568 PolarHBondContact O-N 3.35Å; N565-L568 PolarHBondContact O-N 3.28Å; L568-L571 PolarHBondContact O-N 3.15Å; L568-S572 WeakPolarHBondContact O-CB 3.49Å; L568-S572 PolarHBondContact O-N 2.78Å |
| 569 | K | 90 | Very high | 85.3 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 32% | 0.317 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 176.5 | -165.2 | 164.8 | -170.8 | 176.9 | 0 | 112.4 | N565 Q566 Q567 L571 S572 Q573 W600 Q605 N606 | N565-K569 WeakPolarHBondContact O-CB 3.46Å; N565-K569 PolarHBondContact O-N 2.86Å; Q566-K569 WeakPolarHBondContact O-CB 3.23Å; Q566-K569 PolarHBondContact O-N 3.39Å; Q567-K569 VanDerWaalsContact C-N 3.26Å; Q567-K569 PolarHBondContact O-N 2.85Å; K569-L571 PolarHBondContact O-N 2.8Å; K569-S572 WeakPolarHBondContact O-CB 3.38Å; K569-S572 PolarHBondContact O-N 3.46Å; K569-Q573 WeakPolarHBondContact O-CG 3.44Å; K569-Q573 PolarHBondContact O-N 3.43Å; K569-W600 HydrophobicContact CD-CH2 4.44Å; K569-W600 HydrophobicContact CD-CZ3 4.29Å; K569-Q605 WeakPolarHBondContact CD-O 3.48Å; K569-Q605 VanDerWaalsContact CE-O 3.27Å; K569-Q605 WeakPolarHBondContact CE-O 3.16Å; K569-Q605 PolarHBondContact NZ-O 2.82Å; K569-N606 WeakPolarHBondContact CE-OD1 3.41Å; K569-N606 PolarHBondContact NZ-OD1 3.04Å |
| 570 | L | 89.1 | Confident | 84.9 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57 | -50.3 | 173.3 | -179.9 | 60.1 | 0 | 0 | 0 | 111 | Q566 Q567 S572 Q573 L574 Q595 A598 W607 L609 | Q566-L570 PolarHBondContact O-N 3.41Å; Q567-L570 WeakPolarHBondContact O-CB 3.4Å; Q567-L570 PolarHBondContact O-N 2.75Å; L570-S572 VanDerWaalsContact C-N 3.33Å; L570-S572 PolarHBondContact O-N 2.67Å; L570-Q573 PolarHBondContact O-N 2.61Å; L570-L574 HydrophobicContact CD1-CD1 4.29Å; L570-L574 HydrophobicContact CD1-CG 4.35Å; L570-L574 HydrophobicContact CG-CD1 4.05Å; L570-L574 WeakPolarHBondContact O-CB 3.49Å; L570-L574 VanDerWaalsContact O-CG 3.31Å; L570-L574 WeakPolarHBondContact O-CG 3Å; L570-L574 PolarHBondContact O-N 3.42Å; L570-Q595 HydrophobicContact CD2-CG 4.49Å; L570-A598 HydrophobicContact CD1-CB 3.76Å; L570-W607 HydrophobicContact CB-CD2 4.06Å; L570-W607 HydrophobicContact CB-CG 3.98Å; L570-W607 HydrophobicContact CB-CZ2 4.38Å; L570-W607 HydrophobicContact CD1-CB 3.88Å; L570-W607 HydrophobicContact CD1-CD2 3.76Å; L570-W607 HydrophobicContact CD1-CE3 4.08Å; L570-W607 HydrophobicContact CD1-CG 3.66Å; L570-W607 HydrophobicContact CD2-CD2 4.4Å; L570-W607 HydrophobicContact CD2-CH2 4.48Å; L570-W607 HydrophobicContact CD2-CZ2 4.36Å; L570-W607 HydrophobicContact CG-CD2 4.29Å; L570-W607 HydrophobicContact CG-CG 4.37Å; L570-L609 HydrophobicContact CD1-CD2 3.66Å |
| 571 | L | 88.3 | Confident | 84.4 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 42% | 0.419 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | -180 | -69.4 | 172 | 0 | 0 | 0 | 112 | Q567 L568 K569 L574 L575 | Q567-L571 WeakPolarHBondContact O-CG 3.28Å; Q567-L571 PolarHBondContact O-N 3.21Å; L568-L571 PolarHBondContact O-N 3.15Å; K569-L571 PolarHBondContact O-N 2.8Å; L571-L574 PolarHBondContact O-N 3.08Å; L571-L575 WeakPolarHBondContact O-CG 3.37Å; L571-L575 PolarHBondContact O-N 3.21Å |
| 572 | S | 90.2 | Very high | 83.5 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 173.9 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | L568 K569 L570 L574 L575 D576 | L568-S572 WeakPolarHBondContact O-CB 3.49Å; L568-S572 PolarHBondContact O-N 2.78Å; K569-S572 WeakPolarHBondContact O-CB 3.38Å; K569-S572 PolarHBondContact O-N 3.46Å; L570-S572 VanDerWaalsContact C-N 3.33Å; L570-S572 PolarHBondContact O-N 2.67Å; S572-L574 VanDerWaalsContact C-N 3.31Å; S572-L574 PolarHBondContact O-N 3.33Å; S572-L575 PolarHBondContact O-N 3.34Å; S572-D576 PolarHBondContact O-N 3.35Å |
| 573 | Q | 90.3 | Very high | 82.2 | Confident | 39 Ų | 39 | 77 Ų | 77 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 179.1 | -69.5 | 177.5 | -63.4 | 0 | 0 | 112.1 | K569 L570 K577 W607 L609 | K569-Q573 WeakPolarHBondContact O-CG 3.44Å; K569-Q573 PolarHBondContact O-N 3.43Å; L570-Q573 PolarHBondContact O-N 2.61Å; Q573-K577 VanDerWaalsContact O-CG 3.29Å; Q573-K577 WeakPolarHBondContact O-CG 3.39Å; Q573-K577 PolarHBondContact O-N 3.12Å; Q573-W607 PolarHBondContact NE2-O 3.3Å; Q573-L609 HydrophobicContact CB-CD1 3.67Å |
| 574 | L | 87.4 | Confident | 81.1 | Confident | 7 Ų | 7 | 80.3 Ų | 80.3 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 173.1 | -75 | 172.1 | 0 | 0 | 0 | 111.5 | L570 L571 S572 D576 K577 V578 Y588 V594 Q595 L609 | L570-L574 HydrophobicContact CD1-CD1 4.29Å; L570-L574 HydrophobicContact CD1-CG 4.35Å; L570-L574 HydrophobicContact CG-CD1 4.05Å; L570-L574 WeakPolarHBondContact O-CB 3.49Å; L570-L574 VanDerWaalsContact O-CG 3.31Å; L570-L574 WeakPolarHBondContact O-CG 3Å; L570-L574 PolarHBondContact O-N 3.42Å; L571-L574 PolarHBondContact O-N 3.08Å; S572-L574 VanDerWaalsContact C-N 3.31Å; S572-L574 PolarHBondContact O-N 3.33Å; L574-D576 VanDerWaalsContact C-N 3.31Å; L574-D576 PolarHBondContact O-N 3.48Å; L574-K577 PolarHBondContact O-N 2.73Å; L574-K577 VanDerWaalsContact O-N 3.16Å; L574-V578 WeakPolarHBondContact O-CB 3.48Å; L574-V578 WeakPolarHBondContact O-CG2 3.39Å; L574-V578 PolarHBondContact O-N 3.18Å; L574-Y588 HydrophobicContact CD2-CD1 4.5Å; L574-Y588 HydrophobicContact CD2-CE1 4.07Å; L574-V594 HydrophobicContact CD2-CB 4.41Å; L574-V594 HydrophobicContact CD2-CG1 3.55Å; L574-Q595 HydrophobicContact CD1-CG 3.75Å; L574-L609 HydrophobicContact CD2-CD1 4.25Å; L574-L609 HydrophobicContact CD2-CD2 3.88Å; L574-L609 HydrophobicContact CG-CD2 4.32Å |
| 575 | L | 84.8 | Confident | 80.5 | Confident | 124 Ų | 124 | 81.3 Ų | 81.3 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -57.5 | -44.5 | 176.2 | -81.3 | 166.7 | 0 | 0 | 0 | 111.7 | L571 S572 K577 V578 K579 | L571-L575 WeakPolarHBondContact O-CG 3.37Å; L571-L575 PolarHBondContact O-N 3.21Å; S572-L575 PolarHBondContact O-N 3.34Å; L575-K577 VanDerWaalsContact C-N 3.3Å; L575-K577 PolarHBondContact O-N 3.02Å; L575-V578 PolarHBondContact O-N 3.44Å; L575-K579 WeakPolarHBondContact O-CB 3.29Å; L575-K579 PolarHBondContact O-N 2.87Å |
| 576 | D | 86.3 | Confident | 80.1 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.7 | -37.7 | 177.3 | -70.5 | -25.2 | 0 | 0 | 0 | 112.5 | S572 L574 P580 | S572-D576 PolarHBondContact O-N 3.35Å; L574-D576 VanDerWaalsContact C-N 3.31Å; L574-D576 PolarHBondContact O-N 3.48Å; D576-P580 WeakPolarHBondContact O-CD 3.25Å |
| 577 | K | 83.1 | Confident | 79.8 | Confident | 103 Ų | 103 | 78.6 Ų | 78.6 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -79.8 | -31.9 | 179 | -67.9 | -69.2 | -176.2 | 179.4 | 0 | 113.5 | Q573 L574 L575 P580 C581 Y588 L609 | Q573-K577 VanDerWaalsContact O-CG 3.29Å; Q573-K577 WeakPolarHBondContact O-CG 3.39Å; Q573-K577 PolarHBondContact O-N 3.12Å; L574-K577 PolarHBondContact O-N 2.73Å; L574-K577 VanDerWaalsContact O-N 3.16Å; L575-K577 VanDerWaalsContact C-N 3.3Å; L575-K577 PolarHBondContact O-N 3.02Å; K577-P580 WeakPolarHBondContact O-CD 3.45Å; K577-P580 WeakPolarHBondContact O-CG 3.4Å; K577-C581 PolarHBondContact O-SG 3.43Å; K577-Y588 HydrophobicContact CB-CD1 4.18Å; K577-Y588 HydrophobicContact CB-CE1 3.56Å; K577-Y588 HydrophobicContact CG-CE1 4.24Å; K577-L609 HydrophobicContact CG-CD1 3.99Å |
| 578 | V | 81.6 | Confident | 79.7 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 25% | 0.248 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -80.7 | -35.7 | -178.7 | 172.9 | 0 | 0 | 0 | 0 | 112 | L574 L575 P580 C581 I582 Y588 L591 | L574-V578 WeakPolarHBondContact O-CB 3.48Å; L574-V578 WeakPolarHBondContact O-CG2 3.39Å; L574-V578 PolarHBondContact O-N 3.18Å; L575-V578 PolarHBondContact O-N 3.44Å; V578-P580 VanDerWaalsContact C-N 3.34Å; V578-C581 WeakPolarHBondContact O-CA 3.46Å; V578-C581 WeakPolarHBondContact O-CB 3.42Å; V578-C581 PolarHBondContact O-N 3.3Å; V578-I582 PolarHBondContact O-N 3.3Å; V578-Y588 HydrophobicContact CG2-CD1 3.93Å; V578-L591 HydrophobicContact CG2-CD2 3.89Å |
| 579 | K | 77.7 | Confident | 79.2 | Confident | 163 Ų | 163 | 75.5 Ų | 75.5 | 71% | 0.709 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -47.7 | -44.5 | 178.5 | -172.9 | 177.5 | -178.9 | -179.1 | 0 | 114.2 | L575 C581 I582 | L575-K579 WeakPolarHBondContact O-CB 3.29Å; L575-K579 PolarHBondContact O-N 2.87Å; K579-C581 VanDerWaalsContact C-N 3.33Å; K579-C581 PolarHBondContact O-N 3.22Å; K579-I582 WeakPolarHBondContact O-CD1 3.46Å |
| 580 | P | 74.3 | Confident | 78.8 | Confident | 95 Ų | 95 | 75.9 Ų | 75.9 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -77.5 | -10.6 | 175.2 | 29.2 | -35.8 | 0 | 0 | 0 | 115 | D576 K577 V578 | D576-P580 WeakPolarHBondContact O-CD 3.25Å; K577-P580 WeakPolarHBondContact O-CD 3.45Å; K577-P580 WeakPolarHBondContact O-CG 3.4Å; V578-P580 VanDerWaalsContact C-N 3.34Å |
