| 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 | 50.5 | Low | 84 | Confident | 187 Ų | 187 | 94.5 Ų | 94.5 | 92% | 0.921 | 55% | 0.553 | S | S | * | * | 0 | 119.1 | 0 | -72.1 | -164 | -88.6 | 0 | 0 | 106.8 | |||||
| 2 | G | 59.4 | Low | 85.1 | Confident | 52 Ų | 52 | 94.2 Ų | 94.2 | 54% | 0.536 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 170 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S4 | G2-S4 PolarHBondContact O-N 2.84Š|
| 3 | A | 72.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 91.8 Ų | 91.8 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 134.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I34 | A3-I34 HydrophobicContact CB-CD1 4.27Å; A3-I34 HydrophobicContact CB-CG2 3.88Å |
| 4 | S | 81 | Confident | 87 | Confident | 70 Ų | 70 | 88.2 Ų | 88.2 | 49% | 0.49 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 150.8 | 171.5 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | G2 W32 | G2-S4 PolarHBondContact O-N 2.84Å; S4-W32 CarbonylContact C-O 3.56Å; S4-W32 VanDerWaalsContact CA-O 3.31Å; S4-W32 WeakPolarHBondContact CA-O 3.17Å |
| 5 | L | 90.6 | Very high | 87.7 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 27% | 0.267 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 162.8 | 170.2 | -65.7 | 172.6 | 0 | 0 | 0 | 110.8 | E7 V9 W32 R33 I34 | L5-E7 VanDerWaalsContact C-N 3.27Å; L5-E7 WeakPolarHBondContact CB-O 3.43Å; L5-V9 HydrophobicContact CD1-CG2 3.69Å; L5-W32 PolarHBondContact N-O 3.26Å; L5-R33 VanDerWaalsContact CD1-O 3.22Å; L5-R33 WeakPolarHBondContact CD1-O 3.11Å; L5-I34 HydrophobicContact CD2-CB 4.43Å; L5-I34 HydrophobicContact CD2-CG2 3.95Å; L5-I34 HydrophobicContact CG-CG2 4.32Å |
| 6 | S | 90 | Very high | 88.4 | Confident | 118 Ų | 118 | 88.1 Ų | 88.1 | 83% | 0.825 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -26.6 | 171.5 | 55 | 0 | 0 | 0 | 0 | 112.8 | ||
| 7 | E | 93 | Very high | 88.9 | Confident | 148 Ų | 148 | 85 Ų | 85 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148.5 | 176.1 | -65 | -176.9 | 167.3 | 0 | 0 | 108.8 | L5 | L5-E7 VanDerWaalsContact C-N 3.27Å; L5-E7 WeakPolarHBondContact CB-O 3.43Å |
| 8 | P | 95.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 84 Ų | 84 | 23% | 0.234 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 144.1 | -177.8 | 29.7 | -30.6 | 0 | 0 | 0 | 111.5 | T10 G31 W32 L300 | P8-T10 HydrophobicContact CB-CG2 4.23Å; P8-T10 HydrophobicContact CG-CG2 4.03Å; P8-T10 PolarHBondContact O-N 3.01Å; P8-G31 CarbonylContact C-O 3.16Å; P8-G31 VanDerWaalsContact CA-O 3.28Å; P8-G31 WeakPolarHBondContact CA-O 3.29Å; P8-W32 HydrophobicContact CB-CD2 3.82Å; P8-W32 HydrophobicContact CB-CE3 4.43Å; P8-W32 HydrophobicContact CB-CG 3.96Å; P8-W32 HydrophobicContact CB-CZ2 4.31Å; P8-W32 HydrophobicContact CG-CD2 4.22Å; P8-W32 HydrophobicContact CG-CH2 4.32Å; P8-W32 HydrophobicContact CG-CZ2 3.78Å; P8-L300 HydrophobicContact CB-CD1 4.13Å; P8-L300 HydrophobicContact CG-CD2 4.45Å |
| 9 | V | 97 | Very high | 89.8 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 100 | 168.2 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | L5 K11 M29 Q30 G31 | L5-V9 HydrophobicContact CD1-CG2 3.69Å; V9-K11 HydrophobicContact CG1-CB 4.47Å; V9-M29 WeakPolarHBondContact O-CG 3.28Å; V9-Q30 HydrophobicContact CB-CB 4.03Å; V9-Q30 HydrophobicContact CB-CG 4.32Å; V9-Q30 HydrophobicContact CG1-CB 4.18Å; V9-G31 PolarHBondContact N-O 3.47Å; V9-G31 PolarHBondContact O-N 2.97Å |
| 10 | T | 97.1 | Very high | 90.1 | Very high | 78 Ų | 78 | 85.3 Ų | 85.3 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 1.7 | -175.3 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | P8 R12 L300 | P8-T10 HydrophobicContact CB-CG2 4.23Å; P8-T10 HydrophobicContact CG-CG2 4.03Å; P8-T10 PolarHBondContact O-N 3.01Å; T10-R12 PolarHBondContact O-N 3.46Å; T10-L300 HydrophobicContact CG2-CD2 3.68Å |
| 11 | K | 97.4 | Very high | 90.3 | Very high | 179 Ų | 179 | 84.3 Ų | 84.3 | 78% | 0.778 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 127.8 | 173.6 | -176.3 | -177.7 | 176.9 | -173.7 | 0 | 109.1 | V9 | V9-K11 HydrophobicContact CG1-CB 4.47Å |
| 12 | R | 97.1 | Very high | 92.6 | Very high | 91 Ų | 91 | 76 Ų | 76 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 149.9 | 179.5 | -54.5 | 176.6 | -165.9 | 131.1 | 3.9 | 111.3 | T10 S28 E293 T297 | T10-R12 PolarHBondContact O-N 3.46Å; R12-S28 CarbonylContact C-O 3.55Å; R12-S28 VanDerWaalsContact CA-O 3.26Å; R12-S28 WeakPolarHBondContact CA-O 3.47Å; R12-E293 IonicContact CZ-OE2 3.43Å; R12-E293 IonicContact NH1-OE2 2.74Å; R12-E293 PolarHBondContact NH1-OE2 2.69Å; R12-T297 PolarHBondContact NH2-OG1 3.29Å |
| 13 | S | 98 | Very high | 94.4 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 44% | 0.441 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113 | 161.5 | -169.4 | 0 | 0 | 0 | 0 | 107.6 | S27 S28 | S13-S27 CarbonylContact O-C 3.44Å; S13-S27 WeakPolarHBondContact O-CA 3.39Å; S13-S28 PolarHBondContact N-O 2.97Å; S13-S28 PolarHBondContact O-N 2.81Å; S13-S28 PolarHBondContact O-OG 2.83Å |
| 14 | T | 98.5 | Very high | 95.6 | Very high | 42 Ų | 42 | 72.6 Ų | 72.6 | 26% | 0.258 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.5 | -168.1 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | S26 S27 D289 E293 | T14-S26 VanDerWaalsContact CA-O 3.32Å; T14-S26 WeakPolarHBondContact CA-O 3.46Å; T14-S26 WeakPolarHBondContact CG2-O 3.15Å; T14-S27 PolarHBondContact OG1-OG 3.27Å; T14-D289 HydrophobicContact CG2-CB 3.64Å; T14-E293 WeakPolarHBondContact CB-OE1 3.48Å; T14-E293 HydrophobicContact CG2-CG 4.14Å; T14-E293 WeakPolarHBondContact OG1-CG 3.36Å; T14-E293 PolarHBondContact OG1-OE1 3.47Å |
| 15 | E | 98.4 | Very high | 96.5 | Very high | 96 Ų | 96 | 69.3 Ų | 69.3 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.1 | 178.8 | -59.4 | -178.6 | -175.5 | 0 | 0 | 110.3 | G25 S26 | E15-G25 WeakPolarHBondContact O-CA 3.21Å; E15-S26 PolarHBondContact N-O 2.76Å; E15-S26 PolarHBondContact O-N 3.38Å |
| 16 | S | 98.1 | Very high | 96.9 | Very high | 78 Ų | 78 | 66.9 Ų | 66.9 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 147 | 174.3 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | V24 | S16-V24 VanDerWaalsContact CA-O 3.31Å; S16-V24 WeakPolarHBondContact CA-O 3.48Å |
| 17 | C | 97.8 | Very high | 97.3 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 154.8 | 174.3 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | V24 L44 | C17-V24 PolarHBondContact N-O 3.41Å; C17-V24 PolarHBondContact O-N 3.3Å; C17-L44 HydrophobicContact CB-CD1 3.79Å; C17-L44 HydrophobicContact CB-CG 4.26Å |
| 18 | A | 97.8 | Very high | 97.6 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 55% | 0.554 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y22 K23 L44 | A18-Y22 VanDerWaalsContact CA-O 3.28Å; A18-Y22 WeakPolarHBondContact CA-O 3.3Å; A18-K23 HydrophobicContact CB-CB 4.44Å; A18-K23 HydrophobicContact CB-CG 4.21Å; A18-L44 WeakPolarHBondContact O-CD1 3.23Å |
| 19 | N | 96.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | trans | -138.3 | -169.2 | 165.3 | 68.3 | 6.1 | 0 | 0 | 0 | 108.5 | L21 Y22 L44 | N19-L21 PolarHBondContact O-N 2.94Å; N19-L21 PolarHBondContact OD1-N 3.09Å; N19-Y22 PolarHBondContact N-O 2.76Å; N19-Y22 PolarHBondContact OD1-N 3.18Å; N19-L44 HydrophobicContact CB-CD1 4.11Å | ||
| 20 | E | 95.4 | Very high | 97.8 | Very high | 139 Ų | 139 | 52.3 Ų | 52.3 | 65% | 0.65 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -66.7 | -20.8 | -179.9 | -58.4 | -59.5 | 151.6 | 0 | 0 | 113.5 | N324 | E20-N324 WeakPolarHBondContact CB-OD1 3.11Å; E20-N324 WeakPolarHBondContact O-CA 3.49Å; E20-N324 PolarHBondContact O-N 3.37Å |
| 21 | L | 95.7 | Very high | 97.7 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -97 | -35.2 | -175.9 | -60.3 | 179.3 | 0 | 0 | 0 | 112.8 | N19 I322 Q323 | N19-L21 PolarHBondContact O-N 2.94Å; N19-L21 PolarHBondContact OD1-N 3.09Å; L21-I322 VanDerWaalsContact O-CG1 3.23Å; L21-I322 WeakPolarHBondContact O-CG1 3.46Å; L21-I322 PolarHBondContact O-N 3.17Å; L21-Q323 PolarHBondContact O-N 3.01Å |
| 22 | Y | 97.4 | Very high | 97.7 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 145.5 | -169.6 | -45.6 | -60.7 | 0 | 0 | 0 | 112.5 | A18 N19 L44 S53 I124 V319 C320 L321 | A18-Y22 VanDerWaalsContact CA-O 3.28Å; A18-Y22 WeakPolarHBondContact CA-O 3.3Å; N19-Y22 PolarHBondContact N-O 2.76Å; N19-Y22 PolarHBondContact OD1-N 3.18Å; Y22-L44 HydrophobicContact CD2-CD2 4.35Å; Y22-S53 WeakPolarHBondContact CE2-OG 3.34Å; Y22-I124 HydrophobicContact CE1-CD1 4.05Å; Y22-I124 WeakPolarHBondContact OH-CG2 3.28Å; Y22-V319 HydrophobicContact CD1-CG1 4.18Å; Y22-V319 HydrophobicContact CG-CG1 4.35Å; Y22-C320 VanDerWaalsContact CA-O 3.31Å; Y22-C320 WeakPolarHBondContact CA-O 3.01Å; Y22-L321 HydrophobicContact CD1-CD2 3.83Å; Y22-L321 HydrophobicContact CE1-CD2 3.7Å |
| 23 | K | 98.3 | Very high | 97.6 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 17% | 0.174 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.2 | 164.1 | -171.3 | 172.3 | 179.2 | 162.5 | 0 | 108.6 | A18 E287 P288 C320 I322 Y327 | A18-K23 HydrophobicContact CB-CB 4.44Å; A18-K23 HydrophobicContact CB-CG 4.21Å; K23-E287 WeakPolarHBondContact CE-OE2 3.44Å; K23-E287 IonicContact NZ-OE1 2.86Å; K23-E287 PolarHBondContact NZ-OE1 3.34Å; K23-E287 IonicContact NZ-OE2 3.74Å; K23-E287 PolarHBondContact NZ-OE2 2.8Å; K23-P288 HydrophobicContact CD-CG 4.4Å; K23-P288 HydrophobicContact CG-CG 4.03Å; K23-C320 HydrophobicContact CB-CB 4.3Å; K23-C320 PolarHBondContact N-O 3.07Å; K23-C320 WeakPolarHBondContact O-CA 3.32Å; K23-C320 WeakPolarHBondContact O-CB 3.45Å; K23-C320 PolarHBondContact O-N 3.24Å; K23-I322 HydrophobicContact CB-CG2 4.4Å; K23-Y327 HydrophobicContact CD-CD1 4.26Å; K23-Y327 HydrophobicContact CD-CD2 3.97Å; K23-Y327 HydrophobicContact CD-CE2 4.42Å; K23-Y327 HydrophobicContact CD-CG 3.88Å |
| 24 | V | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.5 | -165.7 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | S16 C17 Q42 L44 F55 I317 L318 V319 | S16-V24 VanDerWaalsContact CA-O 3.31Å; S16-V24 WeakPolarHBondContact CA-O 3.48Å; C17-V24 PolarHBondContact N-O 3.41Å; C17-V24 PolarHBondContact O-N 3.3Å; V24-Q42 HydrophobicContact CG1-CB 4.4Å; V24-L44 HydrophobicContact CG2-CD2 3.7Å; V24-F55 HydrophobicContact CB-CE1 4.46Å; V24-F55 HydrophobicContact CG1-CD1 4.32Å; V24-F55 HydrophobicContact CG1-CE1 3.98Å; V24-F55 HydrophobicContact CG2-CE1 3.82Å; V24-F55 HydrophobicContact CG2-CZ 4.06Å; V24-I317 HydrophobicContact CG1-CG2 3.73Å; V24-L318 WeakPolarHBondContact CA-O 3.39Å; V24-V319 HydrophobicContact CG1-CG2 4.07Å; V24-V319 HydrophobicContact CG2-CB 4.37Å; V24-V319 HydrophobicContact CG2-CG1 4Å; V24-V319 HydrophobicContact CG2-CG2 4.32Å |
| 25 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E15 C292 I317 L318 | E15-G25 WeakPolarHBondContact O-CA 3.21Å; G25-C292 PolarHBondContact O-SG 3.16Å; G25-C292 VanDerWaalsContact O-SG 3.38Å; G25-I317 WeakPolarHBondContact O-CA 3.39Å; G25-L318 PolarHBondContact N-O 2.63Å; G25-L318 PolarHBondContact O-N 2.79Å |
| 26 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.2 | 170.5 | 68.5 | 0 | 0 | 0 | 0 | 110.2 | T14 E15 H40 Q42 V316 | T14-S26 VanDerWaalsContact CA-O 3.32Å; T14-S26 WeakPolarHBondContact CA-O 3.46Å; T14-S26 WeakPolarHBondContact CG2-O 3.15Å; E15-S26 PolarHBondContact N-O 2.76Å; E15-S26 PolarHBondContact O-N 3.38Å; S26-H40 PolarHBondContact OG-NE2 3.2Å; S26-Q42 PolarHBondContact OG-OE1 2.84Å; S26-V316 CarbonylContact C-O 3.48Å; S26-V316 WeakPolarHBondContact CA-O 3.18Å; S26-V316 WeakPolarHBondContact CB-O 3.47Å |
| 27 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147.8 | 167.9 | -163.1 | 0 | 0 | 0 | 0 | 110.4 | S13 T14 L296 T315 V316 | S13-S27 CarbonylContact O-C 3.44Å; S13-S27 WeakPolarHBondContact O-CA 3.39Å; T14-S27 PolarHBondContact OG1-OG 3.27Å; S27-L296 WeakPolarHBondContact OG-CD1 3.44Å; S27-T315 WeakPolarHBondContact O-CA 3.31Å; S27-V316 PolarHBondContact N-O 2.78Å; S27-V316 PolarHBondContact O-N 2.94Å |
| 28 | S | 98.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.1 | 174.5 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | R12 S13 M314 T315 | R12-S28 CarbonylContact C-O 3.55Å; R12-S28 VanDerWaalsContact CA-O 3.26Å; R12-S28 WeakPolarHBondContact CA-O 3.47Å; S13-S28 PolarHBondContact N-O 2.97Å; S13-S28 PolarHBondContact O-N 2.81Å; S13-S28 PolarHBondContact O-OG 2.83Å; S28-M314 CarbonylContact C-O 3.58Å; S28-M314 WeakPolarHBondContact CA-O 3.28Å; S28-T315 WeakPolarHBondContact CB-OG1 3.42Å |
| 29 | M | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 132.4 | -179.1 | -179 | 171.3 | 68.7 | 0 | 0 | 110.1 | V9 G31 L296 L300 M314 | V9-M29 WeakPolarHBondContact O-CG 3.28Å; M29-G31 PolarHBondContact O-N 3Å; M29-L296 HydrophobicContact CB-CD1 3.66Å; M29-L296 HydrophobicContact CE-CB 3.97Å; M29-L300 HydrophobicContact CE-CB 3.81Å; M29-L300 HydrophobicContact CE-CD1 4.02Å; M29-L300 HydrophobicContact CE-CD2 3.92Å; M29-L300 HydrophobicContact CE-CG 4.12Å; M29-L300 HydrophobicContact SD-CD2 4.32Å; M29-M314 HydrophobicContact CE-CE 3.28Å; M29-M314 HydrophobicContact CE-SD 4.3Å; M29-M314 PolarHBondContact N-O 3.46Å; M29-M314 PolarHBondContact O-N 2.95Å |
| 30 | Q | 98 | Very high | 97.3 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | -36.9 | -179.7 | 178.8 | 173.9 | -41.6 | 0 | 0 | 112.5 | V9 R33 I34 M36 N313 | V9-Q30 HydrophobicContact CB-CB 4.03Å; V9-Q30 HydrophobicContact CB-CG 4.32Å; V9-Q30 HydrophobicContact CG1-CB 4.18Å; Q30-R33 PolarHBondContact NE2-O 3.04Å; Q30-I34 PolarHBondContact NE2-O 3.31Å; Q30-M36 HydrophobicContact CB-CB 4.06Å; Q30-M36 HydrophobicContact CB-SD 4.31Å; Q30-M36 HydrophobicContact CG-CB 4.12Å; Q30-N313 PolarHBondContact O-ND2 2.94Å |
| 31 | G | 96.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.2 | -135.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P8 V9 M29 | P8-G31 CarbonylContact C-O 3.16Å; P8-G31 VanDerWaalsContact CA-O 3.28Å; P8-G31 WeakPolarHBondContact CA-O 3.29Å; V9-G31 PolarHBondContact N-O 3.47Å; V9-G31 PolarHBondContact O-N 2.97Å; M29-G31 PolarHBondContact O-N 3Å |
| 32 | W | 96.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 8% | 0.083 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -10.7 | -172.2 | -69.9 | 91.9 | 0 | 0 | 0 | 114.5 | S4 L5 P8 A301 P302 C304 C311 | S4-W32 CarbonylContact C-O 3.56Å; S4-W32 VanDerWaalsContact CA-O 3.31Å; S4-W32 WeakPolarHBondContact CA-O 3.17Å; L5-W32 PolarHBondContact N-O 3.26Å; P8-W32 HydrophobicContact CB-CD2 3.82Å; P8-W32 HydrophobicContact CB-CE3 4.43Å; P8-W32 HydrophobicContact CB-CG 3.96Å; P8-W32 HydrophobicContact CB-CZ2 4.31Å; P8-W32 HydrophobicContact CG-CD2 4.22Å; P8-W32 HydrophobicContact CG-CH2 4.32Å; P8-W32 HydrophobicContact CG-CZ2 3.78Å; W32-A301 PolarHBondContact NE1-O 3.07Å; W32-P302 WeakPolarHBondContact CZ2-O 3.49Å; W32-C304 VanDerWaalsContact CB-SG 3.56Å; W32-C311 HydrophobicContact CB-CB 4Å; W32-C311 WeakPolarHBondContact CB-O 3.28Å; W32-C311 HydrophobicContact CG-CB 4.29Å |
| 33 | R | 94.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 26.6 Ų | 26.6 | 27% | 0.272 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 150.6 | 179.1 | -60.1 | -60.8 | -159.9 | 78.9 | -4.8 | 111.1 | L5 Q30 S35 D312 N313 | L5-R33 VanDerWaalsContact CD1-O 3.22Å; L5-R33 WeakPolarHBondContact CD1-O 3.11Å; Q30-R33 PolarHBondContact NE2-O 3.04Å; R33-S35 WeakPolarHBondContact CB-O 3.31Å; R33-S35 PolarHBondContact O-N 3.42Å; R33-D312 VanDerWaalsContact CZ-CG 3.41Å; R33-D312 IonicContact CZ-OD1 3.24Å; R33-D312 IonicContact CZ-OD2 2.76Å; R33-D312 IonicContact NE-OD1 3.22Å; R33-D312 PolarHBondContact NE-OD1 3.1Å; R33-D312 VanDerWaalsContact NE-OD1 3.07Å; R33-D312 IonicContact NE-OD2 2.7Å; R33-D312 IonicContact NH1-OD1 3.32Å; R33-D312 PolarHBondContact NH1-OD1 2.85Å; R33-D312 IonicContact NH2-OD1 2.61Å; R33-D312 PolarHBondContact NH2-OD1 3.02Å; R33-D312 IonicContact NH2-OD2 3.16Å; R33-D312 PolarHBondContact NH2-OD2 2.92Å; R33-N313 WeakPolarHBondContact CB-ND2 3.31Å |
| 34 | I | 94.5 | Very high | 97.4 | Very high | 105 Ų | 105 | 26 Ų | 26 | 54% | 0.538 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -67.4 | -22.4 | 177.4 | 56.7 | 165.2 | 0 | 0 | 0 | 114.1 | A3 L5 Q30 | A3-I34 HydrophobicContact CB-CD1 4.27Å; A3-I34 HydrophobicContact CB-CG2 3.88Å; L5-I34 HydrophobicContact CD2-CB 4.43Å; L5-I34 HydrophobicContact CD2-CG2 3.95Å; L5-I34 HydrophobicContact CG-CG2 4.32Å; Q30-I34 PolarHBondContact NE2-O 3.31Å |
| 35 | S | 95.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 28.3 Ų | 28.3 | 27% | 0.273 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -133.7 | 154.7 | -179.1 | 42.5 | 0 | 0 | 0 | 0 | 110 | R33 E37 N313 | R33-S35 WeakPolarHBondContact CB-O 3.31Å; R33-S35 PolarHBondContact O-N 3.42Å; S35-E37 PolarHBondContact OG-OE1 3.45Å; S35-N313 PolarHBondContact O-ND2 3.37Å; S35-N313 PolarHBondContact O-OD1 3.32Å |
| 36 | M | 97.2 | Very high | 97 | Very high | 48 Ų | 48 | 28.4 Ų | 28.4 | 24% | 0.236 | 15% | 0.15 | C | C | . | . | trans | -98.1 | 109.7 | 165.3 | 179.7 | 61.3 | -175.6 | 0 | 0 | 108.4 | Q30 D38 N313 | Q30-M36 HydrophobicContact CB-CB 4.06Å; Q30-M36 HydrophobicContact CB-SD 4.31Å; Q30-M36 HydrophobicContact CG-CB 4.12Å; M36-D38 HydrophobicContact CE-CB 3.57Å; M36-N313 WeakPolarHBondContact CA-OD1 3.23Å; M36-N313 HydrophobicContact SD-CB 3.95Å | ||
| 37 | E | 97 | Very high | 96.5 | Very high | 28 Ų | 28 | 33.8 Ų | 33.8 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | trans | -107.7 | -16.8 | -174.6 | -57.7 | -169.7 | 172.7 | 0 | 0 | 113.2 | S35 G60 H61 G62 G63 A64 A67 N313 | S35-E37 PolarHBondContact OG-OE1 3.45Å; E37-G60 VanDerWaalsContact CB-O 3.26Å; E37-G60 WeakPolarHBondContact CB-O 3.48Å; E37-H61 WeakPolarHBondContact OE2-CA 3.41Å; E37-G62 PolarHBondContact OE2-N 2.67Å; E37-G63 VanDerWaalsContact CD-N 3.34Å; E37-G63 PolarHBondContact OE1-N 3.25Å; E37-G63 PolarHBondContact OE2-N 2.94Å; E37-A64 HydrophobicContact CB-CB 4.45Å; E37-A67 WeakPolarHBondContact O-CB 3.46Å; E37-N313 PolarHBondContact N-OD1 2.83Å | ||
| 38 | D | 98.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.064 | 21% | 0.207 | C | C | . | . | trans | -67 | 154.9 | 175.5 | -46.6 | -5.8 | 0 | 0 | 0 | 113 | M36 Y58 C262 N313 T315 | M36-D38 HydrophobicContact CE-CB 3.57Å; D38-Y58 CarbonylContact C-O 3.52Å; D38-Y58 WeakPolarHBondContact CA-O 3.34Å; D38-C262 PolarHBondContact OD2-SG 2.85Å; D38-N313 VanDerWaalsContact OD1-CB 3.32Å; D38-N313 WeakPolarHBondContact OD1-CB 3.07Å; D38-T315 VanDerWaalsContact CB-OG1 3.23Å; D38-T315 WeakPolarHBondContact CB-OG1 3.21Å; D38-T315 WeakPolarHBondContact OD2-CB 3.37Å; D38-T315 PolarHBondContact OD2-N 3.16Å; D38-T315 PolarHBondContact OD2-OG1 3.38Å | ||
| 39 | A | 98.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 162.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y58 A67 R68 | A39-Y58 PolarHBondContact N-O 3.34Å; A39-Y58 PolarHBondContact O-N 2.97Å; A39-A67 HydrophobicContact CB-CB 4.17Å; A39-R68 HydrophobicContact CB-CG 4.5Å |
| 40 | H | 98.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 15% | 0.153 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 166.3 | 172.7 | 65.9 | -84 | 0 | 0 | 0 | 111.2 | S26 G56 V57 T315 I317 | S26-H40 PolarHBondContact OG-NE2 3.2Å; H40-G56 CarbonylContact C-O 3.52Å; H40-G56 WeakPolarHBondContact CA-O 3.12Å; H40-G56 WeakPolarHBondContact CB-O 3.34Å; H40-V57 HydrophobicContact CB-CG2 4.46Å; H40-T315 HydrophobicContact CB-CG2 3.83Å; H40-I317 HydrophobicContact CB-CD1 4.21Å |
| 41 | I | 97.7 | Very high | 95.2 | Very high | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 141.6 | 172.9 | -165.5 | 170.8 | 0 | 0 | 0 | 110.5 | L43 F54 F55 G56 Y58 S71 H75 I317 | I41-L43 HydrophobicContact CD1-CD1 3.78Å; I41-L43 HydrophobicContact CD1-CD2 4.36Å; I41-L43 HydrophobicContact CD1-CG 3.96Å; I41-L43 HydrophobicContact CG1-CD1 4.35Å; I41-L43 HydrophobicContact CG1-CD2 4.38Å; I41-L43 HydrophobicContact CG1-CG 3.99Å; I41-F54 HydrophobicContact CG2-CD1 3.77Å; I41-F54 HydrophobicContact CG2-CE1 3.63Å; I41-F55 WeakPolarHBondContact O-CA 3.39Å; I41-G56 PolarHBondContact N-O 2.81Å; I41-G56 PolarHBondContact O-N 3.49Å; I41-Y58 HydrophobicContact CG2-CE2 4.03Å; I41-S71 WeakPolarHBondContact CD1-O 3.4Å; I41-H75 WeakPolarHBondContact CD1-CE1 3.49Å; I41-I317 WeakPolarHBondContact O-CD1 3.47Å |
| 42 | Q | 96.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 108.1 | 173.8 | 57.7 | -175.3 | 27.2 | 0 | 0 | 110 | V24 S26 F55 | V24-Q42 HydrophobicContact CG1-CB 4.4Å; S26-Q42 PolarHBondContact OG-OE1 2.84Å; Q42-F55 HydrophobicContact CB-CD1 3.88Å; Q42-F55 HydrophobicContact CB-CE1 4.21Å |
| 43 | L | 96.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114.2 | 178.1 | -60.6 | 175.5 | 0 | 0 | 0 | 108.6 | I41 A45 M46 S53 F54 H75 | I41-L43 HydrophobicContact CD1-CD1 3.78Å; I41-L43 HydrophobicContact CD1-CD2 4.36Å; I41-L43 HydrophobicContact CD1-CG 3.96Å; I41-L43 HydrophobicContact CG1-CD1 4.35Å; I41-L43 HydrophobicContact CG1-CD2 4.38Å; I41-L43 HydrophobicContact CG1-CG 3.99Å; L43-A45 VanDerWaalsContact C-N 3.25Å; L43-M46 HydrophobicContact CD1-SD 3.43Å; L43-M46 WeakPolarHBondContact CD1-SD 3.31Å; L43-S53 CarbonylContact O-C 3.48Å; L43-S53 VanDerWaalsContact O-CA 3.28Å; L43-S53 WeakPolarHBondContact O-CA 3.14Å; L43-S53 WeakPolarHBondContact O-CB 3.2Å; L43-F54 HydrophobicContact CB-CB 4.38Å; L43-F54 PolarHBondContact N-O 3.14Å; L43-F54 PolarHBondContact O-N 2.89Å; L43-H75 VanDerWaalsContact CD1-CD2 3.46Å; L43-H75 WeakPolarHBondContact CD1-CD2 3.48Å |
| 44 | L | 96.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -73.5 | -22.2 | 175.1 | -62.7 | -179.5 | 0 | 0 | 0 | 112.6 | C17 A18 N19 Y22 V24 S53 F55 | C17-L44 HydrophobicContact CB-CD1 3.79Å; C17-L44 HydrophobicContact CB-CG 4.26Å; A18-L44 WeakPolarHBondContact O-CD1 3.23Å; N19-L44 HydrophobicContact CB-CD1 4.11Å; Y22-L44 HydrophobicContact CD2-CD2 4.35Å; V24-L44 HydrophobicContact CG2-CD2 3.7Å; L44-S53 PolarHBondContact O-OG 3.03Å; L44-F55 HydrophobicContact CD2-CE1 4.2Å; L44-F55 HydrophobicContact CD2-CZ 4.1Å |
| 45 | A | 95.5 | Very high | 95.2 | Very high | 48 Ų | 48 | 38.8 Ų | 38.8 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -149.4 | 135.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108 | L43 L52 | L43-A45 VanDerWaalsContact C-N 3.25Å; A45-L52 CarbonylContact C-O 3.14Å; A45-L52 VanDerWaalsContact CA-O 3.29Å; A45-L52 WeakPolarHBondContact CA-O 3.42Å |
| 46 | M | 92.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 140.9 | 172.4 | -73.7 | -72.5 | -63.8 | 0 | 0 | 109.5 | L43 E48 D49 L52 F54 H75 V79 | L43-M46 HydrophobicContact CD1-SD 3.43Å; L43-M46 WeakPolarHBondContact CD1-SD 3.31Å; M46-E48 PolarHBondContact O-N 2.89Å; M46-E48 VanDerWaalsContact O-N 3.17Å; M46-D49 WeakPolarHBondContact CB-O 3.33Å; M46-D49 PolarHBondContact N-O 3.07Å; M46-D49 CarbonylContact O-C 3.53Å; M46-D49 PolarHBondContact O-N 2.9Å; M46-D49 VanDerWaalsContact O-N 3.09Å; M46-D49 VanDerWaalsContact O-O 3.08Å; M46-L52 HydrophobicContact CB-CB 4.4Å; M46-L52 HydrophobicContact CB-CD2 4.38Å; M46-L52 HydrophobicContact CG-CB 4.18Å; M46-L52 HydrophobicContact CG-CD2 3.65Å; M46-L52 HydrophobicContact CG-CG 3.82Å; M46-L52 PolarHBondContact N-O 3.02Å; M46-F54 HydrophobicContact CG-CB 4.45Å; M46-F54 HydrophobicContact SD-CB 4.01Å; M46-H75 HydrophobicContact CE-CB 4Å; M46-H75 HydrophobicContact SD-CB 4.05Å; M46-V79 HydrophobicContact CE-CB 4.3Å; M46-V79 HydrophobicContact CE-CG1 3.7Å; M46-V79 HydrophobicContact CE-CG2 3.6Å; M46-V79 HydrophobicContact CG-CG1 4.43Å |
| 47 | P | 89.5 | Confident | 95.3 | Very high | 113 Ų | 113 | 34.6 Ų | 34.6 | 73% | 0.734 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -32.1 | 176.3 | -26.3 | 34.9 | 0 | 0 | 0 | 113.8 | ||
| 48 | E | 90 | Very high | 95.3 | Very high | 99 Ų | 99 | 33.3 Ų | 33.3 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -18.2 | 179.6 | -59.5 | 86.2 | 169 | 0 | 0 | 113.8 | M46 V79 | M46-E48 PolarHBondContact O-N 2.89Å; M46-E48 VanDerWaalsContact O-N 3.17Å; E48-V79 HydrophobicContact CB-CG2 4.17Å; E48-V79 HydrophobicContact CG-CG2 4.22Å |
| 49 | D | 92.1 | Very high | 95.3 | Very high | 35 Ų | 35 | 33.1 Ų | 33.1 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -151.6 | 100.7 | 179.3 | -172.9 | -18.1 | 0 | 0 | 0 | 110.1 | M46 G51 L52 Y84 K125 | M46-D49 WeakPolarHBondContact CB-O 3.33Å; M46-D49 PolarHBondContact N-O 3.07Å; M46-D49 CarbonylContact O-C 3.53Å; M46-D49 PolarHBondContact O-N 2.9Å; M46-D49 VanDerWaalsContact O-N 3.09Å; M46-D49 VanDerWaalsContact O-O 3.08Å; D49-G51 PolarHBondContact O-N 3.03Å; D49-G51 VanDerWaalsContact O-N 3.16Å; D49-G51 WeakPolarHBondContact OD1-CA 3.43Å; D49-G51 PolarHBondContact OD1-N 3.22Å; D49-L52 HydrophobicContact CB-CB 4.05Å; D49-L52 PolarHBondContact O-N 2.84Å; D49-L52 VanDerWaalsContact O-N 3.07Å; D49-Y84 PolarHBondContact OD2-OH 3.13Å; D49-K125 WeakPolarHBondContact OD2-CE 2.85Å; D49-K125 IonicContact OD2-NZ 3.39Å; D49-K125 PolarHBondContact OD2-NZ 2.72Å |
| 50 | E | 92.7 | Very high | 95.2 | Very high | 178 Ų | 178 | 32.7 Ų | 32.7 | 83% | 0.832 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.8 | -178.4 | -65.7 | -174.7 | 174 | 0 | 0 | 113.3 | ||
| 51 | G | 92.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 42% | 0.423 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D49 | D49-G51 PolarHBondContact O-N 3.03Å; D49-G51 VanDerWaalsContact O-N 3.16Å; D49-G51 WeakPolarHBondContact OD1-CA 3.43Å; D49-G51 PolarHBondContact OD1-N 3.22Å |
| 52 | L | 94 | Very high | 94.6 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.8 | -179.7 | 175.1 | 65 | 0 | 0 | 0 | 111.4 | A45 M46 D49 V79 Y84 L123 K125 | A45-L52 CarbonylContact C-O 3.14Å; A45-L52 VanDerWaalsContact CA-O 3.29Å; A45-L52 WeakPolarHBondContact CA-O 3.42Å; M46-L52 HydrophobicContact CB-CB 4.4Å; M46-L52 HydrophobicContact CB-CD2 4.38Å; M46-L52 HydrophobicContact CG-CB 4.18Å; M46-L52 HydrophobicContact CG-CD2 3.65Å; M46-L52 HydrophobicContact CG-CG 3.82Å; M46-L52 PolarHBondContact N-O 3.02Å; D49-L52 HydrophobicContact CB-CB 4.05Å; D49-L52 PolarHBondContact O-N 2.84Å; D49-L52 VanDerWaalsContact O-N 3.07Å; L52-V79 HydrophobicContact CD2-CG1 3.44Å; L52-V79 VanDerWaalsContact CD2-CG1 3.44Å; L52-Y84 HydrophobicContact CD2-CE2 3.83Å; L52-Y84 WeakPolarHBondContact CD2-OH 3.37Å; L52-L123 HydrophobicContact CD1-CB 3.94Å; L52-L123 HydrophobicContact CD1-CD2 4.08Å; L52-L123 HydrophobicContact CD1-CG 4.28Å; L52-L123 HydrophobicContact CD2-CD2 4.27Å; L52-K125 HydrophobicContact CD1-CB 3.97Å |
| 53 | S | 95.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 144.1 | 163.5 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | Y22 L43 L44 L123 I124 | Y22-S53 WeakPolarHBondContact CE2-OG 3.34Å; L43-S53 CarbonylContact O-C 3.48Å; L43-S53 VanDerWaalsContact O-CA 3.28Å; L43-S53 WeakPolarHBondContact O-CA 3.14Å; L43-S53 WeakPolarHBondContact O-CB 3.2Å; L44-S53 PolarHBondContact O-OG 3.03Å; S53-L123 WeakPolarHBondContact O-CA 3.43Å; S53-I124 PolarHBondContact N-O 3.38Å; S53-I124 PolarHBondContact O-N 2.91Å |
| 54 | F | 95.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126.5 | 179.5 | -174.5 | -76.9 | 0 | 0 | 0 | 110.7 | I41 L43 M46 H75 I78 V121 L123 | I41-F54 HydrophobicContact CG2-CD1 3.77Å; I41-F54 HydrophobicContact CG2-CE1 3.63Å; L43-F54 HydrophobicContact CB-CB 4.38Å; L43-F54 PolarHBondContact N-O 3.14Å; L43-F54 PolarHBondContact O-N 2.89Å; M46-F54 HydrophobicContact CG-CB 4.45Å; M46-F54 HydrophobicContact SD-CB 4.01Å; F54-H75 HydrophobicContact CD1-CB 3.71Å; F54-H75 HydrophobicContact CD2-CB 3.65Å; F54-H75 HydrophobicContact CE1-CB 3.73Å; F54-H75 HydrophobicContact CE2-CB 3.69Å; F54-H75 HydrophobicContact CG-CB 3.69Å; F54-H75 HydrophobicContact CZ-CB 3.72Å; F54-I78 HydrophobicContact CE2-CD1 3.85Å; F54-V121 HydrophobicContact CE1-CB 4.4Å; F54-V121 HydrophobicContact CE1-CG1 4.16Å; F54-V121 HydrophobicContact CE2-CB 4.14Å; F54-V121 HydrophobicContact CE2-CG1 4.37Å; F54-V121 HydrophobicContact CE2-CG2 4.45Å; F54-V121 HydrophobicContact CZ-CB 3.74Å; F54-V121 HydrophobicContact CZ-CG1 3.55Å; F54-V121 HydrophobicContact CZ-CG2 4.41Å; F54-L123 HydrophobicContact CD2-CD1 3.8Å; F54-L123 HydrophobicContact CD2-CD2 4.13Å; F54-L123 HydrophobicContact CD2-CG 3.64Å; F54-L123 HydrophobicContact CE2-CD1 3.68Å; F54-L123 HydrophobicContact CE2-CD2 4.48Å; F54-L123 HydrophobicContact CE2-CG 4.05Å |
| 55 | F | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139 | 174.7 | -51.2 | -79.2 | 0 | 0 | 0 | 109.4 | V24 I41 Q42 L44 V121 V122 I124 L260 I317 V319 | V24-F55 HydrophobicContact CB-CE1 4.46Å; V24-F55 HydrophobicContact CG1-CD1 4.32Å; V24-F55 HydrophobicContact CG1-CE1 3.98Å; V24-F55 HydrophobicContact CG2-CE1 3.82Å; V24-F55 HydrophobicContact CG2-CZ 4.06Å; I41-F55 WeakPolarHBondContact O-CA 3.39Å; Q42-F55 HydrophobicContact CB-CD1 3.88Å; Q42-F55 HydrophobicContact CB-CE1 4.21Å; L44-F55 HydrophobicContact CD2-CE1 4.2Å; L44-F55 HydrophobicContact CD2-CZ 4.1Å; F55-V121 CarbonylContact O-C 3.51Å; F55-V121 VanDerWaalsContact O-CA 3.23Å; F55-V121 WeakPolarHBondContact O-CA 3.23Å; F55-V122 PolarHBondContact N-O 2.96Å; F55-V122 PolarHBondContact O-N 3.31Å; F55-I124 HydrophobicContact CE2-CD1 4.16Å; F55-L260 HydrophobicContact CB-CD1 4.2Å; F55-L260 HydrophobicContact CB-CD2 4.11Å; F55-I317 HydrophobicContact CB-CD1 4.43Å; F55-I317 HydrophobicContact CD1-CG2 4.37Å; F55-V319 HydrophobicContact CD1-CG2 3.77Å; F55-V319 HydrophobicContact CD2-CG1 4.49Å; F55-V319 HydrophobicContact CD2-CG2 3.89Å; F55-V319 HydrophobicContact CE1-CG1 4.49Å; F55-V319 HydrophobicContact CE1-CG2 3.91Å; F55-V319 HydrophobicContact CE2-CG1 3.87Å; F55-V319 HydrophobicContact CE2-CG2 4Å; F55-V319 HydrophobicContact CG-CG2 3.77Å; F55-V319 HydrophobicContact CZ-CG1 3.87Å; F55-V319 HydrophobicContact CZ-CG2 4.01Å |
| 56 | G | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 141.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | H40 I41 V120 I317 | H40-G56 CarbonylContact C-O 3.52Å; H40-G56 WeakPolarHBondContact CA-O 3.12Å; H40-G56 WeakPolarHBondContact CB-O 3.34Å; I41-G56 PolarHBondContact N-O 2.81Å; I41-G56 PolarHBondContact O-N 3.49Å; G56-V120 CarbonylContact C-O 3.53Å; G56-V120 VanDerWaalsContact CA-O 3.22Å; G56-V120 WeakPolarHBondContact CA-O 3.34Å; G56-I317 WeakPolarHBondContact O-CD1 3.45Å |
