| 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 | 28.9 | Very low | 46.6 | Very low | 203 Ų | 203 | 75.2 Ų | 75.2 | 100% | 1 | 46% | 0.455 | S | S | * | . | 0 | 40.4 | 0 | -70.4 | 167.5 | 161.9 | 0 | 0 | 110.9 | G3 | M1-G3 PolarHBondContact O-N 3.09Š| |||
| 2 | N | 30 | Very low | 47.8 | Very low | 110 Ų | 110 | 69 Ų | 69 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.1 | -152.1 | -59 | 23.2 | 0 | 0 | 0 | 114.5 | ||
| 3 | G | 34.7 | Very low | 48.2 | Very low | 75 Ų | 75 | 67.4 Ų | 67.4 | 77% | 0.773 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | M1 | M1-G3 PolarHBondContact O-N 3.09Š|
| 4 | S | 42.2 | Very low | 48.5 | Very low | 96 Ų | 96 | 63.6 Ų | 63.6 | 67% | 0.671 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -121.8 | 1.8 | -169 | 61.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 5 | M | 50.8 | Low | 48.3 | Very low | 36 Ų | 36 | 69.1 Ų | 69.1 | 18% | 0.177 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -79.1 | -29.5 | -175.1 | -70.7 | -165.9 | -68.1 | 0 | 0 | 114.4 | V267 V308 L312 | M5-V267 HydrophobicContact CE-CG2 4.12Å; M5-V308 WeakPolarHBondContact O-CA 3.25Å; M5-V308 WeakPolarHBondContact O-CG1 3.37Å; M5-L312 HydrophobicContact CB-CD1 4.3Å; M5-L312 HydrophobicContact CG-CB 4.27Å; M5-L312 HydrophobicContact CG-CD1 4.15Å; M5-L312 HydrophobicContact SD-CB 4.41Å |
| 6 | A | 50.5 | Low | 48.1 | Very low | 18 Ų | 18 | 69.7 Ų | 69.7 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L272 S307 V308 | A6-L272 HydrophobicContact CB-CD1 3.76Å; A6-L272 HydrophobicContact CB-CD2 3.95Å; A6-S307 CarbonylContact C-O 3.56Å; A6-S307 WeakPolarHBondContact CA-O 3.28Å; A6-V308 HydrophobicContact CB-CG2 3.95Å |
| 7 | C | 48.5 | Very low | 47.9 | Very low | 84 Ų | 84 | 71.3 Ų | 71.3 | 57% | 0.568 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.5 | 171.6 | -171 | 0 | 0 | 0 | 0 | 109.7 | I9 L306 S307 | C7-I9 PolarHBondContact O-N 3.48Å; C7-L306 WeakPolarHBondContact O-CA 3.29Å; C7-S307 PolarHBondContact N-O 3.46Å; C7-S307 PolarHBondContact O-N 3Å |
| 8 | K | 57.7 | Low | 48.2 | Very low | 89 Ų | 89 | 70.9 Ų | 70.9 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 103.3 | 167.8 | 178.5 | -177.9 | 168.1 | 174.7 | 0 | 108.2 | S11 E302 C304 L306 | K8-S11 WeakPolarHBondContact CE-OG 3.36Å; K8-S11 PolarHBondContact NZ-OG 2.62Å; K8-E302 IonicContact NZ-OE2 3.86Å; K8-C304 WeakPolarHBondContact CE-SG 3.41Å; K8-L306 HydrophobicContact CB-CD2 3.85Å; K8-L306 HydrophobicContact CG-CD2 4.3Å |
| 9 | I | 56.4 | Low | 49 | Very low | 62 Ų | 62 | 70.7 Ų | 70.7 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -44.6 | 179.1 | -58.6 | 165 | 0 | 0 | 0 | 109.9 | C7 S47 F292 V305 | C7-I9 PolarHBondContact O-N 3.48Å; I9-S47 WeakPolarHBondContact CG2-O 3.45Å; I9-F292 HydrophobicContact CD1-CD1 3.97Å; I9-F292 HydrophobicContact CD1-CE1 3.55Å; I9-V305 HydrophobicContact CD1-CG1 4.22Å; I9-V305 PolarHBondContact N-O 3.41Å |
| 10 | S | 57.1 | Low | 49.9 | Very low | 14 Ų | 14 | 67.9 Ų | 67.9 | 10% | 0.098 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 151.6 | -178.8 | 36 | 0 | 0 | 0 | 0 | 111.9 | F12 S47 C304 V305 | S10-F12 WeakPolarHBondContact OG-CZ 3.48Å; S10-S47 WeakPolarHBondContact CB-O 3.38Å; S10-S47 PolarHBondContact OG-O 3.49Å; S10-C304 WeakPolarHBondContact O-CA 3.45Å; S10-V305 PolarHBondContact O-N 2.84Å |
| 11 | S | 56 | Low | 50.8 | Low | 40 Ų | 40 | 68.5 Ų | 68.5 | 28% | 0.28 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.9 | 154 | 39 | 0 | 0 | 0 | 0 | 109.6 | K8 L303 | K8-S11 WeakPolarHBondContact CE-OG 3.36Å; K8-S11 PolarHBondContact NZ-OG 2.62Å; S11-L303 CarbonylContact C-O 3.37Å; S11-L303 VanDerWaalsContact CA-O 3.31Å; S11-L303 WeakPolarHBondContact CA-O 3.46Å |
| 12 | F | 60.5 | Low | 53 | Low | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 105.8 | 166.4 | -43.2 | -66.5 | 0 | 0 | 0 | 107.2 | S10 V33 W45 S49 L303 V305 | S10-F12 WeakPolarHBondContact OG-CZ 3.48Å; F12-V33 HydrophobicContact CE2-CB 4.4Å; F12-V33 HydrophobicContact CE2-CG1 4.34Å; F12-W45 HydrophobicContact CB-CD2 4.17Å; F12-W45 HydrophobicContact CB-CE3 3.92Å; F12-W45 HydrophobicContact CB-CH2 3.94Å; F12-W45 HydrophobicContact CB-CZ2 4.2Å; F12-W45 HydrophobicContact CB-CZ3 3.79Å; F12-W45 HydrophobicContact CD1-CB 4.19Å; F12-W45 AromaticContact CD1-CD2 3.76Å; F12-W45 HydrophobicContact CD1-CD2 3.76Å; F12-W45 AromaticContact CD1-CE3 3.28Å; F12-W45 HydrophobicContact CD1-CE3 3.28Å; F12-W45 HydrophobicContact CD1-CG 4.17Å; F12-W45 AromaticContact CD1-CZ3 3.86Å; F12-W45 HydrophobicContact CD1-CZ3 3.86Å; F12-W45 HydrophobicContact CD2-CD2 4.37Å; F12-W45 HydrophobicContact CD2-CG 4.37Å; F12-W45 HydrophobicContact CE1-CB 3.75Å; F12-W45 HydrophobicContact CE1-CD2 4.26Å; F12-W45 AromaticContact CE1-CE3 3.96Å; F12-W45 HydrophobicContact CE1-CE3 3.96Å; F12-W45 HydrophobicContact CE1-CG 4.23Å; F12-W45 HydrophobicContact CE2-CB 4.16Å; F12-W45 HydrophobicContact CE2-CG 4.4Å; F12-W45 AromaticContact CG-CD2 3.82Å; F12-W45 HydrophobicContact CG-CD2 3.82Å; F12-W45 AromaticContact CG-CE3 3.68Å; F12-W45 HydrophobicContact CG-CE3 3.68Å; F12-W45 HydrophobicContact CG-CG 4.25Å; F12-W45 HydrophobicContact CG-CZ3 4.08Å; F12-W45 HydrophobicContact CZ-CB 3.73Å; F12-W45 HydrophobicContact CZ-CG 4.34Å; F12-S49 VanDerWaalsContact CE1-O 3.31Å; F12-S49 WeakPolarHBondContact CE1-O 3.22Å; F12-L303 HydrophobicContact CD2-CB 4.27Å; F12-L303 HydrophobicContact CD2-CD2 4.15Å; F12-L303 HydrophobicContact CD2-CG 4.44Å; F12-L303 PolarHBondContact N-O 3.06Å; F12-L303 PolarHBondContact O-N 3.1Å; F12-L303 VanDerWaalsContact O-N 3.08Å; F12-V305 HydrophobicContact CE2-CG2 3.75Å; F12-V305 HydrophobicContact CZ-CG2 4.27Å |
| 13 | A | 52.9 | Low | 55.2 | Low | 48 Ų | 48 | 58.8 Ų | 58.8 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | trans | -79.6 | 122.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | N15 | A13-N15 PolarHBondContact O-N 3.44Š| ||
| 14 | T | 52.8 | Low | 57.3 | Low | 15 Ų | 15 | 55.4 Ų | 55.4 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | trans | -77.4 | 7.3 | 178.4 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | G16 L17 I20 S301 | T14-G16 PolarHBondContact O-N 3.42Å; T14-L17 WeakPolarHBondContact O-CB 3.24Å; T14-L17 PolarHBondContact O-N 3.24Å; T14-L17 PolarHBondContact OG1-O 3.3Å; T14-L17 VanDerWaalsContact OG1-O 3.13Å; T14-I20 HydrophobicContact CG2-CD1 3.78Å; T14-I20 HydrophobicContact CG2-CG1 4.29Å; T14-S301 VanDerWaalsContact OG1-CB 3.28Å; T14-S301 WeakPolarHBondContact OG1-CB 3.35Å | ||
| 15 | N | 46.4 | Very low | 58.9 | Low | 146 Ų | 146 | 50.9 Ų | 50.9 | 78% | 0.781 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 43.2 | 178.3 | -66 | -13 | 0 | 0 | 0 | 113.7 | A13 L17 | A13-N15 PolarHBondContact O-N 3.44Å; N15-L17 VanDerWaalsContact C-N 3.33Å; N15-L17 PolarHBondContact O-N 3.1Å |
| 16 | G | 43.9 | Very low | 60.1 | Low | 78 Ų | 78 | 50.1 Ų | 50.1 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 3.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T14 | T14-G16 PolarHBondContact O-N 3.42Š|
| 17 | L | 44.9 | Very low | 60.6 | Low | 97 Ų | 97 | 49.5 Ų | 49.5 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | trans | -84.4 | 147.7 | 175.3 | -72.4 | 165.6 | 0 | 0 | 0 | 112.1 | T14 N15 | T14-L17 WeakPolarHBondContact O-CB 3.24Å; T14-L17 PolarHBondContact O-N 3.24Å; T14-L17 PolarHBondContact OG1-O 3.3Å; T14-L17 VanDerWaalsContact OG1-O 3.13Å; N15-L17 VanDerWaalsContact C-N 3.33Å; N15-L17 PolarHBondContact O-N 3.1Å | ||
| 18 | P | 53.7 | Low | 61.4 | Low | 65 Ų | 65 | 50.9 Ų | 50.9 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | trans | -83 | 129 | -146.6 | 29.8 | -36.8 | 0 | 0 | 0 | 114.9 | D39 | P18-D39 HydrophobicContact CG-CB 4.38Š| ||
| 19 | T | 63.4 | Low | 61.6 | Low | 67 Ų | 67 | 55.2 Ų | 55.2 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | trans | 38.1 | 89.2 | 153.9 | 47.6 | 0 | 0 | 0 | 0 | 115.8 | R21 N38 | T19-R21 PolarHBondContact O-N 3.48Å; T19-N38 PolarHBondContact O-N 3.45Å; T19-N38 PolarHBondContact OG1-ND2 2.87Å | ||
| 20 | I | 67.2 | Low | 61.9 | Low | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 118.9 | 160.6 | -65.3 | 171 | 0 | 0 | 0 | 107.8 | T14 R22 T35 L296 L303 | T14-I20 HydrophobicContact CG2-CD1 3.78Å; T14-I20 HydrophobicContact CG2-CG1 4.29Å; I20-R22 VanDerWaalsContact CG2-O 3.28Å; I20-R22 WeakPolarHBondContact CG2-O 3.5Å; I20-T35 HydrophobicContact CD1-CG2 4.2Å; I20-L296 HydrophobicContact CB-CD1 4.37Å; I20-L296 HydrophobicContact CB-CD2 4.06Å; I20-L296 HydrophobicContact CD1-CD1 4.19Å; I20-L296 HydrophobicContact CG2-CD2 4.49Å; I20-L296 WeakPolarHBondContact O-CD2 3.44Å; I20-L303 HydrophobicContact CD1-CB 4.24Å; I20-L303 HydrophobicContact CD1-CD2 4.45Å |
| 21 | R | 68.1 | Low | 62.8 | Low | 80 Ų | 80 | 59.6 Ų | 59.6 | 30% | 0.302 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -32.8 | 175.9 | -70.3 | -164.4 | -176.5 | -144 | 6.8 | 112 | T19 A36 N38 E64 | T19-R21 PolarHBondContact O-N 3.48Å; R21-A36 PolarHBondContact N-O 3.33Å; R21-N38 VanDerWaalsContact CZ-OD1 3.31Å; R21-N38 PolarHBondContact NE-OD1 3.26Å; R21-N38 PolarHBondContact NH2-OD1 2.72Å; R21-E64 VanDerWaalsContact CD-CD 3.47Å; R21-E64 WeakPolarHBondContact CD-OE1 3.36Å; R21-E64 VanDerWaalsContact CD-OE2 3.28Å; R21-E64 WeakPolarHBondContact CD-OE2 3.26Å; R21-E64 IonicContact CZ-OE1 3.83Å; R21-E64 IonicContact CZ-OE2 3.04Å; R21-E64 IonicContact NE-OE1 2.62Å; R21-E64 PolarHBondContact NE-OE1 2.95Å; R21-E64 VanDerWaalsContact NE-OE1 3.16Å; R21-E64 IonicContact NE-OE2 3.92Å; R21-E64 IonicContact NH1-OE1 3.14Å; R21-E64 PolarHBondContact NH1-OE1 2.97Å; R21-E64 IonicContact NH1-OE2 3.16Å; R21-E64 PolarHBondContact NH1-OE2 3.41Å; R21-E64 IonicContact NH2-OE1 3.96Å |
| 22 | R | 75.4 | Confident | 64.1 | Low | 105 Ų | 105 | 58.5 Ų | 58.5 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.8 | 173.6 | -69.4 | -60.7 | -174.4 | -72.2 | -12.7 | 111.6 | I20 A36 E64 | I20-R22 VanDerWaalsContact CG2-O 3.28Å; I20-R22 WeakPolarHBondContact CG2-O 3.5Å; R22-A36 PolarHBondContact N-O 2.9Å; R22-A36 PolarHBondContact O-N 2.8Å; R22-E64 WeakPolarHBondContact CG-O 3.4Å |
| 23 | A | 76.8 | Confident | 65.2 | Low | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | A34 T35 L294 L303 | A23-A34 CarbonylContact C-O 3.6Å; A23-A34 WeakPolarHBondContact CA-O 3.37Å; A23-A34 WeakPolarHBondContact CB-O 3.27Å; A23-T35 HydrophobicContact CB-CG2 4.12Å; A23-L294 HydrophobicContact CB-CD1 3.88Å; A23-L294 HydrophobicContact CB-CD2 3.57Å; A23-L294 HydrophobicContact CB-CG 4.39Å; A23-L303 HydrophobicContact CB-CD2 4.36Å |
| 24 | D | 78.1 | Confident | 66.8 | Low | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 165.1 | 164.1 | -167.7 | 24.1 | 0 | 0 | 0 | 107.9 | A34 L66 R67 F68 R283 | D24-A34 PolarHBondContact N-O 2.79Å; D24-A34 PolarHBondContact O-N 3.33Å; D24-L66 HydrophobicContact CB-CB 4.31Å; D24-R67 IonicContact OD1-NH1 3.94Å; D24-R67 PolarHBondContact OD1-NH1 3.09Å; D24-R67 WeakPolarHBondContact OD2-CA 3.28Å; D24-R67 WeakPolarHBondContact OD2-CD 3.35Å; D24-R67 IonicContact OD2-CZ 2.91Å; D24-R67 IonicContact OD2-NH1 2.67Å; D24-R67 PolarHBondContact OD2-NH1 2.79Å; D24-F68 HydrophobicContact CB-CD2 4.05Å; D24-F68 HydrophobicContact CB-CE2 4.4Å; D24-F68 PolarHBondContact OD2-N 2.95Å; D24-R283 IonicContact OD1-NE 3.71Å; D24-R283 IonicContact OD1-NH2 3.93Å |
| 25 | M | 77.2 | Confident | 68.3 | Low | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 147.6 | -173.6 | -176.1 | 162.5 | 53.8 | 0 | 0 | 110.2 | L32 V33 R283 F292 L294 V305 | M25-L32 WeakPolarHBondContact CA-O 3.2Å; M25-V33 HydrophobicContact CB-CG2 4.4Å; M25-V33 HydrophobicContact CG-CG2 3.89Å; M25-V33 HydrophobicContact SD-CG2 3.79Å; M25-R283 HydrophobicContact CB-CG 4.28Å; M25-R283 HydrophobicContact CE-CB 4.38Å; M25-R283 WeakPolarHBondContact O-CG 3.4Å; M25-F292 HydrophobicContact CE-CB 3.39Å; M25-F292 WeakPolarHBondContact CE-O 3.48Å; M25-F292 HydrophobicContact SD-CB 3.67Å; M25-F292 HydrophobicContact SD-CG 4.48Å; M25-L294 HydrophobicContact CB-CD1 4.22Å; M25-L294 HydrophobicContact CE-CB 3.73Å; M25-L294 HydrophobicContact SD-CB 4.19Å; M25-L294 HydrophobicContact SD-CD1 4.23Å; M25-V305 HydrophobicContact SD-CG1 4.34Å |
| 26 | V | 74.3 | Confident | 70.2 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 143 | -180 | 149.1 | 0 | 0 | 0 | 0 | 108.1 | R30 C31 L32 F68 E72 | V26-R30 VanDerWaalsContact O-O 3.11Å; V26-C31 CarbonylContact O-C 3.59Å; V26-C31 WeakPolarHBondContact O-CA 3.39Å; V26-L32 PolarHBondContact N-O 2.86Å; V26-L32 PolarHBondContact O-N 3.07Å; V26-L32 VanDerWaalsContact O-O 3.12Å; V26-F68 HydrophobicContact CB-CB 4.4Å; V26-F68 HydrophobicContact CB-CD1 4.28Å; V26-F68 HydrophobicContact CB-CD2 3.94Å; V26-F68 HydrophobicContact CB-CE2 4.19Å; V26-F68 HydrophobicContact CB-CG 3.98Å; V26-F68 HydrophobicContact CB-CZ 4.47Å; V26-F68 HydrophobicContact CG2-CB 3.36Å; V26-F68 HydrophobicContact CG2-CD1 4.11Å; V26-F68 HydrophobicContact CG2-CD2 3.59Å; V26-F68 HydrophobicContact CG2-CE2 4.34Å; V26-F68 HydrophobicContact CG2-CG 3.45Å; V26-F68 VanDerWaalsContact CG2-CG 3.45Å; V26-E72 HydrophobicContact CG1-CB 3.9Å; V26-E72 VanDerWaalsContact CG1-CD 3.42Å; V26-E72 HydrophobicContact CG1-CG 3.5Å; V26-E72 VanDerWaalsContact CG1-CG 3.5Å; V26-E72 WeakPolarHBondContact CG1-OE1 3.43Å |
| 27 | A | 62.6 | Low | 71.8 | Confident | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | trans | -135.6 | -19.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117 | K29 E285 F292 | A27-K29 PolarHBondContact O-N 2.84Å; A27-E285 HydrophobicContact CB-CB 3.75Å; A27-E285 HydrophobicContact CB-CG 3.68Å; A27-E285 VanDerWaalsContact O-CD 3.23Å; A27-F292 HydrophobicContact CB-CD2 4.06Å; A27-F292 HydrophobicContact CB-CE2 4.03Å | ||
| 28 | K | 64 | Low | 73.6 | Confident | 113 Ų | 113 | 43.1 Ų | 43.1 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -61.1 | -25.4 | -158.8 | -48.9 | 167.8 | -179.3 | 174.3 | 0 | 114.8 | G70 E72 N287 | K28-G70 PolarHBondContact NZ-O 3.49Å; K28-E72 WeakPolarHBondContact CA-OE1 3.34Å; K28-E72 WeakPolarHBondContact CB-OE1 3.45Å; K28-E72 WeakPolarHBondContact CG-OE1 3.47Å; K28-E72 PolarHBondContact N-OE1 3.09Å; K28-N287 PolarHBondContact O-ND2 2.88Å |
| 29 | K | 61.7 | Low | 74.9 | Confident | 180 Ų | 180 | 41.7 Ų | 41.7 | 78% | 0.783 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -127.9 | -30.6 | 177.3 | -64.8 | 177.7 | -179.6 | 171.6 | 0 | 114.1 | A27 | A27-K29 PolarHBondContact O-N 2.84Š|
| 30 | R | 63.6 | Low | 76 | Confident | 157 Ų | 157 | 44 Ų | 44 | 59% | 0.592 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -147.3 | 127.3 | 175 | -69.3 | -178.1 | 175.9 | 171.5 | -3 | 106.2 | V26 L32 | V26-R30 VanDerWaalsContact O-O 3.11Å; R30-L32 VanDerWaalsContact C-N 3.33Å; R30-L32 HydrophobicContact CB-CD1 4.29Å; R30-L32 HydrophobicContact CB-CD2 4.4Å; R30-L32 HydrophobicContact CB-CG 3.91Å; R30-L32 PolarHBondContact O-N 3.21Å |
| 31 | C | 75.7 | Confident | 76.9 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | trans | -67.6 | 96 | 168.6 | -177 | 0 | 0 | 0 | 0 | 109.1 | V26 S47 F292 | V26-C31 CarbonylContact O-C 3.59Å; V26-C31 WeakPolarHBondContact O-CA 3.39Å; C31-S47 PolarHBondContact O-N 2.78Å; C31-F292 HydrophobicContact CB-CE1 4.03Å; C31-F292 HydrophobicContact CB-CZ 4.14Å; C31-F292 VanDerWaalsContact SG-CD1 3.56Å; C31-F292 VanDerWaalsContact SG-CE1 3.57Å | ||
| 32 | L | 83.6 | Confident | 77.9 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.7 | -180 | -70.2 | 174.4 | 0 | 0 | 0 | 109.3 | M25 V26 R30 L44 W45 M53 F68 | M25-L32 WeakPolarHBondContact CA-O 3.2Å; V26-L32 PolarHBondContact N-O 2.86Å; V26-L32 PolarHBondContact O-N 3.07Å; V26-L32 VanDerWaalsContact O-O 3.12Å; R30-L32 VanDerWaalsContact C-N 3.33Å; R30-L32 HydrophobicContact CB-CD1 4.29Å; R30-L32 HydrophobicContact CB-CD2 4.4Å; R30-L32 HydrophobicContact CB-CG 3.91Å; R30-L32 PolarHBondContact O-N 3.21Å; L32-L44 HydrophobicContact CB-CD1 4.32Å; L32-L44 HydrophobicContact CD2-CD2 4.3Å; L32-L44 HydrophobicContact CD2-CG 4.38Å; L32-W45 WeakPolarHBondContact CA-O 2.97Å; L32-M53 HydrophobicContact CD2-CE 3.85Å; L32-F68 HydrophobicContact CB-CZ 4.35Å |
| 33 | V | 83.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.8 | 177.8 | 167.2 | 0 | 0 | 0 | 0 | 108.5 | F12 M25 T35 L44 W45 L294 L303 V305 | F12-V33 HydrophobicContact CE2-CB 4.4Å; F12-V33 HydrophobicContact CE2-CG1 4.34Å; M25-V33 HydrophobicContact CB-CG2 4.4Å; M25-V33 HydrophobicContact CG-CG2 3.89Å; M25-V33 HydrophobicContact SD-CG2 3.79Å; V33-T35 HydrophobicContact CG1-CG2 3.9Å; V33-L44 CarbonylContact O-C 3.59Å; V33-L44 WeakPolarHBondContact O-CA 3.43Å; V33-W45 HydrophobicContact CB-CB 4.32Å; V33-W45 PolarHBondContact N-O 2.78Å; V33-W45 PolarHBondContact O-N 2.74Å; V33-L294 HydrophobicContact CB-CD1 4.31Å; V33-L294 HydrophobicContact CG1-CD1 3.5Å; V33-L294 VanDerWaalsContact CG1-CD1 3.5Å; V33-L294 HydrophobicContact CG2-CD1 3.89Å; V33-L303 HydrophobicContact CG1-CD2 3.97Å; V33-V305 HydrophobicContact CG2-CG2 3.81Å |
| 34 | A | 86.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A23 D24 R43 L44 L66 F68 L75 | A23-A34 CarbonylContact C-O 3.6Å; A23-A34 WeakPolarHBondContact CA-O 3.37Å; A23-A34 WeakPolarHBondContact CB-O 3.27Å; D24-A34 PolarHBondContact N-O 2.79Å; D24-A34 PolarHBondContact O-N 3.33Å; A34-R43 CarbonylContact C-O 3.44Å; A34-R43 WeakPolarHBondContact CA-O 3.29Å; A34-L44 HydrophobicContact CB-CD1 4.49Å; A34-L66 HydrophobicContact CB-CD1 4Å; A34-F68 HydrophobicContact CB-CE1 4.48Å; A34-F68 HydrophobicContact CB-CE2 3.58Å; A34-F68 HydrophobicContact CB-CZ 3.56Å; A34-L75 HydrophobicContact CB-CD1 3.78Å; A34-L75 HydrophobicContact CB-CD2 3.54Å; A34-L75 HydrophobicContact CB-CG 4.34Å |
| 35 | T | 84.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.9 | 178.7 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | I20 A23 V33 V42 R43 W45 L303 | I20-T35 HydrophobicContact CD1-CG2 4.2Å; A23-T35 HydrophobicContact CB-CG2 4.12Å; V33-T35 HydrophobicContact CG1-CG2 3.9Å; T35-V42 WeakPolarHBondContact O-CA 3.42Å; T35-R43 PolarHBondContact N-O 3.44Å; T35-R43 PolarHBondContact O-N 3.22Å; T35-W45 PolarHBondContact OG1-NE1 2.95Å; T35-L303 HydrophobicContact CG2-CD2 3.37Å |
| 36 | A | 85 | Confident | 79.4 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R21 R22 T41 V42 I63 L66 | R21-A36 PolarHBondContact N-O 3.33Å; R22-A36 PolarHBondContact N-O 2.9Å; R22-A36 PolarHBondContact O-N 2.8Å; A36-T41 WeakPolarHBondContact CA-O 3.36Å; A36-T41 WeakPolarHBondContact CB-O 3.39Å; A36-V42 HydrophobicContact CB-CG2 4.17Å; A36-I63 HydrophobicContact CB-CB 3.78Å; A36-I63 HydrophobicContact CB-CD1 3.96Å; A36-I63 HydrophobicContact CB-CG1 4.48Å; A36-I63 HydrophobicContact CB-CG2 3.57Å; A36-L66 HydrophobicContact CB-CD1 3.63Å; A36-L66 HydrophobicContact CB-CD2 4.06Å; A36-L66 HydrophobicContact CB-CG 3.89Å |
| 37 | G | 79 | Confident | 79.3 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | -139.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | D39 R40 I63 | G37-D39 VanDerWaalsContact C-N 3.26Å; G37-D39 PolarHBondContact O-N 3.45Å; G37-R40 PolarHBondContact O-N 3.29Å; G37-R40 VanDerWaalsContact O-N 3.16Å; G37-I63 PolarHBondContact O-N 2.94Å |
| 38 | N | 81.4 | Confident | 79.8 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.6 | -173.2 | -79.2 | -30.6 | 0 | 0 | 0 | 114.4 | T19 R21 R40 | T19-N38 PolarHBondContact O-N 3.45Å; T19-N38 PolarHBondContact OG1-ND2 2.87Å; R21-N38 VanDerWaalsContact CZ-OD1 3.31Å; R21-N38 PolarHBondContact NE-OD1 3.26Å; R21-N38 PolarHBondContact NH2-OD1 2.72Å; N38-R40 VanDerWaalsContact C-N 3.25Å; N38-R40 PolarHBondContact O-N 3.32Å |
| 39 | D | 81.1 | Confident | 80.1 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.9 | 174.7 | 74.7 | 15.4 | 0 | 0 | 0 | 114.5 | P18 G37 T41 R43 | P18-D39 HydrophobicContact CG-CB 4.38Å; G37-D39 VanDerWaalsContact C-N 3.26Å; G37-D39 PolarHBondContact O-N 3.45Å; D39-T41 VanDerWaalsContact CG-OG1 3.25Å; D39-T41 PolarHBondContact O-N 3.36Å; D39-T41 WeakPolarHBondContact OD1-CB 3.3Å; D39-T41 PolarHBondContact OD1-N 3.46Å; D39-T41 PolarHBondContact OD1-OG1 3.44Å; D39-T41 PolarHBondContact OD2-OG1 3.01Å; D39-R43 IonicContact OD1-NH1 2.91Å; D39-R43 IonicContact OD2-CZ 2.78Å; D39-R43 IonicContact OD2-NH1 3.63Å; D39-R43 PolarHBondContact OD2-NH1 2.81Å; D39-R43 IonicContact OD2-NH2 3.3Å; D39-R43 PolarHBondContact OD2-NH2 3.4Å |
| 40 | R | 86.5 | Confident | 80.6 | Confident | 115 Ų | 115 | 36.8 Ų | 36.8 | 43% | 0.434 | 19% | 0.191 | S | C | . | . | trans | 66.2 | 13.6 | 177.2 | -40.6 | 171.1 | -76.6 | -171.6 | -2.8 | 114.7 | G37 N38 H59 L60 C61 | G37-R40 PolarHBondContact O-N 3.29Å; G37-R40 VanDerWaalsContact O-N 3.16Å; N38-R40 VanDerWaalsContact C-N 3.25Å; N38-R40 PolarHBondContact O-N 3.32Å; R40-H59 HydrophobicContact CB-CB 4.43Å; R40-L60 WeakPolarHBondContact CD-O 3.48Å; R40-L60 PolarHBondContact NH1-O 2.88Å; R40-C61 WeakPolarHBondContact CG-O 3.43Å | ||
| 41 | T | 86.2 | Confident | 81.1 | Confident | 16 Ų | 16 | 34.1 Ų | 34.1 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 150.2 | 173.2 | 71.8 | 0 | 0 | 0 | 0 | 110.5 | A36 D39 R43 I57 | A36-T41 WeakPolarHBondContact CA-O 3.36Å; A36-T41 WeakPolarHBondContact CB-O 3.39Å; D39-T41 VanDerWaalsContact CG-OG1 3.25Å; D39-T41 PolarHBondContact O-N 3.36Å; D39-T41 WeakPolarHBondContact OD1-CB 3.3Å; D39-T41 PolarHBondContact OD1-N 3.46Å; D39-T41 PolarHBondContact OD1-OG1 3.44Å; D39-T41 PolarHBondContact OD2-OG1 3.01Å; T41-R43 PolarHBondContact OG1-NH1 2.95Å; T41-R43 PolarHBondContact OG1-NH2 3.08Å; T41-I57 HydrophobicContact CG2-CG1 4.14Å |
| 42 | V | 89.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 108.4 | 168.5 | -173.1 | 0 | 0 | 0 | 0 | 107.6 | T35 A36 M56 I63 L66 L75 | T35-V42 WeakPolarHBondContact O-CA 3.42Å; A36-V42 HydrophobicContact CB-CG2 4.17Å; V42-M56 HydrophobicContact CB-CB 4.31Å; V42-M56 HydrophobicContact CB-CE 4.07Å; V42-M56 HydrophobicContact CG1-CE 3.73Å; V42-M56 PolarHBondContact N-O 3.06Å; V42-M56 WeakPolarHBondContact O-CB 3.41Å; V42-M56 PolarHBondContact O-N 2.97Å; V42-I63 HydrophobicContact CG2-CD1 3.54Å; V42-L66 HydrophobicContact CG1-CD1 4.44Å; V42-L66 HydrophobicContact CG1-CD2 3.73Å; V42-L66 HydrophobicContact CG2-CD2 4.14Å; V42-L75 HydrophobicContact CG1-CD2 3.4Å |
| 43 | R | 86.2 | Confident | 81.4 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.8 | 177.7 | -60.5 | -174.2 | -171.4 | 86 | 5.6 | 110.3 | A34 T35 D39 T41 W45 P52 L54 | A34-R43 CarbonylContact C-O 3.44Å; A34-R43 WeakPolarHBondContact CA-O 3.29Å; T35-R43 PolarHBondContact N-O 3.44Å; T35-R43 PolarHBondContact O-N 3.22Å; D39-R43 IonicContact OD1-NH1 2.91Å; D39-R43 IonicContact OD2-CZ 2.78Å; D39-R43 IonicContact OD2-NH1 3.63Å; D39-R43 PolarHBondContact OD2-NH1 2.81Å; D39-R43 IonicContact OD2-NH2 3.3Å; D39-R43 PolarHBondContact OD2-NH2 3.4Å; T41-R43 PolarHBondContact OG1-NH1 2.95Å; T41-R43 PolarHBondContact OG1-NH2 3.08Å; R43-W45 HydrophobicContact CB-CZ2 4.11Å; R43-P52 HydrophobicContact CB-CB 4.19Å; R43-L54 WeakPolarHBondContact CA-O 3.46Å |
| 44 | L | 88.1 | Confident | 81.5 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.9 | 170.4 | -169.5 | 74.5 | 0 | 0 | 0 | 108.8 | L32 V33 A34 P52 M53 L54 F68 L89 | L32-L44 HydrophobicContact CB-CD1 4.32Å; L32-L44 HydrophobicContact CD2-CD2 4.3Å; L32-L44 HydrophobicContact CD2-CG 4.38Å; V33-L44 CarbonylContact O-C 3.59Å; V33-L44 WeakPolarHBondContact O-CA 3.43Å; A34-L44 HydrophobicContact CB-CD1 4.49Å; L44-P52 CarbonylContact O-C 3.31Å; L44-P52 WeakPolarHBondContact O-CA 3.32Å; L44-M53 HydrophobicContact CD2-SD 4.31Å; L44-M53 PolarHBondContact O-N 2.88Å; L44-L54 HydrophobicContact CB-CB 4.3Å; L44-L54 HydrophobicContact CB-CD1 4.43Å; L44-L54 HydrophobicContact CD2-CD1 3.67Å; L44-L54 PolarHBondContact N-O 3.19Å; L44-L54 PolarHBondContact O-N 2.85Å; L44-F68 HydrophobicContact CD1-CE1 3.89Å; L44-F68 HydrophobicContact CD1-CZ 3.72Å; L44-L89 HydrophobicContact CD1-CD2 3.91Å; L44-L89 HydrophobicContact CD2-CD2 3.88Å; L44-L89 HydrophobicContact CG-CD2 4.44Å |
| 45 | W | 84 | Confident | 81.6 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.5 | -179.8 | -46.8 | 80.4 | 0 | 0 | 0 | 109.6 | F12 L32 V33 T35 R43 A50 P52 | F12-W45 HydrophobicContact CB-CD2 4.17Å; F12-W45 HydrophobicContact CB-CE3 3.92Å; F12-W45 HydrophobicContact CB-CH2 3.94Å; F12-W45 HydrophobicContact CB-CZ2 4.2Å; F12-W45 HydrophobicContact CB-CZ3 3.79Å; F12-W45 HydrophobicContact CD1-CB 4.19Å; F12-W45 AromaticContact CD1-CD2 3.76Å; F12-W45 HydrophobicContact CD1-CD2 3.76Å; F12-W45 AromaticContact CD1-CE3 3.28Å; F12-W45 HydrophobicContact CD1-CE3 3.28Å; F12-W45 HydrophobicContact CD1-CG 4.17Å; F12-W45 AromaticContact CD1-CZ3 3.86Å; F12-W45 HydrophobicContact CD1-CZ3 3.86Å; F12-W45 HydrophobicContact CD2-CD2 4.37Å; F12-W45 HydrophobicContact CD2-CG 4.37Å; F12-W45 HydrophobicContact CE1-CB 3.75Å; F12-W45 HydrophobicContact CE1-CD2 4.26Å; F12-W45 AromaticContact CE1-CE3 3.96Å; F12-W45 HydrophobicContact CE1-CE3 3.96Å; F12-W45 HydrophobicContact CE1-CG 4.23Å; F12-W45 HydrophobicContact CE2-CB 4.16Å; F12-W45 HydrophobicContact CE2-CG 4.4Å; F12-W45 AromaticContact CG-CD2 3.82Å; F12-W45 HydrophobicContact CG-CD2 3.82Å; F12-W45 AromaticContact CG-CE3 3.68Å; F12-W45 HydrophobicContact CG-CE3 3.68Å; F12-W45 HydrophobicContact CG-CG 4.25Å; F12-W45 HydrophobicContact CG-CZ3 4.08Å; F12-W45 HydrophobicContact CZ-CB 3.73Å; F12-W45 HydrophobicContact CZ-CG 4.34Å; L32-W45 WeakPolarHBondContact CA-O 2.97Å; V33-W45 HydrophobicContact CB-CB 4.32Å; V33-W45 PolarHBondContact N-O 2.78Å; V33-W45 PolarHBondContact O-N 2.74Å; T35-W45 PolarHBondContact OG1-NE1 2.95Å; R43-W45 HydrophobicContact CB-CZ2 4.11Å; W45-A50 WeakPolarHBondContact CZ3-O 3.3Å; W45-P52 HydrophobicContact CD2-CB 3.92Å; W45-P52 HydrophobicContact CE3-CB 3.78Å; W45-P52 HydrophobicContact CE3-CG 4.39Å; W45-P52 HydrophobicContact CH2-CB 4.24Å; W45-P52 HydrophobicContact CH2-CG 4.26Å; W45-P52 HydrophobicContact CZ2-CB 4.36Å; W45-P52 HydrophobicContact CZ3-CB 3.95Å; W45-P52 VanDerWaalsContact CZ3-CD 3.46Å; W45-P52 HydrophobicContact CZ3-CG 4.08Å |
| 46 | Q | 81.2 | Confident | 81.7 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138.5 | 166.7 | -173.6 | 172.3 | -35 | 0 | 0 | 108.2 | T48 S49 M53 | Q46-T48 PolarHBondContact NE2-OG1 2.82Å; Q46-T48 PolarHBondContact O-N 3.18Å; Q46-S49 PolarHBondContact O-N 2.85Å; Q46-M53 HydrophobicContact CB-CE 3.85Å; Q46-M53 HydrophobicContact CG-CE 4.42Å; Q46-M53 VanDerWaalsContact OE1-CE 3.28Å |
| 47 | S | 71.5 | Confident | 81.9 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 12% | 0.119 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -32.9 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | I9 S10 C31 | I9-S47 WeakPolarHBondContact CG2-O 3.45Å; S10-S47 WeakPolarHBondContact CB-O 3.38Å; S10-S47 PolarHBondContact OG-O 3.49Å; C31-S47 PolarHBondContact O-N 2.78Å |
| 48 | T | 72.3 | Confident | 82.1 | Confident | 106 Ų | 106 | 51 Ų | 51 | 65% | 0.65 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.7 | -179.1 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | Q46 | Q46-T48 PolarHBondContact NE2-OG1 2.82Å; Q46-T48 PolarHBondContact O-N 3.18Å |
| 49 | S | 71 | Confident | 82.4 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | trans | -129.2 | 116.6 | -173.8 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | F12 Q46 V51 | F12-S49 VanDerWaalsContact CE1-O 3.31Å; F12-S49 WeakPolarHBondContact CE1-O 3.22Å; Q46-S49 PolarHBondContact O-N 2.85Å; S49-V51 PolarHBondContact O-N 3.29Å; S49-V51 VanDerWaalsContact O-N 3.16Å; S49-V51 PolarHBondContact OG-N 3.15Å; S49-V51 PolarHBondContact OG-O 2.86Å | ||
| 50 | A | 72.4 | Confident | 82.7 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -68.4 | -6.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | W45 | W45-A50 WeakPolarHBondContact CZ3-O 3.3Š|
| 51 | V | 74.6 | Confident | 82.8 | Confident | 100 Ų | 100 | 44.8 Ų | 44.8 | 61% | 0.606 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -101.2 | 135.8 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | S49 | S49-V51 PolarHBondContact O-N 3.29Å; S49-V51 VanDerWaalsContact O-N 3.16Å; S49-V51 PolarHBondContact OG-N 3.15Å; S49-V51 PolarHBondContact OG-O 2.86Å |
| 52 | P | 79.8 | Confident | 82.8 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | trans | -67 | 135.4 | 178 | 29 | -33.7 | 0 | 0 | 0 | 110.3 | R43 L44 W45 | R43-P52 HydrophobicContact CB-CB 4.19Å; L44-P52 CarbonylContact O-C 3.31Å; L44-P52 WeakPolarHBondContact O-CA 3.32Å; W45-P52 HydrophobicContact CD2-CB 3.92Å; W45-P52 HydrophobicContact CE3-CB 3.78Å; W45-P52 HydrophobicContact CE3-CG 4.39Å; W45-P52 HydrophobicContact CH2-CB 4.24Å; W45-P52 HydrophobicContact CH2-CG 4.26Å; W45-P52 HydrophobicContact CZ2-CB 4.36Å; W45-P52 HydrophobicContact CZ3-CB 3.95Å; W45-P52 VanDerWaalsContact CZ3-CD 3.46Å; W45-P52 HydrophobicContact CZ3-CG 4.08Å | ||
| 53 | M | 84.7 | Confident | 82.8 | Confident | 82 Ų | 82 | 45.4 Ų | 45.4 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -68.1 | -41.6 | 177.9 | -172.3 | -167.2 | -59.5 | 0 | 0 | 111.3 | L32 L44 Q46 | L32-M53 HydrophobicContact CD2-CE 3.85Å; L44-M53 HydrophobicContact CD2-SD 4.31Å; L44-M53 PolarHBondContact O-N 2.88Å; Q46-M53 HydrophobicContact CB-CE 3.85Å; Q46-M53 HydrophobicContact CG-CE 4.42Å; Q46-M53 VanDerWaalsContact OE1-CE 3.28Å |
| 54 | L | 86.8 | Confident | 82.9 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.2 | 174.9 | -62.9 | 102 | 0 | 0 | 0 | 110.5 | R43 L44 M56 | R43-L54 WeakPolarHBondContact CA-O 3.46Å; L44-L54 HydrophobicContact CB-CB 4.3Å; L44-L54 HydrophobicContact CB-CD1 4.43Å; L44-L54 HydrophobicContact CD2-CD1 3.67Å; L44-L54 PolarHBondContact N-O 3.19Å; L44-L54 PolarHBondContact O-N 2.85Å; L54-M56 HydrophobicContact CB-CG 4.44Å |
| 55 | S | 88 | Confident | 83 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 43% | 0.434 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 102.4 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 56 | M | 87.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.4 | -172.3 | -58.3 | 178.4 | -67.5 | 0 | 0 | 109.3 | V42 L54 L75 W87 L89 G92 | V42-M56 HydrophobicContact CB-CB 4.31Å; V42-M56 HydrophobicContact CB-CE 4.07Å; V42-M56 HydrophobicContact CG1-CE 3.73Å; V42-M56 PolarHBondContact N-O 3.06Å; V42-M56 WeakPolarHBondContact O-CB 3.41Å; V42-M56 PolarHBondContact O-N 2.97Å; L54-M56 HydrophobicContact CB-CG 4.44Å; M56-L75 HydrophobicContact CE-CD2 3.8Å; M56-W87 HydrophobicContact CB-CD2 3.91Å; M56-W87 HydrophobicContact CB-CE3 3.66Å; M56-W87 HydrophobicContact CB-CH2 4.16Å; M56-W87 HydrophobicContact CB-CZ2 4.38Å; M56-W87 HydrophobicContact CB-CZ3 3.79Å; M56-W87 HydrophobicContact CE-CB 4.13Å; M56-W87 HydrophobicContact CE-CG 4.11Å; M56-W87 HydrophobicContact CG-CD2 4.46Å; M56-W87 HydrophobicContact CG-CE3 4.14Å; M56-W87 HydrophobicContact SD-CB 3.61Å; M56-W87 HydrophobicContact SD-CD2 4Å; M56-W87 HydrophobicContact SD-CE3 4.03Å; M56-W87 HydrophobicContact SD-CG 3.82Å; M56-L89 HydrophobicContact CE-CD2 4.48Å; M56-G92 WeakPolarHBondContact CG-O 3.08Å |
| 57 | I | 87.7 | Confident | 83.8 | Confident | 124 Ų | 124 | 45 Ų | 45 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.2 | -169.9 | -52.5 | 178.2 | 0 | 0 | 0 | 108.1 | T41 | T41-I57 HydrophobicContact CG2-CG1 4.14Å |
| 58 | G | 84.2 | Confident | 84.7 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | trans | 164.2 | -7.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | K85 | G58-K85 VanDerWaalsContact O-CE 3.23Å; G58-K85 WeakPolarHBondContact O-CE 3.46Å; G58-K85 PolarHBondContact O-NZ 3.02Å | ||
| 59 | H | 87.7 | Confident | 85.5 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | trans | -79.2 | 139.8 | 164.6 | -73.3 | -78.7 | 0 | 0 | 0 | 110.2 | R40 I63 S77 I83 K85 E614 | R40-H59 HydrophobicContact CB-CB 4.43Å; H59-I63 HydrophobicContact CB-CD1 4.18Å; H59-I63 HydrophobicContact CB-CG1 4.12Å; H59-I63 VanDerWaalsContact CD2-CD1 3.42Å; H59-I63 WeakPolarHBondContact CD2-CD1 3.07Å; H59-S77 PolarHBondContact CE1-O 2.85Å; H59-S77 PolarHBondContact NE2-O 3.44Å; H59-S77 PolarHBondContact NE2-OG 2.94Å; H59-I83 PolarHBondContact CE1-O 2.72Å; H59-K85 VanDerWaalsContact CE1-CE 3.48Å; H59-K85 WeakPolarHBondContact CE1-CE 3.2Å; H59-K85 VanDerWaalsContact CG-CE 3.42Å; H59-K85 WeakPolarHBondContact ND1-CE 3.44Å; H59-E614 WeakPolarHBondContact CA-OE1 3.37Å | ||
| 60 | L | 86.4 | Confident | 86 | Confident | 69 Ų | 69 | 39.2 Ų | 39.2 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -95.5 | -19.1 | 175.7 | -54.5 | -172.4 | 0 | 0 | 0 | 112.5 | R40 E614 I617 | R40-L60 WeakPolarHBondContact CD-O 3.48Å; R40-L60 PolarHBondContact NH1-O 2.88Å; L60-E614 HydrophobicContact CB-CB 4.02Å; L60-E614 HydrophobicContact CB-CG 3.74Å; L60-E614 HydrophobicContact CD1-CB 4.38Å; L60-E614 HydrophobicContact CD1-CG 3.97Å; L60-E614 HydrophobicContact CG-CB 4.48Å; L60-E614 HydrophobicContact CG-CG 3.82Å; L60-E614 PolarHBondContact N-OE1 3.27Å; L60-E614 PolarHBondContact N-OE2 3.26Å; L60-I617 HydrophobicContact CD1-CB 4.25Å; L60-I617 HydrophobicContact CD1-CD1 3.84Å; L60-I617 HydrophobicContact CD1-CG2 3.95Å |
| 61 | C | 88.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -110.8 | 165.5 | 173.5 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | R40 S79 V80 V610 E614 | R40-C61 WeakPolarHBondContact CG-O 3.43Å; C61-S79 WeakPolarHBondContact CB-OG 3.46Å; C61-V80 HydrophobicContact CB-CB 4.39Å; C61-V610 PolarHBondContact SG-O 3.05Å; C61-E614 PolarHBondContact N-OE2 2.92Å |
| 62 | P | 87.1 | Confident | 86.8 | Confident | 28 Ų | 28 | 35 Ų | 35 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | trans | -58.3 | 151.3 | 177.5 | -26 | 36.3 | 0 | 0 | 0 | 113.6 | S79 V80 | P62-S79 WeakPolarHBondContact O-CA 3.42Å; P62-S79 PolarHBondContact O-OG 3.34Å; P62-V80 HydrophobicContact CB-CG2 3.95Å; P62-V80 HydrophobicContact CG-CG2 4.38Å; P62-V80 PolarHBondContact O-N 2.84Å | ||
| 63 | I | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.1 | -176.4 | -57.9 | 171.3 | 0 | 0 | 0 | 109.1 | A36 G37 V42 H59 L66 G78 | A36-I63 HydrophobicContact CB-CB 3.78Å; A36-I63 HydrophobicContact CB-CD1 3.96Å; A36-I63 HydrophobicContact CB-CG1 4.48Å; A36-I63 HydrophobicContact CB-CG2 3.57Å; G37-I63 PolarHBondContact O-N 2.94Å; V42-I63 HydrophobicContact CG2-CD1 3.54Å; H59-I63 HydrophobicContact CB-CD1 4.18Å; H59-I63 HydrophobicContact CB-CG1 4.12Å; H59-I63 VanDerWaalsContact CD2-CD1 3.42Å; H59-I63 WeakPolarHBondContact CD2-CD1 3.07Å; I63-L66 HydrophobicContact CG2-CD2 4.43Å; I63-G78 WeakPolarHBondContact CG2-O 3.41Å |
| 64 | E | 87.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 31.8 Ų | 31.8 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -18.9 | -176.8 | -65.8 | -48.8 | 127.1 | 0 | 0 | 113.5 | R21 R22 G78 V80 T104 I105 | R21-E64 VanDerWaalsContact CD-CD 3.47Å; R21-E64 WeakPolarHBondContact CD-OE1 3.36Å; R21-E64 VanDerWaalsContact CD-OE2 3.28Å; R21-E64 WeakPolarHBondContact CD-OE2 3.26Å; R21-E64 IonicContact CZ-OE1 3.83Å; R21-E64 IonicContact CZ-OE2 3.04Å; R21-E64 IonicContact NE-OE1 2.62Å; R21-E64 PolarHBondContact NE-OE1 2.95Å; R21-E64 VanDerWaalsContact NE-OE1 3.16Å; R21-E64 IonicContact NE-OE2 3.92Å; R21-E64 IonicContact NH1-OE1 3.14Å; R21-E64 PolarHBondContact NH1-OE1 2.97Å; R21-E64 IonicContact NH1-OE2 3.16Å; R21-E64 PolarHBondContact NH1-OE2 3.41Å; R21-E64 IonicContact NH2-OE1 3.96Å; R22-E64 WeakPolarHBondContact CG-O 3.4Å; E64-G78 PolarHBondContact N-O 3.29Å; E64-V80 HydrophobicContact CG-CG2 3.61Å; E64-V80 WeakPolarHBondContact OE1-CG2 3.49Å; E64-T104 HydrophobicContact CG-CG2 3.91Å; E64-I105 WeakPolarHBondContact CB-O 3.41Å |
| 65 | T | 89.9 | Confident | 87.6 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 146.1 | -175.9 | -172.2 | 0 | 0 | 0 | 0 | 113.5 | S77 G78 I105 L108 | T65-S77 CarbonylContact O-C 3.59Å; T65-S77 WeakPolarHBondContact O-CA 3.42Å; T65-G78 PolarHBondContact N-O 2.94Å; T65-G78 PolarHBondContact O-N 2.93Å; T65-I105 HydrophobicContact CG2-CB 4.27Å; T65-I105 HydrophobicContact CG2-CG2 3.91Å; T65-I105 WeakPolarHBondContact CG2-O 3.24Å; T65-L108 HydrophobicContact CG2-CD1 3.75Å; T65-L108 HydrophobicContact CG2-CG 3.73Å |
| 66 | L | 91 | Very high | 87.9 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.8 | 175.6 | -75.1 | 177.9 | 0 | 0 | 0 | 108.5 | D24 A34 A36 V42 I63 L75 A76 | D24-L66 HydrophobicContact CB-CB 4.31Å; A34-L66 HydrophobicContact CB-CD1 4Å; A36-L66 HydrophobicContact CB-CD1 3.63Å; A36-L66 HydrophobicContact CB-CD2 4.06Å; A36-L66 HydrophobicContact CB-CG 3.89Å; V42-L66 HydrophobicContact CG1-CD1 4.44Å; V42-L66 HydrophobicContact CG1-CD2 3.73Å; V42-L66 HydrophobicContact CG2-CD2 4.14Å; I63-L66 HydrophobicContact CG2-CD2 4.43Å; L66-L75 HydrophobicContact CD2-CD1 4.4Å; L66-L75 HydrophobicContact CD2-CD2 4.35Å; L66-L75 HydrophobicContact CD2-CG 4.38Å; L66-A76 WeakPolarHBondContact CA-O 3.07Å |
| 67 | R | 91.7 | Very high | 88.2 | Confident | 70 Ų | 70 | 26.6 Ų | 26.6 | 26% | 0.264 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 127.1 | 169.8 | -164.5 | 76.4 | 179.8 | 104.4 | -2.3 | 111.2 | D24 A76 L108 W118 | D24-R67 IonicContact OD1-NH1 3.94Å; D24-R67 PolarHBondContact OD1-NH1 3.09Å; D24-R67 WeakPolarHBondContact OD2-CA 3.28Å; D24-R67 WeakPolarHBondContact OD2-CD 3.35Å; D24-R67 IonicContact OD2-CZ 2.91Å; D24-R67 IonicContact OD2-NH1 2.67Å; D24-R67 PolarHBondContact OD2-NH1 2.79Å; R67-A76 PolarHBondContact N-O 3.41Å; R67-A76 PolarHBondContact O-N 3.37Å; R67-L108 HydrophobicContact CB-CB 3.88Å; R67-L108 WeakPolarHBondContact CG-O 3.33Å; R67-W118 HydrophobicContact CB-CZ3 4.14Å; R67-W118 HydrophobicContact CG-CZ3 4.42Å; R67-W118 WeakPolarHBondContact O-CH2 3.44Å; R67-W118 WeakPolarHBondContact O-CZ3 3.44Å |
| 68 | F | 90.5 | Very high | 88.4 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 2% | 0.022 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 156.1 | 170.5 | -75.5 | -85.5 | 0 | 0 | 0 | 112 | D24 V26 L32 A34 L44 L75 L89 | D24-F68 HydrophobicContact CB-CD2 4.05Å; D24-F68 HydrophobicContact CB-CE2 4.4Å; D24-F68 PolarHBondContact OD2-N 2.95Å; V26-F68 HydrophobicContact CB-CB 4.4Å; V26-F68 HydrophobicContact CB-CD1 4.28Å; V26-F68 HydrophobicContact CB-CD2 3.94Å; V26-F68 HydrophobicContact CB-CE2 4.19Å; V26-F68 HydrophobicContact CB-CG 3.98Å; V26-F68 HydrophobicContact CB-CZ 4.47Å; V26-F68 HydrophobicContact CG2-CB 3.36Å; V26-F68 HydrophobicContact CG2-CD1 4.11Å; V26-F68 HydrophobicContact CG2-CD2 3.59Å; V26-F68 HydrophobicContact CG2-CE2 4.34Å; V26-F68 HydrophobicContact CG2-CG 3.45Å; V26-F68 VanDerWaalsContact CG2-CG 3.45Å; L32-F68 HydrophobicContact CB-CZ 4.35Å; A34-F68 HydrophobicContact CB-CE1 4.48Å; A34-F68 HydrophobicContact CB-CE2 3.58Å; A34-F68 HydrophobicContact CB-CZ 3.56Å; L44-F68 HydrophobicContact CD1-CE1 3.89Å; L44-F68 HydrophobicContact CD1-CZ 3.72Å; F68-L75 HydrophobicContact CD1-CB 4.39Å; F68-L75 HydrophobicContact CD1-CD1 3.97Å; F68-L75 HydrophobicContact CD2-CD1 4.03Å; F68-L75 HydrophobicContact CE1-CD1 4.17Å; F68-L75 HydrophobicContact CE2-CD1 4.23Å; F68-L75 HydrophobicContact CG-CD1 3.9Å; F68-L75 HydrophobicContact CZ-CD1 4.3Å; F68-L89 HydrophobicContact CD1-CD1 3.67Å; F68-L89 HydrophobicContact CE1-CD1 3.64Å; F68-L89 HydrophobicContact CE1-CD2 4.3Å |
| 69 | S | 89.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | trans | -77.3 | 155.6 | 166.3 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | D71 E72 C73 L74 N110 | S69-D71 VanDerWaalsContact CB-OD1 3.27Å; S69-D71 WeakPolarHBondContact CB-OD1 3.44Å; S69-D71 PolarHBondContact O-N 3.44Å; S69-D71 VanDerWaalsContact O-N 3.13Å; S69-D71 PolarHBondContact OG-OD1 2.93Å; S69-E72 PolarHBondContact O-N 3.43Å; S69-C73 PolarHBondContact OG-N 3.45Å; S69-L74 PolarHBondContact N-O 2.85Å; S69-L74 WeakPolarHBondContact OG-CB 3.49Å; S69-L74 PolarHBondContact OG-N 2.98Å; S69-L74 PolarHBondContact OG-O 2.84Å; S69-N110 VanDerWaalsContact CA-OD1 3.23Å; S69-N110 WeakPolarHBondContact CA-OD1 3.49Å; S69-N110 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 70 | G | 80.9 | Confident | 89 | Confident | 38 Ų | 38 | 19.4 Ų | 19.4 | 39% | 0.392 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K28 N110 | K28-G70 PolarHBondContact NZ-O 3.49Å; G70-N110 PolarHBondContact N-OD1 2.93Å |
| 71 | D | 81 | Confident | 89.1 | Confident | 60 Ų | 60 | 16.1 Ų | 16.1 | 32% | 0.321 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 3.9 | 176.9 | 77.2 | -21.1 | 0 | 0 | 0 | 114.2 | S69 C73 R115 | S69-D71 VanDerWaalsContact CB-OD1 3.27Å; S69-D71 WeakPolarHBondContact CB-OD1 3.44Å; S69-D71 PolarHBondContact O-N 3.44Å; S69-D71 VanDerWaalsContact O-N 3.13Å; S69-D71 PolarHBondContact OG-OD1 2.93Å; D71-C73 PolarHBondContact O-N 3.26Å; D71-C73 VanDerWaalsContact O-N 3.08Å; D71-C73 PolarHBondContact O-SG 3.23Å; D71-C73 PolarHBondContact OD1-N 3.03Å; D71-R115 WeakPolarHBondContact OD2-CD 3.3Å; D71-R115 IonicContact OD2-CZ 2.83Å; D71-R115 IonicContact OD2-NE 3.61Å; D71-R115 PolarHBondContact OD2-NE 2.81Å; D71-R115 IonicContact OD2-NH1 3.61Å; D71-R115 PolarHBondContact OD2-NH1 3.37Å |
| 72 | E | 83.1 | Confident | 89.2 | Confident | 27 Ų | 27 | 16 Ų | 16 | 13% | 0.126 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 61.2 | 10.4 | 179.8 | -42.2 | -170.7 | 144.9 | 0 | 0 | 115 | V26 K28 S69 L89 | V26-E72 HydrophobicContact CG1-CB 3.9Å; V26-E72 VanDerWaalsContact CG1-CD 3.42Å; V26-E72 HydrophobicContact CG1-CG 3.5Å; V26-E72 VanDerWaalsContact CG1-CG 3.5Å; V26-E72 WeakPolarHBondContact CG1-OE1 3.43Å; K28-E72 WeakPolarHBondContact CA-OE1 3.34Å; K28-E72 WeakPolarHBondContact CB-OE1 3.45Å; K28-E72 WeakPolarHBondContact CG-OE1 3.47Å; K28-E72 PolarHBondContact N-OE1 3.09Å; S69-E72 PolarHBondContact O-N 3.43Å; E72-L89 WeakPolarHBondContact O-CD1 3.36Å |
| 73 | C | 85.7 | Confident | 89.4 | Confident | 51 Ų | 51 | 14.8 Ų | 14.8 | 35% | 0.345 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -100.5 | -15.3 | -174.2 | -64.8 | 0 | 0 | 0 | 0 | 114.2 | S69 D71 L89 R115 | S69-C73 PolarHBondContact OG-N 3.45Å; D71-C73 PolarHBondContact O-N 3.26Å; D71-C73 VanDerWaalsContact O-N 3.08Å; D71-C73 PolarHBondContact O-SG 3.23Å; D71-C73 PolarHBondContact OD1-N 3.03Å; C73-L89 PolarHBondContact O-N 3.38Å; C73-R115 VanDerWaalsContact CB-CZ 3.46Å; C73-R115 VanDerWaalsContact CB-NH1 3.25Å |
| 74 | L | 90.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 154.8 | 176.4 | -58.4 | 178.6 | 0 | 0 | 0 | 111.8 | S69 W87 I95 R115 W118 | S69-L74 PolarHBondContact N-O 2.85Å; S69-L74 WeakPolarHBondContact OG-CB 3.49Å; S69-L74 PolarHBondContact OG-N 2.98Å; S69-L74 PolarHBondContact OG-O 2.84Å; L74-W87 WeakPolarHBondContact CA-O 3.47Å; L74-I95 HydrophobicContact CD2-CD1 3.26Å; L74-R115 HydrophobicContact CD1-CG 3.73Å; L74-R115 VanDerWaalsContact CD2-NH2 3.34Å; L74-R115 HydrophobicContact CG-CG 4.33Å; L74-W118 HydrophobicContact CB-CZ2 4.16Å; L74-W118 HydrophobicContact CD1-CZ2 4.24Å |
| 75 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.6 | 164.2 | 179.1 | 68.2 | 0 | 0 | 0 | 109 | A34 V42 M56 L66 F68 W87 L89 | A34-L75 HydrophobicContact CB-CD1 3.78Å; A34-L75 HydrophobicContact CB-CD2 3.54Å; A34-L75 HydrophobicContact CB-CG 4.34Å; V42-L75 HydrophobicContact CG1-CD2 3.4Å; M56-L75 HydrophobicContact CE-CD2 3.8Å; L66-L75 HydrophobicContact CD2-CD1 4.4Å; L66-L75 HydrophobicContact CD2-CD2 4.35Å; L66-L75 HydrophobicContact CD2-CG 4.38Å; F68-L75 HydrophobicContact CD1-CB 4.39Å; F68-L75 HydrophobicContact CD1-CD1 3.97Å; F68-L75 HydrophobicContact CD2-CD1 4.03Å; F68-L75 HydrophobicContact CE1-CD1 4.17Å; F68-L75 HydrophobicContact CE2-CD1 4.23Å; F68-L75 HydrophobicContact CG-CD1 3.9Å; F68-L75 HydrophobicContact CZ-CD1 4.3Å; L75-W87 PolarHBondContact N-O 3.2Å; L75-W87 VanDerWaalsContact N-O 3.11Å; L75-W87 PolarHBondContact O-N 2.85Å; L75-L89 HydrophobicContact CB-CD1 4.3Å; L75-L89 HydrophobicContact CB-CD2 3.95Å; L75-L89 HydrophobicContact CB-CG 4.26Å; L75-L89 HydrophobicContact CD2-CD2 4.48Å |
| 76 | A | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 147.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L66 R67 I84 F86 L108 W118 | L66-A76 WeakPolarHBondContact CA-O 3.07Å; R67-A76 PolarHBondContact N-O 3.41Å; R67-A76 PolarHBondContact O-N 3.37Å; A76-I84 HydrophobicContact CB-CG2 4.3Å; A76-F86 HydrophobicContact CB-CD1 3.7Å; A76-F86 HydrophobicContact CB-CE1 3.63Å; A76-L108 HydrophobicContact CB-CD1 3.87Å; A76-W118 HydrophobicContact CB-CD2 4.3Å; A76-W118 HydrophobicContact CB-CE3 3.63Å; A76-W118 HydrophobicContact CB-CH2 3.59Å; A76-W118 HydrophobicContact CB-CZ2 4.24Å; A76-W118 HydrophobicContact CB-CZ3 3.25Å |
| 77 | S | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 121.9 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | H59 T65 I84 K85 W87 | H59-S77 PolarHBondContact CE1-O 2.85Å; H59-S77 PolarHBondContact NE2-O 3.44Å; H59-S77 PolarHBondContact NE2-OG 2.94Å; T65-S77 CarbonylContact O-C 3.59Å; T65-S77 WeakPolarHBondContact O-CA 3.42Å; S77-I84 CarbonylContact O-C 3.6Å; S77-I84 VanDerWaalsContact O-CA 3.29Å; S77-I84 WeakPolarHBondContact O-CA 3.34Å; S77-K85 PolarHBondContact N-O 2.93Å; S77-K85 PolarHBondContact O-N 3.34Å; S77-K85 PolarHBondContact OG-O 2.93Å; S77-W87 PolarHBondContact OG-NE1 3Å |
| 78 | G | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I63 E64 T65 | I63-G78 WeakPolarHBondContact CG2-O 3.41Å; E64-G78 PolarHBondContact N-O 3.29Å; T65-G78 PolarHBondContact N-O 2.94Å; T65-G78 PolarHBondContact O-N 2.93Å |
| 79 | S | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 159.3 | -172.2 | 174.6 | 0 | 0 | 0 | 0 | 113.2 | C61 P62 S81 G82 I83 I105 | C61-S79 WeakPolarHBondContact CB-OG 3.46Å; P62-S79 WeakPolarHBondContact O-CA 3.42Å; P62-S79 PolarHBondContact O-OG 3.34Å; S79-S81 WeakPolarHBondContact CB-OG 3.46Å; S79-S81 PolarHBondContact O-N 3.36Å; S79-S81 PolarHBondContact OG-N 3.49Å; S79-S81 VanDerWaalsContact OG-N 3.17Å; S79-S81 PolarHBondContact OG-OG 3.45Å; S79-G82 PolarHBondContact O-N 2.91Å; S79-G82 VanDerWaalsContact O-N 3.09Å; S79-I83 WeakPolarHBondContact CB-O 3.45Å; S79-I83 PolarHBondContact N-O 2.88Å; S79-I105 PolarHBondContact O-N 2.88Å |