| 581 | C | 70 | Confident | 78.4 | Confident | 18 Ų | 18 | 78.9 Ų | 78.9 | 12% | 0.122 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -100.9 | -4 | -171.4 | -61.5 | 0 | 0 | 0 | 0 | 114.8 | K577 V578 K579 P583 R584 | K577-C581 PolarHBondContact O-SG 3.43Å; V578-C581 WeakPolarHBondContact O-CA 3.46Å; V578-C581 WeakPolarHBondContact O-CB 3.42Å; V578-C581 PolarHBondContact O-N 3.3Å; K579-C581 VanDerWaalsContact C-N 3.33Å; K579-C581 PolarHBondContact O-N 3.22Å; C581-P583 VanDerWaalsContact C-CD 3.45Å; C581-P583 VanDerWaalsContact C-N 3.27Å; C581-R584 PolarHBondContact O-N 2.82Å; C581-R584 VanDerWaalsContact O-N 3.09Å |
| 582 | I | 63.4 | Low | 78.1 | Confident | 135 Ų | 135 | 81.7 Ų | 81.7 | 69% | 0.692 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -35.7 | -172.8 | -62.3 | 171.4 | 0 | 0 | 0 | 114.6 | V578 K579 | V578-I582 PolarHBondContact O-N 3.3Å; K579-I582 WeakPolarHBondContact O-CD1 3.46Å |
| 583 | P | 59.4 | Low | 77.7 | Confident | 116 Ų | 116 | 79.5 Ų | 79.5 | 75% | 0.753 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 15.5 | -179.4 | -1 | 22.8 | 0 | 0 | 0 | 116.6 | C581 | C581-P583 VanDerWaalsContact C-CD 3.45Å; C581-P583 VanDerWaalsContact C-N 3.27Å |
| 584 | R | 60.4 | Low | 77.4 | Confident | 154 Ų | 154 | 78 Ų | 78 | 58% | 0.581 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -130 | 138 | -171.7 | -60 | -173.7 | -176.8 | -131.4 | -1.1 | 113.9 | C581 C586 I614 | C581-R584 PolarHBondContact O-N 2.82Å; C581-R584 VanDerWaalsContact O-N 3.09Å; R584-C586 PolarHBondContact O-N 3.48Å; R584-C586 PolarHBondContact O-SG 2.96Å; R584-I614 HydrophobicContact CB-CG2 4.31Å |
| 585 | D | 68.9 | Low | 77.3 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | trans | -56.4 | 97.1 | 164.4 | -63.7 | -22.7 | 0 | 0 | 0 | 108.7 | T615 T617 | D585-T615 WeakPolarHBondContact CB-OG1 3.25Å; D585-T615 PolarHBondContact O-N 3.38Å; D585-T615 PolarHBondContact O-OG1 2.94Å; D585-T617 PolarHBondContact OD2-OG1 3.19Å | ||
| 586 | C | 78.7 | Confident | 77.3 | Confident | 13 Ų | 13 | 85 Ų | 85 | 9% | 0.088 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -137 | 159.9 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | R584 Y588 A589 V612 I613 I614 | R584-C586 PolarHBondContact O-N 3.48Å; R584-C586 PolarHBondContact O-SG 2.96Å; C586-Y588 PolarHBondContact O-N 3.43Å; C586-Y588 VanDerWaalsContact O-N 3.16Å; C586-A589 VanDerWaalsContact O-CB 3.26Å; C586-A589 WeakPolarHBondContact O-CB 3.41Å; C586-A589 PolarHBondContact O-N 3.03Å; C586-V612 HydrophobicContact CB-CG1 4.32Å; C586-I613 WeakPolarHBondContact CA-O 3.38Å; C586-I613 VanDerWaalsContact CB-O 3.32Å; C586-I613 WeakPolarHBondContact CB-O 3.37Å; C586-I614 HydrophobicContact CB-CG1 4.41Å |
| 587 | N | 80.8 | Confident | 77.3 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -58.7 | -25.2 | 177.4 | 63.7 | -35.3 | 0 | 0 | 0 | 113.8 | A589 D590 E611 I613 | N587-A589 PolarHBondContact O-N 3.21Å; N587-D590 PolarHBondContact O-N 3.31Å; N587-E611 PolarHBondContact ND2-O 3Å; N587-I613 HydrophobicContact CB-CB 4.46Å; N587-I613 PolarHBondContact N-O 3.29Å; N587-I613 VanDerWaalsContact N-O 3.08Å; N587-I613 PolarHBondContact OD1-N 3.42Å; N587-I613 PolarHBondContact OD1-O 2.62Å |
| 588 | Y | 80.7 | Confident | 77.6 | Confident | 6 Ų | 6 | 78 Ų | 78 | 2% | 0.024 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -72.3 | -4.4 | 175.9 | -84.2 | -105.1 | 0 | 0 | 0 | 114.4 | L574 K577 V578 C586 D590 V594 L609 P610 V612 | L574-Y588 HydrophobicContact CD2-CD1 4.5Å; L574-Y588 HydrophobicContact CD2-CE1 4.07Å; K577-Y588 HydrophobicContact CB-CD1 4.18Å; K577-Y588 HydrophobicContact CB-CE1 3.56Å; K577-Y588 HydrophobicContact CG-CE1 4.24Å; V578-Y588 HydrophobicContact CG2-CD1 3.93Å; C586-Y588 PolarHBondContact O-N 3.43Å; C586-Y588 VanDerWaalsContact O-N 3.16Å; Y588-D590 PolarHBondContact O-N 2.96Å; Y588-V594 HydrophobicContact CD1-CG1 4.15Å; Y588-V594 HydrophobicContact CD1-CG2 4.16Å; Y588-V594 HydrophobicContact CD2-CG2 4.31Å; Y588-V594 HydrophobicContact CE1-CG1 3.73Å; Y588-V594 HydrophobicContact CE1-CG2 4.42Å; Y588-V594 HydrophobicContact CG-CG2 4.13Å; Y588-L609 WeakPolarHBondContact OH-CB 3.24Å; Y588-P610 WeakPolarHBondContact CE2-O 3.49Å; Y588-P610 PolarHBondContact OH-O 3.17Å; Y588-V612 HydrophobicContact CD2-CB 4.21Å; Y588-V612 HydrophobicContact CD2-CG1 4.34Å; Y588-V612 HydrophobicContact CD2-CG2 3.7Å; Y588-V612 HydrophobicContact CE2-CB 4.16Å; Y588-V612 HydrophobicContact CE2-CG2 3.45Å; Y588-V612 VanDerWaalsContact CE2-CG2 3.45Å |
| 589 | A | 77.2 | Confident | 78 | Confident | 84 Ų | 84 | 80.4 Ų | 80.4 | 69% | 0.694 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -62.1 | -33.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C586 N587 L591 | C586-A589 VanDerWaalsContact O-CB 3.26Å; C586-A589 WeakPolarHBondContact O-CB 3.41Å; C586-A589 PolarHBondContact O-N 3.03Å; N587-A589 PolarHBondContact O-N 3.21Å; A589-L591 PolarHBondContact O-N 2.96Å |
| 590 | D | 81.5 | Confident | 78.6 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 43% | 0.433 | 41% | 0.408 | S | S | . | . | trans | -90.4 | 82.1 | 170.9 | -179.8 | 13.6 | 0 | 0 | 0 | 110.7 | N587 Y588 E592 G593 V594 | N587-D590 PolarHBondContact O-N 3.31Å; Y588-D590 PolarHBondContact O-N 2.96Å; D590-E592 PolarHBondContact O-N 3.27Å; D590-E592 PolarHBondContact OD1-N 2.89Å; D590-G593 VanDerWaalsContact CG-N 3.29Å; D590-G593 PolarHBondContact O-N 3.4Å; D590-G593 PolarHBondContact OD1-N 3.18Å; D590-G593 WeakPolarHBondContact OD2-CA 3.23Å; D590-G593 PolarHBondContact OD2-N 3.27Å; D590-V594 WeakPolarHBondContact O-CG2 3.06Å; D590-V594 PolarHBondContact O-N 2.92Å; D590-V594 VanDerWaalsContact O-N 3.08Å | ||
| 591 | L | 81.4 | Confident | 79.2 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.8 | -35.8 | 177.4 | -74.6 | 165.5 | 0 | 0 | 0 | 112.7 | V578 A589 V594 Q595 | V578-L591 HydrophobicContact CG2-CD2 3.89Å; A589-L591 PolarHBondContact O-N 2.96Å; L591-V594 PolarHBondContact O-N 3.34Å; L591-Q595 WeakPolarHBondContact O-CB 3.4Å; L591-Q595 VanDerWaalsContact O-CG 3.29Å; L591-Q595 WeakPolarHBondContact O-CG 3.31Å; L591-Q595 PolarHBondContact O-N 2.75Å |
| 592 | E | 81.5 | Confident | 80 | Confident | 139 Ų | 139 | 75.6 Ų | 75.6 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.8 | -39 | -179.4 | -66.3 | -175.1 | 177.5 | 0 | 0 | 111.6 | D590 Q595 R596 | D590-E592 PolarHBondContact O-N 3.27Å; D590-E592 PolarHBondContact OD1-N 2.89Å; E592-Q595 PolarHBondContact O-N 3.36Å; E592-R596 WeakPolarHBondContact O-CG 3.15Å; E592-R596 PolarHBondContact O-N 3.19Å; E592-R596 PolarHBondContact O-NE 2.88Å |
| 593 | G | 82.2 | Confident | 81.2 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D590 R596 A597 | D590-G593 VanDerWaalsContact CG-N 3.29Å; D590-G593 PolarHBondContact O-N 3.4Å; D590-G593 PolarHBondContact OD1-N 3.18Å; D590-G593 WeakPolarHBondContact OD2-CA 3.23Å; D590-G593 PolarHBondContact OD2-N 3.27Å; G593-R596 PolarHBondContact O-N 3.08Å; G593-A597 PolarHBondContact O-N 3.05Å; G593-A597 VanDerWaalsContact O-N 3.08Å |
| 594 | V | 84.6 | Confident | 82.6 | Confident | 6 Ų | 6 | 74.8 Ų | 74.8 | 4% | 0.036 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | L574 Y588 D590 L591 R596 A597 A598 L609 P610 | L574-V594 HydrophobicContact CD2-CB 4.41Å; L574-V594 HydrophobicContact CD2-CG1 3.55Å; Y588-V594 HydrophobicContact CD1-CG1 4.15Å; Y588-V594 HydrophobicContact CD1-CG2 4.16Å; Y588-V594 HydrophobicContact CD2-CG2 4.31Å; Y588-V594 HydrophobicContact CE1-CG1 3.73Å; Y588-V594 HydrophobicContact CE1-CG2 4.42Å; Y588-V594 HydrophobicContact CG-CG2 4.13Å; D590-V594 WeakPolarHBondContact O-CG2 3.06Å; D590-V594 PolarHBondContact O-N 2.92Å; D590-V594 VanDerWaalsContact O-N 3.08Å; L591-V594 PolarHBondContact O-N 3.34Å; V594-R596 PolarHBondContact O-N 3.18Å; V594-A597 PolarHBondContact O-N 3.04Å; V594-A598 PolarHBondContact O-N 3.42Å; V594-L609 HydrophobicContact CG1-CD2 4.32Å; V594-P610 HydrophobicContact CG1-CG 4.25Å |
| 595 | Q | 85.5 | Confident | 83.9 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.1 | -77.8 | 177.8 | 0.7 | 0 | 0 | 112.5 | L570 L574 L591 E592 A597 A598 | L570-Q595 HydrophobicContact CD2-CG 4.49Å; L574-Q595 HydrophobicContact CD1-CG 3.75Å; L591-Q595 WeakPolarHBondContact O-CB 3.4Å; L591-Q595 VanDerWaalsContact O-CG 3.29Å; L591-Q595 WeakPolarHBondContact O-CG 3.31Å; L591-Q595 PolarHBondContact O-N 2.75Å; E592-Q595 PolarHBondContact O-N 3.36Å; Q595-A597 VanDerWaalsContact C-N 3.31Å; Q595-A597 PolarHBondContact O-N 3.27Å; Q595-A598 WeakPolarHBondContact O-CB 3.43Å; Q595-A598 PolarHBondContact O-N 2.73Å |
| 596 | R | 84 | Confident | 84.9 | Confident | 194 Ų | 194 | 72.1 Ų | 72.1 | 73% | 0.732 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.6 | -32.2 | 176.2 | -78.1 | -177 | -70.8 | 148.6 | -4.2 | 113.1 | E592 G593 V594 | E592-R596 WeakPolarHBondContact O-CG 3.15Å; E592-R596 PolarHBondContact O-N 3.19Å; E592-R596 PolarHBondContact O-NE 2.88Å; G593-R596 PolarHBondContact O-N 3.08Å; V594-R596 PolarHBondContact O-N 3.18Å |
| 597 | A | 86.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -85.5 | -10.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G593 V594 Q595 P610 | G593-A597 PolarHBondContact O-N 3.05Å; G593-A597 VanDerWaalsContact O-N 3.08Å; V594-A597 PolarHBondContact O-N 3.04Å; Q595-A597 VanDerWaalsContact C-N 3.31Å; Q595-A597 PolarHBondContact O-N 3.27Å; A597-P610 HydrophobicContact CB-CG 3.56Å |