| 57 | V | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.8 | 170.8 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | H40 V120 L260 C262 T315 I317 | H40-V57 HydrophobicContact CB-CG2 4.46Å; V57-V120 HydrophobicContact CB-CG1 3.87Å; V57-V120 PolarHBondContact N-O 3Å; V57-V120 PolarHBondContact O-N 3.44Å; V57-L260 HydrophobicContact CG2-CB 3.93Å; V57-C262 HydrophobicContact CG1-CB 4.25Å; V57-T315 HydrophobicContact CG1-CG2 4.05Å; V57-T315 HydrophobicContact CG2-CG2 4.32Å; V57-I317 HydrophobicContact CG2-CD1 3.81Å; V57-I317 HydrophobicContact CG2-CG1 3.84Å |
| 58 | Y | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 103.4 | -174.3 | -52.5 | -94.1 | 0 | 0 | 0 | 108.1 | D38 A39 I41 A70 S71 L74 T118 A119 | D38-Y58 CarbonylContact C-O 3.52Å; D38-Y58 WeakPolarHBondContact CA-O 3.34Å; A39-Y58 PolarHBondContact N-O 3.34Å; A39-Y58 PolarHBondContact O-N 2.97Å; I41-Y58 HydrophobicContact CG2-CE2 4.03Å; Y58-A70 HydrophobicContact CD1-CB 3.57Å; Y58-A70 HydrophobicContact CE1-CB 3.7Å; Y58-A70 HydrophobicContact CG-CB 4.49Å; Y58-S71 VanDerWaalsContact CD2-CB 3.48Å; Y58-S71 VanDerWaalsContact CE2-CB 3.45Å; Y58-L74 HydrophobicContact CE1-CD2 3.91Å; Y58-T118 WeakPolarHBondContact CA-O 3.44Å; Y58-A119 HydrophobicContact CD1-CB 3.63Å; Y58-A119 HydrophobicContact CE1-CB 3.79Å |
| 59 | D | 97.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | trans | -86.1 | 113 | 176.9 | -172.1 | -25.4 | 0 | 0 | 0 | 108.3 | T117 T118 C262 | D59-T117 VanDerWaalsContact C-OG1 3.23Å; D59-T117 CarbonylContact O-C 3.57Å; D59-T117 WeakPolarHBondContact O-CA 3.21Å; D59-T117 WeakPolarHBondContact O-CB 3.47Å; D59-T117 PolarHBondContact O-OG1 2.93Å; D59-T118 HydrophobicContact CB-CG2 4.07Å; D59-T118 WeakPolarHBondContact CB-OG1 3.09Å; D59-T118 PolarHBondContact N-OG1 2.95Å; D59-T118 VanDerWaalsContact N-OG1 3.16Å; D59-T118 PolarHBondContact O-N 2.65Å; D59-C262 HydrophobicContact CB-CB 3.88Å; D59-C262 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 60 | G | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 147.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | E37 | E37-G60 VanDerWaalsContact CB-O 3.26Å; E37-G60 WeakPolarHBondContact CB-O 3.48Å |
| 61 | H | 93.2 | Very high | 95 | Very high | 31 Ų | 31 | 20 Ų | 20 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.1 | 171 | 59.9 | -97.9 | 0 | 0 | 0 | 111.8 | E37 G63 T115 G116 M199 D205 | E37-H61 WeakPolarHBondContact OE2-CA 3.41Å; H61-G63 PolarHBondContact O-N 3Å; H61-T115 CarbonylContact O-C 3.53Å; H61-T115 VanDerWaalsContact O-CA 3.29Å; H61-T115 WeakPolarHBondContact O-CA 3.32Å; H61-T115 WeakPolarHBondContact O-CG2 3.34Å; H61-G116 VanDerWaalsContact CE1-C 3.47Å; H61-G116 PolarHBondContact N-O 3.45Å; H61-G116 WeakPolarHBondContact NE2-CA 3.37Å; H61-G116 PolarHBondContact O-N 3.08Å; H61-M199 PolarHBondContact CE1-SD 3.29Å; H61-D205 IonicContact CD2-OD1 2.78Å; H61-D205 IonicContact CE1-OD1 3.24Å; H61-D205 IonicContact CE1-OD2 3.72Å; H61-D205 PolarHBondContact CE1-OD2 2.78Å; H61-D205 IonicContact NE2-OD1 2.91Å; H61-D205 PolarHBondContact NE2-OD1 2.85Å; H61-D205 IonicContact NE2-OD2 3.35Å; H61-D205 PolarHBondContact NE2-OD2 2.86Å |
| 62 | G | 90.6 | Very high | 95.2 | Very high | 54 Ų | 54 | 24.3 Ų | 24.3 | 56% | 0.557 | 13% | 0.134 | S | C | * | . | S | Bend | trans | 69.6 | 18.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E37 T115 | E37-G62 PolarHBondContact OE2-N 2.67Å; G62-T115 WeakPolarHBondContact O-CG2 3.38Å; G62-T115 PolarHBondContact O-OG1 3Å |
| 63 | G | 92.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 27.6 Ų | 27.6 | 22% | 0.216 | 15% | 0.147 | C | C | . | . | trans | 123.2 | 151.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E37 H61 A65 T115 | E37-G63 VanDerWaalsContact CD-N 3.34Å; E37-G63 PolarHBondContact OE1-N 3.25Å; E37-G63 PolarHBondContact OE2-N 2.94Å; H61-G63 PolarHBondContact O-N 3Å; G63-A65 VanDerWaalsContact C-N 3.29Å; G63-A65 PolarHBondContact O-N 2.68Å; G63-T115 VanDerWaalsContact O-CG2 3.26Å; G63-T115 WeakPolarHBondContact O-CG2 3.43Å | ||
| 64 | A | 94.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 27.4 Ų | 27.4 | 12% | 0.116 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -78.4 | -2.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E37 R68 | E37-A64 HydrophobicContact CB-CB 4.45Å; A64-R68 WeakPolarHBondContact O-CB 3.36Å; A64-R68 VanDerWaalsContact O-CG 3.23Å; A64-R68 WeakPolarHBondContact O-CG 3.43Å; A64-R68 PolarHBondContact O-N 3.21Å |
| 65 | A | 93.5 | Very high | 95.2 | Very high | 43 Ų | 43 | 27.9 Ų | 27.9 | 36% | 0.355 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.4 | -45.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G63 R68 Y69 | G63-A65 VanDerWaalsContact C-N 3.29Å; G63-A65 PolarHBondContact O-N 2.68Å; A65-R68 PolarHBondContact O-N 3.44Å; A65-Y69 WeakPolarHBondContact O-CB 3.28Å; A65-Y69 PolarHBondContact O-N 3.28Å |
| 66 | V | 94.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.1 | -44.9 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | R68 Y69 A70 I104 T115 T117 L203 | V66-R68 PolarHBondContact O-N 2.73Å; V66-Y69 PolarHBondContact O-N 2.9Å; V66-A70 WeakPolarHBondContact O-CB 3.41Å; V66-A70 PolarHBondContact O-N 2.7Å; V66-I104 HydrophobicContact CG1-CD1 3.9Å; V66-I104 HydrophobicContact CG1-CG2 4.08Å; V66-I104 HydrophobicContact CG2-CG2 4.1Å; V66-T115 HydrophobicContact CB-CG2 4.38Å; V66-T115 HydrophobicContact CG2-CG2 3.67Å; V66-T117 HydrophobicContact CB-CG2 4.29Å; V66-T117 HydrophobicContact CG1-CG2 3.57Å; V66-L203 HydrophobicContact CG1-CB 4.24Å |
| 67 | A | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E37 A39 A70 S71 T117 | E37-A67 WeakPolarHBondContact O-CB 3.46Å; A39-A67 HydrophobicContact CB-CB 4.17Å; A67-A70 PolarHBondContact O-N 2.94Å; A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 3.01Å; A67-T117 WeakPolarHBondContact CB-OG1 3.46Å |
| 68 | R | 96.3 | Very high | 94.9 | Very high | 157 Ų | 157 | 31.8 Ų | 31.8 | 59% | 0.592 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -66.1 | -37.4 | 177 | -70.5 | 174.2 | -169.7 | 164.3 | 5.8 | 113.1 | A39 A64 A65 V66 S71 Y72 | A39-R68 HydrophobicContact CB-CG 4.5Å; A64-R68 WeakPolarHBondContact O-CB 3.36Å; A64-R68 VanDerWaalsContact O-CG 3.23Å; A64-R68 WeakPolarHBondContact O-CG 3.43Å; A64-R68 PolarHBondContact O-N 3.21Å; A65-R68 PolarHBondContact O-N 3.44Å; V66-R68 PolarHBondContact O-N 2.73Å; R68-S71 PolarHBondContact O-OG 3.14Å; R68-S71 VanDerWaalsContact O-OG 3.1Å; R68-Y72 WeakPolarHBondContact O-CB 3.09Å; R68-Y72 PolarHBondContact O-N 3.32Å |
| 69 | Y | 95.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -49.3 | 176.1 | -170.5 | -86.9 | 0 | 0 | 0 | 110.6 | A65 V66 S71 Y72 Y73 T100 E103 I104 | A65-Y69 WeakPolarHBondContact O-CB 3.28Å; A65-Y69 PolarHBondContact O-N 3.28Å; V66-Y69 PolarHBondContact O-N 2.9Å; Y69-S71 PolarHBondContact O-N 2.69Å; Y69-Y72 PolarHBondContact O-N 3.47Å; Y69-Y73 AromaticContact CD1-CD2 3.9Å; Y69-Y73 HydrophobicContact CD1-CD2 3.9Å; Y69-Y73 AromaticContact CD2-CD2 3.54Å; Y69-Y73 HydrophobicContact CD2-CD2 3.54Å; Y69-Y73 AromaticContact CD2-CE2 3.6Å; Y69-Y73 HydrophobicContact CD2-CE2 3.6Å; Y69-Y73 AromaticContact CE1-CD2 3.72Å; Y69-Y73 HydrophobicContact CE1-CD2 3.72Å; Y69-Y73 HydrophobicContact CE1-CG 4.14Å; Y69-Y73 AromaticContact CE2-CD2 3.29Å; Y69-Y73 HydrophobicContact CE2-CD2 3.29Å; Y69-Y73 AromaticContact CE2-CE2 3.27Å; Y69-Y73 HydrophobicContact CE2-CE2 3.27Å; Y69-Y73 HydrophobicContact CE2-CG 4.26Å; Y69-Y73 AromaticContact CG-CD2 3.84Å; Y69-Y73 HydrophobicContact CG-CD2 3.84Å; Y69-Y73 HydrophobicContact CG-CE2 4.34Å; Y69-Y73 AromaticContact CZ-CD2 3.4Å; Y69-Y73 VanDerWaalsContact CZ-CD2 3.4Å; Y69-Y73 AromaticContact CZ-CE2 3.81Å; Y69-Y73 AromaticContact CZ-CG 3.96Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.22Å; Y69-Y73 PolarHBondContact O-N 3.3Å; Y69-T100 HydrophobicContact CD1-CG2 4.23Å; Y69-T100 HydrophobicContact CE1-CG2 4.3Å; Y69-E103 HydrophobicContact CE1-CB 4.1Å; Y69-E103 PolarHBondContact OH-OE2 3.21Å; Y69-I104 HydrophobicContact CD1-CD1 3.88Å; Y69-I104 HydrophobicContact CD1-CG1 3.34Å; Y69-I104 HydrophobicContact CE1-CG1 3.81Å; Y69-I104 HydrophobicContact CG-CG1 4.04Å |
| 70 | A | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y58 V66 A67 Y72 Y73 L74 T100 T117 L203 | Y58-A70 HydrophobicContact CD1-CB 3.57Å; Y58-A70 HydrophobicContact CE1-CB 3.7Å; Y58-A70 HydrophobicContact CG-CB 4.49Å; V66-A70 WeakPolarHBondContact O-CB 3.41Å; V66-A70 PolarHBondContact O-N 2.7Å; A67-A70 PolarHBondContact O-N 2.94Å; A70-Y72 VanDerWaalsContact C-N 3.27Å; A70-Y72 PolarHBondContact O-N 3.33Å; A70-Y73 PolarHBondContact O-N 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.37Å; A70-L74 PolarHBondContact O-N 3.05Å; A70-T100 HydrophobicContact CB-CG2 4.49Å; A70-T117 HydrophobicContact CB-CG2 4.16Å; A70-L203 HydrophobicContact CB-CD1 3.8Å |
| 71 | S | 96.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 38 Ų | 38 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -36.3 | 177.8 | 76.9 | 0 | 0 | 0 | 0 | 113 | I41 Y58 A67 R68 Y69 H75 | I41-S71 WeakPolarHBondContact CD1-O 3.4Å; Y58-S71 VanDerWaalsContact CD2-CB 3.48Å; Y58-S71 VanDerWaalsContact CE2-CB 3.45Å; A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 3.01Å; R68-S71 PolarHBondContact O-OG 3.14Å; R68-S71 VanDerWaalsContact O-OG 3.1Å; Y69-S71 PolarHBondContact O-N 2.69Å; S71-H75 PolarHBondContact O-CE1 2.95Å; S71-H75 PolarHBondContact O-ND1 2.79Å |
| 72 | Y | 96.1 | Very high | 94.5 | Very high | 131 Ų | 131 | 43 Ų | 43 | 51% | 0.514 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -84.3 | -26.7 | -177.2 | -169.8 | -93.3 | 0 | 0 | 0 | 114.9 | R68 Y69 A70 H75 K76 | R68-Y72 WeakPolarHBondContact O-CB 3.09Å; R68-Y72 PolarHBondContact O-N 3.32Å; Y69-Y72 PolarHBondContact O-N 3.47Å; A70-Y72 VanDerWaalsContact C-N 3.27Å; A70-Y72 PolarHBondContact O-N 3.33Å; Y72-H75 VanDerWaalsContact C-CE1 3.43Å; Y72-H75 PolarHBondContact O-CE1 3.35Å; Y72-K76 WeakPolarHBondContact O-CE 3.38Å; Y72-K76 PolarHBondContact O-NZ 3.24Å |
| 73 | Y | 96 | Very high | 94.4 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 28% | 0.275 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -116.6 | -27.7 | -171.7 | -68.3 | -72.9 | 0 | 0 | 0 | 115.2 | Y69 A70 H75 K76 R77 | Y69-Y73 AromaticContact CD1-CD2 3.9Å; Y69-Y73 HydrophobicContact CD1-CD2 3.9Å; Y69-Y73 AromaticContact CD2-CD2 3.54Å; Y69-Y73 HydrophobicContact CD2-CD2 3.54Å; Y69-Y73 AromaticContact CD2-CE2 3.6Å; Y69-Y73 HydrophobicContact CD2-CE2 3.6Å; Y69-Y73 AromaticContact CE1-CD2 3.72Å; Y69-Y73 HydrophobicContact CE1-CD2 3.72Å; Y69-Y73 HydrophobicContact CE1-CG 4.14Å; Y69-Y73 AromaticContact CE2-CD2 3.29Å; Y69-Y73 HydrophobicContact CE2-CD2 3.29Å; Y69-Y73 AromaticContact CE2-CE2 3.27Å; Y69-Y73 HydrophobicContact CE2-CE2 3.27Å; Y69-Y73 HydrophobicContact CE2-CG 4.26Å; Y69-Y73 AromaticContact CG-CD2 3.84Å; Y69-Y73 HydrophobicContact CG-CD2 3.84Å; Y69-Y73 HydrophobicContact CG-CE2 4.34Å; Y69-Y73 AromaticContact CZ-CD2 3.4Å; Y69-Y73 VanDerWaalsContact CZ-CD2 3.4Å; Y69-Y73 AromaticContact CZ-CE2 3.81Å; Y69-Y73 AromaticContact CZ-CG 3.96Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.22Å; Y69-Y73 PolarHBondContact O-N 3.3Å; A70-Y73 PolarHBondContact O-N 3.31Å; Y73-H75 PolarHBondContact O-N 3.35Å; Y73-K76 HydrophobicContact CD1-CD 4.46Å; Y73-K76 WeakPolarHBondContact O-CB 3.34Å; Y73-K76 PolarHBondContact O-N 3Å; Y73-R77 PolarHBondContact O-N 3.35Å |
| 74 | L | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.1 | -51.2 | -172.4 | 177.2 | 57.7 | 0 | 0 | 0 | 112.4 | Y58 A70 K76 R77 I78 G96 Y97 A119 V121 | Y58-L74 HydrophobicContact CE1-CD2 3.91Å; A70-L74 WeakPolarHBondContact O-CB 3.37Å; A70-L74 PolarHBondContact O-N 3.05Å; L74-K76 PolarHBondContact O-N 3.17Å; L74-R77 PolarHBondContact O-N 3.38Å; L74-R77 VanDerWaalsContact O-N 3.13Å; L74-I78 HydrophobicContact CD1-CD1 4.07Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; L74-I78 HydrophobicContact CG-CD1 4.04Å; L74-I78 WeakPolarHBondContact O-CG1 3.37Å; L74-I78 PolarHBondContact O-N 2.85Å; L74-I78 VanDerWaalsContact O-N 3.07Å; L74-G96 VanDerWaalsContact CD1-C 3.47Å; L74-G96 WeakPolarHBondContact CD1-O 3.37Å; L74-Y97 HydrophobicContact CD1-CD2 3.77Å; L74-Y97 HydrophobicContact CD1-CE2 4.25Å; L74-Y97 HydrophobicContact CD1-CG 3.94Å; L74-Y97 HydrophobicContact CD2-CD1 4.39Å; L74-Y97 HydrophobicContact CD2-CD2 4.14Å; L74-Y97 HydrophobicContact CD2-CE1 4.09Å; L74-Y97 HydrophobicContact CD2-CE2 3.8Å; L74-Y97 HydrophobicContact CD2-CG 4.42Å; L74-Y97 HydrophobicContact CG-CD2 4.49Å; L74-Y97 HydrophobicContact CG-CE2 4.5Å; L74-A119 HydrophobicContact CD2-CB 4.48Å; L74-V121 HydrophobicContact CD2-CG1 3.87Å |
| 75 | H | 94.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.4 | -37.3 | 178.1 | 58.8 | -78 | 0 | 0 | 0 | 112.6 | I41 L43 M46 F54 S71 Y72 Y73 I78 V79 | I41-H75 WeakPolarHBondContact CD1-CE1 3.49Å; L43-H75 VanDerWaalsContact CD1-CD2 3.46Å; L43-H75 WeakPolarHBondContact CD1-CD2 3.48Å; M46-H75 HydrophobicContact CE-CB 4Å; M46-H75 HydrophobicContact SD-CB 4.05Å; F54-H75 HydrophobicContact CD1-CB 3.71Å; F54-H75 HydrophobicContact CD2-CB 3.65Å; F54-H75 HydrophobicContact CE1-CB 3.73Å; F54-H75 HydrophobicContact CE2-CB 3.69Å; F54-H75 HydrophobicContact CG-CB 3.69Å; F54-H75 HydrophobicContact CZ-CB 3.72Å; S71-H75 PolarHBondContact O-CE1 2.95Å; S71-H75 PolarHBondContact O-ND1 2.79Å; Y72-H75 VanDerWaalsContact C-CE1 3.43Å; Y72-H75 PolarHBondContact O-CE1 3.35Å; Y73-H75 PolarHBondContact O-N 3.35Å; H75-I78 PolarHBondContact O-N 3.32Å; H75-V79 PolarHBondContact O-N 2.99Å |
| 76 | K | 96.7 | Very high | 94.1 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -44.4 | 177.4 | -59.8 | 175.2 | -178.3 | 151.1 | 0 | 111.3 | Y72 Y73 L74 I78 V79 Q80 | Y72-K76 WeakPolarHBondContact O-CE 3.38Å; Y72-K76 PolarHBondContact O-NZ 3.24Å; Y73-K76 HydrophobicContact CD1-CD 4.46Å; Y73-K76 WeakPolarHBondContact O-CB 3.34Å; Y73-K76 PolarHBondContact O-N 3Å; L74-K76 PolarHBondContact O-N 3.17Å; K76-I78 VanDerWaalsContact C-N 3.27Å; K76-I78 PolarHBondContact O-N 2.75Å; K76-V79 WeakPolarHBondContact O-CG2 3.43Å; K76-V79 PolarHBondContact O-N 2.86Å; K76-Q80 WeakPolarHBondContact O-CB 3.29Å; K76-Q80 WeakPolarHBondContact O-CG 3.12Å; K76-Q80 PolarHBondContact O-N 3.18Å; K76-Q80 PolarHBondContact O-OE1 2.87Å |
| 77 | R | 94.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -34 | 178.4 | -61.2 | -48.6 | 179.7 | -117.6 | -8.3 | 112.6 | Y73 L74 S81 L99 E103 | Y73-R77 PolarHBondContact O-N 3.35Å; L74-R77 PolarHBondContact O-N 3.38Å; L74-R77 VanDerWaalsContact O-N 3.13Å; R77-S81 PolarHBondContact O-N 3.08Å; R77-L99 HydrophobicContact CB-CD2 4.32Å; R77-L99 HydrophobicContact CG-CD2 4.22Å; R77-L99 HydrophobicContact CG-CG 4.39Å; R77-E103 IonicContact CZ-OE1 2.7Å; R77-E103 VanDerWaalsContact CZ-OE1 3.26Å; R77-E103 IonicContact CZ-OE2 3.29Å; R77-E103 VanDerWaalsContact NE-CD 3.35Å; R77-E103 IonicContact NE-OE1 3.56Å; R77-E103 PolarHBondContact NE-OE1 3.03Å; R77-E103 IonicContact NE-OE2 2.68Å; R77-E103 PolarHBondContact NE-OE2 2.96Å; R77-E103 IonicContact NH2-OE1 2.96Å; R77-E103 PolarHBondContact NH2-OE1 3.22Å; R77-E103 IonicContact NH2-OE2 3.11Å; R77-E103 PolarHBondContact NH2-OE2 3.27Å |
| 78 | I | 92.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -55.2 | 175.7 | -64.6 | 170.2 | 0 | 0 | 0 | 110.2 | F54 L74 H75 K76 Q80 S81 Y84 A92 I93 L123 | F54-I78 HydrophobicContact CE2-CD1 3.85Å; L74-I78 HydrophobicContact CD1-CD1 4.07Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; L74-I78 HydrophobicContact CG-CD1 4.04Å; L74-I78 WeakPolarHBondContact O-CG1 3.37Å; L74-I78 PolarHBondContact O-N 2.85Å; L74-I78 VanDerWaalsContact O-N 3.07Å; H75-I78 PolarHBondContact O-N 3.32Å; K76-I78 VanDerWaalsContact C-N 3.27Å; K76-I78 PolarHBondContact O-N 2.75Å; I78-Q80 VanDerWaalsContact C-N 3.3Å; I78-Q80 PolarHBondContact O-N 2.78Å; I78-S81 WeakPolarHBondContact O-CB 3.25Å; I78-S81 PolarHBondContact O-N 3.12Å; I78-S81 PolarHBondContact O-OG 3.1Å; I78-Y84 HydrophobicContact CG2-CD2 4.33Å; I78-Y84 WeakPolarHBondContact O-CB 3.46Å; I78-A92 HydrophobicContact CG2-CB 4.07Å; I78-I93 HydrophobicContact CD1-CG1 4.31Å; I78-I93 HydrophobicContact CG2-CG1 4.1Å; I78-L123 HydrophobicContact CG2-CD2 3.95Å |
| 79 | V | 94.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.4 | -22.9 | -176.8 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | M46 E48 L52 H75 K76 S81 Y84 | M46-V79 HydrophobicContact CE-CB 4.3Å; M46-V79 HydrophobicContact CE-CG1 3.7Å; M46-V79 HydrophobicContact CE-CG2 3.6Å; M46-V79 HydrophobicContact CG-CG1 4.43Å; E48-V79 HydrophobicContact CB-CG2 4.17Å; E48-V79 HydrophobicContact CG-CG2 4.22Å; L52-V79 HydrophobicContact CD2-CG1 3.44Å; L52-V79 VanDerWaalsContact CD2-CG1 3.44Å; H75-V79 PolarHBondContact O-N 2.99Å; K76-V79 WeakPolarHBondContact O-CG2 3.43Å; K76-V79 PolarHBondContact O-N 2.86Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-Y84 HydrophobicContact CB-CD1 4.28Å; V79-Y84 HydrophobicContact CB-CE1 4.3Å; V79-Y84 HydrophobicContact CB-CG 4.5Å; V79-Y84 HydrophobicContact CG1-CD2 4.36Å; V79-Y84 HydrophobicContact CG1-CE1 4.2Å; V79-Y84 HydrophobicContact CG1-CE2 4Å |
| 80 | Q | 95 | Very high | 91.7 | Very high | 111 Ų | 111 | 49 Ų | 49 | 52% | 0.519 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -9.4 | 176.2 | -71.8 | 168.9 | -8.2 | 0 | 0 | 113.4 | K76 I78 | K76-Q80 WeakPolarHBondContact O-CB 3.29Å; K76-Q80 WeakPolarHBondContact O-CG 3.12Å; K76-Q80 PolarHBondContact O-N 3.18Å; K76-Q80 PolarHBondContact O-OE1 2.87Å; I78-Q80 VanDerWaalsContact C-N 3.3Å; I78-Q80 PolarHBondContact O-N 2.78Å |
| 81 | S | 92 | Very high | 91.1 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -73 | 147.3 | -178.7 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | R77 I78 V79 A83 Y84 E85 A92 | R77-S81 PolarHBondContact O-N 3.08Å; I78-S81 WeakPolarHBondContact O-CB 3.25Å; I78-S81 PolarHBondContact O-N 3.12Å; I78-S81 PolarHBondContact O-OG 3.1Å; V79-S81 VanDerWaalsContact C-N 3.32Å; S81-A83 PolarHBondContact O-N 3.26Å; S81-Y84 WeakPolarHBondContact O-CB 3.46Å; S81-Y84 PolarHBondContact O-N 3.49Å; S81-Y84 WeakPolarHBondContact OG-CB 3.43Å; S81-Y84 PolarHBondContact OG-N 3.38Å; S81-Y84 VanDerWaalsContact OG-N 3.17Å; S81-E85 PolarHBondContact O-N 3.38Å; S81-A92 WeakPolarHBondContact OG-CA 3.49Å; S81-A92 WeakPolarHBondContact OG-CB 3.42Å |
| 82 | K | 94.4 | Very high | 90.7 | Very high | 135 Ų | 135 | 49.1 Ų | 49.1 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.1 | -34.3 | 173.2 | -166.5 | -175.9 | -172.9 | -120.4 | 0 | 111.6 | Y84 E85 E86 | K82-Y84 PolarHBondContact O-N 3.26Å; K82-E85 PolarHBondContact O-N 3.48Å; K82-E86 WeakPolarHBondContact CE-OE1 3.41Å; K82-E86 HydrophobicContact CG-CG 4.49Å; K82-E86 IonicContact NZ-OE1 2.67Å; K82-E86 PolarHBondContact NZ-OE1 3.34Å; K82-E86 WeakPolarHBondContact O-CG 3.46Å; K82-E86 PolarHBondContact O-N 2.85Å |
| 83 | A | 89 | Confident | 90.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S81 E86 G87 R88 D91 A92 | S81-A83 PolarHBondContact O-N 3.26Å; A83-E86 PolarHBondContact O-N 2.81Å; A83-G87 PolarHBondContact O-N 3.04Å; A83-R88 HydrophobicContact CB-CB 4.27Å; A83-R88 CarbonylContact O-C 3.43Å; A83-R88 WeakPolarHBondContact O-CA 3.42Å; A83-R88 WeakPolarHBondContact O-CB 3.33Å; A83-R88 PolarHBondContact O-N 2.88Å; A83-D91 HydrophobicContact CB-CB 3.75Å; A83-A92 HydrophobicContact CB-CB 4.07Å |
| 84 | Y | 90.9 | Very high | 89.6 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | 177 | -169.1 | -91.1 | 0 | 0 | 0 | 111.7 | D49 L52 I78 V79 S81 K82 E86 G87 I89 A92 K125 | D49-Y84 PolarHBondContact OD2-OH 3.13Å; L52-Y84 HydrophobicContact CD2-CE2 3.83Å; L52-Y84 WeakPolarHBondContact CD2-OH 3.37Å; I78-Y84 HydrophobicContact CG2-CD2 4.33Å; I78-Y84 WeakPolarHBondContact O-CB 3.46Å; V79-Y84 HydrophobicContact CB-CD1 4.28Å; V79-Y84 HydrophobicContact CB-CE1 4.3Å; V79-Y84 HydrophobicContact CB-CG 4.5Å; V79-Y84 HydrophobicContact CG1-CD2 4.36Å; V79-Y84 HydrophobicContact CG1-CE1 4.2Å; V79-Y84 HydrophobicContact CG1-CE2 4Å; S81-Y84 WeakPolarHBondContact O-CB 3.46Å; S81-Y84 PolarHBondContact O-N 3.49Å; S81-Y84 WeakPolarHBondContact OG-CB 3.43Å; S81-Y84 PolarHBondContact OG-N 3.38Å; S81-Y84 VanDerWaalsContact OG-N 3.17Å; K82-Y84 PolarHBondContact O-N 3.26Å; Y84-E86 PolarHBondContact O-N 2.66Å; Y84-G87 PolarHBondContact O-N 3.17Å; Y84-I89 HydrophobicContact CD2-CD1 3.57Å; Y84-I89 HydrophobicContact CE2-CD1 3.5Å; Y84-I89 VanDerWaalsContact CE2-CD1 3.5Å; Y84-I89 HydrophobicContact CG-CD1 4.32Å; Y84-A92 HydrophobicContact CD2-CB 4.09Å; Y84-A92 HydrophobicContact CG-CB 4.41Å; Y84-K125 PolarHBondContact OH-NZ 3.02Å |
| 85 | E | 92.6 | Very high | 89.2 | Confident | 166 Ų | 166 | 44.6 Ų | 44.6 | 78% | 0.776 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -56.9 | -37.9 | 175.6 | -173.6 | -177.4 | -175.8 | 0 | 0 | 111.8 | S81 K82 G87 | S81-E85 PolarHBondContact O-N 3.38Å; K82-E85 PolarHBondContact O-N 3.48Å; E85-G87 VanDerWaalsContact C-N 3.25Å; E85-G87 PolarHBondContact O-N 2.93Å |
| 86 | E | 90.6 | Very high | 89 | Confident | 91 Ų | 91 | 44.1 Ų | 44.1 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3.6 | 176.3 | -67.1 | 171.8 | 178.2 | 0 | 0 | 113.9 | K82 A83 Y84 R88 | K82-E86 WeakPolarHBondContact CE-OE1 3.41Å; K82-E86 HydrophobicContact CG-CG 4.49Å; K82-E86 IonicContact NZ-OE1 2.67Å; K82-E86 PolarHBondContact NZ-OE1 3.34Å; K82-E86 WeakPolarHBondContact O-CG 3.46Å; K82-E86 PolarHBondContact O-N 2.85Å; A83-E86 PolarHBondContact O-N 2.81Å; Y84-E86 PolarHBondContact O-N 2.66Å; E86-R88 HydrophobicContact CB-CG 4.44Å; E86-R88 PolarHBondContact O-N 2.81Å; E86-R88 IonicContact OE2-CZ 2.83Å; E86-R88 VanDerWaalsContact OE2-CZ 3.25Å; E86-R88 IonicContact OE2-NE 3.6Å; E86-R88 PolarHBondContact OE2-NE 3.05Å; E86-R88 IonicContact OE2-NH2 3.59Å; E86-R88 PolarHBondContact OE2-NH2 3.2Å |
| 87 | G | 85.1 | Confident | 88.7 | Confident | 53 Ų | 53 | 42.3 Ų | 42.3 | 55% | 0.546 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 4.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | A83 Y84 E85 I89 | A83-G87 PolarHBondContact O-N 3.04Å; Y84-G87 PolarHBondContact O-N 3.17Å; E85-G87 VanDerWaalsContact C-N 3.25Å; E85-G87 PolarHBondContact O-N 2.93Å; G87-I89 VanDerWaalsContact C-N 3.27Å; G87-I89 PolarHBondContact O-N 2.82Å |
| 88 | R | 84.1 | Confident | 88.3 | Confident | 97 Ų | 97 | 43 Ų | 43 | 37% | 0.366 | 21% | 0.213 | S | C | . | . | trans | -82.8 | 65.6 | 177.8 | -59.8 | -171.9 | -68.2 | 115.8 | -0.2 | 111.1 | A83 E86 A90 D91 A92 | A83-R88 HydrophobicContact CB-CB 4.27Å; A83-R88 CarbonylContact O-C 3.43Å; A83-R88 WeakPolarHBondContact O-CA 3.42Å; A83-R88 WeakPolarHBondContact O-CB 3.33Å; A83-R88 PolarHBondContact O-N 2.88Å; E86-R88 HydrophobicContact CB-CG 4.44Å; E86-R88 PolarHBondContact O-N 2.81Å; E86-R88 IonicContact OE2-CZ 2.83Å; E86-R88 VanDerWaalsContact OE2-CZ 3.25Å; E86-R88 IonicContact OE2-NE 3.6Å; E86-R88 PolarHBondContact OE2-NE 3.05Å; E86-R88 IonicContact OE2-NH2 3.59Å; E86-R88 PolarHBondContact OE2-NH2 3.2Å; R88-A90 PolarHBondContact O-N 2.9Å; R88-D91 HydrophobicContact CB-CB 4.06Å; R88-D91 IonicContact CZ-OD2 2.84Å; R88-D91 IonicContact NH1-OD2 2.89Å; R88-D91 PolarHBondContact NH1-OD2 3.42Å; R88-D91 WeakPolarHBondContact O-CB 3.19Å; R88-D91 PolarHBondContact O-N 2.87Å; R88-A92 PolarHBondContact O-N 3.31Å | ||
| 89 | I | 84 | Confident | 88.2 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -39.4 | -169.8 | -53.6 | -58.1 | 0 | 0 | 0 | 114 | Y84 G87 A92 I93 Y130 | Y84-I89 HydrophobicContact CD2-CD1 3.57Å; Y84-I89 HydrophobicContact CE2-CD1 3.5Å; Y84-I89 VanDerWaalsContact CE2-CD1 3.5Å; Y84-I89 HydrophobicContact CG-CD1 4.32Å; G87-I89 VanDerWaalsContact C-N 3.27Å; G87-I89 PolarHBondContact O-N 2.82Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 3.1Å; I89-I93 HydrophobicContact CG2-CD1 4.16Å; I89-I93 WeakPolarHBondContact O-CG1 3.41Å; I89-I93 PolarHBondContact O-N 3.44Å; I89-Y130 HydrophobicContact CB-CD1 4.07Å; I89-Y130 HydrophobicContact CB-CE1 3.88Å; I89-Y130 HydrophobicContact CB-CG 4.48Å; I89-Y130 HydrophobicContact CG1-CE1 4.24Å; I89-Y130 HydrophobicContact CG1-CE2 4.43Å; I89-Y130 HydrophobicContact CG2-CD1 3.87Å; I89-Y130 HydrophobicContact CG2-CD2 3.99Å; I89-Y130 HydrophobicContact CG2-CE1 4.11Å; I89-Y130 HydrophobicContact CG2-CE2 4.22Å; I89-Y130 HydrophobicContact CG2-CG 3.81Å |
| 90 | A | 77.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R88 A92 I93 R94 V246 | R88-A90 PolarHBondContact O-N 2.9Å; A90-A92 VanDerWaalsContact C-N 3.26Å; A90-I93 PolarHBondContact O-N 2.94Å; A90-R94 WeakPolarHBondContact O-CB 3.32Å; A90-R94 PolarHBondContact O-N 2.86Å; A90-V246 HydrophobicContact CB-CB 3.92Å; A90-V246 HydrophobicContact CB-CG1 3.49Å; A90-V246 VanDerWaalsContact CB-CG1 3.49Å; A90-V246 HydrophobicContact CB-CG2 3.22Å |
| 91 | D | 81.1 | Confident | 87.9 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.3 | -68.3 | -28.7 | 0 | 0 | 0 | 109.3 | A83 R88 R94 E95 | A83-D91 HydrophobicContact CB-CB 3.75Å; R88-D91 HydrophobicContact CB-CB 4.06Å; R88-D91 IonicContact CZ-OD2 2.84Å; R88-D91 IonicContact NH1-OD2 2.89Å; R88-D91 PolarHBondContact NH1-OD2 3.42Å; R88-D91 WeakPolarHBondContact O-CB 3.19Å; R88-D91 PolarHBondContact O-N 2.87Å; D91-R94 WeakPolarHBondContact O-CB 3.26Å; D91-R94 PolarHBondContact O-N 3.11Å; D91-R94 IonicContact OD1-CZ 3.25Å; D91-R94 IonicContact OD1-NH1 2.94Å; D91-R94 PolarHBondContact OD1-NH1 3Å; D91-R94 IonicContact OD1-NH2 2.7Å; D91-R94 PolarHBondContact OD1-NH2 3.06Å; D91-E95 WeakPolarHBondContact O-CB 3.38Å; D91-E95 VanDerWaalsContact O-CG 3.28Å; D91-E95 WeakPolarHBondContact O-CG 3.43Å; D91-E95 PolarHBondContact O-N 3.32Å |
| 92 | A | 88 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I78 S81 A83 Y84 R88 I89 A90 E95 G96 | I78-A92 HydrophobicContact CG2-CB 4.07Å; S81-A92 WeakPolarHBondContact OG-CA 3.49Å; S81-A92 WeakPolarHBondContact OG-CB 3.42Å; A83-A92 HydrophobicContact CB-CB 4.07Å; Y84-A92 HydrophobicContact CD2-CB 4.09Å; Y84-A92 HydrophobicContact CG-CB 4.41Å; R88-A92 PolarHBondContact O-N 3.31Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 3.1Å; A90-A92 VanDerWaalsContact C-N 3.26Å; A92-E95 PolarHBondContact O-N 3.35Å; A92-G96 PolarHBondContact O-N 3.34Å |
| 93 | I | 86.9 | Confident | 87.6 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -52 | 175.6 | -69.2 | 165.4 | 0 | 0 | 0 | 109.4 | I78 I89 A90 E95 G96 Y97 L123 | I78-I93 HydrophobicContact CD1-CG1 4.31Å; I78-I93 HydrophobicContact CG2-CG1 4.1Å; I89-I93 HydrophobicContact CG2-CD1 4.16Å; I89-I93 WeakPolarHBondContact O-CG1 3.41Å; I89-I93 PolarHBondContact O-N 3.44Å; A90-I93 PolarHBondContact O-N 2.94Å; I93-E95 PolarHBondContact O-N 2.88Å; I93-G96 PolarHBondContact O-N 3.38Å; I93-Y97 HydrophobicContact CG2-CD2 3.95Å; I93-Y97 HydrophobicContact CG2-CE2 3.83Å; I93-Y97 WeakPolarHBondContact O-CD2 3.26Å; I93-Y97 PolarHBondContact O-N 3.34Å; I93-L123 HydrophobicContact CD1-CD1 3.92Å; I93-L123 HydrophobicContact CD1-CD2 4.31Å; I93-L123 HydrophobicContact CG1-CD1 4.08Å; I93-L123 HydrophobicContact CG1-CD2 4.14Å |
| 94 | R | 82.3 | Confident | 87.7 | Confident | 35 Ų | 35 | 41.6 Ų | 41.6 | 13% | 0.132 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.4 | -50.4 | 178.4 | 176.6 | -165.3 | 73.3 | -138.8 | -6 | 112.4 | A90 D91 G96 Y97 L98 F146 V224 F226 | A90-R94 WeakPolarHBondContact O-CB 3.32Å; A90-R94 PolarHBondContact O-N 2.86Å; D91-R94 WeakPolarHBondContact O-CB 3.26Å; D91-R94 PolarHBondContact O-N 3.11Å; D91-R94 IonicContact OD1-CZ 3.25Å; D91-R94 IonicContact OD1-NH1 2.94Å; D91-R94 PolarHBondContact OD1-NH1 3Å; D91-R94 IonicContact OD1-NH2 2.7Å; D91-R94 PolarHBondContact OD1-NH2 3.06Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 2.66Å; R94-Y97 PolarHBondContact O-N 3.06Å; R94-L98 PolarHBondContact O-N 2.95Å; R94-F146 HydrophobicContact CB-CD1 3.96Å; R94-F146 HydrophobicContact CB-CE1 4.21Å; R94-F146 HydrophobicContact CB-CG 4.42Å; R94-F146 HydrophobicContact CG-CD1 3.79Å; R94-F146 HydrophobicContact CG-CE1 3.65Å; R94-F146 HydrophobicContact CG-CZ 4.38Å; R94-V224 HydrophobicContact CB-CG1 4.37Å; R94-V224 HydrophobicContact CG-CG1 3.58Å; R94-F226 HydrophobicContact CG-CE1 4.32Å; R94-F226 HydrophobicContact CG-CE2 3.8Å; R94-F226 HydrophobicContact CG-CZ 3.51Å |
| 95 | E | 86.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 178.6 | -75.8 | 169 | -155.3 | 0 | 0 | 111 | D91 A92 I93 Y97 L98 L99 | D91-E95 WeakPolarHBondContact O-CB 3.38Å; D91-E95 VanDerWaalsContact O-CG 3.28Å; D91-E95 WeakPolarHBondContact O-CG 3.43Å; D91-E95 PolarHBondContact O-N 3.32Å; A92-E95 PolarHBondContact O-N 3.35Å; I93-E95 PolarHBondContact O-N 2.88Å; E95-Y97 PolarHBondContact O-N 3.2Å; E95-L98 PolarHBondContact O-N 3.17Å; E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.4Å; E95-L99 PolarHBondContact O-N 2.97Å |
| 96 | G | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L74 A92 I93 R94 T100 | L74-G96 VanDerWaalsContact CD1-C 3.47Å; L74-G96 WeakPolarHBondContact CD1-O 3.37Å; A92-G96 PolarHBondContact O-N 3.34Å; I93-G96 PolarHBondContact O-N 3.38Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 2.66Å; G96-T100 VanDerWaalsContact O-CB 3.23Å; G96-T100 WeakPolarHBondContact O-CB 3.41Å; G96-T100 PolarHBondContact O-N 3.06Å; G96-T100 PolarHBondContact O-OG1 3.18Å |
| 97 | Y | 90.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 176 | -85.7 | -105.3 | 0 | 0 | 0 | 112.2 | L74 I93 R94 E95 T100 D101 A119 V121 G148 V150 L203 V224 | L74-Y97 HydrophobicContact CD1-CD2 3.77Å; L74-Y97 HydrophobicContact CD1-CE2 4.25Å; L74-Y97 HydrophobicContact CD1-CG 3.94Å; L74-Y97 HydrophobicContact CD2-CD1 4.39Å; L74-Y97 HydrophobicContact CD2-CD2 4.14Å; L74-Y97 HydrophobicContact CD2-CE1 4.09Å; L74-Y97 HydrophobicContact CD2-CE2 3.8Å; L74-Y97 HydrophobicContact CD2-CG 4.42Å; L74-Y97 HydrophobicContact CG-CD2 4.49Å; L74-Y97 HydrophobicContact CG-CE2 4.5Å; I93-Y97 HydrophobicContact CG2-CD2 3.95Å; I93-Y97 HydrophobicContact CG2-CE2 3.83Å; I93-Y97 WeakPolarHBondContact O-CD2 3.26Å; I93-Y97 PolarHBondContact O-N 3.34Å; R94-Y97 PolarHBondContact O-N 3.06Å; E95-Y97 PolarHBondContact O-N 3.2Å; Y97-T100 PolarHBondContact O-N 2.87Å; Y97-D101 WeakPolarHBondContact O-CB 3.5Å; Y97-D101 PolarHBondContact O-N 3.28Å; Y97-A119 HydrophobicContact CE1-CB 3.66Å; Y97-A119 PolarHBondContact OH-O 3.04Å; Y97-V121 HydrophobicContact CE2-CG2 3.95Å; Y97-V121 WeakPolarHBondContact OH-CG2 3.22Å; Y97-G148 VanDerWaalsContact OH-C 3.25Å; Y97-G148 PolarHBondContact OH-O 3.09Å; Y97-V150 HydrophobicContact CD1-CB 4.36Å; Y97-V150 HydrophobicContact CD1-CG2 3.51Å; Y97-V150 HydrophobicContact CE1-CB 3.9Å; Y97-V150 HydrophobicContact CE1-CG2 3.31Å; Y97-L203 HydrophobicContact CD1-CD1 4.34Å; Y97-L203 HydrophobicContact CD1-CD2 4.13Å; Y97-L203 HydrophobicContact CD1-CG 4.39Å; Y97-V224 HydrophobicContact CG-CG2 4.25Å |