| 80 | V | 91 | Very high | 89.7 | Confident | 10 Ų | 10 | 17.9 Ų | 17.9 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -34.6 | 165.7 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | C61 P62 E64 G82 T104 D607 | C61-V80 HydrophobicContact CB-CB 4.39Å; P62-V80 HydrophobicContact CB-CG2 3.95Å; P62-V80 HydrophobicContact CG-CG2 4.38Å; P62-V80 PolarHBondContact O-N 2.84Å; E64-V80 HydrophobicContact CG-CG2 3.61Å; E64-V80 WeakPolarHBondContact OE1-CG2 3.49Å; V80-G82 PolarHBondContact O-N 2.66Å; V80-G82 VanDerWaalsContact O-N 3.14Å; V80-T104 WeakPolarHBondContact O-CA 3.47Å; V80-T104 PolarHBondContact O-OG1 3.44Å; V80-D607 HydrophobicContact CG1-CB 4.34Å |
| 81 | S | 89.4 | Confident | 89.7 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 2.8 | 178 | 51.6 | 0 | 0 | 0 | 0 | 115.4 | S79 I83 E614 | S79-S81 WeakPolarHBondContact CB-OG 3.46Å; S79-S81 PolarHBondContact O-N 3.36Å; S79-S81 PolarHBondContact OG-N 3.49Å; S79-S81 VanDerWaalsContact OG-N 3.17Å; S79-S81 PolarHBondContact OG-OG 3.45Å; S81-I83 PolarHBondContact O-N 2.81Å; S81-E614 PolarHBondContact OG-OE2 2.91Å |
| 82 | G | 90 | Very high | 89.8 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 70.7 | 20.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S79 V80 S99 D100 K103 | S79-G82 PolarHBondContact O-N 2.91Å; S79-G82 VanDerWaalsContact O-N 3.09Å; V80-G82 PolarHBondContact O-N 2.66Å; V80-G82 VanDerWaalsContact O-N 3.14Å; G82-S99 CarbonylContact O-C 3.55Å; G82-D100 PolarHBondContact O-N 3.1Å; G82-K103 WeakPolarHBondContact CA-O 3.5Å |
| 83 | I | 92.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.7 | 178.6 | -68.6 | 160.8 | 0 | 0 | 0 | 109.8 | H59 S79 S81 K85 I98 E614 L615 L618 | H59-I83 PolarHBondContact CE1-O 2.72Å; S79-I83 WeakPolarHBondContact CB-O 3.45Å; S79-I83 PolarHBondContact N-O 2.88Å; S81-I83 PolarHBondContact O-N 2.81Å; I83-K85 HydrophobicContact CG2-CG 3.97Å; I83-I98 CarbonylContact C-O 3.59Å; I83-I98 WeakPolarHBondContact CA-O 3.43Å; I83-E614 HydrophobicContact CD1-CB 3.96Å; I83-E614 HydrophobicContact CD1-CG 3.48Å; I83-E614 VanDerWaalsContact CD1-CG 3.48Å; I83-L615 HydrophobicContact CD1-CB 4.44Å; I83-L618 HydrophobicContact CD1-CD1 3.67Å |
| 84 | I | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.8 | 167 | -45.2 | 169 | 0 | 0 | 0 | 107.6 | A76 S77 F86 S97 I98 I105 L108 | A76-I84 HydrophobicContact CB-CG2 4.3Å; S77-I84 CarbonylContact O-C 3.6Å; S77-I84 VanDerWaalsContact O-CA 3.29Å; S77-I84 WeakPolarHBondContact O-CA 3.34Å; I84-F86 HydrophobicContact CB-CE2 4.06Å; I84-F86 HydrophobicContact CB-CZ 4.26Å; I84-F86 HydrophobicContact CG2-CD2 4.27Å; I84-F86 HydrophobicContact CG2-CE1 4.01Å; I84-F86 HydrophobicContact CG2-CE2 3.61Å; I84-F86 HydrophobicContact CG2-CZ 3.48Å; I84-F86 VanDerWaalsContact CG2-CZ 3.48Å; I84-S97 CarbonylContact O-C 3.53Å; I84-S97 WeakPolarHBondContact O-CA 3.48Å; I84-I98 HydrophobicContact CB-CB 4.4Å; I84-I98 HydrophobicContact CD1-CG2 4.46Å; I84-I98 PolarHBondContact N-O 2.98Å; I84-I98 PolarHBondContact O-N 3.08Å; I84-I105 HydrophobicContact CB-CD1 4.46Å; I84-I105 HydrophobicContact CD1-CD1 4.18Å; I84-I105 HydrophobicContact CG1-CD1 3.3Å; I84-L108 HydrophobicContact CD1-CD2 4.01Å; I84-L108 HydrophobicContact CG1-CD2 4.26Å; I84-L108 HydrophobicContact CG2-CD1 4.23Å; I84-L108 HydrophobicContact CG2-CD2 4.22Å |
| 85 | K | 93.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 23.8 Ų | 23.8 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.9 | 166.7 | -60.2 | -178.8 | -149.1 | -117.6 | 0 | 109.8 | G58 H59 S77 I83 W87 E614 | G58-K85 VanDerWaalsContact O-CE 3.23Å; G58-K85 WeakPolarHBondContact O-CE 3.46Å; G58-K85 PolarHBondContact O-NZ 3.02Å; H59-K85 VanDerWaalsContact CE1-CE 3.48Å; H59-K85 WeakPolarHBondContact CE1-CE 3.2Å; H59-K85 VanDerWaalsContact CG-CE 3.42Å; H59-K85 WeakPolarHBondContact ND1-CE 3.44Å; S77-K85 PolarHBondContact N-O 2.93Å; S77-K85 PolarHBondContact O-N 3.34Å; S77-K85 PolarHBondContact OG-O 2.93Å; I83-K85 HydrophobicContact CG2-CG 3.97Å; K85-W87 HydrophobicContact CB-CZ2 4.12Å; K85-W87 HydrophobicContact CD-CZ2 4.24Å; K85-E614 WeakPolarHBondContact CE-OE1 3.29Å; K85-E614 IonicContact NZ-OE1 2.91Å; K85-E614 PolarHBondContact NZ-OE1 2.85Å |
| 86 | F | 93.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.3 | 177.4 | -60.3 | -86.2 | 0 | 0 | 0 | 109.1 | A76 I84 A94 I95 C96 I98 W118 T132 | A76-F86 HydrophobicContact CB-CD1 3.7Å; A76-F86 HydrophobicContact CB-CE1 3.63Å; I84-F86 HydrophobicContact CB-CE2 4.06Å; I84-F86 HydrophobicContact CB-CZ 4.26Å; I84-F86 HydrophobicContact CG2-CD2 4.27Å; I84-F86 HydrophobicContact CG2-CE1 4.01Å; I84-F86 HydrophobicContact CG2-CE2 3.61Å; I84-F86 HydrophobicContact CG2-CZ 3.48Å; I84-F86 VanDerWaalsContact CG2-CZ 3.48Å; F86-A94 CarbonylContact O-C 3.58Å; F86-A94 WeakPolarHBondContact O-CA 3.36Å; F86-I95 PolarHBondContact O-N 3.2Å; F86-C96 PolarHBondContact N-O 3.4Å; F86-I98 HydrophobicContact CE2-CB 4.42Å; F86-I98 HydrophobicContact CE2-CD1 3.69Å; F86-I98 HydrophobicContact CE2-CG1 3.92Å; F86-I98 HydrophobicContact CZ-CD1 4.29Å; F86-W118 HydrophobicContact CD1-CD2 4.33Å; F86-W118 AromaticContact CD1-CE2 3.99Å; F86-W118 HydrophobicContact CD1-CZ2 4.24Å; F86-W118 HydrophobicContact CE1-CB 4.27Å; F86-W118 AromaticContact CE1-CD1 3.73Å; F86-W118 AromaticContact CE1-CD2 3.59Å; F86-W118 HydrophobicContact CE1-CD2 3.59Å; F86-W118 AromaticContact CE1-CE2 3.69Å; F86-W118 HydrophobicContact CE1-CE3 4.16Å; F86-W118 AromaticContact CE1-CG 3.62Å; F86-W118 HydrophobicContact CE1-CG 3.62Å; F86-W118 HydrophobicContact CE1-CZ2 4.31Å; F86-W118 AromaticContact CE1-NE1 3.81Å; F86-W118 HydrophobicContact CZ-CB 4.42Å; F86-W118 HydrophobicContact CZ-CG 4.2Å; F86-T132 HydrophobicContact CD1-CG2 3.87Å; F86-T132 HydrophobicContact CD2-CG2 4.01Å; F86-T132 HydrophobicContact CE1-CG2 3.81Å; F86-T132 HydrophobicContact CE2-CG2 3.96Å; F86-T132 HydrophobicContact CG-CG2 3.97Å; F86-T132 HydrophobicContact CZ-CG2 3.85Å |
| 87 | W | 93 | Very high | 89.5 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 137.2 | -177.9 | -52.6 | 93.5 | 0 | 0 | 0 | 110.7 | M56 L74 L75 S77 K85 S93 A94 | M56-W87 HydrophobicContact CB-CD2 3.91Å; M56-W87 HydrophobicContact CB-CE3 3.66Å; M56-W87 HydrophobicContact CB-CH2 4.16Å; M56-W87 HydrophobicContact CB-CZ2 4.38Å; M56-W87 HydrophobicContact CB-CZ3 3.79Å; M56-W87 HydrophobicContact CE-CB 4.13Å; M56-W87 HydrophobicContact CE-CG 4.11Å; M56-W87 HydrophobicContact CG-CD2 4.46Å; M56-W87 HydrophobicContact CG-CE3 4.14Å; M56-W87 HydrophobicContact SD-CB 3.61Å; M56-W87 HydrophobicContact SD-CD2 4Å; M56-W87 HydrophobicContact SD-CE3 4.03Å; M56-W87 HydrophobicContact SD-CG 3.82Å; L74-W87 WeakPolarHBondContact CA-O 3.47Å; L75-W87 PolarHBondContact N-O 3.2Å; L75-W87 VanDerWaalsContact N-O 3.11Å; L75-W87 PolarHBondContact O-N 2.85Å; S77-W87 PolarHBondContact OG-NE1 3Å; K85-W87 HydrophobicContact CB-CZ2 4.12Å; K85-W87 HydrophobicContact CD-CZ2 4.24Å; W87-S93 WeakPolarHBondContact CA-O 3.43Å; W87-A94 HydrophobicContact CD2-CB 4.45Å; W87-A94 HydrophobicContact CE3-CB 3.82Å; W87-A94 HydrophobicContact CH2-CB 4.2Å; W87-A94 HydrophobicContact CZ3-CB 3.69Å |
| 88 | D | 90 | Very high | 89.3 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117.7 | 166.8 | -178.2 | -6.5 | 0 | 0 | 0 | 109.4 | S90 C91 G92 S93 I95 | D88-S90 PolarHBondContact O-N 2.62Å; D88-S90 VanDerWaalsContact OD1-CB 3.32Å; D88-S90 WeakPolarHBondContact OD1-CB 3.21Å; D88-S90 PolarHBondContact OD1-N 2.82Å; D88-S90 PolarHBondContact OD1-OG 2.91Å; D88-S90 PolarHBondContact OD2-OG 2.94Å; D88-C91 VanDerWaalsContact CG-SG 3.56Å; D88-C91 PolarHBondContact O-N 3.08Å; D88-C91 PolarHBondContact OD2-SG 2.99Å; D88-G92 WeakPolarHBondContact O-CA 3.28Å; D88-G92 PolarHBondContact O-N 2.85Å; D88-S93 PolarHBondContact N-O 2.96Å; D88-I95 HydrophobicContact CB-CD1 3.91Å; D88-I95 HydrophobicContact CB-CG1 3.89Å |
| 89 | L | 86 | Confident | 89.1 | Confident | 20 Ų | 20 | 30.2 Ų | 30.2 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.7 | -178.6 | -67.1 | 168.1 | 0 | 0 | 0 | 113.3 | L44 M56 F68 E72 C73 L75 | L44-L89 HydrophobicContact CD1-CD2 3.91Å; L44-L89 HydrophobicContact CD2-CD2 3.88Å; L44-L89 HydrophobicContact CG-CD2 4.44Å; M56-L89 HydrophobicContact CE-CD2 4.48Å; F68-L89 HydrophobicContact CD1-CD1 3.67Å; F68-L89 HydrophobicContact CE1-CD1 3.64Å; F68-L89 HydrophobicContact CE1-CD2 4.3Å; E72-L89 WeakPolarHBondContact O-CD1 3.36Å; C73-L89 PolarHBondContact O-N 3.38Å; L75-L89 HydrophobicContact CB-CD1 4.3Å; L75-L89 HydrophobicContact CB-CD2 3.95Å; L75-L89 HydrophobicContact CB-CG 4.26Å; L75-L89 HydrophobicContact CD2-CD2 4.48Å |
| 90 | S | 85.7 | Confident | 88.6 | Confident | 104 Ų | 104 | 30.2 Ų | 30.2 | 73% | 0.727 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -24.7 | 175.8 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | D88 | D88-S90 PolarHBondContact O-N 2.62Å; D88-S90 VanDerWaalsContact OD1-CB 3.32Å; D88-S90 WeakPolarHBondContact OD1-CB 3.21Å; D88-S90 PolarHBondContact OD1-N 2.82Å; D88-S90 PolarHBondContact OD1-OG 2.91Å; D88-S90 PolarHBondContact OD2-OG 2.94Å |
| 91 | C | 80.2 | Confident | 87.9 | Confident | 69 Ų | 69 | 34.7 Ų | 34.7 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | 1.3 | -176.1 | 68.5 | 0 | 0 | 0 | 0 | 115.3 | D88 S93 | D88-C91 VanDerWaalsContact CG-SG 3.56Å; D88-C91 PolarHBondContact O-N 3.08Å; D88-C91 PolarHBondContact OD2-SG 2.99Å; C91-S93 PolarHBondContact O-N 3.15Å; C91-S93 VanDerWaalsContact O-N 3.14Å; C91-S93 PolarHBondContact O-OG 2.9Å |
| 92 | G | 82.5 | Confident | 87.2 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 12.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | M56 D88 | M56-G92 WeakPolarHBondContact CG-O 3.08Å; D88-G92 WeakPolarHBondContact O-CA 3.28Å; D88-G92 PolarHBondContact O-N 2.85Å |
| 93 | S | 84.5 | Confident | 86.9 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 147 | -172.9 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | W87 D88 C91 I95 | W87-S93 WeakPolarHBondContact CA-O 3.43Å; D88-S93 PolarHBondContact N-O 2.96Å; C91-S93 PolarHBondContact O-N 3.15Å; C91-S93 VanDerWaalsContact O-N 3.14Å; C91-S93 PolarHBondContact O-OG 2.9Å; S93-I95 PolarHBondContact O-N 3.02Å |
| 94 | A | 88 | Confident | 86.8 | Confident | 53 Ų | 53 | 43 Ų | 43 | 44% | 0.438 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | F86 W87 | F86-A94 CarbonylContact O-C 3.58Å; F86-A94 WeakPolarHBondContact O-CA 3.36Å; W87-A94 HydrophobicContact CD2-CB 4.45Å; W87-A94 HydrophobicContact CE3-CB 3.82Å; W87-A94 HydrophobicContact CH2-CB 4.2Å; W87-A94 HydrophobicContact CZ3-CB 3.69Å |
| 95 | I | 87.5 | Confident | 86.8 | Confident | 101 Ų | 101 | 43 Ų | 43 | 52% | 0.518 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -49.5 | 175 | -58.4 | 171.4 | 0 | 0 | 0 | 109.6 | L74 F86 D88 S93 | L74-I95 HydrophobicContact CD2-CD1 3.26Å; F86-I95 PolarHBondContact O-N 3.2Å; D88-I95 HydrophobicContact CB-CD1 3.91Å; D88-I95 HydrophobicContact CB-CG1 3.89Å; S93-I95 PolarHBondContact O-N 3.02Å |
| 96 | C | 88.8 | Confident | 86.7 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 162.1 | 179.6 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | F86 | F86-C96 PolarHBondContact N-O 3.4Å |
| 97 | S | 90.5 | Very high | 86.6 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.7 | 170.7 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | I84 | I84-S97 CarbonylContact O-C 3.53Å; I84-S97 WeakPolarHBondContact O-CA 3.48Å |
| 98 | I | 90.9 | Very high | 86.7 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.2 | 177.6 | -65 | -173.4 | 0 | 0 | 0 | 108.5 | I83 I84 F86 W130 P135 | I83-I98 CarbonylContact C-O 3.59Å; I83-I98 WeakPolarHBondContact CA-O 3.43Å; I84-I98 HydrophobicContact CB-CB 4.4Å; I84-I98 HydrophobicContact CD1-CG2 4.46Å; I84-I98 PolarHBondContact N-O 2.98Å; I84-I98 PolarHBondContact O-N 3.08Å; F86-I98 HydrophobicContact CE2-CB 4.42Å; F86-I98 HydrophobicContact CE2-CD1 3.69Å; F86-I98 HydrophobicContact CE2-CG1 3.92Å; F86-I98 HydrophobicContact CZ-CD1 4.29Å; I98-W130 HydrophobicContact CD1-CB 4.03Å; I98-W130 HydrophobicContact CD1-CD2 4.4Å; I98-W130 HydrophobicContact CD1-CE3 4.26Å; I98-W130 HydrophobicContact CD1-CG 4.35Å; I98-W130 HydrophobicContact CG2-CD2 3.68Å; I98-W130 HydrophobicContact CG2-CE3 3.34Å; I98-W130 HydrophobicContact CG2-CG 4.49Å; I98-W130 HydrophobicContact CG2-CH2 3.54Å; I98-W130 HydrophobicContact CG2-CZ2 3.88Å; I98-W130 HydrophobicContact CG2-CZ3 3.27Å; I98-P135 HydrophobicContact CD1-CB 4.05Å; I98-P135 HydrophobicContact CG1-CB 3.58Å |
| 99 | S | 88 | Confident | 86.8 | Confident | 51 Ų | 51 | 42 Ų | 42 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.2 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | G82 N101 | G82-S99 CarbonylContact O-C 3.55Å; S99-N101 VanDerWaalsContact C-N 3.31Å; S99-N101 PolarHBondContact O-N 2.94Å |
| 100 | D | 81.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -90.4 | 60.2 | 173.8 | -161.2 | -31.6 | 0 | 0 | 0 | 110.9 | G82 E102 K103 S120 N122 R128 W130 | G82-D100 PolarHBondContact O-N 3.1Å; D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 2.79Å; D100-K103 WeakPolarHBondContact O-CB 3.31Å; D100-K103 PolarHBondContact O-N 2.92Å; D100-S120 PolarHBondContact OD2-OG 2.98Å; D100-S120 VanDerWaalsContact OD2-OG 3.07Å; D100-N122 PolarHBondContact OD1-ND2 2.81Å; D100-N122 PolarHBondContact OD2-ND2 3.18Å; D100-N122 PolarHBondContact OD2-OD1 2.76Å; D100-R128 IonicContact OD1-CZ 2.67Å; D100-R128 IonicContact OD1-NE 3.05Å; D100-R128 PolarHBondContact OD1-NE 2.81Å; D100-R128 IonicContact OD1-NH1 2.84Å; D100-R128 IonicContact OD1-NH2 2.86Å; D100-R128 PolarHBondContact OD1-NH2 3.13Å; D100-R128 WeakPolarHBondContact OD2-CD 3.37Å; D100-R128 IonicContact OD2-NE 2.75Å; D100-W130 HydrophobicContact CB-CH2 4.37Å; D100-W130 HydrophobicContact CB-CZ2 3.87Å | ||
| 101 | N | 76.6 | Confident | 87.3 | Confident | 104 Ų | 104 | 37.3 Ų | 37.3 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 43.7 | 171.9 | -54.5 | 31 | 0 | 0 | 0 | 114.9 | S99 K103 R128 | S99-N101 VanDerWaalsContact C-N 3.31Å; S99-N101 PolarHBondContact O-N 2.94Å; N101-K103 PolarHBondContact O-N 3.49Å; N101-R128 VanDerWaalsContact CG-NH2 3.26Å; N101-R128 PolarHBondContact OD1-NH1 2.95Å; N101-R128 PolarHBondContact OD1-NH2 2.81Å |
| 102 | E | 73.8 | Confident | 87.5 | Confident | 81 Ų | 81 | 37.5 Ų | 37.5 | 38% | 0.379 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 17.1 | 176.6 | -59.3 | 164.1 | -148.9 | 0 | 0 | 115.2 | D100 G612 L615 K619 | D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 2.79Å; E102-G612 WeakPolarHBondContact OE2-CA 3.11Å; E102-L615 HydrophobicContact CG-CB 4.36Å; E102-L615 HydrophobicContact CG-CD2 3.82Å; E102-K619 IonicContact OE1-NZ 2.68Å |
| 103 | K | 83.8 | Confident | 87.5 | Confident | 63 Ų | 63 | 41.7 Ų | 41.7 | 27% | 0.274 | 25% | 0.248 | S | C | . | . | trans | -91.1 | 127.3 | 177 | -62.4 | -178.2 | 176.1 | -170.1 | 0 | 112.1 | G82 D100 N101 I105 N122 D124 | G82-K103 WeakPolarHBondContact CA-O 3.5Å; D100-K103 WeakPolarHBondContact O-CB 3.31Å; D100-K103 PolarHBondContact O-N 2.92Å; N101-K103 PolarHBondContact O-N 3.49Å; K103-I105 PolarHBondContact O-N 2.91Å; K103-N122 HydrophobicContact CB-CB 4.38Å; K103-D124 WeakPolarHBondContact CE-OD2 3.44Å; K103-D124 IonicContact NZ-OD1 2.74Å; K103-D124 IonicContact NZ-OD2 3.65Å; K103-D124 PolarHBondContact NZ-OD2 2.98Å | ||
| 104 | T | 90.7 | Very high | 87.5 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -57.5 | 129.1 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | E64 V80 N122 T123 | E64-T104 HydrophobicContact CG-CG2 3.91Å; V80-T104 WeakPolarHBondContact O-CA 3.47Å; V80-T104 PolarHBondContact O-OG1 3.44Å; T104-N122 WeakPolarHBondContact O-CA 3.43Å; T104-T123 HydrophobicContact CG2-CG2 3.75Å; T104-T123 PolarHBondContact O-N 2.88Å | ||
| 105 | I | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 109.1 | -175.4 | -45.5 | -172.7 | 0 | 0 | 0 | 109.5 | E64 T65 S79 I84 K103 L108 G121 | E64-I105 WeakPolarHBondContact CB-O 3.41Å; T65-I105 HydrophobicContact CG2-CB 4.27Å; T65-I105 HydrophobicContact CG2-CG2 3.91Å; T65-I105 WeakPolarHBondContact CG2-O 3.24Å; S79-I105 PolarHBondContact O-N 2.88Å; I84-I105 HydrophobicContact CB-CD1 4.46Å; I84-I105 HydrophobicContact CD1-CD1 4.18Å; I84-I105 HydrophobicContact CG1-CD1 3.3Å; K103-I105 PolarHBondContact O-N 2.91Å; I105-L108 HydrophobicContact CG2-CD2 4.21Å; I105-L108 HydrophobicContact CG2-CG 4.33Å; I105-G121 CarbonylContact C-O 3.52Å |
| 106 | S | 91.6 | Very high | 87.5 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -31.4 | -178 | 41.5 | 0 | 0 | 0 | 0 | 113.1 | G121 V149 | S106-G121 PolarHBondContact N-O 2.85Å; S106-G121 PolarHBondContact OG-O 2.91Å; S106-V149 WeakPolarHBondContact CB-O 3.42Å; S106-V149 PolarHBondContact OG-O 3.08Å |
| 107 | C | 92.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.7 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | G121 V149 | C107-G121 PolarHBondContact N-O 3.22Å; C107-G121 PolarHBondContact O-N 3.11Å; C107-V149 PolarHBondContact SG-O 3.22Å |
| 108 | L | 94.2 | Very high | 87.8 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.9 | 179 | -74 | 171.4 | 0 | 0 | 0 | 111 | T65 R67 A76 I84 I105 A119 | T65-L108 HydrophobicContact CG2-CD1 3.75Å; T65-L108 HydrophobicContact CG2-CG 3.73Å; R67-L108 HydrophobicContact CB-CB 3.88Å; R67-L108 WeakPolarHBondContact CG-O 3.33Å; A76-L108 HydrophobicContact CB-CD1 3.87Å; I84-L108 HydrophobicContact CD1-CD2 4.01Å; I84-L108 HydrophobicContact CG1-CD2 4.26Å; I84-L108 HydrophobicContact CG2-CD1 4.23Å; I84-L108 HydrophobicContact CG2-CD2 4.22Å; I105-L108 HydrophobicContact CG2-CD2 4.21Å; I105-L108 HydrophobicContact CG2-CG 4.33Å; L108-A119 WeakPolarHBondContact CA-O 3.48Å |
| 109 | A | 92.8 | Very high | 88 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | W118 A119 L152 F154 | A109-W118 CarbonylContact O-C 3.58Å; A109-W118 VanDerWaalsContact O-CA 3.22Å; A109-W118 WeakPolarHBondContact O-CA 3.29Å; A109-A119 HydrophobicContact CB-CB 4.48Å; A109-A119 PolarHBondContact N-O 2.92Å; A109-A119 PolarHBondContact O-N 3.01Å; A109-L152 HydrophobicContact CB-CB 3.92Å; A109-F154 HydrophobicContact CB-CD2 3.95Å; A109-F154 HydrophobicContact CB-CE2 4.05Å |
| 110 | N | 92.6 | Very high | 88.3 | Confident | 22 Ų | 22 | 35.7 Ų | 35.7 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.8 | 173.9 | 177 | -131.8 | 0 | 0 | 0 | 110.1 | S69 G70 R115 V117 W118 F154 | S69-N110 VanDerWaalsContact CA-OD1 3.23Å; S69-N110 WeakPolarHBondContact CA-OD1 3.49Å; S69-N110 WeakPolarHBondContact CB-OD1 3.47Å; G70-N110 PolarHBondContact N-OD1 2.93Å; N110-R115 PolarHBondContact ND2-O 3.1Å; N110-V117 PolarHBondContact ND2-O 3.39Å; N110-W118 HydrophobicContact CB-CD2 3.83Å; N110-W118 HydrophobicContact CB-CE3 3.67Å; N110-W118 HydrophobicContact CB-CH2 3.86Å; N110-W118 HydrophobicContact CB-CZ2 4.01Å; N110-W118 HydrophobicContact CB-CZ3 3.67Å; N110-W118 PolarHBondContact ND2-NE1 2.89Å; N110-F154 VanDerWaalsContact C-CD2 3.46Å; N110-F154 WeakPolarHBondContact O-CD2 3.44Å |
| 111 | S | 90.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | trans | -74.5 | 123.9 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | L113 C114 V117 | S111-L113 PolarHBondContact O-N 2.62Å; S111-C114 CarbonylContact O-C 3.55Å; S111-C114 PolarHBondContact O-N 3.02Å; S111-C114 VanDerWaalsContact O-N 3.13Å; S111-V117 PolarHBondContact N-O 2.96Å | ||
| 112 | S | 83.3 | Confident | 89.7 | Confident | 72 Ų | 72 | 30.7 Ų | 30.7 | 50% | 0.503 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -56.6 | -33.5 | 176.6 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | P156 | S112-P156 PolarHBondContact OG-O 3.24Š|
| 113 | L | 83.8 | Confident | 90.6 | Very high | 105 Ų | 105 | 30.1 Ų | 30.1 | 55% | 0.55 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -80.9 | -27.8 | 179.2 | -58.9 | -176.1 | 0 | 0 | 0 | 113 | S111 H157 | S111-L113 PolarHBondContact O-N 2.62Å; L113-H157 VanDerWaalsContact CD1-C 3.49Å |
| 114 | C | 84.4 | Confident | 90.8 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 37% | 0.365 | 17% | 0.168 | S | C | . | . | trans | -136.5 | 95 | -166.8 | -73.3 | 0 | 0 | 0 | 0 | 111.2 | S111 N116 V117 | S111-C114 CarbonylContact O-C 3.55Å; S111-C114 PolarHBondContact O-N 3.02Å; S111-C114 VanDerWaalsContact O-N 3.13Å; C114-N116 PolarHBondContact O-N 2.88Å; C114-V117 HydrophobicContact CB-CB 3.91Å; C114-V117 HydrophobicContact CB-CG2 3.73Å; C114-V117 PolarHBondContact O-N 3.03Å | ||
| 115 | R | 86.2 | Confident | 90.9 | Very high | 94 Ų | 94 | 28 Ų | 28 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.8 | -35.7 | 175.1 | -177.6 | -169.4 | 177.5 | 144.5 | -10.4 | 114.3 | D71 C73 L74 N110 W118 | D71-R115 WeakPolarHBondContact OD2-CD 3.3Å; D71-R115 IonicContact OD2-CZ 2.83Å; D71-R115 IonicContact OD2-NE 3.61Å; D71-R115 PolarHBondContact OD2-NE 2.81Å; D71-R115 IonicContact OD2-NH1 3.61Å; D71-R115 PolarHBondContact OD2-NH1 3.37Å; C73-R115 VanDerWaalsContact CB-CZ 3.46Å; C73-R115 VanDerWaalsContact CB-NH1 3.25Å; L74-R115 HydrophobicContact CD1-CG 3.73Å; L74-R115 VanDerWaalsContact CD2-NH2 3.34Å; L74-R115 HydrophobicContact CG-CG 4.33Å; N110-R115 PolarHBondContact ND2-O 3.1Å; R115-W118 PolarHBondContact O-NE1 3.48Å |
| 116 | N | 88.9 | Confident | 90.9 | Very high | 52 Ų | 52 | 28 Ų | 28 | 28% | 0.278 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -12.9 | -175.9 | -60.1 | -17.8 | 0 | 0 | 0 | 114 | C114 D131 T132 R133 | C114-N116 PolarHBondContact O-N 2.88Å; N116-D131 WeakPolarHBondContact CB-OD1 3.42Å; N116-D131 CarbonylContact O-C 3.58Å; N116-D131 WeakPolarHBondContact O-CA 3.15Å; N116-T132 WeakPolarHBondContact CA-OG1 3.34Å; N116-T132 VanDerWaalsContact CB-OG1 3.29Å; N116-T132 WeakPolarHBondContact CB-OG1 3.33Å; N116-T132 PolarHBondContact O-N 3Å; N116-T132 PolarHBondContact O-OG1 3.3Å; N116-T132 PolarHBondContact OD1-OG1 3.07Å; N116-R133 HydrophobicContact CB-CG 4.33Å; N116-R133 WeakPolarHBondContact ND2-CD 3.27Å; N116-R133 WeakPolarHBondContact ND2-CG 3.17Å |
| 117 | V | 91.7 | Very high | 91 | Very high | 26 Ų | 26 | 27.3 Ų | 27.3 | 16% | 0.158 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.3 | -178 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | N110 S111 C114 V129 W130 F154 | N110-V117 PolarHBondContact ND2-O 3.39Å; S111-V117 PolarHBondContact N-O 2.96Å; C114-V117 HydrophobicContact CB-CB 3.91Å; C114-V117 HydrophobicContact CB-CG2 3.73Å; C114-V117 PolarHBondContact O-N 3.03Å; V117-V129 HydrophobicContact CG1-CG1 3.82Å; V117-W130 WeakPolarHBondContact CA-O 3.24Å; V117-F154 HydrophobicContact CG1-CE1 4.26Å; V117-F154 HydrophobicContact CG1-CZ 4.07Å |
| 118 | W | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.6 | -177.7 | -66 | 75.7 | 0 | 0 | 0 | 110.9 | R67 L74 A76 F86 A109 N110 R115 V129 W130 | R67-W118 HydrophobicContact CB-CZ3 4.14Å; R67-W118 HydrophobicContact CG-CZ3 4.42Å; R67-W118 WeakPolarHBondContact O-CH2 3.44Å; R67-W118 WeakPolarHBondContact O-CZ3 3.44Å; L74-W118 HydrophobicContact CB-CZ2 4.16Å; L74-W118 HydrophobicContact CD1-CZ2 4.24Å; A76-W118 HydrophobicContact CB-CD2 4.3Å; A76-W118 HydrophobicContact CB-CE3 3.63Å; A76-W118 HydrophobicContact CB-CH2 3.59Å; A76-W118 HydrophobicContact CB-CZ2 4.24Å; A76-W118 HydrophobicContact CB-CZ3 3.25Å; F86-W118 HydrophobicContact CD1-CD2 4.33Å; F86-W118 AromaticContact CD1-CE2 3.99Å; F86-W118 HydrophobicContact CD1-CZ2 4.24Å; F86-W118 HydrophobicContact CE1-CB 4.27Å; F86-W118 AromaticContact CE1-CD1 3.73Å; F86-W118 AromaticContact CE1-CD2 3.59Å; F86-W118 HydrophobicContact CE1-CD2 3.59Å; F86-W118 AromaticContact CE1-CE2 3.69Å; F86-W118 HydrophobicContact CE1-CE3 4.16Å; F86-W118 AromaticContact CE1-CG 3.62Å; F86-W118 HydrophobicContact CE1-CG 3.62Å; F86-W118 HydrophobicContact CE1-CZ2 4.31Å; F86-W118 AromaticContact CE1-NE1 3.81Å; F86-W118 HydrophobicContact CZ-CB 4.42Å; F86-W118 HydrophobicContact CZ-CG 4.2Å; A109-W118 CarbonylContact O-C 3.58Å; A109-W118 VanDerWaalsContact O-CA 3.22Å; A109-W118 WeakPolarHBondContact O-CA 3.29Å; N110-W118 HydrophobicContact CB-CD2 3.83Å; N110-W118 HydrophobicContact CB-CE3 3.67Å; N110-W118 HydrophobicContact CB-CH2 3.86Å; N110-W118 HydrophobicContact CB-CZ2 4.01Å; N110-W118 HydrophobicContact CB-CZ3 3.67Å; N110-W118 PolarHBondContact ND2-NE1 2.89Å; R115-W118 PolarHBondContact O-NE1 3.48Å; W118-V129 CarbonylContact O-C 3.59Å; W118-V129 WeakPolarHBondContact O-CA 3.47Å; W118-W130 PolarHBondContact N-O 2.85Å; W118-W130 PolarHBondContact O-N 2.94Å |
| 119 | A | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L108 A109 R128 V129 L152 F154 L161 | L108-A119 WeakPolarHBondContact CA-O 3.48Å; A109-A119 HydrophobicContact CB-CB 4.48Å; A109-A119 PolarHBondContact N-O 2.92Å; A109-A119 PolarHBondContact O-N 3.01Å; A119-R128 CarbonylContact C-O 3.49Å; A119-R128 WeakPolarHBondContact CA-O 3.37Å; A119-V129 HydrophobicContact CB-CG2 4.29Å; A119-L152 HydrophobicContact CB-CD1 3.93Å; A119-F154 HydrophobicContact CB-CE2 3.74Å; A119-F154 HydrophobicContact CB-CZ 3.72Å; A119-L161 HydrophobicContact CB-CD1 3.76Å; A119-L161 HydrophobicContact CB-CD2 4.11Å |
| 120 | S | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.2 | 166.7 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | D100 A127 R128 W130 | D100-S120 PolarHBondContact OD2-OG 2.98Å; D100-S120 VanDerWaalsContact OD2-OG 3.07Å; S120-A127 CarbonylContact O-C 3.49Å; S120-A127 VanDerWaalsContact O-CA 3.24Å; S120-A127 WeakPolarHBondContact O-CA 3.46Å; S120-R128 PolarHBondContact N-O 2.89Å; S120-R128 PolarHBondContact O-N 2.91Å; S120-W130 PolarHBondContact OG-NE1 3.17Å |
| 121 | G | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | I105 S106 C107 | I105-G121 CarbonylContact C-O 3.52Å; S106-G121 PolarHBondContact N-O 2.85Å; S106-G121 PolarHBondContact OG-O 2.91Å; C107-G121 PolarHBondContact N-O 3.22Å; C107-G121 PolarHBondContact O-N 3.11Å |
| 122 | N | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 158.3 | -167.6 | -59.3 | -31 | 0 | 0 | 0 | 111.6 | D100 K103 T104 D124 G125 S126 V149 | D100-N122 PolarHBondContact OD1-ND2 2.81Å; D100-N122 PolarHBondContact OD2-ND2 3.18Å; D100-N122 PolarHBondContact OD2-OD1 2.76Å; K103-N122 HydrophobicContact CB-CB 4.38Å; T104-N122 WeakPolarHBondContact O-CA 3.43Å; N122-D124 VanDerWaalsContact CB-OD1 3.3Å; N122-D124 WeakPolarHBondContact CB-OD1 3.43Å; N122-D124 PolarHBondContact O-N 3.2Å; N122-D124 VanDerWaalsContact O-N 3.16Å; N122-G125 PolarHBondContact O-N 2.98Å; N122-G125 VanDerWaalsContact O-N 3.1Å; N122-S126 WeakPolarHBondContact CB-O 3.18Å; N122-S126 PolarHBondContact N-O 2.89Å; N122-S126 PolarHBondContact ND2-OG 3Å; N122-V149 PolarHBondContact O-N 3.19Å |
| 123 | T | 92.1 | Very high | 90.9 | Very high | 68 Ų | 68 | 32.4 Ų | 32.4 | 42% | 0.417 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -14.1 | -178.9 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | T104 G125 S148 | T104-T123 HydrophobicContact CG2-CG2 3.75Å; T104-T123 PolarHBondContact O-N 2.88Å; T123-G125 VanDerWaalsContact C-N 3.34Å; T123-S148 VanDerWaalsContact O-CA 3.28Å; T123-S148 WeakPolarHBondContact O-CA 3.28Å; T123-S148 WeakPolarHBondContact O-CB 3.4Å; T123-S148 PolarHBondContact O-N 3.47Å |
| 124 | D | 89.8 | Confident | 91 | Very high | 54 Ų | 54 | 30.1 Ų | 30.1 | 29% | 0.289 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 2.4 | 175.2 | 83 | -47.4 | 0 | 0 | 0 | 113.8 | K103 N122 S126 Q143 | K103-D124 WeakPolarHBondContact CE-OD2 3.44Å; K103-D124 IonicContact NZ-OD1 2.74Å; K103-D124 IonicContact NZ-OD2 3.65Å; K103-D124 PolarHBondContact NZ-OD2 2.98Å; N122-D124 VanDerWaalsContact CB-OD1 3.3Å; N122-D124 WeakPolarHBondContact CB-OD1 3.43Å; N122-D124 PolarHBondContact O-N 3.2Å; N122-D124 VanDerWaalsContact O-N 3.16Å; D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 2.99Å; D124-S126 VanDerWaalsContact OD1-CB 3.27Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 3.5Å; D124-S126 PolarHBondContact OD1-OG 2.53Å; D124-S126 PolarHBondContact OD2-OG 2.87Å; D124-Q143 PolarHBondContact O-NE2 3.37Å; D124-Q143 PolarHBondContact OD2-NE2 2.91Å |
| 125 | G | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 80.5 | 5.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N122 T123 P144 H145 K147 | N122-G125 PolarHBondContact O-N 2.98Å; N122-G125 VanDerWaalsContact O-N 3.1Å; T123-G125 VanDerWaalsContact C-N 3.34Å; G125-P144 WeakPolarHBondContact O-CD 3.4Å; G125-P144 WeakPolarHBondContact O-CG 3.3Å; G125-H145 PolarHBondContact O-N 2.81Å; G125-K147 WeakPolarHBondContact CA-O 3.41Å |
| 126 | S | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | trans | -81.3 | 150.7 | 167.9 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | N122 D124 | N122-S126 WeakPolarHBondContact CB-O 3.18Å; N122-S126 PolarHBondContact N-O 2.89Å; N122-S126 PolarHBondContact ND2-OG 3Å; D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 2.99Å; D124-S126 VanDerWaalsContact OD1-CB 3.27Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 3.5Å; D124-S126 PolarHBondContact OD1-OG 2.53Å; D124-S126 PolarHBondContact OD2-OG 2.87Å | ||
| 127 | A | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S120 F142 P144 | S120-A127 CarbonylContact O-C 3.49Å; S120-A127 VanDerWaalsContact O-CA 3.24Å; S120-A127 WeakPolarHBondContact O-CA 3.46Å; A127-F142 HydrophobicContact CB-CD2 4.11Å; A127-F142 HydrophobicContact CB-CE2 3.68Å; A127-F142 HydrophobicContact CB-CZ 4.13Å; A127-F142 PolarHBondContact N-O 2.91Å; A127-F142 PolarHBondContact O-N 3.25Å; A127-P144 HydrophobicContact CB-CG 3.78Å |
| 128 | R | 92.8 | Very high | 89.9 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.6 | -178.1 | -58.9 | -164.1 | -167.6 | 178.4 | 15.3 | 111.5 | D100 N101 A119 S120 W130 A138 L140 T141 | D100-R128 IonicContact OD1-CZ 2.67Å; D100-R128 IonicContact OD1-NE 3.05Å; D100-R128 PolarHBondContact OD1-NE 2.81Å; D100-R128 IonicContact OD1-NH1 2.84Å; D100-R128 IonicContact OD1-NH2 2.86Å; D100-R128 PolarHBondContact OD1-NH2 3.13Å; D100-R128 WeakPolarHBondContact OD2-CD 3.37Å; D100-R128 IonicContact OD2-NE 2.75Å; N101-R128 VanDerWaalsContact CG-NH2 3.26Å; N101-R128 PolarHBondContact OD1-NH1 2.95Å; N101-R128 PolarHBondContact OD1-NH2 2.81Å; A119-R128 CarbonylContact C-O 3.49Å; A119-R128 WeakPolarHBondContact CA-O 3.37Å; S120-R128 PolarHBondContact N-O 2.89Å; S120-R128 PolarHBondContact O-N 2.91Å; R128-W130 HydrophobicContact CB-CZ2 3.97Å; R128-W130 HydrophobicContact CG-CZ2 4.34Å; R128-A138 HydrophobicContact CB-CB 4.29Å; R128-L140 CarbonylContact C-O 3.59Å; R128-L140 VanDerWaalsContact CA-O 3.26Å; R128-L140 WeakPolarHBondContact CA-O 3.35Å; R128-T141 WeakPolarHBondContact CD-OG1 3.17Å; R128-T141 HydrophobicContact CG-CG2 4.03Å |
| 129 | V | 93.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.5 | 170.8 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | V117 W118 A119 A138 V139 L140 F142 F154 L161 L175 | V117-V129 HydrophobicContact CG1-CG1 3.82Å; W118-V129 CarbonylContact O-C 3.59Å; W118-V129 WeakPolarHBondContact O-CA 3.47Å; A119-V129 HydrophobicContact CB-CG2 4.29Å; V129-A138 CarbonylContact O-C 3.54Å; V129-V139 PolarHBondContact O-N 2.89Å; V129-L140 HydrophobicContact CB-CB 4.11Å; V129-L140 HydrophobicContact CB-CD1 4.39Å; V129-L140 HydrophobicContact CB-CG 4.5Å; V129-L140 HydrophobicContact CG2-CB 4.41Å; V129-L140 HydrophobicContact CG2-CD1 4.34Å; V129-L140 PolarHBondContact N-O 3.13Å; V129-L140 PolarHBondContact O-N 3.47Å; V129-F142 HydrophobicContact CG2-CE1 4.12Å; V129-F142 HydrophobicContact CG2-CZ 4.2Å; V129-F154 HydrophobicContact CG1-CZ 4.43Å; V129-L161 HydrophobicContact CG2-CD2 4.32Å; V129-L175 HydrophobicContact CG2-CD2 4.07Å |
| 130 | W | 92.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.7 | -171.8 | -52 | 94.3 | 0 | 0 | 0 | 110.7 | I98 D100 V117 W118 S120 R128 A138 | I98-W130 HydrophobicContact CD1-CB 4.03Å; I98-W130 HydrophobicContact CD1-CD2 4.4Å; I98-W130 HydrophobicContact CD1-CE3 4.26Å; I98-W130 HydrophobicContact CD1-CG 4.35Å; I98-W130 HydrophobicContact CG2-CD2 3.68Å; I98-W130 HydrophobicContact CG2-CE3 3.34Å; I98-W130 HydrophobicContact CG2-CG 4.49Å; I98-W130 HydrophobicContact CG2-CH2 3.54Å; I98-W130 HydrophobicContact CG2-CZ2 3.88Å; I98-W130 HydrophobicContact CG2-CZ3 3.27Å; D100-W130 HydrophobicContact CB-CH2 4.37Å; D100-W130 HydrophobicContact CB-CZ2 3.87Å; V117-W130 WeakPolarHBondContact CA-O 3.24Å; W118-W130 PolarHBondContact N-O 2.85Å; W118-W130 PolarHBondContact O-N 2.94Å; S120-W130 PolarHBondContact OG-NE1 3.17Å; R128-W130 HydrophobicContact CB-CZ2 3.97Å; R128-W130 HydrophobicContact CG-CZ2 4.34Å; W130-A138 HydrophobicContact CD2-CB 4.19Å; W130-A138 VanDerWaalsContact CE3-CA 3.47Å; W130-A138 HydrophobicContact CE3-CB 3.75Å; W130-A138 HydrophobicContact CH2-CB 4.08Å; W130-A138 HydrophobicContact CZ2-CB 4.45Å; W130-A138 HydrophobicContact CZ3-CB 3.69Å |
| 131 | D | 90.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123 | 163.7 | -171.2 | -33.5 | 0 | 0 | 0 | 108.1 | N116 R133 S134 V139 | N116-D131 WeakPolarHBondContact CB-OD1 3.42Å; N116-D131 CarbonylContact O-C 3.58Å; N116-D131 WeakPolarHBondContact O-CA 3.15Å; D131-R133 PolarHBondContact O-N 3.33Å; D131-R133 VanDerWaalsContact O-N 3.14Å; D131-R133 WeakPolarHBondContact OD1-CB 3.2Å; D131-R133 WeakPolarHBondContact OD1-CG 3.08Å; D131-R133 PolarHBondContact OD1-N 3.38Å; D131-R133 IonicContact OD1-NE 3.54Å; D131-R133 PolarHBondContact OD1-NE 3.07Å; D131-R133 VanDerWaalsContact OD1-NE 3.15Å; D131-R133 IonicContact OD2-CZ 2.73Å; D131-R133 VanDerWaalsContact OD2-CZ 3.23Å; D131-R133 IonicContact OD2-NE 3.59Å; D131-R133 PolarHBondContact OD2-NE 2.97Å; D131-R133 IonicContact OD2-NH2 3.17Å; D131-R133 PolarHBondContact OD2-NH2 3.23Å; D131-S134 CarbonylContact O-C 3.6Å; D131-S134 PolarHBondContact O-N 3.5Å; D131-V139 HydrophobicContact CB-CG2 4Å |
| 132 | T | 87.3 | Confident | 89 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 14% | 0.135 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.5 | -179.9 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | F86 N116 S134 | F86-T132 HydrophobicContact CD1-CG2 3.87Å; F86-T132 HydrophobicContact CD2-CG2 4.01Å; F86-T132 HydrophobicContact CE1-CG2 3.81Å; F86-T132 HydrophobicContact CE2-CG2 3.96Å; F86-T132 HydrophobicContact CG-CG2 3.97Å; F86-T132 HydrophobicContact CZ-CG2 3.85Å; N116-T132 WeakPolarHBondContact CA-OG1 3.34Å; N116-T132 VanDerWaalsContact CB-OG1 3.29Å; N116-T132 WeakPolarHBondContact CB-OG1 3.33Å; N116-T132 PolarHBondContact O-N 3Å; N116-T132 PolarHBondContact O-OG1 3.3Å; N116-T132 PolarHBondContact OD1-OG1 3.07Å; T132-S134 VanDerWaalsContact C-N 3.33Å |
| 133 | R | 86.9 | Confident | 88.9 | Confident | 157 Ų | 157 | 50.2 Ų | 50.2 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -24.3 | 170.9 | -58.8 | 178.7 | -71 | 166.4 | 3.4 | 112.8 | N116 D131 E408 | N116-R133 HydrophobicContact CB-CG 4.33Å; N116-R133 WeakPolarHBondContact ND2-CD 3.27Å; N116-R133 WeakPolarHBondContact ND2-CG 3.17Å; D131-R133 PolarHBondContact O-N 3.33Å; D131-R133 VanDerWaalsContact O-N 3.14Å; D131-R133 WeakPolarHBondContact OD1-CB 3.2Å; D131-R133 WeakPolarHBondContact OD1-CG 3.08Å; D131-R133 PolarHBondContact OD1-N 3.38Å; D131-R133 IonicContact OD1-NE 3.54Å; D131-R133 PolarHBondContact OD1-NE 3.07Å; D131-R133 VanDerWaalsContact OD1-NE 3.15Å; D131-R133 IonicContact OD2-CZ 2.73Å; D131-R133 VanDerWaalsContact OD2-CZ 3.23Å; D131-R133 IonicContact OD2-NE 3.59Å; D131-R133 PolarHBondContact OD2-NE 2.97Å; D131-R133 IonicContact OD2-NH2 3.17Å; D131-R133 PolarHBondContact OD2-NH2 3.23Å; R133-E408 IonicContact NH1-OE1 2.67Å; R133-E408 PolarHBondContact NH1-OE1 2.93Å |
| 134 | S | 86.4 | Confident | 88.5 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 40% | 0.399 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -129.4 | 61.8 | -177.6 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | D131 T132 A136 K137 | D131-S134 CarbonylContact O-C 3.6Å; D131-S134 PolarHBondContact O-N 3.5Å; T132-S134 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.2Å; S134-K137 PolarHBondContact O-N 3.48Å |
| 135 | P | 81.4 | Confident | 88.5 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 31% | 0.312 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.1 | -168.5 | 26 | -36 | 0 | 0 | 0 | 114.9 | I98 K137 | I98-P135 HydrophobicContact CD1-CB 4.05Å; I98-P135 HydrophobicContact CG1-CB 3.58Å; P135-K137 VanDerWaalsContact C-N 3.32Å; P135-K137 PolarHBondContact O-N 3.46Å |
| 136 | A | 76.8 | Confident | 88.4 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 88% | 0.876 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -9.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | S134 | S134-A136 PolarHBondContact O-N 3.2Š|
| 137 | K | 83 | Confident | 88.5 | Confident | 164 Ų | 164 | 54.8 Ų | 54.8 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -151.9 | 136.4 | -176.8 | -165 | -173.9 | 175 | -176.2 | 0 | 112.1 | S134 P135 | S134-K137 PolarHBondContact O-N 3.48Å; P135-K137 VanDerWaalsContact C-N 3.32Å; P135-K137 PolarHBondContact O-N 3.46Å |
| 138 | A | 86.6 | Confident | 88.4 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | trans | -66.7 | 137.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R128 V129 W130 | R128-A138 HydrophobicContact CB-CB 4.29Å; V129-A138 CarbonylContact O-C 3.54Å; W130-A138 HydrophobicContact CD2-CB 4.19Å; W130-A138 VanDerWaalsContact CE3-CA 3.47Å; W130-A138 HydrophobicContact CE3-CB 3.75Å; W130-A138 HydrophobicContact CH2-CB 4.08Å; W130-A138 HydrophobicContact CZ2-CB 4.45Å; W130-A138 HydrophobicContact CZ3-CB 3.69Å | ||
| 139 | V | 88.3 | Confident | 88.5 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -71.7 | -38.9 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 110 | V129 D131 L411 | V129-V139 PolarHBondContact O-N 2.89Å; D131-V139 HydrophobicContact CB-CG2 4Å; V139-L411 HydrophobicContact CG1-CD1 4.25Å |
| 140 | L | 89.8 | Confident | 88.4 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.7 | 174.4 | -58.9 | 172 | 0 | 0 | 0 | 109.8 | R128 V129 F142 L175 K178 | R128-L140 CarbonylContact C-O 3.59Å; R128-L140 VanDerWaalsContact CA-O 3.26Å; R128-L140 WeakPolarHBondContact CA-O 3.35Å; V129-L140 HydrophobicContact CB-CB 4.11Å; V129-L140 HydrophobicContact CB-CD1 4.39Å; V129-L140 HydrophobicContact CB-CG 4.5Å; V129-L140 HydrophobicContact CG2-CB 4.41Å; V129-L140 HydrophobicContact CG2-CD1 4.34Å; V129-L140 PolarHBondContact N-O 3.13Å; V129-L140 PolarHBondContact O-N 3.47Å; L140-F142 HydrophobicContact CB-CD1 4.14Å; L140-F142 HydrophobicContact CB-CE1 3.88Å; L140-L175 HydrophobicContact CD1-CB 4.28Å; L140-L175 HydrophobicContact CD1-CD2 3.72Å; L140-K178 HydrophobicContact CD2-CB 4.44Å; L140-K178 HydrophobicContact CD2-CD 3.47Å; L140-K178 VanDerWaalsContact CD2-CD 3.47Å; L140-K178 HydrophobicContact CD2-CG 3.69Å |
| 141 | T | 89.9 | Confident | 88.4 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 129.7 | 170.5 | -62.2 | 0 | 0 | 0 | 0 | 108 | R128 | R128-T141 WeakPolarHBondContact CD-OG1 3.17Å; R128-T141 HydrophobicContact CG-CG2 4.03Å |
| 142 | F | 90.3 | Very high | 88.5 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.3 | 179.1 | 38.1 | -75.3 | 0 | 0 | 0 | 109.7 | A127 V129 L140 P144 L161 T163 W173 | A127-F142 HydrophobicContact CB-CD2 4.11Å; A127-F142 HydrophobicContact CB-CE2 3.68Å; A127-F142 HydrophobicContact CB-CZ 4.13Å; A127-F142 PolarHBondContact N-O 2.91Å; A127-F142 PolarHBondContact O-N 3.25Å; V129-F142 HydrophobicContact CG2-CE1 4.12Å; V129-F142 HydrophobicContact CG2-CZ 4.2Å; L140-F142 HydrophobicContact CB-CD1 4.14Å; L140-F142 HydrophobicContact CB-CE1 3.88Å; F142-P144 HydrophobicContact CD2-CB 4.26Å; F142-P144 HydrophobicContact CD2-CG 4.11Å; F142-P144 HydrophobicContact CE2-CG 4.5Å; F142-P144 WeakPolarHBondContact O-CD 3.46Å; F142-L161 HydrophobicContact CE2-CD2 4.02Å; F142-L161 HydrophobicContact CZ-CD2 3.6Å; F142-T163 HydrophobicContact CE2-CG2 4.31Å; F142-W173 HydrophobicContact CB-CE3 4.44Å; F142-W173 HydrophobicContact CB-CH2 4.41Å; F142-W173 HydrophobicContact CB-CZ3 4.09Å; F142-W173 AromaticContact CD2-CD2 3.83Å; F142-W173 HydrophobicContact CD2-CD2 3.83Å; F142-W173 AromaticContact CD2-CE3 3.98Å; F142-W173 HydrophobicContact CD2-CE3 3.98Å; F142-W173 HydrophobicContact CD2-CG 4.29Å; F142-W173 HydrophobicContact CD2-CZ2 4.41Å; F142-W173 HydrophobicContact CD2-CZ3 4.31Å; F142-W173 HydrophobicContact CE2-CD2 4.13Å; F142-W173 HydrophobicContact CE2-CG 4.11Å; F142-W173 HydrophobicContact CG-CE3 4.26Å; F142-W173 HydrophobicContact CG-CZ3 4.39Å |
| 143 | Q | 89.9 | Confident | 88.8 | Confident | 115 Ų | 115 | 56.5 Ų | 56.5 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | trans | -110.2 | 75 | 176.4 | -163.5 | 94.2 | 31.3 | 0 | 0 | 108.1 | D124 H145 | D124-Q143 PolarHBondContact O-NE2 3.37Å; D124-Q143 PolarHBondContact OD2-NE2 2.91Å; Q143-H145 VanDerWaalsContact C-N 3.34Å; Q143-H145 PolarHBondContact O-N 3.46Å | ||
| 144 | P | 83.9 | Confident | 89.1 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | trans | -67 | -32.6 | -171.5 | 26.7 | -37.2 | 0 | 0 | 0 | 113.8 | G125 A127 F142 V149 T163 K171 W173 | G125-P144 WeakPolarHBondContact O-CD 3.4Å; G125-P144 WeakPolarHBondContact O-CG 3.3Å; A127-P144 HydrophobicContact CB-CG 3.78Å; F142-P144 HydrophobicContact CD2-CB 4.26Å; F142-P144 HydrophobicContact CD2-CG 4.11Å; F142-P144 HydrophobicContact CE2-CG 4.5Å; F142-P144 WeakPolarHBondContact O-CD 3.46Å; P144-V149 HydrophobicContact CG-CG2 4.3Å; P144-T163 HydrophobicContact CB-CG2 4.46Å; P144-T163 HydrophobicContact CG-CG2 4.41Å; P144-K171 WeakPolarHBondContact O-CD 3.39Å; P144-K171 WeakPolarHBondContact O-CE 3.41Å; P144-K171 PolarHBondContact O-NZ 2.81Å; P144-W173 HydrophobicContact CB-CZ2 3.54Å | ||
| 145 | H | 91.1 | Very high | 89.3 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | trans | -130.2 | 157.3 | -170 | -67.1 | -84.2 | 0 | 0 | 0 | 112.3 | G125 Q143 K147 T163 S165 D167 S169 K171 | G125-H145 PolarHBondContact O-N 2.81Å; Q143-H145 VanDerWaalsContact C-N 3.34Å; Q143-H145 PolarHBondContact O-N 3.46Å; H145-K147 WeakPolarHBondContact CB-O 3.03Å; H145-T163 PolarHBondContact CD2-OG1 3.43Å; H145-T163 PolarHBondContact NE2-O 3.14Å; H145-T163 PolarHBondContact NE2-OG1 2.81Å; H145-S165 WeakPolarHBondContact CB-OG 3.34Å; H145-S165 WeakPolarHBondContact ND1-CB 3.37Å; H145-D167 WeakPolarHBondContact CA-OD2 3.47Å; H145-D167 VanDerWaalsContact CB-OD2 3.29Å; H145-D167 WeakPolarHBondContact CB-OD2 3.16Å; H145-D167 IonicContact CE1-OD1 3.79Å; H145-D167 IonicContact CG-OD1 3.46Å; H145-D167 IonicContact CG-OD2 3.91Å; H145-D167 IonicContact ND1-OD1 2.76Å; H145-D167 PolarHBondContact ND1-OD1 2.78Å; H145-D167 IonicContact ND1-OD2 3.07Å; H145-D167 PolarHBondContact ND1-OD2 2.75Å; H145-S169 PolarHBondContact CE1-O 2.83Å; H145-S169 VanDerWaalsContact CE1-O 3.3Å; H145-S169 PolarHBondContact CE1-OG 3.26Å; H145-S169 PolarHBondContact ND1-OG 2.85Å; H145-S169 VanDerWaalsContact ND1-OG 3.17Å; H145-K171 PolarHBondContact ND1-NZ 2.74Å | ||
| 146 | A | 90.1 | Very high | 89.4 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 77% | 0.769 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -87.4 | -8.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | D167 | A146-D167 PolarHBondContact N-OD2 3.04Š|
| 147 | K | 92.9 | Very high | 89.7 | Confident | 111 Ų | 111 | 45.4 Ų | 45.4 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -133.8 | 167.7 | 173.9 | -53.5 | -171.5 | -148.6 | 159.4 | 0 | 109.5 | G125 H145 S165 D166 D167 | G125-K147 WeakPolarHBondContact CA-O 3.41Å; H145-K147 WeakPolarHBondContact CB-O 3.03Å; K147-S165 PolarHBondContact O-OG 3.2Å; K147-D166 HydrophobicContact CB-CB 4.11Å; K147-D166 HydrophobicContact CD-CB 4.21Å; K147-D166 WeakPolarHBondContact CD-O 3.24Å; K147-D166 WeakPolarHBondContact CE-O 3.43Å; K147-D166 PolarHBondContact NZ-O 3.12Å; K147-D167 HydrophobicContact CB-CB 4.27Å; K147-D167 HydrophobicContact CD-CB 4.38Å; K147-D167 HydrophobicContact CG-CB 4.1Å |
| 148 | S | 92.8 | Very high | 89.7 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | trans | -28.7 | 131.4 | 169.9 | 169.9 | 0 | 0 | 0 | 0 | 115.1 | T123 G150 S165 D166 | T123-S148 VanDerWaalsContact O-CA 3.28Å; T123-S148 WeakPolarHBondContact O-CA 3.28Å; T123-S148 WeakPolarHBondContact O-CB 3.4Å; T123-S148 PolarHBondContact O-N 3.47Å; S148-G150 PolarHBondContact O-N 3.13Å; S148-S165 WeakPolarHBondContact O-CA 3.43Å; S148-S165 WeakPolarHBondContact O-CB 3.43Å; S148-S165 PolarHBondContact O-OG 3.06Å; S148-D166 WeakPolarHBondContact CB-OD2 3.44Å; S148-D166 PolarHBondContact O-N 3.33Å; S148-D166 VanDerWaalsContact O-N 3.14Å; S148-D166 PolarHBondContact OG-OD2 2.94Å | ||
| 149 | V | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 105.7 | 171.7 | -172.5 | 0 | 0 | 0 | 0 | 108 | S106 C107 N122 P144 C151 L152 G164 | S106-V149 WeakPolarHBondContact CB-O 3.42Å; S106-V149 PolarHBondContact OG-O 3.08Å; C107-V149 PolarHBondContact SG-O 3.22Å; N122-V149 PolarHBondContact O-N 3.19Å; P144-V149 HydrophobicContact CG-CG2 4.3Å; V149-C151 WeakPolarHBondContact CG1-O 3.39Å; V149-L152 HydrophobicContact CG1-CD2 3.96Å; V149-L152 HydrophobicContact CG1-CG 4.06Å; V149-G164 CarbonylContact C-O 3.55Å; V149-G164 WeakPolarHBondContact CG1-O 3.41Å |
| 150 | G | 91.1 | Very high | 90 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -35 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | S148 G164 | S148-G150 PolarHBondContact O-N 3.13Å; G150-G164 PolarHBondContact N-O 3.35Å |
| 151 | C | 92.7 | Very high | 90.2 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.4 | -176.1 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | V149 G164 V191 | V149-C151 WeakPolarHBondContact CG1-O 3.39Å; C151-G164 PolarHBondContact N-O 3.44Å; C151-G164 PolarHBondContact O-N 2.87Å; C151-V191 PolarHBondContact SG-O 3.13Å; C151-V191 VanDerWaalsContact SG-O 3.4Å |
| 152 | L | 94.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.6 | -178.7 | -77 | 177.4 | 0 | 0 | 0 | 110.4 | A109 A119 V149 L161 F162 T163 | A109-L152 HydrophobicContact CB-CB 3.92Å; A119-L152 HydrophobicContact CB-CD1 3.93Å; V149-L152 HydrophobicContact CG1-CD2 3.96Å; V149-L152 HydrophobicContact CG1-CG 4.06Å; L152-L161 HydrophobicContact CD2-CD2 4.16Å; L152-L161 HydrophobicContact CD2-CG 4.43Å; L152-F162 WeakPolarHBondContact CA-O 3.14Å; L152-T163 HydrophobicContact CD2-CG2 3.46Å; L152-T163 VanDerWaalsContact CD2-CG2 3.46Å |