| 598 | A | 88.8 | Confident | 86 | Confident | 12 Ų | 12 | 75.4 Ų | 75.4 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | trans | -71.3 | 129.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L570 V594 Q595 W607 L609 | L570-A598 HydrophobicContact CD1-CB 3.76Å; V594-A598 PolarHBondContact O-N 3.42Å; Q595-A598 WeakPolarHBondContact O-CB 3.43Å; Q595-A598 PolarHBondContact O-N 2.73Å; A598-W607 HydrophobicContact CB-CE3 3.84Å; A598-W607 HydrophobicContact CB-CZ3 4.35Å; A598-L609 HydrophobicContact CB-CD2 3.86Å | ||
| 599 | V | 90.8 | Very high | 86.5 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.4 | 178.7 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | D601 N608 | V599-D601 PolarHBondContact O-N 3.11Å; V599-N608 PolarHBondContact N-O 3.19Å; V599-N608 PolarHBondContact O-N 3.02Å |
| 600 | W | 89.1 | Confident | 86.9 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 26% | 0.261 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 122 | 174.9 | 175.5 | -102.2 | 0 | 0 | 0 | 110.7 | Q566 K569 Q605 W607 | Q566-W600 HydrophobicContact CB-CE3 4.33Å; Q566-W600 HydrophobicContact CB-CH2 4.49Å; Q566-W600 HydrophobicContact CB-CZ3 4.25Å; Q566-W600 HydrophobicContact CG-CD2 3.98Å; Q566-W600 HydrophobicContact CG-CE3 4Å; Q566-W600 HydrophobicContact CG-CH2 3.66Å; Q566-W600 HydrophobicContact CG-CZ2 3.67Å; Q566-W600 HydrophobicContact CG-CZ3 3.84Å; K569-W600 HydrophobicContact CD-CH2 4.44Å; K569-W600 HydrophobicContact CD-CZ3 4.29Å; W600-Q605 HydrophobicContact CH2-CB 4.08Å; W600-Q605 WeakPolarHBondContact CH2-O 3.15Å; W600-Q605 HydrophobicContact CZ2-CB 4.09Å; W600-Q605 WeakPolarHBondContact CZ3-O 3.43Å; W600-W607 HydrophobicContact CB-CD2 4.29Å; W600-W607 HydrophobicContact CB-CE3 4.08Å; W600-W607 HydrophobicContact CB-CH2 4.11Å; W600-W607 HydrophobicContact CB-CZ2 4.3Å; W600-W607 HydrophobicContact CB-CZ3 3.99Å; W600-W607 AromaticContact CE3-CD1 3.6Å; W600-W607 AromaticContact CE3-CD2 3.94Å; W600-W607 HydrophobicContact CE3-CD2 3.94Å; W600-W607 AromaticContact CE3-CE2 3.62Å; W600-W607 AromaticContact CE3-CG 3.94Å; W600-W607 HydrophobicContact CE3-CG 3.94Å; W600-W607 HydrophobicContact CE3-CZ2 4.28Å; W600-W607 AromaticContact CE3-NE1 3.34Å; W600-W607 VanDerWaalsContact CE3-NE1 3.34Å; W600-W607 AromaticContact CZ3-CD1 3.74Å; W600-W607 HydrophobicContact CZ3-CG 4.45Å; W600-W607 AromaticContact CZ3-NE1 3.6Å |
| 601 | D | 88.8 | Confident | 86.9 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 20% | 0.198 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111.3 | 169.9 | -174.5 | -17.4 | 0 | 0 | 0 | 109.3 | V599 D603 C604 Q605 N606 | V599-D601 PolarHBondContact O-N 3.11Å; D601-D603 VanDerWaalsContact C-N 3.33Å; D601-D603 WeakPolarHBondContact OD1-CB 3.16Å; D601-D603 PolarHBondContact OD1-N 3.47Å; D601-C604 HydrophobicContact CB-CB 4.21Å; D601-C604 PolarHBondContact OD1-N 2.67Å; D601-C604 VanDerWaalsContact OD1-N 3.12Å; D601-C604 WeakPolarHBondContact OD2-CB 3.3Å; D601-C604 PolarHBondContact OD2-SG 2.85Å; D601-Q605 VanDerWaalsContact O-CA 3.24Å; D601-Q605 WeakPolarHBondContact O-CA 3.45Å; D601-Q605 PolarHBondContact O-N 3.16Å; D601-N606 WeakPolarHBondContact CB-O 3.47Å; D601-N606 PolarHBondContact N-O 2.9Å; D601-N606 PolarHBondContact O-N 2.76Å |
| 602 | A | 86.9 | Confident | 86.9 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -30 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 603 | D | 87.9 | Confident | 86.7 | Confident | 157 Ų | 157 | 76 Ų | 76 | 84% | 0.84 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -44.1 | -177.2 | -64.2 | -33 | 0 | 0 | 0 | 110.3 | D601 Q605 | D601-D603 VanDerWaalsContact C-N 3.33Å; D601-D603 WeakPolarHBondContact OD1-CB 3.16Å; D601-D603 PolarHBondContact OD1-N 3.47Å; D603-Q605 VanDerWaalsContact C-N 3.33Å |
| 604 | C | 88.5 | Confident | 86.3 | Confident | 76 Ų | 76 | 78.9 Ų | 78.9 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.2 | 176.8 | -62.8 | 0 | 0 | 0 | 0 | 113.7 | D601 N606 | D601-C604 HydrophobicContact CB-CB 4.21Å; D601-C604 PolarHBondContact OD1-N 2.67Å; D601-C604 VanDerWaalsContact OD1-N 3.12Å; D601-C604 WeakPolarHBondContact OD2-CB 3.3Å; D601-C604 PolarHBondContact OD2-SG 2.85Å; C604-N606 HydrophobicContact CB-CB 4.27Å; C604-N606 PolarHBondContact O-N 2.84Å |
| 605 | Q | 87.9 | Confident | 85.6 | Confident | 128 Ų | 128 | 82.6 Ų | 82.6 | 60% | 0.598 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 34.9 | -169.3 | -59.3 | -171.9 | -13.3 | 0 | 0 | 113.2 | K569 W600 D601 D603 | K569-Q605 WeakPolarHBondContact CD-O 3.48Å; K569-Q605 VanDerWaalsContact CE-O 3.27Å; K569-Q605 WeakPolarHBondContact CE-O 3.16Å; K569-Q605 PolarHBondContact NZ-O 2.82Å; W600-Q605 HydrophobicContact CH2-CB 4.08Å; W600-Q605 WeakPolarHBondContact CH2-O 3.15Å; W600-Q605 HydrophobicContact CZ2-CB 4.09Å; W600-Q605 WeakPolarHBondContact CZ3-O 3.43Å; D601-Q605 VanDerWaalsContact O-CA 3.24Å; D601-Q605 WeakPolarHBondContact O-CA 3.45Å; D601-Q605 PolarHBondContact O-N 3.16Å; D603-Q605 VanDerWaalsContact C-N 3.33Å |
| 606 | N | 90.6 | Very high | 84.7 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 32% | 0.321 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.5 | -174.9 | -83.9 | -13.7 | 0 | 0 | 0 | 110.4 | K569 D601 C604 | K569-N606 WeakPolarHBondContact CE-OD1 3.41Å; K569-N606 PolarHBondContact NZ-OD1 3.04Å; D601-N606 WeakPolarHBondContact CB-O 3.47Å; D601-N606 PolarHBondContact N-O 2.9Å; D601-N606 PolarHBondContact O-N 2.76Å; C604-N606 HydrophobicContact CB-CB 4.27Å; C604-N606 PolarHBondContact O-N 2.84Å |
| 607 | W | 92 | Very high | 83.5 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 17% | 0.17 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.4 | 165.4 | -63.5 | 84 | 0 | 0 | 0 | 110.6 | Q566 L570 Q573 A598 W600 L609 | Q566-W607 HydrophobicContact CB-CZ2 4.14Å; Q566-W607 PolarHBondContact O-NE1 2.6Å; L570-W607 HydrophobicContact CB-CD2 4.06Å; L570-W607 HydrophobicContact CB-CG 3.98Å; L570-W607 HydrophobicContact CB-CZ2 4.38Å; L570-W607 HydrophobicContact CD1-CB 3.88Å; L570-W607 HydrophobicContact CD1-CD2 3.76Å; L570-W607 HydrophobicContact CD1-CE3 4.08Å; L570-W607 HydrophobicContact CD1-CG 3.66Å; L570-W607 HydrophobicContact CD2-CD2 4.4Å; L570-W607 HydrophobicContact CD2-CH2 4.48Å; L570-W607 HydrophobicContact CD2-CZ2 4.36Å; L570-W607 HydrophobicContact CG-CD2 4.29Å; L570-W607 HydrophobicContact CG-CG 4.37Å; Q573-W607 PolarHBondContact NE2-O 3.3Å; A598-W607 HydrophobicContact CB-CE3 3.84Å; A598-W607 HydrophobicContact CB-CZ3 4.35Å; W600-W607 HydrophobicContact CB-CD2 4.29Å; W600-W607 HydrophobicContact CB-CE3 4.08Å; W600-W607 HydrophobicContact CB-CH2 4.11Å; W600-W607 HydrophobicContact CB-CZ2 4.3Å; W600-W607 HydrophobicContact CB-CZ3 3.99Å; W600-W607 AromaticContact CE3-CD1 3.6Å; W600-W607 AromaticContact CE3-CD2 3.94Å; W600-W607 HydrophobicContact CE3-CD2 3.94Å; W600-W607 AromaticContact CE3-CE2 3.62Å; W600-W607 AromaticContact CE3-CG 3.94Å; W600-W607 HydrophobicContact CE3-CG 3.94Å; W600-W607 HydrophobicContact CE3-CZ2 4.28Å; W600-W607 AromaticContact CE3-NE1 3.34Å; W600-W607 VanDerWaalsContact CE3-NE1 3.34Å; W600-W607 AromaticContact CZ3-CD1 3.74Å; W600-W607 HydrophobicContact CZ3-CG 4.45Å; W600-W607 AromaticContact CZ3-NE1 3.6Å; W607-L609 PolarHBondContact O-N 3.47Å |
| 608 | N | 90.4 | Very high | 82.4 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 99.1 | 167.2 | -67.9 | -21.4 | 0 | 0 | 0 | 107.7 | V599 | V599-N608 PolarHBondContact N-O 3.19Å; V599-N608 PolarHBondContact O-N 3.02Å |
| 609 | L | 89.4 | Confident | 80.9 | Confident | 33 Ų | 33 | 96.7 Ų | 96.7 | 17% | 0.173 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 145.3 | 177 | -67.1 | 177.3 | 0 | 0 | 0 | 110.9 | L570 Q573 L574 K577 Y588 V594 A598 W607 | L570-L609 HydrophobicContact CD1-CD2 3.66Å; Q573-L609 HydrophobicContact CB-CD1 3.67Å; L574-L609 HydrophobicContact CD2-CD1 4.25Å; L574-L609 HydrophobicContact CD2-CD2 3.88Å; L574-L609 HydrophobicContact CG-CD2 4.32Å; K577-L609 HydrophobicContact CG-CD1 3.99Å; Y588-L609 WeakPolarHBondContact OH-CB 3.24Å; V594-L609 HydrophobicContact CG1-CD2 4.32Å; A598-L609 HydrophobicContact CB-CD2 3.86Å; W607-L609 PolarHBondContact O-N 3.47Å |
| 610 | P | 86 | Confident | 79.4 | Confident | 35 Ų | 35 | 98 Ų | 98 | 23% | 0.227 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 146.1 | 169 | -24 | 31.4 | 0 | 0 | 0 | 112.4 | Y588 V594 A597 | Y588-P610 WeakPolarHBondContact CE2-O 3.49Å; Y588-P610 PolarHBondContact OH-O 3.17Å; V594-P610 HydrophobicContact CG1-CG 4.25Å; A597-P610 HydrophobicContact CB-CG 3.56Å |
| 611 | E | 83 | Confident | 78 | Confident | 172 Ų | 172 | 104.1 Ų | 104.1 | 80% | 0.804 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -66 | 151.2 | 174.6 | -65.7 | -172.8 | 169.1 | 0 | 0 | 111.9 | N587 I613 | N587-E611 PolarHBondContact ND2-O 3Å; E611-I613 PolarHBondContact O-N 2.84Å |