| 98 | L | 86.6 | Confident | 85.8 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.7 | -51.6 | 178.8 | -86.9 | -168.3 | 0 | 0 | 0 | 111.3 | R94 E95 T100 D101 E102 V224 F226 | R94-L98 PolarHBondContact O-N 2.95Å; E95-L98 PolarHBondContact O-N 3.17Å; L98-T100 VanDerWaalsContact C-N 3.26Å; L98-T100 PolarHBondContact O-N 3.48Å; L98-D101 PolarHBondContact O-N 3Å; L98-D101 VanDerWaalsContact O-N 3.15Å; L98-E102 WeakPolarHBondContact O-CB 3.47Å; L98-E102 PolarHBondContact O-N 3.47Å; L98-V224 HydrophobicContact CB-CG2 4.41Å; L98-V224 HydrophobicContact CD2-CB 3.72Å; L98-V224 HydrophobicContact CD2-CG2 3.78Å; L98-V224 HydrophobicContact CG-CB 4.07Å; L98-V224 HydrophobicContact CG-CG1 4.44Å; L98-V224 HydrophobicContact CG-CG2 3.92Å; L98-F226 HydrophobicContact CD1-CD2 4.33Å; L98-F226 HydrophobicContact CD1-CE1 4.31Å; L98-F226 HydrophobicContact CD1-CE2 3.2Å; L98-F226 HydrophobicContact CD1-CZ 3.16Å; L98-F226 HydrophobicContact CD2-CD2 4.45Å; L98-F226 HydrophobicContact CD2-CE2 3.73Å; L98-F226 HydrophobicContact CG-CE2 3.52Å; L98-F226 HydrophobicContact CG-CZ 3.91Å |
| 99 | L | 90.9 | Very high | 84.9 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -37.9 | -178.2 | -178.5 | 58.6 | 0 | 0 | 0 | 110.5 | R77 E95 E103 | R77-L99 HydrophobicContact CB-CD2 4.32Å; R77-L99 HydrophobicContact CG-CD2 4.22Å; R77-L99 HydrophobicContact CG-CG 4.39Å; E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.4Å; E95-L99 PolarHBondContact O-N 2.97Å; L99-E103 HydrophobicContact CD1-CG 4.44Å; L99-E103 WeakPolarHBondContact O-CB 3.23Å; L99-E103 VanDerWaalsContact O-CG 3.26Å; L99-E103 WeakPolarHBondContact O-CG 3.2Å; L99-E103 PolarHBondContact O-N 3.42Å |
| 100 | T | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.2 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | Y69 A70 G96 Y97 L98 E103 I104 L203 | Y69-T100 HydrophobicContact CD1-CG2 4.23Å; Y69-T100 HydrophobicContact CE1-CG2 4.3Å; A70-T100 HydrophobicContact CB-CG2 4.49Å; G96-T100 VanDerWaalsContact O-CB 3.23Å; G96-T100 WeakPolarHBondContact O-CB 3.41Å; G96-T100 PolarHBondContact O-N 3.06Å; G96-T100 PolarHBondContact O-OG1 3.18Å; Y97-T100 PolarHBondContact O-N 2.87Å; L98-T100 VanDerWaalsContact C-N 3.26Å; L98-T100 PolarHBondContact O-N 3.48Å; T100-E103 PolarHBondContact O-N 2.99Å; T100-I104 HydrophobicContact CG2-CD1 3.77Å; T100-I104 HydrophobicContact CG2-CG1 4.46Å; T100-I104 WeakPolarHBondContact O-CB 3.28Å; T100-I104 VanDerWaalsContact O-CD1 3.3Å; T100-I104 WeakPolarHBondContact O-CD1 3.39Å; T100-I104 WeakPolarHBondContact O-CG1 3.47Å; T100-I104 PolarHBondContact O-N 3.45Å; T100-L203 HydrophobicContact CG2-CD1 4.33Å |
| 101 | D | 89.9 | Confident | 82.5 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 178.5 | -154.9 | 37.6 | 0 | 0 | 0 | 112.3 | Y97 L98 I104 F105 L203 G204 F206 K209 | Y97-D101 WeakPolarHBondContact O-CB 3.5Å; Y97-D101 PolarHBondContact O-N 3.28Å; L98-D101 PolarHBondContact O-N 3Å; L98-D101 VanDerWaalsContact O-N 3.15Å; D101-I104 PolarHBondContact O-N 3.2Å; D101-F105 PolarHBondContact O-N 3.33Å; D101-L203 HydrophobicContact CB-CD2 3.62Å; D101-L203 VanDerWaalsContact OD1-CA 3.27Å; D101-L203 WeakPolarHBondContact OD1-CA 3.32Å; D101-G204 PolarHBondContact OD1-N 2.98Å; D101-F206 WeakPolarHBondContact O-CZ 3.31Å; D101-K209 VanDerWaalsContact CG-NZ 3.31Å; D101-K209 IonicContact OD1-NZ 2.85Å; D101-K209 PolarHBondContact OD1-NZ 3.43Å; D101-K209 VanDerWaalsContact OD1-NZ 3.11Å; D101-K209 IonicContact OD2-NZ 3.1Å; D101-K209 PolarHBondContact OD2-NZ 3.28Å |
| 102 | E | 88.9 | Confident | 81.4 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 174.6 | -177.1 | 177.8 | -159.3 | 0 | 0 | 111.5 | L98 I104 F105 H106 | L98-E102 WeakPolarHBondContact O-CB 3.47Å; L98-E102 PolarHBondContact O-N 3.47Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.01Å; E102-F105 WeakPolarHBondContact O-CB 3.43Å; E102-F105 PolarHBondContact O-N 3.06Å; E102-F105 VanDerWaalsContact O-N 3.14Å; E102-H106 PolarHBondContact O-CD2 2.77Å; E102-H106 PolarHBondContact O-N 2.71Å |
| 103 | E | 91.7 | Very high | 80.8 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 175.1 | -78.3 | 178.9 | -176.3 | 0 | 0 | 111.3 | Y69 R77 L99 T100 F105 H106 R107 | Y69-E103 HydrophobicContact CE1-CB 4.1Å; Y69-E103 PolarHBondContact OH-OE2 3.21Å; R77-E103 IonicContact CZ-OE1 2.7Å; R77-E103 VanDerWaalsContact CZ-OE1 3.26Å; R77-E103 IonicContact CZ-OE2 3.29Å; R77-E103 VanDerWaalsContact NE-CD 3.35Å; R77-E103 IonicContact NE-OE1 3.56Å; R77-E103 PolarHBondContact NE-OE1 3.03Å; R77-E103 IonicContact NE-OE2 2.68Å; R77-E103 PolarHBondContact NE-OE2 2.96Å; R77-E103 IonicContact NH2-OE1 2.96Å; R77-E103 PolarHBondContact NH2-OE1 3.22Å; R77-E103 IonicContact NH2-OE2 3.11Å; R77-E103 PolarHBondContact NH2-OE2 3.27Å; L99-E103 HydrophobicContact CD1-CG 4.44Å; L99-E103 WeakPolarHBondContact O-CB 3.23Å; L99-E103 VanDerWaalsContact O-CG 3.26Å; L99-E103 WeakPolarHBondContact O-CG 3.2Å; L99-E103 PolarHBondContact O-N 3.42Å; T100-E103 PolarHBondContact O-N 2.99Å; E103-F105 VanDerWaalsContact C-N 3.3Å; E103-F105 PolarHBondContact O-N 3.32Å; E103-H106 PolarHBondContact O-N 3.34Å; E103-R107 WeakPolarHBondContact O-CG 3.41Å; E103-R107 PolarHBondContact O-N 2.86Å |
| 104 | I | 90.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 175.5 | -69.2 | 162.8 | 0 | 0 | 0 | 109.6 | V66 Y69 T100 D101 E102 H106 R107 N110 L203 F206 | V66-I104 HydrophobicContact CG1-CD1 3.9Å; V66-I104 HydrophobicContact CG1-CG2 4.08Å; V66-I104 HydrophobicContact CG2-CG2 4.1Å; Y69-I104 HydrophobicContact CD1-CD1 3.88Å; Y69-I104 HydrophobicContact CD1-CG1 3.34Å; Y69-I104 HydrophobicContact CE1-CG1 3.81Å; Y69-I104 HydrophobicContact CG-CG1 4.04Å; T100-I104 HydrophobicContact CG2-CD1 3.77Å; T100-I104 HydrophobicContact CG2-CG1 4.46Å; T100-I104 WeakPolarHBondContact O-CB 3.28Å; T100-I104 VanDerWaalsContact O-CD1 3.3Å; T100-I104 WeakPolarHBondContact O-CD1 3.39Å; T100-I104 WeakPolarHBondContact O-CG1 3.47Å; T100-I104 PolarHBondContact O-N 3.45Å; D101-I104 PolarHBondContact O-N 3.2Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.01Å; I104-H106 PolarHBondContact O-N 3.44Å; I104-R107 PolarHBondContact O-N 2.85Å; I104-R107 VanDerWaalsContact O-N 3.13Å; I104-N110 WeakPolarHBondContact CG2-ND2 3.36Å; I104-N110 PolarHBondContact O-ND2 2.91Å; I104-L203 HydrophobicContact CD1-CB 4.31Å; I104-F206 HydrophobicContact CB-CE2 4.49Å; I104-F206 HydrophobicContact CB-CZ 4.01Å; I104-F206 HydrophobicContact CG2-CE2 3.67Å; I104-F206 HydrophobicContact CG2-CZ 3.58Å |
| 105 | F | 87.6 | Confident | 81.2 | Confident | 110 Ų | 110 | 62.7 Ų | 62.7 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.7 | -37.2 | 178.9 | -179.2 | -109.8 | 0 | 0 | 0 | 113.1 | D101 E102 E103 F206 | D101-F105 PolarHBondContact O-N 3.33Å; E102-F105 WeakPolarHBondContact O-CB 3.43Å; E102-F105 PolarHBondContact O-N 3.06Å; E102-F105 VanDerWaalsContact O-N 3.14Å; E103-F105 VanDerWaalsContact C-N 3.3Å; E103-F105 PolarHBondContact O-N 3.32Å; F105-F206 VanDerWaalsContact CA-CE2 3.45Å; F105-F206 HydrophobicContact CB-CD1 4.13Å; F105-F206 HydrophobicContact CB-CE1 3.59Å; F105-F206 HydrophobicContact CB-CE2 4.08Å; F105-F206 HydrophobicContact CB-CZ 3.57Å; F105-F206 HydrophobicContact CD2-CB 4.01Å; F105-F206 AromaticContact CD2-CD1 3.53Å; F105-F206 HydrophobicContact CD2-CD1 3.53Å; F105-F206 AromaticContact CD2-CD2 3.93Å; F105-F206 HydrophobicContact CD2-CD2 3.93Å; F105-F206 AromaticContact CD2-CE1 3.92Å; F105-F206 HydrophobicContact CD2-CE1 3.92Å; F105-F206 HydrophobicContact CD2-CE2 4.26Å; F105-F206 AromaticContact CD2-CG 3.54Å; F105-F206 HydrophobicContact CD2-CG 3.54Å; F105-F206 HydrophobicContact CD2-CZ 4.27Å; F105-F206 HydrophobicContact CE2-CB 4.22Å; F105-F206 HydrophobicContact CE2-CD1 4.39Å; F105-F206 HydrophobicContact CE2-CG 4.25Å; F105-F206 HydrophobicContact CG-CD1 4.25Å; F105-F206 HydrophobicContact CG-CE1 4.21Å; F105-F206 HydrophobicContact CG-CZ 4.44Å |
| 106 | H | 86.7 | Confident | 81.5 | Confident | 132 Ų | 132 | 59.8 Ų | 59.8 | 61% | 0.611 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.4 | -177.7 | -69.5 | -57.1 | 0 | 0 | 0 | 115 | E102 E103 I104 | E102-H106 PolarHBondContact O-CD2 2.77Å; E102-H106 PolarHBondContact O-N 2.71Å; E103-H106 PolarHBondContact O-N 3.34Å; I104-H106 PolarHBondContact O-N 3.44Å |
| 107 | R | 83.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 59.8 Ų | 59.8 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | trans | -82.3 | 134.1 | 177.8 | -62 | 176.3 | 60.7 | 79.5 | 2.1 | 112.5 | E103 I104 D109 N110 | E103-R107 WeakPolarHBondContact O-CG 3.41Å; E103-R107 PolarHBondContact O-N 2.86Å; I104-R107 PolarHBondContact O-N 2.85Å; I104-R107 VanDerWaalsContact O-N 3.13Å; R107-D109 VanDerWaalsContact C-N 3.27Å; R107-D109 WeakPolarHBondContact CB-OD1 3.43Å; R107-D109 IonicContact CZ-OD1 3.26Å; R107-D109 IonicContact CZ-OD2 3.04Å; R107-D109 IonicContact NE-OD1 2.93Å; R107-D109 PolarHBondContact NE-OD1 2.73Å; R107-D109 IonicContact NE-OD2 3.22Å; R107-D109 IonicContact NH2-OD1 2.69Å; R107-D109 PolarHBondContact NH2-OD1 3.04Å; R107-D109 IonicContact NH2-OD2 2.73Å; R107-D109 PolarHBondContact NH2-OD2 3.22Å; R107-D109 PolarHBondContact O-N 2.8Å; R107-N110 PolarHBondContact O-N 3.29Å | ||
| 108 | E | 61.5 | Low | 81.9 | Confident | 194 Ų | 194 | 59.7 Ų | 59.7 | 91% | 0.907 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.8 | 178.9 | -64.3 | -175.9 | 167 | 0 | 0 | 113.8 | N110 | E108-N110 VanDerWaalsContact C-N 3.27Å; E108-N110 PolarHBondContact O-N 2.65Å |
| 109 | D | 66.6 | Low | 82.3 | Confident | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.8 | -179.3 | 60.6 | -9.2 | 0 | 0 | 0 | 113.8 | R107 A111 | R107-D109 VanDerWaalsContact C-N 3.27Å; R107-D109 WeakPolarHBondContact CB-OD1 3.43Å; R107-D109 IonicContact CZ-OD1 3.26Å; R107-D109 IonicContact CZ-OD2 3.04Å; R107-D109 IonicContact NE-OD1 2.93Å; R107-D109 PolarHBondContact NE-OD1 2.73Å; R107-D109 IonicContact NE-OD2 3.22Å; R107-D109 IonicContact NH2-OD1 2.69Å; R107-D109 PolarHBondContact NH2-OD1 3.04Å; R107-D109 IonicContact NH2-OD2 2.73Å; R107-D109 PolarHBondContact NH2-OD2 3.22Å; R107-D109 PolarHBondContact O-N 2.8Å; D109-A111 PolarHBondContact O-N 3.13Å |
| 110 | N | 61.5 | Low | 82.4 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | trans | -81.6 | 37.6 | 174.6 | -78.4 | -36.5 | 0 | 0 | 0 | 113.9 | I104 R107 E108 G112 H113 | I104-N110 WeakPolarHBondContact CG2-ND2 3.36Å; I104-N110 PolarHBondContact O-ND2 2.91Å; R107-N110 PolarHBondContact O-N 3.29Å; E108-N110 VanDerWaalsContact C-N 3.27Å; E108-N110 PolarHBondContact O-N 2.65Å; N110-G112 PolarHBondContact O-N 3.07Å; N110-H113 PolarHBondContact O-N 3.24Å | ||
| 111 | A | 48.7 | Very low | 82.5 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 74% | 0.736 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -13 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D109 | D109-A111 PolarHBondContact O-N 3.13Š|
| 112 | G | 59 | Low | 82.6 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -24.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N110 M114 | N110-G112 PolarHBondContact O-N 3.07Å; G112-M114 PolarHBondContact O-N 3.04Å |
| 113 | H | 75.5 | Confident | 82.8 | Confident | 83 Ų | 83 | 47.4 Ų | 47.4 | 38% | 0.384 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 49.5 | -11.2 | -169 | -62.9 | -52.2 | 0 | 0 | 0 | 117.5 | N110 D205 F206 M207 R210 | N110-H113 PolarHBondContact O-N 3.24Å; H113-D205 CarbonylContact O-C 3.6Å; H113-F206 PolarHBondContact O-N 2.83Å; H113-F206 VanDerWaalsContact O-N 3.17Å; H113-M207 HydrophobicContact CB-CB 4.35Å; H113-M207 WeakPolarHBondContact O-CB 3.34Å; H113-M207 PolarHBondContact O-N 3.45Å; H113-R210 PolarHBondContact CD2-NH2 2.92Å; H113-R210 PolarHBondContact CE1-NH2 2.64Å; H113-R210 PolarHBondContact ND1-NH2 2.85Å; H113-R210 PolarHBondContact NE2-NH2 2.96Å; H113-R210 VanDerWaalsContact NE2-NH2 3.16Å |
| 114 | M | 84.8 | Confident | 82.8 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -116.7 | 6.8 | 178.3 | -56 | -175.8 | -63.6 | 0 | 0 | 111.3 | G112 M207 | G112-M114 PolarHBondContact O-N 3.04Å; M114-M207 HydrophobicContact CG-CB 4.33Å; M114-M207 HydrophobicContact CG-CE 3.61Å; M114-M207 HydrophobicContact CG-SD 3.81Å; M114-M207 HydrophobicContact SD-CE 3.85Å; M114-M207 HydrophobicContact SD-SD 3.95Å |
| 115 | T | 91.2 | Very high | 82.8 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | trans | -83.6 | 132.1 | 170.4 | -50.6 | 0 | 0 | 0 | 0 | 107.9 | H61 G62 G63 V66 D205 | H61-T115 CarbonylContact O-C 3.53Å; H61-T115 VanDerWaalsContact O-CA 3.29Å; H61-T115 WeakPolarHBondContact O-CA 3.32Å; H61-T115 WeakPolarHBondContact O-CG2 3.34Å; G62-T115 WeakPolarHBondContact O-CG2 3.38Å; G62-T115 PolarHBondContact O-OG1 3Å; G63-T115 VanDerWaalsContact O-CG2 3.26Å; G63-T115 WeakPolarHBondContact O-CG2 3.43Å; V66-T115 HydrophobicContact CB-CG2 4.38Å; V66-T115 HydrophobicContact CG2-CG2 3.67Å; T115-D205 PolarHBondContact O-N 3.33Å | ||
| 116 | G | 93.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H61 L203 | H61-G116 VanDerWaalsContact CE1-C 3.47Å; H61-G116 PolarHBondContact N-O 3.45Å; H61-G116 WeakPolarHBondContact NE2-CA 3.37Å; H61-G116 PolarHBondContact O-N 3.08Å; G116-L203 CarbonylContact C-O 3.57Å; G116-L203 WeakPolarHBondContact CA-O 3.26Å |
| 117 | T | 95.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 145.9 | 172.9 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | D59 V66 A67 A70 A202 L203 | D59-T117 VanDerWaalsContact C-OG1 3.23Å; D59-T117 CarbonylContact O-C 3.57Å; D59-T117 WeakPolarHBondContact O-CA 3.21Å; D59-T117 WeakPolarHBondContact O-CB 3.47Å; D59-T117 PolarHBondContact O-OG1 2.93Å; V66-T117 HydrophobicContact CB-CG2 4.29Å; V66-T117 HydrophobicContact CG1-CG2 3.57Å; A67-T117 WeakPolarHBondContact CB-OG1 3.46Å; A70-T117 HydrophobicContact CB-CG2 4.16Å; T117-A202 WeakPolarHBondContact O-CA 3.33Å; T117-L203 HydrophobicContact CG2-CB 3.97Å; T117-L203 HydrophobicContact CG2-CD1 4.4Å; T117-L203 PolarHBondContact N-O 2.92Å; T117-L203 PolarHBondContact O-N 3.4Å |
| 118 | T | 94.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -70.9 | 163.9 | 158.6 | 78.4 | 0 | 0 | 0 | 0 | 109.7 | Y58 D59 V150 D152 S153 M199 | Y58-T118 WeakPolarHBondContact CA-O 3.44Å; D59-T118 HydrophobicContact CB-CG2 4.07Å; D59-T118 WeakPolarHBondContact CB-OG1 3.09Å; D59-T118 PolarHBondContact N-OG1 2.95Å; D59-T118 VanDerWaalsContact N-OG1 3.16Å; D59-T118 PolarHBondContact O-N 2.65Å; T118-V150 CarbonylContact C-O 3.51Å; T118-V150 WeakPolarHBondContact CA-O 3.11Å; T118-V150 VanDerWaalsContact CB-O 3.23Å; T118-V150 WeakPolarHBondContact CB-O 3.45Å; T118-D152 WeakPolarHBondContact CG2-OD1 3.45Å; T118-S153 PolarHBondContact OG1-OG 2.98Å; T118-M199 HydrophobicContact CG2-CE 3.99Å; T118-M199 HydrophobicContact CG2-SD 3.6Å | ||
| 119 | A | 94.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 107.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y58 L74 Y97 N149 V150 L203 | Y58-A119 HydrophobicContact CD1-CB 3.63Å; Y58-A119 HydrophobicContact CE1-CB 3.79Å; L74-A119 HydrophobicContact CD2-CB 4.48Å; Y97-A119 HydrophobicContact CE1-CB 3.66Å; Y97-A119 PolarHBondContact OH-O 3.04Å; A119-N149 CarbonylContact O-C 3.5Å; A119-N149 VanDerWaalsContact O-CA 3.27Å; A119-N149 WeakPolarHBondContact O-CA 3.21Å; A119-V150 PolarHBondContact N-O 3.36Å; A119-V150 PolarHBondContact O-N 2.87Å; A119-L203 HydrophobicContact CB-CD1 4.23Å |
| 120 | V | 93.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.4 | 167.2 | 66.5 | 0 | 0 | 0 | 0 | 109.1 | G56 V57 G148 N149 S153 A155 T167 L260 | G56-V120 CarbonylContact C-O 3.53Å; G56-V120 VanDerWaalsContact CA-O 3.22Å; G56-V120 WeakPolarHBondContact CA-O 3.34Å; V57-V120 HydrophobicContact CB-CG1 3.87Å; V57-V120 PolarHBondContact N-O 3Å; V57-V120 PolarHBondContact O-N 3.44Å; V120-G148 CarbonylContact C-O 3.54Å; V120-G148 WeakPolarHBondContact CA-O 3.49Å; V120-N149 HydrophobicContact CG2-CB 4.4Å; V120-S153 VanDerWaalsContact CG1-CB 3.46Å; V120-A155 HydrophobicContact CG2-CB 3.8Å; V120-T167 HydrophobicContact CG2-CG2 3.97Å; V120-L260 HydrophobicContact CG1-CB 4.44Å |
| 121 | V | 93.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.9 | -177.8 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | F54 F55 L74 Y97 L123 G148 | F54-V121 HydrophobicContact CE1-CB 4.4Å; F54-V121 HydrophobicContact CE1-CG1 4.16Å; F54-V121 HydrophobicContact CE2-CB 4.14Å; F54-V121 HydrophobicContact CE2-CG1 4.37Å; F54-V121 HydrophobicContact CE2-CG2 4.45Å; F54-V121 HydrophobicContact CZ-CB 3.74Å; F54-V121 HydrophobicContact CZ-CG1 3.55Å; F54-V121 HydrophobicContact CZ-CG2 4.41Å; F55-V121 CarbonylContact O-C 3.51Å; F55-V121 VanDerWaalsContact O-CA 3.23Å; F55-V121 WeakPolarHBondContact O-CA 3.23Å; L74-V121 HydrophobicContact CD2-CG1 3.87Å; Y97-V121 HydrophobicContact CE2-CG2 3.95Å; Y97-V121 WeakPolarHBondContact OH-CG2 3.22Å; V121-L123 HydrophobicContact CB-CD1 4.41Å; V121-L123 HydrophobicContact CG2-CD1 3.87Å; V121-G148 PolarHBondContact N-O 3.2Å |
| 122 | V | 92 | Very high | 85.9 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.4 | 173 | 170.8 | 0 | 0 | 0 | 0 | 107.8 | F55 I124 L129 C131 A155 L166 V258 L260 | F55-V122 PolarHBondContact N-O 2.96Å; F55-V122 PolarHBondContact O-N 3.31Å; V122-I124 HydrophobicContact CG1-CD1 4.34Å; V122-I124 HydrophobicContact CG1-CG1 3.94Å; V122-L129 HydrophobicContact CG1-CD1 3.9Å; V122-L129 HydrophobicContact CG1-CD2 3.85Å; V122-L129 HydrophobicContact CG1-CG 3.61Å; V122-C131 HydrophobicContact CG2-CB 4.38Å; V122-A155 HydrophobicContact CG2-CB 3.9Å; V122-L166 HydrophobicContact CG2-CD1 4.46Å; V122-V258 HydrophobicContact CG2-CG1 4.31Å; V122-L260 HydrophobicContact CB-CD1 4.32Å; V122-L260 HydrophobicContact CB-CD2 4.05Å; V122-L260 HydrophobicContact CG2-CD1 4.05Å; V122-L260 HydrophobicContact CG2-CD2 3.78Å; V122-L260 HydrophobicContact CG2-CG 3.98Å |
| 123 | L | 92.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.5 | 171.9 | -72.3 | 80.3 | 0 | 0 | 0 | 108.3 | L52 S53 F54 I78 I93 V121 L129 Y130 | L52-L123 HydrophobicContact CD1-CB 3.94Å; L52-L123 HydrophobicContact CD1-CD2 4.08Å; L52-L123 HydrophobicContact CD1-CG 4.28Å; L52-L123 HydrophobicContact CD2-CD2 4.27Å; S53-L123 WeakPolarHBondContact O-CA 3.43Å; F54-L123 HydrophobicContact CD2-CD1 3.8Å; F54-L123 HydrophobicContact CD2-CD2 4.13Å; F54-L123 HydrophobicContact CD2-CG 3.64Å; F54-L123 HydrophobicContact CE2-CD1 3.68Å; F54-L123 HydrophobicContact CE2-CD2 4.48Å; F54-L123 HydrophobicContact CE2-CG 4.05Å; I78-L123 HydrophobicContact CG2-CD2 3.95Å; I93-L123 HydrophobicContact CD1-CD1 3.92Å; I93-L123 HydrophobicContact CD1-CD2 4.31Å; I93-L123 HydrophobicContact CG1-CD1 4.08Å; I93-L123 HydrophobicContact CG1-CD2 4.14Å; V121-L123 HydrophobicContact CB-CD1 4.41Å; V121-L123 HydrophobicContact CG2-CD1 3.87Å; L123-L129 CarbonylContact O-C 3.46Å; L123-L129 WeakPolarHBondContact O-CA 3.45Å; L123-Y130 PolarHBondContact N-O 2.83Å; L123-Y130 VanDerWaalsContact N-O 3.13Å; L123-Y130 PolarHBondContact O-N 3.13Å |
| 124 | I | 92.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 120.6 | 173.8 | -46.4 | 178 | 0 | 0 | 0 | 108.6 | Y22 S53 F55 V122 V128 L129 L251 L321 | Y22-I124 HydrophobicContact CE1-CD1 4.05Å; Y22-I124 WeakPolarHBondContact OH-CG2 3.28Å; S53-I124 PolarHBondContact N-O 3.38Å; S53-I124 PolarHBondContact O-N 2.91Å; F55-I124 HydrophobicContact CE2-CD1 4.16Å; V122-I124 HydrophobicContact CG1-CD1 4.34Å; V122-I124 HydrophobicContact CG1-CG1 3.94Å; I124-V128 WeakPolarHBondContact CA-O 3.38Å; I124-L129 HydrophobicContact CD1-CD1 4.5Å; I124-L129 HydrophobicContact CG1-CB 4.36Å; I124-L129 HydrophobicContact CG1-CG 4.18Å; I124-L251 HydrophobicContact CG2-CD1 3.66Å; I124-L321 HydrophobicContact CD1-CD2 4.42Å |
| 125 | K | 89.8 | Confident | 82 | Confident | 42 Ų | 42 | 24.5 Ų | 24.5 | 18% | 0.183 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 132.3 | 178.6 | 178.3 | 169.1 | 179.4 | 168.7 | 0 | 109.1 | D49 L52 Y84 G127 V128 Y130 | D49-K125 WeakPolarHBondContact OD2-CE 2.85Å; D49-K125 IonicContact OD2-NZ 3.39Å; D49-K125 PolarHBondContact OD2-NZ 2.72Å; L52-K125 HydrophobicContact CD1-CB 3.97Å; Y84-K125 PolarHBondContact OH-NZ 3.02Å; K125-G127 VanDerWaalsContact C-N 3.25Å; K125-G127 PolarHBondContact O-N 2.83Å; K125-G127 VanDerWaalsContact O-N 3.16Å; K125-V128 PolarHBondContact N-O 2.69Å; K125-V128 WeakPolarHBondContact O-CA 3.39Å; K125-V128 VanDerWaalsContact O-CB 3.31Å; K125-V128 WeakPolarHBondContact O-CB 3.34Å; K125-V128 PolarHBondContact O-N 2.85Å; K125-Y130 HydrophobicContact CB-CE2 4.36Å |
| 126 | D | 86.7 | Confident | 79.7 | Confident | 134 Ų | 134 | 27 Ų | 27 | 72% | 0.717 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 39.4 | 176.3 | -55 | -41.2 | 0 | 0 | 0 | 114.3 | V128 | D126-V128 PolarHBondContact O-N 2.65Š|
| 127 | G | 84.4 | Confident | 76.9 | Confident | 35 Ų | 35 | 32.2 Ų | 32.2 | 36% | 0.361 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K125 L251 | K125-G127 VanDerWaalsContact C-N 3.25Å; K125-G127 PolarHBondContact O-N 2.83Å; K125-G127 VanDerWaalsContact O-N 3.16Å; G127-L251 VanDerWaalsContact O-CB 3.28Å; G127-L251 WeakPolarHBondContact O-CB 3.36Å; G127-L251 WeakPolarHBondContact O-CG 3.34Å; G127-L251 PolarHBondContact O-N 3.21Å |
| 128 | V | 86.4 | Confident | 74.1 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.085 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.4 | -178.9 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | I124 K125 D126 Y130 C248 | I124-V128 WeakPolarHBondContact CA-O 3.38Å; K125-V128 PolarHBondContact N-O 2.69Å; K125-V128 WeakPolarHBondContact O-CA 3.39Å; K125-V128 VanDerWaalsContact O-CB 3.31Å; K125-V128 WeakPolarHBondContact O-CB 3.34Å; K125-V128 PolarHBondContact O-N 2.85Å; D126-V128 PolarHBondContact O-N 2.65Å; V128-Y130 HydrophobicContact CB-CE2 3.76Å; V128-Y130 HydrophobicContact CG1-CD2 4.23Å; V128-Y130 HydrophobicContact CG1-CE1 3.92Å; V128-Y130 HydrophobicContact CG1-CE2 3.61Å; V128-Y130 VanDerWaalsContact CG1-CZ 3.43Å; V128-Y130 WeakPolarHBondContact O-CD2 3.47Å; V128-Y130 WeakPolarHBondContact O-CE2 3.19Å; V128-C248 HydrophobicContact CG1-CB 3.23Å |
| 129 | L | 86.6 | Confident | 71.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.2 | 176.2 | -176.7 | 168.3 | 0 | 0 | 0 | 109.8 | V122 L123 I124 C131 L166 C248 W249 L251 V258 | V122-L129 HydrophobicContact CG1-CD1 3.9Å; V122-L129 HydrophobicContact CG1-CD2 3.85Å; V122-L129 HydrophobicContact CG1-CG 3.61Å; L123-L129 CarbonylContact O-C 3.46Å; L123-L129 WeakPolarHBondContact O-CA 3.45Å; I124-L129 HydrophobicContact CD1-CD1 4.5Å; I124-L129 HydrophobicContact CG1-CB 4.36Å; I124-L129 HydrophobicContact CG1-CG 4.18Å; L129-C131 HydrophobicContact CD2-CB 3.75Å; L129-C131 VanDerWaalsContact CD2-SG 3.58Å; L129-L166 HydrophobicContact CD1-CD1 3.95Å; L129-L166 HydrophobicContact CD2-CD1 3.9Å; L129-L166 HydrophobicContact CD2-CD2 4.2Å; L129-C248 CarbonylContact O-C 3.52Å; L129-C248 WeakPolarHBondContact O-CA 3.14Å; L129-W249 HydrophobicContact CB-CB 4.1Å; L129-W249 WeakPolarHBondContact CB-O 3.43Å; L129-W249 HydrophobicContact CD2-CB 4.36Å; L129-W249 PolarHBondContact N-O 2.6Å; L129-W249 PolarHBondContact O-N 2.8Å; L129-L251 HydrophobicContact CB-CD2 4.28Å; L129-L251 HydrophobicContact CB-CG 4.41Å; L129-L251 HydrophobicContact CD1-CD2 4.25Å; L129-V258 HydrophobicContact CD1-CG2 3.66Å |
| 130 | Y | 83.3 | Confident | 68.8 | Low | 39 Ų | 39 | 49.8 Ų | 49.8 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.5 | 178.3 | -56.6 | -93.6 | 0 | 0 | 0 | 110.8 | I89 L123 K125 V128 V246 C248 | I89-Y130 HydrophobicContact CB-CD1 4.07Å; I89-Y130 HydrophobicContact CB-CE1 3.88Å; I89-Y130 HydrophobicContact CB-CG 4.48Å; I89-Y130 HydrophobicContact CG1-CE1 4.24Å; I89-Y130 HydrophobicContact CG1-CE2 4.43Å; I89-Y130 HydrophobicContact CG2-CD1 3.87Å; I89-Y130 HydrophobicContact CG2-CD2 3.99Å; I89-Y130 HydrophobicContact CG2-CE1 4.11Å; I89-Y130 HydrophobicContact CG2-CE2 4.22Å; I89-Y130 HydrophobicContact CG2-CG 3.81Å; L123-Y130 PolarHBondContact N-O 2.83Å; L123-Y130 VanDerWaalsContact N-O 3.13Å; L123-Y130 PolarHBondContact O-N 3.13Å; K125-Y130 HydrophobicContact CB-CE2 4.36Å; V128-Y130 HydrophobicContact CB-CE2 3.76Å; V128-Y130 HydrophobicContact CG1-CD2 4.23Å; V128-Y130 HydrophobicContact CG1-CE1 3.92Å; V128-Y130 HydrophobicContact CG1-CE2 3.61Å; V128-Y130 VanDerWaalsContact CG1-CZ 3.43Å; V128-Y130 WeakPolarHBondContact O-CD2 3.47Å; V128-Y130 WeakPolarHBondContact O-CE2 3.19Å; Y130-V246 HydrophobicContact CD1-CG1 3.92Å; Y130-V246 HydrophobicContact CE1-CG1 4.22Å; Y130-C248 HydrophobicContact CD1-CB 4.06Å; Y130-C248 HydrophobicContact CE1-CB 4.04Å |
| 131 | C | 70.2 | Confident | 66.3 | Low | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.054 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -150.5 | -20.2 | -179.5 | 62.1 | 0 | 0 | 0 | 0 | 114 | V122 L129 G148 L166 T167 | V122-C131 HydrophobicContact CG2-CB 4.38Å; L129-C131 HydrophobicContact CD2-CB 3.75Å; L129-C131 VanDerWaalsContact CD2-SG 3.58Å; C131-G148 PolarHBondContact O-N 2.76Å; C131-L166 HydrophobicContact CB-CB 4.22Å; C131-L166 VanDerWaalsContact SG-CB 3.57Å; C131-L166 PolarHBondContact SG-O 3.49Å; C131-T167 HydrophobicContact CB-CG2 4.5Å |
| 132 | R | 64.5 | Low | 63.6 | Low | 69 Ų | 69 | 60.1 Ų | 60.1 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -159.9 | 137.2 | -175.3 | 175.5 | -179.8 | -176.4 | -171.1 | 2.9 | 110.1 | L145 Q147 L166 C247 | R132-L145 HydrophobicContact CG-CD2 4.4Å; R132-Q147 HydrophobicContact CG-CG 4.47Å; R132-L166 WeakPolarHBondContact CB-O 3.43Å; R132-C247 CarbonylContact O-C 3.44Å; R132-C247 WeakPolarHBondContact O-CA 3.13Å; R132-C247 WeakPolarHBondContact O-CB 3.08Å |
| 133 | K | 52.3 | Low | 61.4 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | trans | -96.7 | 114.1 | 163.1 | -179.8 | 174.9 | 176.4 | 118.7 | 0 | 109.6 | L145 F146 P244 D245 | K133-L145 WeakPolarHBondContact O-CB 3.46Å; K133-L145 WeakPolarHBondContact O-CD2 3.37Å; K133-L145 WeakPolarHBondContact O-CG 3.38Å; K133-F146 HydrophobicContact CB-CB 4.08Å; K133-F146 HydrophobicContact CB-CD2 4.5Å; K133-F146 HydrophobicContact CD-CD2 3.53Å; K133-F146 HydrophobicContact CD-CE2 4.11Å; K133-F146 HydrophobicContact CD-CG 4.49Å; K133-F146 PolarHBondContact N-O 3.19Å; K133-P244 PolarHBondContact NZ-O 3.06Å; K133-D245 VanDerWaalsContact CD-O 3.25Å; K133-D245 WeakPolarHBondContact CD-O 3.46Å; K133-D245 WeakPolarHBondContact CE-O 3.44Å; K133-D245 WeakPolarHBondContact CG-O 3.46Å; K133-D245 PolarHBondContact NZ-O 3.32Å | ||
| 134 | F | 46 | Very low | 59.1 | Low | 76 Ų | 76 | 67.7 Ų | 67.7 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | trans | -94.7 | 143.1 | 161.1 | -158.3 | -105.4 | 0 | 0 | 0 | 106.3 | L145 C247 W351 | F134-L145 HydrophobicContact CD2-CD2 4.01Å; F134-C247 HydrophobicContact CB-CB 4.19Å; F134-C247 WeakPolarHBondContact CB-SG 3.27Å; F134-C247 VanDerWaalsContact N-CB 3.28Å; F134-C247 PolarHBondContact N-SG 3.11Å; F134-C247 PolarHBondContact O-SG 2.99Å; F134-C247 VanDerWaalsContact O-SG 3.34Å; F134-W351 WeakPolarHBondContact O-CH2 3.42Å | ||
| 135 | L | 40.2 | Very low | 56.7 | Low | 65 Ų | 65 | 69.7 Ų | 69.7 | 34% | 0.34 | 39% | 0.387 | S | S | . | . | trans | -112.9 | 127.3 | 168.5 | -94.2 | 156.9 | 0 | 0 | 0 | 106 | K143 D245 | L135-K143 HydrophobicContact CD1-CB 4.25Å; L135-K143 VanDerWaalsContact CD1-O 3.23Å; L135-K143 WeakPolarHBondContact CD1-O 3.49Å; L135-D245 HydrophobicContact CD2-CB 4.36Å | ||
| 136 | V | 41.1 | Very low | 54.6 | Low | 72 Ų | 72 | 69 Ų | 69 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | trans | -77.7 | 132 | 168.7 | -153.8 | 0 | 0 | 0 | 0 | 107.6 | L138 W351 | V136-L138 PolarHBondContact O-N 3.25Å; V136-W351 HydrophobicContact CG2-CD2 4.22Å; V136-W351 HydrophobicContact CG2-CH2 3.85Å; V136-W351 HydrophobicContact CG2-CZ2 3.04Å | ||
| 137 | N | 36.1 | Very low | 53.2 | Low | 110 Ų | 110 | 63.7 Ų | 63.7 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | trans | -63.8 | 96.8 | 176.4 | -91.3 | -33.9 | 0 | 0 | 0 | 111.3 | D142 | N137-D142 PolarHBondContact OD1-OD1 3.44Š| ||
| 138 | L | 35.9 | Very low | 52.3 | Low | 159 Ų | 159 | 62.1 Ų | 62.1 | 83% | 0.832 | 34% | 0.339 | S | S | * | . | trans | -84.5 | 99.5 | 145.7 | -80.1 | 167.2 | 0 | 0 | 0 | 106.6 | V136 | V136-L138 PolarHBondContact O-N 3.25Š| ||
| 139 | V | 40.2 | Very low | 52.2 | Low | 140 Ų | 140 | 61.5 Ų | 61.5 | 85% | 0.848 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 30.7 | 102.2 | 164.2 | -172.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 140 | G | 37.5 | Very low | 52.3 | Low | 69 Ų | 69 | 61.8 Ų | 61.8 | 71% | 0.711 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 92.4 | 10.9 | 149 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 141 | V | 40.1 | Very low | 52.7 | Low | 79 Ų | 79 | 59.9 Ų | 59.9 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | trans | -138.9 | 91.8 | 172.4 | -143.6 | 0 | 0 | 0 | 0 | 110.9 | K143 | V141-K143 HydrophobicContact CG1-CD 3.97Å; V141-K143 HydrophobicContact CG1-CG 3.9Å; V141-K143 PolarHBondContact O-N 3.1Å | ||
| 142 | D | 37.1 | Very low | 53.7 | Low | 138 Ų | 138 | 59.5 Ų | 59.5 | 74% | 0.738 | 33% | 0.327 | S | S | * | . | trans | -68.5 | 83.4 | 166.4 | -70.7 | -41.1 | 0 | 0 | 0 | 108.7 | N137 | N137-D142 PolarHBondContact OD1-OD1 3.44Š| ||
| 143 | K | 45.1 | Very low | 55.1 | Low | 112 Ų | 112 | 56.2 Ų | 56.2 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 128.2 | 170.3 | -84.4 | 176.1 | 179.7 | 179.1 | 0 | 109.9 | L135 V141 | L135-K143 HydrophobicContact CD1-CB 4.25Å; L135-K143 VanDerWaalsContact CD1-O 3.23Å; L135-K143 WeakPolarHBondContact CD1-O 3.49Å; V141-K143 HydrophobicContact CG1-CD 3.97Å; V141-K143 HydrophobicContact CG1-CG 3.9Å; V141-K143 PolarHBondContact O-N 3.1Å |
| 144 | L | 45.2 | Very low | 57.1 | Low | 48 Ų | 48 | 57.7 Ų | 57.7 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 145.9 | -158.3 | -160.5 | 63.2 | 0 | 0 | 0 | 114.5 | F146 T225 F226 | L144-F146 PolarHBondContact O-N 2.93Å; L144-T225 HydrophobicContact CD2-CG2 3.53Å; L144-T225 HydrophobicContact CG-CG2 4.03Å; L144-F226 WeakPolarHBondContact CD2-O 3.12Å |
| 145 | L | 42.6 | Very low | 59.4 | Low | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -68 | 121.1 | 177.3 | -69.5 | 98.3 | 0 | 0 | 0 | 111.7 | R132 K133 F134 T225 | R132-L145 HydrophobicContact CG-CD2 4.4Å; K133-L145 WeakPolarHBondContact O-CB 3.46Å; K133-L145 WeakPolarHBondContact O-CD2 3.37Å; K133-L145 WeakPolarHBondContact O-CG 3.38Å; F134-L145 HydrophobicContact CD2-CD2 4.01Å; L145-T225 PolarHBondContact O-OG1 3.48Å; L145-T225 VanDerWaalsContact O-OG1 3.1Å |