| 153 | E | 93.2 | Very high | 90.6 | Very high | 34 Ų | 34 | 31.1 Ų | 31.1 | 16% | 0.159 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.2 | 172.7 | -168.2 | 174.8 | -156.8 | 0 | 0 | 112 | L161 F162 L194 D195 F196 | E153-L161 CarbonylContact O-C 3.59Å; E153-L161 WeakPolarHBondContact O-CA 3.16Å; E153-L161 WeakPolarHBondContact O-CD1 3.33Å; E153-F162 HydrophobicContact CB-CD2 4.44Å; E153-F162 PolarHBondContact N-O 3.26Å; E153-F162 VanDerWaalsContact N-O 3.1Å; E153-F162 PolarHBondContact O-N 2.99Å; E153-L194 HydrophobicContact CB-CB 4.27Å; E153-D195 WeakPolarHBondContact OE1-CA 3.46Å; E153-D195 WeakPolarHBondContact OE2-CA 3.18Å; E153-D195 PolarHBondContact OE2-N 2.97Å; E153-F196 PolarHBondContact OE1-N 3.11Å; E153-F196 PolarHBondContact OE2-N 3.21Å; E153-F196 VanDerWaalsContact OE2-N 3.15Å |
| 154 | F | 92 | Very high | 90.9 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.8 | 169.1 | -72.7 | -88.9 | 0 | 0 | 0 | 110.1 | A109 N110 V117 A119 V129 L161 L175 | A109-F154 HydrophobicContact CB-CD2 3.95Å; A109-F154 HydrophobicContact CB-CE2 4.05Å; N110-F154 VanDerWaalsContact C-CD2 3.46Å; N110-F154 WeakPolarHBondContact O-CD2 3.44Å; V117-F154 HydrophobicContact CG1-CE1 4.26Å; V117-F154 HydrophobicContact CG1-CZ 4.07Å; A119-F154 HydrophobicContact CB-CE2 3.74Å; A119-F154 HydrophobicContact CB-CZ 3.72Å; V129-F154 HydrophobicContact CG1-CZ 4.43Å; F154-L161 HydrophobicContact CD1-CD1 3.82Å; F154-L161 HydrophobicContact CD2-CD1 3.94Å; F154-L161 HydrophobicContact CE1-CD1 3.83Å; F154-L161 HydrophobicContact CE2-CD1 3.95Å; F154-L161 HydrophobicContact CG-CD1 3.88Å; F154-L161 HydrophobicContact CZ-CD1 3.9Å; F154-L175 HydrophobicContact CD1-CD1 3.87Å; F154-L175 HydrophobicContact CE1-CD1 3.71Å |
| 155 | S | 90.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -50.6 | 147.2 | 163 | 53.4 | 0 | 0 | 0 | 0 | 112 | H157 G158 S159 W160 | S155-H157 WeakPolarHBondContact CB-NE2 3.42Å; S155-H157 PolarHBondContact O-N 3.1Å; S155-H157 VanDerWaalsContact O-N 3.13Å; S155-H157 PolarHBondContact OG-CE1 3.2Å; S155-G158 WeakPolarHBondContact O-CA 3.39Å; S155-G158 PolarHBondContact O-N 2.9Å; S155-G158 PolarHBondContact OG-N 2.87Å; S155-S159 PolarHBondContact OG-N 2.94Å; S155-W160 PolarHBondContact N-O 2.81Å; S155-W160 PolarHBondContact OG-N 3.4Å; S155-W160 PolarHBondContact OG-O 2.86Å | ||
| 156 | P | 85.1 | Confident | 91.5 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 38% | 0.383 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.5 | 179.3 | -27.1 | 35.4 | 0 | 0 | 0 | 114.1 | S112 G158 F196 | S112-P156 PolarHBondContact OG-O 3.24Å; P156-G158 VanDerWaalsContact C-N 3.29Å; P156-F196 HydrophobicContact CG-CD1 3.32Å; P156-F196 HydrophobicContact CG-CE1 3.5Å; P156-F196 VanDerWaalsContact CG-CE1 3.5Å; P156-F196 HydrophobicContact CG-CG 4.02Å; P156-F196 HydrophobicContact CG-CZ 4.26Å |
| 157 | H | 82.9 | Confident | 91.7 | Very high | 64 Ų | 64 | 24.5 Ų | 24.5 | 30% | 0.296 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 12.3 | 174.1 | 62.5 | 86.9 | 0 | 0 | 0 | 113.5 | L113 S155 S159 W160 | L113-H157 VanDerWaalsContact CD1-C 3.49Å; S155-H157 WeakPolarHBondContact CB-NE2 3.42Å; S155-H157 PolarHBondContact O-N 3.1Å; S155-H157 VanDerWaalsContact O-N 3.13Å; S155-H157 PolarHBondContact OG-CE1 3.2Å; H157-S159 WeakPolarHBondContact ND1-CB 3.45Å; H157-S159 PolarHBondContact ND1-OG 3.3Å; H157-S159 PolarHBondContact O-N 2.83Å; H157-S159 PolarHBondContact O-OG 2.86Å; H157-W160 AromaticContact CE1-CD2 3.81Å; H157-W160 AromaticContact NE2-CE3 3.85Å |
| 158 | G | 83.2 | Confident | 91.8 | Very high | 19 Ų | 19 | 20.6 Ų | 20.6 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 57.2 | 15.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S155 P156 | S155-G158 WeakPolarHBondContact O-CA 3.39Å; S155-G158 PolarHBondContact O-N 2.9Å; S155-G158 PolarHBondContact OG-N 2.87Å; P156-G158 VanDerWaalsContact C-N 3.29Å |
| 159 | S | 87.2 | Confident | 91.9 | Very high | 12 Ų | 12 | 20 Ų | 20 | 8% | 0.084 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -106.2 | -27.3 | -172.6 | -52.5 | 0 | 0 | 0 | 0 | 112.7 | S155 H157 L175 R176 | S155-S159 PolarHBondContact OG-N 2.94Å; H157-S159 WeakPolarHBondContact ND1-CB 3.45Å; H157-S159 PolarHBondContact ND1-OG 3.3Å; H157-S159 PolarHBondContact O-N 2.83Å; H157-S159 PolarHBondContact O-OG 2.86Å; S159-L175 WeakPolarHBondContact O-CB 3.45Å; S159-L175 WeakPolarHBondContact O-CG 3.49Å; S159-L175 PolarHBondContact O-N 2.95Å; S159-R176 PolarHBondContact OG-NE 2.99Å; S159-R176 PolarHBondContact OG-NH2 3.01Å |
| 160 | W | 92.2 | Very high | 92 | Very high | 47 Ų | 47 | 20 Ų | 20 | 18% | 0.178 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148 | 171.4 | -54.8 | -25.8 | 0 | 0 | 0 | 111.6 | S155 H157 F162 I172 W173 L181 L201 L217 F220 | S155-W160 PolarHBondContact N-O 2.81Å; S155-W160 PolarHBondContact OG-N 3.4Å; S155-W160 PolarHBondContact OG-O 2.86Å; H157-W160 AromaticContact CE1-CD2 3.81Å; H157-W160 AromaticContact NE2-CE3 3.85Å; W160-F162 HydrophobicContact CB-CZ 4.47Å; W160-F162 HydrophobicContact CE3-CZ 4.18Å; W160-I172 HydrophobicContact CB-CG2 4.19Å; W160-I172 HydrophobicContact CD2-CG2 4.45Å; W160-I172 HydrophobicContact CG-CG2 4.32Å; W160-W173 CarbonylContact C-O 3.51Å; W160-W173 VanDerWaalsContact CA-O 3.24Å; W160-W173 WeakPolarHBondContact CA-O 3.27Å; W160-L181 HydrophobicContact CD2-CD1 4.39Å; W160-L181 HydrophobicContact CG-CD1 4.43Å; W160-L181 HydrophobicContact CZ2-CD1 4.32Å; W160-L201 HydrophobicContact CZ3-CD2 4.14Å; W160-L217 HydrophobicContact CZ3-CB 3.99Å; W160-L217 HydrophobicContact CZ3-CD1 4.28Å; W160-F220 HydrophobicContact CH2-CE1 4.47Å; W160-F220 HydrophobicContact CH2-CZ 4.19Å; W160-F220 HydrophobicContact CZ2-CZ 4.46Å |
| 161 | L | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.9 | 167.8 | -177.8 | 83.1 | 0 | 0 | 0 | 109.3 | A119 V129 F142 L152 E153 F154 T163 W173 L175 | A119-L161 HydrophobicContact CB-CD1 3.76Å; A119-L161 HydrophobicContact CB-CD2 4.11Å; V129-L161 HydrophobicContact CG2-CD2 4.32Å; F142-L161 HydrophobicContact CE2-CD2 4.02Å; F142-L161 HydrophobicContact CZ-CD2 3.6Å; L152-L161 HydrophobicContact CD2-CD2 4.16Å; L152-L161 HydrophobicContact CD2-CG 4.43Å; E153-L161 CarbonylContact O-C 3.59Å; E153-L161 WeakPolarHBondContact O-CA 3.16Å; E153-L161 WeakPolarHBondContact O-CD1 3.33Å; F154-L161 HydrophobicContact CD1-CD1 3.82Å; F154-L161 HydrophobicContact CD2-CD1 3.94Å; F154-L161 HydrophobicContact CE1-CD1 3.83Å; F154-L161 HydrophobicContact CE2-CD1 3.95Å; F154-L161 HydrophobicContact CG-CD1 3.88Å; F154-L161 HydrophobicContact CZ-CD1 3.9Å; L161-T163 HydrophobicContact CD2-CG2 4.12Å; L161-T163 HydrophobicContact CG-CG2 4.43Å; L161-W173 PolarHBondContact N-O 3.31Å; L161-W173 PolarHBondContact O-N 3.01Å; L161-L175 HydrophobicContact CB-CD1 4.33Å; L161-L175 HydrophobicContact CB-CD2 3.89Å; L161-L175 HydrophobicContact CB-CG 4.29Å |
| 162 | F | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.1 | 174 | -52.5 | -79.8 | 0 | 0 | 0 | 109.5 | L152 E153 W160 K171 I172 L194 F196 L203 L217 | L152-F162 WeakPolarHBondContact CA-O 3.14Å; E153-F162 HydrophobicContact CB-CD2 4.44Å; E153-F162 PolarHBondContact N-O 3.26Å; E153-F162 VanDerWaalsContact N-O 3.1Å; E153-F162 PolarHBondContact O-N 2.99Å; W160-F162 HydrophobicContact CB-CZ 4.47Å; W160-F162 HydrophobicContact CE3-CZ 4.18Å; F162-K171 WeakPolarHBondContact CA-O 3.32Å; F162-I172 HydrophobicContact CD1-CB 4.4Å; F162-I172 HydrophobicContact CD1-CD1 4.4Å; F162-I172 HydrophobicContact CD1-CG1 3.93Å; F162-I172 HydrophobicContact CD1-CG2 4.1Å; F162-I172 HydrophobicContact CE1-CB 4.45Å; F162-I172 HydrophobicContact CE1-CD1 4.01Å; F162-I172 HydrophobicContact CE1-CG1 4.01Å; F162-I172 HydrophobicContact CE1-CG2 3.82Å; F162-L194 HydrophobicContact CB-CD1 3.84Å; F162-F196 AromaticContact CE2-CD2 3.6Å; F162-F196 HydrophobicContact CE2-CD2 3.6Å; F162-F196 AromaticContact CE2-CE2 3.96Å; F162-F196 HydrophobicContact CE2-CE2 3.96Å; F162-F196 AromaticContact CZ-CD2 3.89Å; F162-F196 HydrophobicContact CZ-CD2 3.89Å; F162-F196 AromaticContact CZ-CE2 3.86Å; F162-F196 HydrophobicContact CZ-CE2 3.86Å; F162-L203 HydrophobicContact CB-CD2 4.36Å; F162-L203 HydrophobicContact CD1-CD1 4.25Å; F162-L203 HydrophobicContact CD1-CD2 3.53Å; F162-L203 HydrophobicContact CD1-CG 4.48Å; F162-L203 HydrophobicContact CD2-CD1 3.99Å; F162-L203 HydrophobicContact CE1-CD1 4.48Å; F162-L203 HydrophobicContact CE1-CD2 3.96Å; F162-L203 HydrophobicContact CE2-CD1 4.25Å; F162-L203 HydrophobicContact CG-CD1 4Å; F162-L203 HydrophobicContact CG-CD2 3.96Å; F162-L203 HydrophobicContact CZ-CD1 4.49Å; F162-L217 HydrophobicContact CE1-CD1 3.98Å; F162-L217 HydrophobicContact CE1-CD2 4.07Å; F162-L217 HydrophobicContact CZ-CD1 3.69Å |
| 163 | T | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.7 | 177.2 | 70.2 | 0 | 0 | 0 | 0 | 110 | F142 P144 H145 L152 L161 V170 K171 W173 | F142-T163 HydrophobicContact CE2-CG2 4.31Å; P144-T163 HydrophobicContact CB-CG2 4.46Å; P144-T163 HydrophobicContact CG-CG2 4.41Å; H145-T163 PolarHBondContact CD2-OG1 3.43Å; H145-T163 PolarHBondContact NE2-O 3.14Å; H145-T163 PolarHBondContact NE2-OG1 2.81Å; L152-T163 HydrophobicContact CD2-CG2 3.46Å; L152-T163 VanDerWaalsContact CD2-CG2 3.46Å; L161-T163 HydrophobicContact CD2-CG2 4.12Å; L161-T163 HydrophobicContact CG-CG2 4.43Å; T163-V170 CarbonylContact O-C 3.58Å; T163-V170 VanDerWaalsContact O-CA 3.27Å; T163-V170 WeakPolarHBondContact O-CA 3.41Å; T163-K171 PolarHBondContact N-O 2.8Å; T163-K171 PolarHBondContact O-N 3.08Å; T163-W173 PolarHBondContact OG1-NE1 3.37Å |
| 164 | G | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V149 G150 C151 | V149-G164 CarbonylContact C-O 3.55Å; V149-G164 WeakPolarHBondContact CG1-O 3.41Å; G150-G164 PolarHBondContact N-O 3.35Å; C151-G164 PolarHBondContact N-O 3.44Å; C151-G164 PolarHBondContact O-N 2.87Å |
| 165 | S | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 162 | -166.7 | 178.1 | 0 | 0 | 0 | 0 | 115 | H145 K147 S148 D167 C168 S169 V191 | H145-S165 WeakPolarHBondContact CB-OG 3.34Å; H145-S165 WeakPolarHBondContact ND1-CB 3.37Å; K147-S165 PolarHBondContact O-OG 3.2Å; S148-S165 WeakPolarHBondContact O-CA 3.43Å; S148-S165 WeakPolarHBondContact O-CB 3.43Å; S148-S165 PolarHBondContact O-OG 3.06Å; S165-D167 WeakPolarHBondContact CB-OD1 3.14Å; S165-D167 PolarHBondContact O-N 3.46Å; S165-D167 PolarHBondContact OG-N 2.71Å; S165-C168 PolarHBondContact O-N 2.99Å; S165-C168 VanDerWaalsContact O-N 3.11Å; S165-S169 PolarHBondContact N-O 3.49Å; S165-V191 PolarHBondContact O-N 3.47Å; S165-V191 VanDerWaalsContact O-N 3.09Å |
| 166 | D | 94.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 29 Ų | 29 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.7 | 164.9 | -59.9 | -22.9 | 0 | 0 | 0 | 112.9 | K147 S148 C168 P190 | K147-D166 HydrophobicContact CB-CB 4.11Å; K147-D166 HydrophobicContact CD-CB 4.21Å; K147-D166 WeakPolarHBondContact CD-O 3.24Å; K147-D166 WeakPolarHBondContact CE-O 3.43Å; K147-D166 PolarHBondContact NZ-O 3.12Å; S148-D166 WeakPolarHBondContact CB-OD2 3.44Å; S148-D166 PolarHBondContact O-N 3.33Å; S148-D166 VanDerWaalsContact O-N 3.14Å; S148-D166 PolarHBondContact OG-OD2 2.94Å; D166-C168 PolarHBondContact O-N 3.03Å; D166-P190 HydrophobicContact CB-CB 4.39Å; D166-P190 HydrophobicContact CB-CG 4.39Å; D166-P190 WeakPolarHBondContact OD1-CB 3.22Å |
| 167 | D | 93.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 29.9 Ų | 29.9 | 20% | 0.198 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 6.6 | 166.7 | 81 | 6.7 | 0 | 0 | 0 | 114.1 | H145 A146 K147 S165 S169 K171 | H145-D167 WeakPolarHBondContact CA-OD2 3.47Å; H145-D167 VanDerWaalsContact CB-OD2 3.29Å; H145-D167 WeakPolarHBondContact CB-OD2 3.16Å; H145-D167 IonicContact CE1-OD1 3.79Å; H145-D167 IonicContact CG-OD1 3.46Å; H145-D167 IonicContact CG-OD2 3.91Å; H145-D167 IonicContact ND1-OD1 2.76Å; H145-D167 PolarHBondContact ND1-OD1 2.78Å; H145-D167 IonicContact ND1-OD2 3.07Å; H145-D167 PolarHBondContact ND1-OD2 2.75Å; A146-D167 PolarHBondContact N-OD2 3.04Å; K147-D167 HydrophobicContact CB-CB 4.27Å; K147-D167 HydrophobicContact CD-CB 4.38Å; K147-D167 HydrophobicContact CG-CB 4.1Å; S165-D167 WeakPolarHBondContact CB-OD1 3.14Å; S165-D167 PolarHBondContact O-N 3.46Å; S165-D167 PolarHBondContact OG-N 2.71Å; D167-S169 PolarHBondContact O-N 3.34Å; D167-S169 WeakPolarHBondContact OD1-CB 3.35Å; D167-S169 PolarHBondContact OD1-N 3.1Å; D167-S169 PolarHBondContact OD1-OG 2.94Å; D167-K171 IonicContact OD2-NZ 2.77Å; D167-K171 PolarHBondContact OD2-NZ 2.98Å |
| 168 | C | 95.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 66.9 | 5.6 | 179.7 | -48 | 0 | 0 | 0 | 0 | 114.8 | S165 D166 H187 G189 | S165-C168 PolarHBondContact O-N 2.99Å; S165-C168 VanDerWaalsContact O-N 3.11Å; D166-C168 PolarHBondContact O-N 3.03Å; C168-H187 WeakPolarHBondContact CB-O 3.27Å; C168-H187 WeakPolarHBondContact O-CB 3.36Å; C168-G189 VanDerWaalsContact SG-CA 3.51Å |
| 169 | S | 95 | Very high | 92.4 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | trans | -102.3 | 154 | 176.1 | 72.1 | 0 | 0 | 0 | 0 | 113.9 | H145 S165 D167 K171 F184 | H145-S169 PolarHBondContact CE1-O 2.83Å; H145-S169 VanDerWaalsContact CE1-O 3.3Å; H145-S169 PolarHBondContact CE1-OG 3.26Å; H145-S169 PolarHBondContact ND1-OG 2.85Å; H145-S169 VanDerWaalsContact ND1-OG 3.17Å; S165-S169 PolarHBondContact N-O 3.49Å; D167-S169 PolarHBondContact O-N 3.34Å; D167-S169 WeakPolarHBondContact OD1-CB 3.35Å; D167-S169 PolarHBondContact OD1-N 3.1Å; D167-S169 PolarHBondContact OD1-OG 2.94Å; S169-K171 WeakPolarHBondContact OG-CE 3.28Å; S169-K171 PolarHBondContact OG-NZ 3.22Å; S169-F184 CarbonylContact C-O 3.57Å; S169-F184 WeakPolarHBondContact CA-O 3.5Å; S169-F184 VanDerWaalsContact CB-O 3.32Å; S169-F184 WeakPolarHBondContact CB-O 3.43Å | ||
| 170 | V | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.5 | 163.3 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | T163 F184 V191 L194 L203 | T163-V170 CarbonylContact O-C 3.58Å; T163-V170 VanDerWaalsContact O-CA 3.27Å; T163-V170 WeakPolarHBondContact O-CA 3.41Å; V170-F184 HydrophobicContact CB-CB 4.26Å; V170-F184 HydrophobicContact CB-CD2 4.23Å; V170-F184 HydrophobicContact CG1-CD2 4.39Å; V170-F184 PolarHBondContact N-O 3.27Å; V170-F184 PolarHBondContact O-N 2.93Å; V170-V191 HydrophobicContact CG2-CB 4.44Å; V170-V191 HydrophobicContact CG2-CG1 3.96Å; V170-V191 HydrophobicContact CG2-CG2 3.9Å; V170-L194 HydrophobicContact CG1-CD1 4.29Å; V170-L194 HydrophobicContact CG1-CD2 3.91Å; V170-L194 HydrophobicContact CG2-CD2 4.06Å; V170-L203 HydrophobicContact CG1-CD2 4.21Å |
| 171 | K | 95 | Very high | 92.4 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.9 | -179.3 | -68.8 | 172.5 | 179.6 | 142.9 | 0 | 111.3 | P144 H145 F162 T163 D167 S169 T182 T183 | P144-K171 WeakPolarHBondContact O-CD 3.39Å; P144-K171 WeakPolarHBondContact O-CE 3.41Å; P144-K171 PolarHBondContact O-NZ 2.81Å; H145-K171 PolarHBondContact ND1-NZ 2.74Å; F162-K171 WeakPolarHBondContact CA-O 3.32Å; T163-K171 PolarHBondContact N-O 2.8Å; T163-K171 PolarHBondContact O-N 3.08Å; D167-K171 IonicContact OD2-NZ 2.77Å; D167-K171 PolarHBondContact OD2-NZ 2.98Å; S169-K171 WeakPolarHBondContact OG-CE 3.28Å; S169-K171 PolarHBondContact OG-NZ 3.22Å; K171-T182 WeakPolarHBondContact CA-O 3.46Å; K171-T183 HydrophobicContact CD-CG2 4.24Å; K171-T183 VanDerWaalsContact CE-CG2 3.45Å; K171-T183 HydrophobicContact CG-CG2 3.76Å |
| 172 | I | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.2 | 179.5 | -45.3 | -174.7 | 0 | 0 | 0 | 109.1 | W160 F162 N180 L181 T182 F184 L217 F220 | W160-I172 HydrophobicContact CB-CG2 4.19Å; W160-I172 HydrophobicContact CD2-CG2 4.45Å; W160-I172 HydrophobicContact CG-CG2 4.32Å; F162-I172 HydrophobicContact CD1-CB 4.4Å; F162-I172 HydrophobicContact CD1-CD1 4.4Å; F162-I172 HydrophobicContact CD1-CG1 3.93Å; F162-I172 HydrophobicContact CD1-CG2 4.1Å; F162-I172 HydrophobicContact CE1-CB 4.45Å; F162-I172 HydrophobicContact CE1-CD1 4.01Å; F162-I172 HydrophobicContact CE1-CG1 4.01Å; F162-I172 HydrophobicContact CE1-CG2 3.82Å; I172-N180 CarbonylContact O-C 3.57Å; I172-N180 WeakPolarHBondContact O-CA 3.48Å; I172-N180 PolarHBondContact O-OD1 3.38Å; I172-L181 HydrophobicContact CB-CB 4.34Å; I172-L181 HydrophobicContact CG2-CB 4.48Å; I172-L181 HydrophobicContact CG2-CD1 4.07Å; I172-L181 PolarHBondContact O-N 2.95Å; I172-T182 VanDerWaalsContact CD1-OG1 3.29Å; I172-T182 WeakPolarHBondContact CD1-OG1 3.37Å; I172-T182 PolarHBondContact N-O 3.41Å; I172-F184 HydrophobicContact CD1-CE2 3.87Å; I172-F184 HydrophobicContact CD1-CZ 3.9Å; I172-F184 HydrophobicContact CG1-CE2 4.28Å; I172-L217 HydrophobicContact CD1-CD2 3.76Å; I172-F220 HydrophobicContact CD1-CD1 3.58Å; I172-F220 HydrophobicContact CD1-CE1 3.64Å |
| 173 | W | 93 | Very high | 92.2 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.9 | -179.9 | -64.9 | 79.4 | 0 | 0 | 0 | 110.8 | F142 P144 W160 L161 T163 L175 Q179 N180 | F142-W173 HydrophobicContact CB-CE3 4.44Å; F142-W173 HydrophobicContact CB-CH2 4.41Å; F142-W173 HydrophobicContact CB-CZ3 4.09Å; F142-W173 AromaticContact CD2-CD2 3.83Å; F142-W173 HydrophobicContact CD2-CD2 3.83Å; F142-W173 AromaticContact CD2-CE3 3.98Å; F142-W173 HydrophobicContact CD2-CE3 3.98Å; F142-W173 HydrophobicContact CD2-CG 4.29Å; F142-W173 HydrophobicContact CD2-CZ2 4.41Å; F142-W173 HydrophobicContact CD2-CZ3 4.31Å; F142-W173 HydrophobicContact CE2-CD2 4.13Å; F142-W173 HydrophobicContact CE2-CG 4.11Å; F142-W173 HydrophobicContact CG-CE3 4.26Å; F142-W173 HydrophobicContact CG-CZ3 4.39Å; P144-W173 HydrophobicContact CB-CZ2 3.54Å; W160-W173 CarbonylContact C-O 3.51Å; W160-W173 VanDerWaalsContact CA-O 3.24Å; W160-W173 WeakPolarHBondContact CA-O 3.27Å; L161-W173 PolarHBondContact N-O 3.31Å; L161-W173 PolarHBondContact O-N 3.01Å; T163-W173 PolarHBondContact OG1-NE1 3.37Å; W173-L175 PolarHBondContact O-N 2.96Å; W173-Q179 WeakPolarHBondContact CA-O 3.38Å; W173-N180 HydrophobicContact CD2-CB 4.28Å; W173-N180 HydrophobicContact CE3-CB 4.2Å; W173-N180 HydrophobicContact CH2-CB 3.77Å; W173-N180 HydrophobicContact CZ2-CB 3.82Å; W173-N180 HydrophobicContact CZ3-CB 3.97Å |
| 174 | D | 91.5 | Very high | 92.2 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 116.5 | 165.8 | 178.9 | 18.9 | 0 | 0 | 0 | 109.7 | R176 C177 K178 Q179 L181 | D174-R176 PolarHBondContact O-N 3.23Å; D174-R176 WeakPolarHBondContact OD1-CB 3.33Å; D174-R176 WeakPolarHBondContact OD1-CG 3.23Å; D174-R176 PolarHBondContact OD1-N 2.94Å; D174-C177 HydrophobicContact CB-CB 4.31Å; D174-C177 VanDerWaalsContact OD2-CB 3.24Å; D174-C177 WeakPolarHBondContact OD2-CB 3.39Å; D174-C177 PolarHBondContact OD2-N 2.78Å; D174-C177 PolarHBondContact OD2-SG 3.03Å; D174-K178 VanDerWaalsContact O-CA 3.24Å; D174-K178 WeakPolarHBondContact O-CA 3.49Å; D174-K178 PolarHBondContact O-N 2.93Å; D174-Q179 PolarHBondContact N-O 2.87Å; D174-Q179 PolarHBondContact O-N 2.94Å; D174-L181 HydrophobicContact CB-CD1 4.14Å; D174-L181 HydrophobicContact CB-CD2 4.06Å; D174-L181 HydrophobicContact CB-CG 4.07Å |
| 175 | L | 89.2 | Confident | 92.1 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.2 | 179.6 | -58.2 | 173.6 | 0 | 0 | 0 | 112.1 | V129 L140 F154 S159 L161 W173 | V129-L175 HydrophobicContact CG2-CD2 4.07Å; L140-L175 HydrophobicContact CD1-CB 4.28Å; L140-L175 HydrophobicContact CD1-CD2 3.72Å; F154-L175 HydrophobicContact CD1-CD1 3.87Å; F154-L175 HydrophobicContact CE1-CD1 3.71Å; S159-L175 WeakPolarHBondContact O-CB 3.45Å; S159-L175 WeakPolarHBondContact O-CG 3.49Å; S159-L175 PolarHBondContact O-N 2.95Å; L161-L175 HydrophobicContact CB-CD1 4.33Å; L161-L175 HydrophobicContact CB-CD2 3.89Å; L161-L175 HydrophobicContact CB-CG 4.29Å; W173-L175 PolarHBondContact O-N 2.96Å |
| 176 | R | 87 | Confident | 91.9 | Very high | 181 Ų | 181 | 55.4 Ų | 55.4 | 68% | 0.683 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -56.6 | 175.9 | -52.1 | 177.8 | -176 | -169.1 | 4.1 | 110.7 | S159 D174 K178 | S159-R176 PolarHBondContact OG-NE 2.99Å; S159-R176 PolarHBondContact OG-NH2 3.01Å; D174-R176 PolarHBondContact O-N 3.23Å; D174-R176 WeakPolarHBondContact OD1-CB 3.33Å; D174-R176 WeakPolarHBondContact OD1-CG 3.23Å; D174-R176 PolarHBondContact OD1-N 2.94Å; R176-K178 VanDerWaalsContact C-N 3.31Å; R176-K178 PolarHBondContact O-N 2.92Å |
| 177 | C | 85.9 | Confident | 91.9 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.8 | 178.4 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | D174 Q179 | D174-C177 HydrophobicContact CB-CB 4.31Å; D174-C177 VanDerWaalsContact OD2-CB 3.24Å; D174-C177 WeakPolarHBondContact OD2-CB 3.39Å; D174-C177 PolarHBondContact OD2-N 2.78Å; D174-C177 PolarHBondContact OD2-SG 3.03Å; C177-Q179 VanDerWaalsContact C-N 3.29Å; C177-Q179 HydrophobicContact CB-CB 4.49Å; C177-Q179 PolarHBondContact O-N 3.3Å |
| 178 | K | 87.8 | Confident | 91.9 | Very high | 111 Ų | 111 | 59 Ų | 59 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 34.3 | -177.3 | -46.6 | -177.7 | -176.7 | -168.4 | 0 | 113 | L140 D174 R176 L411 | L140-K178 HydrophobicContact CD2-CB 4.44Å; L140-K178 HydrophobicContact CD2-CD 3.47Å; L140-K178 VanDerWaalsContact CD2-CD 3.47Å; L140-K178 HydrophobicContact CD2-CG 3.69Å; D174-K178 VanDerWaalsContact O-CA 3.24Å; D174-K178 WeakPolarHBondContact O-CA 3.49Å; D174-K178 PolarHBondContact O-N 2.93Å; R176-K178 VanDerWaalsContact C-N 3.31Å; R176-K178 PolarHBondContact O-N 2.92Å; K178-L411 VanDerWaalsContact NZ-CD2 3.29Å |
| 179 | Q | 88.9 | Confident | 91.8 | Very high | 130 Ų | 130 | 57.9 Ų | 57.9 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.9 | -173.9 | -71.5 | 175.9 | 22 | 0 | 0 | 111.2 | W173 D174 C177 | W173-Q179 WeakPolarHBondContact CA-O 3.38Å; D174-Q179 PolarHBondContact N-O 2.87Å; D174-Q179 PolarHBondContact O-N 2.94Å; C177-Q179 VanDerWaalsContact C-N 3.29Å; C177-Q179 HydrophobicContact CB-CB 4.49Å; C177-Q179 PolarHBondContact O-N 3.3Å |
| 180 | N | 90.1 | Very high | 91.8 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 124.1 | 165.9 | -176.2 | -18.1 | 0 | 0 | 0 | 108 | I172 W173 T182 T183 | I172-N180 CarbonylContact O-C 3.57Å; I172-N180 WeakPolarHBondContact O-CA 3.48Å; I172-N180 PolarHBondContact O-OD1 3.38Å; W173-N180 HydrophobicContact CD2-CB 4.28Å; W173-N180 HydrophobicContact CE3-CB 4.2Å; W173-N180 HydrophobicContact CH2-CB 3.77Å; W173-N180 HydrophobicContact CZ2-CB 3.82Å; W173-N180 HydrophobicContact CZ3-CB 3.97Å; N180-T182 VanDerWaalsContact OD1-C 3.24Å; N180-T182 PolarHBondContact OD1-N 3.09Å; N180-T182 VanDerWaalsContact OD1-N 3.1Å; N180-T182 PolarHBondContact OD1-O 3.28Å; N180-T183 PolarHBondContact ND2-OG1 2.96Å; N180-T183 VanDerWaalsContact ND2-OG1 3.14Å |
| 181 | L | 89.4 | Confident | 91.7 | Very high | 72 Ų | 72 | 59.5 Ų | 59.5 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -55.6 | 174.3 | -65 | 178 | 0 | 0 | 0 | 110.3 | W160 I172 D174 | W160-L181 HydrophobicContact CD2-CD1 4.39Å; W160-L181 HydrophobicContact CG-CD1 4.43Å; W160-L181 HydrophobicContact CZ2-CD1 4.32Å; I172-L181 HydrophobicContact CB-CB 4.34Å; I172-L181 HydrophobicContact CG2-CB 4.48Å; I172-L181 HydrophobicContact CG2-CD1 4.07Å; I172-L181 PolarHBondContact O-N 2.95Å; D174-L181 HydrophobicContact CB-CD1 4.14Å; D174-L181 HydrophobicContact CB-CD2 4.06Å; D174-L181 HydrophobicContact CB-CG 4.07Å |
| 182 | T | 92 | Very high | 91.5 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 20% | 0.202 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.5 | -178.6 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | K171 I172 N180 F220 | K171-T182 WeakPolarHBondContact CA-O 3.46Å; I172-T182 VanDerWaalsContact CD1-OG1 3.29Å; I172-T182 WeakPolarHBondContact CD1-OG1 3.37Å; I172-T182 PolarHBondContact N-O 3.41Å; N180-T182 VanDerWaalsContact OD1-C 3.24Å; N180-T182 PolarHBondContact OD1-N 3.09Å; N180-T182 VanDerWaalsContact OD1-N 3.1Å; N180-T182 PolarHBondContact OD1-O 3.28Å; T182-F220 HydrophobicContact CG2-CB 3.72Å; T182-F220 HydrophobicContact CG2-CD1 3.98Å; T182-F220 HydrophobicContact CG2-CD2 4.06Å; T182-F220 HydrophobicContact CG2-CG 3.65Å |
| 183 | T | 93.9 | Very high | 91.4 | Very high | 65 Ų | 65 | 61.8 Ų | 61.8 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.2 | 174.2 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | K171 N180 | K171-T183 HydrophobicContact CD-CG2 4.24Å; K171-T183 VanDerWaalsContact CE-CG2 3.45Å; K171-T183 HydrophobicContact CG-CG2 3.76Å; N180-T183 PolarHBondContact ND2-OG1 2.96Å; N180-T183 VanDerWaalsContact ND2-OG1 3.14Å |
| 184 | F | 93.7 | Very high | 91.5 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 112.6 | 172.8 | -58.4 | -38.1 | 0 | 0 | 0 | 108.6 | S169 V170 I172 W215 L217 F220 | S169-F184 CarbonylContact C-O 3.57Å; S169-F184 WeakPolarHBondContact CA-O 3.5Å; S169-F184 VanDerWaalsContact CB-O 3.32Å; S169-F184 WeakPolarHBondContact CB-O 3.43Å; V170-F184 HydrophobicContact CB-CB 4.26Å; V170-F184 HydrophobicContact CB-CD2 4.23Å; V170-F184 HydrophobicContact CG1-CD2 4.39Å; V170-F184 PolarHBondContact N-O 3.27Å; V170-F184 PolarHBondContact O-N 2.93Å; I172-F184 HydrophobicContact CD1-CE2 3.87Å; I172-F184 HydrophobicContact CD1-CZ 3.9Å; I172-F184 HydrophobicContact CG1-CE2 4.28Å; F184-W215 HydrophobicContact CB-CD2 4.25Å; F184-W215 HydrophobicContact CB-CE3 3.89Å; F184-W215 HydrophobicContact CB-CH2 3.61Å; F184-W215 HydrophobicContact CB-CZ2 3.97Å; F184-W215 HydrophobicContact CB-CZ3 3.54Å; F184-W215 HydrophobicContact CD1-CD2 4.37Å; F184-W215 AromaticContact CD1-CE3 3.59Å; F184-W215 HydrophobicContact CD1-CE3 3.59Å; F184-W215 AromaticContact CD1-CZ3 3.75Å; F184-W215 HydrophobicContact CD1-CZ3 3.75Å; F184-W215 HydrophobicContact CD2-CB 4.2Å; F184-W215 AromaticContact CD2-CD2 3.45Å; F184-W215 HydrophobicContact CD2-CD2 3.45Å; F184-W215 VanDerWaalsContact CD2-CD2 3.45Å; F184-W215 AromaticContact CD2-CE2 3.98Å; F184-W215 AromaticContact CD2-CE3 3.54Å; F184-W215 HydrophobicContact CD2-CE3 3.54Å; F184-W215 AromaticContact CD2-CG 3.73Å; F184-W215 HydrophobicContact CD2-CG 3.73Å; F184-W215 HydrophobicContact CD2-CZ3 4.13Å; F184-W215 AromaticContact CE1-CE3 3.92Å; F184-W215 HydrophobicContact CE1-CE3 3.92Å; F184-W215 HydrophobicContact CE1-CZ3 4.47Å; F184-W215 HydrophobicContact CE2-CB 3.58Å; F184-W215 AromaticContact CE2-CD2 3.77Å; F184-W215 HydrophobicContact CE2-CD2 3.77Å; F184-W215 AromaticContact CE2-CE3 3.87Å; F184-W215 HydrophobicContact CE2-CE3 3.87Å; F184-W215 AromaticContact CE2-CG 3.64Å; F184-W215 HydrophobicContact CE2-CG 3.64Å; F184-W215 AromaticContact CG-CD2 3.79Å; F184-W215 HydrophobicContact CG-CD2 3.79Å; F184-W215 AromaticContact CG-CE3 3.39Å; F184-W215 HydrophobicContact CG-CE3 3.39Å; F184-W215 HydrophobicContact CG-CH2 4.1Å; F184-W215 HydrophobicContact CG-CZ2 4.43Å; F184-W215 AromaticContact CG-CZ3 3.56Å; F184-W215 HydrophobicContact CG-CZ3 3.56Å; F184-W215 HydrophobicContact CZ-CB 3.98Å; F184-W215 HydrophobicContact CZ-CD2 4.35Å; F184-W215 HydrophobicContact CZ-CE3 4.04Å; F184-W215 HydrophobicContact CZ-CG 4.34Å; F184-L217 HydrophobicContact CE2-CD2 4.47Å; F184-F220 HydrophobicContact CE1-CB 4.24Å; F184-F220 WeakPolarHBondContact CE1-O 3.46Å; F184-F220 HydrophobicContact CZ-CB 4.38Å; F184-F220 HydrophobicContact CZ-CD1 4.44Å |
| 185 | D | 93.4 | Very high | 91.5 | Very high | 123 Ų | 123 | 60.7 Ų | 60.7 | 66% | 0.658 | 31% | 0.307 | S | S | * | . | trans | -112.4 | 10.7 | -171 | 61.5 | -15.9 | 0 | 0 | 0 | 113.5 | ||||
| 186 | Q | 91.8 | Very high | 91.6 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | trans | -87.1 | -9.9 | -166 | -43 | 176.8 | -0.4 | 0 | 0 | 114.6 | R213 W215 | Q186-R213 VanDerWaalsContact CB-NH1 3.32Å; Q186-R213 VanDerWaalsContact O-CZ 3.28Å; Q186-R213 PolarHBondContact O-NH2 3.03Å; Q186-R213 VanDerWaalsContact O-NH2 3.08Å; Q186-W215 HydrophobicContact CB-CH2 4Å; Q186-W215 HydrophobicContact CG-CH2 3.98Å; Q186-W215 HydrophobicContact CG-CZ3 4.2Å | ||
| 187 | H | 93.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -72.3 | 143.3 | 173.7 | -92.9 | -60.1 | 0 | 0 | 0 | 110.1 | C168 S205 S207 D209 | C168-H187 WeakPolarHBondContact CB-O 3.27Å; C168-H187 WeakPolarHBondContact O-CB 3.36Å; H187-S205 PolarHBondContact CD2-OG 3.25Å; H187-S205 PolarHBondContact NE2-OG 3.19Å; H187-S207 VanDerWaalsContact CE1-CB 3.41Å; H187-S207 WeakPolarHBondContact CE1-CB 3.19Å; H187-S207 VanDerWaalsContact ND1-CB 3.28Å; H187-S207 WeakPolarHBondContact ND1-CB 3.35Å; H187-D209 WeakPolarHBondContact CA-OD2 3.12Å; H187-D209 IonicContact CE1-OD1 3.94Å; H187-D209 IonicContact CE1-OD2 3.86Å; H187-D209 IonicContact CG-OD2 3.04Å; H187-D209 IonicContact ND1-OD1 3.89Å; H187-D209 PolarHBondContact ND1-OD1 2.91Å; H187-D209 IonicContact ND1-OD2 3.97Å; H187-D209 PolarHBondContact ND1-OD2 3.32Å | ||
| 188 | L | 93.9 | Very high | 91.7 | Very high | 153 Ų | 153 | 51.3 Ų | 51.3 | 80% | 0.801 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -94.9 | 2.7 | -179.2 | -61.1 | 178.7 | 0 | 0 | 0 | 112.9 | D209 | L188-D209 HydrophobicContact CB-CB 3.99Å; L188-D209 PolarHBondContact N-OD2 3.34Å |
| 189 | G | 93.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 48 Ų | 48 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -153.9 | 167.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C168 V191 S207 | C168-G189 VanDerWaalsContact SG-CA 3.51Å; G189-V191 PolarHBondContact O-N 3.4Å; G189-S207 PolarHBondContact O-OG 3.19Å |
| 190 | P | 93.5 | Very high | 91.2 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 27% | 0.273 | 25% | 0.25 | S | S | . | . | trans | -47.5 | 127.9 | 178.1 | -35.2 | 38.7 | 0 | 0 | 0 | 115.3 | D166 Q192 S207 A208 | D166-P190 HydrophobicContact CB-CB 4.39Å; D166-P190 HydrophobicContact CB-CG 4.39Å; D166-P190 WeakPolarHBondContact OD1-CB 3.22Å; P190-Q192 PolarHBondContact O-N 3.18Å; P190-S207 WeakPolarHBondContact O-CA 3.35Å; P190-S207 PolarHBondContact O-OG 3.31Å; P190-A208 HydrophobicContact CB-CB 4.42Å; P190-A208 PolarHBondContact O-N 3.17Å | ||
| 191 | V | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 114.1 | 178.1 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | C151 S165 V170 G189 L194 A206 | C151-V191 PolarHBondContact SG-O 3.13Å; C151-V191 VanDerWaalsContact SG-O 3.4Å; S165-V191 PolarHBondContact O-N 3.47Å; S165-V191 VanDerWaalsContact O-N 3.09Å; V170-V191 HydrophobicContact CG2-CB 4.44Å; V170-V191 HydrophobicContact CG2-CG1 3.96Å; V170-V191 HydrophobicContact CG2-CG2 3.9Å; G189-V191 PolarHBondContact O-N 3.4Å; V191-L194 HydrophobicContact CG1-CD2 4.32Å; V191-A206 CarbonylContact C-O 3.59Å |
| 192 | Q | 91.3 | Very high | 91.3 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -35.1 | -171.3 | -62.7 | -64.8 | -75.8 | 0 | 0 | 113.3 | P190 A206 I233 | P190-Q192 PolarHBondContact O-N 3.18Å; Q192-A206 PolarHBondContact N-O 2.95Å; Q192-I233 WeakPolarHBondContact CB-O 3.44Å; Q192-I233 WeakPolarHBondContact CG-O 3.14Å |
| 193 | H | 91.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 149.7 | -176.7 | -160.4 | -78.3 | 0 | 0 | 0 | 110.8 | D195 A206 I236 R283 | H193-D195 IonicContact CE1-OD1 3.61Å; H193-A206 HydrophobicContact CB-CB 4.37Å; H193-A206 PolarHBondContact N-O 2.82Å; H193-A206 PolarHBondContact O-N 3.25Å; H193-I236 HydrophobicContact CB-CG1 4.09Å; H193-I236 PolarHBondContact CE1-O 2.72Å; H193-I236 PolarHBondContact ND1-O 3.03Å; H193-R283 PolarHBondContact NE2-NH2 3.3Å |
| 194 | L | 93.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.1 | 172.7 | -66.8 | 167.1 | 0 | 0 | 0 | 107.8 | E153 F162 V170 V191 L203 A204 | E153-L194 HydrophobicContact CB-CB 4.27Å; F162-L194 HydrophobicContact CB-CD1 3.84Å; V170-L194 HydrophobicContact CG1-CD1 4.29Å; V170-L194 HydrophobicContact CG1-CD2 3.91Å; V170-L194 HydrophobicContact CG2-CD2 4.06Å; V191-L194 HydrophobicContact CG1-CD2 4.32Å; L194-L203 HydrophobicContact CD2-CD2 4.2Å; L194-L203 HydrophobicContact CD2-CG 4.45Å; L194-A204 WeakPolarHBondContact CA-O 3.29Å |
| 195 | D | 92.7 | Very high | 91.5 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 138.8 | 171.9 | -146.7 | 77.7 | 0 | 0 | 0 | 108.6 | E153 H193 A204 I236 A237 F238 R283 | E153-D195 WeakPolarHBondContact OE1-CA 3.46Å; E153-D195 WeakPolarHBondContact OE2-CA 3.18Å; E153-D195 PolarHBondContact OE2-N 2.97Å; H193-D195 IonicContact CE1-OD1 3.61Å; D195-A204 PolarHBondContact N-O 2.87Å; D195-A204 VanDerWaalsContact N-O 3.1Å; D195-A204 PolarHBondContact O-N 2.96Å; D195-I236 HydrophobicContact CB-CD1 4.08Å; D195-I236 HydrophobicContact CB-CG1 4.12Å; D195-A237 WeakPolarHBondContact OD2-CA 3.32Å; D195-F238 HydrophobicContact CB-CD2 4.2Å; D195-F238 WeakPolarHBondContact O-CE2 3.43Å; D195-F238 PolarHBondContact OD2-N 3.5Å; D195-R283 IonicContact OD1-NH1 3.48Å |
| 196 | F | 90.9 | Very high | 91.4 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 10% | 0.096 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137.2 | -175.9 | -170.2 | -74.2 | 0 | 0 | 0 | 112.5 | E153 P156 F162 E200 L201 L203 L217 | E153-F196 PolarHBondContact OE1-N 3.11Å; E153-F196 PolarHBondContact OE2-N 3.21Å; E153-F196 VanDerWaalsContact OE2-N 3.15Å; P156-F196 HydrophobicContact CG-CD1 3.32Å; P156-F196 HydrophobicContact CG-CE1 3.5Å; P156-F196 VanDerWaalsContact CG-CE1 3.5Å; P156-F196 HydrophobicContact CG-CG 4.02Å; P156-F196 HydrophobicContact CG-CZ 4.26Å; F162-F196 AromaticContact CE2-CD2 3.6Å; F162-F196 HydrophobicContact CE2-CD2 3.6Å; F162-F196 AromaticContact CE2-CE2 3.96Å; F162-F196 HydrophobicContact CE2-CE2 3.96Å; F162-F196 AromaticContact CZ-CD2 3.89Å; F162-F196 HydrophobicContact CZ-CD2 3.89Å; F162-F196 AromaticContact CZ-CE2 3.86Å; F162-F196 HydrophobicContact CZ-CE2 3.86Å; F196-E200 VanDerWaalsContact CE1-O 3.3Å; F196-E200 WeakPolarHBondContact CE1-O 3.29Å; F196-L201 HydrophobicContact CZ-CD2 4.4Å; F196-L203 HydrophobicContact CB-CD1 4.46Å; F196-L203 HydrophobicContact CD2-CD1 4.33Å; F196-L217 HydrophobicContact CD2-CD1 4.15Å; F196-L217 HydrophobicContact CE2-CD1 3.4Å; F196-L217 HydrophobicContact CZ-CD1 4.11Å |
| 197 | H | 89.7 | Confident | 91.5 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.023 | 15% | 0.146 | C | C | . | . | trans | -70.2 | 125.9 | -177.9 | -172.4 | -110.1 | 0 | 0 | 0 | 112.8 | G199 E200 L202 F238 G242 W258 | H197-G199 VanDerWaalsContact C-N 3.25Å; H197-G199 PolarHBondContact O-N 3.24Å; H197-G199 VanDerWaalsContact O-N 3.08Å; H197-E200 IonicContact CE1-OE2 2.72Å; H197-E200 VanDerWaalsContact ND1-CB 3.27Å; H197-E200 WeakPolarHBondContact ND1-CB 3.33Å; H197-E200 WeakPolarHBondContact ND1-CG 3.4Å; H197-E200 PolarHBondContact ND1-N 3.03Å; H197-E200 VanDerWaalsContact ND1-N 3.19Å; H197-E200 IonicContact ND1-OE2 3.74Å; H197-L202 HydrophobicContact CB-CB 3.84Å; H197-L202 HydrophobicContact CB-CD2 4.46Å; H197-L202 VanDerWaalsContact CB-O 3.3Å; H197-L202 WeakPolarHBondContact CB-O 3.39Å; H197-L202 PolarHBondContact N-O 2.85Å; H197-F238 HydrophobicContact CB-CD2 4.33Å; H197-F238 HydrophobicContact CB-CE1 4.28Å; H197-F238 HydrophobicContact CB-CE2 3.95Å; H197-F238 HydrophobicContact CB-CZ 3.92Å; H197-F238 AromaticContact CD2-CD1 3.6Å; H197-F238 AromaticContact CD2-CE1 3.62Å; H197-G242 WeakPolarHBondContact NE2-CA 3.4Å; H197-G242 PolarHBondContact NE2-O 3.33Å; H197-W258 AromaticContact CD2-CH2 3.72Å; H197-W258 AromaticContact CD2-CZ2 3.57Å; H197-W258 AromaticContact CE1-CZ2 3.94Å; H197-W258 AromaticContact NE2-CH2 3.55Å; H197-W258 AromaticContact NE2-CZ2 3.2Å; H197-W258 WeakPolarHBondContact NE2-CZ2 3.26Å | ||
| 198 | P | 85.4 | Confident | 91.5 | Very high | 64 Ų | 64 | 26.4 Ų | 26.4 | 42% | 0.416 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.6 | -168.6 | 23.9 | -35.1 | 0 | 0 | 0 | 115.6 | D240 | P198-D240 WeakPolarHBondContact CG-O 3.42Š|
| 199 | G | 81.4 | Confident | 91.4 | Very high | 42 Ų | 42 | 20.6 Ų | 20.6 | 43% | 0.433 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -8.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | H197 P392 | H197-G199 VanDerWaalsContact C-N 3.25Å; H197-G199 PolarHBondContact O-N 3.24Å; H197-G199 VanDerWaalsContact O-N 3.08Å; G199-P392 WeakPolarHBondContact O-CD 3.44Å |
| 200 | E | 84.2 | Confident | 91.4 | Very high | 62 Ų | 62 | 23.8 Ų | 23.8 | 29% | 0.29 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -135.9 | 163.4 | -172.1 | -56.7 | 174.8 | 167 | 0 | 0 | 111.2 | F196 H197 L202 | F196-E200 VanDerWaalsContact CE1-O 3.3Å; F196-E200 WeakPolarHBondContact CE1-O 3.29Å; H197-E200 IonicContact CE1-OE2 2.72Å; H197-E200 VanDerWaalsContact ND1-CB 3.27Å; H197-E200 WeakPolarHBondContact ND1-CB 3.33Å; H197-E200 WeakPolarHBondContact ND1-CG 3.4Å; H197-E200 PolarHBondContact ND1-N 3.03Å; H197-E200 VanDerWaalsContact ND1-N 3.19Å; H197-E200 IonicContact ND1-OE2 3.74Å; E200-L202 HydrophobicContact CB-CB 4.36Å; E200-L202 PolarHBondContact O-N 2.53Å |
| 201 | L | 89.8 | Confident | 91.3 | Very high | 32 Ų | 32 | 22 Ų | 22 | 17% | 0.168 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -80.2 | 58.6 | 173.8 | -78.5 | 164.9 | 0 | 0 | 0 | 110.7 | W160 F196 L217 E218 | W160-L201 HydrophobicContact CZ3-CD2 4.14Å; F196-L201 HydrophobicContact CZ-CD2 4.4Å; L201-L217 HydrophobicContact CB-CB 4.17Å; L201-L217 HydrophobicContact CD2-CB 4.43Å; L201-L217 WeakPolarHBondContact O-CB 3.47Å; L201-L217 WeakPolarHBondContact O-CG 3.37Å; L201-L217 PolarHBondContact O-N 3.39Å; L201-E218 HydrophobicContact CB-CG 3.95Å; L201-E218 HydrophobicContact CD1-CG 3.47Å; L201-E218 VanDerWaalsContact CD1-CG 3.47Å; L201-E218 HydrophobicContact CG-CG 4.35Å |
| 202 | L | 91.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.3 | -176.2 | -170 | 79.2 | 0 | 0 | 0 | 110.7 | H197 E200 F214 W215 V223 F238 W258 | H197-L202 HydrophobicContact CB-CB 3.84Å; H197-L202 HydrophobicContact CB-CD2 4.46Å; H197-L202 VanDerWaalsContact CB-O 3.3Å; H197-L202 WeakPolarHBondContact CB-O 3.39Å; H197-L202 PolarHBondContact N-O 2.85Å; E200-L202 HydrophobicContact CB-CB 4.36Å; E200-L202 PolarHBondContact O-N 2.53Å; L202-F214 HydrophobicContact CD1-CB 4.35Å; L202-F214 HydrophobicContact CD2-CD1 4.24Å; L202-W215 WeakPolarHBondContact CA-O 3.34Å; L202-V223 HydrophobicContact CD1-CG2 3.76Å; L202-F238 HydrophobicContact CD2-CZ 4.29Å; L202-W258 HydrophobicContact CD2-CD2 4.05Å; L202-W258 HydrophobicContact CD2-CG 3.83Å |
| 203 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.6 | 175.1 | -178.1 | 75.7 | 0 | 0 | 0 | 109.8 | F162 V170 L194 F196 F214 W215 L217 | F162-L203 HydrophobicContact CB-CD2 4.36Å; F162-L203 HydrophobicContact CD1-CD1 4.25Å; F162-L203 HydrophobicContact CD1-CD2 3.53Å; F162-L203 HydrophobicContact CD1-CG 4.48Å; F162-L203 HydrophobicContact CD2-CD1 3.99Å; F162-L203 HydrophobicContact CE1-CD1 4.48Å; F162-L203 HydrophobicContact CE1-CD2 3.96Å; F162-L203 HydrophobicContact CE2-CD1 4.25Å; F162-L203 HydrophobicContact CG-CD1 4Å; F162-L203 HydrophobicContact CG-CD2 3.96Å; F162-L203 HydrophobicContact CZ-CD1 4.49Å; V170-L203 HydrophobicContact CG1-CD2 4.21Å; L194-L203 HydrophobicContact CD2-CD2 4.2Å; L194-L203 HydrophobicContact CD2-CG 4.45Å; F196-L203 HydrophobicContact CB-CD1 4.46Å; F196-L203 HydrophobicContact CD2-CD1 4.33Å; L203-F214 WeakPolarHBondContact O-CA 3.45Å; L203-W215 HydrophobicContact CB-CB 4.34Å; L203-W215 PolarHBondContact N-O 3.35Å; L203-W215 PolarHBondContact O-N 3.22Å; L203-L217 HydrophobicContact CB-CD1 4.23Å; L203-L217 HydrophobicContact CB-CD2 4.17Å; L203-L217 HydrophobicContact CB-CG 4.43Å |
| 204 | A | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L194 D195 V212 R213 F214 I236 F238 L245 | L194-A204 WeakPolarHBondContact CA-O 3.29Å; D195-A204 PolarHBondContact N-O 2.87Å; D195-A204 VanDerWaalsContact N-O 3.1Å; D195-A204 PolarHBondContact O-N 2.96Å; A204-V212 HydrophobicContact CB-CG1 4.27Å; A204-R213 CarbonylContact C-O 3.52Å; A204-R213 WeakPolarHBondContact CA-O 3.47Å; A204-F214 HydrophobicContact CB-CD1 4.21Å; A204-F214 HydrophobicContact CB-CE1 4.23Å; A204-I236 HydrophobicContact CB-CD1 3.69Å; A204-I236 VanDerWaalsContact O-CD1 3.31Å; A204-I236 WeakPolarHBondContact O-CD1 2.98Å; A204-F238 HydrophobicContact CB-CE2 3.67Å; A204-F238 HydrophobicContact CB-CZ 3.71Å; A204-L245 HydrophobicContact CB-CD1 4.07Å; A204-L245 HydrophobicContact CB-CD2 3.82Å |
| 205 | S | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.5 | 172.7 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | H187 V212 R213 W215 | H187-S205 PolarHBondContact CD2-OG 3.25Å; H187-S205 PolarHBondContact NE2-OG 3.19Å; S205-V212 CarbonylContact O-C 3.59Å; S205-V212 VanDerWaalsContact O-CA 3.28Å; S205-V212 WeakPolarHBondContact O-CA 3.43Å; S205-R213 PolarHBondContact N-O 2.98Å; S205-R213 PolarHBondContact O-N 2.81Å; S205-W215 PolarHBondContact OG-NE1 2.77Å |
| 206 | A | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V191 Q192 H193 I233 I236 | V191-A206 CarbonylContact C-O 3.59Å; Q192-A206 PolarHBondContact N-O 2.95Å; H193-A206 HydrophobicContact CB-CB 4.37Å; H193-A206 PolarHBondContact N-O 2.82Å; H193-A206 PolarHBondContact O-N 3.25Å; A206-I233 HydrophobicContact CB-CB 4.11Å; A206-I233 HydrophobicContact CB-CG2 3.67Å; A206-I236 HydrophobicContact CB-CB 4.46Å; A206-I236 HydrophobicContact CB-CD1 4.06Å; A206-I236 HydrophobicContact CB-CG1 3.88Å; A206-I236 HydrophobicContact CB-CG2 3.86Å |
| 207 | S | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 157.8 | -177.3 | 174.7 | 0 | 0 | 0 | 0 | 113.8 | H187 G189 P190 D209 K210 T211 I233 | H187-S207 VanDerWaalsContact CE1-CB 3.41Å; H187-S207 WeakPolarHBondContact CE1-CB 3.19Å; H187-S207 VanDerWaalsContact ND1-CB 3.28Å; H187-S207 WeakPolarHBondContact ND1-CB 3.35Å; G189-S207 PolarHBondContact O-OG 3.19Å; P190-S207 WeakPolarHBondContact O-CA 3.35Å; P190-S207 PolarHBondContact O-OG 3.31Å; S207-D209 WeakPolarHBondContact CB-OD1 3.12Å; S207-D209 PolarHBondContact O-N 3.44Å; S207-D209 PolarHBondContact OG-N 2.91Å; S207-D209 PolarHBondContact OG-OD1 2.58Å; S207-K210 PolarHBondContact O-N 3.47Å; S207-K210 VanDerWaalsContact O-N 3.07Å; S207-T211 PolarHBondContact N-O 2.9Å; S207-I233 PolarHBondContact O-N 3.08Å |
| 208 | A | 92.2 | Very high | 91.4 | Very high | 27 Ų | 27 | 21.4 Ų | 21.4 | 22% | 0.223 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P190 K210 D232 | P190-A208 HydrophobicContact CB-CB 4.42Å; P190-A208 PolarHBondContact O-N 3.17Å; A208-K210 PolarHBondContact O-N 3.48Å; A208-D232 HydrophobicContact CB-CB 4.32Å |
| 209 | D | 93 | Very high | 91.5 | Very high | 30 Ų | 30 | 21.8 Ų | 21.8 | 16% | 0.16 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -0.4 | 162.9 | 71.2 | 19 | 0 | 0 | 0 | 113.8 | H187 L188 S207 T211 | H187-D209 WeakPolarHBondContact CA-OD2 3.12Å; H187-D209 IonicContact CE1-OD1 3.94Å; H187-D209 IonicContact CE1-OD2 3.86Å; H187-D209 IonicContact CG-OD2 3.04Å; H187-D209 IonicContact ND1-OD1 3.89Å; H187-D209 PolarHBondContact ND1-OD1 2.91Å; H187-D209 IonicContact ND1-OD2 3.97Å; H187-D209 PolarHBondContact ND1-OD2 3.32Å; L188-D209 HydrophobicContact CB-CB 3.99Å; L188-D209 PolarHBondContact N-OD2 3.34Å; S207-D209 WeakPolarHBondContact CB-OD1 3.12Å; S207-D209 PolarHBondContact O-N 3.44Å; S207-D209 PolarHBondContact OG-N 2.91Å; S207-D209 PolarHBondContact OG-OD1 2.58Å; D209-T211 VanDerWaalsContact C-N 3.29Å; D209-T211 PolarHBondContact O-N 3.44Å; D209-T211 WeakPolarHBondContact OD1-CB 3.45Å; D209-T211 PolarHBondContact OD1-N 2.88Å; D209-T211 PolarHBondContact OD1-OG1 3.49Å |
| 210 | K | 92.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 22.8 Ų | 22.8 | 32% | 0.322 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 73.1 | 17.9 | 175.1 | -39.2 | -179.9 | -176.4 | -175.4 | 0 | 113.8 | S207 A208 C228 D229 P230 | S207-K210 PolarHBondContact O-N 3.47Å; S207-K210 VanDerWaalsContact O-N 3.07Å; A208-K210 PolarHBondContact O-N 3.48Å; K210-C228 WeakPolarHBondContact O-CA 3.37Å; K210-D229 VanDerWaalsContact CB-O 3.3Å; K210-D229 WeakPolarHBondContact CB-O 3.5Å; K210-D229 WeakPolarHBondContact CD-O 3.31Å; K210-D229 PolarHBondContact O-N 2.79Å; K210-P230 PolarHBondContact NZ-O 2.93Å |
| 211 | T | 92.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | -115.5 | 154.4 | 176.5 | 75 | 0 | 0 | 0 | 0 | 111.5 | S207 D209 Q225 | S207-T211 PolarHBondContact N-O 2.9Å; D209-T211 VanDerWaalsContact C-N 3.29Å; D209-T211 PolarHBondContact O-N 3.44Å; D209-T211 WeakPolarHBondContact OD1-CB 3.45Å; D209-T211 PolarHBondContact OD1-N 2.88Å; D209-T211 PolarHBondContact OD1-OG1 3.49Å; T211-Q225 HydrophobicContact CG2-CG 4.19Å | ||
| 212 | V | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.2 | 158.7 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | A204 S205 F214 Q225 S226 I233 I236 L245 L256 | A204-V212 HydrophobicContact CB-CG1 4.27Å; S205-V212 CarbonylContact O-C 3.59Å; S205-V212 VanDerWaalsContact O-CA 3.28Å; S205-V212 WeakPolarHBondContact O-CA 3.43Å; V212-F214 HydrophobicContact CG1-CE1 4.5Å; V212-F214 HydrophobicContact CG1-CE2 4.38Å; V212-F214 HydrophobicContact CG1-CZ 4.22Å; V212-Q225 CarbonylContact O-C 3.58Å; V212-Q225 VanDerWaalsContact O-CA 3.29Å; V212-Q225 WeakPolarHBondContact O-CA 3.47Å; V212-S226 PolarHBondContact N-OG 2.96Å; V212-S226 PolarHBondContact O-N 3.08Å; V212-I233 HydrophobicContact CG2-CD1 3.64Å; V212-I233 HydrophobicContact CG2-CG2 4.5Å; V212-I236 HydrophobicContact CG2-CG2 4.02Å; V212-L245 HydrophobicContact CG1-CD2 3.65Å; V212-L256 HydrophobicContact CB-CD1 4.13Å; V212-L256 HydrophobicContact CG2-CD1 3.73Å |
| 213 | R | 94.5 | Very high | 92 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 147.4 | 169 | -73.4 | 178.2 | 177.8 | -104.6 | -2.2 | 111.2 | Q186 A204 S205 W215 G224 Q225 | Q186-R213 VanDerWaalsContact CB-NH1 3.32Å; Q186-R213 VanDerWaalsContact O-CZ 3.28Å; Q186-R213 PolarHBondContact O-NH2 3.03Å; Q186-R213 VanDerWaalsContact O-NH2 3.08Å; A204-R213 CarbonylContact C-O 3.52Å; A204-R213 WeakPolarHBondContact CA-O 3.47Å; S205-R213 PolarHBondContact N-O 2.98Å; S205-R213 PolarHBondContact O-N 2.81Å; R213-W215 HydrophobicContact CB-CH2 4.49Å; R213-W215 HydrophobicContact CB-CZ2 3.63Å; R213-W215 HydrophobicContact CG-CZ2 4.19Å; R213-G224 WeakPolarHBondContact CA-O 3.31Å; R213-Q225 HydrophobicContact CG-CB 4.18Å; R213-Q225 HydrophobicContact CG-CG 3.83Å |