| 612 | V | 79.9 | Confident | 76 | Confident | 55 Ų | 55 | 108.7 Ų | 108.7 | 33% | 0.333 | 58% | 0.575 | S | S | . | * | trans | -77 | 115.3 | 178 | -179 | 0 | 0 | 0 | 0 | 109 | C586 Y588 I614 | C586-V612 HydrophobicContact CB-CG1 4.32Å; Y588-V612 HydrophobicContact CD2-CB 4.21Å; Y588-V612 HydrophobicContact CD2-CG1 4.34Å; Y588-V612 HydrophobicContact CD2-CG2 3.7Å; Y588-V612 HydrophobicContact CE2-CB 4.16Å; Y588-V612 HydrophobicContact CE2-CG2 3.45Å; Y588-V612 VanDerWaalsContact CE2-CG2 3.45Å; V612-I614 HydrophobicContact CG1-CG1 4.33Å | ||
| 613 | I | 78.3 | Confident | 74.1 | Confident | 109 Ų | 109 | 109.2 Ų | 109.2 | 56% | 0.559 | 58% | 0.58 | S | S | * | * | trans | -104.8 | 117.8 | 175 | -55.8 | 172.8 | 0 | 0 | 0 | 107.8 | C586 N587 E611 | C586-I613 WeakPolarHBondContact CA-O 3.38Å; C586-I613 VanDerWaalsContact CB-O 3.32Å; C586-I613 WeakPolarHBondContact CB-O 3.37Å; N587-I613 HydrophobicContact CB-CB 4.46Å; N587-I613 PolarHBondContact N-O 3.29Å; N587-I613 VanDerWaalsContact N-O 3.08Å; N587-I613 PolarHBondContact OD1-N 3.42Å; N587-I613 PolarHBondContact OD1-O 2.62Å; E611-I613 PolarHBondContact O-N 2.84Å | ||
| 614 | I | 74.2 | Confident | 72.2 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 41% | 0.41 | 57% | 0.572 | S | S | . | * | B | Isolated β-bridge | trans | -94.9 | 111.8 | 175.6 | -58.5 | 169.5 | 0 | 0 | 0 | 108.6 | R584 C586 V612 K616 | R584-I614 HydrophobicContact CB-CG2 4.31Å; C586-I614 HydrophobicContact CB-CG1 4.41Å; V612-I614 HydrophobicContact CG1-CG1 4.33Å; I614-K616 PolarHBondContact O-N 2.89Å |
| 615 | T | 69.5 | Low | 69.7 | Low | 84 Ų | 84 | 107.4 Ų | 107.4 | 52% | 0.515 | 58% | 0.579 | S | S | . | * | trans | -78.1 | 103 | 171 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | D585 T617 | D585-T615 WeakPolarHBondContact CB-OG1 3.25Å; D585-T615 PolarHBondContact O-N 3.38Å; D585-T615 PolarHBondContact O-OG1 2.94Å; T615-T617 PolarHBondContact O-N 2.87Å | ||
| 616 | K | 65.3 | Low | 67.5 | Low | 182 Ų | 182 | 107.1 Ų | 107.1 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | trans | -71.7 | 97.5 | 169.2 | -68.4 | -177.4 | -179.1 | 177.8 | 0 | 108.6 | I614 K618 | I614-K616 PolarHBondContact O-N 2.89Å; K616-K618 VanDerWaalsContact C-N 3.35Å; K616-K618 PolarHBondContact O-N 2.86Å | ||
| 617 | T | 59.5 | Low | 65.3 | Low | 108 Ų | 108 | 110 Ų | 110 | 66% | 0.663 | 60% | 0.596 | S | S | * | * | trans | -61.8 | 98.2 | 162.4 | 26.5 | 0 | 0 | 0 | 0 | 107.8 | D585 T615 L619 | D585-T617 PolarHBondContact OD2-OG1 3.19Å; T615-T617 PolarHBondContact O-N 2.87Å; T617-L619 PolarHBondContact O-N 3.26Å | ||
| 618 | K | 62.7 | Low | 62.9 | Low | 193 Ų | 193 | 112.9 Ų | 112.9 | 84% | 0.839 | 62% | 0.622 | S | S | * | * | trans | -67.9 | 112.6 | 165.6 | -72.5 | -178.7 | -179.6 | 174.7 | 0 | 105.7 | K616 | K616-K618 VanDerWaalsContact C-N 3.35Å; K616-K618 PolarHBondContact O-N 2.86Å | ||
| 619 | L | 58.8 | Low | 60.7 | Low | 159 Ų | 159 | 112 Ų | 112 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -46 | 132.7 | 161.8 | -86.4 | 148.1 | 0 | 0 | 0 | 107.4 | T617 K621 | T617-L619 PolarHBondContact O-N 3.26Å; L619-K621 PolarHBondContact O-N 2.91Å |
| 620 | P | 58.7 | Low | 58.3 | Low | 117 Ų | 117 | 115.1 Ų | 115.1 | 76% | 0.76 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 126.1 | 174.3 | 20.6 | -29.2 | 0 | 0 | 0 | 106.7 | T622 | P620-T622 PolarHBondContact O-N 3.03Å; P620-T622 VanDerWaalsContact O-N 3.1Å |
| 621 | K | 58.8 | Low | 56.1 | Low | 199 Ų | 199 | 116.3 Ų | 116.3 | 87% | 0.865 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 126.9 | 169.1 | -67.3 | -178.7 | 178.2 | -177.2 | 0 | 104.9 | L619 A623 | L619-K621 PolarHBondContact O-N 2.91Å; K621-A623 PolarHBondContact O-N 2.92Å |
| 622 | T | 46.7 | Very low | 54.1 | Low | 133 Ų | 133 | 115.1 Ų | 115.1 | 82% | 0.816 | 66% | 0.655 | S | S | * | * | trans | -41.2 | 119 | 166.8 | -47.2 | 0 | 0 | 0 | 0 | 104.9 | P620 S624 | P620-T622 PolarHBondContact O-N 3.03Å; P620-T622 VanDerWaalsContact O-N 3.1Å; T622-S624 PolarHBondContact O-N 2.95Å | ||
| 623 | A | 48.6 | Very low | 52.4 | Low | 81 Ų | 81 | 121.2 Ų | 121.2 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | trans | -52.9 | 109.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 103.2 | K621 C625 | K621-A623 PolarHBondContact O-N 2.92Å; A623-C625 PolarHBondContact O-N 3.39Å | ||
| 624 | S | 46.3 | Very low | 50.4 | Low | 98 Ų | 98 | 121.2 Ų | 121.2 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | trans | -60.4 | 92.9 | 158.6 | 50.6 | 0 | 0 | 0 | 0 | 101.2 | T622 N626 | T622-S624 PolarHBondContact O-N 2.95Å; S624-N626 PolarHBondContact O-N 3.06Å | ||
| 625 | C | 37.1 | Very low | 48.6 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 66% | 0.655 | 70% | 0.697 | S | S | * | * | trans | -42.6 | 120 | 154.2 | -75 | 0 | 0 | 0 | 0 | 102.8 | A623 L627 | A623-C625 PolarHBondContact O-N 3.39Å; C625-L627 HydrophobicContact CB-CD1 4.3Å; C625-L627 HydrophobicContact CB-CG 4.48Å; C625-L627 PolarHBondContact O-N 2.86Å | ||
| 626 | N | 41.7 | Very low | 47.2 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | trans | -65.6 | 67.6 | 173.7 | -78.3 | -21.3 | 0 | 0 | 0 | 107.4 | S624 C628 A629 | S624-N626 PolarHBondContact O-N 3.06Å; N626-C628 PolarHBondContact O-N 2.77Å; N626-A629 HydrophobicContact CB-CB 3.9Å; N626-A629 PolarHBondContact O-N 3.21Å | ||
| 627 | L | 44.2 | Very low | 46.1 | Very low | 120 Ų | 120 | 127 Ų | 127 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -67 | -18.1 | 165.8 | -90 | 152.9 | 0 | 0 | 0 | 109.5 | C625 L630 A631 | C625-L627 HydrophobicContact CB-CD1 4.3Å; C625-L627 HydrophobicContact CB-CG 4.48Å; C625-L627 PolarHBondContact O-N 2.86Å; L627-L630 PolarHBondContact O-N 3.43Å; L627-A631 WeakPolarHBondContact O-CB 3.35Å; L627-A631 PolarHBondContact O-N 3.36Å |
| 628 | C | 42.2 | Very low | 45.5 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 72% | 0.716 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -72.2 | -23.2 | 166.5 | -76.5 | 0 | 0 | 0 | 0 | 114 | N626 L630 | N626-C628 PolarHBondContact O-N 2.77Å; C628-L630 VanDerWaalsContact C-N 3.3Å |
| 629 | A | 42.8 | Very low | 44.4 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 57% | 0.57 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -79 | -18.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N626 | N626-A629 HydrophobicContact CB-CB 3.9Å; N626-A629 PolarHBondContact O-N 3.21Å |
| 630 | L | 39.3 | Very low | 43.7 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 52% | 0.524 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -88.8 | -27.8 | 173.2 | -139.1 | 91.3 | 0 | 0 | 0 | 112.5 | L627 C628 D632 F633 I634 | L627-L630 PolarHBondContact O-N 3.43Å; C628-L630 VanDerWaalsContact C-N 3.3Å; L630-D632 VanDerWaalsContact C-N 3.28Å; L630-D632 PolarHBondContact O-N 2.82Å; L630-F633 PolarHBondContact O-N 3.38Å; L630-I634 HydrophobicContact CD2-CD1 4.07Å; L630-I634 PolarHBondContact O-N 3.24Å |
| 631 | A | 40.7 | Very low | 42.8 | Very low | 59 Ų | 59 | 129.4 Ų | 129.4 | 49% | 0.488 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -66.6 | -27.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L627 F633 | L627-A631 WeakPolarHBondContact O-CB 3.35Å; L627-A631 PolarHBondContact O-N 3.36Å; A631-F633 PolarHBondContact O-N 2.81Å |
| 632 | D | 40.9 | Very low | 42.1 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -11.6 | 171.8 | -73.6 | -17.3 | 0 | 0 | 0 | 113 | L630 | L630-D632 VanDerWaalsContact C-N 3.28Å; L630-D632 PolarHBondContact O-N 2.82Å |
| 633 | F | 43.5 | Very low | 41.9 | Very low | 182 Ų | 182 | 120.8 Ų | 120.8 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -4.7 | -176 | -130.3 | -90.6 | 0 | 0 | 0 | 115.1 | L630 A631 | L630-F633 PolarHBondContact O-N 3.38Å; A631-F633 PolarHBondContact O-N 2.81Å |
| 634 | I | 36.8 | Very low | 41.4 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | trans | -135.4 | 69.3 | -177.3 | -47.8 | 179.6 | 0 | 0 | 0 | 109.8 | L630 D636 | L630-I634 HydrophobicContact CD2-CD1 4.07Å; L630-I634 PolarHBondContact O-N 3.24Å; I634-D636 PolarHBondContact O-N 2.87Å | ||
| 635 | N | 37 | Very low | 41.2 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 83% | 0.829 | 67% | 0.669 | S | S | * | * | trans | -81 | 78.4 | 147.5 | -86 | -33.1 | 0 | 0 | 0 | 107.3 | ||||
| 636 | D | 38.8 | Very low | 41.2 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | trans | -135.7 | 117.5 | 157.2 | -87.5 | -39.8 | 0 | 0 | 0 | 108.8 | I634 E638 | I634-D636 PolarHBondContact O-N 2.87Å; D636-E638 PolarHBondContact O-N 3.43Å | ||
| 637 | N | 44 | Very low | 40.9 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 89% | 0.893 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -62.8 | 88 | -174.6 | -75.1 | -46.4 | 0 | 0 | 0 | 111.3 | ||
| 638 | E | 46.7 | Very low | 40.7 | Very low | 174 Ų | 174 | 125.3 Ų | 125.3 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | trans | -158.3 | 9.1 | 158.3 | -119.8 | 172.8 | -160.7 | 0 | 0 | 119 | D636 | D636-E638 PolarHBondContact O-N 3.43Š| ||
| 639 | F | 38.7 | Very low | 40.4 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | trans | -124.3 | 23.8 | -178.6 | -99.3 | -76.9 | 0 | 0 | 0 | 117.3 | F641 I642 | F639-F641 PolarHBondContact O-N 2.72Å; F639-I642 HydrophobicContact CD1-CB 4.49Å; F639-I642 HydrophobicContact CD1-CD1 3.49Å; F639-I642 VanDerWaalsContact CD1-CD1 3.49Å; F639-I642 HydrophobicContact CD1-CG1 3.79Å; F639-I642 HydrophobicContact CE1-CD1 3.38Å; F639-I642 HydrophobicContact CE1-CG1 3.98Å; F639-I642 PolarHBondContact O-N 2.79Å | ||