| 146 | F | 45 | Very low | 62 | Low | 29 Ų | 29 | 51 Ų | 51 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 139.8 | 156 | -60 | -55.3 | 0 | 0 | 0 | 109.1 | R94 K133 L144 T225 | R94-F146 HydrophobicContact CB-CD1 3.96Å; R94-F146 HydrophobicContact CB-CE1 4.21Å; R94-F146 HydrophobicContact CB-CG 4.42Å; R94-F146 HydrophobicContact CG-CD1 3.79Å; R94-F146 HydrophobicContact CG-CE1 3.65Å; R94-F146 HydrophobicContact CG-CZ 4.38Å; K133-F146 HydrophobicContact CB-CB 4.08Å; K133-F146 HydrophobicContact CB-CD2 4.5Å; K133-F146 HydrophobicContact CD-CD2 3.53Å; K133-F146 HydrophobicContact CD-CE2 4.11Å; K133-F146 HydrophobicContact CD-CG 4.49Å; K133-F146 PolarHBondContact N-O 3.19Å; L144-F146 PolarHBondContact O-N 2.93Å; F146-T225 VanDerWaalsContact CE1-O 3.25Å; F146-T225 WeakPolarHBondContact CE1-O 3.43Å |
| 147 | Q | 57.2 | Low | 64.5 | Low | 21 Ų | 21 | 47.6 Ų | 47.6 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 136.4 | 169.8 | -59.7 | -172.1 | 34.3 | 0 | 0 | 106.9 | R132 N149 V168 H170 | R132-Q147 HydrophobicContact CG-CG 4.47Å; Q147-N149 HydrophobicContact CB-CB 3.95Å; Q147-N149 WeakPolarHBondContact CB-O 3.42Å; Q147-N149 PolarHBondContact O-N 3.38Å; Q147-V168 PolarHBondContact OE1-O 2.81Å; Q147-V168 VanDerWaalsContact OE1-O 3.05Å; Q147-H170 VanDerWaalsContact CD-NE2 3.28Å; Q147-H170 PolarHBondContact NE2-NE2 2.91Å; Q147-H170 PolarHBondContact OE1-CE1 2.82Å; Q147-H170 PolarHBondContact OE1-NE2 2.96Å |
| 148 | G | 65.6 | Low | 67.4 | Low | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -67.6 | 32.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y97 V120 V121 C131 | Y97-G148 VanDerWaalsContact OH-C 3.25Å; Y97-G148 PolarHBondContact OH-O 3.09Å; V120-G148 CarbonylContact C-O 3.54Å; V120-G148 WeakPolarHBondContact CA-O 3.49Å; V121-G148 PolarHBondContact N-O 3.2Å; C131-G148 PolarHBondContact O-N 2.76Å |
| 149 | N | 84.6 | Confident | 70.2 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 131.5 | 179.4 | -176.2 | 45.3 | 0 | 0 | 0 | 108.6 | A119 V120 Q147 G151 S153 T167 V168 H170 | A119-N149 CarbonylContact O-C 3.5Å; A119-N149 VanDerWaalsContact O-CA 3.27Å; A119-N149 WeakPolarHBondContact O-CA 3.21Å; V120-N149 HydrophobicContact CG2-CB 4.4Å; Q147-N149 HydrophobicContact CB-CB 3.95Å; Q147-N149 WeakPolarHBondContact CB-O 3.42Å; Q147-N149 PolarHBondContact O-N 3.38Å; N149-G151 PolarHBondContact ND2-O 3.25Å; N149-G151 VanDerWaalsContact ND2-O 3.11Å; N149-S153 PolarHBondContact OD1-O 3.32Å; N149-S153 VanDerWaalsContact OD1-O 3.1Å; N149-T167 HydrophobicContact CB-CG2 3.71Å; N149-V168 PolarHBondContact ND2-O 2.85Å; N149-H170 PolarHBondContact ND2-ND1 3.33Å; N149-H170 PolarHBondContact O-CE1 2.98Å |
| 150 | V | 88 | Confident | 72.8 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 118.1 | 172.6 | 174.5 | 0 | 0 | 0 | 0 | 105 | Y97 T118 A119 R201 A202 G223 | Y97-V150 HydrophobicContact CD1-CB 4.36Å; Y97-V150 HydrophobicContact CD1-CG2 3.51Å; Y97-V150 HydrophobicContact CE1-CB 3.9Å; Y97-V150 HydrophobicContact CE1-CG2 3.31Å; T118-V150 CarbonylContact C-O 3.51Å; T118-V150 WeakPolarHBondContact CA-O 3.11Å; T118-V150 VanDerWaalsContact CB-O 3.23Å; T118-V150 WeakPolarHBondContact CB-O 3.45Å; A119-V150 PolarHBondContact N-O 3.36Å; A119-V150 PolarHBondContact O-N 2.87Å; V150-R201 HydrophobicContact CG1-CB 3.83Å; V150-A202 VanDerWaalsContact CG1-CA 3.46Å; V150-A202 VanDerWaalsContact CG1-N 3.32Å; V150-G223 WeakPolarHBondContact CG2-O 3.27Å |
| 151 | G | 91.3 | Very high | 75.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 96.8 | -153.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N149 H170 R201 | N149-G151 PolarHBondContact ND2-O 3.25Å; N149-G151 VanDerWaalsContact ND2-O 3.11Å; G151-H170 PolarHBondContact N-ND1 2.74Å; G151-H170 WeakPolarHBondContact O-CB 2.81Å; G151-H170 PolarHBondContact O-N 3.34Å; G151-H170 PolarHBondContact O-ND1 2.74Å; G151-R201 WeakPolarHBondContact CA-O 3.17Å; G151-R201 PolarHBondContact N-O 3.11Å; G151-R201 VanDerWaalsContact N-O 3.16Å |
| 152 | D | 92.1 | Very high | 78.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -121.9 | 13.3 | -168.2 | 50.6 | -5.5 | 0 | 0 | 0 | 114.7 | T118 D169 K171 | T118-D152 WeakPolarHBondContact CG2-OD1 3.45Å; D152-D169 HydrophobicContact CB-CB 4.12Å; D152-K171 HydrophobicContact CB-CD 3.96Å; D152-K171 VanDerWaalsContact CB-CE 3.45Å; D152-K171 VanDerWaalsContact CB-NZ 3.28Å; D152-K171 IonicContact OD2-NZ 3.07Å; D152-K171 PolarHBondContact OD2-NZ 2.88Å |
| 153 | S | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -63.1 | 156.8 | 151 | -66.4 | 0 | 0 | 0 | 0 | 110.3 | T118 V120 N149 A261 C262 | T118-S153 PolarHBondContact OG1-OG 2.98Å; V120-S153 VanDerWaalsContact CG1-CB 3.46Å; N149-S153 PolarHBondContact OD1-O 3.32Å; N149-S153 VanDerWaalsContact OD1-O 3.1Å; S153-A261 WeakPolarHBondContact CA-O 3.44Å; S153-A261 WeakPolarHBondContact CB-O 3.32Å; S153-C262 WeakPolarHBondContact OG-CA 3.37Å | ||
| 154 | R | 93.8 | Very high | 83.2 | Confident | 41 Ų | 41 | 16.8 Ų | 16.8 | 16% | 0.155 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 145.2 | -173.8 | -162.5 | -172.7 | -62.6 | 148.6 | 8.3 | 113.1 | V156 T167 D169 L260 A261 W266 N271 | R154-V156 HydrophobicContact CG-CG2 4.28Å; R154-T167 WeakPolarHBondContact CA-OG1 3.47Å; R154-T167 WeakPolarHBondContact CG-OG1 3.47Å; R154-D169 IonicContact CZ-OD1 2.7Å; R154-D169 IonicContact CZ-OD2 3.6Å; R154-D169 IonicContact NE-OD1 2.69Å; R154-D169 PolarHBondContact NE-OD1 3.43Å; R154-D169 IonicContact NE-OD2 3.61Å; R154-D169 IonicContact NH2-OD1 2.63Å; R154-D169 PolarHBondContact NH2-OD1 2.76Å; R154-D169 IonicContact NH2-OD2 3.95Å; R154-D169 PolarHBondContact NH2-OD2 2.73Å; R154-L260 WeakPolarHBondContact O-CA 3.43Å; R154-A261 PolarHBondContact N-O 2.97Å; R154-A261 PolarHBondContact O-N 3.16Å; R154-W266 HydrophobicContact CB-CD2 4.22Å; R154-W266 HydrophobicContact CB-CG 4.14Å; R154-W266 HydrophobicContact CB-CZ2 4.42Å; R154-W266 WeakPolarHBondContact O-CZ2 3.26Å; R154-W266 PolarHBondContact O-NE1 2.97Å; R154-N271 WeakPolarHBondContact CD-OD1 3.32Å; R154-N271 PolarHBondContact NH1-OD1 3.18Å |
| 155 | A | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V120 V122 L166 T167 V259 L260 | V120-A155 HydrophobicContact CG2-CB 3.8Å; V122-A155 HydrophobicContact CG2-CB 3.9Å; A155-L166 HydrophobicContact CB-CB 4.06Å; A155-L166 HydrophobicContact CB-CD1 4.21Å; A155-L166 WeakPolarHBondContact O-CB 3.35Å; A155-L166 PolarHBondContact O-N 3.37Å; A155-T167 HydrophobicContact CB-CG2 4.05Å; A155-T167 PolarHBondContact N-OG1 3.35Å; A155-V259 CarbonylContact C-O 3.57Å; A155-V259 VanDerWaalsContact CA-O 3.24Å; A155-V259 WeakPolarHBondContact CA-O 3.42Å; A155-L260 HydrophobicContact CB-CG 4.07Å |
| 156 | V | 94.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.5 | -178.6 | 178.9 | 0 | 0 | 0 | 0 | 109 | R154 A163 V258 V259 W266 N271 V275 | R154-V156 HydrophobicContact CG-CG2 4.28Å; V156-A163 HydrophobicContact CG1-CB 3.86Å; V156-V258 CarbonylContact O-C 3.46Å; V156-V258 WeakPolarHBondContact O-CA 3.38Å; V156-V259 PolarHBondContact N-O 3.21Å; V156-V259 PolarHBondContact O-N 3.14Å; V156-W266 HydrophobicContact CB-CH2 4.17Å; V156-W266 HydrophobicContact CG2-CH2 3.71Å; V156-W266 HydrophobicContact CG2-CZ2 4.26Å; V156-W266 HydrophobicContact CG2-CZ3 4.04Å; V156-N271 HydrophobicContact CG1-CB 4.36Å; V156-N271 HydrophobicContact CG2-CB 4.26Å; V156-V275 HydrophobicContact CG1-CG2 4.07Å |
| 157 | V | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.4 | 170.1 | 64.9 | 0 | 0 | 0 | 0 | 110.1 | R164 L166 W249 D255 V258 | V157-R164 HydrophobicContact CG1-CB 3.78Å; V157-R164 PolarHBondContact N-O 2.97Å; V157-R164 PolarHBondContact O-N 2.96Å; V157-L166 HydrophobicContact CB-CD1 4.06Å; V157-L166 HydrophobicContact CB-CD2 4.12Å; V157-L166 HydrophobicContact CB-CG 4.09Å; V157-L166 HydrophobicContact CG1-CD2 3.71Å; V157-L166 HydrophobicContact CG1-CG 4.05Å; V157-W249 HydrophobicContact CG1-CD2 4.2Å; V157-W249 HydrophobicContact CG1-CE3 4.42Å; V157-W249 HydrophobicContact CG1-CH2 4.44Å; V157-W249 HydrophobicContact CG1-CZ2 4.14Å; V157-D255 HydrophobicContact CG2-CB 4.36Å; V157-V258 HydrophobicContact CB-CG2 4.3Å; V157-V258 HydrophobicContact CG2-CG2 4.08Å |
| 158 | S | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.9 | 164.8 | -176.2 | 0 | 0 | 0 | 0 | 109 | E256 F257 V275 | S158-E256 PolarHBondContact O-N 3.11Å; S158-E256 PolarHBondContact OG-OE2 3.12Å; S158-F257 VanDerWaalsContact CB-CZ 3.43Å; S158-F257 PolarHBondContact N-O 3.05Å; S158-V275 WeakPolarHBondContact OG-CG1 3.36Å |
| 159 | S | 94 | Very high | 91.6 | Very high | 7 Ų | 7 | 17.4 Ų | 17.4 | 5% | 0.049 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 115.5 | 178.6 | -167.8 | 0 | 0 | 0 | 0 | 109.3 | G161 F162 K254 D255 | S159-G161 PolarHBondContact O-N 3.34Å; S159-F162 PolarHBondContact N-O 2.93Å; S159-F162 VanDerWaalsContact N-O 3.08Å; S159-F162 PolarHBondContact O-N 2.89Å; S159-K254 WeakPolarHBondContact CA-O 3.35Å; S159-D255 WeakPolarHBondContact CB-OD1 3.46Å; S159-D255 PolarHBondContact OG-OD1 2.97Å |
| 160 | D | 94.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 17.5 Ų | 17.5 | 22% | 0.219 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 28.9 | -167.4 | -72.5 | -24.5 | 0 | 0 | 0 | 113.4 | F162 K254 | D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 2.66Å; D160-K254 PolarHBondContact N-O 3.1Å; D160-K254 WeakPolarHBondContact OD2-CD 3.11Å; D160-K254 WeakPolarHBondContact OD2-CG 3.43Å |
| 161 | G | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S159 Q272 R338 | S159-G161 PolarHBondContact O-N 3.34Å; G161-Q272 PolarHBondContact O-NE2 3.35Å; G161-R338 WeakPolarHBondContact O-CD 3.45Å |
| 162 | F | 95.8 | Very high | 91.8 | Very high | 39 Ų | 39 | 19.6 Ų | 19.6 | 17% | 0.171 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.4 | 168.7 | -63.8 | -80 | 0 | 0 | 0 | 109.6 | S159 D160 R164 R338 A342 | S159-F162 PolarHBondContact N-O 2.93Å; S159-F162 VanDerWaalsContact N-O 3.08Å; S159-F162 PolarHBondContact O-N 2.89Å; D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 2.66Å; F162-R164 PolarHBondContact O-N 3.11Å; F162-R338 HydrophobicContact CE2-CB 4.46Å; F162-R338 HydrophobicContact CZ-CB 4.3Å; F162-A342 HydrophobicContact CD1-CB 4.46Å; F162-A342 HydrophobicContact CE1-CB 4.01Å; F162-A342 HydrophobicContact CZ-CB 4.14Å |
| 163 | A | 94.9 | Very high | 91.9 | Very high | 20 Ų | 20 | 24 Ų | 24 | 17% | 0.165 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | V156 N271 Q272 V275 | V156-A163 HydrophobicContact CG1-CB 3.86Å; A163-N271 VanDerWaalsContact CB-C 3.48Å; A163-N271 HydrophobicContact CB-CB 3.84Å; A163-N271 WeakPolarHBondContact CB-O 3.42Å; A163-Q272 HydrophobicContact CB-CB 4.31Å; A163-V275 HydrophobicContact CB-CB 4.01Å; A163-V275 HydrophobicContact CB-CG2 3.56Å |
| 164 | R | 90.8 | Very high | 91.5 | Very high | 53 Ų | 53 | 26.5 Ų | 26.5 | 20% | 0.2 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 109.5 | 176.7 | -60.2 | -177.5 | -176.3 | -94.6 | 5.4 | 108.7 | V157 F162 L166 W249 | V157-R164 HydrophobicContact CG1-CB 3.78Å; V157-R164 PolarHBondContact N-O 2.97Å; V157-R164 PolarHBondContact O-N 2.96Å; F162-R164 PolarHBondContact O-N 3.11Å; R164-L166 PolarHBondContact O-N 2.61Å; R164-W249 HydrophobicContact CG-CH2 4.48Å |
| 165 | P | 89.3 | Confident | 91.3 | Very high | 68 Ų | 68 | 30.8 Ų | 30.8 | 44% | 0.442 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.1 | 179 | 26.4 | -32.4 | 0 | 0 | 0 | 109.8 | ||
| 166 | L | 85 | Confident | 90.9 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -81.5 | -24.3 | 177 | -71.2 | 176.7 | 0 | 0 | 0 | 111.4 | V122 L129 C131 R132 A155 V157 R164 W249 V258 | V122-L166 HydrophobicContact CG2-CD1 4.46Å; L129-L166 HydrophobicContact CD1-CD1 3.95Å; L129-L166 HydrophobicContact CD2-CD1 3.9Å; L129-L166 HydrophobicContact CD2-CD2 4.2Å; C131-L166 HydrophobicContact CB-CB 4.22Å; C131-L166 VanDerWaalsContact SG-CB 3.57Å; C131-L166 PolarHBondContact SG-O 3.49Å; R132-L166 WeakPolarHBondContact CB-O 3.43Å; A155-L166 HydrophobicContact CB-CB 4.06Å; A155-L166 HydrophobicContact CB-CD1 4.21Å; A155-L166 WeakPolarHBondContact O-CB 3.35Å; A155-L166 PolarHBondContact O-N 3.37Å; V157-L166 HydrophobicContact CB-CD1 4.06Å; V157-L166 HydrophobicContact CB-CD2 4.12Å; V157-L166 HydrophobicContact CB-CG 4.09Å; V157-L166 HydrophobicContact CG1-CD2 3.71Å; V157-L166 HydrophobicContact CG1-CG 4.05Å; R164-L166 PolarHBondContact O-N 2.61Å; L166-W249 HydrophobicContact CD2-CB 4.27Å; L166-W249 HydrophobicContact CD2-CD2 4.33Å; L166-W249 HydrophobicContact CD2-CE3 4.27Å; L166-W249 HydrophobicContact CD2-CG 4.33Å; L166-V258 HydrophobicContact CD1-CG1 3.7Å |
| 167 | T | 85.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -127.9 | 165 | -176.7 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | V120 C131 N149 R154 A155 | V120-T167 HydrophobicContact CG2-CG2 3.97Å; C131-T167 HydrophobicContact CB-CG2 4.5Å; N149-T167 HydrophobicContact CB-CG2 3.71Å; R154-T167 WeakPolarHBondContact CA-OG1 3.47Å; R154-T167 WeakPolarHBondContact CG-OG1 3.47Å; A155-T167 HydrophobicContact CB-CG2 4.05Å; A155-T167 PolarHBondContact N-OG1 3.35Å |
| 168 | V | 84.2 | Confident | 90.4 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | trans | -121.1 | 128.8 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | Q147 N149 | Q147-V168 PolarHBondContact OE1-O 2.81Å; Q147-V168 VanDerWaalsContact OE1-O 3.05Å; N149-V168 PolarHBondContact ND2-O 2.85Å | ||
| 169 | D | 89.3 | Confident | 90.1 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | trans | -64.9 | 136.3 | 178.7 | -59.9 | 19 | 0 | 0 | 0 | 111.2 | D152 R154 K171 N174 | D152-D169 HydrophobicContact CB-CB 4.12Å; R154-D169 IonicContact CZ-OD1 2.7Å; R154-D169 IonicContact CZ-OD2 3.6Å; R154-D169 IonicContact NE-OD1 2.69Å; R154-D169 PolarHBondContact NE-OD1 3.43Å; R154-D169 IonicContact NE-OD2 3.61Å; R154-D169 IonicContact NH2-OD1 2.63Å; R154-D169 PolarHBondContact NH2-OD1 2.76Å; R154-D169 IonicContact NH2-OD2 3.95Å; R154-D169 PolarHBondContact NH2-OD2 2.73Å; D169-K171 HydrophobicContact CB-CG 4.19Å; D169-K171 PolarHBondContact O-N 3.04Å; D169-N174 PolarHBondContact O-ND2 2.95Å | ||
| 170 | H | 87.2 | Confident | 90 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | trans | -93.1 | 73.7 | 179.9 | -61.6 | 108 | 0 | 0 | 0 | 112.1 | Q147 N149 G151 S200 R201 | Q147-H170 VanDerWaalsContact CD-NE2 3.28Å; Q147-H170 PolarHBondContact NE2-NE2 2.91Å; Q147-H170 PolarHBondContact OE1-CE1 2.82Å; Q147-H170 PolarHBondContact OE1-NE2 2.96Å; N149-H170 PolarHBondContact ND2-ND1 3.33Å; N149-H170 PolarHBondContact O-CE1 2.98Å; G151-H170 PolarHBondContact N-ND1 2.74Å; G151-H170 WeakPolarHBondContact O-CB 2.81Å; G151-H170 PolarHBondContact O-N 3.34Å; G151-H170 PolarHBondContact O-ND1 2.74Å; H170-S200 VanDerWaalsContact C-OG 3.23Å; H170-S200 PolarHBondContact O-N 3.49Å; H170-S200 PolarHBondContact O-OG 3.41Å; H170-R201 HydrophobicContact CB-CB 3.91Å; H170-R201 HydrophobicContact CB-CG 3.74Å; H170-R201 WeakPolarHBondContact CD2-CD 3.38Å; H170-R201 PolarHBondContact CD2-NE 3.25Å; H170-R201 VanDerWaalsContact CG-CD 3.47Å; H170-R201 VanDerWaalsContact NE2-CZ 3.26Å; H170-R201 PolarHBondContact NE2-NH1 3.43Å | ||
| 171 | K | 89.4 | Confident | 89.9 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | trans | -84.8 | 142.9 | 177.7 | -57.2 | -66.5 | -174.3 | 175.8 | 0 | 111 | D152 D169 I173 N174 | D152-K171 HydrophobicContact CB-CD 3.96Å; D152-K171 VanDerWaalsContact CB-CE 3.45Å; D152-K171 VanDerWaalsContact CB-NZ 3.28Å; D152-K171 IonicContact OD2-NZ 3.07Å; D152-K171 PolarHBondContact OD2-NZ 2.88Å; D169-K171 HydrophobicContact CB-CG 4.19Å; D169-K171 PolarHBondContact O-N 3.04Å; K171-I173 HydrophobicContact CB-CG1 4.12Å; K171-I173 PolarHBondContact O-N 3.47Å; K171-N174 PolarHBondContact N-ND2 2.84Å; K171-N174 VanDerWaalsContact O-CB 3.32Å; K171-N174 WeakPolarHBondContact O-CB 3.25Å; K171-N174 PolarHBondContact O-N 3.01Å | ||
| 172 | P | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.8 | -179.8 | -28.7 | 37.6 | 0 | 0 | 0 | 115.3 | N174 I178 I181 V188 N191 V193 A198 | P172-N174 VanDerWaalsContact C-N 3.34Å; P172-I178 WeakPolarHBondContact O-CB 3.28Å; P172-I181 HydrophobicContact CB-CD1 4.02Å; P172-V188 HydrophobicContact CB-CG1 3.96Å; P172-V188 HydrophobicContact CB-CG2 3.94Å; P172-N191 WeakPolarHBondContact CG-O 3.16Å; P172-V193 HydrophobicContact CB-CG2 3.94Å; P172-V193 HydrophobicContact CG-CG2 3.62Å; P172-A198 WeakPolarHBondContact CD-O 3.5Å |
| 173 | I | 92.3 | Very high | 89.8 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9 | 179.2 | 60.4 | 170.8 | 0 | 0 | 0 | 114.2 | K171 V188 N191 | K171-I173 HydrophobicContact CB-CG1 4.12Å; K171-I173 PolarHBondContact O-N 3.47Å; I173-V188 HydrophobicContact CG2-CG1 4.29Å; I173-N191 HydrophobicContact CG2-CB 3.87Å; I173-N191 VanDerWaalsContact CG2-OD1 3.26Å; I173-N191 WeakPolarHBondContact CG2-OD1 3.41Å |
| 174 | N | 86.7 | Confident | 89.8 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -64.8 | 138.8 | 176.1 | -68.7 | -4.8 | 0 | 0 | 0 | 109.5 | D169 K171 P172 L176 E177 I178 | D169-N174 PolarHBondContact O-ND2 2.95Å; K171-N174 PolarHBondContact N-ND2 2.84Å; K171-N174 VanDerWaalsContact O-CB 3.32Å; K171-N174 WeakPolarHBondContact O-CB 3.25Å; K171-N174 PolarHBondContact O-N 3.01Å; P172-N174 VanDerWaalsContact C-N 3.34Å; N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.46Å; N174-E177 HydrophobicContact CB-CB 4.12Å; N174-E177 HydrophobicContact CB-CG 3.67Å; N174-E177 WeakPolarHBondContact O-CA 3.42Å; N174-E177 WeakPolarHBondContact O-CB 3.21Å; N174-E177 PolarHBondContact O-N 2.73Å; N174-I178 PolarHBondContact O-N 3.28Å |
| 175 | E | 88.9 | Confident | 90 | Very high | 130 Ų | 130 | 48.1 Ų | 48.1 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56.3 | -43 | -169.1 | -171.4 | -175.1 | 163.9 | 0 | 0 | 113.9 | I178 K179 | E175-I178 WeakPolarHBondContact O-CG2 3.38Å; E175-K179 HydrophobicContact CG-CD 4.46Å; E175-K179 WeakPolarHBondContact O-CB 3.26Å; E175-K179 VanDerWaalsContact O-CG 3.25Å; E175-K179 WeakPolarHBondContact O-CG 3.48Å; E175-K179 PolarHBondContact O-N 2.66Å; E175-K179 WeakPolarHBondContact OE1-CE 3.28Å; E175-K179 IonicContact OE1-NZ 2.74Å; E175-K179 PolarHBondContact OE1-NZ 3.31Å |
| 176 | L | 85.6 | Confident | 90.3 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.5 | -33.9 | 177.6 | -62.5 | 179.7 | 0 | 0 | 0 | 112.1 | N174 R180 | N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.46Å; L176-R180 PolarHBondContact O-N 3.07Å; L176-R180 VanDerWaalsContact O-N 3.15Å |
| 177 | E | 88.3 | Confident | 90.9 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.023 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.7 | -47 | -178.4 | -53.7 | -55.4 | 107.6 | 0 | 0 | 110.7 | N174 K179 R180 I181 S200 R201 | N174-E177 HydrophobicContact CB-CB 4.12Å; N174-E177 HydrophobicContact CB-CG 3.67Å; N174-E177 WeakPolarHBondContact O-CA 3.42Å; N174-E177 WeakPolarHBondContact O-CB 3.21Å; N174-E177 PolarHBondContact O-N 2.73Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 3.34Å; E177-R180 PolarHBondContact O-N 3.35Å; E177-R180 IonicContact OE1-NH1 3.61Å; E177-R180 PolarHBondContact OE1-NH1 3.5Å; E177-R180 IonicContact OE2-CZ 3.64Å; E177-R180 VanDerWaalsContact OE2-CZ 3.22Å; E177-R180 IonicContact OE2-NH1 2.73Å; E177-R180 PolarHBondContact OE2-NH1 2.91Å; E177-R180 IonicContact OE2-NH2 3.78Å; E177-R180 PolarHBondContact OE2-NH2 3.45Å; E177-I181 WeakPolarHBondContact O-CB 3.33Å; E177-I181 WeakPolarHBondContact O-CD1 3.35Å; E177-I181 VanDerWaalsContact O-CG1 3.23Å; E177-I181 WeakPolarHBondContact O-CG1 3.49Å; E177-I181 PolarHBondContact O-N 3.02Å; E177-S200 WeakPolarHBondContact CG-OG 3.05Å; E177-S200 PolarHBondContact OE2-OG 3.41Å; E177-R201 IonicContact OE1-CZ 3.47Å; E177-R201 IonicContact OE1-NE 2.66Å; E177-R201 PolarHBondContact OE1-NE 2.96Å; E177-R201 IonicContact OE1-NH2 2.6Å; E177-R201 PolarHBondContact OE1-NH2 2.94Å; E177-R201 VanDerWaalsContact OE2-CG 3.3Å; E177-R201 WeakPolarHBondContact OE2-CG 3.46Å; E177-R201 IonicContact OE2-CZ 3.84Å; E177-R201 IonicContact OE2-NE 3.49Å; E177-R201 PolarHBondContact OE2-NE 3.14Å; E177-R201 IonicContact OE2-NH2 2.76Å |
| 178 | I | 91 | Very high | 91.4 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 178.3 | -165.6 | 166.4 | 0 | 0 | 0 | 111.5 | P172 N174 E175 I181 I182 V188 | P172-I178 WeakPolarHBondContact O-CB 3.28Å; N174-I178 PolarHBondContact O-N 3.28Å; E175-I178 WeakPolarHBondContact O-CG2 3.38Å; I178-I181 PolarHBondContact O-N 3.36Å; I178-I182 HydrophobicContact CG1-CD1 3.89Å; I178-I182 HydrophobicContact CG1-CG1 4.42Å; I178-I182 VanDerWaalsContact O-CG1 3.31Å; I178-I182 WeakPolarHBondContact O-CG1 2.95Å; I178-I182 PolarHBondContact O-N 3.43Å; I178-V188 HydrophobicContact CD1-CB 4.24Å; I178-V188 HydrophobicContact CD1-CG2 4.27Å; I178-V188 HydrophobicContact CG1-CB 4.43Å; I178-V188 HydrophobicContact CG1-CG2 3.93Å |
| 179 | K | 91.1 | Very high | 91.9 | Very high | 113 Ų | 113 | 54.6 Ų | 54.6 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.6 | -76.6 | 175.6 | -172.8 | 171.8 | 0 | 111.2 | E175 E177 A183 | E175-K179 HydrophobicContact CG-CD 4.46Å; E175-K179 WeakPolarHBondContact O-CB 3.26Å; E175-K179 VanDerWaalsContact O-CG 3.25Å; E175-K179 WeakPolarHBondContact O-CG 3.48Å; E175-K179 PolarHBondContact O-N 2.66Å; E175-K179 WeakPolarHBondContact OE1-CE 3.28Å; E175-K179 IonicContact OE1-NZ 2.74Å; E175-K179 PolarHBondContact OE1-NZ 3.31Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 3.34Å; K179-A183 VanDerWaalsContact O-CB 3.29Å; K179-A183 WeakPolarHBondContact O-CB 3.47Å; K179-A183 PolarHBondContact O-N 3.01Å |
| 180 | R | 92.1 | Very high | 92 | Very high | 26 Ų | 26 | 62 Ų | 62 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 175.9 | -177.1 | -166.3 | 62.4 | -110.9 | -1.5 | 111.4 | L176 E177 I182 A183 A184 S200 Q219 I222 | L176-R180 PolarHBondContact O-N 3.07Å; L176-R180 VanDerWaalsContact O-N 3.15Å; E177-R180 PolarHBondContact O-N 3.35Å; E177-R180 IonicContact OE1-NH1 3.61Å; E177-R180 PolarHBondContact OE1-NH1 3.5Å; E177-R180 IonicContact OE2-CZ 3.64Å; E177-R180 VanDerWaalsContact OE2-CZ 3.22Å; E177-R180 IonicContact OE2-NH1 2.73Å; E177-R180 PolarHBondContact OE2-NH1 2.91Å; E177-R180 IonicContact OE2-NH2 3.78Å; E177-R180 PolarHBondContact OE2-NH2 3.45Å; R180-I182 VanDerWaalsContact C-N 3.31Å; R180-I182 PolarHBondContact O-N 3.35Å; R180-A183 PolarHBondContact O-N 2.77Å; R180-A183 VanDerWaalsContact O-N 3.15Å; R180-A184 WeakPolarHBondContact O-CB 3.23Å; R180-A184 PolarHBondContact O-N 3.44Å; R180-S200 PolarHBondContact NH2-O 3.18Å; R180-Q219 WeakPolarHBondContact CD-O 3.5Å; R180-Q219 PolarHBondContact NE-O 2.66Å; R180-Q219 VanDerWaalsContact NE-O 3.1Å; R180-I222 VanDerWaalsContact NH1-CD1 3.35Å |
| 181 | I | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.8 | -48 | -178.2 | -72.1 | 159.2 | 0 | 0 | 0 | 110.7 | P172 E177 I178 A184 G185 G186 V188 V193 I220 | P172-I181 HydrophobicContact CB-CD1 4.02Å; E177-I181 WeakPolarHBondContact O-CB 3.33Å; E177-I181 WeakPolarHBondContact O-CD1 3.35Å; E177-I181 VanDerWaalsContact O-CG1 3.23Å; E177-I181 WeakPolarHBondContact O-CG1 3.49Å; E177-I181 PolarHBondContact O-N 3.02Å; I178-I181 PolarHBondContact O-N 3.36Å; I181-A184 PolarHBondContact O-N 2.81Å; I181-G185 PolarHBondContact O-N 2.88Å; I181-G186 WeakPolarHBondContact O-CA 3.34Å; I181-G186 PolarHBondContact O-N 3.3Å; I181-V188 HydrophobicContact CD1-CG2 3.88Å; I181-V188 HydrophobicContact CG2-CG2 4.03Å; I181-V193 HydrophobicContact CD1-CG2 3.83Å; I181-V193 HydrophobicContact CG1-CG2 4.49Å; I181-I220 HydrophobicContact CG1-CG2 4.45Å; I181-I220 WeakPolarHBondContact CG1-O 3.49Å; I181-I220 HydrophobicContact CG2-CG2 4.27Å |
| 182 | I | 95.2 | Very high | 92.5 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 54% | 0.544 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 178.8 | -65.8 | 169.6 | 0 | 0 | 0 | 111.1 | I178 R180 A184 G185 G186 | I178-I182 HydrophobicContact CG1-CD1 3.89Å; I178-I182 HydrophobicContact CG1-CG1 4.42Å; I178-I182 VanDerWaalsContact O-CG1 3.31Å; I178-I182 WeakPolarHBondContact O-CG1 2.95Å; I178-I182 PolarHBondContact O-N 3.43Å; R180-I182 VanDerWaalsContact C-N 3.31Å; R180-I182 PolarHBondContact O-N 3.35Å; I182-A184 PolarHBondContact O-N 3.18Å; I182-G185 PolarHBondContact O-N 3Å; I182-G186 WeakPolarHBondContact CA-O 3.26Å |
| 183 | A | 93.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 68.6 Ų | 68.6 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -26 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K179 R180 G185 K214 | K179-A183 VanDerWaalsContact O-CB 3.29Å; K179-A183 WeakPolarHBondContact O-CB 3.47Å; K179-A183 PolarHBondContact O-N 3.01Å; R180-A183 PolarHBondContact O-N 2.77Å; R180-A183 VanDerWaalsContact O-N 3.15Å; A183-G185 VanDerWaalsContact C-N 3.31Å; A183-K214 WeakPolarHBondContact O-CE 3.33Å |
| 184 | A | 94 | Very high | 92.7 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R180 I181 I182 N211 E218 I220 | R180-A184 WeakPolarHBondContact O-CB 3.23Å; R180-A184 PolarHBondContact O-N 3.44Å; I181-A184 PolarHBondContact O-N 2.81Å; I182-A184 PolarHBondContact O-N 3.18Å; A184-N211 PolarHBondContact O-ND2 2.91Å; A184-E218 WeakPolarHBondContact CB-O 3.36Å; A184-I220 HydrophobicContact CB-CB 4.4Å; A184-I220 HydrophobicContact CB-CG1 3.6Å |
| 185 | G | 95.5 | Very high | 93 | Very high | 59 Ų | 59 | 65 Ų | 65 | 61% | 0.608 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 7.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I181 I182 A183 | I181-G185 PolarHBondContact O-N 2.88Å; I182-G185 PolarHBondContact O-N 3Å; A183-G185 VanDerWaalsContact C-N 3.31Å |
| 186 | G | 95.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | trans | -88.4 | 178.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I181 I182 N194 | I181-G186 WeakPolarHBondContact O-CA 3.34Å; I181-G186 PolarHBondContact O-N 3.3Å; I182-G186 WeakPolarHBondContact CA-O 3.26Å; G186-N194 VanDerWaalsContact CA-OD1 3.26Å; G186-N194 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 187 | W | 97 | Very high | 93.5 | Very high | 134 Ų | 134 | 59.2 Ų | 59.2 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | trans | -139.2 | 166.6 | 172 | 65.4 | 98.4 | 0 | 0 | 0 | 110.7 | N194 | W187-N194 HydrophobicContact CD2-CB 4.27Å; W187-N194 HydrophobicContact CE3-CB 4.39Å; W187-N194 HydrophobicContact CH2-CB 3.94Å; W187-N194 HydrophobicContact CZ2-CB 3.81Å; W187-N194 HydrophobicContact CZ3-CB 4.24Å; W187-N194 PolarHBondContact N-OD1 3.41Å; W187-N194 PolarHBondContact O-N 3.19Å; W187-N194 PolarHBondContact O-OD1 2.74Å | ||
| 188 | V | 95.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | P172 I173 I178 I181 R192 | P172-V188 HydrophobicContact CB-CG1 3.96Å; P172-V188 HydrophobicContact CB-CG2 3.94Å; I173-V188 HydrophobicContact CG2-CG1 4.29Å; I178-V188 HydrophobicContact CD1-CB 4.24Å; I178-V188 HydrophobicContact CD1-CG2 4.27Å; I178-V188 HydrophobicContact CG1-CB 4.43Å; I178-V188 HydrophobicContact CG1-CG2 3.93Å; I181-V188 HydrophobicContact CD1-CG2 3.88Å; I181-V188 HydrophobicContact CG2-CG2 4.03Å; V188-R192 WeakPolarHBondContact CA-O 3.1Å |
| 189 | E | 95.2 | Very high | 93.6 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.8 | 180 | -171.8 | 179 | -163.3 | 0 | 0 | 109.1 | N191 R192 | E189-N191 PolarHBondContact O-N 2.9Å; E189-R192 PolarHBondContact N-O 3.39Å; E189-R192 WeakPolarHBondContact O-CA 3.37Å; E189-R192 WeakPolarHBondContact O-CB 3.36Å; E189-R192 PolarHBondContact O-N 3.15Å |
| 190 | F | 91.4 | Very high | 93.6 | Very high | 175 Ų | 175 | 53 Ų | 53 | 77% | 0.768 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 42.6 | -173.2 | -53.4 | -66.1 | 0 | 0 | 0 | 113.4 | R192 | F190-R192 PolarHBondContact O-N 2.9Š|
| 191 | N | 92.3 | Very high | 93.7 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 15.9 | -176 | -52.7 | -23.3 | 0 | 0 | 0 | 115.1 | P172 I173 E189 | P172-N191 WeakPolarHBondContact CG-O 3.16Å; I173-N191 HydrophobicContact CG2-CB 3.87Å; I173-N191 VanDerWaalsContact CG2-OD1 3.26Å; I173-N191 WeakPolarHBondContact CG2-OD1 3.41Å; E189-N191 PolarHBondContact O-N 2.9Å |
| 192 | R | 95 | Very high | 93.6 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 33% | 0.328 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.1 | -178.4 | -66.9 | 172.8 | 175 | -82.4 | -13.6 | 111.7 | V188 E189 F190 N194 G195 N196 L197 A198 | V188-R192 WeakPolarHBondContact CA-O 3.1Å; E189-R192 PolarHBondContact N-O 3.39Å; E189-R192 WeakPolarHBondContact O-CA 3.37Å; E189-R192 WeakPolarHBondContact O-CB 3.36Å; E189-R192 PolarHBondContact O-N 3.15Å; F190-R192 PolarHBondContact O-N 2.9Å; R192-N194 PolarHBondContact O-N 2.87Å; R192-G195 PolarHBondContact O-N 3.36Å; R192-N196 WeakPolarHBondContact CD-O 3.42Å; R192-N196 PolarHBondContact NH1-O 2.93Å; R192-L197 CarbonylContact C-O 3.41Å; R192-L197 WeakPolarHBondContact CA-O 3.3Å; R192-L197 WeakPolarHBondContact CB-O 3.24Å; R192-A198 HydrophobicContact CG-CB 4.49Å |
| 193 | V | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 121.9 | 170.7 | -179 | 0 | 0 | 0 | 0 | 109.3 | P172 I181 G195 N196 L197 M199 Y208 I220 V221 | P172-V193 HydrophobicContact CB-CG2 3.94Å; P172-V193 HydrophobicContact CG-CG2 3.62Å; I181-V193 HydrophobicContact CD1-CG2 3.83Å; I181-V193 HydrophobicContact CG1-CG2 4.49Å; V193-G195 PolarHBondContact O-N 2.8Å; V193-G195 VanDerWaalsContact O-N 3.11Å; V193-N196 PolarHBondContact O-N 2.86Å; V193-L197 HydrophobicContact CB-CB 4.24Å; V193-L197 PolarHBondContact N-O 2.98Å; V193-L197 PolarHBondContact O-N 2.86Å; V193-L197 VanDerWaalsContact O-N 3.16Å; V193-M199 WeakPolarHBondContact CG2-O 3.49Å; V193-Y208 HydrophobicContact CG1-CD1 3.98Å; V193-Y208 HydrophobicContact CG1-CE1 3.97Å; V193-I220 HydrophobicContact CG1-CG2 3.15Å; V193-V221 HydrophobicContact CG1-CG2 4.34Å |
| 194 | N | 95.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 44.5 Ų | 44.5 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 33.5 | -175.3 | -58.2 | -9 | 0 | 0 | 0 | 112.8 | G186 W187 R192 N196 Y208 | G186-N194 VanDerWaalsContact CA-OD1 3.26Å; G186-N194 WeakPolarHBondContact CA-OD1 3.43Å; W187-N194 HydrophobicContact CD2-CB 4.27Å; W187-N194 HydrophobicContact CE3-CB 4.39Å; W187-N194 HydrophobicContact CH2-CB 3.94Å; W187-N194 HydrophobicContact CZ2-CB 3.81Å; W187-N194 HydrophobicContact CZ3-CB 4.24Å; W187-N194 PolarHBondContact N-OD1 3.41Å; W187-N194 PolarHBondContact O-N 3.19Å; W187-N194 PolarHBondContact O-OD1 2.74Å; R192-N194 PolarHBondContact O-N 2.87Å; N194-N196 PolarHBondContact O-N 3.25Å; N194-Y208 HydrophobicContact CB-CE1 4.32Å |