| 214 | F | 94.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.1 | 179 | -63.5 | -80.9 | 0 | 0 | 0 | 109.1 | L202 L203 A204 V212 C222 V223 G224 F238 L245 W258 | L202-F214 HydrophobicContact CD1-CB 4.35Å; L202-F214 HydrophobicContact CD2-CD1 4.24Å; L203-F214 WeakPolarHBondContact O-CA 3.45Å; A204-F214 HydrophobicContact CB-CD1 4.21Å; A204-F214 HydrophobicContact CB-CE1 4.23Å; V212-F214 HydrophobicContact CG1-CE1 4.5Å; V212-F214 HydrophobicContact CG1-CE2 4.38Å; V212-F214 HydrophobicContact CG1-CZ 4.22Å; F214-C222 CarbonylContact O-C 3.59Å; F214-C222 WeakPolarHBondContact O-CA 3.21Å; F214-V223 HydrophobicContact CB-CG2 4.03Å; F214-V223 WeakPolarHBondContact O-CG2 3.36Å; F214-V223 PolarHBondContact O-N 3.19Å; F214-G224 PolarHBondContact N-O 3.43Å; F214-G224 PolarHBondContact O-N 2.87Å; F214-F238 HydrophobicContact CE1-CE1 4.46Å; F214-F238 HydrophobicContact CE1-CZ 4.41Å; F214-L245 HydrophobicContact CE1-CB 4.48Å; F214-L245 HydrophobicContact CE1-CD2 3.78Å; F214-L245 HydrophobicContact CZ-CD2 3.88Å; F214-W258 HydrophobicContact CD1-CB 3.86Å; F214-W258 HydrophobicContact CD1-CG 4.42Å; F214-W258 HydrophobicContact CD2-CB 4.09Å; F214-W258 HydrophobicContact CE1-CB 3.83Å; F214-W258 HydrophobicContact CE1-CD2 4.42Å; F214-W258 HydrophobicContact CE1-CE3 4.06Å; F214-W258 HydrophobicContact CE1-CG 4.37Å; F214-W258 HydrophobicContact CE2-CB 4.06Å; F214-W258 HydrophobicContact CG-CB 3.98Å; F214-W258 HydrophobicContact CZ-CB 3.93Å; F214-W258 HydrophobicContact CZ-CE3 4.47Å |
| 215 | W | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121.8 | -175.3 | -47.4 | 92.3 | 0 | 0 | 0 | 110.1 | F184 Q186 L202 L203 S205 R213 L217 E221 C222 | F184-W215 HydrophobicContact CB-CD2 4.25Å; F184-W215 HydrophobicContact CB-CE3 3.89Å; F184-W215 HydrophobicContact CB-CH2 3.61Å; F184-W215 HydrophobicContact CB-CZ2 3.97Å; F184-W215 HydrophobicContact CB-CZ3 3.54Å; F184-W215 HydrophobicContact CD1-CD2 4.37Å; F184-W215 AromaticContact CD1-CE3 3.59Å; F184-W215 HydrophobicContact CD1-CE3 3.59Å; F184-W215 AromaticContact CD1-CZ3 3.75Å; F184-W215 HydrophobicContact CD1-CZ3 3.75Å; F184-W215 HydrophobicContact CD2-CB 4.2Å; F184-W215 AromaticContact CD2-CD2 3.45Å; F184-W215 HydrophobicContact CD2-CD2 3.45Å; F184-W215 VanDerWaalsContact CD2-CD2 3.45Å; F184-W215 AromaticContact CD2-CE2 3.98Å; F184-W215 AromaticContact CD2-CE3 3.54Å; F184-W215 HydrophobicContact CD2-CE3 3.54Å; F184-W215 AromaticContact CD2-CG 3.73Å; F184-W215 HydrophobicContact CD2-CG 3.73Å; F184-W215 HydrophobicContact CD2-CZ3 4.13Å; F184-W215 AromaticContact CE1-CE3 3.92Å; F184-W215 HydrophobicContact CE1-CE3 3.92Å; F184-W215 HydrophobicContact CE1-CZ3 4.47Å; F184-W215 HydrophobicContact CE2-CB 3.58Å; F184-W215 AromaticContact CE2-CD2 3.77Å; F184-W215 HydrophobicContact CE2-CD2 3.77Å; F184-W215 AromaticContact CE2-CE3 3.87Å; F184-W215 HydrophobicContact CE2-CE3 3.87Å; F184-W215 AromaticContact CE2-CG 3.64Å; F184-W215 HydrophobicContact CE2-CG 3.64Å; F184-W215 AromaticContact CG-CD2 3.79Å; F184-W215 HydrophobicContact CG-CD2 3.79Å; F184-W215 AromaticContact CG-CE3 3.39Å; F184-W215 HydrophobicContact CG-CE3 3.39Å; F184-W215 HydrophobicContact CG-CH2 4.1Å; F184-W215 HydrophobicContact CG-CZ2 4.43Å; F184-W215 AromaticContact CG-CZ3 3.56Å; F184-W215 HydrophobicContact CG-CZ3 3.56Å; F184-W215 HydrophobicContact CZ-CB 3.98Å; F184-W215 HydrophobicContact CZ-CD2 4.35Å; F184-W215 HydrophobicContact CZ-CE3 4.04Å; F184-W215 HydrophobicContact CZ-CG 4.34Å; Q186-W215 HydrophobicContact CB-CH2 4Å; Q186-W215 HydrophobicContact CG-CH2 3.98Å; Q186-W215 HydrophobicContact CG-CZ3 4.2Å; L202-W215 WeakPolarHBondContact CA-O 3.34Å; L203-W215 HydrophobicContact CB-CB 4.34Å; L203-W215 PolarHBondContact N-O 3.35Å; L203-W215 PolarHBondContact O-N 3.22Å; S205-W215 PolarHBondContact OG-NE1 2.77Å; R213-W215 HydrophobicContact CB-CH2 4.49Å; R213-W215 HydrophobicContact CB-CZ2 3.63Å; R213-W215 HydrophobicContact CG-CZ2 4.19Å; W215-L217 HydrophobicContact CB-CD2 4.5Å; W215-E221 WeakPolarHBondContact CA-O 3.2Å; W215-C222 HydrophobicContact CE3-CB 3.76Å; W215-C222 HydrophobicContact CH2-CB 4.22Å; W215-C222 HydrophobicContact CZ3-CB 3.52Å |
| 216 | D | 91.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.5 | 171.9 | -176.2 | -31.6 | 0 | 0 | 0 | 108.8 | E218 T219 F220 E221 V223 R389 | D216-E218 WeakPolarHBondContact OD1-CA 3.17Å; D216-E218 WeakPolarHBondContact OD1-CB 3.18Å; D216-E218 PolarHBondContact OD1-N 3.15Å; D216-T219 WeakPolarHBondContact CB-OG1 3.46Å; D216-T219 PolarHBondContact OD1-N 3.26Å; D216-T219 VanDerWaalsContact OD1-N 3.15Å; D216-F220 WeakPolarHBondContact O-CA 3.28Å; D216-F220 PolarHBondContact O-N 2.87Å; D216-E221 PolarHBondContact N-O 3.47Å; D216-E221 PolarHBondContact O-N 2.97Å; D216-V223 HydrophobicContact CB-CG1 3.59Å; D216-V223 HydrophobicContact CB-CG2 4.25Å; D216-R389 VanDerWaalsContact CG-NH1 3.28Å; D216-R389 IonicContact OD1-NH1 2.78Å; D216-R389 PolarHBondContact OD1-NH1 2.89Å; D216-R389 IonicContact OD2-CZ 3.22Å; D216-R389 IonicContact OD2-NH1 2.74Å; D216-R389 PolarHBondContact OD2-NH1 3.34Å; D216-R389 IonicContact OD2-NH2 3.65Å; D216-R389 PolarHBondContact OD2-NH2 2.82Å |
| 217 | L | 89.9 | Confident | 91.1 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 0.7 | -175.6 | -48.5 | 175.3 | 0 | 0 | 0 | 113 | W160 F162 I172 F184 F196 L201 L203 W215 F220 | W160-L217 HydrophobicContact CZ3-CB 3.99Å; W160-L217 HydrophobicContact CZ3-CD1 4.28Å; F162-L217 HydrophobicContact CE1-CD1 3.98Å; F162-L217 HydrophobicContact CE1-CD2 4.07Å; F162-L217 HydrophobicContact CZ-CD1 3.69Å; I172-L217 HydrophobicContact CD1-CD2 3.76Å; F184-L217 HydrophobicContact CE2-CD2 4.47Å; F196-L217 HydrophobicContact CD2-CD1 4.15Å; F196-L217 HydrophobicContact CE2-CD1 3.4Å; F196-L217 HydrophobicContact CZ-CD1 4.11Å; L201-L217 HydrophobicContact CB-CB 4.17Å; L201-L217 HydrophobicContact CD2-CB 4.43Å; L201-L217 WeakPolarHBondContact O-CB 3.47Å; L201-L217 WeakPolarHBondContact O-CG 3.37Å; L201-L217 PolarHBondContact O-N 3.39Å; L203-L217 HydrophobicContact CB-CD1 4.23Å; L203-L217 HydrophobicContact CB-CD2 4.17Å; L203-L217 HydrophobicContact CB-CG 4.43Å; W215-L217 HydrophobicContact CB-CD2 4.5Å; L217-F220 HydrophobicContact CB-CE1 4.46Å |
| 218 | E | 88.1 | Confident | 90.7 | Very high | 74 Ų | 74 | 43 Ų | 43 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -37.3 | 163.5 | -66.6 | -179.6 | 134.8 | 0 | 0 | 110.3 | L201 D216 R389 T390 | L201-E218 HydrophobicContact CB-CG 3.95Å; L201-E218 HydrophobicContact CD1-CG 3.47Å; L201-E218 VanDerWaalsContact CD1-CG 3.47Å; L201-E218 HydrophobicContact CG-CG 4.35Å; D216-E218 WeakPolarHBondContact OD1-CA 3.17Å; D216-E218 WeakPolarHBondContact OD1-CB 3.18Å; D216-E218 PolarHBondContact OD1-N 3.15Å; E218-R389 WeakPolarHBondContact OE2-CD 3.2Å; E218-R389 VanDerWaalsContact OE2-CG 3.24Å; E218-R389 WeakPolarHBondContact OE2-CG 3Å; E218-R389 IonicContact OE2-CZ 3.7Å; E218-R389 IonicContact OE2-NE 3.92Å; E218-R389 IonicContact OE2-NH1 2.73Å; E218-R389 PolarHBondContact OE2-NH1 2.87Å; E218-T390 PolarHBondContact OE1-OG1 2.68Å |
| 219 | T | 87.8 | Confident | 90.4 | Very high | 72 Ų | 72 | 42 Ų | 42 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -24.7 | 176.8 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | D216 E221 | D216-T219 WeakPolarHBondContact CB-OG1 3.46Å; D216-T219 PolarHBondContact OD1-N 3.26Å; D216-T219 VanDerWaalsContact OD1-N 3.15Å; T219-E221 PolarHBondContact OG1-N 2.89Å |
| 220 | F | 88.7 | Confident | 89.9 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 28% | 0.281 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 44.8 | -164.9 | -55 | -71.8 | 0 | 0 | 0 | 113.5 | W160 I172 T182 F184 D216 L217 | W160-F220 HydrophobicContact CH2-CE1 4.47Å; W160-F220 HydrophobicContact CH2-CZ 4.19Å; W160-F220 HydrophobicContact CZ2-CZ 4.46Å; I172-F220 HydrophobicContact CD1-CD1 3.58Å; I172-F220 HydrophobicContact CD1-CE1 3.64Å; T182-F220 HydrophobicContact CG2-CB 3.72Å; T182-F220 HydrophobicContact CG2-CD1 3.98Å; T182-F220 HydrophobicContact CG2-CD2 4.06Å; T182-F220 HydrophobicContact CG2-CG 3.65Å; F184-F220 HydrophobicContact CE1-CB 4.24Å; F184-F220 WeakPolarHBondContact CE1-O 3.46Å; F184-F220 HydrophobicContact CZ-CB 4.38Å; F184-F220 HydrophobicContact CZ-CD1 4.44Å; D216-F220 WeakPolarHBondContact O-CA 3.28Å; D216-F220 PolarHBondContact O-N 2.87Å; L217-F220 HydrophobicContact CB-CE1 4.46Å |
| 221 | E | 90.1 | Very high | 89.6 | Confident | 128 Ų | 128 | 44.7 Ų | 44.7 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 158 | 176.9 | -62.5 | -172.8 | 141.5 | 0 | 0 | 112.4 | W215 D216 T219 V223 | W215-E221 WeakPolarHBondContact CA-O 3.2Å; D216-E221 PolarHBondContact N-O 3.47Å; D216-E221 PolarHBondContact O-N 2.97Å; T219-E221 PolarHBondContact OG1-N 2.89Å; E221-V223 PolarHBondContact O-N 2.73Å |
| 222 | C | 90.1 | Very high | 89.3 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 104.6 | 171.4 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | F214 W215 G224 | F214-C222 CarbonylContact O-C 3.59Å; F214-C222 WeakPolarHBondContact O-CA 3.21Å; W215-C222 HydrophobicContact CE3-CB 3.76Å; W215-C222 HydrophobicContact CH2-CB 4.22Å; W215-C222 HydrophobicContact CZ3-CB 3.52Å; C222-G224 PolarHBondContact SG-O 2.85Å; C222-G224 VanDerWaalsContact SG-O 3.37Å |
| 223 | V | 90.1 | Very high | 89 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -21.2 | 176.7 | -74.9 | 0 | 0 | 0 | 0 | 113 | L202 F214 D216 E221 | L202-V223 HydrophobicContact CD1-CG2 3.76Å; F214-V223 HydrophobicContact CB-CG2 4.03Å; F214-V223 WeakPolarHBondContact O-CG2 3.36Å; F214-V223 PolarHBondContact O-N 3.19Å; D216-V223 HydrophobicContact CB-CG1 3.59Å; D216-V223 HydrophobicContact CB-CG2 4.25Å; E221-V223 PolarHBondContact O-N 2.73Å |
| 224 | G | 88.1 | Confident | 88.6 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 159 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R213 F214 C222 I261 | R213-G224 WeakPolarHBondContact CA-O 3.31Å; F214-G224 PolarHBondContact N-O 3.43Å; F214-G224 PolarHBondContact O-N 2.87Å; C222-G224 PolarHBondContact SG-O 2.85Å; C222-G224 VanDerWaalsContact SG-O 3.37Å; G224-I261 VanDerWaalsContact CA-CD1 3.42Å |
| 225 | Q | 91 | Very high | 88.2 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.2 | 169.5 | -170.9 | -156.2 | -80.4 | 0 | 0 | 109.2 | T211 V212 R213 | T211-Q225 HydrophobicContact CG2-CG 4.19Å; V212-Q225 CarbonylContact O-C 3.58Å; V212-Q225 VanDerWaalsContact O-CA 3.29Å; V212-Q225 WeakPolarHBondContact O-CA 3.47Å; R213-Q225 HydrophobicContact CG-CB 4.18Å; R213-Q225 HydrophobicContact CG-CG 3.83Å |
| 226 | S | 89.4 | Confident | 88.1 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 159.8 | 173.1 | 78 | 0 | 0 | 0 | 0 | 112.6 | V212 | V212-S226 PolarHBondContact N-OG 2.96Å; V212-S226 PolarHBondContact O-N 3.08Å |
| 227 | D | 87.9 | Confident | 88 | Confident | 113 Ų | 113 | 50.4 Ų | 50.4 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 146.9 | 159 | -68.6 | -43.5 | 0 | 0 | 0 | 110.9 | R254 | D227-R254 PolarHBondContact O-NH1 3.04Š|
| 228 | C | 85.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 140.8 | 176.1 | -55 | 0 | 0 | 0 | 0 | 111.8 | K210 R254 | K210-C228 WeakPolarHBondContact O-CA 3.37Å; C228-R254 PolarHBondContact O-NH2 2.77Å |
| 229 | D | 85.6 | Confident | 87.6 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 158.1 | 165.1 | -143.8 | 17.6 | 0 | 0 | 0 | 110.8 | K210 M231 I233 S249 R254 | K210-D229 VanDerWaalsContact CB-O 3.3Å; K210-D229 WeakPolarHBondContact CB-O 3.5Å; K210-D229 WeakPolarHBondContact CD-O 3.31Å; K210-D229 PolarHBondContact O-N 2.79Å; D229-M231 PolarHBondContact O-N 3.16Å; D229-I233 HydrophobicContact CB-CG1 4.4Å; D229-S249 WeakPolarHBondContact OD2-CB 3.39Å; D229-S249 PolarHBondContact OD2-OG 3.18Å; D229-R254 VanDerWaalsContact CG-NE 3.34Å; D229-R254 IonicContact OD1-CZ 2.72Å; D229-R254 IonicContact OD1-NE 3.5Å; D229-R254 PolarHBondContact OD1-NE 3.23Å; D229-R254 IonicContact OD1-NH2 3.18Å; D229-R254 PolarHBondContact OD1-NH2 3.25Å; D229-R254 IonicContact OD2-NE 2.72Å |
| 230 | P | 83.5 | Confident | 87.3 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -63.4 | -25.6 | 177.5 | -25.2 | 35.9 | 0 | 0 | 0 | 113.2 | K210 A251 | K210-P230 PolarHBondContact NZ-O 2.93Å; P230-A251 HydrophobicContact CB-CB 4.38Å; P230-A251 HydrophobicContact CG-CB 4.38Å |
| 231 | M | 85.7 | Confident | 86.7 | Confident | 87 Ų | 87 | 51.6 Ų | 51.6 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -131.9 | 160 | -172.3 | -64.9 | -69.4 | 135.9 | 0 | 0 | 111.1 | D229 A251 | D229-M231 PolarHBondContact O-N 3.16Å; M231-A251 HydrophobicContact CB-CB 4.14Å; M231-A251 HydrophobicContact CG-CB 3.91Å |
| 232 | D | 86.7 | Confident | 86.4 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | trans | -50.2 | 137.6 | 177.9 | -33.8 | -12.6 | 0 | 0 | 0 | 112.3 | A208 R234 S249 | A208-D232 HydrophobicContact CB-CB 4.32Å; D232-R234 IonicContact OD2-CZ 3.42Å; D232-R234 IonicContact OD2-NE 3.35Å; D232-R234 PolarHBondContact OD2-NE 2.79Å; D232-R234 IonicContact OD2-NH2 2.87Å; D232-R234 PolarHBondContact OD2-NH2 2.9Å; D232-S249 VanDerWaalsContact O-CA 3.27Å; D232-S249 WeakPolarHBondContact O-CA 3.44Å; D232-S249 WeakPolarHBondContact O-CB 3.48Å | ||
| 233 | I | 88.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.7 | 172.9 | -51.7 | -177.3 | 0 | 0 | 0 | 108.3 | Q192 A206 S207 V212 D229 I236 | Q192-I233 WeakPolarHBondContact CB-O 3.44Å; Q192-I233 WeakPolarHBondContact CG-O 3.14Å; A206-I233 HydrophobicContact CB-CB 4.11Å; A206-I233 HydrophobicContact CB-CG2 3.67Å; S207-I233 PolarHBondContact O-N 3.08Å; V212-I233 HydrophobicContact CG2-CD1 3.64Å; V212-I233 HydrophobicContact CG2-CG2 4.5Å; D229-I233 HydrophobicContact CB-CG1 4.4Å; I233-I236 HydrophobicContact CG2-CG2 4.31Å |
| 234 | R | 84.9 | Confident | 85.7 | Confident | 108 Ų | 108 | 44.8 Ų | 44.8 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -22.8 | -169.6 | -64.8 | -62.8 | -177.1 | 144.3 | 1.9 | 114.5 | D232 A248 | D232-R234 IonicContact OD2-CZ 3.42Å; D232-R234 IonicContact OD2-NE 3.35Å; D232-R234 PolarHBondContact OD2-NE 2.79Å; D232-R234 IonicContact OD2-NH2 2.87Å; D232-R234 PolarHBondContact OD2-NH2 2.9Å; R234-A248 PolarHBondContact N-O 2.85Å |
| 235 | S | 87.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 146.5 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | A248 R280 I282 | S235-A248 PolarHBondContact O-N 2.86Å; S235-R280 WeakPolarHBondContact CB-O 3.03Å; S235-I282 PolarHBondContact OG-N 3.18Å; S235-I282 VanDerWaalsContact OG-N 3.17Å |
| 236 | I | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 153.6 | 169.7 | 41.2 | 166.4 | 0 | 0 | 0 | 108.8 | H193 D195 A204 A206 V212 I233 L245 Y246 | H193-I236 HydrophobicContact CB-CG1 4.09Å; H193-I236 PolarHBondContact CE1-O 2.72Å; H193-I236 PolarHBondContact ND1-O 3.03Å; D195-I236 HydrophobicContact CB-CD1 4.08Å; D195-I236 HydrophobicContact CB-CG1 4.12Å; A204-I236 HydrophobicContact CB-CD1 3.69Å; A204-I236 VanDerWaalsContact O-CD1 3.31Å; A204-I236 WeakPolarHBondContact O-CD1 2.98Å; A206-I236 HydrophobicContact CB-CB 4.46Å; A206-I236 HydrophobicContact CB-CD1 4.06Å; A206-I236 HydrophobicContact CB-CG1 3.88Å; A206-I236 HydrophobicContact CB-CG2 3.86Å; V212-I236 HydrophobicContact CG2-CG2 4.02Å; I233-I236 HydrophobicContact CG2-CG2 4.31Å; I236-L245 HydrophobicContact CB-CD1 4.24Å; I236-L245 HydrophobicContact CB-CD2 4.4Å; I236-L245 HydrophobicContact CB-CG 4.48Å; I236-L245 HydrophobicContact CG2-CD2 4.05Å; I236-L245 HydrophobicContact CG2-CG 4.44Å; I236-Y246 CarbonylContact C-O 3.53Å; I236-Y246 WeakPolarHBondContact CA-O 3.35Å |
| 237 | A | 88.7 | Confident | 85.5 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 127.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D195 Y246 I282 | D195-A237 WeakPolarHBondContact OD2-CA 3.32Å; A237-Y246 PolarHBondContact N-O 3.11Å; A237-Y246 WeakPolarHBondContact O-CD2 3.37Å; A237-Y246 PolarHBondContact O-N 2.85Å; A237-I282 HydrophobicContact CB-CB 3.96Å; A237-I282 HydrophobicContact CB-CG2 3.74Å |
| 238 | F | 87.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 4% | 0.044 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 151.1 | 168 | -77.3 | -74.4 | 0 | 0 | 0 | 110.8 | D195 H197 L202 A204 F214 L245 W258 | D195-F238 HydrophobicContact CB-CD2 4.2Å; D195-F238 WeakPolarHBondContact O-CE2 3.43Å; D195-F238 PolarHBondContact OD2-N 3.5Å; H197-F238 HydrophobicContact CB-CD2 4.33Å; H197-F238 HydrophobicContact CB-CE1 4.28Å; H197-F238 HydrophobicContact CB-CE2 3.95Å; H197-F238 HydrophobicContact CB-CZ 3.92Å; H197-F238 AromaticContact CD2-CD1 3.6Å; H197-F238 AromaticContact CD2-CE1 3.62Å; L202-F238 HydrophobicContact CD2-CZ 4.29Å; A204-F238 HydrophobicContact CB-CE2 3.67Å; A204-F238 HydrophobicContact CB-CZ 3.71Å; F214-F238 HydrophobicContact CE1-CE1 4.46Å; F214-F238 HydrophobicContact CE1-CZ 4.41Å; F238-L245 HydrophobicContact CB-CD1 4.29Å; F238-L245 HydrophobicContact CD1-CB 4Å; F238-L245 HydrophobicContact CD1-CD1 3.53Å; F238-L245 HydrophobicContact CD1-CG 4.38Å; F238-L245 HydrophobicContact CD2-CD1 3.7Å; F238-L245 HydrophobicContact CE1-CB 4.05Å; F238-L245 HydrophobicContact CE1-CD1 3.73Å; F238-L245 HydrophobicContact CE1-CG 4.41Å; F238-L245 HydrophobicContact CE2-CD1 3.89Å; F238-L245 HydrophobicContact CG-CD1 3.54Å; F238-L245 HydrophobicContact CZ-CD1 3.91Å; F238-W258 AromaticContact CD1-CH2 3.89Å; F238-W258 HydrophobicContact CD1-CH2 3.89Å; F238-W258 AromaticContact CD1-CZ3 3.75Å; F238-W258 HydrophobicContact CD1-CZ3 3.75Å; F238-W258 HydrophobicContact CE1-CD2 4.44Å; F238-W258 AromaticContact CE1-CE3 3.84Å; F238-W258 HydrophobicContact CE1-CE3 3.84Å; F238-W258 AromaticContact CE1-CH2 3.79Å; F238-W258 HydrophobicContact CE1-CH2 3.79Å; F238-W258 HydrophobicContact CE1-CZ2 4.38Å; F238-W258 AromaticContact CE1-CZ3 3.47Å; F238-W258 HydrophobicContact CE1-CZ3 3.47Å; F238-W258 VanDerWaalsContact CE1-CZ3 3.47Å |
| 239 | H | 83.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -66.2 | 138.7 | 163 | 172.7 | -144.4 | 0 | 0 | 0 | 110 | K241 G242 C244 Y246 Q289 M310 | H239-K241 PolarHBondContact O-N 2.7Å; H239-G242 PolarHBondContact O-N 3.41Å; H239-C244 PolarHBondContact N-O 3.03Å; H239-Y246 HydrophobicContact CB-CE2 4.14Å; H239-Q289 PolarHBondContact NE2-NE2 2.83Å; H239-M310 HydrophobicContact CB-CE 4.46Å | ||
| 240 | D | 80.2 | Confident | 84.9 | Confident | 76 Ų | 76 | 33.1 Ų | 33.1 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -25.8 | -179.3 | -64.5 | 49.2 | 0 | 0 | 0 | 115.1 | P198 C284 G286 | P198-D240 WeakPolarHBondContact CG-O 3.42Å; D240-C284 WeakPolarHBondContact OD1-CB 3.38Å; D240-C284 PolarHBondContact OD1-SG 2.65Å; D240-G286 VanDerWaalsContact CG-CA 3.41Å; D240-G286 VanDerWaalsContact CG-N 3.31Å; D240-G286 PolarHBondContact OD1-N 3.47Å; D240-G286 VanDerWaalsContact OD2-CA 3.26Å; D240-G286 WeakPolarHBondContact OD2-CA 3.28Å; D240-G286 PolarHBondContact OD2-N 3.34Å |
| 241 | K | 77.8 | Confident | 84.5 | Confident | 152 Ų | 152 | 31 Ų | 31 | 66% | 0.661 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.5 | 176.2 | -59 | -174.4 | -178.1 | 176.4 | 0 | 114.9 | H239 L243 | H239-K241 PolarHBondContact O-N 2.7Å; K241-L243 HydrophobicContact CB-CD1 4.46Å; K241-L243 HydrophobicContact CB-CG 4.22Å |
| 242 | G | 81.9 | Confident | 84.1 | Confident | 13 Ų | 13 | 26.8 Ų | 26.8 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 72 | 44.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H197 H239 | H197-G242 WeakPolarHBondContact NE2-CA 3.4Å; H197-G242 PolarHBondContact NE2-O 3.33Å; H239-G242 PolarHBondContact O-N 3.41Å |
| 243 | L | 81.3 | Confident | 83.8 | Confident | 82 Ų | 82 | 24.7 Ų | 24.7 | 43% | 0.429 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -107.9 | -16.7 | -179.1 | -57.8 | 179.3 | 0 | 0 | 0 | 114.7 | K241 P315 L316 | K241-L243 HydrophobicContact CB-CD1 4.46Å; K241-L243 HydrophobicContact CB-CG 4.22Å; L243-P315 VanDerWaalsContact O-CG 3.28Å; L243-P315 WeakPolarHBondContact O-CG 3.28Å; L243-L316 HydrophobicContact CD1-CD2 3.8Å |
| 244 | C | 85.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -171.2 | 159.4 | 179.2 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | H239 Y246 V255 L256 P315 | H239-C244 PolarHBondContact N-O 3.03Å; C244-Y246 VanDerWaalsContact SG-CZ 3.51Å; C244-Y246 PolarHBondContact SG-OH 3.01Å; C244-V255 HydrophobicContact CB-CG1 3.81Å; C244-L256 WeakPolarHBondContact CA-O 3.4Å; C244-P315 HydrophobicContact CB-CG 3.98Å | ||
| 245 | L | 88.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.9 | 174.9 | -176.3 | 80.2 | 0 | 0 | 0 | 109.5 | A204 V212 F214 I236 F238 L256 W258 | A204-L245 HydrophobicContact CB-CD1 4.07Å; A204-L245 HydrophobicContact CB-CD2 3.82Å; V212-L245 HydrophobicContact CG1-CD2 3.65Å; F214-L245 HydrophobicContact CE1-CB 4.48Å; F214-L245 HydrophobicContact CE1-CD2 3.78Å; F214-L245 HydrophobicContact CZ-CD2 3.88Å; I236-L245 HydrophobicContact CB-CD1 4.24Å; I236-L245 HydrophobicContact CB-CD2 4.4Å; I236-L245 HydrophobicContact CB-CG 4.48Å; I236-L245 HydrophobicContact CG2-CD2 4.05Å; I236-L245 HydrophobicContact CG2-CG 4.44Å; F238-L245 HydrophobicContact CB-CD1 4.29Å; F238-L245 HydrophobicContact CD1-CB 4Å; F238-L245 HydrophobicContact CD1-CD1 3.53Å; F238-L245 HydrophobicContact CD1-CG 4.38Å; F238-L245 HydrophobicContact CD2-CD1 3.7Å; F238-L245 HydrophobicContact CE1-CB 4.05Å; F238-L245 HydrophobicContact CE1-CD1 3.73Å; F238-L245 HydrophobicContact CE1-CG 4.41Å; F238-L245 HydrophobicContact CE2-CD1 3.89Å; F238-L245 HydrophobicContact CG-CD1 3.54Å; F238-L245 HydrophobicContact CZ-CD1 3.91Å; L245-L256 HydrophobicContact CB-CB 4.37Å; L245-L256 HydrophobicContact CD2-CD1 4.4Å; L245-L256 PolarHBondContact N-O 2.84Å; L245-L256 PolarHBondContact O-N 2.94Å; L245-W258 HydrophobicContact CB-CZ3 4.25Å |
| 246 | Y | 87.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.6 | 172 | -59.1 | -68.9 | 0 | 0 | 0 | 109.5 | I236 A237 H239 C244 R254 V255 I282 L291 M310 L313 | I236-Y246 CarbonylContact C-O 3.53Å; I236-Y246 WeakPolarHBondContact CA-O 3.35Å; A237-Y246 PolarHBondContact N-O 3.11Å; A237-Y246 WeakPolarHBondContact O-CD2 3.37Å; A237-Y246 PolarHBondContact O-N 2.85Å; H239-Y246 HydrophobicContact CB-CE2 4.14Å; C244-Y246 VanDerWaalsContact SG-CZ 3.51Å; C244-Y246 PolarHBondContact SG-OH 3.01Å; Y246-R254 WeakPolarHBondContact CA-O 3.28Å; Y246-V255 HydrophobicContact CD1-CB 4.4Å; Y246-V255 HydrophobicContact CD1-CG1 4.12Å; Y246-V255 HydrophobicContact CD1-CG2 3.88Å; Y246-V255 HydrophobicContact CE1-CB 4.3Å; Y246-V255 HydrophobicContact CE1-CG1 3.72Å; Y246-V255 HydrophobicContact CE1-CG2 3.75Å; Y246-I282 WeakPolarHBondContact O-CD1 3.21Å; Y246-L291 HydrophobicContact CD1-CD1 4.38Å; Y246-L291 HydrophobicContact CD1-CD2 3.59Å; Y246-L291 HydrophobicContact CD2-CD1 3.41Å; Y246-L291 VanDerWaalsContact CD2-CD1 3.41Å; Y246-L291 HydrophobicContact CD2-CD2 4.17Å; Y246-L291 HydrophobicContact CD2-CG 4.42Å; Y246-L291 HydrophobicContact CE1-CD2 4.05Å; Y246-L291 HydrophobicContact CE2-CD1 3.76Å; Y246-L291 HydrophobicContact CG-CD1 3.75Å; Y246-L291 HydrophobicContact CG-CD2 3.67Å; Y246-L291 HydrophobicContact CG-CG 4.37Å; Y246-M310 HydrophobicContact CE2-CE 3.58Å; Y246-M310 WeakPolarHBondContact OH-CE 3.43Å; Y246-L313 HydrophobicContact CD1-CD1 4.37Å; Y246-L313 HydrophobicContact CE1-CD1 3.65Å |
| 247 | S | 88 | Confident | 83.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.6 | 174.1 | 74.9 | 0 | 0 | 0 | 0 | 111.6 | L253 R254 | S247-L253 CarbonylContact O-C 3.57Å; S247-L253 WeakPolarHBondContact O-CA 3.35Å; S247-R254 PolarHBondContact N-O 2.73Å; S247-R254 PolarHBondContact O-N 3.14Å |
| 248 | A | 85.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R234 S235 R280 I282 | R234-A248 PolarHBondContact N-O 2.85Å; S235-A248 PolarHBondContact O-N 2.86Å; A248-R280 HydrophobicContact CB-CB 3.98Å; A248-I282 HydrophobicContact CB-CD1 3.54Å; A248-I282 HydrophobicContact CB-CG1 3.71Å |
| 249 | S | 84.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 176 | 167.3 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | D229 D232 A251 G252 W269 | D229-S249 WeakPolarHBondContact OD2-CB 3.39Å; D229-S249 PolarHBondContact OD2-OG 3.18Å; D232-S249 VanDerWaalsContact O-CA 3.27Å; D232-S249 WeakPolarHBondContact O-CA 3.44Å; D232-S249 WeakPolarHBondContact O-CB 3.48Å; S249-A251 PolarHBondContact O-N 3.43Å; S249-A251 PolarHBondContact OG-N 3.19Å; S249-A251 VanDerWaalsContact OG-N 3.08Å; S249-G252 PolarHBondContact N-O 3.02Å; S249-G252 PolarHBondContact OG-N 2.63Å; S249-G252 PolarHBondContact OG-O 3.31Å; S249-W269 PolarHBondContact O-NE1 3Å |
| 250 | S | 75.3 | Confident | 81.5 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 28% | 0.28 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -65.5 | -15.6 | 169.4 | -54.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 251 | A | 76.2 | Confident | 81.3 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 24% | 0.24 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -90.4 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | P230 M231 S249 A268 W269 | P230-A251 HydrophobicContact CB-CB 4.38Å; P230-A251 HydrophobicContact CG-CB 4.38Å; M231-A251 HydrophobicContact CB-CB 4.14Å; M231-A251 HydrophobicContact CG-CB 3.91Å; S249-A251 PolarHBondContact O-N 3.43Å; S249-A251 PolarHBondContact OG-N 3.19Å; S249-A251 VanDerWaalsContact OG-N 3.08Å; A251-A268 WeakPolarHBondContact O-CA 3.4Å; A251-W269 VanDerWaalsContact O-CD1 3.24Å; A251-W269 PolarHBondContact O-N 2.99Å |
| 252 | G | 76.5 | Confident | 81 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | -176.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S249 V267 W269 | S249-G252 PolarHBondContact N-O 3.02Å; S249-G252 PolarHBondContact OG-N 2.63Å; S249-G252 PolarHBondContact OG-O 3.31Å; G252-V267 CarbonylContact C-O 3.52Å; G252-V267 WeakPolarHBondContact CA-O 3.3Å; G252-W269 VanDerWaalsContact C-CE2 3.48Å; G252-W269 VanDerWaalsContact CA-CD1 3.4Å; G252-W269 VanDerWaalsContact N-CD1 3.27Å; G252-W269 PolarHBondContact O-NE1 3.49Å |
| 253 | L | 80.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.5 | 159.5 | 173.7 | 76.8 | 0 | 0 | 0 | 107.7 | S247 V267 W269 I282 L291 T293 V308 | S247-L253 CarbonylContact O-C 3.57Å; S247-L253 WeakPolarHBondContact O-CA 3.35Å; L253-V267 HydrophobicContact CB-CB 4.38Å; L253-V267 PolarHBondContact N-O 2.94Å; L253-V267 PolarHBondContact O-N 2.89Å; L253-W269 HydrophobicContact CB-CH2 3.91Å; L253-W269 HydrophobicContact CB-CZ2 3.79Å; L253-I282 HydrophobicContact CD1-CD1 3.78Å; L253-I282 HydrophobicContact CD1-CG1 4.21Å; L253-L291 HydrophobicContact CD1-CD2 4.11Å; L253-L291 HydrophobicContact CD2-CD2 3.64Å; L253-L291 HydrophobicContact CG-CD2 4.47Å; L253-T293 HydrophobicContact CD1-CG2 4.23Å; L253-T293 HydrophobicContact CD2-CG2 4.37Å; L253-V308 HydrophobicContact CD2-CG2 4.45Å |
| 254 | R | 84.1 | Confident | 80.2 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 153.1 | 169 | -65.6 | -174.2 | 179.5 | -160.9 | 0.1 | 111.3 | D227 C228 D229 Y246 S247 L256 V263 H265 N266 | D227-R254 PolarHBondContact O-NH1 3.04Å; C228-R254 PolarHBondContact O-NH2 2.77Å; D229-R254 VanDerWaalsContact CG-NE 3.34Å; D229-R254 IonicContact OD1-CZ 2.72Å; D229-R254 IonicContact OD1-NE 3.5Å; D229-R254 PolarHBondContact OD1-NE 3.23Å; D229-R254 IonicContact OD1-NH2 3.18Å; D229-R254 PolarHBondContact OD1-NH2 3.25Å; D229-R254 IonicContact OD2-NE 2.72Å; Y246-R254 WeakPolarHBondContact CA-O 3.28Å; S247-R254 PolarHBondContact N-O 2.73Å; S247-R254 PolarHBondContact O-N 3.14Å; R254-L256 HydrophobicContact CB-CD2 4.08Å; R254-L256 HydrophobicContact CB-CG 4.37Å; R254-V263 HydrophobicContact CB-CG1 4.35Å; R254-V263 HydrophobicContact CG-CG1 4.27Å; R254-H265 VanDerWaalsContact CA-O 3.3Å; R254-H265 WeakPolarHBondContact CA-O 3.39Å; R254-N266 HydrophobicContact CG-CB 4.43Å |
| 255 | V | 86.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.1 | 164.7 | -167 | 0 | 0 | 0 | 0 | 107.5 | C244 Y246 Y264 H265 L313 A314 | C244-V255 HydrophobicContact CB-CG1 3.81Å; Y246-V255 HydrophobicContact CD1-CB 4.4Å; Y246-V255 HydrophobicContact CD1-CG1 4.12Å; Y246-V255 HydrophobicContact CD1-CG2 3.88Å; Y246-V255 HydrophobicContact CE1-CB 4.3Å; Y246-V255 HydrophobicContact CE1-CG1 3.72Å; Y246-V255 HydrophobicContact CE1-CG2 3.75Å; V255-Y264 PolarHBondContact O-N 2.97Å; V255-H265 HydrophobicContact CB-CB 4.24Å; V255-H265 HydrophobicContact CG2-CB 3.82Å; V255-H265 PolarHBondContact N-O 3.23Å; V255-L313 HydrophobicContact CG2-CB 4.17Å; V255-L313 HydrophobicContact CG2-CD1 4.17Å; V255-L313 HydrophobicContact CG2-CD2 4.05Å; V255-L313 HydrophobicContact CG2-CG 4.36Å; V255-A314 WeakPolarHBondContact CG1-O 3.38Å |
| 256 | L | 85.9 | Confident | 78.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.4 | -173.9 | -55.9 | 178.7 | 0 | 0 | 0 | 110.7 | V212 C244 L245 R254 A262 V263 | V212-L256 HydrophobicContact CB-CD1 4.13Å; V212-L256 HydrophobicContact CG2-CD1 3.73Å; C244-L256 WeakPolarHBondContact CA-O 3.4Å; L245-L256 HydrophobicContact CB-CB 4.37Å; L245-L256 HydrophobicContact CD2-CD1 4.4Å; L245-L256 PolarHBondContact N-O 2.84Å; L245-L256 PolarHBondContact O-N 2.94Å; R254-L256 HydrophobicContact CB-CD2 4.08Å; R254-L256 HydrophobicContact CB-CG 4.37Å; L256-A262 WeakPolarHBondContact CA-O 3.24Å; L256-V263 HydrophobicContact CD2-CB 4.31Å; L256-V263 HydrophobicContact CD2-CG1 4.2Å; L256-V263 HydrophobicContact CD2-CG2 3.75Å |
| 257 | D | 84.4 | Confident | 78.1 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 164.6 | 162.4 | -154.1 | -39.2 | 0 | 0 | 0 | 109.4 | E259 P260 I261 A262 Y264 | D257-E259 PolarHBondContact OD1-N 2.97Å; D257-P260 WeakPolarHBondContact CB-O 3.02Å; D257-I261 WeakPolarHBondContact O-CA 3.4Å; D257-A262 HydrophobicContact CB-CB 4.33Å; D257-A262 PolarHBondContact N-O 3.07Å; D257-Y264 HydrophobicContact CB-CD2 4.32Å; D257-Y264 HydrophobicContact CB-CE2 3.67Å; D257-Y264 WeakPolarHBondContact OD2-CE2 3.49Å; D257-Y264 PolarHBondContact OD2-OH 3.03Å |
| 258 | W | 79.6 | Confident | 77.3 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -25.3 | 172.8 | 53.5 | 99.1 | 0 | 0 | 0 | 113.2 | H197 L202 F214 F238 L245 P260 I261 | H197-W258 AromaticContact CD2-CH2 3.72Å; H197-W258 AromaticContact CD2-CZ2 3.57Å; H197-W258 AromaticContact CE1-CZ2 3.94Å; H197-W258 AromaticContact NE2-CH2 3.55Å; H197-W258 AromaticContact NE2-CZ2 3.2Å; H197-W258 WeakPolarHBondContact NE2-CZ2 3.26Å; L202-W258 HydrophobicContact CD2-CD2 4.05Å; L202-W258 HydrophobicContact CD2-CG 3.83Å; F214-W258 HydrophobicContact CD1-CB 3.86Å; F214-W258 HydrophobicContact CD1-CG 4.42Å; F214-W258 HydrophobicContact CD2-CB 4.09Å; F214-W258 HydrophobicContact CE1-CB 3.83Å; F214-W258 HydrophobicContact CE1-CD2 4.42Å; F214-W258 HydrophobicContact CE1-CE3 4.06Å; F214-W258 HydrophobicContact CE1-CG 4.37Å; F214-W258 HydrophobicContact CE2-CB 4.06Å; F214-W258 HydrophobicContact CG-CB 3.98Å; F214-W258 HydrophobicContact CZ-CB 3.93Å; F214-W258 HydrophobicContact CZ-CE3 4.47Å; F238-W258 AromaticContact CD1-CH2 3.89Å; F238-W258 HydrophobicContact CD1-CH2 3.89Å; F238-W258 AromaticContact CD1-CZ3 3.75Å; F238-W258 HydrophobicContact CD1-CZ3 3.75Å; F238-W258 HydrophobicContact CE1-CD2 4.44Å; F238-W258 AromaticContact CE1-CE3 3.84Å; F238-W258 HydrophobicContact CE1-CE3 3.84Å; F238-W258 AromaticContact CE1-CH2 3.79Å; F238-W258 HydrophobicContact CE1-CH2 3.79Å; F238-W258 HydrophobicContact CE1-CZ2 4.38Å; F238-W258 AromaticContact CE1-CZ3 3.47Å; F238-W258 HydrophobicContact CE1-CZ3 3.47Å; F238-W258 VanDerWaalsContact CE1-CZ3 3.47Å; L245-W258 HydrophobicContact CB-CZ3 4.25Å; W258-P260 VanDerWaalsContact C-C 3.49Å; W258-P260 CarbonylContact O-C 3.56Å; W258-I261 WeakPolarHBondContact O-CG1 3.26Å; W258-I261 PolarHBondContact O-N 3.1Å |
| 259 | E | 72 | Confident | 76.3 | Confident | 79 Ų | 79 | 36.7 Ų | 36.7 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 80.9 | -176.7 | -79.8 | -169 | -160.6 | 0 | 0 | 112.8 | D257 | D257-E259 PolarHBondContact OD1-N 2.97Š|
| 260 | P | 69.3 | Low | 74.9 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 62% | 0.623 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.7 | 154.6 | 2.5 | 35.4 | -35.2 | 0 | 0 | 0 | 112.9 | D257 W258 A262 | D257-P260 WeakPolarHBondContact CB-O 3.02Å; W258-P260 VanDerWaalsContact C-C 3.49Å; W258-P260 CarbonylContact O-C 3.56Å; P260-A262 PolarHBondContact O-N 3.16Å |
| 261 | I | 75.6 | Confident | 73.8 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 40% | 0.4 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 112.5 | 176.8 | -47.3 | 166.9 | 0 | 0 | 0 | 110.2 | G224 D257 W258 | G224-I261 VanDerWaalsContact CA-CD1 3.42Å; D257-I261 WeakPolarHBondContact O-CA 3.4Å; W258-I261 WeakPolarHBondContact O-CG1 3.26Å; W258-I261 PolarHBondContact O-N 3.1Å |
| 262 | A | 72.6 | Confident | 72.7 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 151.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L256 D257 P260 | L256-A262 WeakPolarHBondContact CA-O 3.24Å; D257-A262 HydrophobicContact CB-CB 4.33Å; D257-A262 PolarHBondContact N-O 3.07Å; P260-A262 PolarHBondContact O-N 3.16Å |
| 263 | V | 74.7 | Confident | 71 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 100.9 | 172 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | R254 L256 | R254-V263 HydrophobicContact CB-CG1 4.35Å; R254-V263 HydrophobicContact CG-CG1 4.27Å; L256-V263 HydrophobicContact CD2-CB 4.31Å; L256-V263 HydrophobicContact CD2-CG1 4.2Å; L256-V263 HydrophobicContact CD2-CG2 3.75Å |
| 264 | Y | 70.3 | Confident | 69.3 | Low | 98 Ų | 98 | 58.9 Ų | 58.9 | 38% | 0.384 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -40.4 | -177.7 | -73.3 | -57 | 0 | 0 | 0 | 113.2 | V255 D257 A314 P315 | V255-Y264 PolarHBondContact O-N 2.97Å; D257-Y264 HydrophobicContact CB-CD2 4.32Å; D257-Y264 HydrophobicContact CB-CE2 3.67Å; D257-Y264 WeakPolarHBondContact OD2-CE2 3.49Å; D257-Y264 PolarHBondContact OD2-OH 3.03Å; Y264-A314 WeakPolarHBondContact CB-O 3.27Å; Y264-A314 HydrophobicContact CG-CB 4.44Å; Y264-P315 HydrophobicContact CD2-CB 3.98Å; Y264-P315 HydrophobicContact CD2-CG 4.05Å; Y264-P315 HydrophobicContact CE2-CB 3.58Å; Y264-P315 HydrophobicContact CE2-CG 3.83Å |
| 265 | H | 67.8 | Low | 67.5 | Low | 54 Ų | 54 | 61.9 Ų | 61.9 | 25% | 0.25 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.5 | 178.3 | -85.6 | -110 | 0 | 0 | 0 | 110.7 | R254 V255 L312 L313 A314 | R254-H265 VanDerWaalsContact CA-O 3.3Å; R254-H265 WeakPolarHBondContact CA-O 3.39Å; V255-H265 HydrophobicContact CB-CB 4.24Å; V255-H265 HydrophobicContact CG2-CB 3.82Å; V255-H265 PolarHBondContact N-O 3.23Å; H265-L312 PolarHBondContact CE1-O 2.85Å; H265-L313 HydrophobicContact CB-CD2 4.48Å; H265-A314 PolarHBondContact CD2-N 3.49Å; H265-A314 PolarHBondContact NE2-N 3.34Å |
| 266 | N | 77.2 | Confident | 65.9 | Low | 86 Ų | 86 | 62.4 Ų | 62.4 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 106.4 | 167.8 | -176.4 | -12 | 0 | 0 | 0 | 108.4 | R254 | R254-N266 HydrophobicContact CG-CB 4.43Å |
| 267 | V | 72.7 | Confident | 64.2 | Low | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 88.1 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | M5 G252 L253 W269 L272 | M5-V267 HydrophobicContact CE-CG2 4.12Å; G252-V267 CarbonylContact C-O 3.52Å; G252-V267 WeakPolarHBondContact CA-O 3.3Å; L253-V267 HydrophobicContact CB-CB 4.38Å; L253-V267 PolarHBondContact N-O 2.94Å; L253-V267 PolarHBondContact O-N 2.89Å; V267-W269 PolarHBondContact O-N 2.93Å; V267-L272 HydrophobicContact CG1-CD1 4.46Å |
| 268 | A | 71.1 | Confident | 62.9 | Low | 42 Ų | 42 | 69.5 Ų | 69.5 | 35% | 0.347 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 128.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A251 Q270 A271 | A251-A268 WeakPolarHBondContact O-CA 3.4Å; A268-Q270 PolarHBondContact O-N 3.07Å; A268-Q270 VanDerWaalsContact O-N 3.11Å; A268-A271 WeakPolarHBondContact O-CB 3.47Å; A268-A271 PolarHBondContact O-N 3.34Å |
| 269 | W | 66.6 | Low | 61.7 | Low | 5 Ų | 5 | 68.8 Ų | 68.8 | 2% | 0.019 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -63.9 | -21.9 | -174.8 | -58.2 | 119 | 0 | 0 | 0 | 113.8 | S249 A251 G252 L253 V267 A271 L272 R280 T293 L306 | S249-W269 PolarHBondContact O-NE1 3Å; A251-W269 VanDerWaalsContact O-CD1 3.24Å; A251-W269 PolarHBondContact O-N 2.99Å; G252-W269 VanDerWaalsContact C-CE2 3.48Å; G252-W269 VanDerWaalsContact CA-CD1 3.4Å; G252-W269 VanDerWaalsContact N-CD1 3.27Å; G252-W269 PolarHBondContact O-NE1 3.49Å; L253-W269 HydrophobicContact CB-CH2 3.91Å; L253-W269 HydrophobicContact CB-CZ2 3.79Å; V267-W269 PolarHBondContact O-N 2.93Å; W269-A271 PolarHBondContact O-N 2.94Å; W269-L272 HydrophobicContact CE3-CD1 3.9Å; W269-L272 HydrophobicContact CZ3-CD1 4.07Å; W269-L272 CarbonylContact O-C 3.37Å; W269-L272 WeakPolarHBondContact O-CA 3.4Å; W269-L272 PolarHBondContact O-N 3.14Å; W269-R280 VanDerWaalsContact CD2-NH2 3.32Å; W269-R280 VanDerWaalsContact CH2-NH1 3.35Å; W269-T293 HydrophobicContact CH2-CG2 4.43Å; W269-L306 HydrophobicContact CE3-CD1 4.31Å; W269-L306 HydrophobicContact CZ3-CD1 3.7Å |
| 270 | Q | 55 | Low | 61.4 | Low | 162 Ų | 162 | 65.6 Ų | 65.6 | 76% | 0.757 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -59.5 | -31.6 | 174.6 | -67.3 | 178.3 | -14.5 | 0 | 0 | 112.6 | A268 L272 H273 | A268-Q270 PolarHBondContact O-N 3.07Å; A268-Q270 VanDerWaalsContact O-N 3.11Å; Q270-L272 PolarHBondContact O-N 3Å; Q270-H273 PolarHBondContact O-N 2.77Å |
| 271 | A | 50.8 | Low | 61.1 | Low | 57 Ų | 57 | 62 Ų | 62 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -69.1 | -19 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A268 W269 H273 | A268-A271 WeakPolarHBondContact O-CB 3.47Å; A268-A271 PolarHBondContact O-N 3.34Å; W269-A271 PolarHBondContact O-N 2.94Å; A271-H273 VanDerWaalsContact C-N 3.3Å |
| 272 | L | 52.5 | Low | 60.8 | Low | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -97.7 | 26 | 174.9 | -64.7 | 168.4 | 0 | 0 | 0 | 111.9 | A6 V267 W269 Q270 R274 L306 | A6-L272 HydrophobicContact CB-CD1 3.76Å; A6-L272 HydrophobicContact CB-CD2 3.95Å; V267-L272 HydrophobicContact CG1-CD1 4.46Å; W269-L272 HydrophobicContact CE3-CD1 3.9Å; W269-L272 HydrophobicContact CZ3-CD1 4.07Å; W269-L272 CarbonylContact O-C 3.37Å; W269-L272 WeakPolarHBondContact O-CA 3.4Å; W269-L272 PolarHBondContact O-N 3.14Å; Q270-L272 PolarHBondContact O-N 3Å; L272-R274 PolarHBondContact O-N 2.9Å; L272-L306 HydrophobicContact CD1-CD1 4.39Å |
| 273 | H | 41.5 | Very low | 60.6 | Low | 180 Ų | 180 | 58.4 Ų | 58.4 | 83% | 0.833 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 1.1 | 162.2 | -130.3 | -59.6 | 0 | 0 | 0 | 118.1 | Q270 A271 | Q270-H273 PolarHBondContact O-N 2.77Å; A271-H273 VanDerWaalsContact C-N 3.3Å |
| 274 | R | 46.4 | Very low | 59.9 | Low | 97 Ų | 97 | 57 Ų | 57 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -145.5 | 142.4 | 177.3 | -79.1 | 179.9 | 172 | -165.7 | 11.1 | 111.3 | L272 W276 E302 | L272-R274 PolarHBondContact O-N 2.9Å; R274-W276 HydrophobicContact CB-CD2 4.43Å; R274-W276 HydrophobicContact CB-CH2 4.48Å; R274-W276 HydrophobicContact CB-CZ2 3.62Å; R274-W276 HydrophobicContact CG-CZ2 4.13Å; R274-W276 PolarHBondContact O-NE1 3.16Å; R274-W276 VanDerWaalsContact O-NE1 3.12Å; R274-E302 IonicContact CZ-OE2 2.75Å; R274-E302 IonicContact NH1-OE1 3.44Å; R274-E302 IonicContact NH1-OE2 3.52Å; R274-E302 PolarHBondContact NH1-OE2 3.08Å; R274-E302 IonicContact NH2-OE1 3.97Å; R274-E302 IonicContact NH2-OE2 2.71Å |
| 275 | C | 45 | Very low | 59.5 | Low | 84 Ų | 84 | 52.9 Ų | 52.9 | 57% | 0.568 | 28% | 0.282 | S | S | * | . | trans | -87.1 | 125.7 | 169.2 | -63.1 | 0 | 0 | 0 | 0 | 110 | Q297 | C275-Q297 WeakPolarHBondContact O-CG 3.35Š| ||
| 276 | W | 53.7 | Low | 58.8 | Low | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | trans | -124.7 | 102.7 | 178.5 | -33.2 | 71 | 0 | 0 | 0 | 109.5 | R274 R280 C295 Q297 C304 | R274-W276 HydrophobicContact CB-CD2 4.43Å; R274-W276 HydrophobicContact CB-CH2 4.48Å; R274-W276 HydrophobicContact CB-CZ2 3.62Å; R274-W276 HydrophobicContact CG-CZ2 4.13Å; R274-W276 PolarHBondContact O-NE1 3.16Å; R274-W276 VanDerWaalsContact O-NE1 3.12Å; W276-R280 VanDerWaalsContact O-CZ 3.29Å; W276-R280 PolarHBondContact O-NE 3.31Å; W276-R280 PolarHBondContact O-NH2 3.05Å; W276-C295 HydrophobicContact CB-CB 4.31Å; W276-C295 HydrophobicContact CD2-CB 4.33Å; W276-C295 HydrophobicContact CE3-CB 4.43Å; W276-C295 HydrophobicContact CG-CB 4.29Å; W276-Q297 HydrophobicContact CD2-CG 3.93Å; W276-Q297 HydrophobicContact CE3-CB 3.61Å; W276-Q297 HydrophobicContact CE3-CG 3.43Å; W276-Q297 VanDerWaalsContact CE3-CG 3.43Å; W276-Q297 HydrophobicContact CG-CG 4.42Å; W276-Q297 HydrophobicContact CZ3-CB 3.89Å; W276-Q297 HydrophobicContact CZ3-CG 3.84Å; W276-Q297 VanDerWaalsContact CZ3-OE1 3.25Å; W276-C304 HydrophobicContact CH2-CB 4.1Å; W276-C304 WeakPolarHBondContact CH2-SG 3.42Å; W276-C304 HydrophobicContact CZ3-CB 4.02Å; W276-C304 WeakPolarHBondContact CZ3-SG 3.22Å | ||
| 277 | P | 50 | Low | 57.7 | Low | 60 Ų | 60 | 53.7 Ų | 53.7 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | trans | -98.7 | -23.7 | -167.1 | -5.2 | 25.1 | 0 | 0 | 0 | 117.3 | P298 | P277-P298 VanDerWaalsContact CD-CD 3.49Å; P277-P298 HydrophobicContact CG-CG 3.84Å | ||
| 278 | L | 56.8 | Low | 56.8 | Low | 109 Ų | 109 | 56.3 Ų | 56.3 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -94.1 | -42.2 | -160.7 | -93.7 | 88.8 | 0 | 0 | 0 | 116.8 | L296 P298 | L278-L296 HydrophobicContact CB-CD2 4.19Å; L278-P298 HydrophobicContact CD1-CB 3.78Å; L278-P298 HydrophobicContact CD1-CG 3.77Å |
| 279 | V | 53.8 | Low | 56.5 | Low | 12 Ų | 12 | 57 Ų | 57 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125.7 | 179.6 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | V281 L294 C295 L296 | V279-V281 HydrophobicContact CG1-CG2 4.19Å; V279-L294 HydrophobicContact CG1-CD2 3.79Å; V279-C295 WeakPolarHBondContact O-CA 3.28Å; V279-L296 HydrophobicContact CB-CB 3.76Å; V279-L296 HydrophobicContact CG2-CB 4Å; V279-L296 HydrophobicContact CG2-CD2 3.81Å; V279-L296 PolarHBondContact O-N 2.94Å; V279-L296 VanDerWaalsContact O-N 3.08Å |
| 280 | R | 65.6 | Low | 56.4 | Low | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.045 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 96.4 | 173.1 | -63.8 | -60.8 | -174.8 | 134.8 | 23.4 | 107.8 | S235 A248 W269 W276 L294 C295 | S235-R280 WeakPolarHBondContact CB-O 3.03Å; A248-R280 HydrophobicContact CB-CB 3.98Å; W269-R280 VanDerWaalsContact CD2-NH2 3.32Å; W269-R280 VanDerWaalsContact CH2-NH1 3.35Å; W276-R280 VanDerWaalsContact O-CZ 3.29Å; W276-R280 PolarHBondContact O-NE 3.31Å; W276-R280 PolarHBondContact O-NH2 3.05Å; R280-L294 VanDerWaalsContact CA-O 3.28Å; R280-L294 WeakPolarHBondContact CA-O 3.44Å; R280-C295 PolarHBondContact NH1-SG 2.88Å |
| 281 | V | 63.6 | Low | 57.1 | Low | 21 Ų | 21 | 52.3 Ų | 52.3 | 13% | 0.127 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.8 | 170.5 | 176.1 | 0 | 0 | 0 | 0 | 108 | V279 R283 L294 | V279-V281 HydrophobicContact CG1-CG2 4.19Å; V281-R283 HydrophobicContact CG1-CG 4.29Å; V281-L294 HydrophobicContact CB-CB 4.47Å; V281-L294 PolarHBondContact N-O 2.83Å; V281-L294 PolarHBondContact O-N 3.29Å |
| 282 | I | 68.6 | Low | 58 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.2 | 170.1 | -53.2 | 163.1 | 0 | 0 | 0 | 108.4 | S235 A237 Y246 A248 L253 L291 T293 | S235-I282 PolarHBondContact OG-N 3.18Å; S235-I282 VanDerWaalsContact OG-N 3.17Å; A237-I282 HydrophobicContact CB-CB 3.96Å; A237-I282 HydrophobicContact CB-CG2 3.74Å; Y246-I282 WeakPolarHBondContact O-CD1 3.21Å; A248-I282 HydrophobicContact CB-CD1 3.54Å; A248-I282 HydrophobicContact CB-CG1 3.71Å; L253-I282 HydrophobicContact CD1-CD1 3.78Å; L253-I282 HydrophobicContact CD1-CG1 4.21Å; I282-L291 HydrophobicContact CG2-CD1 3.47Å; I282-L291 VanDerWaalsContact CG2-CD1 3.47Å; I282-L291 HydrophobicContact CG2-CD2 4.2Å; I282-L291 HydrophobicContact CG2-CG 3.9Å; I282-T293 HydrophobicContact CG1-CG2 4.28Å; I282-T293 HydrophobicContact CG2-CG2 4.49Å |
| 283 | R | 68 | Low | 58.9 | Low | 32 Ų | 32 | 48 Ų | 48 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 135 | 158.7 | -63 | -67.4 | 170.3 | -135.4 | -7.7 | 110 | D24 M25 H193 D195 V281 F292 | D24-R283 IonicContact OD1-NE 3.71Å; D24-R283 IonicContact OD1-NH2 3.93Å; M25-R283 HydrophobicContact CB-CG 4.28Å; M25-R283 HydrophobicContact CE-CB 4.38Å; M25-R283 WeakPolarHBondContact O-CG 3.4Å; H193-R283 PolarHBondContact NE2-NH2 3.3Å; D195-R283 IonicContact OD1-NH1 3.48Å; V281-R283 HydrophobicContact CG1-CG 4.29Å; R283-F292 PolarHBondContact N-O 3.14Å; R283-F292 PolarHBondContact O-N 3.04Å |
| 284 | C | 59.8 | Low | 60.4 | Low | 21 Ų | 21 | 39.5 Ų | 39.5 | 14% | 0.142 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 152.4 | 169 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | D240 L291 M310 | D240-C284 WeakPolarHBondContact OD1-CB 3.38Å; D240-C284 PolarHBondContact OD1-SG 2.65Å; C284-L291 HydrophobicContact CB-CD1 4.23Å; C284-M310 WeakPolarHBondContact SG-CE 3.28Å |
| 285 | E | 62 | Low | 61.5 | Low | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 105.3 | 166.8 | -164.4 | -156.3 | 137.1 | 0 | 0 | 110.2 | A27 N287 C288 Q289 Q290 F292 | A27-E285 HydrophobicContact CB-CB 3.75Å; A27-E285 HydrophobicContact CB-CG 3.68Å; A27-E285 VanDerWaalsContact O-CD 3.23Å; E285-N287 PolarHBondContact O-N 2.75Å; E285-N287 VanDerWaalsContact O-N 3.09Å; E285-N287 WeakPolarHBondContact OE1-CB 3.44Å; E285-C288 PolarHBondContact O-N 2.89Å; E285-C288 PolarHBondContact OE1-N 3.19Å; E285-C288 PolarHBondContact OE1-SG 2.97Å; E285-Q289 PolarHBondContact O-N 3.2Å; E285-Q290 PolarHBondContact N-O 2.95Å; E285-F292 HydrophobicContact CB-CD2 4.34Å; E285-F292 HydrophobicContact CB-CE2 3.91Å; E285-F292 WeakPolarHBondContact OE2-CE2 3.42Å |
| 286 | G | 54 | Low | 62.7 | Low | 26 Ų | 26 | 31 Ų | 31 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D240 | D240-G286 VanDerWaalsContact CG-CA 3.41Å; D240-G286 VanDerWaalsContact CG-N 3.31Å; D240-G286 PolarHBondContact OD1-N 3.47Å; D240-G286 VanDerWaalsContact OD2-CA 3.26Å; D240-G286 WeakPolarHBondContact OD2-CA 3.28Å; D240-G286 PolarHBondContact OD2-N 3.34Å |