| 640 | T | 43.5 | Very low | 39.9 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60.6 | -8.1 | 171.9 | 36.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 641 | F | 40.6 | Very low | 39.4 | Very low | 178 Ų | 178 | 125.8 Ų | 125.8 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77.9 | -34.9 | 177.9 | -161.6 | -100.4 | 0 | 0 | 0 | 113.8 | F639 | F639-F641 PolarHBondContact O-N 2.72Å |
| 642 | I | 43.4 | Very low | 38.9 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 49% | 0.487 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -77.1 | -35.1 | -175 | -65.9 | -176.7 | 0 | 0 | 0 | 112.1 | F639 N644 S645 L646 | F639-I642 HydrophobicContact CD1-CB 4.49Å; F639-I642 HydrophobicContact CD1-CD1 3.49Å; F639-I642 VanDerWaalsContact CD1-CD1 3.49Å; F639-I642 HydrophobicContact CD1-CG1 3.79Å; F639-I642 HydrophobicContact CE1-CD1 3.38Å; F639-I642 HydrophobicContact CE1-CG1 3.98Å; F639-I642 PolarHBondContact O-N 2.79Å; I642-N644 VanDerWaalsContact C-N 3.28Å; I642-N644 PolarHBondContact O-N 2.83Å; I642-S645 PolarHBondContact O-N 3.19Å; I642-L646 HydrophobicContact CG2-CD1 4.42Å |
| 643 | A | 43.3 | Very low | 38.3 | Very low | 55 Ų | 55 | 131.4 Ų | 131.4 | 46% | 0.455 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -66 | -29.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 644 | N | 38.3 | Very low | 37.5 | Very low | 119 Ų | 119 | 132 Ų | 132 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -78.2 | -28.8 | 179.7 | -79.1 | -15 | 0 | 0 | 0 | 113 | I642 | I642-N644 VanDerWaalsContact C-N 3.28Å; I642-N644 PolarHBondContact O-N 2.83Å |
| 645 | S | 41.8 | Very low | 37 | Very low | 83 Ų | 83 | 134 Ų | 134 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -72.1 | -28.1 | 177.1 | -118.3 | 0 | 0 | 0 | 0 | 113.3 | I642 S648 | I642-S645 PolarHBondContact O-N 3.19Å; S645-S648 PolarHBondContact O-OG 3.4Å; S645-S648 VanDerWaalsContact O-OG 3.12Å |
| 646 | L | 38 | Very low | 36.5 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -80.7 | -27.9 | 178.5 | -76.7 | 164.4 | 0 | 0 | 0 | 112.7 | I642 S648 A649 | I642-L646 HydrophobicContact CG2-CD1 4.42Å; L646-S648 VanDerWaalsContact C-N 3.34Å; L646-A649 PolarHBondContact O-N 3.42Å |
| 647 | R | 35.5 | Very low | 35.9 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -76.1 | -22.3 | -178.4 | -150.8 | 177.6 | -71.1 | -112.6 | 3.6 | 112.9 | ||
| 648 | S | 38.6 | Very low | 34.9 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -12.1 | 174.5 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | S645 L646 | S645-S648 PolarHBondContact O-OG 3.4Å; S645-S648 VanDerWaalsContact O-OG 3.12Å; L646-S648 VanDerWaalsContact C-N 3.34Å |
| 649 | A | 35.8 | Very low | 34 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -94 | -10.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L646 | L646-A649 PolarHBondContact O-N 3.42Š|
| 650 | S | 32.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -110.6 | 10.3 | -173 | 67.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 651 | S | 29.3 | Very low | 32.3 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -91.2 | 13.5 | 177.4 | 76.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 652 | S | 29.9 | Very low | 31.4 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | trans | -127.9 | 93.5 | 177.6 | 63 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 653 | R | 27.7 | Very low | 30.5 | Very low | 234 Ų | 234 | 138.9 Ų | 138.9 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | 161.8 | 66.8 | 151.5 | -88.8 | 165.9 | -173.7 | -160 | 3.2 | 109.8 | ||||
| 654 | Q | 26.8 | Very low | 29.4 | Very low | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -116.4 | 75.6 | 150.6 | -94.9 | 176.4 | -17.3 | 0 | 0 | 105.6 | Q656 | Q654-Q656 PolarHBondContact O-N 3.17Š| ||
| 655 | D | 28 | Very low | 28.6 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | -75.1 | 107.4 | 167.7 | -79.6 | -32.7 | 0 | 0 | 0 | 107.8 | M657 | D655-M657 PolarHBondContact O-N 2.88Š| ||
| 656 | Q | 25.1 | Very low | 27.7 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 110.2 | 162.1 | -68 | 173.5 | -19.1 | 0 | 0 | 108.6 | Q654 F658 | Q654-Q656 PolarHBondContact O-N 3.17Å; Q656-F658 HydrophobicContact CB-CD2 3.95Å; Q656-F658 HydrophobicContact CB-CE2 4.22Å; Q656-F658 HydrophobicContact CG-CE2 4.33Å | ||
| 657 | M | 26.1 | Very low | 27.1 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | -96 | 85.9 | 155.9 | -86.3 | -171.2 | 160.6 | 0 | 0 | 108.4 | D655 | D655-M657 PolarHBondContact O-N 2.88Š| ||
| 658 | F | 22.5 | Very low | 26.7 | Very low | 153 Ų | 153 | 140 Ų | 140 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | -63.6 | 121.1 | 154.4 | -84.7 | -90.3 | 0 | 0 | 0 | 108.6 | Q656 | Q656-F658 HydrophobicContact CB-CD2 3.95Å; Q656-F658 HydrophobicContact CB-CE2 4.22Å; Q656-F658 HydrophobicContact CG-CE2 4.33Å | ||
| 659 | L | 29.2 | Very low | 26.4 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -134.6 | 75.9 | 156.7 | -84.9 | 169.6 | 0 | 0 | 0 | 108.3 | G661 | L659-G661 PolarHBondContact O-N 2.76Š| ||
| 660 | N | 23 | Very low | 26 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 99.4 | 146.1 | -75.4 | -12.6 | 0 | 0 | 0 | 105.8 | ||||
| 661 | G | 23.7 | Very low | 25.9 | Very low | 58 Ų | 58 | 142.3 Ų | 142.3 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | trans | -112.1 | 95.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L659 Y663 | L659-G661 PolarHBondContact O-N 2.76Å; G661-Y663 PolarHBondContact O-N 3.4Å | ||
| 662 | E | 21.1 | Very low | 25.9 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -56 | 113.4 | 161.5 | -68.5 | 175.6 | 150.7 | 0 | 0 | 108.5 | ||||
| 663 | Y | 24.1 | Very low | 26.1 | Very low | 235 Ų | 235 | 146.7 Ų | 146.7 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | trans | -106.2 | 94.5 | 158.6 | -99.5 | -84.8 | 0 | 0 | 0 | 107.9 | G661 | G661-Y663 PolarHBondContact O-N 3.4Š| ||
| 664 | S | 19.7 | Very low | 26.2 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -78.7 | 155.2 | 160.5 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 665 | S | 22 | Very low | 26.4 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | 73.7 | 118.2 | 163 | 58.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 666 | D | 22.5 | Very low | 26.5 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 80.1 | 95.7 | 133.9 | -57.7 | -13.9 | 0 | 0 | 0 | 119.7 | ||||
| 667 | S | 26.4 | Very low | 26.7 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 175 | 130.4 | 110.5 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 668 | D | 26.1 | Very low | 26.6 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 99.7 | 147.3 | -70.5 | -13.4 | 0 | 0 | 0 | 121.8 | G670 | D668-G670 PolarHBondContact O-N 3.44Å; D668-G670 VanDerWaalsContact O-N 3.16Å | ||
| 669 | S | 32.7 | Very low | 26.8 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | 20.1 | 83.7 | 118.3 | 60 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 670 | G | 28.7 | Very low | 26.7 | Very low | 59 Ų | 59 | 144.3 Ų | 144.3 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | -143.5 | -23.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D668 | D668-G670 PolarHBondContact O-N 3.44Å; D668-G670 VanDerWaalsContact O-N 3.16Å | ||
| 671 | D | 29.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -103.2 | 9.8 | -164.9 | -82.8 | -20.2 | 0 | 0 | 0 | 116.3 | I673 | D671-I673 VanDerWaalsContact C-N 3.31Å; D671-I673 PolarHBondContact O-N 2.74Å |
| 672 | E | 30.1 | Very low | 26.7 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -81.1 | -5.9 | 177.9 | -161.1 | 54.8 | -143.8 | 0 | 0 | 113.7 | ||
| 673 | I | 32.5 | Very low | 26.8 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -90.5 | -19 | 178.6 | -61 | -178.2 | 0 | 0 | 0 | 112.5 | D671 | D671-I673 VanDerWaalsContact C-N 3.31Å; D671-I673 PolarHBondContact O-N 2.74Å |
| 674 | L | 30 | Very low | 26.9 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -97.3 | -0.4 | -174.3 | -72.3 | 172.9 | 0 | 0 | 0 | 115.2 | ||
| 675 | R | 30.6 | Very low | 27.1 | Very low | 220 Ų | 220 | 143.5 Ų | 143.5 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -101.1 | -3.6 | 175.2 | -86.9 | -172.5 | 165 | -163.7 | -2.1 | 116 | ||
| 676 | Q | 29.9 | Very low | 27.2 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 7 | 175.7 | -75.9 | -160.6 | -0.9 | 0 | 0 | 115.6 | ||
| 677 | V | 29.8 | Very low | 27.3 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 20.1 | -176.4 | -161 | 0 | 0 | 0 | 0 | 113.9 | ||
| 678 | W | 25.1 | Very low | 27.1 | Very low | 221 Ų | 221 | 150.2 Ų | 150.2 | 84% | 0.837 | 78% | 0.782 | S | S | * | * | trans | -138.7 | 65.3 | 178.9 | -150.7 | -82.4 | 0 | 0 | 0 | 115.5 | ||||
| 679 | P | 26.2 | Very low | 27.2 | Very low | 103 Ų | 103 | 152.6 Ų | 152.6 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -149.2 | 96.9 | 130.6 | 33.8 | -14.3 | 0 | 0 | 0 | 112.8 | ||||