| 195 | G | 93.2 | Very high | 93.3 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 32% | 0.32 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 1.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R192 V193 | R192-G195 PolarHBondContact O-N 3.36Å; V193-G195 PolarHBondContact O-N 2.8Å; V193-G195 VanDerWaalsContact O-N 3.11Å |
| 196 | N | 92.4 | Very high | 93 | Very high | 91 Ų | 91 | 42.1 Ų | 42.1 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -64 | -171 | -170.7 | 26.1 | 0 | 0 | 0 | 113 | R192 V193 N194 Y208 | R192-N196 WeakPolarHBondContact CD-O 3.42Å; R192-N196 PolarHBondContact NH1-O 2.93Å; V193-N196 PolarHBondContact O-N 2.86Å; N194-N196 PolarHBondContact O-N 3.25Å; N196-Y208 WeakPolarHBondContact CB-OH 3.35Å; N196-Y208 PolarHBondContact ND2-OH 2.98Å |
| 197 | L | 91.2 | Very high | 92.8 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 129.6 | -169.9 | -171.8 | 68.4 | 0 | 0 | 0 | 111.8 | R192 V193 M199 Y208 V221 | R192-L197 CarbonylContact C-O 3.41Å; R192-L197 WeakPolarHBondContact CA-O 3.3Å; R192-L197 WeakPolarHBondContact CB-O 3.24Å; V193-L197 HydrophobicContact CB-CB 4.24Å; V193-L197 PolarHBondContact N-O 2.98Å; V193-L197 PolarHBondContact O-N 2.86Å; V193-L197 VanDerWaalsContact O-N 3.16Å; L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 HydrophobicContact CD1-CG 4.13Å; L197-M199 HydrophobicContact CD2-CG 4.02Å; L197-M199 WeakPolarHBondContact CD2-O 3.49Å; L197-M199 HydrophobicContact CG-CG 3.88Å; L197-M199 PolarHBondContact O-N 3.42Å; L197-Y208 HydrophobicContact CB-CE2 4.41Å; L197-Y208 HydrophobicContact CD2-CD2 4.43Å; L197-Y208 HydrophobicContact CD2-CE2 4.31Å; L197-V221 HydrophobicContact CD2-CG1 4.37Å; L197-V221 HydrophobicContact CD2-CG2 3.64Å |
| 198 | A | 91.7 | Very high | 92.5 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 24% | 0.24 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -80.4 | -8.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | P172 R192 | P172-A198 WeakPolarHBondContact CD-O 3.5Å; R192-A198 HydrophobicContact CG-CB 4.49Å |
| 199 | M | 91 | Very high | 92.3 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | trans | -121.1 | 152.7 | -178.7 | 62.5 | -161 | 70.2 | 0 | 0 | 110 | H61 T118 V193 L197 A202 | H61-M199 PolarHBondContact CE1-SD 3.29Å; T118-M199 HydrophobicContact CG2-CE 3.99Å; T118-M199 HydrophobicContact CG2-SD 3.6Å; V193-M199 WeakPolarHBondContact CG2-O 3.49Å; L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 HydrophobicContact CD1-CG 4.13Å; L197-M199 HydrophobicContact CD2-CG 4.02Å; L197-M199 WeakPolarHBondContact CD2-O 3.49Å; L197-M199 HydrophobicContact CG-CG 3.88Å; L197-M199 PolarHBondContact O-N 3.42Å; M199-A202 HydrophobicContact CG-CB 4.5Å; M199-A202 HydrophobicContact SD-CB 4.15Å | ||
| 200 | S | 90.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -102.2 | -11.6 | -178.2 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | H170 E177 R180 V221 I222 | H170-S200 VanDerWaalsContact C-OG 3.23Å; H170-S200 PolarHBondContact O-N 3.49Å; H170-S200 PolarHBondContact O-OG 3.41Å; E177-S200 WeakPolarHBondContact CG-OG 3.05Å; E177-S200 PolarHBondContact OE2-OG 3.41Å; R180-S200 PolarHBondContact NH2-O 3.18Å; S200-V221 WeakPolarHBondContact O-CA 3.36Å; S200-I222 PolarHBondContact O-N 2.81Å |
| 201 | R | 93 | Very high | 91.9 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -136.4 | 135.5 | 178.7 | -56.4 | -166.4 | -167.2 | -176.6 | -3.1 | 109 | V150 G151 H170 E177 I222 T225 | V150-R201 HydrophobicContact CG1-CB 3.83Å; G151-R201 WeakPolarHBondContact CA-O 3.17Å; G151-R201 PolarHBondContact N-O 3.11Å; G151-R201 VanDerWaalsContact N-O 3.16Å; H170-R201 HydrophobicContact CB-CB 3.91Å; H170-R201 HydrophobicContact CB-CG 3.74Å; H170-R201 WeakPolarHBondContact CD2-CD 3.38Å; H170-R201 PolarHBondContact CD2-NE 3.25Å; H170-R201 VanDerWaalsContact CG-CD 3.47Å; H170-R201 VanDerWaalsContact NE2-CZ 3.26Å; H170-R201 PolarHBondContact NE2-NH1 3.43Å; E177-R201 IonicContact OE1-CZ 3.47Å; E177-R201 IonicContact OE1-NE 2.66Å; E177-R201 PolarHBondContact OE1-NE 2.96Å; E177-R201 IonicContact OE1-NH2 2.6Å; E177-R201 PolarHBondContact OE1-NH2 2.94Å; E177-R201 VanDerWaalsContact OE2-CG 3.3Å; E177-R201 WeakPolarHBondContact OE2-CG 3.46Å; E177-R201 IonicContact OE2-CZ 3.84Å; E177-R201 IonicContact OE2-NE 3.49Å; E177-R201 PolarHBondContact OE2-NE 3.14Å; E177-R201 IonicContact OE2-NH2 2.76Å; R201-I222 CarbonylContact C-O 3.54Å; R201-I222 WeakPolarHBondContact CA-O 3.39Å; R201-I222 HydrophobicContact CB-CG1 4.39Å; R201-I222 VanDerWaalsContact CB-O 3.3Å; R201-I222 WeakPolarHBondContact CB-O 3.33Å; R201-I222 HydrophobicContact CG-CD1 4.31Å; R201-I222 HydrophobicContact CG-CG1 3.68Å; R201-T225 PolarHBondContact NH1-OG1 3.32Å |
| 202 | A | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -163.8 | 150.1 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | T117 V150 M199 D205 K209 V221 I222 G223 | T117-A202 WeakPolarHBondContact O-CA 3.33Å; V150-A202 VanDerWaalsContact CG1-CA 3.46Å; V150-A202 VanDerWaalsContact CG1-N 3.32Å; M199-A202 HydrophobicContact CG-CB 4.5Å; M199-A202 HydrophobicContact SD-CB 4.15Å; A202-D205 WeakPolarHBondContact CB-OD2 3.16Å; A202-K209 PolarHBondContact O-NZ 2.84Å; A202-V221 HydrophobicContact CB-CG1 4.04Å; A202-I222 PolarHBondContact N-O 2.92Å; A202-I222 VanDerWaalsContact N-O 3.08Å; A202-G223 VanDerWaalsContact O-CA 3.27Å; A202-G223 WeakPolarHBondContact O-CA 3.38Å | ||
| 203 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 147.9 | 159.5 | -63.8 | 173.8 | 0 | 0 | 0 | 108.5 | V66 A70 Y97 T100 D101 I104 G116 T117 A119 | V66-L203 HydrophobicContact CG1-CB 4.24Å; A70-L203 HydrophobicContact CB-CD1 3.8Å; Y97-L203 HydrophobicContact CD1-CD1 4.34Å; Y97-L203 HydrophobicContact CD1-CD2 4.13Å; Y97-L203 HydrophobicContact CD1-CG 4.39Å; T100-L203 HydrophobicContact CG2-CD1 4.33Å; D101-L203 HydrophobicContact CB-CD2 3.62Å; D101-L203 VanDerWaalsContact OD1-CA 3.27Å; D101-L203 WeakPolarHBondContact OD1-CA 3.32Å; I104-L203 HydrophobicContact CD1-CB 4.31Å; G116-L203 CarbonylContact C-O 3.57Å; G116-L203 WeakPolarHBondContact CA-O 3.26Å; T117-L203 HydrophobicContact CG2-CB 3.97Å; T117-L203 HydrophobicContact CG2-CD1 4.4Å; T117-L203 PolarHBondContact N-O 2.92Å; T117-L203 PolarHBondContact O-N 3.4Å; A119-L203 HydrophobicContact CB-CD1 4.23Å |
| 204 | G | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.6 | -139.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D101 F206 K209 | D101-G204 PolarHBondContact OD1-N 2.98Å; G204-F206 PolarHBondContact O-N 2.96Å; G204-F206 VanDerWaalsContact O-N 3.14Å; G204-K209 WeakPolarHBondContact O-CD 3.23Å; G204-K209 WeakPolarHBondContact O-CE 3.32Å; G204-K209 PolarHBondContact O-NZ 2.87Å |
| 205 | D | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | 53.3 | 35.4 | 178.7 | -72.6 | -40.1 | 0 | 0 | 0 | 114.6 | H61 H113 T115 A202 M207 Y208 V221 | H61-D205 IonicContact CD2-OD1 2.78Å; H61-D205 IonicContact CE1-OD1 3.24Å; H61-D205 IonicContact CE1-OD2 3.72Å; H61-D205 PolarHBondContact CE1-OD2 2.78Å; H61-D205 IonicContact NE2-OD1 2.91Å; H61-D205 PolarHBondContact NE2-OD1 2.85Å; H61-D205 IonicContact NE2-OD2 3.35Å; H61-D205 PolarHBondContact NE2-OD2 2.86Å; H113-D205 CarbonylContact O-C 3.6Å; T115-D205 PolarHBondContact O-N 3.33Å; A202-D205 WeakPolarHBondContact CB-OD2 3.16Å; D205-M207 PolarHBondContact O-N 3.04Å; D205-Y208 HydrophobicContact CB-CD2 4.1Å; D205-Y208 WeakPolarHBondContact O-CB 3.2Å; D205-Y208 PolarHBondContact O-N 2.88Å; D205-V221 HydrophobicContact CB-CG1 4.2Å | ||
| 206 | F | 90.3 | Very high | 90 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.7 | -12.2 | -171.8 | -55.2 | -64 | 0 | 0 | 0 | 114.8 | D101 I104 F105 H113 G204 Y208 K209 R210 | D101-F206 WeakPolarHBondContact O-CZ 3.31Å; I104-F206 HydrophobicContact CB-CE2 4.49Å; I104-F206 HydrophobicContact CB-CZ 4.01Å; I104-F206 HydrophobicContact CG2-CE2 3.67Å; I104-F206 HydrophobicContact CG2-CZ 3.58Å; F105-F206 VanDerWaalsContact CA-CE2 3.45Å; F105-F206 HydrophobicContact CB-CD1 4.13Å; F105-F206 HydrophobicContact CB-CE1 3.59Å; F105-F206 HydrophobicContact CB-CE2 4.08Å; F105-F206 HydrophobicContact CB-CZ 3.57Å; F105-F206 HydrophobicContact CD2-CB 4.01Å; F105-F206 AromaticContact CD2-CD1 3.53Å; F105-F206 HydrophobicContact CD2-CD1 3.53Å; F105-F206 AromaticContact CD2-CD2 3.93Å; F105-F206 HydrophobicContact CD2-CD2 3.93Å; F105-F206 AromaticContact CD2-CE1 3.92Å; F105-F206 HydrophobicContact CD2-CE1 3.92Å; F105-F206 HydrophobicContact CD2-CE2 4.26Å; F105-F206 AromaticContact CD2-CG 3.54Å; F105-F206 HydrophobicContact CD2-CG 3.54Å; F105-F206 HydrophobicContact CD2-CZ 4.27Å; F105-F206 HydrophobicContact CE2-CB 4.22Å; F105-F206 HydrophobicContact CE2-CD1 4.39Å; F105-F206 HydrophobicContact CE2-CG 4.25Å; F105-F206 HydrophobicContact CG-CD1 4.25Å; F105-F206 HydrophobicContact CG-CE1 4.21Å; F105-F206 HydrophobicContact CG-CZ 4.44Å; H113-F206 PolarHBondContact O-N 2.83Å; H113-F206 VanDerWaalsContact O-N 3.17Å; G204-F206 PolarHBondContact O-N 2.96Å; G204-F206 VanDerWaalsContact O-N 3.14Å; F206-Y208 PolarHBondContact O-N 2.87Å; F206-K209 HydrophobicContact CD1-CD 3.95Å; F206-K209 HydrophobicContact CE1-CD 4.4Å; F206-K209 PolarHBondContact O-N 3.43Å; F206-R210 WeakPolarHBondContact O-CG 3.23Å; F206-R210 PolarHBondContact O-NE 3.32Å; F206-R210 VanDerWaalsContact O-NE 3.08Å |
| 207 | M | 90.5 | Very high | 89.3 | Confident | 88 Ų | 88 | 44.6 Ų | 44.6 | 43% | 0.433 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -61.7 | -30.9 | 168.2 | -175.2 | 174.4 | -71 | 0 | 0 | 112.3 | H113 M114 D205 | H113-M207 HydrophobicContact CB-CB 4.35Å; H113-M207 WeakPolarHBondContact O-CB 3.34Å; H113-M207 PolarHBondContact O-N 3.45Å; M114-M207 HydrophobicContact CG-CB 4.33Å; M114-M207 HydrophobicContact CG-CE 3.61Å; M114-M207 HydrophobicContact CG-SD 3.81Å; M114-M207 HydrophobicContact SD-CE 3.85Å; M114-M207 HydrophobicContact SD-SD 3.95Å; D205-M207 PolarHBondContact O-N 3.04Å |
| 208 | Y | 91.8 | Very high | 89.1 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -92.4 | 1 | 179.5 | -62.2 | -82.1 | 0 | 0 | 0 | 113.5 | V193 N194 N196 L197 D205 F206 I220 V221 | V193-Y208 HydrophobicContact CG1-CD1 3.98Å; V193-Y208 HydrophobicContact CG1-CE1 3.97Å; N194-Y208 HydrophobicContact CB-CE1 4.32Å; N196-Y208 WeakPolarHBondContact CB-OH 3.35Å; N196-Y208 PolarHBondContact ND2-OH 2.98Å; L197-Y208 HydrophobicContact CB-CE2 4.41Å; L197-Y208 HydrophobicContact CD2-CD2 4.43Å; L197-Y208 HydrophobicContact CD2-CE2 4.31Å; D205-Y208 HydrophobicContact CB-CD2 4.1Å; D205-Y208 WeakPolarHBondContact O-CB 3.2Å; D205-Y208 PolarHBondContact O-N 2.88Å; F206-Y208 PolarHBondContact O-N 2.87Å; Y208-I220 HydrophobicContact CD1-CG2 3.93Å; Y208-I220 WeakPolarHBondContact O-CB 3.31Å; Y208-I220 PolarHBondContact O-N 3.22Å; Y208-V221 HydrophobicContact CD1-CG2 4.21Å; Y208-V221 HydrophobicContact CD2-CG2 4.16Å; Y208-V221 HydrophobicContact CG-CB 4.39Å; Y208-V221 HydrophobicContact CG-CG2 3.72Å |
| 209 | K | 90.4 | Very high | 89 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 16% | 0.161 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -116.4 | 38.6 | -177.4 | -62.7 | 173.5 | -178.4 | 174 | 0 | 112.2 | D101 A202 G204 F206 Q219 V221 | D101-K209 VanDerWaalsContact CG-NZ 3.31Å; D101-K209 IonicContact OD1-NZ 2.85Å; D101-K209 PolarHBondContact OD1-NZ 3.43Å; D101-K209 VanDerWaalsContact OD1-NZ 3.11Å; D101-K209 IonicContact OD2-NZ 3.1Å; D101-K209 PolarHBondContact OD2-NZ 3.28Å; A202-K209 PolarHBondContact O-NZ 2.84Å; G204-K209 WeakPolarHBondContact O-CD 3.23Å; G204-K209 WeakPolarHBondContact O-CE 3.32Å; G204-K209 PolarHBondContact O-NZ 2.87Å; F206-K209 HydrophobicContact CD1-CD 3.95Å; F206-K209 HydrophobicContact CE1-CD 4.4Å; F206-K209 PolarHBondContact O-N 3.43Å; K209-Q219 VanDerWaalsContact CA-OE1 3.31Å; K209-Q219 HydrophobicContact CB-CB 4.34Å; K209-Q219 HydrophobicContact CB-CG 4.12Å; K209-Q219 HydrophobicContact CG-CB 4.14Å; K209-Q219 HydrophobicContact CG-CG 4.34Å; K209-V221 WeakPolarHBondContact CE-O 3.23Å; K209-V221 WeakPolarHBondContact CG-O 3.18Å |
| 210 | R | 87.7 | Confident | 89 | Confident | 122 Ų | 122 | 45.2 Ų | 45.2 | 46% | 0.46 | 23% | 0.227 | S | C | . | . | trans | -121.9 | 17.1 | -172.7 | -51.8 | -172.7 | 172.8 | -173.9 | -10.5 | 114.3 | H113 F206 D212 Q219 | H113-R210 PolarHBondContact CD2-NH2 2.92Å; H113-R210 PolarHBondContact CE1-NH2 2.64Å; H113-R210 PolarHBondContact ND1-NH2 2.85Å; H113-R210 PolarHBondContact NE2-NH2 2.96Å; H113-R210 VanDerWaalsContact NE2-NH2 3.16Å; F206-R210 WeakPolarHBondContact O-CG 3.23Å; F206-R210 PolarHBondContact O-NE 3.32Å; F206-R210 VanDerWaalsContact O-NE 3.08Å; R210-D212 PolarHBondContact O-N 3.38Å; R210-Q219 VanDerWaalsContact N-OE1 3.14Å | ||
| 211 | N | 89.7 | Confident | 88.9 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | trans | -79.1 | 102.8 | 172.8 | -173.1 | -27.7 | 0 | 0 | 0 | 108.3 | A184 E213 K214 Q219 | A184-N211 PolarHBondContact O-ND2 2.91Å; N211-E213 PolarHBondContact O-N 3.01Å; N211-E213 WeakPolarHBondContact OD1-CB 3.39Å; N211-E213 PolarHBondContact OD1-N 2.84Å; N211-K214 HydrophobicContact CB-CB 4.07Å; N211-K214 HydrophobicContact CB-CG 4.12Å; N211-K214 PolarHBondContact O-N 3.45Å; N211-K214 VanDerWaalsContact O-O 3.11Å; N211-Q219 PolarHBondContact O-NE2 3.47Å | ||
| 212 | D | 89.9 | Confident | 88.5 | Confident | 165 Ų | 165 | 44.7 Ų | 44.7 | 88% | 0.882 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18 | -178.8 | -64.6 | -29.3 | 0 | 0 | 0 | 113.3 | R210 K214 | R210-D212 PolarHBondContact O-N 3.38Å; D212-K214 VanDerWaalsContact C-N 3.35Å |
| 213 | E | 91.1 | Very high | 87.6 | Confident | 181 Ų | 181 | 44.8 Ų | 44.8 | 85% | 0.846 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.5 | 177.3 | -55.4 | -176.4 | 170.1 | 0 | 0 | 112.6 | N211 | N211-E213 PolarHBondContact O-N 3.01Å; N211-E213 WeakPolarHBondContact OD1-CB 3.39Å; N211-E213 PolarHBondContact OD1-N 2.84Å |
| 214 | K | 87.4 | Confident | 86.4 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -118.9 | 139.4 | -175.4 | -66.6 | -57.6 | -161.8 | 170.4 | 0 | 111.7 | A183 N211 D212 E218 Q219 | A183-K214 WeakPolarHBondContact O-CE 3.33Å; N211-K214 HydrophobicContact CB-CB 4.07Å; N211-K214 HydrophobicContact CB-CG 4.12Å; N211-K214 PolarHBondContact O-N 3.45Å; N211-K214 VanDerWaalsContact O-O 3.11Å; D212-K214 VanDerWaalsContact C-N 3.35Å; K214-E218 HydrophobicContact CB-CB 4.05Å; K214-E218 HydrophobicContact CD-CB 3.97Å; K214-E218 WeakPolarHBondContact CD-OE2 3.41Å; K214-E218 HydrophobicContact CG-CB 4.35Å; K214-E218 IonicContact NZ-OE2 2.82Å; K214-E218 PolarHBondContact NZ-OE2 3.28Å; K214-Q219 PolarHBondContact O-NE2 3.43Å |
| 215 | P | 84.1 | Confident | 84.5 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | trans | -68.5 | 170.9 | 168.4 | 33.6 | -38.9 | 0 | 0 | 0 | 111.1 | E217 E218 Q219 | P215-E217 HydrophobicContact CB-CG 4.42Å; P215-E217 WeakPolarHBondContact CB-OE2 3.42Å; P215-E217 HydrophobicContact CG-CG 4.06Å; P215-E217 PolarHBondContact O-N 3.03Å; P215-E218 HydrophobicContact CG-CB 4.06Å; P215-E218 HydrophobicContact CG-CG 4.04Å; P215-E218 PolarHBondContact O-N 3.28Å; P215-Q219 PolarHBondContact O-NE2 3.47Å | ||
| 216 | A | 79.1 | Confident | 82.4 | Confident | 62 Ų | 62 | 48.3 Ų | 48.3 | 51% | 0.512 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -58.5 | -32.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E218 Q219 I222 | A216-E218 VanDerWaalsContact C-N 3.32Å; A216-E218 PolarHBondContact O-N 3.5Å; A216-Q219 WeakPolarHBondContact O-CG 3.47Å; A216-I222 WeakPolarHBondContact O-CG2 3.2Å |
| 217 | E | 77.5 | Confident | 80.1 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -77.2 | -11.3 | 179 | 61.1 | -98.2 | -137.5 | 0 | 0 | 115.3 | P215 F226 S228 | P215-E217 HydrophobicContact CB-CG 4.42Å; P215-E217 WeakPolarHBondContact CB-OE2 3.42Å; P215-E217 HydrophobicContact CG-CG 4.06Å; P215-E217 PolarHBondContact O-N 3.03Å; E217-F226 HydrophobicContact CB-CB 3.72Å; E217-F226 HydrophobicContact CB-CD2 4.41Å; E217-F226 HydrophobicContact CG-CB 3.78Å; E217-F226 WeakPolarHBondContact CG-O 3.46Å; E217-S228 PolarHBondContact OE1-OG 3.09Å |
| 218 | E | 86.4 | Confident | 77.5 | Confident | 40 Ų | 40 | 49 Ų | 49 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -114.6 | 14.7 | -178.9 | -72.4 | -177.4 | -134.6 | 0 | 0 | 112.5 | A184 K214 P215 A216 H229 | A184-E218 WeakPolarHBondContact CB-O 3.36Å; K214-E218 HydrophobicContact CB-CB 4.05Å; K214-E218 HydrophobicContact CD-CB 3.97Å; K214-E218 WeakPolarHBondContact CD-OE2 3.41Å; K214-E218 HydrophobicContact CG-CB 4.35Å; K214-E218 IonicContact NZ-OE2 2.82Å; K214-E218 PolarHBondContact NZ-OE2 3.28Å; P215-E218 HydrophobicContact CG-CB 4.06Å; P215-E218 HydrophobicContact CG-CG 4.04Å; P215-E218 PolarHBondContact O-N 3.28Å; A216-E218 VanDerWaalsContact C-N 3.32Å; A216-E218 PolarHBondContact O-N 3.5Å; E218-H229 IonicContact OE1-CE1 2.76Å; E218-H229 PolarHBondContact OE1-CE1 3.04Å |
| 219 | Q | 89.8 | Confident | 74.8 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -70.4 | 167.1 | 174.2 | -61.8 | -63.2 | -37.3 | 0 | 0 | 111.6 | R180 K209 R210 N211 K214 P215 A216 V221 I222 | R180-Q219 WeakPolarHBondContact CD-O 3.5Å; R180-Q219 PolarHBondContact NE-O 2.66Å; R180-Q219 VanDerWaalsContact NE-O 3.1Å; K209-Q219 VanDerWaalsContact CA-OE1 3.31Å; K209-Q219 HydrophobicContact CB-CB 4.34Å; K209-Q219 HydrophobicContact CB-CG 4.12Å; K209-Q219 HydrophobicContact CG-CB 4.14Å; K209-Q219 HydrophobicContact CG-CG 4.34Å; R210-Q219 VanDerWaalsContact N-OE1 3.14Å; N211-Q219 PolarHBondContact O-NE2 3.47Å; K214-Q219 PolarHBondContact O-NE2 3.43Å; P215-Q219 PolarHBondContact O-NE2 3.47Å; A216-Q219 WeakPolarHBondContact O-CG 3.47Å; Q219-V221 VanDerWaalsContact C-N 3.33Å; Q219-V221 WeakPolarHBondContact CB-O 3.25Å; Q219-V221 PolarHBondContact O-N 3.2Å; Q219-I222 HydrophobicContact CB-CG2 4.01Å; Q219-I222 WeakPolarHBondContact O-CG2 3.32Å |
| 220 | I | 91 | Very high | 72.3 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.108 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -59.9 | -48 | 178.5 | -66.7 | 173 | 0 | 0 | 0 | 109.9 | I181 A184 V193 Y208 | I181-I220 HydrophobicContact CG1-CG2 4.45Å; I181-I220 WeakPolarHBondContact CG1-O 3.49Å; I181-I220 HydrophobicContact CG2-CG2 4.27Å; A184-I220 HydrophobicContact CB-CB 4.4Å; A184-I220 HydrophobicContact CB-CG1 3.6Å; V193-I220 HydrophobicContact CG1-CG2 3.15Å; Y208-I220 HydrophobicContact CD1-CG2 3.93Å; Y208-I220 WeakPolarHBondContact O-CB 3.31Å; Y208-I220 PolarHBondContact O-N 3.22Å |
| 221 | V | 88.9 | Confident | 69.8 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -114.8 | 135.4 | 169.8 | 177.6 | 0 | 0 | 0 | 0 | 108 | V193 L197 S200 A202 D205 Y208 K209 Q219 | V193-V221 HydrophobicContact CG1-CG2 4.34Å; L197-V221 HydrophobicContact CD2-CG1 4.37Å; L197-V221 HydrophobicContact CD2-CG2 3.64Å; S200-V221 WeakPolarHBondContact O-CA 3.36Å; A202-V221 HydrophobicContact CB-CG1 4.04Å; D205-V221 HydrophobicContact CB-CG1 4.2Å; Y208-V221 HydrophobicContact CD1-CG2 4.21Å; Y208-V221 HydrophobicContact CD2-CG2 4.16Å; Y208-V221 HydrophobicContact CG-CB 4.39Å; Y208-V221 HydrophobicContact CG-CG2 3.72Å; K209-V221 WeakPolarHBondContact CE-O 3.23Å; K209-V221 WeakPolarHBondContact CG-O 3.18Å; Q219-V221 VanDerWaalsContact C-N 3.33Å; Q219-V221 WeakPolarHBondContact CB-O 3.25Å; Q219-V221 PolarHBondContact O-N 3.2Å |
| 222 | I | 85.3 | Confident | 67.1 | Low | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -122.9 | 139.8 | -177.1 | 60.9 | 174.5 | 0 | 0 | 0 | 111.4 | R180 S200 R201 A202 A216 Q219 T225 | R180-I222 VanDerWaalsContact NH1-CD1 3.35Å; S200-I222 PolarHBondContact O-N 2.81Å; R201-I222 CarbonylContact C-O 3.54Å; R201-I222 WeakPolarHBondContact CA-O 3.39Å; R201-I222 HydrophobicContact CB-CG1 4.39Å; R201-I222 VanDerWaalsContact CB-O 3.3Å; R201-I222 WeakPolarHBondContact CB-O 3.33Å; R201-I222 HydrophobicContact CG-CD1 4.31Å; R201-I222 HydrophobicContact CG-CG1 3.68Å; A202-I222 PolarHBondContact N-O 2.92Å; A202-I222 VanDerWaalsContact N-O 3.08Å; A216-I222 WeakPolarHBondContact O-CG2 3.2Å; Q219-I222 HydrophobicContact CB-CG2 4.01Å; Q219-I222 WeakPolarHBondContact O-CG2 3.32Å; I222-T225 HydrophobicContact CD1-CG2 3.35Å |
| 223 | G | 73.2 | Confident | 64.3 | Low | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -82.8 | -25.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V150 A202 | V150-G223 WeakPolarHBondContact CG2-O 3.27Å; A202-G223 VanDerWaalsContact O-CA 3.27Å; A202-G223 WeakPolarHBondContact O-CA 3.38Å |
| 224 | V | 67 | Low | 61.4 | Low | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -151.5 | 153.2 | 176.1 | -167.9 | 0 | 0 | 0 | 0 | 108.6 | R94 Y97 L98 F226 | R94-V224 HydrophobicContact CB-CG1 4.37Å; R94-V224 HydrophobicContact CG-CG1 3.58Å; Y97-V224 HydrophobicContact CG-CG2 4.25Å; L98-V224 HydrophobicContact CB-CG2 4.41Å; L98-V224 HydrophobicContact CD2-CB 3.72Å; L98-V224 HydrophobicContact CD2-CG2 3.78Å; L98-V224 HydrophobicContact CG-CB 4.07Å; L98-V224 HydrophobicContact CG-CG1 4.44Å; L98-V224 HydrophobicContact CG-CG2 3.92Å; V224-F226 HydrophobicContact CB-CE2 4.29Å; V224-F226 HydrophobicContact CG1-CE2 3.96Å |
| 225 | T | 50.8 | Low | 58.7 | Low | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | trans | -94.3 | 135.5 | 174.3 | 29.6 | 0 | 0 | 0 | 0 | 111.5 | L144 L145 F146 R201 I222 | L144-T225 HydrophobicContact CD2-CG2 3.53Å; L144-T225 HydrophobicContact CG-CG2 4.03Å; L145-T225 PolarHBondContact O-OG1 3.48Å; L145-T225 VanDerWaalsContact O-OG1 3.1Å; F146-T225 VanDerWaalsContact CE1-O 3.25Å; F146-T225 WeakPolarHBondContact CE1-O 3.43Å; R201-T225 PolarHBondContact NH1-OG1 3.32Å; I222-T225 HydrophobicContact CD1-CG2 3.35Å | ||
| 226 | F | 48.8 | Very low | 56.1 | Low | 58 Ų | 58 | 76 Ų | 76 | 25% | 0.254 | 39% | 0.389 | S | S | . | . | trans | -125 | 138.1 | 160.2 | -73.9 | -105.9 | 0 | 0 | 0 | 107.4 | R94 L98 L144 E217 V224 | R94-F226 HydrophobicContact CG-CE1 4.32Å; R94-F226 HydrophobicContact CG-CE2 3.8Å; R94-F226 HydrophobicContact CG-CZ 3.51Å; L98-F226 HydrophobicContact CD1-CD2 4.33Å; L98-F226 HydrophobicContact CD1-CE1 4.31Å; L98-F226 HydrophobicContact CD1-CE2 3.2Å; L98-F226 HydrophobicContact CD1-CZ 3.16Å; L98-F226 HydrophobicContact CD2-CD2 4.45Å; L98-F226 HydrophobicContact CD2-CE2 3.73Å; L98-F226 HydrophobicContact CG-CE2 3.52Å; L98-F226 HydrophobicContact CG-CZ 3.91Å; L144-F226 WeakPolarHBondContact CD2-O 3.12Å; E217-F226 HydrophobicContact CB-CB 3.72Å; E217-F226 HydrophobicContact CB-CD2 4.41Å; E217-F226 HydrophobicContact CG-CB 3.78Å; E217-F226 WeakPolarHBondContact CG-O 3.46Å; V224-F226 HydrophobicContact CB-CE2 4.29Å; V224-F226 HydrophobicContact CG1-CE2 3.96Å | ||
| 227 | S | 41 | Very low | 53.9 | Low | 42 Ų | 42 | 80.8 Ų | 80.8 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | trans | -109.4 | 98.5 | 153.1 | 177.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 228 | S | 37.6 | Very low | 51.5 | Low | 71 Ų | 71 | 88.9 Ų | 88.9 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | trans | -88 | 11.7 | 169 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | E217 P230 | E217-S228 PolarHBondContact OE1-OG 3.09Å; S228-P230 WeakPolarHBondContact O-CD 3.27Å | ||
| 229 | H | 35.1 | Very low | 48.8 | Very low | 114 Ų | 114 | 93.6 Ų | 93.6 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | trans | -78.9 | 105.8 | 176.9 | -75.6 | 81.9 | 0 | 0 | 0 | 111.2 | E218 C231 | E218-H229 IonicContact OE1-CE1 2.76Å; E218-H229 PolarHBondContact OE1-CE1 3.04Å; H229-C231 PolarHBondContact O-N 3.32Å | ||
| 230 | P | 36.9 | Very low | 45.8 | Very low | 93 Ų | 93 | 100.7 Ų | 100.7 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | trans | -67.1 | 126.9 | 149.9 | 30.1 | -32 | 0 | 0 | 0 | 107.1 | S228 Q232 | S228-P230 WeakPolarHBondContact O-CD 3.27Å; P230-Q232 PolarHBondContact O-N 3.1Å | ||
| 231 | C | 35.6 | Very low | 42.8 | Very low | 94 Ų | 94 | 104.5 Ų | 104.5 | 64% | 0.635 | 54% | 0.537 | S | S | * | . | trans | -57.3 | 106.3 | 161.1 | -177.1 | 0 | 0 | 0 | 0 | 107 | H229 F233 | H229-C231 PolarHBondContact O-N 3.32Å; C231-F233 PolarHBondContact O-N 2.79Å; C231-F233 PolarHBondContact SG-O 2.88Å; C231-F233 VanDerWaalsContact SG-O 3.36Å | ||
| 232 | Q | 32 | Very low | 39.7 | Very low | 182 Ų | 182 | 109.4 Ų | 109.4 | 85% | 0.85 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -76.2 | 18 | -178.6 | -114.5 | -179.2 | 0.8 | 0 | 0 | 113.1 | P230 | P230-Q232 PolarHBondContact O-N 3.1Š|
| 233 | F | 31 | Very low | 37 | Very low | 174 Ų | 174 | 113.7 Ų | 113.7 | 76% | 0.763 | 60% | 0.604 | S | S | * | * | trans | -137.3 | 86.2 | 176.5 | -108.7 | -98.4 | 0 | 0 | 0 | 108.3 | C231 | C231-F233 PolarHBondContact O-N 2.79Å; C231-F233 PolarHBondContact SG-O 2.88Å; C231-F233 VanDerWaalsContact SG-O 3.36Å | ||
| 234 | F | 32 | Very low | 35 | Very low | 198 Ų | 198 | 117.9 Ų | 117.9 | 87% | 0.868 | 63% | 0.631 | S | S | * | * | trans | 176 | 98.9 | 134.8 | -109.2 | -90.6 | 0 | 0 | 0 | 107.9 | ||||
| 235 | F | 30.5 | Very low | 33.3 | Very low | 202 Ų | 202 | 119.5 Ų | 119.5 | 89% | 0.886 | 64% | 0.639 | S | S | * | * | trans | -64.5 | 140.6 | 160.7 | -129.4 | -107.2 | 0 | 0 | 0 | 107.1 | ||||
| 236 | Q | 29.2 | Very low | 32.8 | Very low | 181 Ų | 181 | 121.1 Ų | 121.1 | 85% | 0.846 | 65% | 0.649 | S | S | * | * | trans | 86.9 | 68.7 | 165 | -149.9 | 164.7 | 23.9 | 0 | 0 | 116.9 | ||||
| 237 | I | 31.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 118.9 Ų | 118.9 | 84% | 0.841 | 64% | 0.64 | S | S | * | * | -152.8 | 114.9 | 126.9 | -89 | 145 | 0 | 0 | 0 | 106.1 | |||||
| 238 | K | 28.7 | Very low | 34.1 | Very low | 200 Ų | 200 | 118.2 Ų | 118.2 | 87% | 0.87 | 64% | 0.635 | S | S | * | * | trans | -118.8 | 85.4 | 176.9 | -173.5 | -173.3 | -173.7 | -172.6 | 0 | 105.3 | ||||
| 239 | L | 29.4 | Very low | 36 | Very low | 140 Ų | 140 | 117.2 Ų | 117.2 | 73% | 0.733 | 62% | 0.62 | S | S | * | * | trans | -158.4 | 118.5 | 171.1 | -94.5 | 124.5 | 0 | 0 | 0 | 110.6 | ||||
| 240 | L | 26.8 | Very low | 38.2 | Very low | 159 Ų | 159 | 115.9 Ų | 115.9 | 83% | 0.832 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 76.4 | 126.8 | 144.4 | -54.2 | 166.7 | 0 | 0 | 0 | 119.4 | ||
| 241 | A | 27.5 | Very low | 40.6 | Very low | 101 Ų | 101 | 112.8 Ų | 112.8 | 84% | 0.835 | 59% | 0.593 | S | S | * | * | trans | 75.9 | 91.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 242 | A | 24.8 | Very low | 43.1 | Very low | 104 Ų | 104 | 110.5 Ų | 110.5 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | trans | -98.7 | 95.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 243 | V | 26.7 | Very low | 45.9 | Very low | 91 Ų | 91 | 107 Ų | 107 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | trans | -132 | 108 | 164.4 | -172.8 | 0 | 0 | 0 | 0 | 107.7 | D245 | V243-D245 PolarHBondContact O-N 3.47Å; V243-D245 VanDerWaalsContact O-N 3.07Å | ||
| 244 | P | 33 | Very low | 48.8 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 59% | 0.591 | 55% | 0.552 | S | S | * | * | trans | -82.5 | 88.8 | -179.6 | 30.2 | -31.2 | 0 | 0 | 0 | 110.8 | K133 V246 | K133-P244 PolarHBondContact NZ-O 3.06Å; P244-V246 PolarHBondContact O-N 3.26Å | ||
| 245 | D | 30.6 | Very low | 51.8 | Low | 46 Ų | 46 | 94.8 Ų | 94.8 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | trans | -43 | 118.8 | 173.7 | -94.2 | -32 | 0 | 0 | 0 | 114.2 | K133 L135 V243 W351 | K133-D245 VanDerWaalsContact CD-O 3.25Å; K133-D245 WeakPolarHBondContact CD-O 3.46Å; K133-D245 WeakPolarHBondContact CE-O 3.44Å; K133-D245 WeakPolarHBondContact CG-O 3.46Å; K133-D245 PolarHBondContact NZ-O 3.32Å; L135-D245 HydrophobicContact CD2-CB 4.36Å; V243-D245 PolarHBondContact O-N 3.47Å; V243-D245 VanDerWaalsContact O-N 3.07Å; D245-W351 HydrophobicContact CB-CE3 4.21Å; D245-W351 HydrophobicContact CB-CH2 4.28Å; D245-W351 HydrophobicContact CB-CZ3 3.51Å; D245-W351 VanDerWaalsContact CG-CE3 3.45Å; D245-W351 WeakPolarHBondContact OD2-CZ3 3.26Å | ||
| 246 | V | 39.1 | Very low | 55 | Low | 39 Ų | 39 | 85.2 Ų | 85.2 | 24% | 0.236 | 47% | 0.469 | C | S | . | . | trans | -94.2 | 115.3 | 165.4 | 170.5 | 0 | 0 | 0 | 0 | 106.4 | A90 Y130 P244 C248 | A90-V246 HydrophobicContact CB-CB 3.92Å; A90-V246 HydrophobicContact CB-CG1 3.49Å; A90-V246 VanDerWaalsContact CB-CG1 3.49Å; A90-V246 HydrophobicContact CB-CG2 3.22Å; Y130-V246 HydrophobicContact CD1-CG1 3.92Å; Y130-V246 HydrophobicContact CE1-CG1 4.22Å; P244-V246 PolarHBondContact O-N 3.26Å; V246-C248 PolarHBondContact O-N 3.36Å | ||
| 247 | C | 51.1 | Low | 58.3 | Low | 11 Ų | 11 | 76.6 Ų | 76.6 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | trans | -62 | 132.6 | 166 | -81.5 | 0 | 0 | 0 | 0 | 109.7 | R132 F134 W351 | R132-C247 CarbonylContact O-C 3.44Å; R132-C247 WeakPolarHBondContact O-CA 3.13Å; R132-C247 WeakPolarHBondContact O-CB 3.08Å; F134-C247 HydrophobicContact CB-CB 4.19Å; F134-C247 WeakPolarHBondContact CB-SG 3.27Å; F134-C247 VanDerWaalsContact N-CB 3.28Å; F134-C247 PolarHBondContact N-SG 3.11Å; F134-C247 PolarHBondContact O-SG 2.99Å; F134-C247 VanDerWaalsContact O-SG 3.34Å; C247-W351 WeakPolarHBondContact SG-CH2 3.37Å | ||
| 248 | C | 66.6 | Low | 61.4 | Low | 28 Ų | 28 | 68.9 Ų | 68.9 | 19% | 0.189 | 39% | 0.389 | C | S | . | . | trans | -137 | 152.3 | 173.4 | 50.6 | 0 | 0 | 0 | 0 | 106.1 | V128 L129 Y130 V246 | V128-C248 HydrophobicContact CG1-CB 3.23Å; L129-C248 CarbonylContact O-C 3.52Å; L129-C248 WeakPolarHBondContact O-CA 3.14Å; Y130-C248 HydrophobicContact CD1-CB 4.06Å; Y130-C248 HydrophobicContact CE1-CB 4.04Å; V246-C248 PolarHBondContact O-N 3.36Å | ||
| 249 | W | 77.6 | Confident | 64.7 | Low | 49 Ų | 49 | 59.4 Ų | 59.4 | 19% | 0.186 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 104.3 | 172.6 | -178.8 | -74 | 0 | 0 | 0 | 106.8 | L129 V157 R164 L166 L251 D255 | L129-W249 HydrophobicContact CB-CB 4.1Å; L129-W249 WeakPolarHBondContact CB-O 3.43Å; L129-W249 HydrophobicContact CD2-CB 4.36Å; L129-W249 PolarHBondContact N-O 2.6Å; L129-W249 PolarHBondContact O-N 2.8Å; V157-W249 HydrophobicContact CG1-CD2 4.2Å; V157-W249 HydrophobicContact CG1-CE3 4.42Å; V157-W249 HydrophobicContact CG1-CH2 4.44Å; V157-W249 HydrophobicContact CG1-CZ2 4.14Å; R164-W249 HydrophobicContact CG-CH2 4.48Å; L166-W249 HydrophobicContact CD2-CB 4.27Å; L166-W249 HydrophobicContact CD2-CD2 4.33Å; L166-W249 HydrophobicContact CD2-CE3 4.27Å; L166-W249 HydrophobicContact CD2-CG 4.33Å; W249-L251 PolarHBondContact O-N 2.96Å; W249-D255 WeakPolarHBondContact CZ2-OD1 3.23Å; W249-D255 PolarHBondContact NE1-OD1 3.23Å; W249-D255 PolarHBondContact NE1-OD2 2.7Å |