| 287 | N | 53.1 | Low | 63.3 | Low | 130 Ų | 130 | 31.2 Ų | 31.2 | 70% | 0.695 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -55.6 | 177 | -75.7 | -23.5 | 0 | 0 | 0 | 112.4 | K28 E285 Q289 | K28-N287 PolarHBondContact O-ND2 2.88Å; E285-N287 PolarHBondContact O-N 2.75Å; E285-N287 VanDerWaalsContact O-N 3.09Å; E285-N287 WeakPolarHBondContact OE1-CB 3.44Å; N287-Q289 PolarHBondContact O-N 2.95Å |
| 288 | C | 54 | Low | 63.8 | Low | 69 Ų | 69 | 30.6 Ų | 30.6 | 47% | 0.466 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -5.6 | -170.4 | -72.9 | 0 | 0 | 0 | 0 | 115.9 | E285 Q290 | E285-C288 PolarHBondContact O-N 2.89Å; E285-C288 PolarHBondContact OE1-N 3.19Å; E285-C288 PolarHBondContact OE1-SG 2.97Å; C288-Q290 HydrophobicContact CB-CB 4.32Å; C288-Q290 HydrophobicContact CB-CG 4.36Å; C288-Q290 PolarHBondContact O-N 2.94Å |
| 289 | Q | 64.6 | Low | 64 | Low | 56 Ų | 56 | 32.3 Ų | 32.3 | 26% | 0.262 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42.3 | -170.1 | -72.9 | -70.2 | -63.3 | 0 | 0 | 111.8 | H239 E285 N287 M310 | H239-Q289 PolarHBondContact NE2-NE2 2.83Å; E285-Q289 PolarHBondContact O-N 3.2Å; N287-Q289 PolarHBondContact O-N 2.95Å; Q289-M310 VanDerWaalsContact C-CG 3.45Å; Q289-M310 VanDerWaalsContact C-SD 3.52Å; Q289-M310 HydrophobicContact CB-CB 4.39Å; Q289-M310 WeakPolarHBondContact O-CB 3.28Å; Q289-M310 WeakPolarHBondContact O-CG 3.47Å; Q289-M310 PolarHBondContact O-N 3.22Å |
| 290 | Q | 65.5 | Low | 64.4 | Low | 68 Ų | 68 | 34.7 Ų | 34.7 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.4 | 177.1 | -73 | -175.5 | 37.8 | 0 | 0 | 110.4 | E285 C288 F292 S307 | E285-Q290 PolarHBondContact N-O 2.95Å; C288-Q290 HydrophobicContact CB-CB 4.32Å; C288-Q290 HydrophobicContact CB-CG 4.36Å; C288-Q290 PolarHBondContact O-N 2.94Å; Q290-F292 HydrophobicContact CB-CE2 3.91Å; Q290-F292 HydrophobicContact CB-CZ 4.07Å; Q290-S307 VanDerWaalsContact CD-OG 3.29Å; Q290-S307 WeakPolarHBondContact CG-OG 3.34Å; Q290-S307 PolarHBondContact OE1-OG 3.49Å |
| 291 | L | 69.4 | Low | 64.3 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.4 | 173.2 | -171.9 | 74.8 | 0 | 0 | 0 | 108.4 | Y246 L253 I282 C284 T293 S307 V308 M310 L313 | Y246-L291 HydrophobicContact CD1-CD1 4.38Å; Y246-L291 HydrophobicContact CD1-CD2 3.59Å; Y246-L291 HydrophobicContact CD2-CD1 3.41Å; Y246-L291 VanDerWaalsContact CD2-CD1 3.41Å; Y246-L291 HydrophobicContact CD2-CD2 4.17Å; Y246-L291 HydrophobicContact CD2-CG 4.42Å; Y246-L291 HydrophobicContact CE1-CD2 4.05Å; Y246-L291 HydrophobicContact CE2-CD1 3.76Å; Y246-L291 HydrophobicContact CG-CD1 3.75Å; Y246-L291 HydrophobicContact CG-CD2 3.67Å; Y246-L291 HydrophobicContact CG-CG 4.37Å; L253-L291 HydrophobicContact CD1-CD2 4.11Å; L253-L291 HydrophobicContact CD2-CD2 3.64Å; L253-L291 HydrophobicContact CG-CD2 4.47Å; I282-L291 HydrophobicContact CG2-CD1 3.47Å; I282-L291 VanDerWaalsContact CG2-CD1 3.47Å; I282-L291 HydrophobicContact CG2-CD2 4.2Å; I282-L291 HydrophobicContact CG2-CG 3.9Å; C284-L291 HydrophobicContact CB-CD1 4.23Å; L291-T293 HydrophobicContact CD2-CG2 4.27Å; L291-T293 HydrophobicContact CG-CG2 4.41Å; L291-S307 WeakPolarHBondContact O-CA 3.3Å; L291-V308 HydrophobicContact CB-CB 4.36Å; L291-V308 PolarHBondContact N-O 3.27Å; L291-V308 PolarHBondContact O-N 2.86Å; L291-M310 HydrophobicContact CB-CG 4.09Å; L291-L313 HydrophobicContact CD2-CD1 4.31Å |
| 292 | F | 70.5 | Confident | 64.4 | Low | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.2 | 176.9 | -61.2 | -91.7 | 0 | 0 | 0 | 109.3 | I9 M25 A27 C31 R283 E285 Q290 V305 L306 | I9-F292 HydrophobicContact CD1-CD1 3.97Å; I9-F292 HydrophobicContact CD1-CE1 3.55Å; M25-F292 HydrophobicContact CE-CB 3.39Å; M25-F292 WeakPolarHBondContact CE-O 3.48Å; M25-F292 HydrophobicContact SD-CB 3.67Å; M25-F292 HydrophobicContact SD-CG 4.48Å; A27-F292 HydrophobicContact CB-CD2 4.06Å; A27-F292 HydrophobicContact CB-CE2 4.03Å; C31-F292 HydrophobicContact CB-CE1 4.03Å; C31-F292 HydrophobicContact CB-CZ 4.14Å; C31-F292 VanDerWaalsContact SG-CD1 3.56Å; C31-F292 VanDerWaalsContact SG-CE1 3.57Å; R283-F292 PolarHBondContact N-O 3.14Å; R283-F292 PolarHBondContact O-N 3.04Å; E285-F292 HydrophobicContact CB-CD2 4.34Å; E285-F292 HydrophobicContact CB-CE2 3.91Å; E285-F292 WeakPolarHBondContact OE2-CE2 3.42Å; Q290-F292 HydrophobicContact CB-CE2 3.91Å; Q290-F292 HydrophobicContact CB-CZ 4.07Å; F292-V305 HydrophobicContact CD1-CG1 3.86Å; F292-L306 WeakPolarHBondContact CA-O 3.49Å |
| 293 | T | 70 | Confident | 64.5 | Low | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.6 | 171.7 | 70.1 | 0 | 0 | 0 | 0 | 109.8 | L253 W269 I282 L291 C295 L306 | L253-T293 HydrophobicContact CD1-CG2 4.23Å; L253-T293 HydrophobicContact CD2-CG2 4.37Å; W269-T293 HydrophobicContact CH2-CG2 4.43Å; I282-T293 HydrophobicContact CG1-CG2 4.28Å; I282-T293 HydrophobicContact CG2-CG2 4.49Å; L291-T293 HydrophobicContact CD2-CG2 4.27Å; L291-T293 HydrophobicContact CG-CG2 4.41Å; T293-C295 PolarHBondContact O-SG 2.9Å; T293-C295 VanDerWaalsContact O-SG 3.34Å; T293-L306 PolarHBondContact N-O 3.42Å; T293-L306 PolarHBondContact O-N 3.36Å |
| 294 | L | 73.4 | Confident | 64.6 | Low | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.8 | -176 | 178.3 | 152.3 | 0 | 0 | 0 | 109.4 | A23 M25 V33 V279 R280 V281 L303 | A23-L294 HydrophobicContact CB-CD1 3.88Å; A23-L294 HydrophobicContact CB-CD2 3.57Å; A23-L294 HydrophobicContact CB-CG 4.39Å; M25-L294 HydrophobicContact CB-CD1 4.22Å; M25-L294 HydrophobicContact CE-CB 3.73Å; M25-L294 HydrophobicContact SD-CB 4.19Å; M25-L294 HydrophobicContact SD-CD1 4.23Å; V33-L294 HydrophobicContact CB-CD1 4.31Å; V33-L294 HydrophobicContact CG1-CD1 3.5Å; V33-L294 VanDerWaalsContact CG1-CD1 3.5Å; V33-L294 HydrophobicContact CG2-CD1 3.89Å; V279-L294 HydrophobicContact CG1-CD2 3.79Å; R280-L294 VanDerWaalsContact CA-O 3.28Å; R280-L294 WeakPolarHBondContact CA-O 3.44Å; V281-L294 HydrophobicContact CB-CB 4.47Å; V281-L294 PolarHBondContact N-O 2.83Å; V281-L294 PolarHBondContact O-N 3.29Å; L294-L303 HydrophobicContact CD1-CD2 4.13Å; L294-L303 HydrophobicContact CD2-CD1 3.52Å; L294-L303 HydrophobicContact CD2-CD2 4.21Å; L294-L303 HydrophobicContact CD2-CG 4.27Å; L294-L303 HydrophobicContact CG-CD1 3.96Å; L294-L303 HydrophobicContact CG-CD2 4.15Å; L294-L303 HydrophobicContact CG-CG 4.22Å |
| 295 | C | 71 | Confident | 65.2 | Low | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.1 | -161.5 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | W276 V279 R280 T293 L303 C304 | W276-C295 HydrophobicContact CB-CB 4.31Å; W276-C295 HydrophobicContact CD2-CB 4.33Å; W276-C295 HydrophobicContact CE3-CB 4.43Å; W276-C295 HydrophobicContact CG-CB 4.29Å; V279-C295 WeakPolarHBondContact O-CA 3.28Å; R280-C295 PolarHBondContact NH1-SG 2.88Å; T293-C295 PolarHBondContact O-SG 2.9Å; T293-C295 VanDerWaalsContact O-SG 3.34Å; C295-L303 WeakPolarHBondContact O-CA 3.44Å; C295-C304 PolarHBondContact N-O 2.88Å; C295-C304 PolarHBondContact O-N 2.89Å |
| 296 | L | 69 | Low | 65.7 | Low | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.8 | 176.1 | -173.8 | 67.7 | 0 | 0 | 0 | 112 | I20 L278 V279 L303 | I20-L296 HydrophobicContact CB-CD1 4.37Å; I20-L296 HydrophobicContact CB-CD2 4.06Å; I20-L296 HydrophobicContact CD1-CD1 4.19Å; I20-L296 HydrophobicContact CG2-CD2 4.49Å; I20-L296 WeakPolarHBondContact O-CD2 3.44Å; L278-L296 HydrophobicContact CB-CD2 4.19Å; V279-L296 HydrophobicContact CB-CB 3.76Å; V279-L296 HydrophobicContact CG2-CB 4Å; V279-L296 HydrophobicContact CG2-CD2 3.81Å; V279-L296 PolarHBondContact O-N 2.94Å; V279-L296 VanDerWaalsContact O-N 3.08Å; L296-L303 HydrophobicContact CB-CD1 3.91Å; L296-L303 HydrophobicContact CD1-CB 4.33Å; L296-L303 HydrophobicContact CD1-CD1 4.08Å |
| 297 | Q | 67.5 | Low | 66.5 | Low | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | trans | -87.3 | 142.5 | 166 | -118.6 | 179.4 | -29 | 0 | 0 | 110.5 | C275 W276 T300 S301 E302 | C275-Q297 WeakPolarHBondContact O-CG 3.35Å; W276-Q297 HydrophobicContact CD2-CG 3.93Å; W276-Q297 HydrophobicContact CE3-CB 3.61Å; W276-Q297 HydrophobicContact CE3-CG 3.43Å; W276-Q297 VanDerWaalsContact CE3-CG 3.43Å; W276-Q297 HydrophobicContact CG-CG 4.42Å; W276-Q297 HydrophobicContact CZ3-CB 3.89Å; W276-Q297 HydrophobicContact CZ3-CG 3.84Å; W276-Q297 VanDerWaalsContact CZ3-OE1 3.25Å; Q297-T300 WeakPolarHBondContact CB-OG1 3.39Å; Q297-T300 PolarHBondContact OE1-OG1 3.23Å; Q297-S301 VanDerWaalsContact O-CA 3.3Å; Q297-S301 WeakPolarHBondContact O-CA 3.42Å; Q297-S301 PolarHBondContact O-N 2.88Å; Q297-E302 PolarHBondContact N-O 2.99Å; Q297-E302 VanDerWaalsContact N-O 3.08Å | ||
| 298 | P | 59.7 | Low | 67.2 | Low | 48 Ų | 48 | 26.3 Ų | 26.3 | 31% | 0.312 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -56.6 | -178.8 | 1.1 | 15.6 | 0 | 0 | 0 | 110 | P277 L278 T300 S301 | P277-P298 VanDerWaalsContact CD-CD 3.49Å; P277-P298 HydrophobicContact CG-CG 3.84Å; L278-P298 HydrophobicContact CD1-CB 3.78Å; L278-P298 HydrophobicContact CD1-CG 3.77Å; P298-T300 VanDerWaalsContact C-N 3.27Å; P298-T300 PolarHBondContact O-N 2.93Å; P298-S301 PolarHBondContact O-N 2.87Å |
| 299 | D | 60.7 | Low | 67.8 | Low | 144 Ų | 144 | 23.6 Ų | 23.6 | 77% | 0.77 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.2 | -165.4 | -34.2 | -30.9 | 0 | 0 | 0 | 113 | ||
| 300 | T | 62.1 | Low | 67.9 | Low | 62 Ų | 62 | 20.9 Ų | 20.9 | 38% | 0.38 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -14.5 | -180 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | Q297 P298 E302 | Q297-T300 WeakPolarHBondContact CB-OG1 3.39Å; Q297-T300 PolarHBondContact OE1-OG1 3.23Å; P298-T300 VanDerWaalsContact C-N 3.27Å; P298-T300 PolarHBondContact O-N 2.93Å; T300-E302 PolarHBondContact O-N 2.97Å; T300-E302 WeakPolarHBondContact OG1-CB 3.09Å; T300-E302 PolarHBondContact OG1-N 3.47Å; T300-E302 VanDerWaalsContact OG1-N 3.16Å |
| 301 | S | 63.5 | Low | 67.8 | Low | 20 Ų | 20 | 23.7 Ų | 23.7 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | trans | 49.8 | 18.8 | -162.9 | -65 | 0 | 0 | 0 | 0 | 114.5 | T14 Q297 P298 L303 | T14-S301 VanDerWaalsContact OG1-CB 3.28Å; T14-S301 WeakPolarHBondContact OG1-CB 3.35Å; Q297-S301 VanDerWaalsContact O-CA 3.3Å; Q297-S301 WeakPolarHBondContact O-CA 3.42Å; Q297-S301 PolarHBondContact O-N 2.88Å; P298-S301 PolarHBondContact O-N 2.87Å; S301-L303 PolarHBondContact O-N 2.82Å | ||
| 302 | E | 66 | Low | 67.4 | Low | 36 Ų | 36 | 26.8 Ų | 26.8 | 17% | 0.168 | 15% | 0.147 | C | C | . | . | trans | -65.8 | 123.7 | 173.5 | -80.4 | 179.6 | -149.6 | 0 | 0 | 109.7 | K8 R274 Q297 T300 | K8-E302 IonicContact NZ-OE2 3.86Å; R274-E302 IonicContact CZ-OE2 2.75Å; R274-E302 IonicContact NH1-OE1 3.44Å; R274-E302 IonicContact NH1-OE2 3.52Å; R274-E302 PolarHBondContact NH1-OE2 3.08Å; R274-E302 IonicContact NH2-OE1 3.97Å; R274-E302 IonicContact NH2-OE2 2.71Å; Q297-E302 PolarHBondContact N-O 2.99Å; Q297-E302 VanDerWaalsContact N-O 3.08Å; T300-E302 PolarHBondContact O-N 2.97Å; T300-E302 WeakPolarHBondContact OG1-CB 3.09Å; T300-E302 PolarHBondContact OG1-N 3.47Å; T300-E302 VanDerWaalsContact OG1-N 3.16Å | ||
| 303 | L | 70.9 | Confident | 67.1 | Low | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.5 | 168.3 | -170 | 74 | 0 | 0 | 0 | 109.8 | S11 F12 I20 A23 V33 T35 L294 C295 L296 S301 | S11-L303 CarbonylContact C-O 3.37Å; S11-L303 VanDerWaalsContact CA-O 3.31Å; S11-L303 WeakPolarHBondContact CA-O 3.46Å; F12-L303 HydrophobicContact CD2-CB 4.27Å; F12-L303 HydrophobicContact CD2-CD2 4.15Å; F12-L303 HydrophobicContact CD2-CG 4.44Å; F12-L303 PolarHBondContact N-O 3.06Å; F12-L303 PolarHBondContact O-N 3.1Å; F12-L303 VanDerWaalsContact O-N 3.08Å; I20-L303 HydrophobicContact CD1-CB 4.24Å; I20-L303 HydrophobicContact CD1-CD2 4.45Å; A23-L303 HydrophobicContact CB-CD2 4.36Å; V33-L303 HydrophobicContact CG1-CD2 3.97Å; T35-L303 HydrophobicContact CG2-CD2 3.37Å; L294-L303 HydrophobicContact CD1-CD2 4.13Å; L294-L303 HydrophobicContact CD2-CD1 3.52Å; L294-L303 HydrophobicContact CD2-CD2 4.21Å; L294-L303 HydrophobicContact CD2-CG 4.27Å; L294-L303 HydrophobicContact CG-CD1 3.96Å; L294-L303 HydrophobicContact CG-CD2 4.15Å; L294-L303 HydrophobicContact CG-CG 4.22Å; C295-L303 WeakPolarHBondContact O-CA 3.44Å; L296-L303 HydrophobicContact CB-CD1 3.91Å; L296-L303 HydrophobicContact CD1-CB 4.33Å; L296-L303 HydrophobicContact CD1-CD1 4.08Å; S301-L303 PolarHBondContact O-N 2.82Å |
| 304 | C | 71 | Confident | 66.6 | Low | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.9 | 177.9 | -70.4 | 0 | 0 | 0 | 0 | 112 | K8 S10 W276 C295 | K8-C304 WeakPolarHBondContact CE-SG 3.41Å; S10-C304 WeakPolarHBondContact O-CA 3.45Å; W276-C304 HydrophobicContact CH2-CB 4.1Å; W276-C304 WeakPolarHBondContact CH2-SG 3.42Å; W276-C304 HydrophobicContact CZ3-CB 4.02Å; W276-C304 WeakPolarHBondContact CZ3-SG 3.22Å; C295-C304 PolarHBondContact N-O 2.88Å; C295-C304 PolarHBondContact O-N 2.89Å |
| 305 | V | 72.3 | Confident | 65.8 | Low | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 110.4 | 165 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | I9 S10 F12 M25 V33 F292 | I9-V305 HydrophobicContact CD1-CG1 4.22Å; I9-V305 PolarHBondContact N-O 3.41Å; S10-V305 PolarHBondContact O-N 2.84Å; F12-V305 HydrophobicContact CE2-CG2 3.75Å; F12-V305 HydrophobicContact CZ-CG2 4.27Å; M25-V305 HydrophobicContact SD-CG1 4.34Å; V33-V305 HydrophobicContact CG2-CG2 3.81Å; F292-V305 HydrophobicContact CD1-CG1 3.86Å |
| 306 | L | 71.2 | Confident | 64.7 | Low | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.8 | 170.2 | -52.8 | 176 | 0 | 0 | 0 | 107.8 | C7 K8 W269 L272 F292 T293 | C7-L306 WeakPolarHBondContact O-CA 3.29Å; K8-L306 HydrophobicContact CB-CD2 3.85Å; K8-L306 HydrophobicContact CG-CD2 4.3Å; W269-L306 HydrophobicContact CE3-CD1 4.31Å; W269-L306 HydrophobicContact CZ3-CD1 3.7Å; L272-L306 HydrophobicContact CD1-CD1 4.39Å; F292-L306 WeakPolarHBondContact CA-O 3.49Å; T293-L306 PolarHBondContact N-O 3.42Å; T293-L306 PolarHBondContact O-N 3.36Å |
| 307 | S | 70.8 | Confident | 63.3 | Low | 8 Ų | 8 | 34.3 Ų | 34.3 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.2 | 163.2 | 164.9 | 0 | 0 | 0 | 0 | 109.1 | A6 C7 Q290 L291 | A6-S307 CarbonylContact C-O 3.56Å; A6-S307 WeakPolarHBondContact CA-O 3.28Å; C7-S307 PolarHBondContact N-O 3.46Å; C7-S307 PolarHBondContact O-N 3Å; Q290-S307 VanDerWaalsContact CD-OG 3.29Å; Q290-S307 WeakPolarHBondContact CG-OG 3.34Å; Q290-S307 PolarHBondContact OE1-OG 3.49Å; L291-S307 WeakPolarHBondContact O-CA 3.3Å |
| 308 | V | 69.3 | Low | 61.7 | Low | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.1 | 169 | -174.9 | 0 | 0 | 0 | 0 | 107.6 | M5 A6 L253 L291 M310 L313 | M5-V308 WeakPolarHBondContact O-CA 3.25Å; M5-V308 WeakPolarHBondContact O-CG1 3.37Å; A6-V308 HydrophobicContact CB-CG2 3.95Å; L253-V308 HydrophobicContact CD2-CG2 4.45Å; L291-V308 HydrophobicContact CB-CB 4.36Å; L291-V308 PolarHBondContact N-O 3.27Å; L291-V308 PolarHBondContact O-N 2.86Å; V308-M310 PolarHBondContact O-N 3.45Å; V308-L313 HydrophobicContact CG1-CD1 3.79Å; V308-L313 HydrophobicContact CG1-CD2 4.04Å; V308-L313 HydrophobicContact CG1-CG 4Å |
| 309 | G | 65.3 | Low | 60.5 | Low | 12 Ų | 12 | 45.3 Ų | 45.3 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 119.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | H311 L312 | G309-H311 PolarHBondContact O-N 2.9Å; G309-L312 VanDerWaalsContact O-CB 3.29Å; G309-L312 WeakPolarHBondContact O-CB 3.19Å; G309-L312 PolarHBondContact O-N 2.8Å |
| 310 | M | 66.9 | Low | 59 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -67.8 | -27.3 | -171.5 | -62 | 177.6 | 77.9 | 0 | 0 | 112.1 | H239 Y246 C284 Q289 L291 V308 L312 L313 L316 | H239-M310 HydrophobicContact CB-CE 4.46Å; Y246-M310 HydrophobicContact CE2-CE 3.58Å; Y246-M310 WeakPolarHBondContact OH-CE 3.43Å; C284-M310 WeakPolarHBondContact SG-CE 3.28Å; Q289-M310 VanDerWaalsContact C-CG 3.45Å; Q289-M310 VanDerWaalsContact C-SD 3.52Å; Q289-M310 HydrophobicContact CB-CB 4.39Å; Q289-M310 WeakPolarHBondContact O-CB 3.28Å; Q289-M310 WeakPolarHBondContact O-CG 3.47Å; Q289-M310 PolarHBondContact O-N 3.22Å; L291-M310 HydrophobicContact CB-CG 4.09Å; V308-M310 PolarHBondContact O-N 3.45Å; M310-L312 PolarHBondContact O-N 3.41Å; M310-L313 WeakPolarHBondContact O-CB 3.38Å; M310-L313 PolarHBondContact O-N 3.29Å; M310-L316 HydrophobicContact CB-CD1 3.73Å; M310-L316 VanDerWaalsContact O-CD1 3.22Å; M310-L316 WeakPolarHBondContact O-CD1 3.29Å |
| 311 | H | 63.3 | Low | 57.3 | Low | 127 Ų | 127 | 42.6 Ų | 42.6 | 59% | 0.588 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -59.6 | -12.4 | 169.2 | 63.9 | -92.9 | 0 | 0 | 0 | 114.5 | G309 | G309-H311 PolarHBondContact O-N 2.9Š|
| 312 | L | 60.1 | Low | 55.8 | Low | 65 Ų | 65 | 47.4 Ų | 47.4 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -94.1 | 1.8 | 174.1 | -52.5 | 174.7 | 0 | 0 | 0 | 112.8 | M5 H265 G309 M310 | M5-L312 HydrophobicContact CB-CD1 4.3Å; M5-L312 HydrophobicContact CG-CB 4.27Å; M5-L312 HydrophobicContact CG-CD1 4.15Å; M5-L312 HydrophobicContact SD-CB 4.41Å; H265-L312 PolarHBondContact CE1-O 2.85Å; G309-L312 VanDerWaalsContact O-CB 3.29Å; G309-L312 WeakPolarHBondContact O-CB 3.19Å; G309-L312 PolarHBondContact O-N 2.8Å; M310-L312 PolarHBondContact O-N 3.41Å |
| 313 | L | 64.3 | Low | 53.9 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -120.9 | 107.3 | -175.4 | -59.5 | 179.6 | 0 | 0 | 0 | 110 | Y246 V255 H265 L291 V308 M310 L316 | Y246-L313 HydrophobicContact CD1-CD1 4.37Å; Y246-L313 HydrophobicContact CE1-CD1 3.65Å; V255-L313 HydrophobicContact CG2-CB 4.17Å; V255-L313 HydrophobicContact CG2-CD1 4.17Å; V255-L313 HydrophobicContact CG2-CD2 4.05Å; V255-L313 HydrophobicContact CG2-CG 4.36Å; H265-L313 HydrophobicContact CB-CD2 4.48Å; L291-L313 HydrophobicContact CD2-CD1 4.31Å; V308-L313 HydrophobicContact CG1-CD1 3.79Å; V308-L313 HydrophobicContact CG1-CD2 4.04Å; V308-L313 HydrophobicContact CG1-CG 4Å; M310-L313 WeakPolarHBondContact O-CB 3.38Å; M310-L313 PolarHBondContact O-N 3.29Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 2.71Å |
| 314 | A | 59.5 | Low | 51.9 | Low | 20 Ų | 20 | 56.1 Ų | 56.1 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 142 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V255 Y264 H265 | V255-A314 WeakPolarHBondContact CG1-O 3.38Å; Y264-A314 WeakPolarHBondContact CB-O 3.27Å; Y264-A314 HydrophobicContact CG-CB 4.44Å; H265-A314 PolarHBondContact CD2-N 3.49Å; H265-A314 PolarHBondContact NE2-N 3.34Å |
| 315 | P | 57 | Low | 49.9 | Very low | 35 Ų | 35 | 64.4 Ų | 64.4 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -90 | 3.6 | 25.5 | 32.7 | -33.2 | 0 | 0 | 0 | 116.6 | L243 C244 Y264 T317 | L243-P315 VanDerWaalsContact O-CG 3.28Å; L243-P315 WeakPolarHBondContact O-CG 3.28Å; C244-P315 HydrophobicContact CB-CG 3.98Å; Y264-P315 HydrophobicContact CD2-CB 3.98Å; Y264-P315 HydrophobicContact CD2-CG 4.05Å; Y264-P315 HydrophobicContact CE2-CB 3.58Å; Y264-P315 HydrophobicContact CE2-CG 3.83Å; P315-T317 CarbonylContact O-C 3.58Å; P315-T317 PolarHBondContact O-N 2.9Å |
| 316 | L | 48.8 | Very low | 47.9 | Very low | 46 Ų | 46 | 70.3 Ų | 70.3 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -61.8 | -7.4 | -171 | -69.8 | 161.8 | 0 | 0 | 0 | 115.5 | L243 M310 L313 S318 | L243-L316 HydrophobicContact CD1-CD2 3.8Å; M310-L316 HydrophobicContact CB-CD1 3.73Å; M310-L316 VanDerWaalsContact O-CD1 3.22Å; M310-L316 WeakPolarHBondContact O-CD1 3.29Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 2.71Å; L316-S318 PolarHBondContact O-N 3.26Å |
| 317 | T | 38.8 | Very low | 45.8 | Very low | 69 Ų | 69 | 75 Ų | 75 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | trans | -92.9 | 77.2 | 168.3 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | P315 K319 I322 | P315-T317 CarbonylContact O-C 3.58Å; P315-T317 PolarHBondContact O-N 2.9Å; T317-K319 PolarHBondContact O-N 2.97Å; T317-I322 HydrophobicContact CG2-CD1 4.15Å | ||
| 318 | S | 34.9 | Very low | 43.5 | Very low | 71 Ų | 71 | 81.5 Ų | 81.5 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | trans | -58.7 | 136.1 | 152 | 61.8 | 0 | 0 | 0 | 0 | 107.7 | L316 G320 | L316-S318 PolarHBondContact O-N 3.26Å; S318-G320 PolarHBondContact O-N 2.86Å | ||
| 319 | K | 33.4 | Very low | 41.4 | Very low | 223 Ų | 223 | 90.4 Ų | 90.4 | 97% | 0.97 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -75.5 | 31.6 | -173.3 | -73.4 | -174.8 | 171.3 | -178.3 | 0 | 114 | T317 | T317-K319 PolarHBondContact O-N 2.97Š|
| 320 | G | 29.1 | Very low | 39.6 | Very low | 54 Ų | 54 | 99.3 Ų | 99.3 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -121.6 | -50.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S318 | S318-G320 PolarHBondContact O-N 2.86Š|
| 321 | D | 27.9 | Very low | 37.5 | Very low | 95 Ų | 95 | 106 Ų | 106 | 51% | 0.508 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -94.9 | 0.3 | -157.4 | -76.1 | -64.1 | 0 | 0 | 0 | 117.2 | L323 S324 | D321-L323 PolarHBondContact O-N 2.67Å; D321-L323 VanDerWaalsContact O-N 3.09Å; D321-S324 WeakPolarHBondContact CA-OG 3.44Å; D321-S324 WeakPolarHBondContact CB-OG 3.43Å; D321-S324 PolarHBondContact O-N 2.91Å; D321-S324 VanDerWaalsContact O-N 3.07Å; D321-S324 PolarHBondContact O-OG 3.27Å; D321-S324 PolarHBondContact OD1-OG 2.76Å |
| 322 | I | 30.2 | Very low | 35.8 | Very low | 121 Ų | 121 | 103.1 Ų | 103.1 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -68.7 | -10.9 | -179.8 | -62.4 | 177.5 | 0 | 0 | 0 | 112.4 | T317 | T317-I322 HydrophobicContact CG2-CD1 4.15Š|
| 323 | L | 26.4 | Very low | 34 | Very low | 159 Ų | 159 | 105.4 Ų | 105.4 | 83% | 0.832 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -103.7 | -9.1 | 172.4 | -68.2 | 173.4 | 0 | 0 | 0 | 114.4 | D321 | D321-L323 PolarHBondContact O-N 2.67Å; D321-L323 VanDerWaalsContact O-N 3.09Å |
| 324 | S | 29.3 | Very low | 32.2 | Very low | 60 Ų | 60 | 115.1 Ų | 115.1 | 42% | 0.42 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.2 | -33.2 | -177.1 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | D321 | D321-S324 WeakPolarHBondContact CA-OG 3.44Å; D321-S324 WeakPolarHBondContact CB-OG 3.43Å; D321-S324 PolarHBondContact O-N 2.91Å; D321-S324 VanDerWaalsContact O-N 3.07Å; D321-S324 PolarHBondContact O-OG 3.27Å; D321-S324 PolarHBondContact OD1-OG 2.76Å |
| 325 | Q | 28.8 | Very low | 30.4 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -95.5 | 1.5 | -171.6 | -111.8 | 178.5 | 1.7 | 0 | 0 | 116.6 | ||
| 326 | V | 30.6 | Very low | 29.2 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 76% | 0.758 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -100.4 | -8 | -178.3 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 327 | C | 26.6 | Very low | 28 | Very low | 108 Ų | 108 | 132 Ų | 132 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -102.1 | -5 | -173.4 | -66.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 328 | D | 23.3 | Very low | 27.5 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -127.4 | 31.4 | -166.8 | -110.6 | -39.7 | 0 | 0 | 0 | 115.1 | ||||
| 329 | E | 24.5 | Very low | 27.2 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -102.6 | 129.5 | 154.8 | -72.8 | -148.7 | 129 | 0 | 0 | 110.6 | ||
| 330 | K | 26.9 | Very low | 26.6 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 139.5 | -165.1 | -68.1 | 176.1 | -179.1 | 173 | 0 | 112.1 | G332 | K330-G332 PolarHBondContact O-N 3.07Š| ||
| 331 | V | 24.2 | Very low | 26.3 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -52 | 101.7 | 171.8 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | T333 | V331-T333 HydrophobicContact CG1-CG2 4.43Š| ||
| 332 | G | 26.7 | Very low | 26 | Very low | 66 Ų | 66 | 146.4 Ų | 146.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -101.7 | 105.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K330 F334 | K330-G332 PolarHBondContact O-N 3.07Å; G332-F334 PolarHBondContact O-N 3.3Å | ||
| 333 | T | 22.9 | Very low | 26 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -65.6 | 117.8 | -176.6 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | V331 | V331-T333 HydrophobicContact CG1-CG2 4.43Š| ||
| 334 | F | 26.8 | Very low | 25.9 | Very low | 205 Ų | 205 | 146.4 Ų | 146.4 | 90% | 0.899 | 80% | 0.797 | S | S | * | * | trans | -141.3 | 108.1 | 160.5 | -96.8 | -78.8 | 0 | 0 | 0 | 109.8 | G332 | G332-F334 PolarHBondContact O-N 3.3Š| ||
| 335 | D | 22.3 | Very low | 25.7 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -81.8 | 113.8 | 175.5 | -58.7 | -71 | 0 | 0 | 0 | 111 | ||||
| 336 | S | 30.8 | Very low | 25.5 | Very low | 115 Ų | 115 | 149 Ų | 149 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -162.2 | 117.2 | 153.2 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 337 | E | 24.7 | Very low | 25.2 | Very low | 181 Ų | 181 | 154 Ų | 154 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -57.5 | 179.2 | -168.7 | -52.7 | 173.7 | 127.1 | 0 | 0 | 118.6 | ||||
| 338 | L | 27.7 | Very low | 25.1 | Very low | 156 Ų | 156 | 155.9 Ų | 155.9 | 82% | 0.817 | 83% | 0.826 | S | S | * | * | trans | 93.7 | 139 | 161 | -56.5 | -174.1 | 0 | 0 | 0 | 117.2 | ||||
| 339 | P | 27.9 | Very low | 25.2 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | -135.2 | 172 | -96 | 35.1 | -15.7 | 0 | 0 | 0 | 116.5 | |||||
| 340 | L | 21.5 | Very low | 25.1 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -68.9 | 130 | 173.5 | -70.9 | 158.4 | 0 | 0 | 0 | 112.6 | ||||
| 341 | C | 23.4 | Very low | 25.2 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -132.5 | 130.4 | 158.6 | -82.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 342 | R | 21.5 | Very low | 25.1 | Very low | 245 Ų | 245 | 152.6 Ų | 152.6 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -122.5 | 156 | 161.9 | -93.6 | -169.9 | 175.3 | 178.7 | 1.3 | 109 | ||||
| 343 | P | 29.6 | Very low | 25.3 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -102.7 | 152.8 | -135.8 | 36.8 | -36.5 | 0 | 0 | 0 | 115 | ||||
| 344 | D | 23.2 | Very low | 25.3 | Very low | 158 Ų | 158 | 156.8 Ų | 156.8 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | -102 | 135.8 | 171.7 | -91.4 | -47.6 | 0 | 0 | 0 | 113.5 | ||||
| 345 | S | 25.1 | Very low | 25.5 | Very low | 100 Ų | 100 | 152 Ų | 152 | 70% | 0.699 | 83% | 0.831 | S | S | * | * | trans | 35.2 | 106.8 | 153.4 | 64.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 346 | L | 26.4 | Very low | 25.5 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 98% | 0.979 | 83% | 0.831 | S | S | * | * | -123.7 | 145.1 | 125.8 | -77 | 178.4 | 0 | 0 | 0 | 109 | |||||
| 347 | R | 22.8 | Very low | 25.3 | Very low | 230 Ų | 230 | 155.2 Ų | 155.2 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | trans | -140.7 | 159.3 | -170.4 | -134 | -177.6 | -170.9 | -177.5 | 3.3 | 109.2 | ||||
| 348 | L | 24.7 | Very low | 25.4 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | 69.2 | 146.7 | -178.1 | -82 | 64.2 | 0 | 0 | 0 | 114.1 | ||||
| 349 | N | 25.2 | Very low | 25.3 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | cis | -116.6 | 155.7 | 2.6 | -79 | -55.5 | 0 | 0 | 0 | 112.6 | ||||
| 350 | A | 23.5 | Very low | 25.1 | Very low | 87 Ų | 87 | 154.9 Ų | 154.9 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | trans | -110.2 | 152 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 351 | Y | 28.2 | Very low | 25.4 | Very low | 225 Ų | 225 | 152 Ų | 152 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -149.7 | 123.3 | 164.9 | -94.5 | -77.7 | 0 | 0 | 0 | 108.4 | ||||
| 352 | D | 23.2 | Very low | 25.4 | Very low | 160 Ų | 160 | 157.2 Ų | 157.2 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | -90 | 145.4 | 172.5 | -57 | -64.9 | 0 | 0 | 0 | 110.6 | ||||
| 353 | A | 29.4 | Very low | 25.5 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -167.6 | 130.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 354 | D | 23.3 | Very low | 25.5 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -74.9 | 147.8 | -174.4 | -48.6 | -89.3 | 0 | 0 | 0 | 114.7 | ||||
| 355 | A | 30.4 | Very low | 25.5 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -156.7 | 127.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 356 | E | 23.3 | Very low | 25.7 | Very low | 182 Ų | 182 | 156.1 Ų | 156.1 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 170.3 | -177 | -67.5 | -167.6 | 114.7 | 0 | 0 | 114.7 | ||||
| 357 | L | 25.7 | Very low | 25.7 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 101.9 | 143.4 | 156.7 | -57.9 | 177.7 | 0 | 0 | 0 | 118 | ||||
| 358 | P | 28.1 | Very low | 26 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -129.6 | 162.3 | -136.5 | 40.2 | -25.4 | 0 | 0 | 0 | 115.8 | ||||
| 359 | K | 24.9 | Very low | 26.2 | Very low | 199 Ų | 199 | 150.5 Ų | 150.5 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -162 | 119.6 | 147.2 | -106 | 138.7 | -171.2 | 173.4 | 0 | 114.4 | ||||
| 360 | V | 23.3 | Very low | 26.4 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | 43.2 | 92.9 | 141.5 | -166.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 361 | S | 27.4 | Very low | 26.7 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | -150.3 | 138.6 | 127.3 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 362 | R | 23.6 | Very low | 27 | Very low | 237 Ų | 237 | 147.5 Ų | 147.5 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | -100.8 | 100.5 | -177.8 | -79.3 | -179.4 | 173.7 | 166.5 | -2.1 | 110.3 | ||||
| 363 | T | 25 | Very low | 27.6 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -109 | 105.8 | 157.4 | 41.7 | 0 | 0 | 0 | 0 | 108.3 | T365 | T363-T365 PolarHBondContact O-N 2.57Š| ||
| 364 | R | 27.7 | Very low | 27.7 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 101.8 | 174.6 | -81.3 | -174.6 | 169.5 | 174.4 | -7.9 | 109.5 | F366 | R364-F366 HydrophobicContact CB-CD2 4.06Å; R364-F366 HydrophobicContact CB-CE2 4.03Å; R364-F366 HydrophobicContact CG-CE2 4.41Å; R364-F366 PolarHBondContact O-N 3.21Å | ||
| 365 | T | 24.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -71 | 108.1 | 158.2 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | T363 | T363-T365 PolarHBondContact O-N 2.57Š| ||
| 366 | F | 28.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 146 Ų | 146 | 64% | 0.64 | 77% | 0.768 | S | S | * | * | trans | -99 | 95.4 | 172.3 | -87 | -68.7 | 0 | 0 | 0 | 109.8 | R364 | R364-F366 HydrophobicContact CB-CD2 4.06Å; R364-F366 HydrophobicContact CB-CE2 4.03Å; R364-F366 HydrophobicContact CG-CE2 4.41Å; R364-F366 PolarHBondContact O-N 3.21Å | ||
| 367 | D | 26.1 | Very low | 29 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -91.3 | 151.5 | 155.5 | -68.5 | -55.3 | 0 | 0 | 0 | 109.3 | ||||
| 368 | N | 28.8 | Very low | 29.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | 61.5 | 72.8 | 166.3 | -56.3 | -36 | 0 | 0 | 0 | 118.4 | ||||
| 369 | I | 29.1 | Very low | 29.7 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -129.5 | 144.5 | 143.7 | -62.3 | -175.6 | 0 | 0 | 0 | 108.4 | ||||
| 370 | A | 29.4 | Very low | 30 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -67.1 | 141.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E372 | A370-E372 PolarHBondContact O-N 3.02Å; A370-E372 VanDerWaalsContact O-N 3.09Å | ||
| 371 | S | 30.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 70.8 | -176.6 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 372 | E | 34.6 | Very low | 30.2 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.2 | -19.7 | 169.5 | -126.2 | 164.3 | -137.9 | 0 | 0 | 115.3 | A370 | A370-E372 PolarHBondContact O-N 3.02Å; A370-E372 VanDerWaalsContact O-N 3.09Å |
| 373 | Q | 36.2 | Very low | 30.4 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -99.3 | 0.3 | -179.8 | -69.2 | -174.8 | -39.8 | 0 | 0 | 115 | S375 | Q373-S375 PolarHBondContact O-N 2.77Š|
| 374 | L | 31.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 63% | 0.634 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -80.2 | -13.2 | -172.4 | -128.1 | 88.4 | 0 | 0 | 0 | 114.9 | D376 L378 | L374-D376 VanDerWaalsContact C-N 3.35Å; L374-D376 PolarHBondContact O-N 2.87Å; L374-L378 HydrophobicContact CD2-CD1 4.43Å; L374-L378 WeakPolarHBondContact O-CD1 3.43Å; L374-L378 VanDerWaalsContact O-CG 3.25Å; L374-L378 WeakPolarHBondContact O-CG 3.39Å; L374-L378 PolarHBondContact O-N 2.67Å |
| 375 | S | 36.7 | Very low | 30.6 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -64.3 | -38.6 | -175.5 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | Q373 | Q373-S375 PolarHBondContact O-N 2.77Å |
| 376 | D | 33.9 | Very low | 31 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -87.9 | -37.9 | -164.5 | -68.8 | 17.6 | 0 | 0 | 0 | 111.2 | L374 L378 S379 | L374-D376 VanDerWaalsContact C-N 3.35Å; L374-D376 PolarHBondContact O-N 2.87Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.41Å; D376-S379 VanDerWaalsContact O-CB 3.28Å; D376-S379 WeakPolarHBondContact O-CB 3.28Å; D376-S379 PolarHBondContact O-N 3.26Å; D376-S379 VanDerWaalsContact O-N 3.1Å; D376-S379 PolarHBondContact O-OG 3.22Å |
| 377 | E | 33.5 | Very low | 31.4 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.2 | -26.6 | 171.9 | -66.3 | -155 | 151.4 | 0 | 0 | 112.7 | S379 A380 | E377-S379 PolarHBondContact O-N 3.17Å; E377-A380 WeakPolarHBondContact O-CB 3.41Å; E377-A380 PolarHBondContact O-N 3.03Å; E377-A380 VanDerWaalsContact O-N 3.1Å |
| 378 | L | 34.4 | Very low | 31.8 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 57% | 0.565 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -63.9 | -20.8 | 170.5 | -77.6 | 172.3 | 0 | 0 | 0 | 112.9 | L374 D376 A380 F381 | L374-L378 HydrophobicContact CD2-CD1 4.43Å; L374-L378 WeakPolarHBondContact O-CD1 3.43Å; L374-L378 VanDerWaalsContact O-CG 3.25Å; L374-L378 WeakPolarHBondContact O-CG 3.39Å; L374-L378 PolarHBondContact O-N 2.67Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.41Å; L378-A380 VanDerWaalsContact C-N 3.26Å; L378-A380 PolarHBondContact O-N 3.13Å; L378-F381 PolarHBondContact O-N 2.95Å |
| 379 | S | 34.9 | Very low | 32.3 | Very low | 82 Ų | 82 | 127 Ų | 127 | 57% | 0.573 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -68.1 | -26.2 | 173.7 | 78.6 | 0 | 0 | 0 | 0 | 113 | D376 E377 F381 | D376-S379 VanDerWaalsContact O-CB 3.28Å; D376-S379 WeakPolarHBondContact O-CB 3.28Å; D376-S379 PolarHBondContact O-N 3.26Å; D376-S379 VanDerWaalsContact O-N 3.1Å; D376-S379 PolarHBondContact O-OG 3.22Å; E377-S379 PolarHBondContact O-N 3.17Å; S379-F381 VanDerWaalsContact C-N 3.29Å; S379-F381 PolarHBondContact O-N 2.93Å |
| 380 | A | 31.3 | Very low | 32.5 | Very low | 78 Ų | 78 | 124.6 Ų | 124.6 | 65% | 0.645 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -76 | -15 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E377 L378 | E377-A380 WeakPolarHBondContact O-CB 3.41Å; E377-A380 PolarHBondContact O-N 3.03Å; E377-A380 VanDerWaalsContact O-N 3.1Å; L378-A380 VanDerWaalsContact C-N 3.26Å; L378-A380 PolarHBondContact O-N 3.13Å |
| 381 | F | 27.7 | Very low | 32.6 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -102.2 | 23 | 179.3 | -72.9 | -78.8 | 0 | 0 | 0 | 114 | L378 S379 | L378-F381 PolarHBondContact O-N 2.95Å; S379-F381 VanDerWaalsContact C-N 3.29Å; S379-F381 PolarHBondContact O-N 2.93Å |
| 382 | R | 26.1 | Very low | 32.9 | Very low | 203 Ų | 203 | 122.7 Ų | 122.7 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -67.7 | 136.8 | 156.4 | -70.4 | -173.3 | 174.7 | -165.5 | -0.8 | 109 | S384 | R382-S384 VanDerWaalsContact C-N 3.31Å; R382-S384 PolarHBondContact O-N 3.25Å |
| 383 | P | 27.6 | Very low | 32.7 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 60% | 0.604 | 65% | 0.645 | S | S | * | * | trans | -62.8 | 92 | 167.7 | -21.4 | 33.6 | 0 | 0 | 0 | 110.1 | R385 S386 | P383-R385 PolarHBondContact O-N 2.73Å; P383-S386 PolarHBondContact O-N 3.29Å | ||
| 384 | S | 25.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 88% | 0.881 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 24 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | R382 | R382-S384 VanDerWaalsContact C-N 3.31Å; R382-S384 PolarHBondContact O-N 3.25Å |
| 385 | R | 32.5 | Very low | 32.7 | Very low | 195 Ų | 195 | 116 Ų | 116 | 74% | 0.736 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.1 | 31.3 | 172.7 | -144.7 | -177.1 | -163.5 | -139.9 | 2.7 | 113 | P383 L387 | P383-R385 PolarHBondContact O-N 2.73Å; R385-L387 VanDerWaalsContact C-N 3.26Å; R385-L387 PolarHBondContact O-N 3.3Å |
| 386 | S | 31.6 | Very low | 32.3 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | trans | -54.5 | 98.9 | 155 | 61.2 | 0 | 0 | 0 | 0 | 107.6 | P383 Q388 | P383-S386 PolarHBondContact O-N 3.29Å; S386-Q388 PolarHBondContact O-N 2.71Å | ||
| 387 | L | 36.7 | Very low | 31.9 | Very low | 80 Ų | 80 | 117.5 Ų | 117.5 | 42% | 0.419 | 65% | 0.653 | S | S | . | * | trans | -58.4 | 138.9 | -177.8 | -81.8 | 161.7 | 0 | 0 | 0 | 108.3 | R385 R389 | R385-L387 VanDerWaalsContact C-N 3.26Å; R385-L387 PolarHBondContact O-N 3.3Å; L387-R389 HydrophobicContact CB-CG 3.57Å; L387-R389 PolarHBondContact O-N 2.69Å | ||
| 388 | Q | 34.5 | Very low | 31.5 | Very low | 205 Ų | 205 | 115.2 Ų | 115.2 | 96% | 0.958 | 65% | 0.65 | S | S | * | * | trans | -74.6 | 53.9 | 169.3 | -68.6 | -174.3 | -19.7 | 0 | 0 | 109.6 | S386 | S386-Q388 PolarHBondContact O-N 2.71Š| ||
| 389 | R | 40 | Very low | 31 | Very low | 41 Ų | 41 | 118.4 Ų | 118.4 | 16% | 0.155 | 67% | 0.668 | C | S | . | * | P | Polyproline II helix | trans | -60.1 | 138.6 | 175.4 | -56.9 | -164 | -179.2 | -90.3 | 8.4 | 108.1 | D216 E218 L387 P391 | D216-R389 VanDerWaalsContact CG-NH1 3.28Å; D216-R389 IonicContact OD1-NH1 2.78Å; D216-R389 PolarHBondContact OD1-NH1 2.89Å; D216-R389 IonicContact OD2-CZ 3.22Å; D216-R389 IonicContact OD2-NH1 2.74Å; D216-R389 PolarHBondContact OD2-NH1 3.34Å; D216-R389 IonicContact OD2-NH2 3.65Å; D216-R389 PolarHBondContact OD2-NH2 2.82Å; E218-R389 WeakPolarHBondContact OE2-CD 3.2Å; E218-R389 VanDerWaalsContact OE2-CG 3.24Å; E218-R389 WeakPolarHBondContact OE2-CG 3Å; E218-R389 IonicContact OE2-CZ 3.7Å; E218-R389 IonicContact OE2-NE 3.92Å; E218-R389 IonicContact OE2-NH1 2.73Å; E218-R389 PolarHBondContact OE2-NH1 2.87Å; L387-R389 HydrophobicContact CB-CG 3.57Å; L387-R389 PolarHBondContact O-N 2.69Å; R389-P391 WeakPolarHBondContact O-CD 3.37Å |
| 390 | T | 32.9 | Very low | 30.5 | Very low | 103 Ų | 103 | 118 Ų | 118 | 63% | 0.632 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 122.9 | 166.7 | 31.4 | 0 | 0 | 0 | 0 | 108.1 | E218 | E218-T390 PolarHBondContact OE1-OG1 2.68Š|
| 391 | P | 32.9 | Very low | 30.2 | Very low | 111 Ų | 111 | 119 Ų | 119 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.7 | 177.1 | 25.3 | -33.6 | 0 | 0 | 0 | 109 | R389 | R389-P391 WeakPolarHBondContact O-CD 3.37Š|
| 392 | P | 35.7 | Very low | 30.1 | Very low | 54 Ų | 54 | 116.3 Ų | 116.3 | 35% | 0.351 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 141.6 | 178.2 | 23.3 | -33.1 | 0 | 0 | 0 | 109.8 | G199 S394 | G199-P392 WeakPolarHBondContact O-CD 3.44Å; P392-S394 PolarHBondContact O-N 3.32Å |
| 393 | P | 30.9 | Very low | 30 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 118.8 | -172.1 | 21.6 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 394 | S | 31.4 | Very low | 29.9 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 140.4 | -161.9 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | P392 T396 | P392-S394 PolarHBondContact O-N 3.32Å; S394-T396 VanDerWaalsContact C-N 3.26Å; S394-T396 PolarHBondContact O-N 2.71Å |
| 395 | V | 36.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -75.1 | 79.6 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | V397 | V395-V397 HydrophobicContact CG1-CG2 4.28Å; V395-V397 PolarHBondContact O-N 3.02Å | ||
| 396 | T | 26.8 | Very low | 29.8 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | trans | -70.8 | 93 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | S394 T398 | S394-T396 VanDerWaalsContact C-N 3.26Å; S394-T396 PolarHBondContact O-N 2.71Å; T396-T398 PolarHBondContact O-N 3.09Å | ||
| 397 | V | 25.9 | Very low | 29.9 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -72.5 | 77 | 169.1 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | V395 | V395-V397 HydrophobicContact CG1-CG2 4.28Å; V395-V397 PolarHBondContact O-N 3.02Å | ||
| 398 | T | 25.3 | Very low | 29.6 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 66% | 0.656 | 68% | 0.684 | S | S | * | * | trans | -90.9 | 130.9 | 169.6 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | T396 A400 | T396-T398 PolarHBondContact O-N 3.09Å; T398-A400 PolarHBondContact O-N 2.87Å | ||
| 399 | N | 23.7 | Very low | 29.3 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 94% | 0.936 | 68% | 0.682 | S | S | * | * | trans | -67.3 | 92.2 | -179.8 | -80.1 | -38.5 | 0 | 0 | 0 | 111.1 | ||||
| 400 | A | 24.7 | Very low | 28.8 | Very low | 73 Ų | 73 | 120.3 Ų | 120.3 | 60% | 0.603 | 71% | 0.706 | S | S | * | * | trans | -130.5 | 86.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T398 | T398-A400 PolarHBondContact O-N 2.87Š| ||
| 401 | A | 25.6 | Very low | 28.8 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -57.1 | 142.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 402 | S | 25.2 | Very low | 28.4 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 71.2 | 57.6 | -179 | -51.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 403 | R | 24.2 | Very low | 28.1 | Very low | 235 Ų | 235 | 123.2 Ų | 123.2 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | trans | -165.6 | 102 | 136.2 | -102.9 | 156.6 | -154 | -152.8 | 5.3 | 111.5 | F405 | R403-F405 PolarHBondContact O-N 3.27Š| ||
| 404 | T | 26 | Very low | 27.8 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -68.2 | 122.8 | 165.3 | 42.2 | 0 | 0 | 0 | 0 | 109.4 | S406 | T404-S406 VanDerWaalsContact C-N 3.33Å; T404-S406 PolarHBondContact O-N 3.25Å | ||
| 405 | F | 25.6 | Very low | 27.5 | Very low | 217 Ų | 217 | 127.3 Ų | 127.3 | 95% | 0.952 | 73% | 0.726 | S | S | * | * | trans | -79.3 | 86.2 | 173.8 | -128.4 | -84.1 | 0 | 0 | 0 | 109.1 | R403 L407 | R403-F405 PolarHBondContact O-N 3.27Å; F405-L407 PolarHBondContact O-N 3.16Å | ||
| 406 | S | 29.5 | Very low | 27 | Very low | 50 Ų | 50 | 126.9 Ų | 126.9 | 35% | 0.35 | 73% | 0.729 | S | S | . | * | trans | -68.2 | 112.7 | -168.4 | -74.4 | 0 | 0 | 0 | 0 | 113.7 | T404 E408 | T404-S406 VanDerWaalsContact C-N 3.33Å; T404-S406 PolarHBondContact O-N 3.25Å; S406-E408 WeakPolarHBondContact CB-OE2 3.46Å; S406-E408 PolarHBondContact O-N 3.16Å; S406-E408 PolarHBondContact OG-OE2 3.43Å | ||
| 407 | L | 34.6 | Very low | 26.9 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 40.9 | 159.7 | -163.1 | 79.7 | 0 | 0 | 0 | 111.4 | F405 | F405-L407 PolarHBondContact O-N 3.16Š|
| 408 | E | 30.4 | Very low | 26.9 | Very low | 89 Ų | 89 | 127 Ų | 127 | 42% | 0.416 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.1 | -35 | -169.5 | -55.8 | 168.8 | 147 | 0 | 0 | 109.9 | R133 S406 G410 | R133-E408 IonicContact NH1-OE1 2.67Å; R133-E408 PolarHBondContact NH1-OE1 2.93Å; S406-E408 WeakPolarHBondContact CB-OE2 3.46Å; S406-E408 PolarHBondContact O-N 3.16Å; S406-E408 PolarHBondContact OG-OE2 3.43Å; E408-G410 PolarHBondContact O-N 2.75Å |
| 409 | Q | 28.2 | Very low | 27.1 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 11 | 178.8 | -64.6 | -169.7 | -18.4 | 0 | 0 | 115.2 | ||
| 410 | G | 29.5 | Very low | 27.3 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -4.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E408 | E408-G410 PolarHBondContact O-N 2.75Š|
| 411 | L | 31.4 | Very low | 27.4 | Very low | 80 Ų | 80 | 139 Ų | 139 | 42% | 0.419 | 76% | 0.763 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132 | -8.3 | -169.8 | -69.2 | 173.1 | 0 | 0 | 0 | 115.7 | V139 K178 S413 | V139-L411 HydrophobicContact CG1-CD1 4.25Å; K178-L411 VanDerWaalsContact NZ-CD2 3.29Å; L411-S413 PolarHBondContact O-N 2.82Å |
| 412 | D | 25.3 | Very low | 27.5 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 46.8 | 177 | -76.5 | -22.4 | 0 | 0 | 0 | 113.7 | ||
| 413 | S | 28.3 | Very low | 27.6 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 7.8 | -179.1 | 61.3 | 0 | 0 | 0 | 0 | 115 | L411 | L411-S413 PolarHBondContact O-N 2.82Š|
| 414 | H | 25.6 | Very low | 28 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -141.9 | 69.8 | 175.5 | -87.7 | -70.5 | 0 | 0 | 0 | 113.8 | ||
| 415 | C | 25.4 | Very low | 28 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -148.9 | 40.1 | 166.6 | -159.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 416 | S | 25.9 | Very low | 28.2 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -150.1 | 40.9 | -174.6 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 417 | S | 25 | Very low | 28.1 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -146.9 | 51.2 | 178.7 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 418 | C | 25.2 | Very low | 27.8 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -131.8 | 67.5 | 173.4 | -61.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 419 | Q | 29.8 | Very low | 27.6 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -136.3 | 127.5 | 164.2 | -79.1 | -172.3 | -31.2 | 0 | 0 | 108.8 | ||||
| 420 | D | 27.7 | Very low | 27.5 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -66 | 141.7 | -176.2 | -62.5 | -73.3 | 0 | 0 | 0 | 112.5 | ||||
| 421 | R | 26.4 | Very low | 27.6 | Very low | 252 Ų | 252 | 144 Ų | 144 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -94.5 | 99.8 | 169.6 | -76.9 | -174.7 | 172.8 | -176 | -1.4 | 110.4 | ||||
| 422 | S | 28.5 | Very low | 27.2 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -113.2 | 146.9 | 148 | 55.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 423 | N | 28 | Very low | 27.2 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -76.8 | 145.5 | -175 | -61.6 | -42.6 | 0 | 0 | 0 | 110.8 | ||||