| 680 | F | 26.3 | Very low | 26.8 | Very low | 207 Ų | 207 | 153.9 Ų | 153.9 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -152.5 | 70.3 | 152.5 | -98.5 | -75.5 | 0 | 0 | 0 | 109 | ||||
| 681 | F | 22.8 | Very low | 26.7 | Very low | 196 Ų | 196 | 158.7 Ų | 158.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -128.2 | 69.9 | 166.7 | -129.3 | -84.9 | 0 | 0 | 0 | 108.7 | ||||
| 682 | C | 23.9 | Very low | 26.5 | Very low | 124 Ų | 124 | 156.8 Ų | 156.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -159.5 | 119.8 | 159.5 | -113.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 683 | S | 23.6 | Very low | 26.3 | Very low | 103 Ų | 103 | 155.7 Ų | 155.7 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 94.8 | 117.5 | 147.6 | -148.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 684 | T | 25.9 | Very low | 26.1 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | 84.2 | 109 | 134.9 | 33.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 685 | K | 24.3 | Very low | 26 | Very low | 185 Ų | 185 | 158.4 Ų | 158.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 63.7 | 124.4 | 120.7 | -78.4 | -176.4 | 177.3 | 178 | 0 | 120.4 | |||||
| 686 | L | 24.3 | Very low | 26.4 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | 56 | 105 | 143.6 | -88.3 | 86.3 | 0 | 0 | 0 | 118.1 | ||||
| 687 | G | 25.4 | Very low | 26.6 | Very low | 74 Ų | 74 | 153.7 Ų | 153.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -164.9 | 88.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111 | K689 | G687-K689 PolarHBondContact O-N 3.25Š| ||
| 688 | R | 21.7 | Very low | 27 | Very low | 258 Ų | 258 | 155 Ų | 155 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | -56.5 | 106.5 | 164.3 | -86.9 | 178.9 | 170.9 | 176.8 | -3 | 108.1 | ||||
| 689 | K | 27.6 | Very low | 28.1 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -129.7 | 126.2 | 158.5 | -87.8 | -173.6 | 177.4 | 177.7 | 0 | 109.1 | G687 L691 | G687-K689 PolarHBondContact O-N 3.25Å; K689-L691 PolarHBondContact O-N 2.88Å | ||
| 690 | V | 25.4 | Very low | 29 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -41.4 | 112.5 | 179.3 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | S692 | V690-S692 PolarHBondContact O-N 3.1Š| ||
| 691 | L | 25.4 | Very low | 30 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -75.6 | 101.9 | 173.7 | -74.5 | 162.9 | 0 | 0 | 0 | 108.1 | K689 | K689-L691 PolarHBondContact O-N 2.88Š| ||
| 692 | S | 25 | Very low | 31.3 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -63.1 | 141.6 | 153.8 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | V690 K694 | V690-S692 PolarHBondContact O-N 3.1Å; S692-K694 PolarHBondContact O-N 3.21Å | ||
| 693 | P | 27.5 | Very low | 32.6 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | -70.3 | 106.5 | -172.7 | 8.6 | 1.6 | 0 | 0 | 0 | 108.7 | I695 | P693-I695 PolarHBondContact O-N 3.43Š| ||
| 694 | K | 26.6 | Very low | 33.6 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | trans | -61.4 | 108.9 | 163.7 | -75 | -178.3 | 177.1 | 179.2 | 0 | 106.5 | S692 F696 | S692-K694 PolarHBondContact O-N 3.21Å; K694-F696 WeakPolarHBondContact O-CD2 3.44Å; K694-F696 PolarHBondContact O-N 3.49Å | ||
| 695 | I | 29.7 | Very low | 34.7 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | trans | -55 | 105 | 167.1 | -63.6 | 167.1 | 0 | 0 | 0 | 105.7 | P693 A697 | P693-I695 PolarHBondContact O-N 3.43Å; I695-A697 PolarHBondContact O-N 3.44Å | ||
| 696 | F | 37.4 | Very low | 35.8 | Very low | 186 Ų | 186 | 123.8 Ų | 123.8 | 82% | 0.816 | 67% | 0.67 | S | S | * | * | trans | -58.3 | 126.6 | -179.7 | -84 | -95.4 | 0 | 0 | 0 | 108.8 | K694 K698 | K694-F696 WeakPolarHBondContact O-CD2 3.44Å; K694-F696 PolarHBondContact O-N 3.49Å; F696-K698 PolarHBondContact O-N 2.92Å | ||
| 697 | A | 34 | Very low | 37 | Very low | 102 Ų | 102 | 120 Ų | 120 | 84% | 0.843 | 65% | 0.654 | S | S | * | * | trans | -61.2 | 110.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108 | I695 | I695-A697 PolarHBondContact O-N 3.44Š| ||
| 698 | K | 39.4 | Very low | 37.8 | Very low | 153 Ų | 153 | 126 Ų | 126 | 67% | 0.665 | 66% | 0.655 | S | S | * | * | trans | -57.4 | 139.9 | 172.8 | -72.6 | -172.3 | 179.4 | -178.6 | 0 | 109.2 | F696 E702 | F696-K698 PolarHBondContact O-N 2.92Å; K698-E702 VanDerWaalsContact CA-OE2 3.28Å; K698-E702 WeakPolarHBondContact CA-OE2 3.45Å; K698-E702 HydrophobicContact CB-CB 3.91Å; K698-E702 WeakPolarHBondContact CB-OE2 3.4Å; K698-E702 HydrophobicContact CD-CB 4.46Å; K698-E702 WeakPolarHBondContact CG-OE2 3.34Å | ||
| 699 | S | 48.7 | Very low | 38.8 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 42% | 0.42 | 62% | 0.622 | S | S | . | * | trans | -56.8 | 152 | 179.6 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | A701 E702 N703 | S699-A701 PolarHBondContact O-N 3Å; S699-A701 VanDerWaalsContact O-N 3.08Å; S699-E702 PolarHBondContact N-OE2 3.49Å; S699-E702 WeakPolarHBondContact O-CA 3.39Å; S699-E702 WeakPolarHBondContact O-CB 3.44Å; S699-E702 PolarHBondContact O-N 2.67Å; S699-N703 PolarHBondContact O-N 3.04Å; S699-N703 VanDerWaalsContact O-N 3.07Å | ||
| 700 | E | 44 | Very low | 39.6 | Very low | 164 Ų | 164 | 114.7 Ų | 114.7 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53.9 | -33.6 | -177.7 | -161.4 | 171.5 | -167.1 | 0 | 0 | 112.6 | N703 I704 | E700-N703 WeakPolarHBondContact O-CA 3.22Å; E700-N703 WeakPolarHBondContact O-CB 3.32Å; E700-N703 PolarHBondContact O-N 3.4Å; E700-N703 VanDerWaalsContact O-N 3.13Å; E700-I704 WeakPolarHBondContact O-CG1 3.3Å; E700-I704 PolarHBondContact O-N 3.42Å |
| 701 | A | 47.9 | Very low | 40.3 | Very low | 47 Ų | 47 | 110.5 Ų | 110.5 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.9 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | S699 N703 I704 A705 | S699-A701 PolarHBondContact O-N 3Å; S699-A701 VanDerWaalsContact O-N 3.08Å; A701-N703 PolarHBondContact O-N 3.26Å; A701-I704 PolarHBondContact O-N 3.47Å; A701-A705 PolarHBondContact O-N 3.48Å |
| 702 | E | 50.7 | Low | 41 | Very low | 59 Ų | 59 | 110.7 Ų | 110.7 | 28% | 0.276 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -28.9 | 170.9 | -74.6 | -177.1 | 140.5 | 0 | 0 | 111.4 | K698 S699 G706 | K698-E702 VanDerWaalsContact CA-OE2 3.28Å; K698-E702 WeakPolarHBondContact CA-OE2 3.45Å; K698-E702 HydrophobicContact CB-CB 3.91Å; K698-E702 WeakPolarHBondContact CB-OE2 3.4Å; K698-E702 HydrophobicContact CD-CB 4.46Å; K698-E702 WeakPolarHBondContact CG-OE2 3.34Å; S699-E702 PolarHBondContact N-OE2 3.49Å; S699-E702 WeakPolarHBondContact O-CA 3.39Å; S699-E702 WeakPolarHBondContact O-CB 3.44Å; S699-E702 PolarHBondContact O-N 2.67Å; E702-G706 PolarHBondContact O-N 2.78Å |
| 703 | N | 51 | Low | 41.5 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.6 | -38.3 | 176.1 | -136 | 5.2 | 0 | 0 | 0 | 111.6 | S699 E700 A701 G706 T707 | S699-N703 PolarHBondContact O-N 3.04Å; S699-N703 VanDerWaalsContact O-N 3.07Å; E700-N703 WeakPolarHBondContact O-CA 3.22Å; E700-N703 WeakPolarHBondContact O-CB 3.32Å; E700-N703 PolarHBondContact O-N 3.4Å; E700-N703 VanDerWaalsContact O-N 3.13Å; A701-N703 PolarHBondContact O-N 3.26Å; N703-G706 CarbonylContact O-C 3.29Å; N703-G706 PolarHBondContact O-N 3.35Å; N703-T707 PolarHBondContact O-N 2.7Å; N703-T707 PolarHBondContact O-OG1 2.88Å |
| 704 | I | 44.6 | Very low | 41.7 | Very low | 109 Ų | 109 | 118 Ų | 118 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.4 | -48.7 | 174.6 | -64.8 | 167.3 | 0 | 0 | 0 | 110.8 | E700 A701 G706 T707 Y708 | E700-I704 WeakPolarHBondContact O-CG1 3.3Å; E700-I704 PolarHBondContact O-N 3.42Å; A701-I704 PolarHBondContact O-N 3.47Å; I704-G706 VanDerWaalsContact C-N 3.3Å; I704-G706 PolarHBondContact O-N 3.1Å; I704-T707 WeakPolarHBondContact O-CB 3.35Å; I704-T707 PolarHBondContact O-N 2.87Å; I704-Y708 PolarHBondContact O-N 3.28Å |
| 705 | A | 48 | Very low | 42.2 | Very low | 13 Ų | 13 | 119.5 Ų | 119.5 | 11% | 0.107 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -60.3 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | I561 A701 T707 Y708 F709 | I561-A705 HydrophobicContact CD1-CB 4.21Å; A701-A705 PolarHBondContact O-N 3.48Å; A705-T707 PolarHBondContact O-N 2.88Å; A705-T707 VanDerWaalsContact O-N 3.17Å; A705-Y708 PolarHBondContact O-N 3.15Å; A705-F709 HydrophobicContact CB-CD2 4.41Å; A705-F709 WeakPolarHBondContact O-CD2 3.39Å; A705-F709 PolarHBondContact O-N 3.12Å; A705-F709 VanDerWaalsContact O-N 3.08Å |
| 706 | G | 47.1 | Very low | 42.3 | Very low | 39 Ų | 39 | 117.5 Ų | 117.5 | 40% | 0.402 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62 | -19.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E702 N703 I704 K710 | E702-G706 PolarHBondContact O-N 2.78Å; N703-G706 CarbonylContact O-C 3.29Å; N703-G706 PolarHBondContact O-N 3.35Å; I704-G706 VanDerWaalsContact C-N 3.3Å; I704-G706 PolarHBondContact O-N 3.1Å; G706-K710 WeakPolarHBondContact O-CG 3.39Å |
| 707 | T | 49.7 | Very low | 42.4 | Very low | 89 Ų | 89 | 115 Ų | 115 | 55% | 0.546 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -91.3 | -39 | 177.9 | -47 | 0 | 0 | 0 | 0 | 111.6 | N703 I704 A705 | N703-T707 PolarHBondContact O-N 2.7Å; N703-T707 PolarHBondContact O-OG1 2.88Å; I704-T707 WeakPolarHBondContact O-CB 3.35Å; I704-T707 PolarHBondContact O-N 2.87Å; A705-T707 PolarHBondContact O-N 2.88Å; A705-T707 VanDerWaalsContact O-N 3.17Å |