| 250 | H | 81.7 | Confident | 68 | Low | 86 Ų | 86 | 52.7 Ų | 52.7 | 40% | 0.398 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 113.7 | 171.8 | -72.4 | -79.7 | 0 | 0 | 0 | 108.4 | S252 | H250-S252 PolarHBondContact O-N 3.11Å |
| 251 | L | 87.2 | Confident | 71.4 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | trans | -64.3 | 129.6 | 179.4 | -64.6 | 174.1 | 0 | 0 | 0 | 109.3 | I124 G127 L129 W249 D255 L321 | I124-L251 HydrophobicContact CG2-CD1 3.66Å; G127-L251 VanDerWaalsContact O-CB 3.28Å; G127-L251 WeakPolarHBondContact O-CB 3.36Å; G127-L251 WeakPolarHBondContact O-CG 3.34Å; G127-L251 PolarHBondContact O-N 3.21Å; L129-L251 HydrophobicContact CB-CD2 4.28Å; L129-L251 HydrophobicContact CB-CG 4.41Å; L129-L251 HydrophobicContact CD1-CD2 4.25Å; W249-L251 PolarHBondContact O-N 2.96Å; L251-D255 WeakPolarHBondContact CA-OD2 3.45Å; L251-D255 HydrophobicContact CD2-CB 4.38Å; L251-L321 HydrophobicContact CD1-CD2 4.22Å; L251-L321 HydrophobicContact CD2-CD1 3.78Å; L251-L321 HydrophobicContact CD2-CD2 4.38Å | ||
| 252 | S | 88.8 | Confident | 74.8 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 32% | 0.315 | 23% | 0.234 | S | C | . | . | trans | -116.6 | 169.7 | 178.5 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | H250 K254 D255 | H250-S252 PolarHBondContact O-N 3.11Å; S252-K254 PolarHBondContact O-N 3.49Å; S252-K254 VanDerWaalsContact O-N 3.1Å; S252-K254 WeakPolarHBondContact OG-CB 3.41Å; S252-K254 PolarHBondContact OG-N 3.43Å; S252-D255 PolarHBondContact N-OD2 2.93Å; S252-D255 PolarHBondContact O-N 2.59Å; S252-D255 VanDerWaalsContact O-N 3.12Å; S252-D255 PolarHBondContact OG-OD2 3.46Å; S252-D255 VanDerWaalsContact OG-OD2 3.08Å | ||
| 253 | D | 90.6 | Very high | 78.2 | Confident | 110 Ų | 110 | 36.2 Ų | 36.2 | 59% | 0.588 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.5 | 170.7 | -91.3 | -45.5 | 0 | 0 | 0 | 113.8 | R325 K333 | D253-R325 IonicContact OD1-CZ 3.43Å; D253-R325 VanDerWaalsContact OD1-CZ 3.29Å; D253-R325 IonicContact OD1-NH1 3.66Å; D253-R325 PolarHBondContact OD1-NH1 3.35Å; D253-R325 IonicContact OD1-NH2 2.66Å; D253-R325 PolarHBondContact OD1-NH2 3Å; D253-K333 WeakPolarHBondContact O-CE 3.33Å; D253-K333 PolarHBondContact O-NZ 3.32Å |
| 254 | K | 91.9 | Very high | 81.5 | Confident | 113 Ų | 113 | 32 Ų | 32 | 49% | 0.491 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -20.4 | 176.4 | -64.1 | 176.3 | 170.4 | -178.3 | 0 | 112.8 | S159 D160 S252 K333 | S159-K254 WeakPolarHBondContact CA-O 3.35Å; D160-K254 PolarHBondContact N-O 3.1Å; D160-K254 WeakPolarHBondContact OD2-CD 3.11Å; D160-K254 WeakPolarHBondContact OD2-CG 3.43Å; S252-K254 PolarHBondContact O-N 3.49Å; S252-K254 VanDerWaalsContact O-N 3.1Å; S252-K254 WeakPolarHBondContact OG-CB 3.41Å; S252-K254 PolarHBondContact OG-N 3.43Å; K254-K333 WeakPolarHBondContact O-CE 3.36Å; K254-K333 PolarHBondContact O-NZ 2.94Å |
| 255 | D | 93.7 | Very high | 84.6 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 142.9 | 178.6 | -55.1 | -43.9 | 0 | 0 | 0 | 111.2 | V157 S159 W249 L251 S252 L321 K333 | V157-D255 HydrophobicContact CG2-CB 4.36Å; S159-D255 WeakPolarHBondContact CB-OD1 3.46Å; S159-D255 PolarHBondContact OG-OD1 2.97Å; W249-D255 WeakPolarHBondContact CZ2-OD1 3.23Å; W249-D255 PolarHBondContact NE1-OD1 3.23Å; W249-D255 PolarHBondContact NE1-OD2 2.7Å; L251-D255 WeakPolarHBondContact CA-OD2 3.45Å; L251-D255 HydrophobicContact CD2-CB 4.38Å; S252-D255 PolarHBondContact N-OD2 2.93Å; S252-D255 PolarHBondContact O-N 2.59Å; S252-D255 VanDerWaalsContact O-N 3.12Å; S252-D255 PolarHBondContact OG-OD2 3.46Å; S252-D255 VanDerWaalsContact OG-OD2 3.08Å; D255-L321 HydrophobicContact CB-CD1 3.63Å; D255-K333 PolarHBondContact O-NZ 3.15Å |
| 256 | E | 97.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -52.8 | -169 | -64.6 | 179.6 | 148.5 | 0 | 0 | 112 | S158 R279 L321 L330 K333 | S158-E256 PolarHBondContact O-N 3.11Å; S158-E256 PolarHBondContact OG-OE2 3.12Å; E256-R279 IonicContact OE1-CZ 3.41Å; E256-R279 IonicContact OE1-NH1 2.69Å; E256-R279 PolarHBondContact OE1-NH1 3.05Å; E256-R279 IonicContact OE1-NH2 3.7Å; E256-R279 IonicContact OE2-CZ 3.57Å; E256-R279 IonicContact OE2-NE 3.75Å; E256-R279 IonicContact OE2-NH1 2.77Å; E256-R279 PolarHBondContact OE2-NH1 3.03Å; E256-L321 WeakPolarHBondContact O-CB 3.38Å; E256-L321 PolarHBondContact O-N 3.29Å; E256-L330 HydrophobicContact CB-CD1 3.84Å; E256-L330 HydrophobicContact CG-CD1 4.25Å; E256-L330 WeakPolarHBondContact O-CD1 3.13Å; E256-L330 WeakPolarHBondContact O-CD2 3.39Å; E256-K333 HydrophobicContact CG-CD 4.02Å; E256-K333 VanDerWaalsContact CG-CE 3.47Å |
| 257 | F | 98.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 162.1 | -179.9 | 55.8 | -95.9 | 0 | 0 | 0 | 110.3 | S158 V259 V275 C278 R279 I282 L318 V319 | S158-F257 VanDerWaalsContact CB-CZ 3.43Å; S158-F257 PolarHBondContact N-O 3.05Å; F257-V259 HydrophobicContact CD2-CG2 3.85Å; F257-V259 HydrophobicContact CE2-CG2 3.89Å; F257-V275 HydrophobicContact CE2-CG2 4.19Å; F257-V275 HydrophobicContact CZ-CB 4.41Å; F257-V275 HydrophobicContact CZ-CG1 4.07Å; F257-V275 HydrophobicContact CZ-CG2 4.44Å; F257-C278 HydrophobicContact CD2-CB 4.44Å; F257-C278 HydrophobicContact CE1-CB 4.27Å; F257-C278 HydrophobicContact CE2-CB 3.65Å; F257-C278 HydrophobicContact CZ-CB 3.55Å; F257-R279 HydrophobicContact CE1-CG 3.6Å; F257-R279 HydrophobicContact CZ-CG 3.84Å; F257-I282 HydrophobicContact CD1-CD1 3.41Å; F257-I282 VanDerWaalsContact CD1-CD1 3.41Å; F257-I282 HydrophobicContact CE1-CD1 3.66Å; F257-I282 HydrophobicContact CG-CD1 4.06Å; F257-I282 HydrophobicContact CZ-CD1 4.45Å; F257-L318 HydrophobicContact CB-CD1 3.88Å; F257-L318 HydrophobicContact CD2-CD1 3.5Å; F257-L318 HydrophobicContact CE2-CD1 4.24Å; F257-L318 HydrophobicContact CG-CD1 3.83Å; F257-V319 CarbonylContact C-O 3.52Å; F257-V319 WeakPolarHBondContact CA-O 3.47Å; F257-V319 VanDerWaalsContact CB-O 3.29Å; F257-V319 WeakPolarHBondContact CB-O 3.49Å |
| 258 | V | 97.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.4 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | V122 L129 V156 V157 L166 L260 V319 | V122-V258 HydrophobicContact CG2-CG1 4.31Å; L129-V258 HydrophobicContact CD1-CG2 3.66Å; V156-V258 CarbonylContact O-C 3.46Å; V156-V258 WeakPolarHBondContact O-CA 3.38Å; V157-V258 HydrophobicContact CB-CG2 4.3Å; V157-V258 HydrophobicContact CG2-CG2 4.08Å; L166-V258 HydrophobicContact CD1-CG1 3.7Å; V258-L260 HydrophobicContact CG1-CD1 3.9Å; V258-V319 HydrophobicContact CB-CB 4.31Å; V258-V319 PolarHBondContact N-O 2.91Å; V258-V319 PolarHBondContact O-N 3.42Å |
| 259 | V | 98.5 | Very high | 94 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.8 | 173 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | A155 V156 F257 W266 V274 V316 I317 L318 | A155-V259 CarbonylContact C-O 3.57Å; A155-V259 VanDerWaalsContact CA-O 3.24Å; A155-V259 WeakPolarHBondContact CA-O 3.42Å; V156-V259 PolarHBondContact N-O 3.21Å; V156-V259 PolarHBondContact O-N 3.14Å; F257-V259 HydrophobicContact CD2-CG2 3.85Å; F257-V259 HydrophobicContact CE2-CG2 3.89Å; V259-W266 HydrophobicContact CB-CH2 4.21Å; V259-W266 HydrophobicContact CG1-CH2 3.89Å; V259-W266 HydrophobicContact CG1-CZ2 4.02Å; V259-V274 HydrophobicContact CB-CG1 4.47Å; V259-V274 HydrophobicContact CG1-CG1 4.02Å; V259-V274 HydrophobicContact CG2-CG1 4.26Å; V259-V316 HydrophobicContact CG1-CG2 3.66Å; V259-I317 WeakPolarHBondContact CA-O 3.37Å; V259-L318 HydrophobicContact CG2-CD1 3.88Å |
| 260 | L | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.9 | 167.9 | -62.5 | 82.6 | 0 | 0 | 0 | 107.8 | F55 V57 V120 V122 R154 A155 V258 V316 I317 V319 | F55-L260 HydrophobicContact CB-CD1 4.2Å; F55-L260 HydrophobicContact CB-CD2 4.11Å; V57-L260 HydrophobicContact CG2-CB 3.93Å; V120-L260 HydrophobicContact CG1-CB 4.44Å; V122-L260 HydrophobicContact CB-CD1 4.32Å; V122-L260 HydrophobicContact CB-CD2 4.05Å; V122-L260 HydrophobicContact CG2-CD1 4.05Å; V122-L260 HydrophobicContact CG2-CD2 3.78Å; V122-L260 HydrophobicContact CG2-CG 3.98Å; R154-L260 WeakPolarHBondContact O-CA 3.43Å; A155-L260 HydrophobicContact CB-CG 4.07Å; V258-L260 HydrophobicContact CG1-CD1 3.9Å; L260-V316 CarbonylContact O-C 3.58Å; L260-V316 VanDerWaalsContact O-CA 3.31Å; L260-V316 WeakPolarHBondContact O-CA 3.47Å; L260-I317 HydrophobicContact CB-CB 4.43Å; L260-I317 PolarHBondContact N-O 2.68Å; L260-I317 PolarHBondContact O-N 2.81Å; L260-V319 HydrophobicContact CD1-CG2 4.41Å |
| 261 | A | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 161.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S153 R154 I265 W266 T315 V316 | S153-A261 WeakPolarHBondContact CA-O 3.44Å; S153-A261 WeakPolarHBondContact CB-O 3.32Å; R154-A261 PolarHBondContact N-O 2.97Å; R154-A261 PolarHBondContact O-N 3.16Å; A261-I265 HydrophobicContact CB-CB 3.94Å; A261-I265 HydrophobicContact CB-CG1 3.88Å; A261-I265 HydrophobicContact CB-CG2 4.38Å; A261-W266 VanDerWaalsContact C-NE1 3.34Å; A261-W266 HydrophobicContact CB-CZ2 3.89Å; A261-W266 PolarHBondContact O-NE1 2.81Å; A261-T315 WeakPolarHBondContact CA-O 3.29Å; A261-T315 VanDerWaalsContact CB-O 3.26Å; A261-T315 WeakPolarHBondContact CB-O 3.26Å; A261-V316 HydrophobicContact CB-CB 3.99Å; A261-V316 HydrophobicContact CB-CG2 4.02Å |
| 262 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -75 | 170.8 | 168.1 | 64 | 0 | 0 | 0 | 0 | 112 | D38 V57 D59 S153 G264 I265 T315 | D38-C262 PolarHBondContact OD2-SG 2.85Å; V57-C262 HydrophobicContact CG1-CB 4.25Å; D59-C262 HydrophobicContact CB-CB 3.88Å; D59-C262 WeakPolarHBondContact OD2-CB 3.48Å; S153-C262 WeakPolarHBondContact OG-CA 3.37Å; C262-G264 PolarHBondContact O-N 2.68Å; C262-I265 PolarHBondContact O-N 2.97Å; C262-T315 PolarHBondContact N-O 3.13Å; C262-T315 PolarHBondContact SG-N 2.7Å | ||
| 263 | D | 96.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -22.6 | -176.8 | 73.1 | -8.7 | 0 | 0 | 0 | 112.9 | I265 W266 D267 | D263-I265 CarbonylContact O-C 3.44Å; D263-I265 PolarHBondContact O-N 2.8Å; D263-W266 PolarHBondContact O-N 3.11Å; D263-D267 VanDerWaalsContact O-CB 3.27Å; D263-D267 WeakPolarHBondContact O-CB 3.26Å; D263-D267 PolarHBondContact O-N 3.16Å |
| 264 | G | 96.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -53.1 | -22.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C262 | C262-G264 PolarHBondContact O-N 2.68Å |
| 265 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -91.5 | -50.7 | 169 | -58.5 | -57.8 | 0 | 0 | 0 | 111.6 | A261 C262 D263 D267 V268 L269 V274 L295 L296 C299 M314 | A261-I265 HydrophobicContact CB-CB 3.94Å; A261-I265 HydrophobicContact CB-CG1 3.88Å; A261-I265 HydrophobicContact CB-CG2 4.38Å; C262-I265 PolarHBondContact O-N 2.97Å; D263-I265 CarbonylContact O-C 3.44Å; D263-I265 PolarHBondContact O-N 2.8Å; I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 PolarHBondContact O-N 3.1Å; I265-V268 PolarHBondContact O-N 2.91Å; I265-V268 VanDerWaalsContact O-N 3.11Å; I265-L269 PolarHBondContact O-N 2.91Å; I265-V274 HydrophobicContact CG2-CG2 4.13Å; I265-L295 HydrophobicContact CG2-CD2 4.28Å; I265-L295 HydrophobicContact CG2-CG 4.42Å; I265-L296 HydrophobicContact CD1-CD2 3.85Å; I265-C299 HydrophobicContact CD1-CB 3.91Å; I265-M314 HydrophobicContact CD1-CB 3.97Å; I265-M314 HydrophobicContact CD1-CG 4.01Å; I265-M314 HydrophobicContact CD1-SD 4.04Å |
| 266 | W | 97.2 | Very high | 97.7 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.4 | -18.4 | -170.4 | -55.1 | 117.9 | 0 | 0 | 0 | 114.7 | R154 V156 V259 A261 D263 V268 V274 | R154-W266 HydrophobicContact CB-CD2 4.22Å; R154-W266 HydrophobicContact CB-CG 4.14Å; R154-W266 HydrophobicContact CB-CZ2 4.42Å; R154-W266 WeakPolarHBondContact O-CZ2 3.26Å; R154-W266 PolarHBondContact O-NE1 2.97Å; V156-W266 HydrophobicContact CB-CH2 4.17Å; V156-W266 HydrophobicContact CG2-CH2 3.71Å; V156-W266 HydrophobicContact CG2-CZ2 4.26Å; V156-W266 HydrophobicContact CG2-CZ3 4.04Å; V259-W266 HydrophobicContact CB-CH2 4.21Å; V259-W266 HydrophobicContact CG1-CH2 3.89Å; V259-W266 HydrophobicContact CG1-CZ2 4.02Å; A261-W266 VanDerWaalsContact C-NE1 3.34Å; A261-W266 HydrophobicContact CB-CZ2 3.89Å; A261-W266 PolarHBondContact O-NE1 2.81Å; D263-W266 PolarHBondContact O-N 3.11Å; W266-V268 VanDerWaalsContact C-N 3.31Å; W266-V274 HydrophobicContact CE3-CG2 4.04Å; W266-V274 HydrophobicContact CH2-CB 4.31Å; W266-V274 HydrophobicContact CH2-CG1 3.97Å; W266-V274 HydrophobicContact CH2-CG2 4.39Å; W266-V274 HydrophobicContact CZ3-CB 3.78Å; W266-V274 HydrophobicContact CZ3-CG1 3.94Å; W266-V274 HydrophobicContact CZ3-CG2 3.6Å |
| 267 | D | 94.6 | Very high | 97.7 | Very high | 80 Ų | 80 | 22.4 Ų | 22.4 | 43% | 0.428 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -25.1 | 171.4 | -83.4 | 2.2 | 0 | 0 | 0 | 111.5 | D263 I265 L309 | D263-D267 VanDerWaalsContact O-CB 3.27Å; D263-D267 WeakPolarHBondContact O-CB 3.26Å; D263-D267 PolarHBondContact O-N 3.16Å; I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 PolarHBondContact O-N 3.1Å; D267-L309 HydrophobicContact CB-CD2 4.1Å |
| 268 | V | 96.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 22.5 Ų | 22.5 | 27% | 0.273 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -36.7 | -177.3 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | I265 W266 C299 | I265-V268 PolarHBondContact O-N 2.91Å; I265-V268 VanDerWaalsContact O-N 3.11Å; W266-V268 VanDerWaalsContact C-N 3.31Å; V268-C299 HydrophobicContact CB-CB 4.2Å; V268-C299 HydrophobicContact CG1-CB 4.34Å; V268-C299 HydrophobicContact CG2-CB 4.27Å |
| 269 | L | 97.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -127.2 | 138.2 | -176.7 | -62.4 | 177 | 0 | 0 | 0 | 111.2 | I265 E273 V274 L295 R298 C299 | I265-L269 PolarHBondContact O-N 2.91Å; L269-E273 HydrophobicContact CB-CB 4.27Å; L269-E273 HydrophobicContact CD2-CB 4.33Å; L269-V274 HydrophobicContact CB-CG2 3.66Å; L269-V274 HydrophobicContact CD1-CG2 4.14Å; L269-L295 HydrophobicContact CD1-CD1 3.64Å; L269-R298 HydrophobicContact CD1-CG 4.28Å; L269-C299 VanDerWaalsContact CD1-SG 3.55Å |
| 270 | S | 97.9 | Very high | 97.8 | Very high | 57 Ų | 57 | 29.2 Ų | 29.2 | 40% | 0.399 | 15% | 0.151 | S | C | . | . | trans | -68.8 | 162.5 | 171.7 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | Q272 E273 V274 | S270-Q272 PolarHBondContact O-N 3.14Å; S270-E273 VanDerWaalsContact CB-OE2 3.26Å; S270-E273 WeakPolarHBondContact CB-OE2 3.21Å; S270-E273 PolarHBondContact N-OE2 2.95Å; S270-E273 PolarHBondContact O-N 2.78Å; S270-E273 VanDerWaalsContact O-N 3.14Å; S270-E273 VanDerWaalsContact OG-CG 3.29Å; S270-E273 WeakPolarHBondContact OG-CG 3.43Å; S270-E273 PolarHBondContact OG-N 2.94Å; S270-E273 PolarHBondContact OG-OE2 2.81Å; S270-V274 PolarHBondContact O-N 2.78Å | ||
| 271 | N | 97.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 19% | 0.193 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -51 | -43.5 | 176.9 | -63.3 | -21.7 | 0 | 0 | 0 | 112.3 | R154 V156 A163 V275 | R154-N271 WeakPolarHBondContact CD-OD1 3.32Å; R154-N271 PolarHBondContact NH1-OD1 3.18Å; V156-N271 HydrophobicContact CG1-CB 4.36Å; V156-N271 HydrophobicContact CG2-CB 4.26Å; A163-N271 VanDerWaalsContact CB-C 3.48Å; A163-N271 HydrophobicContact CB-CB 3.84Å; A163-N271 WeakPolarHBondContact CB-O 3.42Å; N271-V275 PolarHBondContact O-N 2.77Å; N271-V275 VanDerWaalsContact O-N 3.14Å |
| 272 | Q | 98.1 | Very high | 97.8 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 23% | 0.229 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.2 | -37 | -177.4 | -167.8 | 60.7 | 65.8 | 0 | 0 | 112.4 | G161 A163 S270 V274 V275 D276 R338 | G161-Q272 PolarHBondContact O-NE2 3.35Å; A163-Q272 HydrophobicContact CB-CB 4.31Å; S270-Q272 PolarHBondContact O-N 3.14Å; Q272-V274 VanDerWaalsContact C-N 3.32Å; Q272-V274 PolarHBondContact O-N 2.78Å; Q272-V275 PolarHBondContact O-N 3.19Å; Q272-D276 PolarHBondContact NE2-OD1 3.33Å; Q272-D276 WeakPolarHBondContact O-CB 3.49Å; Q272-D276 PolarHBondContact O-N 3.2Å; Q272-R338 VanDerWaalsContact CG-NH1 3.32Å |
| 273 | E | 98.4 | Very high | 97.8 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 46% | 0.458 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.3 | -73.4 | 167.1 | 124.9 | 0 | 0 | 111.8 | L269 S270 F277 | L269-E273 HydrophobicContact CB-CB 4.27Å; L269-E273 HydrophobicContact CD2-CB 4.33Å; S270-E273 VanDerWaalsContact CB-OE2 3.26Å; S270-E273 WeakPolarHBondContact CB-OE2 3.21Å; S270-E273 PolarHBondContact N-OE2 2.95Å; S270-E273 PolarHBondContact O-N 2.78Å; S270-E273 VanDerWaalsContact O-N 3.14Å; S270-E273 VanDerWaalsContact OG-CG 3.29Å; S270-E273 WeakPolarHBondContact OG-CG 3.43Å; S270-E273 PolarHBondContact OG-N 2.94Å; S270-E273 PolarHBondContact OG-OE2 2.81Å; E273-F277 WeakPolarHBondContact O-CB 3.48Å; E273-F277 PolarHBondContact O-N 3.07Å |
| 274 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.2 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | V259 I265 W266 L269 S270 Q272 F277 C278 L295 | V259-V274 HydrophobicContact CB-CG1 4.47Å; V259-V274 HydrophobicContact CG1-CG1 4.02Å; V259-V274 HydrophobicContact CG2-CG1 4.26Å; I265-V274 HydrophobicContact CG2-CG2 4.13Å; W266-V274 HydrophobicContact CE3-CG2 4.04Å; W266-V274 HydrophobicContact CH2-CB 4.31Å; W266-V274 HydrophobicContact CH2-CG1 3.97Å; W266-V274 HydrophobicContact CH2-CG2 4.39Å; W266-V274 HydrophobicContact CZ3-CB 3.78Å; W266-V274 HydrophobicContact CZ3-CG1 3.94Å; W266-V274 HydrophobicContact CZ3-CG2 3.6Å; L269-V274 HydrophobicContact CB-CG2 3.66Å; L269-V274 HydrophobicContact CD1-CG2 4.14Å; S270-V274 PolarHBondContact O-N 2.78Å; Q272-V274 VanDerWaalsContact C-N 3.32Å; Q272-V274 PolarHBondContact O-N 2.78Å; V274-F277 PolarHBondContact O-N 3.16Å; V274-C278 PolarHBondContact O-N 2.84Å; V274-C278 PolarHBondContact O-SG 3.41Å; V274-L295 HydrophobicContact CG1-CD2 4.07Å |
| 275 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.2 | 162.9 | 0 | 0 | 0 | 0 | 111.4 | V156 S158 A163 F257 N271 Q272 F277 C278 R279 | V156-V275 HydrophobicContact CG1-CG2 4.07Å; S158-V275 WeakPolarHBondContact OG-CG1 3.36Å; A163-V275 HydrophobicContact CB-CB 4.01Å; A163-V275 HydrophobicContact CB-CG2 3.56Å; F257-V275 HydrophobicContact CE2-CG2 4.19Å; F257-V275 HydrophobicContact CZ-CB 4.41Å; F257-V275 HydrophobicContact CZ-CG1 4.07Å; F257-V275 HydrophobicContact CZ-CG2 4.44Å; N271-V275 PolarHBondContact O-N 2.77Å; N271-V275 VanDerWaalsContact O-N 3.14Å; Q272-V275 PolarHBondContact O-N 3.19Å; V275-F277 VanDerWaalsContact C-N 3.34Å; V275-F277 PolarHBondContact O-N 3.47Å; V275-C278 PolarHBondContact O-N 3.26Å; V275-R279 HydrophobicContact CG1-CG 4.32Å; V275-R279 WeakPolarHBondContact O-CB 3.22Å; V275-R279 WeakPolarHBondContact O-CG 3.28Å; V275-R279 PolarHBondContact O-N 3.36Å |
| 276 | D | 98.4 | Very high | 98 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 179.3 | -68.9 | -10.2 | 0 | 0 | 0 | 110.3 | Q272 C278 R279 E280 R338 | Q272-D276 PolarHBondContact NE2-OD1 3.33Å; Q272-D276 WeakPolarHBondContact O-CB 3.49Å; Q272-D276 PolarHBondContact O-N 3.2Å; D276-C278 PolarHBondContact O-N 2.99Å; D276-R279 PolarHBondContact O-N 3.38Å; D276-E280 VanDerWaalsContact O-CG 3.31Å; D276-E280 WeakPolarHBondContact O-CG 3.16Å; D276-E280 PolarHBondContact O-N 3.05Å; D276-R338 VanDerWaalsContact CG-NH1 3.27Å; D276-R338 IonicContact OD1-CZ 3.73Å; D276-R338 IonicContact OD1-NH1 2.73Å; D276-R338 PolarHBondContact OD1-NH1 2.86Å; D276-R338 IonicContact OD2-CZ 3.54Å; D276-R338 IonicContact OD2-NH1 2.71Å; D276-R338 PolarHBondContact OD2-NH1 2.82Å; D276-R338 IonicContact OD2-NH2 3.96Å |
| 277 | F | 98.7 | Very high | 98.1 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.8 | -45.2 | 175.3 | -178.7 | -81.6 | 0 | 0 | 0 | 112.9 | E273 V274 V275 R281 I291 E294 L295 R298 | E273-F277 WeakPolarHBondContact O-CB 3.48Å; E273-F277 PolarHBondContact O-N 3.07Å; V274-F277 PolarHBondContact O-N 3.16Å; V275-F277 VanDerWaalsContact C-N 3.34Å; V275-F277 PolarHBondContact O-N 3.47Å; F277-R281 VanDerWaalsContact CE1-CD 3.46Å; F277-R281 VanDerWaalsContact CE1-CZ 3.48Å; F277-R281 VanDerWaalsContact CZ-NH2 3.32Å; F277-R281 WeakPolarHBondContact O-CD 3.44Å; F277-R281 PolarHBondContact O-NH1 3.14Å; F277-I291 HydrophobicContact CD1-CG2 4.46Å; F277-I291 HydrophobicContact CE1-CG2 4.29Å; F277-E294 HydrophobicContact CE1-CB 4.3Å; F277-E294 HydrophobicContact CZ-CB 3.85Å; F277-L295 HydrophobicContact CD1-CB 4.26Å; F277-L295 HydrophobicContact CD1-CD1 3.9Å; F277-L295 HydrophobicContact CE1-CB 3.66Å; F277-L295 HydrophobicContact CE1-CD1 4.01Å; F277-L295 HydrophobicContact CE1-CG 4.4Å; F277-L295 HydrophobicContact CG-CD1 4.19Å; F277-L295 HydrophobicContact CZ-CB 4.15Å; F277-L295 HydrophobicContact CZ-CD1 4.36Å; F277-R298 HydrophobicContact CD2-CG 4.33Å; F277-R298 HydrophobicContact CE2-CB 3.85Å; F277-R298 HydrophobicContact CE2-CG 3.86Å; F277-R298 HydrophobicContact CZ-CB 4.25Å |
| 278 | C | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69 | -47.7 | 178.7 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | F257 V274 V275 D276 E280 R281 I282 I291 L318 | F257-C278 HydrophobicContact CD2-CB 4.44Å; F257-C278 HydrophobicContact CE1-CB 4.27Å; F257-C278 HydrophobicContact CE2-CB 3.65Å; F257-C278 HydrophobicContact CZ-CB 3.55Å; V274-C278 PolarHBondContact O-N 2.84Å; V274-C278 PolarHBondContact O-SG 3.41Å; V275-C278 PolarHBondContact O-N 3.26Å; D276-C278 PolarHBondContact O-N 2.99Å; C278-E280 PolarHBondContact O-N 2.71Å; C278-R281 PolarHBondContact O-N 3.35Å; C278-R281 VanDerWaalsContact O-N 3.11Å; C278-I282 HydrophobicContact CB-CD1 4.38Å; C278-I282 VanDerWaalsContact O-CG1 3.26Å; C278-I282 WeakPolarHBondContact O-CG1 3.39Å; C278-I282 PolarHBondContact O-N 2.99Å; C278-I291 HydrophobicContact CB-CG2 4.46Å; C278-L318 HydrophobicContact CB-CD1 4.47Å |
| 279 | R | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.9 | -47.9 | 178.3 | -79.8 | -177.7 | 65.1 | 111 | 0.3 | 112.4 | E256 F257 V275 D276 R281 I282 A283 C334 Q336 | E256-R279 IonicContact OE1-CZ 3.41Å; E256-R279 IonicContact OE1-NH1 2.69Å; E256-R279 PolarHBondContact OE1-NH1 3.05Å; E256-R279 IonicContact OE1-NH2 3.7Å; E256-R279 IonicContact OE2-CZ 3.57Å; E256-R279 IonicContact OE2-NE 3.75Å; E256-R279 IonicContact OE2-NH1 2.77Å; E256-R279 PolarHBondContact OE2-NH1 3.03Å; F257-R279 HydrophobicContact CE1-CG 3.6Å; F257-R279 HydrophobicContact CZ-CG 3.84Å; V275-R279 HydrophobicContact CG1-CG 4.32Å; V275-R279 WeakPolarHBondContact O-CB 3.22Å; V275-R279 WeakPolarHBondContact O-CG 3.28Å; V275-R279 PolarHBondContact O-N 3.36Å; D276-R279 PolarHBondContact O-N 3.38Å; R279-R281 PolarHBondContact O-N 2.98Å; R279-I282 PolarHBondContact O-N 3.07Å; R279-A283 VanDerWaalsContact O-CB 3.26Å; R279-A283 WeakPolarHBondContact O-CB 3.35Å; R279-A283 PolarHBondContact O-N 2.95Å; R279-C334 HydrophobicContact CB-CB 4.22Å; R279-C334 HydrophobicContact CG-CB 4.26Å; R279-C334 PolarHBondContact NH2-O 3.11Å; R279-C334 VanDerWaalsContact NH2-O 3.13Å; R279-Q336 PolarHBondContact NH2-O 3.1Å |
| 280 | E | 98.3 | Very high | 98.4 | Very high | 127 Ų | 127 | 45.4 Ų | 45.4 | 59% | 0.593 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57 | -36.6 | 179.6 | -75.6 | 174.2 | -179.1 | 0 | 0 | 112.4 | D276 C278 | D276-E280 VanDerWaalsContact O-CG 3.31Å; D276-E280 WeakPolarHBondContact O-CG 3.16Å; D276-E280 PolarHBondContact O-N 3.05Å; C278-E280 PolarHBondContact O-N 2.71Å |
| 281 | R | 98.7 | Very high | 98.5 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 18% | 0.181 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -83.4 | -37.7 | -179.1 | -70 | 160.8 | 174.8 | 67.9 | 6.6 | 112.8 | F277 C278 R279 A283 V284 K286 I291 E294 | F277-R281 VanDerWaalsContact CE1-CD 3.46Å; F277-R281 VanDerWaalsContact CE1-CZ 3.48Å; F277-R281 VanDerWaalsContact CZ-NH2 3.32Å; F277-R281 WeakPolarHBondContact O-CD 3.44Å; F277-R281 PolarHBondContact O-NH1 3.14Å; C278-R281 PolarHBondContact O-N 3.35Å; C278-R281 VanDerWaalsContact O-N 3.11Å; R279-R281 PolarHBondContact O-N 2.98Å; R281-A283 VanDerWaalsContact C-N 3.27Å; R281-A283 PolarHBondContact O-N 2.89Å; R281-V284 WeakPolarHBondContact O-CG2 3.15Å; R281-V284 PolarHBondContact O-N 2.84Å; R281-K286 HydrophobicContact CB-CB 4.18Å; R281-K286 HydrophobicContact CB-CD 4.21Å; R281-K286 HydrophobicContact CG-CD 4.28Å; R281-K286 VanDerWaalsContact O-CB 3.23Å; R281-K286 WeakPolarHBondContact O-CB 2.83Å; R281-K286 PolarHBondContact O-N 3.31Å; R281-I291 HydrophobicContact CB-CD1 3.63Å; R281-I291 HydrophobicContact CB-CG1 3.62Å; R281-I291 HydrophobicContact CB-CG2 4.35Å; R281-I291 HydrophobicContact CG-CG1 4.47Å; R281-E294 WeakPolarHBondContact CD-OE2 3.45Å; R281-E294 IonicContact CZ-OE2 2.65Å; R281-E294 IonicContact NE-OE2 3.5Å; R281-E294 PolarHBondContact NE-OE2 2.82Å; R281-E294 IonicContact NH2-OE2 3.51Å |
| 282 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 172.2 | -66.5 | 166.5 | 0 | 0 | 0 | 109.8 | F257 C278 R279 V284 E285 I291 L318 Y327 L330 A331 C334 | F257-I282 HydrophobicContact CD1-CD1 3.41Å; F257-I282 VanDerWaalsContact CD1-CD1 3.41Å; F257-I282 HydrophobicContact CE1-CD1 3.66Å; F257-I282 HydrophobicContact CG-CD1 4.06Å; F257-I282 HydrophobicContact CZ-CD1 4.45Å; C278-I282 HydrophobicContact CB-CD1 4.38Å; C278-I282 VanDerWaalsContact O-CG1 3.26Å; C278-I282 WeakPolarHBondContact O-CG1 3.39Å; C278-I282 PolarHBondContact O-N 2.99Å; R279-I282 PolarHBondContact O-N 3.07Å; I282-V284 PolarHBondContact O-N 3.21Å; I282-E285 WeakPolarHBondContact O-CA 3.46Å; I282-E285 PolarHBondContact O-N 3.02Å; I282-I291 HydrophobicContact CG1-CD1 3.61Å; I282-L318 HydrophobicContact CD1-CD2 4.48Å; I282-Y327 HydrophobicContact CG2-CE2 4.16Å; I282-L330 HydrophobicContact CG2-CD2 4.27Å; I282-L330 HydrophobicContact CG2-CG 3.99Å; I282-A331 WeakPolarHBondContact O-CA 3.16Å; I282-A331 WeakPolarHBondContact O-CB 3.36Å; I282-C334 HydrophobicContact CB-CB 4.25Å; I282-C334 HydrophobicContact CG2-CB 4.02Å |
| 283 | A | 98.3 | Very high | 98.6 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | R279 R281 A331 C334 A335 | R279-A283 VanDerWaalsContact O-CB 3.26Å; R279-A283 WeakPolarHBondContact O-CB 3.35Å; R279-A283 PolarHBondContact O-N 2.95Å; R281-A283 VanDerWaalsContact C-N 3.27Å; R281-A283 PolarHBondContact O-N 2.89Å; A283-A331 WeakPolarHBondContact CA-O 3.31Å; A283-C334 HydrophobicContact CB-CB 4.44Å; A283-A335 HydrophobicContact CB-CB 3.83Å |
| 284 | V | 98.2 | Very high | 98.6 | Very high | 106 Ų | 106 | 39.5 Ų | 39.5 | 64% | 0.642 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 21.8 | 174 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | R281 I282 K286 | R281-V284 WeakPolarHBondContact O-CG2 3.15Å; R281-V284 PolarHBondContact O-N 2.84Å; I282-V284 PolarHBondContact O-N 3.21Å; V284-K286 PolarHBondContact O-N 2.83Å |
| 285 | E | 98.2 | Very high | 98.6 | Very high | 93 Ų | 93 | 39.6 Ų | 39.6 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 29.5 | 177.4 | -58.1 | -174.3 | -127.7 | 0 | 0 | 113.7 | I282 K328 A331 | I282-E285 WeakPolarHBondContact O-CA 3.46Å; I282-E285 PolarHBondContact O-N 3.02Å; E285-K328 WeakPolarHBondContact OE1-CE 3.49Å; E285-K328 IonicContact OE1-NZ 3.87Å; E285-A331 HydrophobicContact CG-CB 3.64Å |
| 286 | K | 98.5 | Very high | 98.6 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | trans | -68.7 | 141.3 | 175 | -167.7 | 173 | -63.4 | -171.5 | 0 | 110.5 | R281 V284 V290 I291 E294 Y327 | R281-K286 HydrophobicContact CB-CB 4.18Å; R281-K286 HydrophobicContact CB-CD 4.21Å; R281-K286 HydrophobicContact CG-CD 4.28Å; R281-K286 VanDerWaalsContact O-CB 3.23Å; R281-K286 WeakPolarHBondContact O-CB 2.83Å; R281-K286 PolarHBondContact O-N 3.31Å; V284-K286 PolarHBondContact O-N 2.83Å; K286-V290 HydrophobicContact CD-CB 4.29Å; K286-V290 HydrophobicContact CD-CG1 3.86Å; K286-V290 HydrophobicContact CG-CB 4.06Å; K286-V290 HydrophobicContact CG-CG1 4.07Å; K286-I291 HydrophobicContact CB-CD1 4.23Å; K286-I291 HydrophobicContact CB-CG1 4.02Å; K286-I291 HydrophobicContact CD-CG1 4Å; K286-I291 HydrophobicContact CG-CG1 3.93Å; K286-E294 IonicContact NZ-OE1 3.73Å; K286-E294 PolarHBondContact NZ-OE1 3.08Å; K286-E294 IonicContact NZ-OE2 2.82Å; K286-E294 PolarHBondContact NZ-OE2 3.1Å; K286-Y327 WeakPolarHBondContact O-CE1 3.21Å; K286-Y327 PolarHBondContact O-OH 3.36Å | ||
| 287 | E | 98.5 | Very high | 98.6 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | trans | -67.7 | 137.5 | 179.1 | -65.8 | -67 | 126.1 | 0 | 0 | 111.5 | K23 D289 V290 I291 | K23-E287 WeakPolarHBondContact CE-OE2 3.44Å; K23-E287 IonicContact NZ-OE1 2.86Å; K23-E287 PolarHBondContact NZ-OE1 3.34Å; K23-E287 IonicContact NZ-OE2 3.74Å; K23-E287 PolarHBondContact NZ-OE2 2.8Å; E287-D289 VanDerWaalsContact C-N 3.28Å; E287-D289 WeakPolarHBondContact CB-OD1 3.44Å; E287-D289 PolarHBondContact O-N 3.19Å; E287-V290 HydrophobicContact CB-CG2 4.15Å; E287-V290 WeakPolarHBondContact O-CB 3.13Å; E287-V290 PolarHBondContact O-N 3.34Å; E287-V290 VanDerWaalsContact O-N 3.09Å; E287-I291 WeakPolarHBondContact O-CG1 3.3Å; E287-I291 PolarHBondContact O-N 3.35Å | ||
| 288 | P | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -33.3 | -173 | -31.2 | 39.1 | 0 | 0 | 0 | 115.7 | K23 I291 C292 L318 Y327 | K23-P288 HydrophobicContact CD-CG 4.4Å; K23-P288 HydrophobicContact CG-CG 4.03Å; P288-I291 WeakPolarHBondContact O-CB 3.4Å; P288-I291 PolarHBondContact O-N 2.82Å; P288-C292 PolarHBondContact O-N 3.04Å; P288-C292 PolarHBondContact O-SG 3.4Å; P288-L318 HydrophobicContact CB-CB 4.47Å; P288-L318 HydrophobicContact CB-CD2 3.96Å; P288-L318 HydrophobicContact CB-CG 4.23Å; P288-Y327 HydrophobicContact CG-CE2 4.49Å |
| 289 | D | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 176.4 | 60.8 | -28.8 | 0 | 0 | 0 | 111.6 | T14 E287 I291 C292 E293 | T14-D289 HydrophobicContact CG2-CB 3.64Å; E287-D289 VanDerWaalsContact C-N 3.28Å; E287-D289 WeakPolarHBondContact CB-OD1 3.44Å; E287-D289 PolarHBondContact O-N 3.19Å; D289-I291 VanDerWaalsContact C-N 3.3Å; D289-I291 PolarHBondContact O-N 2.91Å; D289-C292 WeakPolarHBondContact O-CB 3.17Å; D289-C292 PolarHBondContact O-N 3.49Å; D289-C292 VanDerWaalsContact O-N 3.16Å; D289-E293 WeakPolarHBondContact O-CG 3.33Å; D289-E293 PolarHBondContact O-N 3.11Å |
| 290 | V | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -37.4 | 172.7 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | K286 E287 C292 E293 E294 | K286-V290 HydrophobicContact CD-CB 4.29Å; K286-V290 HydrophobicContact CD-CG1 3.86Å; K286-V290 HydrophobicContact CG-CB 4.06Å; K286-V290 HydrophobicContact CG-CG1 4.07Å; E287-V290 HydrophobicContact CB-CG2 4.15Å; E287-V290 WeakPolarHBondContact O-CB 3.13Å; E287-V290 PolarHBondContact O-N 3.34Å; E287-V290 VanDerWaalsContact O-N 3.09Å; V290-C292 VanDerWaalsContact C-N 3.33Å; V290-E293 PolarHBondContact O-N 3.19Å; V290-E294 WeakPolarHBondContact O-CG 3.46Å; V290-E294 PolarHBondContact O-N 3.03Å |