| 424 | D | 31.1 | Very low | 27 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | -160.7 | 166.6 | 102.2 | -122.5 | -33.6 | 0 | 0 | 0 | 114.6 | |||||
| 425 | Q | 26.5 | Very low | 27.2 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -99 | 137.3 | -174.6 | -56.7 | 175.2 | -3.8 | 0 | 0 | 113 | ||||
| 426 | K | 30.1 | Very low | 27.4 | Very low | 203 Ų | 203 | 148.9 Ų | 148.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | 177.3 | 161.9 | 115.6 | -96.6 | 158.1 | -174.1 | 169.5 | 0 | 115.2 | |||||
| 427 | A | 26.8 | Very low | 27.6 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -60.8 | 151 | -172 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 428 | G | 28.2 | Very low | 27.9 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | -152.3 | 134.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 429 | F | 26.6 | Very low | 28.1 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -95.5 | 162.5 | -172.4 | -99.7 | -99.6 | 0 | 0 | 0 | 113.4 | ||||
| 430 | S | 27.1 | Very low | 28.1 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | 90.4 | 127.6 | 140.4 | 72.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 431 | Q | 29.9 | Very low | 28.1 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | 78.5 | 108.6 | 136.4 | -72.6 | -177.3 | 24.1 | 0 | 0 | 123 | ||||
| 432 | L | 24.1 | Very low | 28.6 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | 51.2 | 114.4 | 116.8 | -60.3 | 172 | 0 | 0 | 0 | 119.8 | |||||
| 433 | R | 25.9 | Very low | 28.5 | Very low | 236 Ų | 236 | 140.6 Ų | 140.6 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | -165.4 | 142.7 | 110.5 | -103.1 | 165.4 | -163.9 | -168.7 | 4.5 | 112.2 | |||||
| 434 | C | 23 | Very low | 28.7 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -137.4 | 127.5 | 167.3 | -77.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 435 | S | 30.4 | Very low | 28.7 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 178.1 | 148.3 | -175.5 | 48.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 436 | S | 30.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | cis | 179 | 147.9 | -11.2 | 46.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 437 | S | 29 | Very low | 29.1 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | cis | -179.9 | 114.6 | -23.8 | 45.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 438 | S | 32.3 | Very low | 29.1 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -157.5 | 128.1 | 166.7 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 439 | S | 28.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | cis | 91.6 | 92.9 | 16.8 | 90.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 440 | L | 30.8 | Very low | 29.2 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | -132.4 | 138 | 138.1 | -84.9 | 176.5 | 0 | 0 | 0 | 107.5 | ||||
| 441 | A | 27.2 | Very low | 29.2 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -145.3 | 156.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 442 | V | 36.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -133 | 113.3 | 164.6 | 178.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 443 | D | 25.9 | Very low | 29.7 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -74.9 | 159.7 | 172.5 | -75.9 | -71.1 | 0 | 0 | 0 | 111.3 | ||||
| 444 | L | 31.8 | Very low | 30 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | -170.8 | 126.8 | 113 | -95.5 | 160.2 | 0 | 0 | 0 | 112.6 | |||||
| 445 | D | 31.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 71.8 | 155.8 | 149.7 | -65.4 | -23.4 | 0 | 0 | 0 | 125 | ||||
| 446 | K | 25.9 | Very low | 30.2 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -139.4 | -160.6 | 179.7 | -56.5 | 171.7 | 174.3 | 163.7 | 0 | 105.7 | ||||
| 447 | P | 38.6 | Very low | 30.4 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -133.8 | 173.3 | -20.7 | 24.2 | -0.3 | 0 | 0 | 0 | 115.5 | ||||
| 448 | K | 27.7 | Very low | 30.5 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | 62.7 | 126.7 | 144 | -78.5 | 177.8 | 177.8 | -175.4 | 0 | 123 | ||||
| 449 | M | 24.9 | Very low | 30.5 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | 59.6 | 119.5 | 135.1 | -66.2 | 179.6 | 65.8 | 0 | 0 | 121.6 | ||||
| 450 | L | 32.1 | Very low | 30.6 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | -147.6 | 174.7 | 114.8 | -140 | 83.1 | 0 | 0 | 0 | 111 | |||||
| 451 | E | 27.7 | Very low | 30.6 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -137.9 | 144.8 | -165.4 | 170 | -169.4 | -146 | 0 | 0 | 110.7 | ||||
| 452 | R | 30.6 | Very low | 30.7 | Very low | 212 Ų | 212 | 144.6 Ų | 144.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -174.3 | 128.1 | 148.9 | -111.7 | 177.9 | 177.5 | -158.9 | -1.6 | 115.6 | ||||
| 453 | Q | 32.9 | Very low | 30.5 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 60% | 0.603 | 79% | 0.786 | S | S | * | * | trans | 59 | 142.8 | 138.5 | -71.3 | 179.8 | 23 | 0 | 0 | 119.9 | ||||
| 454 | K | 32.7 | Very low | 30.8 | Very low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | cis | -149.4 | 160.5 | -0.3 | -95.7 | 141.7 | 175.4 | 161.2 | 0 | 106.5 | ||||
| 455 | G | 30 | Very low | 31 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -177.2 | -177.8 | 1.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 456 | A | 27.4 | Very low | 31 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | -149.8 | 147.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 457 | A | 33.5 | Very low | 31.3 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -166.7 | 127.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 458 | T | 32.5 | Very low | 31 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | 65.2 | 139.6 | 66.1 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 459 | S | 30.8 | Very low | 31.2 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | cis | -162.8 | 152.5 | 11.4 | -164.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 460 | T | 31.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 68% | 0.681 | 80% | 0.799 | S | S | * | * | trans | 55.1 | 128.5 | 143.1 | 46.4 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 461 | R | 30.3 | Very low | 31.9 | Very low | 247 Ų | 247 | 140.2 Ų | 140.2 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | 67.8 | 138.5 | 129.6 | -70.2 | 177 | 170.9 | 178.4 | -2.8 | 122.8 | |||||
| 462 | G | 29.1 | Very low | 32.1 | Very low | 62 Ų | 62 | 140.4 Ų | 140.4 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 169.4 | 79 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 463 | F | 33.5 | Very low | 31.9 | Very low | 214 Ų | 214 | 135.2 Ų | 135.2 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | 58.9 | 179.1 | 155.7 | -57.7 | -82.9 | 0 | 0 | 0 | 120.5 | ||||
| 464 | A | 32.1 | Very low | 31.7 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | -168.2 | 160.1 | -76.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 465 | Q | 35.1 | Very low | 31.7 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | 73.5 | 148 | 171.1 | -56.9 | -176.4 | -1.3 | 0 | 0 | 117.2 | ||||
| 466 | G | 31.4 | Very low | 31.8 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | cis | -155.5 | 144.4 | 6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 467 | N | 33.7 | Very low | 31.6 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | trans | 51.5 | 117.7 | 142.6 | -58.5 | -15.2 | 0 | 0 | 0 | 122.3 | ||||
| 468 | G | 32.1 | Very low | 31.6 | Very low | 81 Ų | 81 | 147.5 Ų | 147.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -169.7 | 76.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L470 | G468-L470 PolarHBondContact O-N 3.21Š| ||
| 469 | R | 31.7 | Very low | 31.4 | Very low | 235 Ų | 235 | 146.7 Ų | 146.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -20.4 | 116.2 | 177.9 | -72.6 | 179.4 | 173.4 | -176.1 | -2.4 | 116.6 | ||||
| 470 | L | 31.1 | Very low | 31.1 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | 79.4 | 135 | 89.8 | -79.3 | 173.3 | 0 | 0 | 0 | 116.3 | G468 | G468-L470 PolarHBondContact O-N 3.21Š| |||
| 471 | P | 39.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -101.2 | 167.8 | -173.6 | 40.4 | -36.6 | 0 | 0 | 0 | 114.7 | ||||
| 472 | L | 32.2 | Very low | 31 | Very low | 176 Ų | 176 | 141 Ų | 141 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -147.6 | 165.7 | 161.6 | -108.8 | 171.3 | 0 | 0 | 0 | 110.8 | ||||
| 473 | S | 27.6 | Very low | 31 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -129.3 | 170.7 | -165.7 | 65.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 474 | S | 28.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 80.8 | 115.6 | 164.4 | 80.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 475 | R | 32.5 | Very low | 30.8 | Very low | 238 Ų | 238 | 142.3 Ų | 142.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | -172 | 105.3 | 122.8 | -97.6 | 169.1 | -174.4 | -153 | 0.6 | 106.7 | |||||
| 476 | K | 31.6 | Very low | 30.7 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | 71.8 | 107.6 | 76.3 | -78.6 | -164.7 | 171.3 | -171.6 | 0 | 113.6 | |||||
| 477 | S | 24.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 146.4 | 153.5 | 46.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 478 | M | 32.5 | Very low | 30.5 | Very low | 186 Ų | 186 | 140 Ų | 140 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -164.2 | 147 | 148.2 | -125.2 | -179.3 | 160 | 0 | 0 | 113.7 | ||||
| 479 | T | 27.9 | Very low | 30.5 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -63.6 | 164.5 | 166 | 43.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 480 | A | 26.3 | Very low | 30.4 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | cis | -175.1 | -158.9 | -12.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 481 | I | 31.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | trans | 114.4 | 115.7 | 152.7 | -60.1 | 162.1 | 0 | 0 | 0 | 117.8 | ||||
| 482 | S | 27.7 | Very low | 30.3 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 51.1 | 118.3 | 149.1 | 81.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 483 | S | 28.8 | Very low | 30.3 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | 99.8 | 155.9 | 74.3 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 484 | T | 29.1 | Very low | 30.3 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | cis | -149.3 | 176.8 | 19 | 38.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 485 | H | 31.2 | Very low | 30.5 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 148.3 | 162.1 | -58.2 | -60.4 | 0 | 0 | 0 | 118.4 | ||||
| 486 | S | 33.4 | Very low | 30.3 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | cis | -149.7 | 146.8 | 4.4 | 45.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 487 | E | 28.7 | Very low | 30.2 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | 67.8 | 144 | 150.1 | -72.3 | 176.5 | -179 | 0 | 0 | 119.3 | ||||
| 488 | P | 33.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 126 Ų | 126 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | -129.3 | 167.5 | 71.1 | 41.2 | -31.2 | 0 | 0 | 0 | 117.3 | |||||
| 489 | T | 32.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | trans | -145.4 | 164.9 | 175.9 | 46.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 490 | S | 29.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | cis | -178.5 | 116.6 | -38.4 | 54.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 491 | T | 34.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -175.1 | 146.8 | 168.1 | 35.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 492 | T | 33.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 83% | 0.828 | 75% | 0.748 | S | S | * | * | cis | -160.1 | 143 | -5.9 | 13 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 493 | G | 31.5 | Very low | 30.7 | Very low | 71 Ų | 71 | 125.4 Ų | 125.4 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 82.6 | 139.1 | 163 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 494 | D | 29.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | cis | -159.8 | 149 | -10.1 | -125.6 | -22.7 | 0 | 0 | 0 | 112.6 | ||||
| 495 | L | 31.6 | Very low | 31 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 49.7 | 118 | 164.3 | -48.9 | 176.4 | 0 | 0 | 0 | 119.5 | ||||
| 496 | S | 29.5 | Very low | 31.1 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | 79.3 | 137.5 | 43.9 | 85.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 497 | E | 29.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | cis | -147.4 | 141.4 | 13.9 | -85.7 | -155.7 | 89.5 | 0 | 0 | 112.3 | ||||
| 498 | V | 29.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | 86.5 | 151.5 | 97.1 | -176.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 499 | S | 23.8 | Very low | 31.1 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -123.4 | -154.1 | -166.9 | -50.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 500 | P | 41.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -136.8 | -177.1 | -115.4 | 42.2 | -20.6 | 0 | 0 | 0 | 119.3 | |||||
| 501 | V | 26.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | 75.8 | 119.2 | 159.8 | -174.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 502 | C | 29.7 | Very low | 30.5 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 86% | 0.858 | 77% | 0.766 | S | S | * | * | trans | 173.4 | 176.7 | 133.3 | -95 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 503 | L | 28.6 | Very low | 30.2 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | -160.3 | 156.6 | -91.2 | -121.8 | 177.4 | 0 | 0 | 0 | 113.3 | |||||
| 504 | G | 30.6 | Very low | 29.9 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 102.6 | 153.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 505 | R | 34.6 | Very low | 29.7 | Very low | 242 Ų | 242 | 129.2 Ų | 129.2 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | cis | -163.7 | 170.7 | 2.2 | -100.4 | -177.4 | 172.1 | -179.4 | -3 | 106.5 | ||||
| 506 | S | 33.8 | Very low | 29.6 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | cis | -175.8 | 168.1 | -17.9 | 54.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 507 | Q | 33.3 | Very low | 29.4 | Very low | 184 Ų | 184 | 132.3 Ų | 132.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | cis | -148.4 | -175.3 | 24.2 | -54.8 | -178.5 | 74 | 0 | 0 | 107.7 | ||||
| 508 | G | 29.9 | Very low | 29.6 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 146.4 | 157.3 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 509 | V | 30.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 73.2 | 144.9 | 165.7 | -165.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 510 | S | 27.4 | Very low | 29.4 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | cis | -171.7 | 145.4 | -41.2 | -167.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 511 | S | 28.4 | Very low | 28.7 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 66 | 109.8 | 145.8 | -64.3 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 512 | S | 26.9 | Very low | 28.6 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | 67.8 | 122.8 | 110.6 | -55.4 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 513 | K | 27.5 | Very low | 28.6 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | 95.1 | 135.7 | 128.2 | -100.2 | -179.4 | 177.8 | 176.6 | 0 | 124.2 | |||||
| 514 | V | 25.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 147 Ų | 147 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 93.5 | 100.3 | 147.1 | -177.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 515 | V | 25.6 | Very low | 28.3 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | 32.7 | 123.7 | 127.3 | -173.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 516 | L | 29.3 | Very low | 27.7 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | -164 | 163.7 | 116 | -130.1 | 105.9 | 0 | 0 | 0 | 115.6 | |||||
| 517 | N | 25.6 | Very low | 27.4 | Very low | 142 Ų | 142 | 144 Ų | 144 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -89.9 | 157.1 | -177.1 | -74.5 | -66 | 0 | 0 | 0 | 114.5 | ||||
| 518 | K | 32.1 | Very low | 27 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | trans | -159 | 156.8 | 132.9 | -113.2 | 159.6 | -172.6 | 173.1 | 0 | 114.5 | ||||
| 519 | K | 25.4 | Very low | 27.3 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -97.9 | 161.5 | -172.8 | -60.1 | 169.9 | 175.1 | 175 | 0 | 112.1 | ||||
| 520 | K | 23.7 | Very low | 27 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | 140.7 | 160 | 106.7 | -152.4 | 175 | -176.5 | -171.8 | 0 | 113.9 | |||||
| 521 | K | 28 | Very low | 26.9 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | 86 | 120 | -169.4 | -58.9 | 179.4 | 179.2 | -179 | 0 | 111.8 | ||||
| 522 | Q | 24.1 | Very low | 26.8 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | cis | 66.3 | 85.7 | 8.9 | -152.7 | -177.5 | 16.3 | 0 | 0 | 114.4 | ||||
| 523 | T | 28.9 | Very low | 26.9 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -138 | 135.6 | 160.8 | 37.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 524 | V | 23 | Very low | 26.7 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -79.7 | 143.5 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 525 | A | 29.4 | Very low | 26.8 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -142.1 | 87 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 526 | T | 23.6 | Very low | 26.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 121.6 | 169.4 | -53.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 527 | V | 26.9 | Very low | 26.7 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -137.2 | 101.2 | 164.3 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 528 | T | 25.1 | Very low | 26.6 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | -89.2 | 168.4 | 160.1 | 41.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 529 | P | 36.3 | Very low | 26.3 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -83.6 | 173.4 | -143.8 | 36.1 | -39.2 | 0 | 0 | 0 | 114.1 | ||||
| 530 | M | 24 | Very low | 26.2 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -162.9 | 143.1 | 142.7 | -106.7 | -67 | -90.1 | 0 | 0 | 113.3 | ||||
| 531 | S | 25.2 | Very low | 26.4 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 34.5 | 122.9 | 153.8 | 60 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 532 | S | 26 | Very low | 26.3 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 170.7 | 150.1 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 533 | P | 29.3 | Very low | 26.3 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | -139.8 | 172.4 | 99.7 | 36.6 | -22.9 | 0 | 0 | 0 | 115.5 | |||||
| 534 | S | 24.1 | Very low | 26.3 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -62.9 | 164.5 | 178.4 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 535 | S | 26.8 | Very low | 26.9 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -171.2 | 158 | 46.4 | 73.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 536 | K | 25 | Very low | 27.2 | Very low | 194 Ų | 194 | 132 Ų | 132 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 56.3 | 102.7 | 148.7 | -67 | 167.3 | -178.3 | 177.8 | 0 | 119.3 | ||||
| 537 | Q | 28.6 | Very low | 27.7 | Very low | 204 Ų | 204 | 130.6 Ų | 130.6 | 95% | 0.953 | 75% | 0.754 | S | S | * | * | -140.3 | 150.1 | 98.7 | -106 | -177 | 5.5 | 0 | 0 | 109.5 | |||||
| 538 | A | 22.5 | Very low | 28.1 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -112.4 | 128.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 539 | M | 27.1 | Very low | 28.5 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | trans | -118.6 | 116.7 | 158.9 | -72.8 | -169.7 | 72.9 | 0 | 0 | 108.1 | T541 | M539-T541 PolarHBondContact O-N 3.42Å; M539-T541 VanDerWaalsContact O-N 3.07Å | ||
| 540 | S | 22.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -80.1 | 83.4 | -178.1 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | Q542 | S540-Q542 PolarHBondContact O-N 2.73Š| ||
| 541 | T | 27.1 | Very low | 29.2 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -74.8 | 100.9 | 165.3 | 40.7 | 0 | 0 | 0 | 0 | 109.5 | M539 A543 | M539-T541 PolarHBondContact O-N 3.42Å; M539-T541 VanDerWaalsContact O-N 3.07Å; T541-A543 PolarHBondContact O-N 3.17Å; T541-A543 VanDerWaalsContact O-N 3.14Å | ||
| 542 | Q | 25.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 123.1 Ų | 123.1 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -57.5 | 118.3 | 170 | -75.4 | 179.2 | -32.4 | 0 | 0 | 109.5 | S540 T544 | S540-Q542 PolarHBondContact O-N 2.73Å; Q542-T544 PolarHBondContact O-N 3.24Å | ||
| 543 | A | 25.2 | Very low | 30.4 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | trans | -75.9 | 72.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T541 R545 | T541-A543 PolarHBondContact O-N 3.17Å; T541-A543 VanDerWaalsContact O-N 3.14Å; A543-R545 PolarHBondContact O-N 2.94Å | ||
| 544 | T | 29.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | trans | -66.3 | 99.6 | 178.1 | 44.9 | 0 | 0 | 0 | 0 | 110.4 | Q542 K546 | Q542-T544 PolarHBondContact O-N 3.24Å; T544-K546 PolarHBondContact O-N 2.95Å | ||
| 545 | R | 35.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 38% | 0.381 | 64% | 0.639 | S | S | . | * | trans | -75.4 | 64.3 | -174.5 | -168.3 | 177.9 | 173.1 | -164.7 | -9 | 111.7 | A543 L547 L704 R705 S706 | A543-R545 PolarHBondContact O-N 2.94Å; R545-L547 PolarHBondContact O-N 3.19Å; R545-L704 PolarHBondContact NH2-O 3.04Å; R545-R705 PolarHBondContact NH2-O 2.67Å; R545-S706 PolarHBondContact NH2-O 3.18Å | ||
| 546 | K | 34 | Very low | 32.1 | Very low | 179 Ų | 179 | 120.4 Ų | 120.4 | 78% | 0.778 | 64% | 0.64 | S | S | * | * | trans | -60.4 | 121.9 | 173.2 | -76.3 | -164.5 | 171 | -168.5 | 0 | 110.6 | T544 | T544-K546 PolarHBondContact O-N 2.95Š| ||
| 547 | L | 34.2 | Very low | 32.5 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 45% | 0.45 | 63% | 0.634 | S | S | . | * | trans | -65.7 | 146.7 | 169.9 | -72.1 | 165.2 | 0 | 0 | 0 | 110.1 | R545 | R545-L547 PolarHBondContact O-N 3.19Š| ||
| 548 | V | 36.6 | Very low | 32.9 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 41% | 0.406 | 63% | 0.628 | S | S | . | * | trans | -120.5 | 111.8 | -177.9 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | E550 K707 | V548-E550 VanDerWaalsContact C-N 3.31Å; V548-E550 HydrophobicContact CG1-CB 3.67Å; V548-E550 PolarHBondContact O-N 2.72Å; V548-E550 VanDerWaalsContact O-N 3.15Å; V548-K707 PolarHBondContact N-O 3.42Å; V548-K707 VanDerWaalsContact N-O 3.16Å | ||
| 549 | H | 33.5 | Very low | 33.4 | Very low | 162 Ų | 162 | 115 Ų | 115 | 75% | 0.75 | 62% | 0.617 | S | S | * | * | trans | -80.7 | 75.5 | 166.5 | -84.7 | -77.8 | 0 | 0 | 0 | 110.1 | D709 | H549-D709 IonicContact CE1-OD2 3.4Å; H549-D709 PolarHBondContact CE1-OD2 3.08Å; H549-D709 IonicContact NE2-OD2 3.83Å | ||
| 550 | E | 37 | Very low | 33.7 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | trans | -147.9 | 155.7 | 175 | -148.8 | 175.9 | -137.4 | 0 | 0 | 111.4 | V548 S552 | V548-E550 VanDerWaalsContact C-N 3.31Å; V548-E550 HydrophobicContact CG1-CB 3.67Å; V548-E550 PolarHBondContact O-N 2.72Å; V548-E550 VanDerWaalsContact O-N 3.15Å; E550-S552 PolarHBondContact O-N 2.84Å | ||
| 551 | V | 37.4 | Very low | 34 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 62% | 0.624 | 62% | 0.621 | S | S | * | * | trans | -87.6 | 114.5 | -163.1 | -178 | 0 | 0 | 0 | 0 | 112.8 | I628 | V551-I628 HydrophobicContact CG1-CD1 4.16Š| ||
| 552 | S | 37.9 | Very low | 34 | Very low | 25 Ų | 25 | 121.5 Ų | 121.5 | 18% | 0.175 | 62% | 0.618 | C | S | . | * | trans | 54.3 | 124.6 | 157.4 | -60.1 | 0 | 0 | 0 | 0 | 119.1 | E550 L554 R635 | E550-S552 PolarHBondContact O-N 2.84Å; S552-L554 VanDerWaalsContact C-N 3.31Å; S552-L554 PolarHBondContact O-N 3.47Å; S552-L554 VanDerWaalsContact O-N 3.1Å; S552-R635 PolarHBondContact OG-NH2 3.13Å | ||
| 553 | P | 37.6 | Very low | 34.2 | Very low | 67 Ų | 67 | 116.9 Ų | 116.9 | 44% | 0.435 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.4 | -17.4 | -169.1 | 26.8 | -35.9 | 0 | 0 | 0 | 116.5 | V555 R556 | P553-V555 PolarHBondContact O-N 3.09Å; P553-V555 VanDerWaalsContact O-N 3.07Å; P553-R556 PolarHBondContact O-N 3.41Å; P553-R556 VanDerWaalsContact O-N 3.11Å |
| 554 | L | 40 | Very low | 34.3 | Very low | 49 Ų | 49 | 119.7 Ų | 119.7 | 26% | 0.257 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.7 | -31.2 | -175 | -86 | 160.7 | 0 | 0 | 0 | 114.3 | S552 R556 N557 V631 | S552-L554 VanDerWaalsContact C-N 3.31Å; S552-L554 PolarHBondContact O-N 3.47Å; S552-L554 VanDerWaalsContact O-N 3.1Å; L554-R556 PolarHBondContact O-N 2.64Å; L554-N557 PolarHBondContact O-N 3.14Å; L554-V631 HydrophobicContact CB-CG2 4.26Å; L554-V631 HydrophobicContact CD1-CG1 3.99Å |
| 555 | V | 41.4 | Very low | 34.3 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.9 | -30.1 | -179.3 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | P553 | P553-V555 PolarHBondContact O-N 3.09Å; P553-V555 VanDerWaalsContact O-N 3.07Å |
| 556 | R | 35.8 | Very low | 34.3 | Very low | 176 Ų | 176 | 121.8 Ų | 121.8 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75 | -25 | -174.2 | -84.9 | -175.3 | 167.7 | 87.3 | 2.9 | 114.9 | P553 L554 | P553-R556 PolarHBondContact O-N 3.41Å; P553-R556 VanDerWaalsContact O-N 3.11Å; L554-R556 PolarHBondContact O-N 2.64Å |
| 557 | N | 34.2 | Very low | 34.3 | Very low | 136 Ų | 136 | 117.6 Ų | 117.6 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -83.9 | -27 | -171.7 | -78.3 | -13.2 | 0 | 0 | 0 | 114.1 | L554 | L554-N557 PolarHBondContact O-N 3.14Å |
| 558 | Q | 35.9 | Very low | 34.3 | Very low | 175 Ų | 175 | 118.3 Ų | 118.3 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -80 | -25.6 | 174.7 | -66.3 | -173.3 | -3 | 0 | 0 | 112.8 | R560 R561 | Q558-R560 PolarHBondContact O-N 3.25Å; Q558-R560 VanDerWaalsContact O-N 3.07Å; Q558-R561 PolarHBondContact O-N 2.85Å |
| 559 | A | 32.7 | Very low | 34.1 | Very low | 70 Ų | 70 | 125 Ų | 125 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -65.7 | -10.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R561 | A559-R561 PolarHBondContact O-N 3.15Š|
| 560 | R | 33.9 | Very low | 34.2 | Very low | 229 Ų | 229 | 124 Ų | 124 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -81.7 | 13.6 | 178 | -73.6 | -170.2 | 170.5 | -162.5 | -2.6 | 114.9 | Q558 | Q558-R560 PolarHBondContact O-N 3.25Å; Q558-R560 VanDerWaalsContact O-N 3.07Å |
| 561 | R | 29.1 | Very low | 34.2 | Very low | 248 Ų | 248 | 122 Ų | 122 | 94% | 0.936 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -129.9 | 31 | 175.7 | -74.2 | -167.7 | 175.7 | -173.4 | 0.8 | 114.4 | Q558 A559 | Q558-R561 PolarHBondContact O-N 2.85Å; A559-R561 PolarHBondContact O-N 3.15Å |
| 562 | A | 27.6 | Very low | 34 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -139.8 | 141.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 563 | G | 29.2 | Very low | 33.8 | Very low | 72 Ų | 72 | 124.6 Ų | 124.6 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | trans | -90.1 | 124.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 564 | D | 27.7 | Very low | 33.6 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 57.1 | 161.6 | 164.5 | -61.7 | -46.6 | 0 | 0 | 0 | 119.9 | ||
| 565 | L | 29.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 69% | 0.685 | S | S | * | * | trans | 63 | 86 | -179.5 | -52.7 | 178.2 | 0 | 0 | 0 | 115.6 | ||||
| 566 | S | 34.9 | Very low | 32.8 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 58% | 0.58 | 69% | 0.686 | S | S | * | * | trans | -100.4 | 120.4 | 170.5 | 53 | 0 | 0 | 0 | 0 | 112.4 | V568 | S566-V568 PolarHBondContact O-N 3.45Š| ||
| 567 | P | 33.8 | Very low | 32.8 | Very low | 92 Ų | 92 | 132 Ų | 132 | 60% | 0.597 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -12.1 | -179.1 | 27.7 | -34.7 | 0 | 0 | 0 | 113.8 | R569 Q570 L571 | P567-R569 PolarHBondContact O-N 3.33Å; P567-R569 VanDerWaalsContact O-N 3.14Å; P567-Q570 PolarHBondContact O-N 3.13Å; P567-L571 PolarHBondContact O-N 2.89Å |
| 568 | V | 35 | Very low | 32.7 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 61% | 0.606 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -54.7 | -33 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | S566 Q570 L571 A572 | S566-V568 PolarHBondContact O-N 3.45Å; V568-Q570 PolarHBondContact O-N 3.48Å; V568-L571 PolarHBondContact O-N 3.48Å; V568-A572 PolarHBondContact O-N 3.38Å |
| 569 | R | 33.2 | Very low | 32.4 | Very low | 208 Ų | 208 | 126.8 Ų | 126.8 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70 | -24.7 | 176.7 | -95.8 | -176.8 | 169.6 | 173.5 | -3.3 | 114.5 | P567 | P567-R569 PolarHBondContact O-N 3.33Å; P567-R569 VanDerWaalsContact O-N 3.14Å |
| 570 | Q | 35.2 | Very low | 32.3 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -75.5 | -43.2 | 171.4 | -74.1 | 174.4 | -63.9 | 0 | 0 | 110.4 | P567 V568 A572 N573 E574 | P567-Q570 PolarHBondContact O-N 3.13Å; V568-Q570 PolarHBondContact O-N 3.48Å; Q570-A572 VanDerWaalsContact C-N 3.32Å; Q570-A572 PolarHBondContact O-N 2.81Å; Q570-N573 PolarHBondContact O-N 2.82Å; Q570-E574 PolarHBondContact O-N 2.8Å; Q570-E574 VanDerWaalsContact O-N 3.1Å |
| 571 | L | 35.5 | Very low | 31.9 | Very low | 81 Ų | 81 | 127 Ų | 127 | 42% | 0.424 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -55.9 | -44.9 | 179.5 | -141.4 | 102 | 0 | 0 | 0 | 112.2 | P567 V568 N573 E574 F575 L620 | P567-L571 PolarHBondContact O-N 2.89Å; V568-L571 PolarHBondContact O-N 3.48Å; L571-N573 VanDerWaalsContact C-N 3.32Å; L571-N573 PolarHBondContact O-N 3.38Å; L571-E574 PolarHBondContact O-N 3.24Å; L571-F575 HydrophobicContact CD2-CD2 4.3Å; L571-F575 HydrophobicContact CD2-CE2 4.05Å; L571-F575 HydrophobicContact CG-CD2 4.4Å; L571-F575 HydrophobicContact CG-CE2 4.35Å; L571-F575 WeakPolarHBondContact O-CD2 3.44Å; L571-F575 PolarHBondContact O-N 3Å; L571-F575 VanDerWaalsContact O-N 3.1Å; L571-L620 HydrophobicContact CD1-CD2 3.75Å; L571-L620 HydrophobicContact CD1-CG 4.46Å |
| 572 | A | 34.6 | Very low | 31.8 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 54% | 0.537 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -62.5 | -35.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V568 Q570 G576 | V568-A572 PolarHBondContact O-N 3.38Å; Q570-A572 VanDerWaalsContact C-N 3.32Å; Q570-A572 PolarHBondContact O-N 2.81Å; A572-G576 PolarHBondContact O-N 2.99Å |
| 573 | N | 33.8 | Very low | 31.6 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.6 | -29.3 | 177.5 | -77.1 | -10.7 | 0 | 0 | 0 | 112.7 | Q570 L571 R577 | Q570-N573 PolarHBondContact O-N 2.82Å; L571-N573 VanDerWaalsContact C-N 3.32Å; L571-N573 PolarHBondContact O-N 3.38Å; N573-R577 WeakPolarHBondContact O-CG 3.42Å; N573-R577 PolarHBondContact O-N 3.09Å |
| 574 | E | 34 | Very low | 31.6 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 60% | 0.598 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -76.8 | -46.5 | 176.7 | -60.5 | -132.1 | 121.9 | 0 | 0 | 111.7 | Q570 L571 G576 R577 L578 | Q570-E574 PolarHBondContact O-N 2.8Å; Q570-E574 VanDerWaalsContact O-N 3.1Å; L571-E574 PolarHBondContact O-N 3.24Å; E574-G576 VanDerWaalsContact C-N 3.28Å; E574-G576 PolarHBondContact O-N 3.21Å; E574-R577 WeakPolarHBondContact O-CB 3.42Å; E574-R577 PolarHBondContact O-N 3.18Å; E574-L578 PolarHBondContact O-N 3.33Å; E574-L578 VanDerWaalsContact O-N 3.13Å |
| 575 | F | 30.2 | Very low | 31.5 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 64% | 0.64 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -60.2 | -38.5 | 171.9 | -85.4 | -80.4 | 0 | 0 | 0 | 112.1 | L571 R577 L578 G579 | L571-F575 HydrophobicContact CD2-CD2 4.3Å; L571-F575 HydrophobicContact CD2-CE2 4.05Å; L571-F575 HydrophobicContact CG-CD2 4.4Å; L571-F575 HydrophobicContact CG-CE2 4.35Å; L571-F575 WeakPolarHBondContact O-CD2 3.44Å; L571-F575 PolarHBondContact O-N 3Å; L571-F575 VanDerWaalsContact O-N 3.1Å; F575-R577 VanDerWaalsContact C-N 3.27Å; F575-R577 PolarHBondContact O-N 3.25Å; F575-L578 PolarHBondContact O-N 3.03Å; F575-G579 PolarHBondContact O-N 3.25Å; F575-G579 VanDerWaalsContact O-N 3.12Å |
| 576 | G | 33.7 | Very low | 31.4 | Very low | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -62 | -29 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A572 E574 | A572-G576 PolarHBondContact O-N 2.99Å; E574-G576 VanDerWaalsContact C-N 3.28Å; E574-G576 PolarHBondContact O-N 3.21Å |
| 577 | R | 35.2 | Very low | 30.8 | Very low | 210 Ų | 210 | 124.4 Ų | 124.4 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -77.5 | -32.8 | 173.7 | -78.8 | 177.2 | 169.7 | -157.3 | -4.6 | 113.1 | N573 E574 F575 | N573-R577 WeakPolarHBondContact O-CG 3.42Å; N573-R577 PolarHBondContact O-N 3.09Å; E574-R577 WeakPolarHBondContact O-CB 3.42Å; E574-R577 PolarHBondContact O-N 3.18Å; F575-R577 VanDerWaalsContact C-N 3.27Å; F575-R577 PolarHBondContact O-N 3.25Å |
| 578 | L | 32.5 | Very low | 30.5 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -74.7 | -30.9 | 178.6 | -69.5 | 170 | 0 | 0 | 0 | 112.8 | E574 F575 G580 | E574-L578 PolarHBondContact O-N 3.33Å; E574-L578 VanDerWaalsContact O-N 3.13Å; F575-L578 PolarHBondContact O-N 3.03Å; L578-G580 VanDerWaalsContact C-N 3.32Å; L578-G580 PolarHBondContact O-N 3.17Å |
| 579 | G | 30.3 | Very low | 30 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -71.8 | -20.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F575 R581 | F575-G579 PolarHBondContact O-N 3.25Å; F575-G579 VanDerWaalsContact O-N 3.12Å; G579-R581 VanDerWaalsContact C-N 3.35Å; G579-R581 PolarHBondContact O-N 3.26Å |
| 580 | G | 28.7 | Very low | 29.7 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -83.8 | 15.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | L578 | L578-G580 VanDerWaalsContact C-N 3.32Å; L578-G580 PolarHBondContact O-N 3.17Å |
| 581 | R | 27.6 | Very low | 29.4 | Very low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -131.9 | 23 | -172.9 | -151.5 | -176.8 | 175.7 | 178.1 | -1.5 | 114.9 | G579 | G579-R581 VanDerWaalsContact C-N 3.35Å; G579-R581 PolarHBondContact O-N 3.26Å |
| 582 | L | 26.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -130.5 | 16.7 | -174.3 | -108.6 | 161.3 | 0 | 0 | 0 | 115.7 | ||
| 583 | E | 23.8 | Very low | 28.2 | Very low | 197 Ų | 197 | 134 Ų | 134 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -125.2 | 96.9 | 164.7 | -70.2 | -164.7 | 155.2 | 0 | 0 | 110.7 | ||||
| 584 | A | 28.3 | Very low | 27.8 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -157.7 | 60.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G586 | A584-G586 PolarHBondContact O-N 3.47Å; A584-G586 VanDerWaalsContact O-N 3.09Å | ||
| 585 | T | 25 | Very low | 27.5 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 95% | 0.951 | 78% | 0.778 | S | S | * | * | trans | -74.5 | 95.8 | 175.6 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 586 | G | 26.9 | Very low | 27.2 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -140.3 | 107.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A584 | A584-G586 PolarHBondContact O-N 3.47Å; A584-G586 VanDerWaalsContact O-N 3.09Å | ||
| 587 | G | 23.6 | Very low | 26.5 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -92.4 | 156 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 588 | I | 27.9 | Very low | 25.9 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -142.1 | 144.9 | 158.9 | -89.6 | 152.6 | 0 | 0 | 0 | 107.3 | ||||
| 589 | S | 24.4 | Very low | 25.4 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 153 | -170.8 | -49.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 590 | P | 25.7 | Very low | 25.3 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 139.8 | 173.6 | 34.1 | -33.7 | 0 | 0 | 0 | 113.2 | ||
| 591 | P | 29 | Very low | 25 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 164.2 | 163.6 | 34.6 | -31.7 | 0 | 0 | 0 | 112.5 | ||
| 592 | M | 23.9 | Very low | 24.8 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -107.1 | 149.5 | -169.4 | -89.8 | -144.1 | -76.8 | 0 | 0 | 115.3 | ||||
| 593 | R | 21.5 | Very low | 24.8 | Very low | 206 Ų | 206 | 130.4 Ų | 130.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | 68.8 | 156.8 | 149.6 | -70.6 | 169.6 | -174.4 | -174.6 | 1 | 115.6 | ||||
| 594 | I | 25.2 | Very low | 24.9 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | cis | -167.5 | 163.8 | 6.8 | -120.7 | 162.9 | 0 | 0 | 0 | 107.3 | ||||
| 595 | P | 27.2 | Very low | 25 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -129.2 | -146.5 | -27.4 | 43.4 | -24.4 | 0 | 0 | 0 | 111.5 | ||||
| 596 | C | 23.4 | Very low | 25.2 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -95.9 | 139.9 | -172 | -43.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 597 | S | 20.6 | Very low | 25.5 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -177.5 | 149.9 | 134.7 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 598 | G | 22.9 | Very low | 26.1 | Very low | 58 Ų | 58 | 127 Ų | 127 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | trans | 114.9 | 115 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | F600 | G598-F600 WeakPolarHBondContact O-CD2 3.4Š| ||
| 599 | D | 21.6 | Very low | 26.8 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | trans | -21.6 | 116.3 | 163.1 | -47.7 | -42.5 | 0 | 0 | 0 | 117.2 | ||||
| 600 | F | 27.2 | Very low | 27.7 | Very low | 190 Ų | 190 | 120.7 Ų | 120.7 | 83% | 0.833 | 71% | 0.714 | S | S | * | * | trans | -113.4 | 69.2 | 172 | -97.4 | -82.4 | 0 | 0 | 0 | 113.5 | G598 T602 | G598-F600 WeakPolarHBondContact O-CD2 3.4Å; F600-T602 VanDerWaalsContact C-N 3.35Å; F600-T602 PolarHBondContact O-N 3.35Å | ||
| 601 | S | 22 | Very low | 28.7 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | trans | -83.6 | 75.8 | 154.9 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 602 | T | 24.4 | Very low | 29.8 | Very low | 108 Ų | 108 | 110.1 Ų | 110.1 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | trans | -178.7 | 117.3 | 157.1 | 16.2 | 0 | 0 | 0 | 0 | 113.2 | F600 | F600-T602 VanDerWaalsContact C-N 3.35Å; F600-T602 PolarHBondContact O-N 3.35Å | ||
| 603 | S | 26.4 | Very low | 31.7 | Very low | 100 Ų | 100 | 108.3 Ų | 108.3 | 70% | 0.699 | 64% | 0.642 | S | S | * | * | trans | -155.9 | 23.5 | 155.1 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | V605 | S603-V605 PolarHBondContact O-N 3.17Š| ||
| 604 | S | 26.3 | Very low | 33.6 | Very low | 93 Ų | 93 | 98.6 Ų | 98.6 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 17.6 | -170.8 | 50.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 605 | V | 30.6 | Very low | 35.6 | Very low | 124 Ų | 124 | 92.6 Ų | 92.6 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -8.8 | -167.2 | -174.8 | 0 | 0 | 0 | 0 | 113.6 | S603 | S603-V605 PolarHBondContact O-N 3.17Š|
| 606 | M | 27.7 | Very low | 37.4 | Very low | 157 Ų | 157 | 91.5 Ų | 91.5 | 77% | 0.773 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -112 | -31.5 | 174.6 | -74.8 | -168.4 | 168.2 | 0 | 0 | 114.8 | S608 S609 | M606-S608 VanDerWaalsContact C-N 3.31Å; M606-S608 PolarHBondContact O-N 3.49Å; M606-S609 PolarHBondContact O-N 2.85Å; M606-S609 PolarHBondContact O-OG 3.28Å |
| 607 | D | 34.1 | Very low | 39.3 | Very low | 70 Ų | 70 | 88.8 Ų | 88.8 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -27.1 | -170.9 | -68 | -30.9 | 0 | 0 | 0 | 114.4 | V80 S609 V610 S611 | V80-D607 HydrophobicContact CG1-CB 4.34Å; D607-S609 PolarHBondContact O-N 3.42Å; D607-S609 VanDerWaalsContact O-N 3.13Å; D607-V610 PolarHBondContact O-N 3.1Å; D607-S611 PolarHBondContact O-N 3.1Å |
| 608 | S | 36.5 | Very low | 41.4 | Very low | 90 Ų | 90 | 84.6 Ų | 84.6 | 63% | 0.629 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -16.9 | -179.9 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | M606 S611 | M606-S608 VanDerWaalsContact C-N 3.31Å; M606-S608 PolarHBondContact O-N 3.49Å; S608-S611 PolarHBondContact O-OG 2.83Å |
| 609 | S | 41.2 | Very low | 43.3 | Very low | 89 Ų | 89 | 85.8 Ų | 85.8 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -79.9 | -16.8 | 174.5 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | M606 D607 | M606-S609 PolarHBondContact O-N 2.85Å; M606-S609 PolarHBondContact O-OG 3.28Å; D607-S609 PolarHBondContact O-N 3.42Å; D607-S609 VanDerWaalsContact O-N 3.13Å |
| 610 | V | 44.3 | Very low | 45.2 | Very low | 62 Ų | 62 | 82.5 Ų | 82.5 | 38% | 0.376 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -101.9 | -29.7 | -172.4 | -156.6 | 0 | 0 | 0 | 0 | 111.8 | C61 D607 L613 | C61-V610 PolarHBondContact SG-O 3.05Å; D607-V610 PolarHBondContact O-N 3.1Å; V610-L613 WeakPolarHBondContact O-CB 3.36Å; V610-L613 PolarHBondContact O-N 2.91Å |
| 611 | S | 46.2 | Very low | 46.8 | Very low | 15 Ų | 15 | 77.7 Ų | 77.7 | 11% | 0.105 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60 | -52.4 | -175.2 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | D607 S608 L613 | D607-S611 PolarHBondContact O-N 3.1Å; S608-S611 PolarHBondContact O-OG 2.83Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 2.75Å |
| 612 | G | 53.1 | Low | 48.4 | Very low | 16 Ų | 16 | 78 Ų | 78 | 17% | 0.165 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.2 | -28.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E102 E614 L615 D616 | E102-G612 WeakPolarHBondContact OE2-CA 3.11Å; G612-E614 PolarHBondContact O-N 3.37Å; G612-L615 PolarHBondContact O-N 3.38Å; G612-D616 PolarHBondContact O-N 3.32Å |
| 613 | L | 62.7 | Low | 49.9 | Very low | 109 Ų | 109 | 80.2 Ų | 80.2 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63 | -39.9 | -178 | -150.5 | 93.2 | 0 | 0 | 0 | 112.1 | V610 S611 I617 | V610-L613 WeakPolarHBondContact O-CB 3.36Å; V610-L613 PolarHBondContact O-N 2.91Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 2.75Å; L613-I617 HydrophobicContact CD2-CD1 4.13Å; L613-I617 HydrophobicContact CG-CD1 4.26Å; L613-I617 WeakPolarHBondContact O-CB 3.44Å; L613-I617 WeakPolarHBondContact O-CD1 3.4Å; L613-I617 WeakPolarHBondContact O-CG1 3.23Å; L613-I617 PolarHBondContact O-N 3.35Å |
| 614 | E | 62.4 | Low | 51.2 | Low | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.009 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 176.8 | -174.9 | 171.6 | -176.1 | 0 | 0 | 111.7 | H59 L60 C61 S81 I83 K85 G612 I617 L618 | H59-E614 WeakPolarHBondContact CA-OE1 3.37Å; L60-E614 HydrophobicContact CB-CB 4.02Å; L60-E614 HydrophobicContact CB-CG 3.74Å; L60-E614 HydrophobicContact CD1-CB 4.38Å; L60-E614 HydrophobicContact CD1-CG 3.97Å; L60-E614 HydrophobicContact CG-CB 4.48Å; L60-E614 HydrophobicContact CG-CG 3.82Å; L60-E614 PolarHBondContact N-OE1 3.27Å; L60-E614 PolarHBondContact N-OE2 3.26Å; C61-E614 PolarHBondContact N-OE2 2.92Å; S81-E614 PolarHBondContact OG-OE2 2.91Å; I83-E614 HydrophobicContact CD1-CB 3.96Å; I83-E614 HydrophobicContact CD1-CG 3.48Å; I83-E614 VanDerWaalsContact CD1-CG 3.48Å; K85-E614 WeakPolarHBondContact CE-OE1 3.29Å; K85-E614 IonicContact NZ-OE1 2.91Å; K85-E614 PolarHBondContact NZ-OE1 2.85Å; G612-E614 PolarHBondContact O-N 3.37Å; E614-I617 PolarHBondContact O-N 3.41Å; E614-L618 HydrophobicContact CG-CD1 4.35Å; E614-L618 WeakPolarHBondContact O-CG 3.48Å; E614-L618 PolarHBondContact O-N 3.17Å |
| 615 | L | 66.3 | Low | 52.3 | Low | 20 Ų | 20 | 73.5 Ų | 73.5 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70 | -36.7 | -178.9 | -173.4 | 58.5 | 0 | 0 | 0 | 111.9 | I83 E102 G612 L618 K619 | I83-L615 HydrophobicContact CD1-CB 4.44Å; E102-L615 HydrophobicContact CG-CB 4.36Å; E102-L615 HydrophobicContact CG-CD2 3.82Å; G612-L615 PolarHBondContact O-N 3.38Å; L615-L618 PolarHBondContact O-N 3.34Å; L615-K619 VanDerWaalsContact O-CG 3.29Å; L615-K619 WeakPolarHBondContact O-CG 3.04Å; L615-K619 PolarHBondContact O-N 2.87Å |
| 616 | D | 64.6 | Low | 53.4 | Low | 93 Ų | 93 | 73.3 Ų | 73.3 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.7 | -35.9 | 174.1 | -82.1 | -5.1 | 0 | 0 | 0 | 112.9 | G612 L618 K619 L620 | G612-D616 PolarHBondContact O-N 3.32Å; D616-L618 VanDerWaalsContact C-N 3.33Å; D616-K619 PolarHBondContact O-N 3.02Å; D616-K619 VanDerWaalsContact OD1-CD 3.31Å; D616-K619 WeakPolarHBondContact OD1-CD 3.41Å; D616-K619 WeakPolarHBondContact OD1-CE 3.45Å; D616-K619 IonicContact OD1-NZ 3.48Å; D616-K619 PolarHBondContact OD1-NZ 3.26Å; D616-L620 WeakPolarHBondContact O-CB 3.43Å; D616-L620 PolarHBondContact O-N 3.06Å |
| 617 | I | 64 | Low | 55 | Low | 68 Ų | 68 | 68.9 Ų | 68.9 | 35% | 0.349 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 168.9 | -72.3 | 165.8 | 0 | 0 | 0 | 110.4 | L60 L613 E614 L620 V621 | L60-I617 HydrophobicContact CD1-CB 4.25Å; L60-I617 HydrophobicContact CD1-CD1 3.84Å; L60-I617 HydrophobicContact CD1-CG2 3.95Å; L613-I617 HydrophobicContact CD2-CD1 4.13Å; L613-I617 HydrophobicContact CG-CD1 4.26Å; L613-I617 WeakPolarHBondContact O-CB 3.44Å; L613-I617 WeakPolarHBondContact O-CD1 3.4Å; L613-I617 WeakPolarHBondContact O-CG1 3.23Å; L613-I617 PolarHBondContact O-N 3.35Å; E614-I617 PolarHBondContact O-N 3.41Å; I617-L620 WeakPolarHBondContact O-CB 3.26Å; I617-L620 PolarHBondContact O-N 2.9Å; I617-V621 HydrophobicContact CG2-CG2 4.23Å; I617-V621 WeakPolarHBondContact O-CB 3.47Å; I617-V621 VanDerWaalsContact O-CG2 3.28Å; I617-V621 WeakPolarHBondContact O-CG2 3.35Å; I617-V621 PolarHBondContact O-N 2.88Å |
| 618 | L | 65.4 | Low | 56.4 | Low | 42 Ų | 42 | 68.9 Ų | 68.9 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.1 | -73.2 | 170.7 | 0 | 0 | 0 | 112.1 | I83 E614 L615 D616 L620 V621 D622 | I83-L618 HydrophobicContact CD1-CD1 3.67Å; E614-L618 HydrophobicContact CG-CD1 4.35Å; E614-L618 WeakPolarHBondContact O-CG 3.48Å; E614-L618 PolarHBondContact O-N 3.17Å; L615-L618 PolarHBondContact O-N 3.34Å; D616-L618 VanDerWaalsContact C-N 3.33Å; L618-L620 PolarHBondContact O-N 3.06Å; L618-V621 CarbonylContact O-C 3.5Å; L618-V621 PolarHBondContact O-N 3.21Å; L618-V621 VanDerWaalsContact O-N 3.17Å; L618-D622 PolarHBondContact O-N 3.49Å |