| 708 | Y | 43.4 | Very low | 42.1 | Very low | 200 Ų | 200 | 114.3 Ų | 114.3 | 78% | 0.784 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69 | -33 | 177.3 | -123 | -90.6 | 0 | 0 | 0 | 112.9 | I704 A705 | I704-Y708 PolarHBondContact O-N 3.28Å; A705-Y708 PolarHBondContact O-N 3.15Å |
| 709 | F | 41.5 | Very low | 41.7 | Very low | 63 Ų | 63 | 111.3 Ų | 111.3 | 28% | 0.276 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.3 | 28.3 | -174.9 | -62.7 | -69.5 | 0 | 0 | 0 | 113.6 | F550 Y557 A705 P711 | F550-F709 HydrophobicContact CE2-CD1 4.25Å; F550-F709 HydrophobicContact CZ-CB 3.86Å; F550-F709 HydrophobicContact CZ-CD1 4.2Å; F550-F709 VanDerWaalsContact CZ-O 3.32Å; F550-F709 WeakPolarHBondContact CZ-O 3.27Å; Y557-F709 HydrophobicContact CD2-CE1 4.07Å; Y557-F709 HydrophobicContact CD2-CE2 4.43Å; Y557-F709 AromaticContact CD2-CZ 3.78Å; Y557-F709 HydrophobicContact CD2-CZ 3.78Å; Y557-F709 HydrophobicContact CE2-CE1 4.11Å; Y557-F709 HydrophobicContact CE2-CZ 4.09Å; Y557-F709 HydrophobicContact CG-CZ 4.37Å; A705-F709 HydrophobicContact CB-CD2 4.41Å; A705-F709 WeakPolarHBondContact O-CD2 3.39Å; A705-F709 PolarHBondContact O-N 3.12Å; A705-F709 VanDerWaalsContact O-N 3.08Å; F709-P711 WeakPolarHBondContact O-CD 3.34Å |
| 710 | K | 44 | Very low | 40.8 | Very low | 152 Ų | 152 | 115.3 Ų | 115.3 | 66% | 0.661 | 60% | 0.6 | S | S | * | * | trans | -70.4 | 114.3 | 170 | -71.6 | -171.5 | 179.8 | 169 | 0 | 108.7 | G706 | G706-K710 WeakPolarHBondContact O-CG 3.39Š| ||
| 711 | P | 39.9 | Very low | 40 | Very low | 58 Ų | 58 | 114.2 Ų | 114.2 | 38% | 0.377 | 60% | 0.604 | S | S | . | * | trans | -61.1 | 144.6 | 168.1 | 23.7 | -27.7 | 0 | 0 | 0 | 108.9 | Y547 F550 F709 R713 | Y547-P711 HydrophobicContact CE1-CB 3.83Å; Y547-P711 HydrophobicContact CE1-CG 4.22Å; F550-P711 HydrophobicContact CE1-CB 4.49Å; F550-P711 HydrophobicContact CE1-CG 4.4Å; F709-P711 WeakPolarHBondContact O-CD 3.34Å; P711-R713 PolarHBondContact O-N 3.27Å | ||
| 712 | L | 40.6 | Very low | 39.1 | Very low | 165 Ų | 165 | 115.3 Ų | 115.3 | 86% | 0.864 | 62% | 0.62 | S | S | * | * | trans | -51.7 | 112 | 166.7 | -77.6 | 159.5 | 0 | 0 | 0 | 107.2 | Q714 | L712-Q714 PolarHBondContact O-N 3.06Š| ||
| 713 | R | 35.9 | Very low | 38.1 | Very low | 238 Ų | 238 | 121 Ų | 121 | 90% | 0.898 | 65% | 0.647 | S | S | * | * | trans | -55.2 | 128.8 | 174.8 | -83.3 | -175.6 | 175.9 | -177.8 | -1.5 | 107.9 | P711 R715 | P711-R713 PolarHBondContact O-N 3.27Å; R713-R715 PolarHBondContact O-N 2.9Å | ||
| 714 | Q | 32.2 | Very low | 37 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | trans | -49.9 | 114.4 | 164.1 | -87.6 | 176.1 | -32.2 | 0 | 0 | 107.7 | L712 N716 | L712-Q714 PolarHBondContact O-N 3.06Å; Q714-N716 PolarHBondContact O-N 3.1Å | ||
| 715 | R | 37 | Very low | 36.3 | Very low | 207 Ų | 207 | 125.6 Ų | 125.6 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | trans | -68.2 | 115.6 | 155.7 | -77.3 | -176.9 | 179.2 | 168.8 | -0.7 | 104.4 | R713 V717 | R713-R715 PolarHBondContact O-N 2.9Å; R715-V717 HydrophobicContact CB-CG2 3.86Å; R715-V717 PolarHBondContact O-N 2.85Å | ||
| 716 | N | 30.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | trans | -64 | 85.6 | 165.4 | -75.8 | -15.8 | 0 | 0 | 0 | 107.4 | Q714 A718 | Q714-N716 PolarHBondContact O-N 3.1Å; N716-A718 PolarHBondContact O-N 3.3Å; N716-A718 VanDerWaalsContact O-N 3.13Å | ||
| 717 | V | 39.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | trans | -86.1 | 59.4 | 170.9 | -169.6 | 0 | 0 | 0 | 0 | 107.3 | R715 | R715-V717 HydrophobicContact CB-CG2 3.86Å; R715-V717 PolarHBondContact O-N 2.85Å | ||
| 718 | A | 29.2 | Very low | 35.1 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 159.3 | 84.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N716 | N716-A718 PolarHBondContact O-N 3.3Å; N716-A718 VanDerWaalsContact O-N 3.13Å | ||
| 719 | S | 29.6 | Very low | 35.3 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | trans | -153.9 | 55.6 | 148.9 | 69.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 720 | T | 29.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | trans | -103.1 | 70.9 | 167.3 | 48.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 721 | T | 29 | Very low | 35.7 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 70% | 0.704 | S | S | * | * | trans | -122.4 | 101.3 | 157.2 | 48.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 722 | G | 28 | Very low | 35.9 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 126.2 | 90.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 723 | E | 28.6 | Very low | 36.3 | Very low | 180 Ų | 180 | 132 Ų | 132 | 84% | 0.841 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 57.2 | 112.9 | 143.5 | -57.8 | -168 | 153.4 | 0 | 0 | 121.3 | ||
| 724 | R | 29.5 | Very low | 36.8 | Very low | 239 Ų | 239 | 128.1 Ų | 128.1 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | trans | 57.7 | 75.7 | 153.8 | -61.7 | -170.6 | -134.9 | -159.7 | 3.2 | 117.6 | ||||
| 725 | G | 30.2 | Very low | 37.6 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | trans | -151.3 | 98.1 | 152 | 0 | 0 | 0 | 0 | 0 | 109.4 | S727 | G725-S727 PolarHBondContact O-N 2.93Š| ||
| 726 | Y | 32 | Very low | 37.6 | Very low | 216 Ų | 216 | 121.5 Ų | 121.5 | 85% | 0.847 | 68% | 0.682 | S | S | * | * | trans | -63 | 103.4 | 174 | -70.7 | -85.1 | 0 | 0 | 0 | 108.6 | T728 | Y726-T728 PolarHBondContact O-N 2.87Š| ||
| 727 | S | 41.2 | Very low | 37.9 | Very low | 69 Ų | 69 | 118.8 Ų | 118.8 | 48% | 0.483 | 67% | 0.67 | S | S | . | * | trans | -73.5 | 105.8 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | G725 T729 W730 | G725-S727 PolarHBondContact O-N 2.93Å; S727-T729 PolarHBondContact O-N 2.93Å; S727-T729 VanDerWaalsContact O-N 3.1Å; S727-T729 PolarHBondContact OG-OG1 2.85Å; S727-W730 PolarHBondContact O-N 3.23Å | ||
| 728 | T | 45.2 | Very low | 37.9 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 45% | 0.454 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -54.1 | -27 | 179.6 | 47.6 | 0 | 0 | 0 | 0 | 112.9 | Y726 W730 Q731 H732 | Y726-T728 PolarHBondContact O-N 2.87Å; T728-W730 VanDerWaalsContact C-N 3.29Å; T728-W730 PolarHBondContact O-N 2.76Å; T728-Q731 PolarHBondContact O-N 3.25Å; T728-H732 PolarHBondContact O-CD2 2.99Å; T728-H732 PolarHBondContact O-N 3.49Å; T728-H732 VanDerWaalsContact O-N 3.12Å |
| 729 | T | 47.8 | Very low | 38.4 | Very low | 77 Ų | 77 | 121.8 Ų | 121.8 | 47% | 0.472 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -55.6 | -36.9 | 179.7 | -15.2 | 0 | 0 | 0 | 0 | 114.2 | S727 L733 | S727-T729 PolarHBondContact O-N 2.93Å; S727-T729 VanDerWaalsContact O-N 3.1Å; S727-T729 PolarHBondContact OG-OG1 2.85Å; T729-L733 PolarHBondContact O-N 3.21Å |
| 730 | W | 47.4 | Very low | 38.9 | Very low | 189 Ų | 189 | 122.4 Ų | 122.4 | 72% | 0.716 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.4 | -34.3 | -179.2 | -97.7 | 106.7 | 0 | 0 | 0 | 112.9 | S727 T728 L733 Q734 | S727-W730 PolarHBondContact O-N 3.23Å; T728-W730 VanDerWaalsContact C-N 3.29Å; T728-W730 PolarHBondContact O-N 2.76Å; W730-L733 PolarHBondContact O-N 2.92Å; W730-Q734 PolarHBondContact O-N 3.25Å |
| 731 | Q | 46.5 | Very low | 39.3 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 51% | 0.509 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70 | -34.9 | 175.1 | -79.9 | 174.7 | -26.1 | 0 | 0 | 111.8 | T728 L733 Q734 N735 | T728-Q731 PolarHBondContact O-N 3.25Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 3.02Å; Q731-Q734 PolarHBondContact O-N 3.27Å; Q731-N735 PolarHBondContact O-N 2.9Å |
| 732 | H | 44.2 | Very low | 39.9 | Very low | 56 Ų | 56 | 118.6 Ų | 118.6 | 26% | 0.259 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.7 | -34.3 | 178.5 | -71.2 | -149.5 | 0 | 0 | 0 | 111.4 | T728 N735 G736 D742 | T728-H732 PolarHBondContact O-CD2 2.99Å; T728-H732 PolarHBondContact O-N 3.49Å; T728-H732 VanDerWaalsContact O-N 3.12Å; H732-N735 PolarHBondContact O-N 2.67Å; H732-G736 PolarHBondContact O-N 3.3Å; H732-D742 IonicContact CE1-OD2 3.41Å; H732-D742 PolarHBondContact CE1-OD2 3.38Å; H732-D742 IonicContact CG-OD2 3.3Å; H732-D742 IonicContact ND1-OD2 3.77Å; H732-D742 PolarHBondContact ND1-OD2 3.45Å |
| 733 | L | 48.1 | Very low | 40.5 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.6 | -35.3 | 174.8 | -115.9 | 146.1 | 0 | 0 | 0 | 113 | T729 W730 Q731 | T729-L733 PolarHBondContact O-N 3.21Å; W730-L733 PolarHBondContact O-N 2.92Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 3.02Å |
| 734 | Q | 48 | Very low | 40.8 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.2 | -29.2 | 175.2 | -77.2 | -176.3 | -34.1 | 0 | 0 | 113.1 | W730 Q731 | W730-Q734 PolarHBondContact O-N 3.25Å; Q731-Q734 PolarHBondContact O-N 3.27Å |