| 291 | I | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 173.7 | -61.3 | 177.2 | 0 | 0 | 0 | 110.5 | F277 C278 R281 I282 K286 E287 P288 D289 E294 L295 L318 | F277-I291 HydrophobicContact CD1-CG2 4.46Å; F277-I291 HydrophobicContact CE1-CG2 4.29Å; C278-I291 HydrophobicContact CB-CG2 4.46Å; R281-I291 HydrophobicContact CB-CD1 3.63Å; R281-I291 HydrophobicContact CB-CG1 3.62Å; R281-I291 HydrophobicContact CB-CG2 4.35Å; R281-I291 HydrophobicContact CG-CG1 4.47Å; I282-I291 HydrophobicContact CG1-CD1 3.61Å; K286-I291 HydrophobicContact CB-CD1 4.23Å; K286-I291 HydrophobicContact CB-CG1 4.02Å; K286-I291 HydrophobicContact CD-CG1 4Å; K286-I291 HydrophobicContact CG-CG1 3.93Å; E287-I291 WeakPolarHBondContact O-CG1 3.3Å; E287-I291 PolarHBondContact O-N 3.35Å; P288-I291 WeakPolarHBondContact O-CB 3.4Å; P288-I291 PolarHBondContact O-N 2.82Å; D289-I291 VanDerWaalsContact C-N 3.3Å; D289-I291 PolarHBondContact O-N 2.91Å; I291-E294 PolarHBondContact O-N 3.5Å; I291-L295 WeakPolarHBondContact O-CB 3.5Å; I291-L295 PolarHBondContact O-N 3.07Å; I291-L318 HydrophobicContact CB-CD2 3.96Å; I291-L318 HydrophobicContact CD1-CD2 4.04Å; I291-L318 HydrophobicContact CG2-CD2 3.78Å |
| 292 | C | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 175.8 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | G25 P288 D289 V290 E294 L295 L296 V316 | G25-C292 PolarHBondContact O-SG 3.16Å; G25-C292 VanDerWaalsContact O-SG 3.38Å; P288-C292 PolarHBondContact O-N 3.04Å; P288-C292 PolarHBondContact O-SG 3.4Å; D289-C292 WeakPolarHBondContact O-CB 3.17Å; D289-C292 PolarHBondContact O-N 3.49Å; D289-C292 VanDerWaalsContact O-N 3.16Å; V290-C292 VanDerWaalsContact C-N 3.33Å; C292-E294 VanDerWaalsContact C-N 3.33Å; C292-E294 PolarHBondContact O-N 2.82Å; C292-L295 WeakPolarHBondContact O-CB 3.13Å; C292-L295 PolarHBondContact O-N 2.92Å; C292-L295 VanDerWaalsContact O-N 3.11Å; C292-L296 WeakPolarHBondContact O-CG 3.39Å; C292-L296 PolarHBondContact O-N 3.39Å; C292-V316 HydrophobicContact CB-CG1 3.67Å |
| 293 | E | 98.7 | Very high | 97.3 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 178.3 | -66.5 | -161.6 | 170.1 | 0 | 0 | 113.7 | R12 T14 D289 V290 L295 T297 | R12-E293 IonicContact CZ-OE2 3.43Å; R12-E293 IonicContact NH1-OE2 2.74Å; R12-E293 PolarHBondContact NH1-OE2 2.69Å; T14-E293 WeakPolarHBondContact CB-OE1 3.48Å; T14-E293 HydrophobicContact CG2-CG 4.14Å; T14-E293 WeakPolarHBondContact OG1-CG 3.36Å; T14-E293 PolarHBondContact OG1-OE1 3.47Å; D289-E293 WeakPolarHBondContact O-CG 3.33Å; D289-E293 PolarHBondContact O-N 3.11Å; V290-E293 PolarHBondContact O-N 3.19Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-T297 PolarHBondContact O-N 2.87Å; E293-T297 VanDerWaalsContact O-N 3.09Å; E293-T297 PolarHBondContact O-OG1 3.49Å |
| 294 | E | 98.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 176 | -72.6 | -175.9 | -176.8 | 0 | 0 | 111.6 | F277 R281 K286 V290 I291 C292 T297 R298 | F277-E294 HydrophobicContact CE1-CB 4.3Å; F277-E294 HydrophobicContact CZ-CB 3.85Å; R281-E294 WeakPolarHBondContact CD-OE2 3.45Å; R281-E294 IonicContact CZ-OE2 2.65Å; R281-E294 IonicContact NE-OE2 3.5Å; R281-E294 PolarHBondContact NE-OE2 2.82Å; R281-E294 IonicContact NH2-OE2 3.51Å; K286-E294 IonicContact NZ-OE1 3.73Å; K286-E294 PolarHBondContact NZ-OE1 3.08Å; K286-E294 IonicContact NZ-OE2 2.82Å; K286-E294 PolarHBondContact NZ-OE2 3.1Å; V290-E294 WeakPolarHBondContact O-CG 3.46Å; V290-E294 PolarHBondContact O-N 3.03Å; I291-E294 PolarHBondContact O-N 3.5Å; C292-E294 VanDerWaalsContact C-N 3.33Å; C292-E294 PolarHBondContact O-N 2.82Å; E294-T297 PolarHBondContact O-N 2.8Å; E294-R298 WeakPolarHBondContact O-CB 3.3Å; E294-R298 PolarHBondContact O-N 3.17Å |
| 295 | L | 98.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 176.1 | -175.4 | 59 | 0 | 0 | 0 | 111.1 | I265 L269 V274 F277 I291 C292 E293 T297 R298 C299 V316 | I265-L295 HydrophobicContact CG2-CD2 4.28Å; I265-L295 HydrophobicContact CG2-CG 4.42Å; L269-L295 HydrophobicContact CD1-CD1 3.64Å; V274-L295 HydrophobicContact CG1-CD2 4.07Å; F277-L295 HydrophobicContact CD1-CB 4.26Å; F277-L295 HydrophobicContact CD1-CD1 3.9Å; F277-L295 HydrophobicContact CE1-CB 3.66Å; F277-L295 HydrophobicContact CE1-CD1 4.01Å; F277-L295 HydrophobicContact CE1-CG 4.4Å; F277-L295 HydrophobicContact CG-CD1 4.19Å; F277-L295 HydrophobicContact CZ-CB 4.15Å; F277-L295 HydrophobicContact CZ-CD1 4.36Å; I291-L295 WeakPolarHBondContact O-CB 3.5Å; I291-L295 PolarHBondContact O-N 3.07Å; C292-L295 WeakPolarHBondContact O-CB 3.13Å; C292-L295 PolarHBondContact O-N 2.92Å; C292-L295 VanDerWaalsContact O-N 3.11Å; E293-L295 VanDerWaalsContact C-N 3.33Å; L295-T297 VanDerWaalsContact C-N 3.26Å; L295-T297 PolarHBondContact O-N 3.23Å; L295-R298 WeakPolarHBondContact O-CB 3.11Å; L295-R298 PolarHBondContact O-N 3.2Å; L295-R298 VanDerWaalsContact O-N 3.1Å; L295-C299 PolarHBondContact O-N 3.43Å; L295-V316 HydrophobicContact CD2-CG1 4.45Å; L295-V316 HydrophobicContact CD2-CG2 4.02Å |
| 296 | L | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.1 | -43.9 | 173.5 | -60.2 | -166.1 | 0 | 0 | 0 | 111.4 | S27 M29 I265 C292 R298 C299 L300 M314 V316 | S27-L296 WeakPolarHBondContact OG-CD1 3.44Å; M29-L296 HydrophobicContact CB-CD1 3.66Å; M29-L296 HydrophobicContact CE-CB 3.97Å; I265-L296 HydrophobicContact CD1-CD2 3.85Å; C292-L296 WeakPolarHBondContact O-CG 3.39Å; C292-L296 PolarHBondContact O-N 3.39Å; L296-R298 VanDerWaalsContact C-N 3.32Å; L296-R298 PolarHBondContact O-N 3.14Å; L296-C299 PolarHBondContact O-N 2.85Å; L296-L300 PolarHBondContact O-N 2.74Å; L296-M314 HydrophobicContact CD2-CB 3.75Å; L296-V316 HydrophobicContact CD2-CG1 3.8Å; L296-V316 HydrophobicContact CG-CG1 4.44Å |
| 297 | T | 97.9 | Very high | 93.2 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 179.2 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | R12 E293 E294 L295 C299 | R12-T297 PolarHBondContact NH2-OG1 3.29Å; E293-T297 PolarHBondContact O-N 2.87Å; E293-T297 VanDerWaalsContact O-N 3.09Å; E293-T297 PolarHBondContact O-OG1 3.49Å; E294-T297 PolarHBondContact O-N 2.8Å; L295-T297 VanDerWaalsContact C-N 3.26Å; L295-T297 PolarHBondContact O-N 3.23Å; T297-C299 VanDerWaalsContact C-N 3.33Å |
| 298 | R | 97.6 | Very high | 92.4 | Very high | 138 Ų | 138 | 51.1 Ų | 51.1 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.4 | -30.6 | 178.2 | 179.1 | 60.8 | -177.2 | 81.6 | 3.5 | 112.6 | L269 F277 E294 L295 L296 | L269-R298 HydrophobicContact CD1-CG 4.28Å; F277-R298 HydrophobicContact CD2-CG 4.33Å; F277-R298 HydrophobicContact CE2-CB 3.85Å; F277-R298 HydrophobicContact CE2-CG 3.86Å; F277-R298 HydrophobicContact CZ-CB 4.25Å; E294-R298 WeakPolarHBondContact O-CB 3.3Å; E294-R298 PolarHBondContact O-N 3.17Å; L295-R298 WeakPolarHBondContact O-CB 3.11Å; L295-R298 PolarHBondContact O-N 3.2Å; L295-R298 VanDerWaalsContact O-N 3.1Å; L296-R298 VanDerWaalsContact C-N 3.32Å; L296-R298 PolarHBondContact O-N 3.14Å |
| 299 | C | 97.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -88.1 | -23.8 | 178.8 | -68.5 | 0 | 0 | 0 | 0 | 113.7 | I265 V268 L269 L295 L296 T297 A301 G310 M314 | I265-C299 HydrophobicContact CD1-CB 3.91Å; V268-C299 HydrophobicContact CB-CB 4.2Å; V268-C299 HydrophobicContact CG1-CB 4.34Å; V268-C299 HydrophobicContact CG2-CB 4.27Å; L269-C299 VanDerWaalsContact CD1-SG 3.55Å; L295-C299 PolarHBondContact O-N 3.43Å; L296-C299 PolarHBondContact O-N 2.85Å; T297-C299 VanDerWaalsContact C-N 3.33Å; C299-A301 PolarHBondContact O-N 2.94Å; C299-G310 WeakPolarHBondContact O-CA 3.12Å; C299-M314 HydrophobicContact CB-SD 3.64Å |
| 300 | L | 96.9 | Very high | 91.6 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -62.8 | 124.6 | 179.5 | -177.2 | 64.3 | 0 | 0 | 0 | 111.9 | P8 T10 M29 L296 M314 | P8-L300 HydrophobicContact CB-CD1 4.13Å; P8-L300 HydrophobicContact CG-CD2 4.45Å; T10-L300 HydrophobicContact CG2-CD2 3.68Å; M29-L300 HydrophobicContact CE-CB 3.81Å; M29-L300 HydrophobicContact CE-CD1 4.02Å; M29-L300 HydrophobicContact CE-CD2 3.92Å; M29-L300 HydrophobicContact CE-CG 4.12Å; M29-L300 HydrophobicContact SD-CD2 4.32Å; L296-L300 PolarHBondContact O-N 2.74Å; L300-M314 HydrophobicContact CB-CE 4.03Å; L300-M314 HydrophobicContact CD1-CE 3.79Å |
| 301 | A | 94.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | trans | -72 | 144.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | W32 C299 D303 L309 G310 | W32-A301 PolarHBondContact NE1-O 3.07Å; C299-A301 PolarHBondContact O-N 2.94Å; A301-D303 VanDerWaalsContact CB-O 3.28Å; A301-D303 WeakPolarHBondContact CB-O 3.38Å; A301-D303 PolarHBondContact O-N 2.87Å; A301-L309 VanDerWaalsContact CB-O 3.28Å; A301-L309 WeakPolarHBondContact CB-O 3.5Å; A301-G310 PolarHBondContact N-O 3.3Å | ||
| 302 | P | 91.6 | Very high | 91.2 | Very high | 117 Ų | 117 | 53 Ų | 53 | 76% | 0.76 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -69.1 | -24.7 | 174.1 | 29.7 | -35.3 | 0 | 0 | 0 | 112.6 | W32 | W32-P302 WeakPolarHBondContact CZ2-O 3.49Š|
| 303 | D | 87.7 | Confident | 91.2 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -154.1 | 166.2 | 174.1 | 62.8 | 57.2 | 0 | 0 | 0 | 110.8 | A301 Q305 | A301-D303 VanDerWaalsContact CB-O 3.28Å; A301-D303 WeakPolarHBondContact CB-O 3.38Å; A301-D303 PolarHBondContact O-N 2.87Å; D303-Q305 VanDerWaalsContact C-N 3.3Å; D303-Q305 HydrophobicContact CB-CG 4.39Å; D303-Q305 PolarHBondContact O-N 2.65Å; D303-Q305 WeakPolarHBondContact OD1-CA 3.26Å; D303-Q305 WeakPolarHBondContact OD1-CB 3.29Å; D303-Q305 WeakPolarHBondContact OD1-CG 3.27Å; D303-Q305 PolarHBondContact OD1-N 3.43Å |
| 304 | C | 82.9 | Confident | 91.2 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 8.7 | 177.3 | -69.9 | 0 | 0 | 0 | 0 | 114.9 | W32 M306 C311 | W32-C304 VanDerWaalsContact CB-SG 3.56Å; C304-M306 VanDerWaalsContact C-N 3.33Å; C304-C311 VanDerWaalsContact CA-SG 3.55Å |
| 305 | Q | 78.5 | Confident | 91.2 | Very high | 172 Ų | 172 | 47.5 Ų | 47.5 | 80% | 0.804 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -21.4 | -172.3 | -55.4 | -174.6 | 0.6 | 0 | 0 | 112.4 | D303 G307 | D303-Q305 VanDerWaalsContact C-N 3.3Å; D303-Q305 HydrophobicContact CB-CG 4.39Å; D303-Q305 PolarHBondContact O-N 2.65Å; D303-Q305 WeakPolarHBondContact OD1-CA 3.26Å; D303-Q305 WeakPolarHBondContact OD1-CB 3.29Å; D303-Q305 WeakPolarHBondContact OD1-CG 3.27Å; D303-Q305 PolarHBondContact OD1-N 3.43Å; Q305-G307 PolarHBondContact O-N 3.16Å |
| 306 | M | 69.7 | Low | 91.2 | Very high | 135 Ų | 135 | 47.5 Ų | 47.5 | 67% | 0.665 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -83.2 | 51.4 | -175.7 | -64 | -62.5 | -68.2 | 0 | 0 | 113.3 | C304 G308 L309 | C304-M306 VanDerWaalsContact C-N 3.33Å; M306-G308 PolarHBondContact O-N 3.15Å; M306-G308 VanDerWaalsContact O-N 3.14Å; M306-L309 PolarHBondContact O-N 3.04Å |
| 307 | G | 74.9 | Confident | 91.2 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 14.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q305 L309 | Q305-G307 PolarHBondContact O-N 3.16Å; G307-L309 VanDerWaalsContact C-N 3.34Å |
| 308 | G | 81.8 | Confident | 91.2 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -2.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | M306 G310 C311 | M306-G308 PolarHBondContact O-N 3.15Å; M306-G308 VanDerWaalsContact O-N 3.14Å; G308-G310 PolarHBondContact O-N 2.86Å; G308-C311 VanDerWaalsContact O-CB 3.24Å; G308-C311 WeakPolarHBondContact O-CB 3.24Å; G308-C311 PolarHBondContact O-N 2.68Å |
| 309 | L | 89.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 37.8 Ų | 37.8 | 49% | 0.492 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 134 | 174.1 | -66.6 | 176.2 | 0 | 0 | 0 | 110 | D267 A301 M306 G307 C311 | D267-L309 HydrophobicContact CB-CD2 4.1Å; A301-L309 VanDerWaalsContact CB-O 3.28Å; A301-L309 WeakPolarHBondContact CB-O 3.5Å; M306-L309 PolarHBondContact O-N 3.04Å; G307-L309 VanDerWaalsContact C-N 3.34Å; L309-C311 PolarHBondContact O-N 2.74Å; L309-C311 PolarHBondContact O-SG 3.14Å; L309-C311 VanDerWaalsContact O-SG 3.37Å |
| 310 | G | 92.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 15 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C299 A301 G308 | C299-G310 WeakPolarHBondContact O-CA 3.12Å; A301-G310 PolarHBondContact N-O 3.3Å; G308-G310 PolarHBondContact O-N 2.86Å |
| 311 | C | 93.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 36 Ų | 36 | 8% | 0.081 | 22% | 0.217 | C | C | . | . | trans | -105.5 | 10.5 | -179.5 | -55.4 | 0 | 0 | 0 | 0 | 113.5 | W32 C304 G308 L309 | W32-C311 HydrophobicContact CB-CB 4Å; W32-C311 WeakPolarHBondContact CB-O 3.28Å; W32-C311 HydrophobicContact CG-CB 4.29Å; C304-C311 VanDerWaalsContact CA-SG 3.55Å; G308-C311 VanDerWaalsContact O-CB 3.24Å; G308-C311 WeakPolarHBondContact O-CB 3.24Å; G308-C311 PolarHBondContact O-N 2.68Å; L309-C311 PolarHBondContact O-N 2.74Å; L309-C311 PolarHBondContact O-SG 3.14Å; L309-C311 VanDerWaalsContact O-SG 3.37Å | ||
| 312 | D | 94.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -91.7 | 172.8 | -177.1 | -139.5 | -32.4 | 0 | 0 | 0 | 113.4 | R33 | R33-D312 VanDerWaalsContact CZ-CG 3.41Å; R33-D312 IonicContact CZ-OD1 3.24Å; R33-D312 IonicContact CZ-OD2 2.76Å; R33-D312 IonicContact NE-OD1 3.22Å; R33-D312 PolarHBondContact NE-OD1 3.1Å; R33-D312 VanDerWaalsContact NE-OD1 3.07Å; R33-D312 IonicContact NE-OD2 2.7Å; R33-D312 IonicContact NH1-OD1 3.32Å; R33-D312 PolarHBondContact NH1-OD1 2.85Å; R33-D312 IonicContact NH2-OD1 2.61Å; R33-D312 PolarHBondContact NH2-OD1 3.02Å; R33-D312 IonicContact NH2-OD2 3.16Å; R33-D312 PolarHBondContact NH2-OD2 2.92Å |
| 313 | N | 97.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -59.8 | 146.1 | 152.4 | -66 | 161.9 | 0 | 0 | 0 | 108.5 | Q30 R33 S35 M36 E37 D38 | Q30-N313 PolarHBondContact O-ND2 2.94Å; R33-N313 WeakPolarHBondContact CB-ND2 3.31Å; S35-N313 PolarHBondContact O-ND2 3.37Å; S35-N313 PolarHBondContact O-OD1 3.32Å; M36-N313 WeakPolarHBondContact CA-OD1 3.23Å; M36-N313 HydrophobicContact SD-CB 3.95Å; E37-N313 PolarHBondContact N-OD1 2.83Å; D38-N313 VanDerWaalsContact OD1-CB 3.32Å; D38-N313 WeakPolarHBondContact OD1-CB 3.07Å | ||
| 314 | M | 98.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.3 | 178.6 | -68.5 | 172.4 | -90.4 | 0 | 0 | 109.3 | S28 M29 I265 L296 C299 L300 | S28-M314 CarbonylContact C-O 3.58Å; S28-M314 WeakPolarHBondContact CA-O 3.28Å; M29-M314 HydrophobicContact CE-CE 3.28Å; M29-M314 HydrophobicContact CE-SD 4.3Å; M29-M314 PolarHBondContact N-O 3.46Å; M29-M314 PolarHBondContact O-N 2.95Å; I265-M314 HydrophobicContact CD1-CB 3.97Å; I265-M314 HydrophobicContact CD1-CG 4.01Å; I265-M314 HydrophobicContact CD1-SD 4.04Å; L296-M314 HydrophobicContact CD2-CB 3.75Å; C299-M314 HydrophobicContact CB-SD 3.64Å; L300-M314 HydrophobicContact CB-CE 4.03Å; L300-M314 HydrophobicContact CD1-CE 3.79Å |
| 315 | T | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.1 | 175.6 | -61.1 | 0 | 0 | 0 | 0 | 109.2 | S27 S28 D38 H40 V57 A261 C262 | S27-T315 WeakPolarHBondContact O-CA 3.31Å; S28-T315 WeakPolarHBondContact CB-OG1 3.42Å; D38-T315 VanDerWaalsContact CB-OG1 3.23Å; D38-T315 WeakPolarHBondContact CB-OG1 3.21Å; D38-T315 WeakPolarHBondContact OD2-CB 3.37Å; D38-T315 PolarHBondContact OD2-N 3.16Å; D38-T315 PolarHBondContact OD2-OG1 3.38Å; H40-T315 HydrophobicContact CB-CG2 3.83Å; V57-T315 HydrophobicContact CG1-CG2 4.05Å; V57-T315 HydrophobicContact CG2-CG2 4.32Å; A261-T315 WeakPolarHBondContact CA-O 3.29Å; A261-T315 VanDerWaalsContact CB-O 3.26Å; A261-T315 WeakPolarHBondContact CB-O 3.26Å; C262-T315 PolarHBondContact N-O 3.13Å; C262-T315 PolarHBondContact SG-N 2.7Å |
| 316 | V | 98.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.2 | 177.4 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | S26 S27 V259 L260 A261 C292 L295 L296 | S26-V316 CarbonylContact C-O 3.48Å; S26-V316 WeakPolarHBondContact CA-O 3.18Å; S26-V316 WeakPolarHBondContact CB-O 3.47Å; S27-V316 PolarHBondContact N-O 2.78Å; S27-V316 PolarHBondContact O-N 2.94Å; V259-V316 HydrophobicContact CG1-CG2 3.66Å; L260-V316 CarbonylContact O-C 3.58Å; L260-V316 VanDerWaalsContact O-CA 3.31Å; L260-V316 WeakPolarHBondContact O-CA 3.47Å; A261-V316 HydrophobicContact CB-CB 3.99Å; A261-V316 HydrophobicContact CB-CG2 4.02Å; C292-V316 HydrophobicContact CB-CG1 3.67Å; L295-V316 HydrophobicContact CD2-CG1 4.45Å; L295-V316 HydrophobicContact CD2-CG2 4.02Å; L296-V316 HydrophobicContact CD2-CG1 3.8Å; L296-V316 HydrophobicContact CG-CG1 4.44Å |
| 317 | I | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.9 | 167.8 | -51.8 | 176.8 | 0 | 0 | 0 | 107.9 | V24 G25 H40 I41 F55 G56 V57 V259 L260 V319 | V24-I317 HydrophobicContact CG1-CG2 3.73Å; G25-I317 WeakPolarHBondContact O-CA 3.39Å; H40-I317 HydrophobicContact CB-CD1 4.21Å; I41-I317 WeakPolarHBondContact O-CD1 3.47Å; F55-I317 HydrophobicContact CB-CD1 4.43Å; F55-I317 HydrophobicContact CD1-CG2 4.37Å; G56-I317 WeakPolarHBondContact O-CD1 3.45Å; V57-I317 HydrophobicContact CG2-CD1 3.81Å; V57-I317 HydrophobicContact CG2-CG1 3.84Å; V259-I317 WeakPolarHBondContact CA-O 3.37Å; L260-I317 HydrophobicContact CB-CB 4.43Å; L260-I317 PolarHBondContact N-O 2.68Å; L260-I317 PolarHBondContact O-N 2.81Å; I317-V319 HydrophobicContact CG2-CG2 3.93Å |
| 318 | L | 98.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.9 | 171.9 | 175.1 | 61.8 | 0 | 0 | 0 | 109.4 | V24 G25 F257 V259 C278 I282 P288 I291 | V24-L318 WeakPolarHBondContact CA-O 3.39Å; G25-L318 PolarHBondContact N-O 2.63Å; G25-L318 PolarHBondContact O-N 2.79Å; F257-L318 HydrophobicContact CB-CD1 3.88Å; F257-L318 HydrophobicContact CD2-CD1 3.5Å; F257-L318 HydrophobicContact CE2-CD1 4.24Å; F257-L318 HydrophobicContact CG-CD1 3.83Å; V259-L318 HydrophobicContact CG2-CD1 3.88Å; C278-L318 HydrophobicContact CB-CD1 4.47Å; I282-L318 HydrophobicContact CD1-CD2 4.48Å; P288-L318 HydrophobicContact CB-CB 4.47Å; P288-L318 HydrophobicContact CB-CD2 3.96Å; P288-L318 HydrophobicContact CB-CG 4.23Å; I291-L318 HydrophobicContact CB-CD2 3.96Å; I291-L318 HydrophobicContact CD1-CD2 4.04Å; I291-L318 HydrophobicContact CG2-CD2 3.78Å |
| 319 | V | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 97.8 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 109 | Y22 V24 F55 F257 V258 L260 I317 | Y22-V319 HydrophobicContact CD1-CG1 4.18Å; Y22-V319 HydrophobicContact CG-CG1 4.35Å; V24-V319 HydrophobicContact CG1-CG2 4.07Å; V24-V319 HydrophobicContact CG2-CB 4.37Å; V24-V319 HydrophobicContact CG2-CG1 4Å; V24-V319 HydrophobicContact CG2-CG2 4.32Å; F55-V319 HydrophobicContact CD1-CG2 3.77Å; F55-V319 HydrophobicContact CD2-CG1 4.49Å; F55-V319 HydrophobicContact CD2-CG2 3.89Å; F55-V319 HydrophobicContact CE1-CG1 4.49Å; F55-V319 HydrophobicContact CE1-CG2 3.91Å; F55-V319 HydrophobicContact CE2-CG1 3.87Å; F55-V319 HydrophobicContact CE2-CG2 4Å; F55-V319 HydrophobicContact CG-CG2 3.77Å; F55-V319 HydrophobicContact CZ-CG1 3.87Å; F55-V319 HydrophobicContact CZ-CG2 4.01Å; F257-V319 CarbonylContact C-O 3.52Å; F257-V319 WeakPolarHBondContact CA-O 3.47Å; F257-V319 VanDerWaalsContact CB-O 3.29Å; F257-V319 WeakPolarHBondContact CB-O 3.49Å; V258-V319 HydrophobicContact CB-CB 4.31Å; V258-V319 PolarHBondContact N-O 2.91Å; V258-V319 PolarHBondContact O-N 3.42Å; L260-V319 HydrophobicContact CD1-CG2 4.41Å; I317-V319 HydrophobicContact CG2-CG2 3.93Å |
| 320 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124.4 | 176.1 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | Y22 K23 I322 Y327 L330 | Y22-C320 VanDerWaalsContact CA-O 3.31Å; Y22-C320 WeakPolarHBondContact CA-O 3.01Å; K23-C320 HydrophobicContact CB-CB 4.3Å; K23-C320 PolarHBondContact N-O 3.07Å; K23-C320 WeakPolarHBondContact O-CA 3.32Å; K23-C320 WeakPolarHBondContact O-CB 3.45Å; K23-C320 PolarHBondContact O-N 3.24Å; C320-I322 PolarHBondContact O-N 3.17Å; C320-Y327 HydrophobicContact CB-CE2 4.07Å; C320-L330 HydrophobicContact CB-CD2 3.54Å |
| 321 | L | 97.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 99.3 | -178.6 | -56.7 | 171 | 0 | 0 | 0 | 109.2 | Y22 I124 L251 D255 E256 | Y22-L321 HydrophobicContact CD1-CD2 3.83Å; Y22-L321 HydrophobicContact CE1-CD2 3.7Å; I124-L321 HydrophobicContact CD1-CD2 4.42Å; L251-L321 HydrophobicContact CD1-CD2 4.22Å; L251-L321 HydrophobicContact CD2-CD1 3.78Å; L251-L321 HydrophobicContact CD2-CD2 4.38Å; D255-L321 HydrophobicContact CB-CD1 3.63Å; E256-L321 WeakPolarHBondContact O-CB 3.38Å; E256-L321 PolarHBondContact O-N 3.29Å |
| 322 | I | 96.5 | Very high | 97.3 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | trans | -100 | -23.2 | -176 | 63.3 | 168.8 | 0 | 0 | 0 | 113.2 | L21 K23 C320 N324 R325 Y327 L330 | L21-I322 VanDerWaalsContact O-CG1 3.23Å; L21-I322 WeakPolarHBondContact O-CG1 3.46Å; L21-I322 PolarHBondContact O-N 3.17Å; K23-I322 HydrophobicContact CB-CG2 4.4Å; C320-I322 PolarHBondContact O-N 3.17Å; I322-N324 PolarHBondContact O-N 2.81Å; I322-R325 WeakPolarHBondContact CB-O 3.38Å; I322-R325 VanDerWaalsContact O-CB 3.23Å; I322-R325 WeakPolarHBondContact O-CB 3.42Å; I322-R325 PolarHBondContact O-N 2.89Å; I322-Y327 HydrophobicContact CG2-CD2 4.09Å; I322-L330 HydrophobicContact CG2-CD2 4.36Å | ||
| 323 | Q | 90.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 34 Ų | 34 | 23% | 0.229 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 56 | 168.7 | -63.7 | 172.4 | -31.5 | 0 | 0 | 114.1 | L21 R325 | L21-Q323 PolarHBondContact O-N 3.01Å; Q323-R325 PolarHBondContact O-N 3.43Å |
| 324 | N | 94.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 34.2 Ų | 34.2 | 61% | 0.61 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 15.8 | -176.9 | -52.1 | -69.1 | 0 | 0 | 0 | 115 | E20 I322 | E20-N324 WeakPolarHBondContact CB-OD1 3.11Å; E20-N324 WeakPolarHBondContact O-CA 3.49Å; E20-N324 PolarHBondContact O-N 3.37Å; I322-N324 PolarHBondContact O-N 2.81Å |
| 325 | R | 96.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 37 Ų | 37 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -107.2 | 152.9 | 173.9 | -58.9 | 178.1 | -78.6 | -152.1 | -6.8 | 109.8 | D253 I322 Q323 | D253-R325 IonicContact OD1-CZ 3.43Å; D253-R325 VanDerWaalsContact OD1-CZ 3.29Å; D253-R325 IonicContact OD1-NH1 3.66Å; D253-R325 PolarHBondContact OD1-NH1 3.35Å; D253-R325 IonicContact OD1-NH2 2.66Å; D253-R325 PolarHBondContact OD1-NH2 3Å; I322-R325 WeakPolarHBondContact CB-O 3.38Å; I322-R325 VanDerWaalsContact O-CB 3.23Å; I322-R325 WeakPolarHBondContact O-CB 3.42Å; I322-R325 PolarHBondContact O-N 2.89Å; Q323-R325 PolarHBondContact O-N 3.43Å |
| 326 | P | 96.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 57% | 0.571 | 22% | 0.223 | S | C | * | . | trans | -61.9 | 148.5 | 173.1 | 27.1 | -34.5 | 0 | 0 | 0 | 110.6 | K328 S329 | P326-K328 PolarHBondContact O-N 3.43Å; P326-S329 VanDerWaalsContact O-CB 3.3Å; P326-S329 WeakPolarHBondContact O-CB 3.15Å; P326-S329 PolarHBondContact O-N 3.19Å | ||
| 327 | Y | 97.8 | Very high | 96.7 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -51.7 | -31.4 | 177.3 | -178 | -124.3 | 0 | 0 | 0 | 113.3 | K23 I282 K286 P288 C320 I322 S329 L330 A331 | K23-Y327 HydrophobicContact CD-CD1 4.26Å; K23-Y327 HydrophobicContact CD-CD2 3.97Å; K23-Y327 HydrophobicContact CD-CE2 4.42Å; K23-Y327 HydrophobicContact CD-CG 3.88Å; I282-Y327 HydrophobicContact CG2-CE2 4.16Å; K286-Y327 WeakPolarHBondContact O-CE1 3.21Å; K286-Y327 PolarHBondContact O-OH 3.36Å; P288-Y327 HydrophobicContact CG-CE2 4.49Å; C320-Y327 HydrophobicContact CB-CE2 4.07Å; I322-Y327 HydrophobicContact CG2-CD2 4.09Å; Y327-S329 PolarHBondContact O-N 3.05Å; Y327-L330 HydrophobicContact CD2-CD2 4.28Å; Y327-L330 HydrophobicContact CE2-CD2 4.09Å; Y327-L330 WeakPolarHBondContact O-CB 3.48Å; Y327-L330 PolarHBondContact O-N 2.76Å; Y327-A331 PolarHBondContact O-N 3.05Å |
| 328 | K | 97.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 48% | 0.478 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.7 | -32.5 | 173.6 | -173.2 | 166.7 | -170.7 | 165 | 0 | 114.1 | E285 P326 L330 A331 L332 | E285-K328 WeakPolarHBondContact OE1-CE 3.49Å; E285-K328 IonicContact OE1-NZ 3.87Å; P326-K328 PolarHBondContact O-N 3.43Å; K328-L330 VanDerWaalsContact C-N 3.34Å; K328-A331 WeakPolarHBondContact O-CB 3.29Å; K328-A331 PolarHBondContact O-N 3.27Å; K328-L332 WeakPolarHBondContact O-CG 3.25Å; K328-L332 PolarHBondContact O-N 2.84Å |
| 329 | S | 97.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.6 | -65 | 0 | 0 | 0 | 0 | 111.4 | P326 Y327 L332 K333 | P326-S329 VanDerWaalsContact O-CB 3.3Å; P326-S329 WeakPolarHBondContact O-CB 3.15Å; P326-S329 PolarHBondContact O-N 3.19Å; Y327-S329 PolarHBondContact O-N 3.05Å; S329-L332 PolarHBondContact O-N 2.89Å; S329-K333 PolarHBondContact O-N 3.16Å; S329-K333 VanDerWaalsContact O-N 3.14Å |
| 330 | L | 98.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 173.7 | -179.4 | 63.6 | 0 | 0 | 0 | 111.2 | E256 I282 C320 I322 Y327 K328 L332 K333 C334 | E256-L330 HydrophobicContact CB-CD1 3.84Å; E256-L330 HydrophobicContact CG-CD1 4.25Å; E256-L330 WeakPolarHBondContact O-CD1 3.13Å; E256-L330 WeakPolarHBondContact O-CD2 3.39Å; I282-L330 HydrophobicContact CG2-CD2 4.27Å; I282-L330 HydrophobicContact CG2-CG 3.99Å; C320-L330 HydrophobicContact CB-CD2 3.54Å; I322-L330 HydrophobicContact CG2-CD2 4.36Å; Y327-L330 HydrophobicContact CD2-CD2 4.28Å; Y327-L330 HydrophobicContact CE2-CD2 4.09Å; Y327-L330 WeakPolarHBondContact O-CB 3.48Å; Y327-L330 PolarHBondContact O-N 2.76Å; K328-L330 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 3.2Å; L330-K333 WeakPolarHBondContact O-CB 3.4Å; L330-K333 PolarHBondContact O-N 3.2Å; L330-K333 VanDerWaalsContact O-N 3.11Å; L330-C334 PolarHBondContact O-N 2.97Å |
| 331 | A | 98.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.2 | -48.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I282 A283 E285 Y327 K328 K333 C334 A335 | I282-A331 WeakPolarHBondContact O-CA 3.16Å; I282-A331 WeakPolarHBondContact O-CB 3.36Å; A283-A331 WeakPolarHBondContact CA-O 3.31Å; E285-A331 HydrophobicContact CG-CB 3.64Å; Y327-A331 PolarHBondContact O-N 3.05Å; K328-A331 WeakPolarHBondContact O-CB 3.29Å; K328-A331 PolarHBondContact O-N 3.27Å; A331-K333 VanDerWaalsContact C-N 3.27Å; A331-K333 PolarHBondContact O-N 3.05Å; A331-C334 PolarHBondContact O-N 3.22Å; A331-A335 WeakPolarHBondContact O-CB 3.39Å; A331-A335 PolarHBondContact O-N 3.24Å |
| 332 | L | 97.5 | Very high | 90.1 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 55% | 0.55 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 176.5 | -72.2 | 172.2 | 0 | 0 | 0 | 112.7 | K328 S329 L330 | K328-L332 WeakPolarHBondContact O-CG 3.25Å; K328-L332 PolarHBondContact O-N 2.84Å; S329-L332 PolarHBondContact O-N 2.89Å; L330-L332 PolarHBondContact O-N 3.2Å |
| 333 | K | 96.3 | Very high | 87.7 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.4 | -47.7 | 176 | -175.5 | -178.5 | 169.2 | -168.3 | 0 | 111.6 | D253 K254 D255 E256 S329 L330 A331 A335 Q336 | D253-K333 WeakPolarHBondContact O-CE 3.33Å; D253-K333 PolarHBondContact O-NZ 3.32Å; K254-K333 WeakPolarHBondContact O-CE 3.36Å; K254-K333 PolarHBondContact O-NZ 2.94Å; D255-K333 PolarHBondContact O-NZ 3.15Å; E256-K333 HydrophobicContact CG-CD 4.02Å; E256-K333 VanDerWaalsContact CG-CE 3.47Å; S329-K333 PolarHBondContact O-N 3.16Å; S329-K333 VanDerWaalsContact O-N 3.14Å; L330-K333 WeakPolarHBondContact O-CB 3.4Å; L330-K333 PolarHBondContact O-N 3.2Å; L330-K333 VanDerWaalsContact O-N 3.11Å; A331-K333 VanDerWaalsContact C-N 3.27Å; A331-K333 PolarHBondContact O-N 3.05Å; K333-A335 PolarHBondContact O-N 2.7Å; K333-Q336 WeakPolarHBondContact O-CB 3.48Å; K333-Q336 PolarHBondContact O-N 3.24Å; K333-Q336 VanDerWaalsContact O-N 3.1Å |
| 334 | C | 97.6 | Very high | 85.4 | Confident | 7 Ų | 7 | 74 Ų | 74 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.9 | -27.5 | 177.3 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | R279 I282 A283 L330 A331 Q336 | R279-C334 HydrophobicContact CB-CB 4.22Å; R279-C334 HydrophobicContact CG-CB 4.26Å; R279-C334 PolarHBondContact NH2-O 3.11Å; R279-C334 VanDerWaalsContact NH2-O 3.13Å; I282-C334 HydrophobicContact CB-CB 4.25Å; I282-C334 HydrophobicContact CG2-CB 4.02Å; A283-C334 HydrophobicContact CB-CB 4.44Å; L330-C334 PolarHBondContact O-N 2.97Å; A331-C334 PolarHBondContact O-N 3.22Å; C334-Q336 VanDerWaalsContact C-N 3.26Å; C334-Q336 PolarHBondContact O-N 3.46Å |
| 335 | A | 97.3 | Very high | 82.8 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -18.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A283 A331 K333 | A283-A335 HydrophobicContact CB-CB 3.83Å; A331-A335 WeakPolarHBondContact O-CB 3.39Å; A331-A335 PolarHBondContact O-N 3.24Å; K333-A335 PolarHBondContact O-N 2.7Å |
| 336 | Q | 94.9 | Very high | 80.1 | Confident | 120 Ų | 120 | 79.4 Ų | 79.4 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -71.2 | 143.4 | 174.8 | -59.9 | -55.1 | -36.6 | 0 | 0 | 110.6 | R279 K333 C334 | R279-Q336 PolarHBondContact NH2-O 3.1Å; K333-Q336 WeakPolarHBondContact O-CB 3.48Å; K333-Q336 PolarHBondContact O-N 3.24Å; K333-Q336 VanDerWaalsContact O-N 3.1Å; C334-Q336 VanDerWaalsContact C-N 3.26Å; C334-Q336 PolarHBondContact O-N 3.46Å |
| 337 | P | 91.1 | Very high | 77.2 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 71% | 0.708 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -63 | 148.3 | 171.4 | 28 | -33.9 | 0 | 0 | 0 | 110.3 | ||
| 338 | R | 88.5 | Confident | 74.2 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 38% | 0.377 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 143.1 | 170.7 | -62.8 | -174.3 | -59 | -145.5 | -8 | 109.9 | G161 F162 Q272 D276 S340 | G161-R338 WeakPolarHBondContact O-CD 3.45Å; F162-R338 HydrophobicContact CE2-CB 4.46Å; F162-R338 HydrophobicContact CZ-CB 4.3Å; Q272-R338 VanDerWaalsContact CG-NH1 3.32Å; D276-R338 VanDerWaalsContact CG-NH1 3.27Å; D276-R338 IonicContact OD1-CZ 3.73Å; D276-R338 IonicContact OD1-NH1 2.73Å; D276-R338 PolarHBondContact OD1-NH1 2.86Å; D276-R338 IonicContact OD2-CZ 3.54Å; D276-R338 IonicContact OD2-NH1 2.71Å; D276-R338 PolarHBondContact OD2-NH1 2.82Å; D276-R338 IonicContact OD2-NH2 3.96Å; R338-S340 PolarHBondContact O-N 2.96Å |
| 339 | P | 84 | Confident | 71.1 | Confident | 64 Ų | 64 | 78 Ų | 78 | 42% | 0.416 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 140 | 168.3 | -25.8 | 34.2 | 0 | 0 | 0 | 111.5 | S341 | P339-S341 PolarHBondContact O-N 2.75Š|
| 340 | S | 71.3 | Confident | 68 | Low | 135 Ų | 135 | 81.2 Ų | 81.2 | 94% | 0.944 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -69.1 | -19 | -174.3 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | R338 | R338-S340 PolarHBondContact O-N 2.96Š|