| 619 | K | 62.9 | Low | 57.7 | Low | 83 Ų | 83 | 68.6 Ų | 68.6 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.5 | -31.6 | 173.5 | -68.1 | 165.9 | -162.6 | 143.1 | 0 | 112.5 | E102 L615 D616 K623 | E102-K619 IonicContact OE1-NZ 2.68Å; L615-K619 VanDerWaalsContact O-CG 3.29Å; L615-K619 WeakPolarHBondContact O-CG 3.04Å; L615-K619 PolarHBondContact O-N 2.87Å; D616-K619 PolarHBondContact O-N 3.02Å; D616-K619 VanDerWaalsContact OD1-CD 3.31Å; D616-K619 WeakPolarHBondContact OD1-CD 3.41Å; D616-K619 WeakPolarHBondContact OD1-CE 3.45Å; D616-K619 IonicContact OD1-NZ 3.48Å; D616-K619 PolarHBondContact OD1-NZ 3.26Å; K619-K623 WeakPolarHBondContact O-CD 2.95Å; K619-K623 VanDerWaalsContact O-CG 3.26Å; K619-K623 WeakPolarHBondContact O-CG 3.35Å; K619-K623 PolarHBondContact O-N 2.86Å |
| 620 | L | 60.4 | Low | 59 | Low | 93 Ų | 93 | 68.6 Ų | 68.6 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -77.8 | -40.6 | 177.4 | -157.4 | 74.1 | 0 | 0 | 0 | 111.5 | L571 D616 I617 L618 K623 G624 | L571-L620 HydrophobicContact CD1-CD2 3.75Å; L571-L620 HydrophobicContact CD1-CG 4.46Å; D616-L620 WeakPolarHBondContact O-CB 3.43Å; D616-L620 PolarHBondContact O-N 3.06Å; I617-L620 WeakPolarHBondContact O-CB 3.26Å; I617-L620 PolarHBondContact O-N 2.9Å; L618-L620 PolarHBondContact O-N 3.06Å; L620-K623 PolarHBondContact O-N 3.05Å; L620-G624 PolarHBondContact O-N 2.95Å |
| 621 | V | 61.8 | Low | 60.1 | Low | 88 Ų | 88 | 66.7 Ų | 66.7 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 174.1 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | I617 L618 G625 | I617-V621 HydrophobicContact CG2-CG2 4.23Å; I617-V621 WeakPolarHBondContact O-CB 3.47Å; I617-V621 VanDerWaalsContact O-CG2 3.28Å; I617-V621 WeakPolarHBondContact O-CG2 3.35Å; I617-V621 PolarHBondContact O-N 2.88Å; L618-V621 CarbonylContact O-C 3.5Å; L618-V621 PolarHBondContact O-N 3.21Å; L618-V621 VanDerWaalsContact O-N 3.17Å; V621-G625 WeakPolarHBondContact O-CA 3.5Å; V621-G625 PolarHBondContact O-N 3.08Å |
| 622 | D | 56 | Low | 61.4 | Low | 115 Ų | 115 | 70.6 Ų | 70.6 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 172.7 | -77 | -25.4 | 0 | 0 | 0 | 111.7 | L618 G625 I626 | L618-D622 PolarHBondContact O-N 3.49Å; D622-G625 WeakPolarHBondContact O-CA 3.34Å; D622-G625 PolarHBondContact O-N 3.09Å; D622-G625 VanDerWaalsContact O-N 3.08Å; D622-I626 PolarHBondContact O-N 3.05Å |
| 623 | K | 55.5 | Low | 62.4 | Low | 156 Ų | 156 | 70.8 Ų | 70.8 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | -179.9 | -73.8 | 169.1 | -174.2 | 173.2 | 0 | 112.8 | K619 L620 G625 | K619-K623 WeakPolarHBondContact O-CD 2.95Å; K619-K623 VanDerWaalsContact O-CG 3.26Å; K619-K623 WeakPolarHBondContact O-CG 3.35Å; K619-K623 PolarHBondContact O-N 2.86Å; L620-K623 PolarHBondContact O-N 3.05Å; K623-G625 VanDerWaalsContact C-N 3.26Å |
| 624 | G | 53.8 | Low | 63.2 | Low | 42 Ų | 42 | 69.1 Ų | 69.1 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.4 | -28.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L620 I626 S627 | L620-G624 PolarHBondContact O-N 2.95Å; G624-I626 VanDerWaalsContact C-N 3.3Å; G624-I626 PolarHBondContact O-N 3.04Å; G624-S627 PolarHBondContact O-N 3.46Å; G624-S627 PolarHBondContact O-OG 3.32Å |
| 625 | G | 48.6 | Very low | 64 | Low | 9 Ų | 9 | 70 Ų | 70 | 9% | 0.093 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -30.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V621 D622 K623 S627 I628 T629 | V621-G625 WeakPolarHBondContact O-CA 3.5Å; V621-G625 PolarHBondContact O-N 3.08Å; D622-G625 WeakPolarHBondContact O-CA 3.34Å; D622-G625 PolarHBondContact O-N 3.09Å; D622-G625 VanDerWaalsContact O-N 3.08Å; K623-G625 VanDerWaalsContact C-N 3.26Å; G625-S627 PolarHBondContact O-N 3.19Å; G625-S627 VanDerWaalsContact O-N 3.15Å; G625-I628 PolarHBondContact O-N 2.93Å; G625-I628 VanDerWaalsContact O-N 3.14Å; G625-T629 VanDerWaalsContact O-CB 3.3Å; G625-T629 WeakPolarHBondContact O-CB 3.25Å; G625-T629 VanDerWaalsContact O-CG2 3.3Å; G625-T629 WeakPolarHBondContact O-CG2 3.44Å; G625-T629 PolarHBondContact O-N 3.15Å; G625-T629 PolarHBondContact O-OG1 3.03Å |
| 626 | I | 54.2 | Low | 64.8 | Low | 121 Ų | 121 | 74.6 Ų | 74.6 | 62% | 0.621 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -54.9 | -33.6 | 173.2 | -60.7 | 166.2 | 0 | 0 | 0 | 111.4 | D622 G624 T630 | D622-I626 PolarHBondContact O-N 3.05Å; G624-I626 VanDerWaalsContact C-N 3.3Å; G624-I626 PolarHBondContact O-N 3.04Å; I626-T630 WeakPolarHBondContact O-CB 3.47Å; I626-T630 VanDerWaalsContact O-CG2 3.27Å; I626-T630 WeakPolarHBondContact O-CG2 3.24Å; I626-T630 PolarHBondContact O-N 3.39Å; I626-T630 PolarHBondContact O-OG1 2.8Å |
| 627 | S | 60 | Low | 65.6 | Low | 64 Ų | 64 | 77.6 Ų | 77.6 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -77.3 | -42.9 | 175.6 | 72 | 0 | 0 | 0 | 0 | 113.4 | G624 G625 T630 V631 | G624-S627 PolarHBondContact O-N 3.46Å; G624-S627 PolarHBondContact O-OG 3.32Å; G625-S627 PolarHBondContact O-N 3.19Å; G625-S627 VanDerWaalsContact O-N 3.15Å; S627-T630 PolarHBondContact O-OG1 3.42Å; S627-T630 VanDerWaalsContact O-OG1 3.04Å; S627-V631 WeakPolarHBondContact O-CG2 3.22Å; S627-V631 PolarHBondContact O-N 3.43Å |
| 628 | I | 64.7 | Low | 66.5 | Low | 69 Ų | 69 | 77 Ų | 77 | 35% | 0.354 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.2 | -35.8 | -178.7 | -154.4 | 67 | 0 | 0 | 0 | 111.7 | V551 G625 V631 L632 | V551-I628 HydrophobicContact CG1-CD1 4.16Å; G625-I628 PolarHBondContact O-N 2.93Å; G625-I628 VanDerWaalsContact O-N 3.14Å; I628-V631 PolarHBondContact O-N 3.18Å; I628-L632 HydrophobicContact CG1-CD1 3.98Å; I628-L632 HydrophobicContact CG1-CG 4.31Å; I628-L632 VanDerWaalsContact O-CB 3.26Å; I628-L632 WeakPolarHBondContact O-CB 3.29Å; I628-L632 VanDerWaalsContact O-CG 3.24Å; I628-L632 WeakPolarHBondContact O-CG 3.42Å; I628-L632 PolarHBondContact O-N 3.43Å |
| 629 | T | 64.1 | Low | 67.4 | Low | 85 Ų | 85 | 77.5 Ų | 77.5 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71 | -31.3 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | G625 G633 | G625-T629 VanDerWaalsContact O-CB 3.3Å; G625-T629 WeakPolarHBondContact O-CB 3.25Å; G625-T629 VanDerWaalsContact O-CG2 3.3Å; G625-T629 WeakPolarHBondContact O-CG2 3.44Å; G625-T629 PolarHBondContact O-N 3.15Å; G625-T629 PolarHBondContact O-OG1 3.03Å; T629-G633 WeakPolarHBondContact O-CA 3.34Å; T629-G633 PolarHBondContact O-N 3.47Å |
| 630 | T | 67.6 | Low | 68.5 | Low | 88 Ų | 88 | 77.1 Ų | 77.1 | 54% | 0.54 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.9 | -39.1 | 171.3 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | I626 S627 Y634 | I626-T630 WeakPolarHBondContact O-CB 3.47Å; I626-T630 VanDerWaalsContact O-CG2 3.27Å; I626-T630 WeakPolarHBondContact O-CG2 3.24Å; I626-T630 PolarHBondContact O-N 3.39Å; I626-T630 PolarHBondContact O-OG1 2.8Å; S627-T630 PolarHBondContact O-OG1 3.42Å; S627-T630 VanDerWaalsContact O-OG1 3.04Å; T630-Y634 WeakPolarHBondContact O-CB 3.34Å; T630-Y634 PolarHBondContact O-N 3.03Å |
| 631 | V | 68.1 | Low | 69.6 | Low | 23 Ų | 23 | 76.4 Ų | 76.4 | 14% | 0.139 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 112 | L554 S627 I628 Y634 R635 | L554-V631 HydrophobicContact CB-CG2 4.26Å; L554-V631 HydrophobicContact CD1-CG1 3.99Å; S627-V631 WeakPolarHBondContact O-CG2 3.22Å; S627-V631 PolarHBondContact O-N 3.43Å; I628-V631 PolarHBondContact O-N 3.18Å; V631-Y634 WeakPolarHBondContact O-CB 3.24Å; V631-Y634 PolarHBondContact O-N 3.23Å; V631-R635 PolarHBondContact O-N 3.2Å |
| 632 | L | 72.5 | Confident | 70.6 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 177.5 | -70.4 | 172.2 | 0 | 0 | 0 | 111.7 | I628 Y634 R635 Q636 | I628-L632 HydrophobicContact CG1-CD1 3.98Å; I628-L632 HydrophobicContact CG1-CG 4.31Å; I628-L632 VanDerWaalsContact O-CB 3.26Å; I628-L632 WeakPolarHBondContact O-CB 3.29Å; I628-L632 VanDerWaalsContact O-CG 3.24Å; I628-L632 WeakPolarHBondContact O-CG 3.42Å; I628-L632 PolarHBondContact O-N 3.43Å; L632-Y634 VanDerWaalsContact C-N 3.3Å; L632-Y634 PolarHBondContact O-N 2.86Å; L632-R635 PolarHBondContact O-N 3.06Å; L632-Q636 WeakPolarHBondContact O-CB 2.99Å; L632-Q636 PolarHBondContact O-N 3.02Å |
| 633 | G | 75.3 | Confident | 71.9 | Confident | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.5 | -29.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T629 K637 | T629-G633 WeakPolarHBondContact O-CA 3.34Å; T629-G633 PolarHBondContact O-N 3.47Å; G633-K637 WeakPolarHBondContact O-CD 3.23Å; G633-K637 VanDerWaalsContact O-CG 3.25Å; G633-K637 WeakPolarHBondContact O-CG 3.34Å; G633-K637 PolarHBondContact O-N 3Å |
| 634 | Y | 79.7 | Confident | 73.2 | Confident | 73 Ų | 73 | 68.7 Ų | 68.7 | 29% | 0.286 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.4 | -50.6 | 167.2 | 172.7 | -109.1 | 0 | 0 | 0 | 111 | T630 V631 L632 Q636 K637 R638 D663 | T630-Y634 WeakPolarHBondContact O-CB 3.34Å; T630-Y634 PolarHBondContact O-N 3.03Å; V631-Y634 WeakPolarHBondContact O-CB 3.24Å; V631-Y634 PolarHBondContact O-N 3.23Å; L632-Y634 VanDerWaalsContact C-N 3.3Å; L632-Y634 PolarHBondContact O-N 2.86Å; Y634-Q636 PolarHBondContact O-N 3.5Å; Y634-K637 PolarHBondContact O-N 3.28Å; Y634-R638 HydrophobicContact CD2-CG 4.44Å; Y634-R638 HydrophobicContact CE1-CG 4.36Å; Y634-R638 HydrophobicContact CE2-CG 4.1Å; Y634-R638 WeakPolarHBondContact O-CG 3.45Å; Y634-R638 PolarHBondContact O-N 3.33Å; Y634-R638 PolarHBondContact OH-NE 3.36Å; Y634-R638 PolarHBondContact OH-NH2 3.42Å; Y634-D663 VanDerWaalsContact CE1-OD2 3.32Å; Y634-D663 WeakPolarHBondContact CE1-OD2 3.4Å; Y634-D663 PolarHBondContact OH-OD2 3.03Å |
| 635 | R | 78.7 | Confident | 74.7 | Confident | 22 Ų | 22 | 69 Ų | 69 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 177 | -71.5 | -157.6 | -170.8 | -179 | 7.5 | 112.8 | S552 V631 L632 K637 R638 L639 D670 | S552-R635 PolarHBondContact OG-NH2 3.13Å; V631-R635 PolarHBondContact O-N 3.2Å; L632-R635 PolarHBondContact O-N 3.06Å; R635-K637 PolarHBondContact O-N 3.47Å; R635-R638 PolarHBondContact O-N 3.26Å; R635-R638 VanDerWaalsContact O-N 3.16Å; R635-L639 WeakPolarHBondContact O-CB 3.46Å; R635-L639 WeakPolarHBondContact O-CG 3.23Å; R635-L639 PolarHBondContact O-N 2.98Å; R635-D670 WeakPolarHBondContact CD-OD2 3.3Å; R635-D670 IonicContact CZ-OD2 3.89Å; R635-D670 IonicContact NE-OD2 3.25Å; R635-D670 VanDerWaalsContact NH1-CG 3.3Å; R635-D670 IonicContact NH1-OD1 3.88Å; R635-D670 PolarHBondContact NH1-OD1 3.37Å; R635-D670 VanDerWaalsContact NH1-OD1 3.14Å; R635-D670 IonicContact NH1-OD2 2.98Å; R635-D670 PolarHBondContact NH1-OD2 3.38Å |
| 636 | Q | 81.9 | Confident | 76.4 | Confident | 116 Ų | 116 | 69.7 Ų | 69.7 | 54% | 0.542 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.8 | -50.1 | 176.3 | -177.7 | -170.7 | -22.6 | 0 | 0 | 110.7 | L632 Y634 R638 L639 E640 | L632-Q636 WeakPolarHBondContact O-CB 2.99Å; L632-Q636 PolarHBondContact O-N 3.02Å; Y634-Q636 PolarHBondContact O-N 3.5Å; Q636-R638 VanDerWaalsContact C-N 3.29Å; Q636-R638 PolarHBondContact O-N 2.74Å; Q636-L639 PolarHBondContact O-N 3.38Å; Q636-E640 HydrophobicContact CG-CG 4.45Å; Q636-E640 PolarHBondContact NE2-OE1 3.36Å; Q636-E640 WeakPolarHBondContact O-CB 3.45Å; Q636-E640 WeakPolarHBondContact O-CG 3.48Å; Q636-E640 PolarHBondContact O-N 3.2Å |
| 637 | K | 82.1 | Confident | 77.6 | Confident | 155 Ų | 155 | 68.3 Ų | 68.3 | 67% | 0.674 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62 | -34.7 | 179.2 | -72.7 | 171.9 | -176.2 | 178 | 0 | 112.7 | G633 Y634 R635 M641 | G633-K637 WeakPolarHBondContact O-CD 3.23Å; G633-K637 VanDerWaalsContact O-CG 3.25Å; G633-K637 WeakPolarHBondContact O-CG 3.34Å; G633-K637 PolarHBondContact O-N 3Å; Y634-K637 PolarHBondContact O-N 3.28Å; R635-K637 PolarHBondContact O-N 3.47Å; K637-M641 PolarHBondContact O-N 3.36Å |
| 638 | R | 82.3 | Confident | 78.6 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 21% | 0.208 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.9 | -50.3 | 172.3 | -66.3 | -60.9 | -162.1 | 164.8 | 4.3 | 111.7 | Y634 R635 Q636 E640 M641 I642 Q661 I667 | Y634-R638 HydrophobicContact CD2-CG 4.44Å; Y634-R638 HydrophobicContact CE1-CG 4.36Å; Y634-R638 HydrophobicContact CE2-CG 4.1Å; Y634-R638 WeakPolarHBondContact O-CG 3.45Å; Y634-R638 PolarHBondContact O-N 3.33Å; Y634-R638 PolarHBondContact OH-NE 3.36Å; Y634-R638 PolarHBondContact OH-NH2 3.42Å; R635-R638 PolarHBondContact O-N 3.26Å; R635-R638 VanDerWaalsContact O-N 3.16Å; Q636-R638 VanDerWaalsContact C-N 3.29Å; Q636-R638 PolarHBondContact O-N 2.74Å; R638-E640 VanDerWaalsContact C-N 3.31Å; R638-E640 PolarHBondContact O-N 3.2Å; R638-M641 WeakPolarHBondContact O-CB 3.41Å; R638-M641 PolarHBondContact O-N 3.46Å; R638-M641 VanDerWaalsContact O-N 3.09Å; R638-I642 WeakPolarHBondContact O-CD1 3.43Å; R638-I642 VanDerWaalsContact O-CG1 3.31Å; R638-I642 WeakPolarHBondContact O-CG1 3.37Å; R638-I642 PolarHBondContact O-N 3.37Å; R638-Q661 VanDerWaalsContact CD-OE1 3.31Å; R638-I667 HydrophobicContact CB-CD1 3.88Å; R638-I667 HydrophobicContact CG-CD1 3.92Å |
| 639 | L | 84.6 | Confident | 79.5 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 179.2 | -70.6 | 169.9 | 0 | 0 | 0 | 112 | R635 Q636 I642 A643 I667 D670 V671 | R635-L639 WeakPolarHBondContact O-CB 3.46Å; R635-L639 WeakPolarHBondContact O-CG 3.23Å; R635-L639 PolarHBondContact O-N 2.98Å; Q636-L639 PolarHBondContact O-N 3.38Å; L639-I642 PolarHBondContact O-N 3.14Å; L639-A643 VanDerWaalsContact O-CB 3.29Å; L639-A643 WeakPolarHBondContact O-CB 3.48Å; L639-A643 PolarHBondContact O-N 3.16Å; L639-I667 HydrophobicContact CD2-CG2 3.99Å; L639-D670 HydrophobicContact CD1-CB 4.17Å; L639-D670 HydrophobicContact CD2-CB 4.32Å; L639-V671 HydrophobicContact CD2-CG2 3.66Å |
| 640 | E | 85.6 | Confident | 80.3 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 171.4 | -81.4 | -172.1 | -136.9 | 0 | 0 | 112.8 | Q636 R638 A643 K644 | Q636-E640 HydrophobicContact CG-CG 4.45Å; Q636-E640 PolarHBondContact NE2-OE1 3.36Å; Q636-E640 WeakPolarHBondContact O-CB 3.45Å; Q636-E640 WeakPolarHBondContact O-CG 3.48Å; Q636-E640 PolarHBondContact O-N 3.2Å; R638-E640 VanDerWaalsContact C-N 3.31Å; R638-E640 PolarHBondContact O-N 3.2Å; E640-A643 PolarHBondContact O-N 3.42Å; E640-K644 WeakPolarHBondContact O-CB 3.43Å; E640-K644 VanDerWaalsContact O-CD 3.28Å; E640-K644 WeakPolarHBondContact O-CD 3.17Å; E640-K644 WeakPolarHBondContact O-CG 3.49Å; E640-K644 PolarHBondContact O-N 2.93Å; E640-K644 IonicContact OE2-NZ 3.79Å; E640-K644 PolarHBondContact OE2-NZ 2.93Å |
| 641 | M | 84.2 | Confident | 81 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 39% | 0.389 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 174.4 | 179.5 | -159.7 | -66.7 | 0 | 0 | 110.4 | K637 R638 A643 K644 L645 | K637-M641 PolarHBondContact O-N 3.36Å; R638-M641 WeakPolarHBondContact O-CB 3.41Å; R638-M641 PolarHBondContact O-N 3.46Å; R638-M641 VanDerWaalsContact O-N 3.09Å; M641-A643 PolarHBondContact O-N 3.38Å; M641-K644 PolarHBondContact O-N 3.24Å; M641-L645 HydrophobicContact CG-CD1 4.03Å; M641-L645 WeakPolarHBondContact O-CB 3.39Å; M641-L645 WeakPolarHBondContact O-CG 3.38Å; M641-L645 PolarHBondContact O-N 3.24Å |
| 642 | I | 83.7 | Confident | 81.8 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 179.5 | -66.8 | 153.4 | 0 | 0 | 0 | 110.8 | R638 L639 L645 A646 V658 I667 | R638-I642 WeakPolarHBondContact O-CD1 3.43Å; R638-I642 VanDerWaalsContact O-CG1 3.31Å; R638-I642 WeakPolarHBondContact O-CG1 3.37Å; R638-I642 PolarHBondContact O-N 3.37Å; L639-I642 PolarHBondContact O-N 3.14Å; I642-L645 PolarHBondContact O-N 3.25Å; I642-A646 VanDerWaalsContact O-CB 3.26Å; I642-A646 WeakPolarHBondContact O-CB 3.21Å; I642-A646 PolarHBondContact O-N 3.19Å; I642-V658 HydrophobicContact CD1-CG2 3.6Å; I642-V658 HydrophobicContact CG1-CG2 3.94Å; I642-V658 HydrophobicContact CG2-CG2 3.9Å; I642-I667 HydrophobicContact CD1-CG2 3.42Å; I642-I667 VanDerWaalsContact CD1-CG2 3.42Å |
| 643 | A | 82.8 | Confident | 82.4 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 49% | 0.488 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L639 E640 M641 L645 A646 A647 | L639-A643 VanDerWaalsContact O-CB 3.29Å; L639-A643 WeakPolarHBondContact O-CB 3.48Å; L639-A643 PolarHBondContact O-N 3.16Å; E640-A643 PolarHBondContact O-N 3.42Å; M641-A643 PolarHBondContact O-N 3.38Å; A643-L645 VanDerWaalsContact C-N 3.35Å; A643-L645 PolarHBondContact O-N 3.44Å; A643-A646 PolarHBondContact O-N 3Å; A643-A647 VanDerWaalsContact O-CB 3.26Å; A643-A647 WeakPolarHBondContact O-CB 3.37Å; A643-A647 PolarHBondContact O-N 3.36Å |
| 644 | K | 83.4 | Confident | 82.8 | Confident | 128 Ų | 128 | 72.4 Ų | 72.4 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.9 | -36.4 | 176.3 | -71 | 160 | -172.1 | 160.4 | 0 | 111.8 | E640 M641 S648 | E640-K644 WeakPolarHBondContact O-CB 3.43Å; E640-K644 VanDerWaalsContact O-CD 3.28Å; E640-K644 WeakPolarHBondContact O-CD 3.17Å; E640-K644 WeakPolarHBondContact O-CG 3.49Å; E640-K644 PolarHBondContact O-N 2.93Å; E640-K644 IonicContact OE2-NZ 3.79Å; E640-K644 PolarHBondContact OE2-NZ 2.93Å; M641-K644 PolarHBondContact O-N 3.24Å; K644-S648 WeakPolarHBondContact O-CB 3.4Å; K644-S648 PolarHBondContact O-N 2.8Å; K644-S648 PolarHBondContact O-OG 3.43Å |
| 645 | L | 84.6 | Confident | 83.1 | Confident | 47 Ų | 47 | 69 Ų | 69 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.6 | -44.2 | 173.9 | -71.5 | 170.4 | 0 | 0 | 0 | 112.5 | M641 I642 A643 A647 S648 R649 E657 | M641-L645 HydrophobicContact CG-CD1 4.03Å; M641-L645 WeakPolarHBondContact O-CB 3.39Å; M641-L645 WeakPolarHBondContact O-CG 3.38Å; M641-L645 PolarHBondContact O-N 3.24Å; I642-L645 PolarHBondContact O-N 3.25Å; A643-L645 VanDerWaalsContact C-N 3.35Å; A643-L645 PolarHBondContact O-N 3.44Å; L645-A647 VanDerWaalsContact C-N 3.33Å; L645-A647 PolarHBondContact O-N 2.96Å; L645-S648 PolarHBondContact O-N 2.78Å; L645-S648 PolarHBondContact O-OG 2.78Å; L645-R649 PolarHBondContact O-N 3.36Å; L645-E657 HydrophobicContact CD1-CB 4.17Å; L645-E657 HydrophobicContact CD1-CG 3.77Å |
| 646 | A | 83.5 | Confident | 83.5 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 21% | 0.207 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.4 | -36 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I642 A643 G650 | I642-A646 VanDerWaalsContact O-CB 3.26Å; I642-A646 WeakPolarHBondContact O-CB 3.21Å; I642-A646 PolarHBondContact O-N 3.19Å; A643-A646 PolarHBondContact O-N 3Å; A646-G650 CarbonylContact O-C 3.53Å; A646-G650 VanDerWaalsContact O-C 3.31Å; A646-G650 WeakPolarHBondContact O-CA 3.46Å; A646-G650 PolarHBondContact O-N 3.43Å |
| 647 | A | 81.3 | Confident | 83.6 | Confident | 92 Ų | 92 | 69 Ų | 69 | 76% | 0.76 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.3 | -31.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A643 L645 | A643-A647 VanDerWaalsContact O-CB 3.26Å; A643-A647 WeakPolarHBondContact O-CB 3.37Å; A643-A647 PolarHBondContact O-N 3.36Å; L645-A647 VanDerWaalsContact C-N 3.33Å; L645-A647 PolarHBondContact O-N 2.96Å |
| 648 | S | 80.7 | Confident | 83.7 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -95.9 | -26.8 | -176.1 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | K644 L645 | K644-S648 WeakPolarHBondContact O-CB 3.4Å; K644-S648 PolarHBondContact O-N 2.8Å; K644-S648 PolarHBondContact O-OG 3.43Å; L645-S648 PolarHBondContact O-N 2.78Å; L645-S648 PolarHBondContact O-OG 2.78Å |
| 649 | R | 82.1 | Confident | 83.8 | Confident | 171 Ų | 171 | 61.2 Ų | 61.2 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -125.9 | 2.3 | -178.2 | -61.7 | -173.9 | 178.3 | -173.7 | -1.2 | 114.1 | L645 F653 | L645-R649 PolarHBondContact O-N 3.36Å; R649-F653 HydrophobicContact CB-CB 3.78Å; R649-F653 HydrophobicContact CB-CD2 4.07Å; R649-F653 HydrophobicContact CB-CG 4.01Å; R649-F653 VanDerWaalsContact O-CD2 3.28Å; R649-F653 WeakPolarHBondContact O-CD2 3.5Å |
| 650 | G | 81.6 | Confident | 83.6 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | trans | 85.4 | 157.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A646 K652 F653 G654 | A646-G650 CarbonylContact O-C 3.53Å; A646-G650 VanDerWaalsContact O-C 3.31Å; A646-G650 WeakPolarHBondContact O-CA 3.46Å; A646-G650 PolarHBondContact O-N 3.43Å; G650-K652 VanDerWaalsContact C-N 3.27Å; G650-K652 PolarHBondContact O-N 2.62Å; G650-F653 PolarHBondContact O-N 3.31Å; G650-F653 VanDerWaalsContact O-N 3.15Å; G650-G654 PolarHBondContact O-N 2.68Å | ||
| 651 | L | 82.6 | Confident | 83.1 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.6 | -35.7 | -171.5 | -177.7 | 57.3 | 0 | 0 | 0 | 113.7 | F653 G654 L655 L675 V687 I692 | L651-F653 PolarHBondContact O-N 2.79Å; L651-G654 PolarHBondContact O-N 3.22Å; L651-L655 HydrophobicContact CD1-CD1 4.19Å; L651-L655 HydrophobicContact CD1-CG 4.05Å; L651-L655 HydrophobicContact CG-CD1 4.02Å; L651-L655 HydrophobicContact CG-CG 4.33Å; L651-L655 WeakPolarHBondContact O-CG 3.33Å; L651-L655 PolarHBondContact O-N 2.83Å; L651-L675 HydrophobicContact CD2-CD2 3.98Å; L651-V687 HydrophobicContact CD2-CG1 3.96Å; L651-I692 HydrophobicContact CB-CD1 4.31Å; L651-I692 HydrophobicContact CD2-CD1 3.79Å; L651-I692 HydrophobicContact CG-CD1 3.96Å |
| 652 | K | 85.1 | Confident | 82 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.3 | -49 | 177 | -171.7 | -176.4 | -178.9 | -179.6 | 0 | 112.1 | G650 L655 Q656 D691 I695 | G650-K652 VanDerWaalsContact C-N 3.27Å; G650-K652 PolarHBondContact O-N 2.62Å; K652-L655 PolarHBondContact O-N 3Å; K652-Q656 WeakPolarHBondContact O-CG 3.26Å; K652-Q656 PolarHBondContact O-N 2.85Å; K652-D691 HydrophobicContact CD-CB 4.17Å; K652-D691 WeakPolarHBondContact CE-OD2 3.48Å; K652-D691 IonicContact NZ-OD2 3.29Å; K652-D691 PolarHBondContact NZ-OD2 3.45Å; K652-I695 HydrophobicContact CG-CD1 3.72Å |
| 653 | F | 84.1 | Confident | 81.3 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 48% | 0.482 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 178.6 | -81.8 | -82.6 | 0 | 0 | 0 | 112.4 | R649 G650 L651 Q656 E657 | R649-F653 HydrophobicContact CB-CB 3.78Å; R649-F653 HydrophobicContact CB-CD2 4.07Å; R649-F653 HydrophobicContact CB-CG 4.01Å; R649-F653 VanDerWaalsContact O-CD2 3.28Å; R649-F653 WeakPolarHBondContact O-CD2 3.5Å; G650-F653 PolarHBondContact O-N 3.31Å; G650-F653 VanDerWaalsContact O-N 3.15Å; L651-F653 PolarHBondContact O-N 2.79Å; F653-Q656 PolarHBondContact O-N 3.13Å; F653-E657 PolarHBondContact O-N 3.25Å; F653-E657 VanDerWaalsContact O-N 3.13Å |
| 654 | G | 84.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G650 L651 E657 V658 | G650-G654 PolarHBondContact O-N 2.68Å; L651-G654 PolarHBondContact O-N 3.22Å; G654-E657 PolarHBondContact O-N 3.4Å; G654-V658 PolarHBondContact O-N 3.45Å |
| 655 | L | 85.4 | Confident | 81 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.7 | -36.1 | 177.9 | -66.9 | 174.3 | 0 | 0 | 0 | 112.9 | L651 K652 E657 V658 V659 V671 I692 L696 | L651-L655 HydrophobicContact CD1-CD1 4.19Å; L651-L655 HydrophobicContact CD1-CG 4.05Å; L651-L655 HydrophobicContact CG-CD1 4.02Å; L651-L655 HydrophobicContact CG-CG 4.33Å; L651-L655 WeakPolarHBondContact O-CG 3.33Å; L651-L655 PolarHBondContact O-N 2.83Å; K652-L655 PolarHBondContact O-N 3Å; L655-E657 PolarHBondContact O-N 3.32Å; L655-V658 WeakPolarHBondContact O-CB 3.31Å; L655-V658 PolarHBondContact O-N 3.05Å; L655-V659 WeakPolarHBondContact O-CG2 3.36Å; L655-V659 PolarHBondContact O-N 2.69Å; L655-V659 VanDerWaalsContact O-N 3.14Å; L655-V671 HydrophobicContact CD2-CG1 3.81Å; L655-I692 HydrophobicContact CD1-CB 4.5Å; L655-I692 HydrophobicContact CD1-CD1 4.47Å; L655-I692 HydrophobicContact CD1-CG1 4.17Å; L655-I692 HydrophobicContact CD1-CG2 3.71Å; L655-L696 HydrophobicContact CD1-CD1 4.02Å; L655-L696 HydrophobicContact CD1-CD2 4.48Å; L655-L696 HydrophobicContact CD1-CG 4.35Å; L655-L696 HydrophobicContact CD2-CD2 4.4Å |
| 656 | Q | 87.6 | Confident | 80.8 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -35.5 | 172 | -73.9 | -179.8 | -34 | 0 | 0 | 112 | K652 F653 V659 R660 I695 | K652-Q656 WeakPolarHBondContact O-CG 3.26Å; K652-Q656 PolarHBondContact O-N 2.85Å; F653-Q656 PolarHBondContact O-N 3.13Å; Q656-V659 PolarHBondContact O-N 3.44Å; Q656-R660 WeakPolarHBondContact O-CG 3.24Å; Q656-R660 PolarHBondContact O-N 3.38Å; Q656-I695 HydrophobicContact CG-CD1 3.74Å |
| 657 | E | 84.5 | Confident | 80.8 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.9 | -33.2 | 175.6 | -174.3 | 57.1 | -152.8 | 0 | 0 | 112.8 | L645 F653 G654 L655 V659 R660 Q661 | L645-E657 HydrophobicContact CD1-CB 4.17Å; L645-E657 HydrophobicContact CD1-CG 3.77Å; F653-E657 PolarHBondContact O-N 3.25Å; F653-E657 VanDerWaalsContact O-N 3.13Å; G654-E657 PolarHBondContact O-N 3.4Å; L655-E657 PolarHBondContact O-N 3.32Å; E657-V659 VanDerWaalsContact C-N 3.31Å; E657-V659 PolarHBondContact O-N 3.47Å; E657-R660 PolarHBondContact O-N 3.09Å; E657-Q661 WeakPolarHBondContact O-CG 3.38Å |
| 658 | V | 83.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 170.5 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | I642 G654 L655 R660 Q661 I667 L668 | I642-V658 HydrophobicContact CD1-CG2 3.6Å; I642-V658 HydrophobicContact CG1-CG2 3.94Å; I642-V658 HydrophobicContact CG2-CG2 3.9Å; G654-V658 PolarHBondContact O-N 3.45Å; L655-V658 WeakPolarHBondContact O-CB 3.31Å; L655-V658 PolarHBondContact O-N 3.05Å; V658-R660 PolarHBondContact O-N 3.18Å; V658-Q661 PolarHBondContact O-N 2.96Å; V658-I667 HydrophobicContact CG1-CG2 4.34Å; V658-I667 HydrophobicContact CG2-CG2 4.43Å; V658-L668 HydrophobicContact CG1-CB 4.01Å; V658-L668 HydrophobicContact CG1-CD1 4.4Å |
| 659 | V | 83.6 | Confident | 81.4 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.5 | -21.6 | -179.2 | 166.7 | 0 | 0 | 0 | 0 | 113.1 | L655 Q656 E657 I695 H699 | L655-V659 WeakPolarHBondContact O-CG2 3.36Å; L655-V659 PolarHBondContact O-N 2.69Å; L655-V659 VanDerWaalsContact O-N 3.14Å; Q656-V659 PolarHBondContact O-N 3.44Å; E657-V659 VanDerWaalsContact C-N 3.31Å; E657-V659 PolarHBondContact O-N 3.47Å; V659-I695 HydrophobicContact CG2-CG2 4.1Å; V659-H699 VanDerWaalsContact CG1-NE2 3.33Å; V659-H699 WeakPolarHBondContact CG1-NE2 3.29Å |
| 660 | R | 81.2 | Confident | 81.5 | Confident | 201 Ų | 201 | 48.4 Ų | 48.4 | 76% | 0.758 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -3.2 | 179.5 | -68.6 | -174.2 | 80.5 | 84.7 | 5.4 | 114.9 | Q656 E657 V658 | Q656-R660 WeakPolarHBondContact O-CG 3.24Å; Q656-R660 PolarHBondContact O-N 3.38Å; E657-R660 PolarHBondContact O-N 3.09Å; V658-R660 PolarHBondContact O-N 3.18Å |
| 661 | Q | 75.7 | Confident | 81.7 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -96.6 | 147 | -175.7 | -69.7 | 176.6 | 27 | 0 | 0 | 112.6 | R638 E657 V658 D663 V664 | R638-Q661 VanDerWaalsContact CD-OE1 3.31Å; E657-Q661 WeakPolarHBondContact O-CG 3.38Å; V658-Q661 PolarHBondContact O-N 2.96Å; Q661-D663 PolarHBondContact O-N 3.02Å; Q661-V664 WeakPolarHBondContact O-CG2 3.48Å; Q661-V664 PolarHBondContact O-N 2.84Å |
| 662 | D | 60.7 | Low | 81.9 | Confident | 155 Ų | 155 | 45.1 Ų | 45.1 | 83% | 0.829 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.4 | -173.8 | -50 | -79.8 | 0 | 0 | 0 | 114.8 | ||
| 663 | D | 69.5 | Low | 81.9 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 27.1 | -177.1 | -68.2 | -62.7 | 0 | 0 | 0 | 113.8 | Y634 Q661 D665 S666 I667 | Y634-D663 VanDerWaalsContact CE1-OD2 3.32Å; Y634-D663 WeakPolarHBondContact CE1-OD2 3.4Å; Y634-D663 PolarHBondContact OH-OD2 3.03Å; Q661-D663 PolarHBondContact O-N 3.02Å; D663-D665 PolarHBondContact O-N 3.19Å; D663-D665 VanDerWaalsContact O-N 3.12Å; D663-S666 PolarHBondContact O-N 3.43Å; D663-S666 VanDerWaalsContact O-N 3.08Å; D663-S666 PolarHBondContact O-OG 3.4Å; D663-I667 HydrophobicContact CB-CD1 4.4Å |
| 664 | V | 77.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -34.8 | -62.3 | -169.8 | -172.7 | 0 | 0 | 0 | 0 | 113.5 | Q661 S666 I667 L668 | Q661-V664 WeakPolarHBondContact O-CG2 3.48Å; Q661-V664 PolarHBondContact O-N 2.84Å; V664-S666 PolarHBondContact O-N 3.3Å; V664-S666 VanDerWaalsContact O-N 3.09Å; V664-I667 PolarHBondContact O-N 2.99Å; V664-L668 HydrophobicContact CG1-CB 4.43Å; V664-L668 HydrophobicContact CG1-CD2 4.37Å; V664-L668 WeakPolarHBondContact O-CB 3.35Å; V664-L668 PolarHBondContact O-N 3.1Å |
| 665 | D | 80.9 | Confident | 81.5 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -51.6 | -40.3 | -171.1 | -69 | -21.6 | 0 | 0 | 0 | 113.1 | D663 V669 S702 L703 Y711 | D663-D665 PolarHBondContact O-N 3.19Å; D663-D665 VanDerWaalsContact O-N 3.12Å; D665-V669 WeakPolarHBondContact O-CB 3.44Å; D665-V669 VanDerWaalsContact O-CG2 3.29Å; D665-V669 WeakPolarHBondContact O-CG2 3.37Å; D665-V669 PolarHBondContact O-N 3.43Å; D665-S702 PolarHBondContact OD1-OG 3.04Å; D665-L703 HydrophobicContact CB-CD2 3.68Å; D665-Y711 HydrophobicContact CB-CD2 4.29Å; D665-Y711 HydrophobicContact CB-CE2 3.87Å |
| 666 | S | 81.2 | Confident | 81.2 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -76.4 | -39.9 | -171.5 | 71.4 | 0 | 0 | 0 | 0 | 113.1 | D663 V664 D670 Y711 | D663-S666 PolarHBondContact O-N 3.43Å; D663-S666 VanDerWaalsContact O-N 3.08Å; D663-S666 PolarHBondContact O-OG 3.4Å; V664-S666 PolarHBondContact O-N 3.3Å; V664-S666 VanDerWaalsContact O-N 3.09Å; S666-D670 PolarHBondContact O-N 3.22Å; S666-Y711 WeakPolarHBondContact CA-OH 3.46Å; S666-Y711 WeakPolarHBondContact CB-OH 3.49Å |
| 667 | I | 83.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -78 | -35 | 177.5 | -62.7 | 167 | 0 | 0 | 0 | 109.4 | R638 L639 I642 V658 D663 V664 D670 V671 | R638-I667 HydrophobicContact CB-CD1 3.88Å; R638-I667 HydrophobicContact CG-CD1 3.92Å; L639-I667 HydrophobicContact CD2-CG2 3.99Å; I642-I667 HydrophobicContact CD1-CG2 3.42Å; I642-I667 VanDerWaalsContact CD1-CG2 3.42Å; V658-I667 HydrophobicContact CG1-CG2 4.34Å; V658-I667 HydrophobicContact CG2-CG2 4.43Å; D663-I667 HydrophobicContact CB-CD1 4.4Å; V664-I667 PolarHBondContact O-N 2.99Å; I667-D670 PolarHBondContact O-N 3.25Å; I667-V671 WeakPolarHBondContact O-CG2 3.3Å; I667-V671 PolarHBondContact O-N 3.02Å |
| 668 | L | 86.9 | Confident | 79.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.9 | 179.7 | 59.3 | 0 | 0 | 0 | 111.9 | V658 V664 D670 V671 L672 L696 H699 L703 | V658-L668 HydrophobicContact CG1-CB 4.01Å; V658-L668 HydrophobicContact CG1-CD1 4.4Å; V664-L668 HydrophobicContact CG1-CB 4.43Å; V664-L668 HydrophobicContact CG1-CD2 4.37Å; V664-L668 WeakPolarHBondContact O-CB 3.35Å; V664-L668 PolarHBondContact O-N 3.1Å; L668-D670 VanDerWaalsContact C-N 3.34Å; L668-D670 PolarHBondContact O-N 2.98Å; L668-V671 PolarHBondContact O-N 3.33Å; L668-L672 HydrophobicContact CD1-CD1 4.17Å; L668-L672 HydrophobicContact CD1-CD2 4.44Å; L668-L672 HydrophobicContact CD1-CG 3.93Å; L668-L672 HydrophobicContact CG-CD1 3.95Å; L668-L672 HydrophobicContact CG-CG 4.18Å; L668-L672 WeakPolarHBondContact O-CB 3.5Å; L668-L672 VanDerWaalsContact O-CG 3.27Å; L668-L672 WeakPolarHBondContact O-CG 3.31Å; L668-L672 PolarHBondContact O-N 2.92Å; L668-L696 HydrophobicContact CD1-CD2 3.65Å; L668-H699 HydrophobicContact CD2-CB 3.53Å; L668-L703 HydrophobicContact CD2-CD1 3.97Å; L668-L703 HydrophobicContact CG-CD1 4.21Å |
| 669 | V | 86.9 | Confident | 77.6 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.1 | 164.3 | 0 | 0 | 0 | 0 | 111.7 | D665 V671 L672 N673 L703 Y711 T714 | D665-V669 WeakPolarHBondContact O-CB 3.44Å; D665-V669 VanDerWaalsContact O-CG2 3.29Å; D665-V669 WeakPolarHBondContact O-CG2 3.37Å; D665-V669 PolarHBondContact O-N 3.43Å; V669-V671 PolarHBondContact O-N 3.36Å; V669-L672 PolarHBondContact O-N 2.64Å; V669-N673 PolarHBondContact O-N 3.03Å; V669-N673 PolarHBondContact O-ND2 3.36Å; V669-L703 HydrophobicContact CG2-CD1 3.85Å; V669-L703 HydrophobicContact CG2-CD2 3.61Å; V669-L703 HydrophobicContact CG2-CG 4.37Å; V669-Y711 HydrophobicContact CB-CD1 4.44Å; V669-Y711 HydrophobicContact CG1-CD1 4.18Å; V669-Y711 HydrophobicContact CG1-CE1 4.4Å; V669-Y711 HydrophobicContact CG2-CD1 3.94Å; V669-Y711 HydrophobicContact CG2-CD2 4.15Å; V669-Y711 HydrophobicContact CG2-CE1 4.38Å; V669-Y711 HydrophobicContact CG2-CG 3.82Å; V669-T714 HydrophobicContact CG1-CG2 4.27Å |
| 670 | D | 84.6 | Confident | 75.6 | Confident | 44 Ų | 44 | 62 Ų | 62 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.6 | -65.6 | -14.3 | 0 | 0 | 0 | 111.2 | R635 L639 S666 I667 L668 V674 | R635-D670 WeakPolarHBondContact CD-OD2 3.3Å; R635-D670 IonicContact CZ-OD2 3.89Å; R635-D670 IonicContact NE-OD2 3.25Å; R635-D670 VanDerWaalsContact NH1-CG 3.3Å; R635-D670 IonicContact NH1-OD1 3.88Å; R635-D670 PolarHBondContact NH1-OD1 3.37Å; R635-D670 VanDerWaalsContact NH1-OD1 3.14Å; R635-D670 IonicContact NH1-OD2 2.98Å; R635-D670 PolarHBondContact NH1-OD2 3.38Å; L639-D670 HydrophobicContact CD1-CB 4.17Å; L639-D670 HydrophobicContact CD2-CB 4.32Å; S666-D670 PolarHBondContact O-N 3.22Å; I667-D670 PolarHBondContact O-N 3.25Å; L668-D670 VanDerWaalsContact C-N 3.34Å; L668-D670 PolarHBondContact O-N 2.98Å; D670-V674 PolarHBondContact O-N 3.27Å |
| 671 | V | 85.3 | Confident | 73.6 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | L639 L655 I667 L668 V669 N673 V674 L675 | L639-V671 HydrophobicContact CD2-CG2 3.66Å; L655-V671 HydrophobicContact CD2-CG1 3.81Å; I667-V671 WeakPolarHBondContact O-CG2 3.3Å; I667-V671 PolarHBondContact O-N 3.02Å; L668-V671 PolarHBondContact O-N 3.33Å; V669-V671 PolarHBondContact O-N 3.36Å; V671-N673 VanDerWaalsContact C-N 3.33Å; V671-N673 PolarHBondContact O-N 2.91Å; V671-V674 PolarHBondContact O-N 3.24Å; V671-L675 HydrophobicContact CG1-CD1 4Å; V671-L675 HydrophobicContact CG1-CG 4.38Å; V671-L675 WeakPolarHBondContact O-CG 3.27Å; V671-L675 PolarHBondContact O-N 3.32Å |
| 672 | L | 86.5 | Confident | 71.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 179.1 | -76.6 | 178 | 0 | 0 | 0 | 111.7 | L668 V669 V674 L675 N676 W688 L696 I700 L703 T714 T718 | L668-L672 HydrophobicContact CD1-CD1 4.17Å; L668-L672 HydrophobicContact CD1-CD2 4.44Å; L668-L672 HydrophobicContact CD1-CG 3.93Å; L668-L672 HydrophobicContact CG-CD1 3.95Å; L668-L672 HydrophobicContact CG-CG 4.18Å; L668-L672 WeakPolarHBondContact O-CB 3.5Å; L668-L672 VanDerWaalsContact O-CG 3.27Å; L668-L672 WeakPolarHBondContact O-CG 3.31Å; L668-L672 PolarHBondContact O-N 2.92Å; V669-L672 PolarHBondContact O-N 2.64Å; L672-V674 VanDerWaalsContact C-N 3.32Å; L672-V674 PolarHBondContact O-N 2.92Å; L672-L675 HydrophobicContact CD2-CD1 4.43Å; L672-L675 PolarHBondContact O-N 3.04Å; L672-L675 VanDerWaalsContact O-N 3.15Å; L672-N676 WeakPolarHBondContact O-CB 3.5Å; L672-N676 PolarHBondContact O-N 2.91Å; L672-N676 PolarHBondContact O-ND2 3.4Å; L672-N676 PolarHBondContact O-OD1 3.02Å; L672-W688 HydrophobicContact CD2-CH2 4.08Å; L672-L696 HydrophobicContact CD2-CD1 4.06Å; L672-I700 HydrophobicContact CD1-CG1 4.43Å; L672-L703 HydrophobicContact CD1-CD1 3.83Å; L672-T714 HydrophobicContact CB-CG2 3.66Å; L672-T714 HydrophobicContact CD1-CG2 4.36Å; L672-T718 HydrophobicContact CD2-CG2 3.75Å |
| 673 | N | 85.5 | Confident | 70.6 | Confident | 56 Ų | 56 | 63 Ų | 63 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 175.5 | -78.9 | -54.7 | 0 | 0 | 0 | 112.2 | V669 V671 N676 Q677 T714 | V669-N673 PolarHBondContact O-N 3.03Å; V669-N673 PolarHBondContact O-ND2 3.36Å; V671-N673 VanDerWaalsContact C-N 3.33Å; V671-N673 PolarHBondContact O-N 2.91Å; N673-N676 PolarHBondContact O-N 2.88Å; N673-Q677 WeakPolarHBondContact O-CB 3.09Å; N673-Q677 VanDerWaalsContact O-CG 3.24Å; N673-Q677 WeakPolarHBondContact O-CG 3.35Å; N673-Q677 PolarHBondContact O-N 2.98Å; N673-T714 PolarHBondContact ND2-OG1 3.45Å; N673-T714 PolarHBondContact OD1-OG1 3.29Å |
| 674 | V | 82 | Confident | 69.3 | Low | 81 Ų | 81 | 65.5 Ų | 65.5 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | D670 V671 L672 | D670-V674 PolarHBondContact O-N 3.27Å; V671-V674 PolarHBondContact O-N 3.24Å; L672-V674 VanDerWaalsContact C-N 3.32Å; L672-V674 PolarHBondContact O-N 2.92Å |
| 675 | L | 78.6 | Confident | 67.9 | Low | 25 Ų | 25 | 75.8 Ų | 75.8 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.6 | -34.1 | 173.9 | -67.2 | 172.8 | 0 | 0 | 0 | 112.2 | L651 V671 L672 V687 W688 | L651-L675 HydrophobicContact CD2-CD2 3.98Å; V671-L675 HydrophobicContact CG1-CD1 4Å; V671-L675 HydrophobicContact CG1-CG 4.38Å; V671-L675 WeakPolarHBondContact O-CG 3.27Å; V671-L675 PolarHBondContact O-N 3.32Å; L672-L675 HydrophobicContact CD2-CD1 4.43Å; L672-L675 PolarHBondContact O-N 3.04Å; L672-L675 VanDerWaalsContact O-N 3.15Å; L675-V687 HydrophobicContact CD2-CG1 3.64Å; L675-W688 HydrophobicContact CB-CZ2 4.15Å; L675-W688 HydrophobicContact CD1-CZ2 4.43Å |
| 676 | N | 79.4 | Confident | 66.7 | Low | 24 Ų | 24 | 81 Ų | 81 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -80.2 | -28.7 | -178.1 | -65.1 | -11.8 | 0 | 0 | 0 | 112.7 | L672 N673 K678 T718 L721 | L672-N676 WeakPolarHBondContact O-CB 3.5Å; L672-N676 PolarHBondContact O-N 2.91Å; L672-N676 PolarHBondContact O-ND2 3.4Å; L672-N676 PolarHBondContact O-OD1 3.02Å; N673-N676 PolarHBondContact O-N 2.88Å; N676-K678 PolarHBondContact O-N 3.29Å; N676-K678 VanDerWaalsContact O-N 3.09Å; N676-T718 PolarHBondContact ND2-OG1 3.37Å; N676-L721 HydrophobicContact CB-CD1 3.75Å; N676-L721 VanDerWaalsContact OD1-CD1 3.23Å; N676-L721 WeakPolarHBondContact OD1-CD1 3.32Å |
| 677 | Q | 71.1 | Confident | 66.2 | Low | 146 Ų | 146 | 83.1 Ų | 83.1 | 68% | 0.682 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 7.7 | -179.8 | -80.6 | 175.3 | 0.8 | 0 | 0 | 115.7 | N673 P679 | N673-Q677 WeakPolarHBondContact O-CB 3.09Å; N673-Q677 VanDerWaalsContact O-CG 3.24Å; N673-Q677 WeakPolarHBondContact O-CG 3.35Å; N673-Q677 PolarHBondContact O-N 2.98Å; Q677-P679 WeakPolarHBondContact O-CD 3.14Å |
| 678 | K | 58.3 | Low | 65.9 | Low | 147 Ų | 147 | 84.2 Ų | 84.2 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | trans | -114.9 | 46.5 | -176.5 | -63.2 | -172.1 | 177.5 | -176.4 | 0 | 116.3 | N676 | N676-K678 PolarHBondContact O-N 3.29Å; N676-K678 VanDerWaalsContact O-N 3.09Å | ||
| 679 | P | 49.7 | Very low | 65.8 | Low | 76 Ų | 76 | 87 Ų | 87 | 49% | 0.494 | 43% | 0.427 | S | S | . | . | trans | -78.6 | -29.8 | 177.7 | 30.8 | -31.5 | 0 | 0 | 0 | 114.3 | Q677 F681 | Q677-P679 WeakPolarHBondContact O-CD 3.14Å; P679-F681 PolarHBondContact O-N 3.47Å | ||
| 680 | E | 42.8 | Very low | 65.7 | Low | 173 Ų | 173 | 87.5 Ų | 87.5 | 81% | 0.808 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -85.5 | -9.6 | -159.9 | -54.3 | -163.6 | 142.6 | 0 | 0 | 116.5 | ||
| 681 | F | 39.2 | Very low | 65.7 | Low | 175 Ų | 175 | 87.5 Ų | 87.5 | 77% | 0.768 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -118.7 | 81.9 | -179.6 | -77.2 | -81.9 | 0 | 0 | 0 | 112.8 | P679 C683 | P679-F681 PolarHBondContact O-N 3.47Å; F681-C683 WeakPolarHBondContact O-CB 3.29Å; F681-C683 PolarHBondContact O-N 3.4Å |
| 682 | T | 36.1 | Very low | 65.7 | Low | 151 Ų | 151 | 87 Ų | 87 | 93% | 0.926 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 41.9 | 15.3 | 146.8 | 46.5 | 0 | 0 | 0 | 0 | 120.4 | ||
| 683 | C | 36.8 | Very low | 65.7 | Low | 61 Ų | 61 | 87 Ų | 87 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | trans | -132.9 | 13.4 | -172.2 | -153.3 | 0 | 0 | 0 | 0 | 112.7 | F681 R685 K686 | F681-C683 WeakPolarHBondContact O-CB 3.29Å; F681-C683 PolarHBondContact O-N 3.4Å; C683-R685 PolarHBondContact O-N 3.2Å; C683-K686 PolarHBondContact O-N 2.75Å | ||
| 684 | Y | 41.9 | Very low | 65.8 | Low | 97 Ų | 97 | 85.4 Ų | 85.4 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -48.1 | -30.1 | -176.6 | -163.9 | -85.2 | 0 | 0 | 0 | 113.7 | L721 | Y684-L721 HydrophobicContact CE2-CD2 4.11Å; Y684-L721 WeakPolarHBondContact OH-CD2 3.33Å; Y684-L721 PolarHBondContact OH-O 3.47Å |
| 685 | R | 47.6 | Very low | 66 | Low | 241 Ų | 241 | 82.8 Ų | 82.8 | 91% | 0.909 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -81.3 | -4.2 | -179.7 | -120 | -177.1 | -173.6 | -174 | 2.4 | 116.4 | C683 | C683-R685 PolarHBondContact O-N 3.2Å |
| 686 | K | 57 | Low | 66.4 | Low | 169 Ų | 169 | 81.6 Ų | 81.6 | 74% | 0.735 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -107.3 | -21.1 | -176 | -70.3 | -165.7 | -177.6 | 176.9 | 0 | 115.7 | C683 | C683-K686 PolarHBondContact O-N 2.75Å |
| 687 | V | 70.4 | Confident | 66.9 | Low | 53 Ų | 53 | 80.5 Ų | 80.5 | 32% | 0.321 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -87 | -46.4 | -175.8 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | L651 L675 I692 | L651-V687 HydrophobicContact CD2-CG1 3.96Å; L675-V687 HydrophobicContact CD2-CG1 3.64Å; V687-I692 WeakPolarHBondContact O-CD1 3.43Å |
| 688 | W | 77.6 | Confident | 67.6 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 10% | 0.095 | 37% | 0.374 | C | S | . | . | trans | -87.1 | 128.8 | 176 | -70.5 | 94 | 0 | 0 | 0 | 110.6 | L672 L675 I692 L696 T718 I722 F726 | L672-W688 HydrophobicContact CD2-CH2 4.08Å; L675-W688 HydrophobicContact CB-CZ2 4.15Å; L675-W688 HydrophobicContact CD1-CZ2 4.43Å; W688-I692 HydrophobicContact CE3-CG2 3.93Å; W688-I692 HydrophobicContact CZ3-CG2 3.99Å; W688-L696 HydrophobicContact CH2-CD1 3.8Å; W688-L696 HydrophobicContact CZ3-CD1 3.68Å; W688-T718 HydrophobicContact CH2-CG2 3.52Å; W688-T718 HydrophobicContact CZ2-CG2 4.01Å; W688-T718 HydrophobicContact CZ3-CG2 4.41Å; W688-I722 HydrophobicContact CE3-CD1 4.43Å; W688-I722 HydrophobicContact CE3-CG1 4.06Å; W688-I722 HydrophobicContact CH2-CD1 4.33Å; W688-I722 HydrophobicContact CH2-CG1 4.42Å; W688-I722 HydrophobicContact CZ3-CD1 3.83Å; W688-I722 HydrophobicContact CZ3-CG1 3.9Å; W688-F726 HydrophobicContact CB-CE2 3.87Å; W688-F726 HydrophobicContact CB-CZ 4.12Å | ||
| 689 | T | 83.7 | Confident | 68.9 | Low | 60 Ų | 60 | 71.4 Ų | 71.4 | 37% | 0.368 | 35% | 0.354 | S | S | . | . | trans | -132.7 | 160.1 | 175.4 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | D691 I692 C693 | T689-D691 VanDerWaalsContact C-N 3.26Å; T689-D691 PolarHBondContact O-N 3.33Å; T689-I692 WeakPolarHBondContact O-CA 3.45Å; T689-I692 WeakPolarHBondContact O-CB 3.46Å; T689-I692 PolarHBondContact O-N 3.46Å; T689-I692 WeakPolarHBondContact OG1-CG1 3.44Å; T689-C693 PolarHBondContact O-N 3.05Å; T689-C693 PolarHBondContact O-SG 3.24Å; T689-C693 VanDerWaalsContact O-SG 3.38Å | ||
| 690 | L | 84.4 | Confident | 70.7 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 179.7 | -176 | 62.1 | 0 | 0 | 0 | 111.9 | I692 C693 T694 F730 R749 K752 | L690-I692 PolarHBondContact O-N 2.87Å; L690-C693 WeakPolarHBondContact O-CB 3.46Å; L690-C693 PolarHBondContact O-N 3.5Å; L690-C693 VanDerWaalsContact O-N 3.09Å; L690-T694 PolarHBondContact O-N 2.81Å; L690-T694 VanDerWaalsContact O-N 3.08Å; L690-F730 HydrophobicContact CD1-CE1 3.91Å; L690-R749 HydrophobicContact CD2-CG 3.83Å; L690-K752 HydrophobicContact CD1-CB 4.44Å; L690-K752 HydrophobicContact CD2-CB 3.7Å; L690-K752 HydrophobicContact CD2-CD 4.46Å; L690-K752 HydrophobicContact CG-CB 3.86Å |
| 691 | D | 84.7 | Confident | 72.7 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -17 | 173.6 | -88.9 | 35.2 | 0 | 0 | 0 | 114.6 | K652 T689 I695 K752 | K652-D691 HydrophobicContact CD-CB 4.17Å; K652-D691 WeakPolarHBondContact CE-OD2 3.48Å; K652-D691 IonicContact NZ-OD2 3.29Å; K652-D691 PolarHBondContact NZ-OD2 3.45Å; T689-D691 VanDerWaalsContact C-N 3.26Å; T689-D691 PolarHBondContact O-N 3.33Å; D691-I695 WeakPolarHBondContact O-CD1 3.33Å; D691-I695 WeakPolarHBondContact O-CG1 3.17Å; D691-K752 WeakPolarHBondContact OD1-CD 3.46Å; D691-K752 IonicContact OD1-NZ 3.95Å; D691-K752 PolarHBondContact OD1-NZ 3.42Å |
| 692 | I | 86.8 | Confident | 74.9 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -93.6 | -35.9 | 173.3 | -72.7 | 170.2 | 0 | 0 | 0 | 110.2 | L651 L655 V687 W688 T689 L690 I695 L696 | L651-I692 HydrophobicContact CB-CD1 4.31Å; L651-I692 HydrophobicContact CD2-CD1 3.79Å; L651-I692 HydrophobicContact CG-CD1 3.96Å; L655-I692 HydrophobicContact CD1-CB 4.5Å; L655-I692 HydrophobicContact CD1-CD1 4.47Å; L655-I692 HydrophobicContact CD1-CG1 4.17Å; L655-I692 HydrophobicContact CD1-CG2 3.71Å; V687-I692 WeakPolarHBondContact O-CD1 3.43Å; W688-I692 HydrophobicContact CE3-CG2 3.93Å; W688-I692 HydrophobicContact CZ3-CG2 3.99Å; T689-I692 WeakPolarHBondContact O-CA 3.45Å; T689-I692 WeakPolarHBondContact O-CB 3.46Å; T689-I692 PolarHBondContact O-N 3.46Å; T689-I692 WeakPolarHBondContact OG1-CG1 3.44Å; L690-I692 PolarHBondContact O-N 2.87Å; I692-I695 PolarHBondContact O-N 2.86Å; I692-L696 HydrophobicContact CG2-CD1 3.68Å; I692-L696 HydrophobicContact CG2-CG 4.28Å; I692-L696 WeakPolarHBondContact O-CB 3.27Å; I692-L696 WeakPolarHBondContact O-CG 3.38Å; I692-L696 PolarHBondContact O-N 3.49Å |
| 693 | C | 86.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.6 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | T689 L690 I695 L696 L697 | T689-C693 PolarHBondContact O-N 3.05Å; T689-C693 PolarHBondContact O-SG 3.24Å; T689-C693 VanDerWaalsContact O-SG 3.38Å; L690-C693 WeakPolarHBondContact O-CB 3.46Å; L690-C693 PolarHBondContact O-N 3.5Å; L690-C693 VanDerWaalsContact O-N 3.09Å; C693-I695 PolarHBondContact O-N 3.14Å; C693-L696 PolarHBondContact O-N 3.4Å; C693-L697 WeakPolarHBondContact O-CB 3.36Å; C693-L697 VanDerWaalsContact O-CG 3.28Å; C693-L697 WeakPolarHBondContact O-CG 3.48Å; C693-L697 PolarHBondContact O-N 3.09Å |
| 694 | T | 86.6 | Confident | 79.5 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 14% | 0.135 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.5 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | L690 P698 K752 E755 C756 | L690-T694 PolarHBondContact O-N 2.81Å; L690-T694 VanDerWaalsContact O-N 3.08Å; T694-P698 VanDerWaalsContact O-CD 3.26Å; T694-P698 WeakPolarHBondContact O-CD 3.4Å; T694-K752 HydrophobicContact CG2-CB 3.89Å; T694-K752 HydrophobicContact CG2-CG 4.23Å; T694-E755 WeakPolarHBondContact CB-OE2 3.4Å; T694-E755 WeakPolarHBondContact CG2-OE2 3.49Å; T694-C756 VanDerWaalsContact CG2-SG 3.56Å |