| 735 | N | 47.4 | Very low | 41 | Very low | 128 Ų | 128 | 114 Ų | 114 | 68% | 0.684 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 3.9 | -176.2 | -69.3 | -12.7 | 0 | 0 | 0 | 114.2 | Q731 H732 V737 | Q731-N735 PolarHBondContact O-N 2.9Å; H732-N735 PolarHBondContact O-N 2.67Å; N735-V737 PolarHBondContact O-N 3.21Å |
| 736 | G | 36.9 | Very low | 41 | Very low | 71 Ų | 71 | 114.5 Ų | 114.5 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | 12.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H732 | H732-G736 PolarHBondContact O-N 3.3Š|
| 737 | V | 37.7 | Very low | 40.8 | Very low | 71 Ų | 71 | 107.5 Ų | 107.5 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | trans | -121.8 | 109.9 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | N735 Y739 | N735-V737 PolarHBondContact O-N 3.21Å; V737-Y739 HydrophobicContact CB-CE2 4.44Å; V737-Y739 HydrophobicContact CG1-CD2 4.18Å; V737-Y739 HydrophobicContact CG1-CE1 4.34Å; V737-Y739 HydrophobicContact CG1-CE2 3.64Å | ||
| 738 | L | 39.6 | Very low | 40.2 | Very low | 143 Ų | 143 | 109 Ų | 109 | 75% | 0.749 | 62% | 0.62 | S | S | * | * | trans | -90.6 | 117.1 | 171.7 | -94.5 | 119.8 | 0 | 0 | 0 | 109.5 | ||||
| 739 | Y | 39 | Very low | 39.5 | Very low | 140 Ų | 140 | 115.2 Ų | 115.2 | 55% | 0.549 | 64% | 0.644 | S | S | . | * | trans | -87.3 | 131.3 | 168.6 | -69.1 | -81.2 | 0 | 0 | 0 | 109.8 | V737 D741 D742 | V737-Y739 HydrophobicContact CB-CE2 4.44Å; V737-Y739 HydrophobicContact CG1-CD2 4.18Å; V737-Y739 HydrophobicContact CG1-CE1 4.34Å; V737-Y739 HydrophobicContact CG1-CE2 3.64Å; Y739-D741 PolarHBondContact O-N 3.43Å; Y739-D742 WeakPolarHBondContact O-CB 3.26Å; Y739-D742 PolarHBondContact O-N 3.27Å; Y739-D742 VanDerWaalsContact O-N 3.14Å | ||
| 740 | T | 40 | Very low | 38.7 | Very low | 103 Ų | 103 | 118 Ų | 118 | 63% | 0.632 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -24.2 | -178.5 | 45.4 | 0 | 0 | 0 | 0 | 113 | D742 L743 | T740-D742 VanDerWaalsContact C-N 3.26Å; T740-D742 PolarHBondContact O-N 2.74Å; T740-L743 PolarHBondContact O-N 3Å |
| 741 | D | 39.4 | Very low | 37.8 | Very low | 128 Ų | 128 | 115.1 Ų | 115.1 | 68% | 0.684 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.3 | -26.2 | 177.8 | -67.7 | -23.4 | 0 | 0 | 0 | 113 | Y739 L743 | Y739-D741 PolarHBondContact O-N 3.43Å; D741-L743 PolarHBondContact O-N 2.94Å |
| 742 | D | 40.7 | Very low | 37 | Very low | 76 Ų | 76 | 120 Ų | 120 | 41% | 0.406 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -69.9 | -17.2 | 178 | -70.6 | -29.9 | 0 | 0 | 0 | 112.7 | H732 Y739 T740 | H732-D742 IonicContact CE1-OD2 3.41Å; H732-D742 PolarHBondContact CE1-OD2 3.38Å; H732-D742 IonicContact CG-OD2 3.3Å; H732-D742 IonicContact ND1-OD2 3.77Å; H732-D742 PolarHBondContact ND1-OD2 3.45Å; Y739-D742 WeakPolarHBondContact O-CB 3.26Å; Y739-D742 PolarHBondContact O-N 3.27Å; Y739-D742 VanDerWaalsContact O-N 3.14Å; T740-D742 VanDerWaalsContact C-N 3.26Å; T740-D742 PolarHBondContact O-N 2.74Å |
| 743 | L | 41 | Very low | 36 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 51% | 0.513 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -93.9 | -20.4 | -177.2 | -71.9 | 166.1 | 0 | 0 | 0 | 113.7 | T740 D741 | T740-L743 PolarHBondContact O-N 3Å; D741-L743 PolarHBondContact O-N 2.94Å |
| 744 | Y | 36.2 | Very low | 35.1 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -127.1 | 13.9 | -165.3 | -67.8 | -77.6 | 0 | 0 | 0 | 115.7 | G746 | Y744-G746 PolarHBondContact O-N 3.39Å |
| 745 | A | 33.4 | Very low | 34.1 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | -69.1 | 77.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 746 | G | 30.3 | Very low | 33.2 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | -151.4 | 14.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y744 | Y744-G746 PolarHBondContact O-N 3.39Š| ||
| 747 | G | 27.3 | Very low | 32.8 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -117.5 | 128.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 748 | S | 29.1 | Very low | 32.4 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 68.3 | 82.7 | 165.8 | 175.5 | 0 | 0 | 0 | 0 | 117.3 | L750 | S748-L750 PolarHBondContact O-N 3.39Å; S748-L750 VanDerWaalsContact O-N 3.12Å | ||
| 749 | Q | 30.1 | Very low | 31.8 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 96% | 0.958 | 76% | 0.758 | S | S | * | * | trans | -76.7 | 73.7 | 148.9 | -73.7 | -166.5 | -3.3 | 0 | 0 | 109.8 | ||||
| 750 | L | 29.6 | Very low | 31.4 | Very low | 135 Ų | 135 | 134 Ų | 134 | 71% | 0.707 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -121.9 | 100.2 | 160.1 | -90.2 | 157.8 | 0 | 0 | 0 | 107.3 | S748 | S748-L750 PolarHBondContact O-N 3.39Å; S748-L750 VanDerWaalsContact O-N 3.12Å |
| 751 | T | 29.1 | Very low | 30.7 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 44.8 | 75.2 | 156.3 | 64.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 752 | K | 29.2 | Very low | 30.4 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -89.7 | 102.8 | 152.8 | -78.9 | -172.8 | 178.3 | 179.6 | 0 | 108.8 | K754 | K752-K754 PolarHBondContact O-N 3.26Š| ||
| 753 | R | 24.8 | Very low | 29.9 | Very low | 239 Ų | 239 | 140.9 Ų | 140.9 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 132.6 | 170.9 | -74.4 | -177.7 | 171.4 | -174.7 | -2.1 | 109.1 | ||
| 754 | K | 29.1 | Very low | 29.3 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 134.9 | 174.3 | -79.9 | -179.4 | 173.8 | 180 | 0 | 109.9 | K752 C756 | K752-K754 PolarHBondContact O-N 3.26Å; K754-C756 PolarHBondContact O-N 2.63Å |
| 755 | P | 26.9 | Very low | 29 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 127.8 | 174.5 | -6.4 | 21.4 | 0 | 0 | 0 | 109.3 | L757 | P755-L757 PolarHBondContact O-N 3.03Š|
| 756 | C | 26.7 | Very low | 29.1 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -71.3 | 113.5 | 169.3 | -147.1 | 0 | 0 | 0 | 0 | 107.4 | K754 L758 | K754-C756 PolarHBondContact O-N 2.63Å; C756-L758 PolarHBondContact O-N 3.07Å; C756-L758 VanDerWaalsContact O-N 3.1Å | ||
| 757 | L | 30 | Very low | 29 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -70.3 | 102.5 | 174.4 | -84.1 | 159.2 | 0 | 0 | 0 | 108.7 | P755 G759 | P755-L757 PolarHBondContact O-N 3.03Å; L757-G759 PolarHBondContact O-N 3.38Å; L757-G759 VanDerWaalsContact O-N 3.11Å | ||
| 758 | L | 28.4 | Very low | 29.3 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -62.8 | 103.8 | 160.6 | -90.3 | 148.1 | 0 | 0 | 0 | 107.7 | C756 A760 | C756-L758 PolarHBondContact O-N 3.07Å; C756-L758 VanDerWaalsContact O-N 3.1Å; L758-A760 PolarHBondContact O-N 3.21Å | ||
| 759 | G | 27.3 | Very low | 29.2 | Very low | 74 Ų | 74 | 153 Ų | 153 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -64.2 | 103.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L757 | L757-G759 PolarHBondContact O-N 3.38Å; L757-G759 VanDerWaalsContact O-N 3.11Å | ||
| 760 | A | 30.3 | Very low | 29.3 | Very low | 90 Ų | 90 | 152.3 Ų | 152.3 | 74% | 0.744 | 84% | 0.84 | S | S | * | * | trans | -88.7 | 119 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109 | L758 F762 | L758-A760 PolarHBondContact O-N 3.21Å; A760-F762 PolarHBondContact O-N 3.07Å | ||
| 761 | N | 26.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 86% | 0.861 | 85% | 0.847 | S | S | * | * | trans | -49.1 | 122.3 | 176.3 | -69.4 | -46.7 | 0 | 0 | 0 | 112.8 | ||||
| 762 | F | 32.7 | Very low | 29.2 | Very low | 200 Ų | 200 | 154.5 Ų | 154.5 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | trans | -111.4 | 101.8 | 150.5 | -93.6 | -83.7 | 0 | 0 | 0 | 109.3 | A760 | A760-F762 PolarHBondContact O-N 3.07Š| ||
| 763 | S | 30.2 | Very low | 29.2 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 64% | 0.636 | 85% | 0.846 | S | S | * | * | trans | -16.2 | 133.4 | 156.8 | 53.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 764 | N | 27 | Very low | 29.5 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 84% | 0.842 | S | S | * | * | 40.8 | 114.5 | 128.5 | -69.2 | -15.2 | 0 | 0 | 0 | 118.9 | |||||
| 765 | R | 31.3 | Very low | 29.5 | Very low | 244 Ų | 244 | 142.9 Ų | 142.9 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | -167.2 | 151.6 | 107.7 | -102.4 | 173.2 | -167.8 | -133.7 | 4.2 | 112.4 | |||||
| 766 | P | 34.4 | Very low | 29.7 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 163.3 | -158.8 | 37.9 | -33 | 0 | 0 | 0 | 114.3 | ||
| 767 | S | 27.8 | Very low | 29.9 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 67% | 0.671 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 142.4 | 170.6 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 768 | P | 35.5 | Very low | 29.9 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 84% | 0.844 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 122.3 | 163 | 32.5 | -25.5 | 0 | 0 | 0 | 109.9 | ||
| 769 | N | 25.6 | Very low | 30 | Very low | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 121.8 | 162 | -81.7 | -21.2 | 0 | 0 | 0 | 109.2 | ||
| 770 | S | 31.9 | Very low | 30.3 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 100% | 1.336 | 85% | 0.846 | S | S | * | * | trans | 179.2 | 0 | 131 | 65.5 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 770 of 770 residues in 288.9 ms
(Link to these results)