| 341 | S | 57.1 | Low | 64.9 | Low | 85 Ų | 85 | 83.8 Ų | 83.8 | 59% | 0.594 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -112.1 | 129.7 | 165.6 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | P339 | P339-S341 PolarHBondContact O-N 2.75Š|
| 342 | A | 52.9 | Low | 61.5 | Low | 58 Ų | 58 | 89.6 Ų | 89.6 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | trans | -51.7 | 137.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107 | F162 D344 | F162-A342 HydrophobicContact CD1-CB 4.46Å; F162-A342 HydrophobicContact CE1-CB 4.01Å; F162-A342 HydrophobicContact CZ-CB 4.14Å; A342-D344 PolarHBondContact O-N 3.05Å | ||
| 343 | P | 46 | Very low | 58.2 | Low | 49 Ų | 49 | 93.8 Ų | 93.8 | 32% | 0.318 | 52% | 0.516 | S | S | . | . | trans | -49.7 | 121.1 | 172.6 | -23.5 | 32.5 | 0 | 0 | 0 | 108.1 | K345 | P343-K345 PolarHBondContact O-N 3Š| ||
| 344 | D | 42 | Very low | 54.9 | Low | 132 Ų | 132 | 94.3 Ų | 94.3 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -41.4 | 128.1 | 175.3 | -157.2 | -0.8 | 0 | 0 | 0 | 109 | A342 D346 | A342-D344 PolarHBondContact O-N 3.05Å; D344-D346 WeakPolarHBondContact O-CA 3.23Å; D344-D346 VanDerWaalsContact O-CB 3.26Å; D344-D346 WeakPolarHBondContact O-CB 3.47Å; D344-D346 VanDerWaalsContact O-CG 3.24Å; D344-D346 PolarHBondContact O-N 3.41Å |
| 345 | K | 39.4 | Very low | 51.7 | Low | 187 Ų | 187 | 99.5 Ų | 99.5 | 81% | 0.813 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 11.9 | 18.7 | 177.2 | -69.9 | -175.3 | 178 | 177.4 | 0 | 123 | P343 | P343-K345 PolarHBondContact O-N 3Š|
| 346 | D | 39.4 | Very low | 48.3 | Very low | 133 Ų | 133 | 102.4 Ų | 102.4 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | trans | -113.8 | 25.4 | -166.2 | -63.5 | -23.7 | 0 | 0 | 0 | 111.5 | D344 Q348 | D344-D346 WeakPolarHBondContact O-CA 3.23Å; D344-D346 VanDerWaalsContact O-CB 3.26Å; D344-D346 WeakPolarHBondContact O-CB 3.47Å; D344-D346 VanDerWaalsContact O-CG 3.24Å; D344-D346 PolarHBondContact O-N 3.41Å; D346-Q348 PolarHBondContact O-N 3.08Å | ||
| 347 | G | 36 | Very low | 45.3 | Very low | 34 Ų | 34 | 101.9 Ų | 101.9 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | trans | -73.7 | 4.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 348 | Q | 35.2 | Very low | 42.4 | Very low | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -69.7 | 134.5 | 169.6 | -68.9 | -122.3 | -0.5 | 0 | 0 | 108.3 | D346 V350 | D346-Q348 PolarHBondContact O-N 3.08Å; Q348-V350 PolarHBondContact O-N 3.33Å |
| 349 | P | 33.3 | Very low | 39.7 | Very low | 39 Ų | 39 | 109.9 Ų | 109.9 | 25% | 0.253 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 131.1 | 174.6 | 20.9 | -29.7 | 0 | 0 | 0 | 109.7 | W351 | P349-W351 HydrophobicContact CG-CZ2 4.15Å; P349-W351 PolarHBondContact O-N 3.44Å; P349-W351 PolarHBondContact O-NE1 2.89Å |
| 350 | V | 31.8 | Very low | 37.2 | Very low | 115 Ų | 115 | 115.6 Ų | 115.6 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 120.8 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | Q348 | Q348-V350 PolarHBondContact O-N 3.33Š|
| 351 | W | 32.9 | Very low | 35 | Very low | 64 Ų | 64 | 118.1 Ų | 118.1 | 24% | 0.242 | 64% | 0.644 | C | S | . | * | P | Polyproline II helix | trans | -82.1 | 122.4 | 177.8 | -57.8 | 94.3 | 0 | 0 | 0 | 109.6 | F134 V136 D245 C247 P349 | F134-W351 WeakPolarHBondContact O-CH2 3.42Å; V136-W351 HydrophobicContact CG2-CD2 4.22Å; V136-W351 HydrophobicContact CG2-CH2 3.85Å; V136-W351 HydrophobicContact CG2-CZ2 3.04Å; D245-W351 HydrophobicContact CB-CE3 4.21Å; D245-W351 HydrophobicContact CB-CH2 4.28Å; D245-W351 HydrophobicContact CB-CZ3 3.51Å; D245-W351 VanDerWaalsContact CG-CE3 3.45Å; D245-W351 WeakPolarHBondContact OD2-CZ3 3.26Å; C247-W351 WeakPolarHBondContact SG-CH2 3.37Å; P349-W351 HydrophobicContact CG-CZ2 4.15Å; P349-W351 PolarHBondContact O-N 3.44Å; P349-W351 PolarHBondContact O-NE1 2.89Å |
| 352 | I | 28 | Very low | 33.5 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | trans | -109.8 | 109.9 | 169.9 | -54.5 | 178.9 | 0 | 0 | 0 | 107.1 | G354 | I352-G354 PolarHBondContact O-N 2.97Š| ||
| 353 | Y | 27.9 | Very low | 32.1 | Very low | 193 Ų | 193 | 124.3 Ų | 124.3 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | trans | -69.1 | 113.9 | 173.3 | -63.4 | -85.2 | 0 | 0 | 0 | 109.3 | ||||
| 354 | G | 27.1 | Very low | 31.2 | Very low | 58 Ų | 58 | 128.9 Ų | 128.9 | 60% | 0.598 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 121.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I352 | I352-G354 PolarHBondContact O-N 2.97Š|
| 355 | S | 30.5 | Very low | 30.4 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 138.6 | 176.1 | 32.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 356 | C | 25.6 | Very low | 30 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 132.6 | 167.3 | -159 | 0 | 0 | 0 | 0 | 108.8 | E358 | C356-E358 PolarHBondContact O-N 3.46Š|
| 357 | P | 31.7 | Very low | 29.4 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 125.6 | 173.5 | 6.9 | 7.5 | 0 | 0 | 0 | 110.3 | ||
| 358 | E | 30.3 | Very low | 29.1 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | 48.4 | 107.5 | 150.8 | -58.2 | -175.6 | 170.6 | 0 | 0 | 118.8 | C356 | C356-E358 PolarHBondContact O-N 3.46Š| ||
| 359 | E | 31.3 | Very low | 28.8 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | trans | -162.9 | 113.7 | 134.2 | -107.1 | 173.8 | -154.7 | 0 | 0 | 111.1 | ||||
| 360 | E | 31 | Very low | 28.8 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | trans | 55.1 | 108.4 | 153.8 | -62.2 | -174.6 | 163.7 | 0 | 0 | 122.4 | ||||
| 361 | E | 24.9 | Very low | 28.9 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | 44 | 94.8 | 142.8 | -65.1 | -172.9 | 163.7 | 0 | 0 | 119.3 | ||||
| 362 | T | 27 | Very low | 29.1 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -158 | 108.3 | 142.4 | 10.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 363 | T | 23.7 | Very low | 29.3 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 121.3 | 173.5 | -47.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 364 | I | 27.3 | Very low | 29.6 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -114.2 | 114.6 | 165.1 | -59.5 | 179 | 0 | 0 | 0 | 107.7 | ||||
| 365 | L | 24.3 | Very low | 29.8 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -68.7 | 126.4 | 168 | -105.1 | 86.9 | 0 | 0 | 0 | 108.9 | ||||
| 366 | C | 30.1 | Very low | 29.8 | Very low | 105 Ų | 105 | 139 Ų | 139 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -121.5 | 120 | 160.6 | -72.8 | 0 | 0 | 0 | 0 | 108.4 | L368 | C366-L368 PolarHBondContact O-N 3.14Š| ||
| 367 | D | 27.2 | Very low | 30 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -66 | 115 | 179.4 | -73 | -38.8 | 0 | 0 | 0 | 110.8 | ||||
| 368 | L | 30.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | trans | -91.2 | 106.5 | 172.4 | -61.4 | 171.2 | 0 | 0 | 0 | 108.5 | C366 Y385 | C366-L368 PolarHBondContact O-N 3.14Å; L368-Y385 HydrophobicContact CB-CE1 4.39Å; L368-Y385 HydrophobicContact CD1-CE1 4.14Å; L368-Y385 HydrophobicContact CD2-CD1 3.86Å; L368-Y385 HydrophobicContact CD2-CE1 4.3Å | ||
| 369 | L | 29.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -98.6 | 121.5 | 170.9 | -69.2 | 175.6 | 0 | 0 | 0 | 109.7 | V371 | L369-V371 PolarHBondContact O-N 3.37Š| ||
| 370 | P | 31.4 | Very low | 30.6 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | -67.7 | 130.6 | 175.1 | 25.9 | -30.9 | 0 | 0 | 0 | 110.5 | ||||
| 371 | V | 34.9 | Very low | 30.7 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 68% | 0.679 | 71% | 0.714 | S | S | * | * | trans | -115.3 | 108.7 | 173.1 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | L369 | L369-V371 PolarHBondContact O-N 3.37Š| ||
| 372 | G | 37.3 | Very low | 31.3 | Very low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 130.8 | 148.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q374 | G372-Q374 PolarHBondContact O-N 3.42Š|
| 373 | D | 32.9 | Very low | 31.9 | Very low | 169 Ų | 169 | 117.8 Ų | 117.8 | 90% | 0.904 | 68% | 0.677 | S | S | * | * | trans | -66.6 | 119.1 | -172.8 | -136.2 | -6 | 0 | 0 | 0 | 111.3 | S375 | D373-S375 PolarHBondContact O-N 2.86Š| ||
| 374 | Q | 33.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | trans | -73.2 | 95.3 | 177.6 | -73.6 | -171.9 | -21.1 | 0 | 0 | 110.2 | G372 | G372-Q374 PolarHBondContact O-N 3.42Š| ||
| 375 | S | 30.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 110.6 Ų | 110.6 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | trans | -98.2 | 103.7 | 166 | 72.2 | 0 | 0 | 0 | 0 | 110.3 | D373 V377 | D373-S375 PolarHBondContact O-N 2.86Å; S375-V377 PolarHBondContact O-N 3.46Å | ||
| 376 | L | 30.1 | Very low | 34.1 | Very low | 150 Ų | 150 | 106.5 Ų | 106.5 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | trans | -69.9 | 101.3 | 174.6 | -88.7 | 146.2 | 0 | 0 | 0 | 110.3 | ||||
| 377 | V | 29.8 | Very low | 34.8 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | trans | -130.9 | 106.9 | 166.9 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | S375 | S375-V377 PolarHBondContact O-N 3.46Š| ||
| 378 | S | 34.3 | Very low | 35.5 | Very low | 93 Ų | 93 | 103.7 Ų | 103.7 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 68.2 | 164.4 | 178.9 | 76.8 | 0 | 0 | 0 | 0 | 115.4 | Q380 | S378-Q380 PolarHBondContact O-N 2.66Š|
| 379 | A | 35.5 | Very low | 36.1 | Very low | 72 Ų | 72 | 99.5 Ų | 99.5 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -69.1 | 28.6 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | V408 | A379-V408 PolarHBondContact O-N 3.32Š|
| 380 | Q | 36.1 | Very low | 36.6 | Very low | 117 Ų | 117 | 101.8 Ų | 101.8 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.2 | 119.9 | 178.1 | -73.3 | 178.4 | -46.5 | 0 | 0 | 109.1 | S378 R406 | S378-Q380 PolarHBondContact O-N 2.66Å; Q380-R406 WeakPolarHBondContact CA-O 3.26Å |
| 381 | E | 34 | Very low | 36.9 | Very low | 78 Ų | 78 | 98.1 Ų | 98.1 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.1 | 162.3 | -86.2 | -176 | 148.7 | 0 | 0 | 108.1 | R406 V408 | E381-R406 PolarHBondContact N-O 3.36Å; E381-R406 PolarHBondContact O-N 2.97Å; E381-V408 HydrophobicContact CG-CG2 4.38Å |
| 382 | E | 37.3 | Very low | 36.9 | Very low | 152 Ų | 152 | 101.5 Ų | 101.5 | 71% | 0.71 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.7 | 167.1 | -70.5 | -173.4 | 161.8 | 0 | 0 | 108.4 | I404 | E382-I404 WeakPolarHBondContact CA-O 3.49Å |
| 383 | V | 40.7 | Very low | 37 | Very low | 41 Ų | 41 | 106.9 Ų | 106.9 | 25% | 0.248 | 58% | 0.579 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.5 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | Y385 I404 | V383-Y385 HydrophobicContact CB-CD2 4.46Å; V383-Y385 HydrophobicContact CB-CE2 3.71Å; V383-Y385 HydrophobicContact CG1-CD2 4.1Å; V383-Y385 HydrophobicContact CG1-CE1 4.13Å; V383-Y385 HydrophobicContact CG1-CE2 3.5Å; V383-I404 PolarHBondContact N-O 2.9Å; V383-I404 PolarHBondContact O-N 2.85Å; V383-I404 VanDerWaalsContact O-N 3.14Å |
| 384 | T | 38.4 | Very low | 37.2 | Very low | 60 Ų | 60 | 102.4 Ų | 102.4 | 37% | 0.368 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.5 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 109 | V401 | T384-V401 HydrophobicContact CG2-CG1 3.57Å |
| 385 | Y | 41.7 | Very low | 37.2 | Very low | 68 Ų | 68 | 100.1 Ų | 100.1 | 27% | 0.267 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.5 | 174.5 | -63.8 | -90.3 | 0 | 0 | 0 | 110.4 | L368 V383 V401 A402 I404 | L368-Y385 HydrophobicContact CB-CE1 4.39Å; L368-Y385 HydrophobicContact CD1-CE1 4.14Å; L368-Y385 HydrophobicContact CD2-CD1 3.86Å; L368-Y385 HydrophobicContact CD2-CE1 4.3Å; V383-Y385 HydrophobicContact CB-CD2 4.46Å; V383-Y385 HydrophobicContact CB-CE2 3.71Å; V383-Y385 HydrophobicContact CG1-CD2 4.1Å; V383-Y385 HydrophobicContact CG1-CE1 4.13Å; V383-Y385 HydrophobicContact CG1-CE2 3.5Å; Y385-V401 WeakPolarHBondContact O-CA 3.46Å; Y385-A402 PolarHBondContact N-O 2.86Å; Y385-A402 PolarHBondContact O-N 2.9Å; Y385-I404 HydrophobicContact CD2-CB 4.47Å; Y385-I404 HydrophobicContact CD2-CD1 3.48Å; Y385-I404 VanDerWaalsContact CD2-CD1 3.48Å; Y385-I404 HydrophobicContact CD2-CG1 3.75Å; Y385-I404 HydrophobicContact CE2-CB 4.09Å; Y385-I404 HydrophobicContact CE2-CD1 3.29Å; Y385-I404 HydrophobicContact CE2-CG1 3.74Å |
| 386 | V | 40.9 | Very low | 37.6 | Very low | 64 Ų | 64 | 98.1 Ų | 98.1 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.3 | 173.5 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | N388 P398 | V386-N388 PolarHBondContact O-N 3.34Å; V386-P398 HydrophobicContact CG1-CB 3.66Å |
| 387 | L | 44.3 | Very low | 37.9 | Very low | 89 Ų | 89 | 96.1 Ų | 96.1 | 47% | 0.466 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 107.9 | 174.7 | -68.5 | 171.4 | 0 | 0 | 0 | 109.1 | P398 V399 A400 | L387-P398 WeakPolarHBondContact O-CA 3.42Å; L387-V399 PolarHBondContact O-N 3.25Å; L387-A400 HydrophobicContact CD1-CB 4.14Å; L387-A400 PolarHBondContact N-O 2.87Å |
| 388 | N | 41.3 | Very low | 38.3 | Very low | 109 Ų | 109 | 93.4 Ų | 93.4 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.8 | 176.1 | -68.8 | -39.3 | 0 | 0 | 0 | 110.1 | V386 A396 | V386-N388 PolarHBondContact O-N 3.34Å; N388-A396 HydrophobicContact CB-CB 4.25Å |
| 389 | G | 43.5 | Very low | 38.6 | Very low | 25 Ų | 25 | 93.6 Ų | 93.6 | 26% | 0.258 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 141.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G391 A396 L397 | G389-G391 PolarHBondContact O-N 3Å; G389-A396 WeakPolarHBondContact O-CA 3.42Å; G389-L397 PolarHBondContact N-O 3.15Å; G389-L397 PolarHBondContact O-N 3.33Å; G389-L397 VanDerWaalsContact O-N 3.11Å |
| 390 | E | 39.4 | Very low | 38.9 | Very low | 195 Ų | 195 | 90.7 Ų | 90.7 | 91% | 0.911 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 111 | 171.2 | -68 | -167.7 | 155.5 | 0 | 0 | 109.8 | ||
| 391 | G | 39 | Very low | 38.9 | Very low | 27 Ų | 27 | 87 Ų | 87 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 153.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | G389 H393 G394 I395 | G389-G391 PolarHBondContact O-N 3Å; G391-H393 PolarHBondContact O-N 3.01Å; G391-G394 PolarHBondContact O-N 3.4Å; G391-I395 PolarHBondContact N-O 3.22Å |
| 392 | E | 34.4 | Very low | 39.4 | Very low | 184 Ų | 184 | 83.9 Ų | 83.9 | 86% | 0.86 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 124.9 | 164.7 | -73.1 | -174.9 | 151.8 | 0 | 0 | 108.4 | ||
| 393 | H | 39.6 | Very low | 39.4 | Very low | 179 Ų | 179 | 82 Ų | 82 | 83% | 0.829 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | 8.9 | -171.4 | -48.8 | -62.4 | 0 | 0 | 0 | 118.3 | G391 I395 | G391-H393 PolarHBondContact O-N 3.01Å; H393-I395 VanDerWaalsContact C-N 3.29Å; H393-I395 PolarHBondContact O-N 3.27Å |
| 394 | G | 37.6 | Very low | 39.5 | Very low | 75 Ų | 75 | 82.4 Ų | 82.4 | 77% | 0.773 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 24 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G391 | G391-G394 PolarHBondContact O-N 3.4Š|
| 395 | I | 32.7 | Very low | 39.6 | Very low | 106 Ų | 106 | 83.3 Ų | 83.3 | 54% | 0.544 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.9 | 173.7 | -57.4 | 174.6 | 0 | 0 | 0 | 106.8 | G391 H393 L397 | G391-I395 PolarHBondContact N-O 3.22Å; H393-I395 VanDerWaalsContact C-N 3.29Å; H393-I395 PolarHBondContact O-N 3.27Å; I395-L397 PolarHBondContact O-N 3.41Å |
| 396 | A | 38.8 | Very low | 39.8 | Very low | 63 Ų | 63 | 86.9 Ų | 86.9 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 119.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | N388 G389 | N388-A396 HydrophobicContact CB-CB 4.25Å; G389-A396 WeakPolarHBondContact O-CA 3.42Å |
| 397 | L | 35.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 91.4 Ų | 91.4 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.6 | 172.8 | -73.6 | 170.1 | 0 | 0 | 0 | 109 | G389 I395 V399 | G389-L397 PolarHBondContact N-O 3.15Å; G389-L397 PolarHBondContact O-N 3.33Å; G389-L397 VanDerWaalsContact O-N 3.11Å; I395-L397 PolarHBondContact O-N 3.41Å; L397-V399 WeakPolarHBondContact O-CG2 3.49Å; L397-V399 PolarHBondContact O-N 3.44Å |
| 398 | P | 39.6 | Very low | 39.5 | Very low | 56 Ų | 56 | 90.6 Ų | 90.6 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 118.3 | 173.3 | 25.6 | -30.3 | 0 | 0 | 0 | 109.3 | V386 L387 I431 | V386-P398 HydrophobicContact CG1-CB 3.66Å; L387-P398 WeakPolarHBondContact O-CA 3.42Å; P398-I431 HydrophobicContact CB-CD1 3.86Å; P398-I431 HydrophobicContact CG-CD1 3.89Å |
| 399 | V | 41.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 93 Ų | 93 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -27.5 | -174.9 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | L387 L397 | L387-V399 PolarHBondContact O-N 3.25Å; L397-V399 WeakPolarHBondContact O-CG2 3.49Å; L397-V399 PolarHBondContact O-N 3.44Å |
| 400 | A | 41 | Very low | 39.1 | Very low | 12 Ų | 12 | 101 Ų | 101 | 10% | 0.099 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 155.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L387 T428 | L387-A400 HydrophobicContact CD1-CB 4.14Å; L387-A400 PolarHBondContact N-O 2.87Å; A400-T428 HydrophobicContact CB-CG2 4.22Å |
| 401 | V | 36.8 | Very low | 38.9 | Very low | 39 Ų | 39 | 97.1 Ų | 97.1 | 24% | 0.236 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.7 | 169.1 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | T384 Y385 | T384-V401 HydrophobicContact CG2-CG1 3.57Å; Y385-V401 WeakPolarHBondContact O-CA 3.46Å |
| 402 | A | 42.7 | Very low | 38.7 | Very low | 13 Ų | 13 | 103.2 Ų | 103.2 | 11% | 0.107 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 129 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y385 | Y385-A402 PolarHBondContact N-O 2.86Å; Y385-A402 PolarHBondContact O-N 2.9Å |
| 403 | H | 38.8 | Very low | 38.7 | Very low | 111 Ų | 111 | 106 Ų | 106 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.3 | 170 | -77.6 | -76.6 | 0 | 0 | 0 | 108.9 | ||
| 404 | I | 43 | Very low | 38.2 | Very low | 51 Ų | 51 | 106.2 Ų | 106.2 | 26% | 0.262 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 119 | 177 | -51.4 | -169.1 | 0 | 0 | 0 | 108.2 | E382 V383 Y385 L423 | E382-I404 WeakPolarHBondContact CA-O 3.49Å; V383-I404 PolarHBondContact N-O 2.9Å; V383-I404 PolarHBondContact O-N 2.85Å; V383-I404 VanDerWaalsContact O-N 3.14Å; Y385-I404 HydrophobicContact CD2-CB 4.47Å; Y385-I404 HydrophobicContact CD2-CD1 3.48Å; Y385-I404 VanDerWaalsContact CD2-CD1 3.48Å; Y385-I404 HydrophobicContact CD2-CG1 3.75Å; Y385-I404 HydrophobicContact CE2-CB 4.09Å; Y385-I404 HydrophobicContact CE2-CD1 3.29Å; Y385-I404 HydrophobicContact CE2-CG1 3.74Å; I404-L423 HydrophobicContact CD1-CD2 4.18Å; I404-L423 HydrophobicContact CG2-CD2 4.48Å |
| 405 | S | 39.1 | Very low | 37.8 | Very low | 78 Ų | 78 | 107.5 Ų | 107.5 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.3 | 169.6 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 406 | R | 45.6 | Very low | 37.6 | Very low | 144 Ų | 144 | 108.1 Ų | 108.1 | 54% | 0.543 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 130.8 | 176.8 | -170.6 | 179.2 | -177.8 | -175.4 | 3.7 | 110.8 | Q380 E381 V408 | Q380-R406 WeakPolarHBondContact CA-O 3.26Å; E381-R406 PolarHBondContact N-O 3.36Å; E381-R406 PolarHBondContact O-N 2.97Å; R406-V408 PolarHBondContact O-N 2.79Å |
| 407 | E | 39.7 | Very low | 37.2 | Very low | 159 Ų | 159 | 113.2 Ų | 113.2 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 111 | 162.9 | -124.7 | -177.1 | -179.5 | 0 | 0 | 108.5 | Q409 | E407-Q409 PolarHBondContact O-N 2.77Å |
| 408 | V | 40.9 | Very low | 36.7 | Very low | 71 Ų | 71 | 113.5 Ų | 113.5 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | trans | -85.2 | 101.4 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 109 | A379 E381 R406 | A379-V408 PolarHBondContact O-N 3.32Å; E381-V408 HydrophobicContact CG-CG2 4.38Å; R406-V408 PolarHBondContact O-N 2.79Å | ||
| 409 | Q | 38.6 | Very low | 36.1 | Very low | 160 Ų | 160 | 116.1 Ų | 116.1 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | trans | -71.7 | 132 | 167.1 | -71.5 | -167.1 | 0.5 | 0 | 0 | 110.1 | E407 T411 | E407-Q409 PolarHBondContact O-N 2.77Å; Q409-T411 PolarHBondContact O-N 2.93Å | ||
| 410 | Q | 36.1 | Very low | 35.5 | Very low | 194 Ų | 194 | 118.4 Ų | 118.4 | 91% | 0.907 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -76.3 | 44 | -166.7 | -151.7 | 177.7 | 28 | 0 | 0 | 113.7 | ||
| 411 | T | 35.3 | Very low | 34.9 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | trans | -159.7 | 66.3 | 174.5 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | Q409 | Q409-T411 PolarHBondContact O-N 2.93Š| ||
| 412 | D | 35.3 | Very low | 34.6 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | trans | -142 | 101.1 | 158 | -87.3 | -40.3 | 0 | 0 | 0 | 110.6 | L414 | D412-L414 PolarHBondContact O-N 3.21Š| ||
| 413 | R | 34.5 | Very low | 34 | Very low | 242 Ų | 242 | 135 Ų | 135 | 91% | 0.913 | 72% | 0.717 | S | S | * | * | trans | -73.3 | 120.1 | 168.3 | -78.2 | -179.8 | 174 | -178.6 | -1.6 | 107.5 | S415 | R413-S415 PolarHBondContact O-N 3.04Š| ||
| 414 | L | 29 | Very low | 33.6 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 96% | 0.963 | 74% | 0.735 | S | S | * | * | trans | -24.5 | 101.1 | 162.1 | -69.3 | 152.7 | 0 | 0 | 0 | 113 | D412 | D412-L414 PolarHBondContact O-N 3.21Š| ||
| 415 | S | 30.2 | Very low | 33.1 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -121.1 | 119.4 | 154.8 | 58.4 | 0 | 0 | 0 | 0 | 107.8 | R413 E417 | R413-S415 PolarHBondContact O-N 3.04Å; S415-E417 VanDerWaalsContact C-N 3.35Å; S415-E417 PolarHBondContact O-N 3.16Å | ||
| 416 | S | 27.7 | Very low | 32.7 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -68 | 82.4 | 178.9 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 417 | E | 29.6 | Very low | 32.1 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -166.7 | 109.8 | 170.1 | -107 | 153.9 | -148.4 | 0 | 0 | 109.6 | S415 | S415-E417 VanDerWaalsContact C-N 3.35Å; S415-E417 PolarHBondContact O-N 3.16Å |
| 418 | S | 26.8 | Very low | 31.9 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 49.2 | 79 | 159.5 | 62.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 419 | C | 26.5 | Very low | 31.8 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -100.7 | 97.4 | 153.6 | -88.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 420 | V | 28.1 | Very low | 31.6 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | trans | -93.4 | 82 | 161.1 | -175.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 421 | E | 29.4 | Very low | 31.6 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | -104.8 | 131.2 | 174.1 | -76.7 | -173.6 | 160.2 | 0 | 0 | 109.7 | L423 | E421-L423 PolarHBondContact O-N 2.84Š| ||
| 422 | T | 30.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | trans | -67.9 | 111.6 | 177.5 | -44.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 423 | L | 29.9 | Very low | 31.4 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 63% | 0.634 | 74% | 0.739 | S | S | * | * | trans | -85.2 | 120.2 | 176 | -84.4 | 153.7 | 0 | 0 | 0 | 110.2 | I404 E421 I425 | I404-L423 HydrophobicContact CD1-CD2 4.18Å; I404-L423 HydrophobicContact CG2-CD2 4.48Å; E421-L423 PolarHBondContact O-N 2.84Å; L423-I425 PolarHBondContact O-N 2.92Å | ||
| 424 | E | 29.6 | Very low | 31.2 | Very low | 190 Ų | 190 | 120.9 Ų | 120.9 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -74.4 | 115.1 | 167 | -75.7 | -173 | 158.6 | 0 | 0 | 109.5 | A426 | E424-A426 PolarHBondContact O-N 3.17Š| ||
| 425 | I | 32.7 | Very low | 31.3 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | trans | -80.7 | 106.9 | 176.2 | -60.4 | 172.6 | 0 | 0 | 0 | 108.2 | L423 G427 T428 | L423-I425 PolarHBondContact O-N 2.92Å; I425-G427 PolarHBondContact O-N 3.11Å; I425-T428 HydrophobicContact CG2-CG2 4.09Å | ||
| 426 | A | 31.7 | Very low | 31.2 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | -75.5 | 69.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | E424 | E424-A426 PolarHBondContact O-N 3.17Š| ||
| 427 | G | 32.9 | Very low | 31.4 | Very low | 36 Ų | 36 | 124.7 Ų | 124.7 | 37% | 0.371 | 73% | 0.729 | S | S | . | * | trans | 82.6 | 149.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I425 | I425-G427 PolarHBondContact O-N 3.11Š| ||
| 428 | T | 35 | Very low | 31.5 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 55% | 0.546 | 72% | 0.723 | S | S | . | * | trans | -126.9 | 132.7 | 171.6 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | A400 I425 | A400-T428 HydrophobicContact CB-CG2 4.22Å; I425-T428 HydrophobicContact CG2-CG2 4.09Å | ||
| 429 | Y | 37.9 | Very low | 31.7 | Very low | 173 Ų | 173 | 122.1 Ų | 122.1 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | -109.4 | 129.4 | 174.6 | -59.6 | -84.4 | 0 | 0 | 0 | 110 | I431 | Y429-I431 PolarHBondContact O-N 3.25Š| ||
| 430 | P | 35.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -69.3 | 128.6 | 171.4 | 26.9 | -30.4 | 0 | 0 | 0 | 109.5 | S432 | P430-S432 PolarHBondContact O-N 2.86Å; P430-S432 VanDerWaalsContact O-N 3.11Å | ||
| 431 | I | 36.2 | Very low | 32.5 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 51% | 0.513 | 72% | 0.724 | S | S | . | * | trans | -72.6 | 106.2 | 170.7 | -58.2 | 176.7 | 0 | 0 | 0 | 107.2 | P398 Y429 A433 | P398-I431 HydrophobicContact CB-CD1 3.86Å; P398-I431 HydrophobicContact CG-CD1 3.89Å; Y429-I431 PolarHBondContact O-N 3.25Å; I431-A433 PolarHBondContact O-N 3.19Å | ||
| 432 | S | 36.9 | Very low | 32.9 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -64.6 | 117.9 | 170.7 | 59.6 | 0 | 0 | 0 | 0 | 109.2 | P430 G434 | P430-S432 PolarHBondContact O-N 2.86Å; P430-S432 VanDerWaalsContact O-N 3.11Å; S432-G434 PolarHBondContact O-N 2.98Å | ||
| 433 | A | 30.2 | Very low | 33 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 93% | 0.926 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -59.7 | 98.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | I431 | I431-A433 PolarHBondContact O-N 3.19Š|
| 434 | G | 30.2 | Very low | 33.3 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | 151.2 | 44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118 | S432 | S432-G434 PolarHBondContact O-N 2.98Š| ||
| 435 | Q | 29.7 | Very low | 33.6 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -143.1 | 91.9 | 151.2 | -75.6 | -165.6 | -39.2 | 0 | 0 | 109.2 | V437 | Q435-V437 PolarHBondContact O-N 3Å; Q435-V437 VanDerWaalsContact O-N 3.11Å | ||
| 436 | N | 30.2 | Very low | 33.7 | Very low | 166 Ų | 166 | 125 Ų | 125 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -64.1 | 104.9 | 159 | -79.1 | -29.3 | 0 | 0 | 0 | 107.3 | A438 | N436-A438 PolarHBondContact O-N 2.93Å; N436-A438 VanDerWaalsContact O-N 3.07Å | ||
| 437 | V | 31.6 | Very low | 33.9 | Very low | 141 Ų | 141 | 127 Ų | 127 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | -76.8 | 82.5 | 157.8 | -176.7 | 0 | 0 | 0 | 0 | 106 | Q435 | Q435-V437 PolarHBondContact O-N 3Å; Q435-V437 VanDerWaalsContact O-N 3.11Å | ||
| 438 | A | 30.9 | Very low | 34 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -105.9 | 98 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | N436 | N436-A438 PolarHBondContact O-N 2.93Å; N436-A438 VanDerWaalsContact O-N 3.07Å | ||
| 439 | D | 31.7 | Very low | 33.9 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -163.3 | 85.5 | 155.5 | -92.4 | -26.7 | 0 | 0 | 0 | 106.8 | ||||
| 440 | T | 35.3 | Very low | 33.7 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -174.9 | 101.8 | 147.1 | 18.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 441 | E | 35.8 | Very low | 33.7 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 68.9 | 124.1 | 139.3 | -62.2 | -173.9 | 160.1 | 0 | 0 | 121.6 | ||||
| 442 | E | 36.3 | Very low | 33.7 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | 77.4 | 122.9 | 149.3 | -68.7 | -174.6 | 156.5 | 0 | 0 | 120.7 | ||||
| 443 | G | 34 | Very low | 33.5 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 125.9 | 65.5 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 444 | D | 34.8 | Very low | 33.7 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | 56.1 | 123.3 | 126.2 | -131.7 | 6.8 | 0 | 0 | 0 | 121 | |||||
| 445 | K | 37.1 | Very low | 33.8 | Very low | 166 Ų | 166 | 138 Ų | 138 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 103.4 | 104 | 147.2 | -59.3 | 173.1 | -172.3 | 169.7 | 0 | 119.8 | ||||
| 446 | N | 34 | Very low | 34.3 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | 43.2 | 125.3 | 125.4 | -72.8 | -17.8 | 0 | 0 | 0 | 118.8 | |||||
| 447 | V | 35.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 76% | 0.758 | 82% | 0.815 | S | S | * | * | 174 | 116.5 | 93.3 | 170.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 448 | D | 35.1 | Very low | 34.6 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 32.3 | 117.3 | 137.2 | -62.6 | -36.3 | 0 | 0 | 0 | 123.1 | ||||
| 449 | A | 34.4 | Very low | 34.8 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | 89.7 | 135.2 | 109.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 450 | C | 32.5 | Very low | 35 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 73% | 0.73 | 82% | 0.822 | S | S | * | * | trans | 104.1 | 99.2 | 133.2 | -88.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 451 | T | 35 | Very low | 35 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | 65.1 | 131.7 | 116.1 | 56.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 452 | G | 37.5 | Very low | 34.9 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 133.2 | 83.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 453 | C | 32.3 | Very low | 34.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | 72.3 | 114.3 | 79.5 | -148.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 454 | T | 34.9 | Very low | 34.9 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | trans | 73.1 | 117.6 | 141.8 | 47.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 455 | R | 30.8 | Very low | 34.9 | Very low | 237 Ų | 237 | 139.4 Ų | 139.4 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | 62.7 | 121.6 | 126.7 | -70.1 | -178 | 176.1 | -175.6 | -1.8 | 120.1 | |||||
| 456 | C | 40.1 | Very low | 34.7 | Very low | 208 Ų | 208 | 137 Ų | 137 | 100% | 1.405 | 84% | 0.836 | S | S | * | * | -142.5 | 0 | 104.8 | -125.2 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 456 of 456 residues in 185.7 ms
(Link to these results)