| 695 | I | 86.9 | Confident | 81.4 | Confident | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.138 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.2 | -63.9 | 168.9 | 0 | 0 | 0 | 111.3 | K652 Q656 V659 D691 I692 C693 H699 | K652-I695 HydrophobicContact CG-CD1 3.72Å; Q656-I695 HydrophobicContact CG-CD1 3.74Å; V659-I695 HydrophobicContact CG2-CG2 4.1Å; D691-I695 WeakPolarHBondContact O-CD1 3.33Å; D691-I695 WeakPolarHBondContact O-CG1 3.17Å; I692-I695 PolarHBondContact O-N 2.86Å; C693-I695 PolarHBondContact O-N 3.14Å; I695-H699 PolarHBondContact O-CD2 3.45Å |
| 696 | L | 87.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -88.6 | -32.3 | -168.3 | -69.8 | -177.1 | 0 | 0 | 0 | 114.8 | L655 L668 L672 W688 I692 C693 H699 I700 | L655-L696 HydrophobicContact CD1-CD1 4.02Å; L655-L696 HydrophobicContact CD1-CD2 4.48Å; L655-L696 HydrophobicContact CD1-CG 4.35Å; L655-L696 HydrophobicContact CD2-CD2 4.4Å; L668-L696 HydrophobicContact CD1-CD2 3.65Å; L672-L696 HydrophobicContact CD2-CD1 4.06Å; W688-L696 HydrophobicContact CH2-CD1 3.8Å; W688-L696 HydrophobicContact CZ3-CD1 3.68Å; I692-L696 HydrophobicContact CG2-CD1 3.68Å; I692-L696 HydrophobicContact CG2-CG 4.28Å; I692-L696 WeakPolarHBondContact O-CB 3.27Å; I692-L696 WeakPolarHBondContact O-CG 3.38Å; I692-L696 PolarHBondContact O-N 3.49Å; C693-L696 PolarHBondContact O-N 3.4Å; L696-H699 PolarHBondContact O-N 3.31Å; L696-H699 VanDerWaalsContact O-N 3.11Å; L696-I700 HydrophobicContact CB-CD1 3.97Å; L696-I700 VanDerWaalsContact O-CG1 3.3Å; L696-I700 WeakPolarHBondContact O-CG1 3.44Å; L696-I700 PolarHBondContact O-N 3.27Å |
| 697 | L | 88.3 | Confident | 84 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.3 | -44 | -175.2 | -78 | 167.8 | 0 | 0 | 0 | 114.2 | C693 H699 I700 Q701 L719 I722 C756 C759 L760 I763 | C693-L697 WeakPolarHBondContact O-CB 3.36Å; C693-L697 VanDerWaalsContact O-CG 3.28Å; C693-L697 WeakPolarHBondContact O-CG 3.48Å; C693-L697 PolarHBondContact O-N 3.09Å; L697-H699 VanDerWaalsContact C-N 3.29Å; L697-H699 PolarHBondContact O-N 3.29Å; L697-I700 PolarHBondContact O-N 2.99Å; L697-Q701 PolarHBondContact O-N 3.19Å; L697-Q701 VanDerWaalsContact O-N 3.12Å; L697-L719 HydrophobicContact CD2-CD2 3.75Å; L697-I722 HydrophobicContact CD2-CD1 4.29Å; L697-C756 HydrophobicContact CD1-CB 3.76Å; L697-C759 HydrophobicContact CB-CB 3.9Å; L697-L760 HydrophobicContact CD1-CG 4.22Å; L697-L760 HydrophobicContact CD2-CD2 3.76Å; L697-L760 HydrophobicContact CD2-CG 4.24Å; L697-I763 HydrophobicContact CD2-CD1 4.01Å |
| 698 | P | 85.4 | Confident | 84.3 | Confident | 56 Ų | 56 | 34.3 Ų | 34.3 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 176.2 | -25.2 | 35.2 | 0 | 0 | 0 | 113.9 | T694 Q701 S702 | T694-P698 VanDerWaalsContact O-CD 3.26Å; T694-P698 WeakPolarHBondContact O-CD 3.4Å; P698-Q701 WeakPolarHBondContact O-CB 3.27Å; P698-S702 PolarHBondContact O-N 3.08Å |
| 699 | H | 86.8 | Confident | 84.3 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 22% | 0.218 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -83.9 | -27.8 | 179 | -63.6 | -72.5 | 0 | 0 | 0 | 112.8 | V659 L668 I695 L696 L697 Q701 S702 L703 | V659-H699 VanDerWaalsContact CG1-NE2 3.33Å; V659-H699 WeakPolarHBondContact CG1-NE2 3.29Å; L668-H699 HydrophobicContact CD2-CB 3.53Å; I695-H699 PolarHBondContact O-CD2 3.45Å; L696-H699 PolarHBondContact O-N 3.31Å; L696-H699 VanDerWaalsContact O-N 3.11Å; L697-H699 VanDerWaalsContact C-N 3.29Å; L697-H699 PolarHBondContact O-N 3.29Å; H699-Q701 PolarHBondContact O-N 2.96Å; H699-S702 PolarHBondContact O-N 3.12Å; H699-S702 PolarHBondContact O-OG 3.37Å; H699-L703 WeakPolarHBondContact O-CG 3.28Å; H699-L703 PolarHBondContact O-N 2.94Å |
| 700 | I | 87.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -34.3 | 168.8 | -70 | 165.7 | 0 | 0 | 0 | 110.1 | L672 L696 L697 L703 L704 A715 T718 L719 I722 | L672-I700 HydrophobicContact CD1-CG1 4.43Å; L696-I700 HydrophobicContact CB-CD1 3.97Å; L696-I700 VanDerWaalsContact O-CG1 3.3Å; L696-I700 WeakPolarHBondContact O-CG1 3.44Å; L696-I700 PolarHBondContact O-N 3.27Å; L697-I700 PolarHBondContact O-N 2.99Å; I700-L703 PolarHBondContact O-N 2.81Å; I700-L704 PolarHBondContact O-N 3.17Å; I700-L704 VanDerWaalsContact O-N 3.08Å; I700-A715 HydrophobicContact CG2-CB 4.12Å; I700-T718 HydrophobicContact CD1-CG2 3.62Å; I700-T718 HydrophobicContact CG1-CG2 4.43Å; I700-L719 HydrophobicContact CG2-CD1 3.81Å; I700-L719 HydrophobicContact CG2-CD2 3.72Å; I700-L719 HydrophobicContact CG2-CG 3.58Å; I700-I722 HydrophobicContact CD1-CD1 3.9Å |
| 701 | Q | 85 | Confident | 84.2 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 171.7 | -163.9 | -178.6 | 6.6 | 0 | 0 | 112.9 | L697 P698 H699 L703 L704 R705 I763 D766 | L697-Q701 PolarHBondContact O-N 3.19Å; L697-Q701 VanDerWaalsContact O-N 3.12Å; P698-Q701 WeakPolarHBondContact O-CB 3.27Å; H699-Q701 PolarHBondContact O-N 2.96Å; Q701-L703 VanDerWaalsContact C-N 3.31Å; Q701-L703 PolarHBondContact O-N 2.91Å; Q701-L704 PolarHBondContact O-N 3.36Å; Q701-R705 WeakPolarHBondContact O-CG 3.35Å; Q701-R705 PolarHBondContact O-N 2.92Å; Q701-I763 HydrophobicContact CB-CD1 4.24Å; Q701-I763 HydrophobicContact CB-CG1 3.78Å; Q701-I763 HydrophobicContact CG-CG1 3.83Å; Q701-D766 WeakPolarHBondContact CG-OD2 3.39Å; Q701-D766 PolarHBondContact NE2-OD2 3.04Å |
| 702 | S | 85.3 | Confident | 84.1 | Confident | 42 Ų | 42 | 32.4 Ų | 32.4 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.4 | -36.6 | 174.3 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | D665 P698 H699 R705 S706 | D665-S702 PolarHBondContact OD1-OG 3.04Å; P698-S702 PolarHBondContact O-N 3.08Å; H699-S702 PolarHBondContact O-N 3.12Å; H699-S702 PolarHBondContact O-OG 3.37Å; S702-R705 CarbonylContact O-C 3.51Å; S702-R705 PolarHBondContact O-N 3.29Å; S702-R705 VanDerWaalsContact O-N 3.14Å; S702-S706 PolarHBondContact O-N 3.15Å |
| 703 | L | 85.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 175 | -69.2 | 177.1 | 0 | 0 | 0 | 113.3 | D665 L668 V669 L672 H699 I700 Q701 R705 S706 Y711 A715 | D665-L703 HydrophobicContact CB-CD2 3.68Å; L668-L703 HydrophobicContact CD2-CD1 3.97Å; L668-L703 HydrophobicContact CG-CD1 4.21Å; V669-L703 HydrophobicContact CG2-CD1 3.85Å; V669-L703 HydrophobicContact CG2-CD2 3.61Å; V669-L703 HydrophobicContact CG2-CG 4.37Å; L672-L703 HydrophobicContact CD1-CD1 3.83Å; H699-L703 WeakPolarHBondContact O-CG 3.28Å; H699-L703 PolarHBondContact O-N 2.94Å; I700-L703 PolarHBondContact O-N 2.81Å; Q701-L703 VanDerWaalsContact C-N 3.31Å; Q701-L703 PolarHBondContact O-N 2.91Å; L703-R705 VanDerWaalsContact C-N 3.26Å; L703-R705 PolarHBondContact O-N 3.29Å; L703-S706 WeakPolarHBondContact O-CB 3.26Å; L703-S706 PolarHBondContact O-N 3.2Å; L703-S706 VanDerWaalsContact O-N 3.14Å; L703-Y711 HydrophobicContact CD2-CD2 3.7Å; L703-Y711 HydrophobicContact CD2-CE2 4.43Å; L703-Y711 HydrophobicContact CD2-CG 4.27Å; L703-A715 HydrophobicContact CB-CB 3.94Å |
| 704 | L | 83.8 | Confident | 83.9 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -29 | 172 | -71.2 | 174.2 | 0 | 0 | 0 | 113 | R545 I700 Q701 S706 A715 I716 L719 I763 V767 | R545-L704 PolarHBondContact NH2-O 3.04Å; I700-L704 PolarHBondContact O-N 3.17Å; I700-L704 VanDerWaalsContact O-N 3.08Å; Q701-L704 PolarHBondContact O-N 3.36Å; L704-S706 PolarHBondContact O-N 3.14Å; L704-A715 HydrophobicContact CD2-CB 3.85Å; L704-A715 HydrophobicContact CG-CB 3.99Å; L704-I716 HydrophobicContact CD2-CG1 3.98Å; L704-L719 HydrophobicContact CD1-CD1 3.79Å; L704-I763 HydrophobicContact CD1-CG2 3.85Å; L704-V767 HydrophobicContact CD1-CG2 3.75Å |
| 705 | R | 82.6 | Confident | 83.9 | Confident | 149 Ų | 149 | 35.5 Ų | 35.5 | 56% | 0.562 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.1 | 175.1 | -67.5 | 175.9 | 174.1 | -159.8 | -6 | 113.3 | R545 Q701 S702 L703 D766 | R545-R705 PolarHBondContact NH2-O 2.67Å; Q701-R705 WeakPolarHBondContact O-CG 3.35Å; Q701-R705 PolarHBondContact O-N 2.92Å; S702-R705 CarbonylContact O-C 3.51Å; S702-R705 PolarHBondContact O-N 3.29Å; S702-R705 VanDerWaalsContact O-N 3.14Å; L703-R705 VanDerWaalsContact C-N 3.26Å; L703-R705 PolarHBondContact O-N 3.29Å; R705-D766 IonicContact CZ-OD1 3.37Å; R705-D766 IonicContact CZ-OD2 3.31Å; R705-D766 VanDerWaalsContact CZ-OD2 3.31Å; R705-D766 VanDerWaalsContact NE-CG 3.35Å; R705-D766 IonicContact NE-OD1 3.23Å; R705-D766 PolarHBondContact NE-OD1 3.34Å; R705-D766 IonicContact NE-OD2 2.8Å; R705-D766 PolarHBondContact NE-OD2 3.01Å; R705-D766 VanDerWaalsContact NH2-CG 3.31Å; R705-D766 IonicContact NH2-OD1 2.7Å; R705-D766 PolarHBondContact NH2-OD1 3.3Å; R705-D766 IonicContact NH2-OD2 3.1Å; R705-D766 PolarHBondContact NH2-OD2 3.26Å; R705-D766 VanDerWaalsContact NH2-OD2 3.1Å |
| 706 | S | 82.8 | Confident | 83.9 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | trans | -63.4 | 171.7 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 113.5 | R545 S702 L703 L704 H708 Y711 | R545-S706 PolarHBondContact NH2-O 3.18Å; S702-S706 PolarHBondContact O-N 3.15Å; L703-S706 WeakPolarHBondContact O-CB 3.26Å; L703-S706 PolarHBondContact O-N 3.2Å; L703-S706 VanDerWaalsContact O-N 3.14Å; L704-S706 PolarHBondContact O-N 3.14Å; S706-H708 PolarHBondContact OG-N 2.7Å; S706-H708 PolarHBondContact OG-ND1 3.05Å; S706-Y711 WeakPolarHBondContact OG-CD2 3.5Å | ||
| 707 | K | 76.9 | Confident | 83.8 | Confident | 144 Ų | 144 | 36.2 Ų | 36.2 | 63% | 0.626 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -105.2 | -4.1 | 171.5 | -62.6 | -177.8 | 179.5 | -179.2 | 0 | 113.2 | V548 | V548-K707 PolarHBondContact N-O 3.42Å; V548-K707 VanDerWaalsContact N-O 3.16Å |
| 708 | H | 76.7 | Confident | 83.8 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 18% | 0.181 | 18% | 0.18 | C | C | . | . | trans | -103.7 | 118.7 | -173.7 | -48.3 | 89.8 | 0 | 0 | 0 | 109.6 | S706 S710 Y711 C712 | S706-H708 PolarHBondContact OG-N 2.7Å; S706-H708 PolarHBondContact OG-ND1 3.05Å; H708-S710 VanDerWaalsContact C-N 3.27Å; H708-S710 PolarHBondContact O-N 2.68Å; H708-Y711 HydrophobicContact CB-CD1 3.99Å; H708-Y711 HydrophobicContact CB-CE1 4.47Å; H708-Y711 HydrophobicContact CB-CG 4.05Å; H708-Y711 WeakPolarHBondContact O-CB 3.14Å; H708-Y711 PolarHBondContact O-N 2.98Å; H708-C712 PolarHBondContact O-N 3.39Å | ||
| 709 | D | 77.7 | Confident | 83.9 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 13% | 0.134 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.2 | -38.5 | -177.4 | 172.1 | 66.6 | 0 | 0 | 0 | 113.2 | H549 Y711 C712 R713 | H549-D709 IonicContact CE1-OD2 3.4Å; H549-D709 PolarHBondContact CE1-OD2 3.08Å; H549-D709 IonicContact NE2-OD2 3.83Å; D709-Y711 VanDerWaalsContact C-N 3.32Å; D709-Y711 PolarHBondContact O-N 3.31Å; D709-C712 PolarHBondContact O-N 2.71Å; D709-R713 PolarHBondContact O-N 2.97Å; D709-R713 IonicContact OD1-CZ 3.15Å; D709-R713 IonicContact OD1-NH1 3.78Å; D709-R713 IonicContact OD1-NH2 3.23Å; D709-R713 PolarHBondContact OD1-NH2 2.98Å; D709-R713 IonicContact OD2-CZ 2.97Å; D709-R713 VanDerWaalsContact OD2-CZ 3.29Å; D709-R713 IonicContact OD2-NH1 3.79Å; D709-R713 PolarHBondContact OD2-NH1 3.09Å; D709-R713 IonicContact OD2-NH2 2.68Å; D709-R713 PolarHBondContact OD2-NH2 3.3Å |
| 710 | S | 78.1 | Confident | 83.9 | Confident | 64 Ų | 64 | 31.6 Ų | 31.6 | 45% | 0.448 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.5 | -32.9 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | H708 T714 | H708-S710 VanDerWaalsContact C-N 3.27Å; H708-S710 PolarHBondContact O-N 2.68Å; S710-T714 WeakPolarHBondContact O-CB 3.33Å; S710-T714 PolarHBondContact O-N 2.7Å; S710-T714 PolarHBondContact O-OG1 3.29Å |
| 711 | Y | 86 | Confident | 83.7 | Confident | 15 Ų | 15 | 33 Ų | 33 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.5 | -43.7 | 178.2 | -72.9 | 27.9 | 0 | 0 | 0 | 109.2 | D665 S666 V669 L703 S706 H708 D709 T714 A715 | D665-Y711 HydrophobicContact CB-CD2 4.29Å; D665-Y711 HydrophobicContact CB-CE2 3.87Å; S666-Y711 WeakPolarHBondContact CA-OH 3.46Å; S666-Y711 WeakPolarHBondContact CB-OH 3.49Å; V669-Y711 HydrophobicContact CB-CD1 4.44Å; V669-Y711 HydrophobicContact CG1-CD1 4.18Å; V669-Y711 HydrophobicContact CG1-CE1 4.4Å; V669-Y711 HydrophobicContact CG2-CD1 3.94Å; V669-Y711 HydrophobicContact CG2-CD2 4.15Å; V669-Y711 HydrophobicContact CG2-CE1 4.38Å; V669-Y711 HydrophobicContact CG2-CG 3.82Å; L703-Y711 HydrophobicContact CD2-CD2 3.7Å; L703-Y711 HydrophobicContact CD2-CE2 4.43Å; L703-Y711 HydrophobicContact CD2-CG 4.27Å; S706-Y711 WeakPolarHBondContact OG-CD2 3.5Å; H708-Y711 HydrophobicContact CB-CD1 3.99Å; H708-Y711 HydrophobicContact CB-CE1 4.47Å; H708-Y711 HydrophobicContact CB-CG 4.05Å; H708-Y711 WeakPolarHBondContact O-CB 3.14Å; H708-Y711 PolarHBondContact O-N 2.98Å; D709-Y711 VanDerWaalsContact C-N 3.32Å; D709-Y711 PolarHBondContact O-N 3.31Å; Y711-T714 PolarHBondContact O-N 3.34Å; Y711-A715 WeakPolarHBondContact O-CB 3.37Å; Y711-A715 PolarHBondContact O-N 2.72Å |
| 712 | C | 83.9 | Confident | 83.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 175.1 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | H708 D709 T714 A715 I716 M770 | H708-C712 PolarHBondContact O-N 3.39Å; D709-C712 PolarHBondContact O-N 2.71Å; C712-T714 PolarHBondContact O-N 3.06Å; C712-A715 WeakPolarHBondContact O-CB 3.41Å; C712-A715 PolarHBondContact O-N 3.41Å; C712-I716 WeakPolarHBondContact O-CD1 3.36Å; C712-I716 VanDerWaalsContact O-CG1 3.26Å; C712-I716 WeakPolarHBondContact O-CG1 3.19Å; C712-I716 PolarHBondContact O-N 3.26Å; C712-M770 HydrophobicContact CB-CE 4.06Å |
| 713 | R | 83.2 | Confident | 83.7 | Confident | 86 Ų | 86 | 30 Ų | 30 | 33% | 0.325 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 177.9 | -170.1 | 176.1 | -66.3 | 92.8 | 9.3 | 111.6 | D709 A715 I716 S717 | D709-R713 PolarHBondContact O-N 2.97Å; D709-R713 IonicContact OD1-CZ 3.15Å; D709-R713 IonicContact OD1-NH1 3.78Å; D709-R713 IonicContact OD1-NH2 3.23Å; D709-R713 PolarHBondContact OD1-NH2 2.98Å; D709-R713 IonicContact OD2-CZ 2.97Å; D709-R713 VanDerWaalsContact OD2-CZ 3.29Å; D709-R713 IonicContact OD2-NH1 3.79Å; D709-R713 PolarHBondContact OD2-NH1 3.09Å; D709-R713 IonicContact OD2-NH2 2.68Å; D709-R713 PolarHBondContact OD2-NH2 3.3Å; R713-A715 VanDerWaalsContact C-N 3.3Å; R713-A715 PolarHBondContact O-N 2.69Å; R713-I716 PolarHBondContact O-N 3.3Å; R713-S717 PolarHBondContact O-N 2.99Å; R713-S717 PolarHBondContact O-OG 3.02Å; R713-S717 VanDerWaalsContact O-OG 3.04Å |
| 714 | T | 85.2 | Confident | 83.6 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 176 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | V669 L672 N673 S710 Y711 C712 T718 | V669-T714 HydrophobicContact CG1-CG2 4.27Å; L672-T714 HydrophobicContact CB-CG2 3.66Å; L672-T714 HydrophobicContact CD1-CG2 4.36Å; N673-T714 PolarHBondContact ND2-OG1 3.45Å; N673-T714 PolarHBondContact OD1-OG1 3.29Å; S710-T714 WeakPolarHBondContact O-CB 3.33Å; S710-T714 PolarHBondContact O-N 2.7Å; S710-T714 PolarHBondContact O-OG1 3.29Å; Y711-T714 PolarHBondContact O-N 3.34Å; C712-T714 PolarHBondContact O-N 3.06Å; T714-T718 WeakPolarHBondContact O-CB 3.5Å; T714-T718 PolarHBondContact O-N 3.38Å; T714-T718 PolarHBondContact O-OG1 3.34Å |
| 715 | A | 87.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | I700 L703 L704 Y711 C712 R713 T718 L719 | I700-A715 HydrophobicContact CG2-CB 4.12Å; L703-A715 HydrophobicContact CB-CB 3.94Å; L704-A715 HydrophobicContact CD2-CB 3.85Å; L704-A715 HydrophobicContact CG-CB 3.99Å; Y711-A715 WeakPolarHBondContact O-CB 3.37Å; Y711-A715 PolarHBondContact O-N 2.72Å; C712-A715 WeakPolarHBondContact O-CB 3.41Å; C712-A715 PolarHBondContact O-N 3.41Å; R713-A715 VanDerWaalsContact C-N 3.3Å; R713-A715 PolarHBondContact O-N 2.69Å; A715-T718 PolarHBondContact O-N 3.2Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 3.49Å |
| 716 | I | 86.6 | Confident | 83.5 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -50.4 | 176.5 | -68.8 | 156.1 | 0 | 0 | 0 | 110.9 | L704 C712 R713 T718 L719 L720 E785 I786 L789 | L704-I716 HydrophobicContact CD2-CG1 3.98Å; C712-I716 WeakPolarHBondContact O-CD1 3.36Å; C712-I716 VanDerWaalsContact O-CG1 3.26Å; C712-I716 WeakPolarHBondContact O-CG1 3.19Å; C712-I716 PolarHBondContact O-N 3.26Å; R713-I716 PolarHBondContact O-N 3.3Å; I716-T718 VanDerWaalsContact C-N 3.28Å; I716-T718 PolarHBondContact O-N 2.89Å; I716-L719 PolarHBondContact O-N 3.39Å; I716-L720 HydrophobicContact CG2-CD1 4.06Å; I716-L720 WeakPolarHBondContact O-CG 3.36Å; I716-L720 PolarHBondContact O-N 2.93Å; I716-E785 HydrophobicContact CG2-CB 3.95Å; I716-I786 HydrophobicContact CD1-CD1 4.07Å; I716-I786 HydrophobicContact CD1-CG1 3.59Å; I716-I786 HydrophobicContact CG1-CG1 4.44Å; I716-L789 HydrophobicContact CB-CD2 4.37Å; I716-L789 HydrophobicContact CG1-CD2 4.13Å; I716-L789 HydrophobicContact CG2-CD2 4.14Å |
| 717 | S | 85.5 | Confident | 83.4 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 177.4 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | R713 L720 L721 | R713-S717 PolarHBondContact O-N 2.99Å; R713-S717 PolarHBondContact O-OG 3.02Å; R713-S717 VanDerWaalsContact O-OG 3.04Å; S717-L720 PolarHBondContact O-N 2.93Å; S717-L721 VanDerWaalsContact O-CG 3.29Å; S717-L721 WeakPolarHBondContact O-CG 3.35Å; S717-L721 PolarHBondContact O-N 3.23Å; S717-L721 VanDerWaalsContact O-N 3.1Å |
| 718 | T | 87.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 177.5 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | L672 N676 W688 I700 T714 A715 I716 L721 I722 | L672-T718 HydrophobicContact CD2-CG2 3.75Å; N676-T718 PolarHBondContact ND2-OG1 3.37Å; W688-T718 HydrophobicContact CH2-CG2 3.52Å; W688-T718 HydrophobicContact CZ2-CG2 4.01Å; W688-T718 HydrophobicContact CZ3-CG2 4.41Å; I700-T718 HydrophobicContact CD1-CG2 3.62Å; I700-T718 HydrophobicContact CG1-CG2 4.43Å; T714-T718 WeakPolarHBondContact O-CB 3.5Å; T714-T718 PolarHBondContact O-N 3.38Å; T714-T718 PolarHBondContact O-OG1 3.34Å; A715-T718 PolarHBondContact O-N 3.2Å; I716-T718 VanDerWaalsContact C-N 3.28Å; I716-T718 PolarHBondContact O-N 2.89Å; T718-L721 PolarHBondContact O-N 2.88Å; T718-I722 HydrophobicContact CG2-CD1 4.08Å; T718-I722 WeakPolarHBondContact O-CG1 3.42Å; T718-I722 PolarHBondContact O-N 3.04Å |
| 719 | L | 87.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 177.3 | -72.9 | 169.2 | 0 | 0 | 0 | 112.3 | L697 I700 L704 A715 I716 L721 I722 L723 L760 I763 L789 | L697-L719 HydrophobicContact CD2-CD2 3.75Å; I700-L719 HydrophobicContact CG2-CD1 3.81Å; I700-L719 HydrophobicContact CG2-CD2 3.72Å; I700-L719 HydrophobicContact CG2-CG 3.58Å; L704-L719 HydrophobicContact CD1-CD1 3.79Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 3.49Å; I716-L719 PolarHBondContact O-N 3.39Å; L719-L721 VanDerWaalsContact C-N 3.29Å; L719-L721 PolarHBondContact O-N 3.48Å; L719-I722 PolarHBondContact O-N 3.36Å; L719-L723 WeakPolarHBondContact O-CB 3.28Å; L719-L723 VanDerWaalsContact O-CG 3.27Å; L719-L723 WeakPolarHBondContact O-CG 3.4Å; L719-L723 PolarHBondContact O-N 3.21Å; L719-L760 HydrophobicContact CD2-CD2 4.13Å; L719-I763 HydrophobicContact CD1-CG2 3.72Å; L719-I763 HydrophobicContact CD2-CD1 4.26Å; L719-I763 HydrophobicContact CD2-CG2 4.4Å; L719-L789 HydrophobicContact CB-CD1 3.71Å; L719-L789 HydrophobicContact CB-CD2 4.27Å; L719-L789 HydrophobicContact CD1-CD1 4.42Å; L719-L789 HydrophobicContact CD1-CD2 3.96Å |
| 720 | L | 86.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -38.6 | 175.3 | -72.1 | 170.6 | 0 | 0 | 0 | 111.7 | I716 S717 R724 E785 T788 L789 M792 | I716-L720 HydrophobicContact CG2-CD1 4.06Å; I716-L720 WeakPolarHBondContact O-CG 3.36Å; I716-L720 PolarHBondContact O-N 2.93Å; S717-L720 PolarHBondContact O-N 2.93Å; L720-R724 VanDerWaalsContact O-CB 3.29Å; L720-R724 WeakPolarHBondContact O-CB 3Å; L720-R724 WeakPolarHBondContact O-CD 3.26Å; L720-R724 WeakPolarHBondContact O-CG 3.37Å; L720-R724 PolarHBondContact O-N 2.98Å; L720-E785 HydrophobicContact CD1-CB 4.16Å; L720-T788 HydrophobicContact CD2-CG2 4.02Å; L720-L789 HydrophobicContact CD2-CB 3.97Å; L720-L789 HydrophobicContact CD2-CD1 4.29Å; L720-L789 HydrophobicContact CG-CB 4.37Å; L720-L789 HydrophobicContact CG-CD1 4.49Å; L720-M792 HydrophobicContact CD2-SD 3.96Å |
| 721 | L | 84 | Confident | 84.2 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 15% | 0.152 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.9 | -43.3 | 175.6 | -67.9 | 165.3 | 0 | 0 | 0 | 112.2 | N676 Y684 S717 T718 L719 G725 | N676-L721 HydrophobicContact CB-CD1 3.75Å; N676-L721 VanDerWaalsContact OD1-CD1 3.23Å; N676-L721 WeakPolarHBondContact OD1-CD1 3.32Å; Y684-L721 HydrophobicContact CE2-CD2 4.11Å; Y684-L721 WeakPolarHBondContact OH-CD2 3.33Å; Y684-L721 PolarHBondContact OH-O 3.47Å; S717-L721 VanDerWaalsContact O-CG 3.29Å; S717-L721 WeakPolarHBondContact O-CG 3.35Å; S717-L721 PolarHBondContact O-N 3.23Å; S717-L721 VanDerWaalsContact O-N 3.1Å; T718-L721 PolarHBondContact O-N 2.88Å; L719-L721 VanDerWaalsContact C-N 3.29Å; L719-L721 PolarHBondContact O-N 3.48Å; L721-G725 PolarHBondContact O-N 3.25Å; L721-G725 VanDerWaalsContact O-N 3.1Å |
| 722 | I | 85.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 175.8 | -67.4 | 168.6 | 0 | 0 | 0 | 110.6 | W688 L697 I700 T718 L719 R724 G725 F726 F730 | W688-I722 HydrophobicContact CE3-CD1 4.43Å; W688-I722 HydrophobicContact CE3-CG1 4.06Å; W688-I722 HydrophobicContact CH2-CD1 4.33Å; W688-I722 HydrophobicContact CH2-CG1 4.42Å; W688-I722 HydrophobicContact CZ3-CD1 3.83Å; W688-I722 HydrophobicContact CZ3-CG1 3.9Å; L697-I722 HydrophobicContact CD2-CD1 4.29Å; I700-I722 HydrophobicContact CD1-CD1 3.9Å; T718-I722 HydrophobicContact CG2-CD1 4.08Å; T718-I722 WeakPolarHBondContact O-CG1 3.42Å; T718-I722 PolarHBondContact O-N 3.04Å; L719-I722 PolarHBondContact O-N 3.36Å; I722-R724 PolarHBondContact O-N 2.87Å; I722-G725 PolarHBondContact O-N 2.68Å; I722-G725 VanDerWaalsContact O-N 3.1Å; I722-F726 HydrophobicContact CG2-CD2 4.43Å; I722-F726 WeakPolarHBondContact O-CB 3.45Å; I722-F726 WeakPolarHBondContact O-CD2 3.37Å; I722-F726 PolarHBondContact O-N 3.12Å; I722-F730 HydrophobicContact CG2-CE2 4.22Å; I722-F730 HydrophobicContact CG2-CZ 4.41Å |
| 723 | L | 84.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | -178.7 | -68.8 | 168.3 | 0 | 0 | 0 | 111.9 | L719 G725 S727 L760 L789 M792 L793 L796 | L719-L723 WeakPolarHBondContact O-CB 3.28Å; L719-L723 VanDerWaalsContact O-CG 3.27Å; L719-L723 WeakPolarHBondContact O-CG 3.4Å; L719-L723 PolarHBondContact O-N 3.21Å; L723-G725 VanDerWaalsContact C-N 3.29Å; L723-G725 PolarHBondContact O-N 3.08Å; L723-S727 WeakPolarHBondContact O-CB 3.48Å; L723-S727 PolarHBondContact O-N 3.39Å; L723-S727 PolarHBondContact O-OG 3.08Å; L723-L760 HydrophobicContact CD2-CD1 4.25Å; L723-L760 HydrophobicContact CD2-CD2 4.25Å; L723-L789 HydrophobicContact CD1-CD1 3.48Å; L723-L789 VanDerWaalsContact CD1-CD1 3.48Å; L723-M792 HydrophobicContact CB-CE 3.8Å; L723-M792 HydrophobicContact CB-SD 4.5Å; L723-M792 HydrophobicContact CD1-CB 4.12Å; L723-L793 HydrophobicContact CD1-CD2 3.78Å; L723-L793 HydrophobicContact CD1-CG 3.89Å; L723-L793 HydrophobicContact CD2-CD2 4.04Å; L723-L796 HydrophobicContact CD2-CD2 3.63Å |
| 724 | R | 83.6 | Confident | 83.2 | Confident | 152 Ų | 152 | 33.8 Ų | 33.8 | 57% | 0.574 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -64.3 | -31 | 173.3 | -73.8 | 169 | -177.5 | 160.6 | 1.1 | 113 | L720 I722 M792 | L720-R724 VanDerWaalsContact O-CB 3.29Å; L720-R724 WeakPolarHBondContact O-CB 3Å; L720-R724 WeakPolarHBondContact O-CD 3.26Å; L720-R724 WeakPolarHBondContact O-CG 3.37Å; L720-R724 PolarHBondContact O-N 2.98Å; I722-R724 PolarHBondContact O-N 2.87Å; R724-M792 HydrophobicContact CG-CE 3.84Å; R724-M792 HydrophobicContact CG-SD 4.39Å |
| 725 | G | 80.1 | Confident | 82.6 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -88.8 | -31.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L721 I722 L723 | L721-G725 PolarHBondContact O-N 3.25Å; L721-G725 VanDerWaalsContact O-N 3.1Å; I722-G725 PolarHBondContact O-N 2.68Å; I722-G725 VanDerWaalsContact O-N 3.1Å; L723-G725 VanDerWaalsContact C-N 3.29Å; L723-G725 PolarHBondContact O-N 3.08Å |
| 726 | F | 83.8 | Confident | 81.9 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -125.6 | -11.4 | -164 | -67.6 | -96 | 0 | 0 | 0 | 115.4 | W688 I722 L728 M729 F730 | W688-F726 HydrophobicContact CB-CE2 3.87Å; W688-F726 HydrophobicContact CB-CZ 4.12Å; I722-F726 HydrophobicContact CG2-CD2 4.43Å; I722-F726 WeakPolarHBondContact O-CB 3.45Å; I722-F726 WeakPolarHBondContact O-CD2 3.37Å; I722-F726 PolarHBondContact O-N 3.12Å; F726-L728 PolarHBondContact O-N 3.38Å; F726-M729 HydrophobicContact CD1-CE 3.47Å; F726-M729 VanDerWaalsContact CD1-CE 3.47Å; F726-M729 HydrophobicContact CE1-CE 3.78Å; F726-M729 PolarHBondContact O-N 2.88Å; F726-F730 HydrophobicContact CB-CD2 4.04Å; F726-F730 HydrophobicContact CB-CE1 4.16Å; F726-F730 HydrophobicContact CB-CE2 3.47Å; F726-F730 VanDerWaalsContact CB-CE2 3.47Å; F726-F730 HydrophobicContact CB-CZ 3.54Å; F726-F730 HydrophobicContact CG-CZ 4.28Å; F726-F730 WeakPolarHBondContact O-CD2 3.39Å; F726-F730 WeakPolarHBondContact O-CG 3.2Å; F726-F730 PolarHBondContact O-N 3.3Å |
| 727 | S | 79.8 | Confident | 80.9 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -48.9 | -49.4 | -177 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | L723 M729 F730 I731 | L723-S727 WeakPolarHBondContact O-CB 3.48Å; L723-S727 PolarHBondContact O-N 3.39Å; L723-S727 PolarHBondContact O-OG 3.08Å; S727-M729 PolarHBondContact O-N 3.11Å; S727-F730 WeakPolarHBondContact O-CB 3.14Å; S727-F730 PolarHBondContact O-N 3.3Å; S727-I731 WeakPolarHBondContact O-CG1 3.36Å; S727-I731 PolarHBondContact O-N 3.04Å |
| 728 | L | 80.5 | Confident | 79.7 | Confident | 124 Ų | 124 | 49.1 Ų | 49.1 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.1 | -46.9 | 177.2 | -63.5 | 177.7 | 0 | 0 | 0 | 112 | F726 F730 I731 D732 | F726-L728 PolarHBondContact O-N 3.38Å; L728-F730 VanDerWaalsContact C-N 3.28Å; L728-F730 PolarHBondContact O-N 3.27Å; L728-I731 PolarHBondContact O-N 3.31Å; L728-I731 VanDerWaalsContact O-N 3.13Å; L728-D732 WeakPolarHBondContact O-CB 3.4Å; L728-D732 PolarHBondContact O-N 3.37Å |
| 729 | M | 81.9 | Confident | 78.6 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -29.8 | 177.5 | -66 | -156.4 | -52.5 | 0 | 0 | 113.2 | F726 S727 Y733 R749 | F726-M729 HydrophobicContact CD1-CE 3.47Å; F726-M729 VanDerWaalsContact CD1-CE 3.47Å; F726-M729 HydrophobicContact CE1-CE 3.78Å; F726-M729 PolarHBondContact O-N 2.88Å; S727-M729 PolarHBondContact O-N 3.11Å; M729-Y733 HydrophobicContact CB-CD2 4.5Å; M729-Y733 WeakPolarHBondContact O-CB 3.35Å; M729-Y733 VanDerWaalsContact O-CD2 3.24Å; M729-Y733 WeakPolarHBondContact O-CD2 3.21Å; M729-Y733 PolarHBondContact O-N 2.9Å; M729-Y733 VanDerWaalsContact O-N 3.09Å; M729-R749 PolarHBondContact SD-NH2 2.97Å |
| 730 | F | 83.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 173 | -64.8 | -36.4 | 0 | 0 | 0 | 111.2 | L690 I722 F726 S727 L728 S734 C753 C756 L760 L796 | L690-F730 HydrophobicContact CD1-CE1 3.91Å; I722-F730 HydrophobicContact CG2-CE2 4.22Å; I722-F730 HydrophobicContact CG2-CZ 4.41Å; F726-F730 HydrophobicContact CB-CD2 4.04Å; F726-F730 HydrophobicContact CB-CE1 4.16Å; F726-F730 HydrophobicContact CB-CE2 3.47Å; F726-F730 VanDerWaalsContact CB-CE2 3.47Å; F726-F730 HydrophobicContact CB-CZ 3.54Å; F726-F730 HydrophobicContact CG-CZ 4.28Å; F726-F730 WeakPolarHBondContact O-CD2 3.39Å; F726-F730 WeakPolarHBondContact O-CG 3.2Å; F726-F730 PolarHBondContact O-N 3.3Å; S727-F730 WeakPolarHBondContact O-CB 3.14Å; S727-F730 PolarHBondContact O-N 3.3Å; L728-F730 VanDerWaalsContact C-N 3.28Å; L728-F730 PolarHBondContact O-N 3.27Å; F730-S734 WeakPolarHBondContact O-CB 3.42Å; F730-S734 PolarHBondContact O-N 2.98Å; F730-S734 PolarHBondContact O-OG 3.28Å; F730-C753 HydrophobicContact CD1-CB 4.3Å; F730-C756 HydrophobicContact CD1-CB 4.16Å; F730-C756 HydrophobicContact CE1-CB 3.48Å; F730-C756 VanDerWaalsContact CE1-CB 3.48Å; F730-C756 HydrophobicContact CZ-CB 3.79Å; F730-L760 HydrophobicContact CD2-CD1 3.87Å; F730-L760 HydrophobicContact CE2-CD1 3.66Å; F730-L760 HydrophobicContact CZ-CD1 4.37Å; F730-L796 HydrophobicContact CB-CD1 4.22Å; F730-L796 HydrophobicContact CD2-CD2 4.43Å |
| 731 | I | 80.4 | Confident | 76.6 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.138 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.5 | -50.4 | 176.3 | -62.7 | 162.7 | 0 | 0 | 0 | 110.6 | S727 L728 Y733 S734 K735 L796 | S727-I731 WeakPolarHBondContact O-CG1 3.36Å; S727-I731 PolarHBondContact O-N 3.04Å; L728-I731 PolarHBondContact O-N 3.31Å; L728-I731 VanDerWaalsContact O-N 3.13Å; I731-Y733 PolarHBondContact O-N 3.26Å; I731-S734 PolarHBondContact O-N 3.41Å; I731-S734 PolarHBondContact O-OG 3.1Å; I731-K735 HydrophobicContact CG2-CD 4.21Å; I731-K735 WeakPolarHBondContact O-CG 3.45Å; I731-K735 PolarHBondContact O-N 3.48Å; I731-L796 HydrophobicContact CD1-CD1 3.99Å; I731-L796 HydrophobicContact CG1-CD1 3.58Å |
| 732 | D | 80.6 | Confident | 75.8 | Confident | 97 Ų | 97 | 64.9 Ų | 64.9 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | -177.7 | -63.6 | -25.7 | 0 | 0 | 0 | 111.5 | L728 K735 M736 | L728-D732 WeakPolarHBondContact O-CB 3.4Å; L728-D732 PolarHBondContact O-N 3.37Å; D732-K735 PolarHBondContact O-N 3.23Å; D732-M736 PolarHBondContact O-N 2.94Å |
| 733 | Y | 79.4 | Confident | 75.2 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -79.1 | -19.3 | -178.2 | -75.6 | -108.1 | 0 | 0 | 0 | 113.3 | M729 I731 K735 M736 R749 A750 | M729-Y733 HydrophobicContact CB-CD2 4.5Å; M729-Y733 WeakPolarHBondContact O-CB 3.35Å; M729-Y733 VanDerWaalsContact O-CD2 3.24Å; M729-Y733 WeakPolarHBondContact O-CD2 3.21Å; M729-Y733 PolarHBondContact O-N 2.9Å; M729-Y733 VanDerWaalsContact O-N 3.09Å; I731-Y733 PolarHBondContact O-N 3.26Å; Y733-K735 VanDerWaalsContact C-N 3.29Å; Y733-M736 HydrophobicContact CD1-CE 3.49Å; Y733-M736 VanDerWaalsContact CD1-CE 3.49Å; Y733-M736 HydrophobicContact CE1-CE 3.52Å; Y733-M736 HydrophobicContact CG-CE 4.3Å; Y733-R749 HydrophobicContact CD1-CB 4.39Å; Y733-R749 HydrophobicContact CD1-CG 4Å; Y733-R749 HydrophobicContact CE1-CB 4.01Å; Y733-R749 VanDerWaalsContact CE1-CD 3.48Å; Y733-R749 HydrophobicContact CE1-CG 3.57Å; Y733-R749 WeakPolarHBondContact OH-CD 3.38Å; Y733-R749 PolarHBondContact OH-NE 3.19Å; Y733-A750 HydrophobicContact CD1-CB 4.15Å |
| 734 | S | 73.2 | Confident | 74.8 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.7 | -27.6 | 168.7 | 71.2 | 0 | 0 | 0 | 0 | 113.1 | F730 I731 | F730-S734 WeakPolarHBondContact O-CB 3.42Å; F730-S734 PolarHBondContact O-N 2.98Å; F730-S734 PolarHBondContact O-OG 3.28Å; I731-S734 PolarHBondContact O-N 3.41Å; I731-S734 PolarHBondContact O-OG 3.1Å |
| 735 | K | 72.3 | Confident | 74.6 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -89.6 | -8 | -179.8 | -67.8 | 174.7 | -179.8 | -177.6 | 0 | 112.9 | I731 D732 Y733 Q737 S799 S802 | I731-K735 HydrophobicContact CG2-CD 4.21Å; I731-K735 WeakPolarHBondContact O-CG 3.45Å; I731-K735 PolarHBondContact O-N 3.48Å; D732-K735 PolarHBondContact O-N 3.23Å; Y733-K735 VanDerWaalsContact C-N 3.29Å; K735-Q737 PolarHBondContact O-N 3.32Å; K735-S799 WeakPolarHBondContact CE-O 3.48Å; K735-S799 PolarHBondContact NZ-O 3.24Å; K735-S802 PolarHBondContact NZ-OG 3.07Å |
| 736 | M | 72.9 | Confident | 74.4 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | trans | -91.2 | 102 | -174.7 | -169.5 | 170.7 | 64.1 | 0 | 0 | 112.2 | D732 Y733 C738 A750 | D732-M736 PolarHBondContact O-N 2.94Å; Y733-M736 HydrophobicContact CD1-CE 3.49Å; Y733-M736 VanDerWaalsContact CD1-CE 3.49Å; Y733-M736 HydrophobicContact CE1-CE 3.52Å; Y733-M736 HydrophobicContact CG-CE 4.3Å; M736-C738 PolarHBondContact O-N 2.8Å; M736-A750 HydrophobicContact CE-CB 4.36Å | ||
| 737 | Q | 65 | Low | 74.2 | Confident | 178 Ų | 178 | 73.1 Ų | 73.1 | 83% | 0.832 | 41% | 0.413 | S | S | * | . | trans | -80.3 | 102.5 | 166.4 | -64.6 | -175.6 | 0.6 | 0 | 0 | 110 | K735 | K735-Q737 PolarHBondContact O-N 3.32Š| ||
| 738 | C | 61.7 | Low | 74.4 | Confident | 44 Ų | 44 | 76 Ų | 76 | 30% | 0.297 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 132.1 | 170.1 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | M736 | M736-C738 PolarHBondContact O-N 2.8Š|
| 739 | P | 64.3 | Low | 74.4 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 132.5 | 165 | -15.2 | 29.1 | 0 | 0 | 0 | 109.7 | T742 | P739-T742 PolarHBondContact O-N 2.96Å; P739-T742 PolarHBondContact O-OG1 3.41Å |
| 740 | P | 67.1 | Low | 74.5 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 71% | 0.714 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 138.6 | -169.8 | 24.4 | -34.6 | 0 | 0 | 0 | 112.1 | T742 | P740-T742 VanDerWaalsContact C-N 3.28Å; P740-T742 PolarHBondContact O-N 2.81Å |
| 741 | G | 64.3 | Low | 74.5 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -3.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | E747 | G741-E747 PolarHBondContact N-OE2 3.37Š|
| 742 | T | 66.4 | Low | 74.8 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -69.2 | -37.4 | -179.6 | -42.4 | 0 | 0 | 0 | 0 | 112.3 | P739 P740 | P739-T742 PolarHBondContact O-N 2.96Å; P739-T742 PolarHBondContact O-OG1 3.41Å; P740-T742 VanDerWaalsContact C-N 3.28Å; P740-T742 PolarHBondContact O-N 2.81Å |
| 743 | N | 73.7 | Confident | 75.1 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 40% | 0.401 | 40% | 0.404 | S | S | . | . | trans | -158.6 | 104.7 | 171.3 | 175.8 | -4.9 | 0 | 0 | 0 | 110.2 | T745 T746 E747 | N743-T745 PolarHBondContact O-N 3.4Å; N743-T745 PolarHBondContact OD1-N 3.1Å; N743-T745 PolarHBondContact OD1-OG1 3.4Å; N743-T746 VanDerWaalsContact CB-OG1 3.28Å; N743-T746 WeakPolarHBondContact CB-OG1 3.49Å; N743-T746 VanDerWaalsContact CG-OG1 3.28Å; N743-T746 PolarHBondContact O-N 3Å; N743-T746 PolarHBondContact O-OG1 3.04Å; N743-E747 PolarHBondContact O-N 3.15Å | ||
| 744 | I | 77.1 | Confident | 75.3 | Confident | 114 Ų | 114 | 78 Ų | 78 | 59% | 0.585 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -55.4 | -38.2 | -177.2 | -58.7 | 168.4 | 0 | 0 | 0 | 111.7 | T746 E747 E748 | I744-T746 VanDerWaalsContact C-N 3.35Å; I744-T746 PolarHBondContact O-N 2.88Å; I744-E747 PolarHBondContact O-N 3Å; I744-E748 HydrophobicContact CG2-CG 4.43Å; I744-E748 PolarHBondContact O-N 2.88Å |
| 745 | T | 78.7 | Confident | 75.9 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.3 | -29.4 | -176.1 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | N743 R749 | N743-T745 PolarHBondContact O-N 3.4Å; N743-T745 PolarHBondContact OD1-N 3.1Å; N743-T745 PolarHBondContact OD1-OG1 3.4Å; T745-R749 WeakPolarHBondContact O-CB 3.36Å; T745-R749 PolarHBondContact O-N 3.04Å |
| 746 | T | 76.3 | Confident | 76.6 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 25% | 0.245 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -82 | -31.2 | 171.6 | 42.8 | 0 | 0 | 0 | 0 | 112.1 | N743 I744 R749 A750 | N743-T746 VanDerWaalsContact CB-OG1 3.28Å; N743-T746 WeakPolarHBondContact CB-OG1 3.49Å; N743-T746 VanDerWaalsContact CG-OG1 3.28Å; N743-T746 PolarHBondContact O-N 3Å; N743-T746 PolarHBondContact O-OG1 3.04Å; I744-T746 VanDerWaalsContact C-N 3.35Å; I744-T746 PolarHBondContact O-N 2.88Å; T746-R749 PolarHBondContact O-N 3.23Å; T746-A750 WeakPolarHBondContact O-CB 3.26Å; T746-A750 PolarHBondContact O-N 3.39Å |
| 747 | E | 79.4 | Confident | 77.2 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -51.3 | 177.6 | -167.1 | 164.9 | -177.2 | 0 | 0 | 111.3 | G741 N743 I744 R749 A750 E751 | G741-E747 PolarHBondContact N-OE2 3.37Å; N743-E747 PolarHBondContact O-N 3.15Å; I744-E747 PolarHBondContact O-N 3Å; E747-R749 PolarHBondContact O-N 3.43Å; E747-A750 PolarHBondContact O-N 3.19Å; E747-E751 WeakPolarHBondContact O-CB 3.49Å; E747-E751 PolarHBondContact O-N 3.45Å |
| 748 | E | 82.7 | Confident | 78.2 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -53.4 | -40.3 | 170.1 | -83 | -169.6 | -139.8 | 0 | 0 | 112.3 | I744 E751 K752 | I744-E748 HydrophobicContact CG2-CG 4.43Å; I744-E748 PolarHBondContact O-N 2.88Å; E748-E751 PolarHBondContact O-N 3.4Å; E748-K752 WeakPolarHBondContact O-CB 3.43Å; E748-K752 WeakPolarHBondContact O-CD 3.48Å; E748-K752 VanDerWaalsContact O-CG 3.23Å; E748-K752 WeakPolarHBondContact O-CG 3.42Å; E748-K752 PolarHBondContact O-N 3.49Å; E748-K752 IonicContact OE2-NZ 3.46Å; E748-K752 PolarHBondContact OE2-NZ 2.96Å |
| 749 | R | 82.1 | Confident | 79.3 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 36% | 0.362 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.4 | -40.2 | -177.2 | -171.6 | 175.2 | -178.3 | 118.8 | -1.6 | 111.3 | L690 M729 Y733 T745 T746 E747 C753 | L690-R749 HydrophobicContact CD2-CG 3.83Å; M729-R749 PolarHBondContact SD-NH2 2.97Å; Y733-R749 HydrophobicContact CD1-CB 4.39Å; Y733-R749 HydrophobicContact CD1-CG 4Å; Y733-R749 HydrophobicContact CE1-CB 4.01Å; Y733-R749 VanDerWaalsContact CE1-CD 3.48Å; Y733-R749 HydrophobicContact CE1-CG 3.57Å; Y733-R749 WeakPolarHBondContact OH-CD 3.38Å; Y733-R749 PolarHBondContact OH-NE 3.19Å; T745-R749 WeakPolarHBondContact O-CB 3.36Å; T745-R749 PolarHBondContact O-N 3.04Å; T746-R749 PolarHBondContact O-N 3.23Å; E747-R749 PolarHBondContact O-N 3.43Å; R749-C753 WeakPolarHBondContact O-CB 3.3Å; R749-C753 PolarHBondContact O-N 3.34Å; R749-C753 PolarHBondContact O-SG 3.17Å; R749-C753 VanDerWaalsContact O-SG 3.37Å |
| 750 | A | 82.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66 | -39.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y733 M736 T746 E747 C753 R754 | Y733-A750 HydrophobicContact CD1-CB 4.15Å; M736-A750 HydrophobicContact CE-CB 4.36Å; T746-A750 WeakPolarHBondContact O-CB 3.26Å; T746-A750 PolarHBondContact O-N 3.39Å; E747-A750 PolarHBondContact O-N 3.19Å; A750-C753 PolarHBondContact O-N 3.47Å; A750-R754 WeakPolarHBondContact O-CG 3.26Å; A750-R754 PolarHBondContact O-N 2.89Å |
| 751 | E | 84.9 | Confident | 81.2 | Confident | 123 Ų | 123 | 61.8 Ų | 61.8 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.8 | -51.3 | 175.2 | -173.9 | 174.8 | -145.1 | 0 | 0 | 112.3 | E747 E748 C753 R754 E755 | E747-E751 WeakPolarHBondContact O-CB 3.49Å; E747-E751 PolarHBondContact O-N 3.45Å; E748-E751 PolarHBondContact O-N 3.4Å; E751-C753 VanDerWaalsContact C-N 3.29Å; E751-C753 PolarHBondContact O-N 3.14Å; E751-R754 WeakPolarHBondContact O-CA 3.36Å; E751-R754 WeakPolarHBondContact O-CB 3.5Å; E751-R754 PolarHBondContact O-N 3.09Å; E751-E755 PolarHBondContact O-N 3.4Å |
| 752 | K | 86.8 | Confident | 82.2 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 176 | -68.4 | 165.1 | -169 | 172.8 | 0 | 112.5 | L690 D691 T694 E748 C756 | L690-K752 HydrophobicContact CD1-CB 4.44Å; L690-K752 HydrophobicContact CD2-CB 3.7Å; L690-K752 HydrophobicContact CD2-CD 4.46Å; L690-K752 HydrophobicContact CG-CB 3.86Å; D691-K752 WeakPolarHBondContact OD1-CD 3.46Å; D691-K752 IonicContact OD1-NZ 3.95Å; D691-K752 PolarHBondContact OD1-NZ 3.42Å; T694-K752 HydrophobicContact CG2-CB 3.89Å; T694-K752 HydrophobicContact CG2-CG 4.23Å; E748-K752 WeakPolarHBondContact O-CB 3.43Å; E748-K752 WeakPolarHBondContact O-CD 3.48Å; E748-K752 VanDerWaalsContact O-CG 3.23Å; E748-K752 WeakPolarHBondContact O-CG 3.42Å; E748-K752 PolarHBondContact O-N 3.49Å; E748-K752 IonicContact OE2-NZ 3.46Å; E748-K752 PolarHBondContact OE2-NZ 2.96Å; K752-C756 WeakPolarHBondContact O-CB 3.01Å; K752-C756 PolarHBondContact O-N 2.95Å; K752-C756 PolarHBondContact O-SG 3.22Å; K752-C756 VanDerWaalsContact O-SG 3.4Å |
| 753 | C | 85.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 171.1 | -77.6 | 0 | 0 | 0 | 0 | 111.9 | F730 R749 A750 E751 C756 C757 | F730-C753 HydrophobicContact CD1-CB 4.3Å; R749-C753 WeakPolarHBondContact O-CB 3.3Å; R749-C753 PolarHBondContact O-N 3.34Å; R749-C753 PolarHBondContact O-SG 3.17Å; R749-C753 VanDerWaalsContact O-SG 3.37Å; A750-C753 PolarHBondContact O-N 3.47Å; E751-C753 VanDerWaalsContact C-N 3.29Å; E751-C753 PolarHBondContact O-N 3.14Å; C753-C756 PolarHBondContact O-N 2.98Å; C753-C757 WeakPolarHBondContact O-CB 3.39Å; C753-C757 PolarHBondContact O-N 2.92Å; C753-C757 PolarHBondContact O-SG 2.9Å |
| 754 | R | 84.3 | Confident | 83.6 | Confident | 123 Ų | 123 | 58.6 Ų | 58.6 | 46% | 0.464 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.6 | -72.9 | -177.6 | -64.7 | -104.3 | 4.7 | 112.4 | A750 E751 C757 C758 | A750-R754 WeakPolarHBondContact O-CG 3.26Å; A750-R754 PolarHBondContact O-N 2.89Å; E751-R754 WeakPolarHBondContact O-CA 3.36Å; E751-R754 WeakPolarHBondContact O-CB 3.5Å; E751-R754 PolarHBondContact O-N 3.09Å; R754-C757 PolarHBondContact O-N 2.92Å; R754-C758 PolarHBondContact O-N 3.3Å |
| 755 | E | 86.2 | Confident | 83.8 | Confident | 99 Ų | 99 | 57 Ų | 57 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -51.6 | 173.3 | -175.9 | -178.9 | -145 | 0 | 0 | 111.1 | T694 E751 C757 C758 C759 | T694-E755 WeakPolarHBondContact CB-OE2 3.4Å; T694-E755 WeakPolarHBondContact CG2-OE2 3.49Å; E751-E755 PolarHBondContact O-N 3.4Å; E755-C757 VanDerWaalsContact C-N 3.33Å; E755-C757 PolarHBondContact O-N 3.2Å; E755-C758 WeakPolarHBondContact O-CB 3.29Å; E755-C758 PolarHBondContact O-N 3.43Å; E755-C758 VanDerWaalsContact O-N 3.14Å; E755-C759 PolarHBondContact O-N 3.14Å; E755-C759 VanDerWaalsContact O-N 3.08Å |
| 756 | C | 87.2 | Confident | 84 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.6 | -44.5 | 173.8 | -76.6 | 0 | 0 | 0 | 0 | 112.5 | T694 L697 F730 K752 C753 C758 C759 L760 | T694-C756 VanDerWaalsContact CG2-SG 3.56Å; L697-C756 HydrophobicContact CD1-CB 3.76Å; F730-C756 HydrophobicContact CD1-CB 4.16Å; F730-C756 HydrophobicContact CE1-CB 3.48Å; F730-C756 VanDerWaalsContact CE1-CB 3.48Å; F730-C756 HydrophobicContact CZ-CB 3.79Å; K752-C756 WeakPolarHBondContact O-CB 3.01Å; K752-C756 PolarHBondContact O-N 2.95Å; K752-C756 PolarHBondContact O-SG 3.22Å; K752-C756 VanDerWaalsContact O-SG 3.4Å; C753-C756 PolarHBondContact O-N 2.98Å; C756-C758 PolarHBondContact O-N 2.92Å; C756-C759 PolarHBondContact O-N 3.48Å; C756-L760 WeakPolarHBondContact O-CB 3.46Å; C756-L760 VanDerWaalsContact O-CG 3.26Å; C756-L760 WeakPolarHBondContact O-CG 3.3Å; C756-L760 PolarHBondContact O-N 2.94Å |
| 757 | C | 84.7 | Confident | 84.2 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 8% | 0.081 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 176.2 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | C753 R754 E755 C759 L760 M761 I800 | C753-C757 WeakPolarHBondContact O-CB 3.39Å; C753-C757 PolarHBondContact O-N 2.92Å; C753-C757 PolarHBondContact O-SG 2.9Å; R754-C757 PolarHBondContact O-N 2.92Å; E755-C757 VanDerWaalsContact C-N 3.33Å; E755-C757 PolarHBondContact O-N 3.2Å; C757-C759 PolarHBondContact O-N 3.47Å; C757-L760 PolarHBondContact O-N 2.91Å; C757-M761 WeakPolarHBondContact O-CG 3.36Å; C757-M761 PolarHBondContact O-N 3.25Å; C757-I800 HydrophobicContact CB-CD1 4.4Å |
| 758 | C | 85.6 | Confident | 84.3 | Confident | 68 Ų | 68 | 51 Ų | 51 | 46% | 0.459 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 177.7 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | R754 E755 C756 M761 Q762 | R754-C758 PolarHBondContact O-N 3.3Å; E755-C758 WeakPolarHBondContact O-CB 3.29Å; E755-C758 PolarHBondContact O-N 3.43Å; E755-C758 VanDerWaalsContact O-N 3.14Å; C756-C758 PolarHBondContact O-N 2.92Å; C758-M761 PolarHBondContact O-N 3.41Å; C758-Q762 WeakPolarHBondContact O-CG 3.47Å; C758-Q762 PolarHBondContact O-N 3.4Å |
| 759 | C | 85.5 | Confident | 84.1 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | L697 E755 C756 C757 M761 Q762 I763 | L697-C759 HydrophobicContact CB-CB 3.9Å; E755-C759 PolarHBondContact O-N 3.14Å; E755-C759 VanDerWaalsContact O-N 3.08Å; C756-C759 PolarHBondContact O-N 3.48Å; C757-C759 PolarHBondContact O-N 3.47Å; C759-M761 VanDerWaalsContact C-N 3.33Å; C759-M761 PolarHBondContact O-N 2.96Å; C759-Q762 PolarHBondContact O-N 3.42Å; C759-I763 WeakPolarHBondContact O-CB 3.41Å; C759-I763 WeakPolarHBondContact O-CD1 3.25Å; C759-I763 VanDerWaalsContact O-CG1 3.26Å; C759-I763 WeakPolarHBondContact O-CG1 3.27Å; C759-I763 PolarHBondContact O-N 3.4Å |
| 760 | L | 87.2 | Confident | 83.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -32.6 | 178.8 | -72.9 | 168.7 | 0 | 0 | 0 | 113 | L697 L719 L723 F730 C756 C757 R764 L793 L796 | L697-L760 HydrophobicContact CD1-CG 4.22Å; L697-L760 HydrophobicContact CD2-CD2 3.76Å; L697-L760 HydrophobicContact CD2-CG 4.24Å; L719-L760 HydrophobicContact CD2-CD2 4.13Å; L723-L760 HydrophobicContact CD2-CD1 4.25Å; L723-L760 HydrophobicContact CD2-CD2 4.25Å; F730-L760 HydrophobicContact CD2-CD1 3.87Å; F730-L760 HydrophobicContact CE2-CD1 3.66Å; F730-L760 HydrophobicContact CZ-CD1 4.37Å; C756-L760 WeakPolarHBondContact O-CB 3.46Å; C756-L760 VanDerWaalsContact O-CG 3.26Å; C756-L760 WeakPolarHBondContact O-CG 3.3Å; C756-L760 PolarHBondContact O-N 2.94Å; C757-L760 PolarHBondContact O-N 2.91Å; L760-R764 PolarHBondContact O-N 3.41Å; L760-L793 HydrophobicContact CB-CD2 4.43Å; L760-L793 HydrophobicContact CD2-CD2 4.02Å; L760-L796 HydrophobicContact CD1-CD2 3.93Å |
| 761 | M | 83.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 30% | 0.296 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -48 | 171.7 | -65.5 | -85 | 176.1 | 0 | 0 | 111.1 | C757 C758 C759 I763 R764 D765 V797 I800 | C757-M761 WeakPolarHBondContact O-CG 3.36Å; C757-M761 PolarHBondContact O-N 3.25Å; C758-M761 PolarHBondContact O-N 3.41Å; C759-M761 VanDerWaalsContact C-N 3.33Å; C759-M761 PolarHBondContact O-N 2.96Å; M761-I763 VanDerWaalsContact C-N 3.35Å; M761-I763 PolarHBondContact O-N 3.24Å; M761-R764 WeakPolarHBondContact O-CB 3.45Å; M761-R764 PolarHBondContact O-N 3.14Å; M761-D765 PolarHBondContact O-N 3.41Å; M761-V797 HydrophobicContact CE-CB 4.21Å; M761-V797 HydrophobicContact CE-CG1 3.97Å; M761-V797 HydrophobicContact CE-CG2 3.79Å; M761-V797 HydrophobicContact SD-CB 4.19Å; M761-V797 HydrophobicContact SD-CG1 3.77Å; M761-V797 HydrophobicContact SD-CG2 3.45Å; M761-V797 WeakPolarHBondContact SD-CG2 3.41Å; M761-I800 HydrophobicContact CE-CB 4.35Å; M761-I800 HydrophobicContact CE-CD1 4.16Å; M761-I800 HydrophobicContact CE-CG2 4.17Å |
| 762 | Q | 85.3 | Confident | 82.6 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 178.5 | -62.2 | 176.1 | 32.9 | 0 | 0 | 112.1 | C758 C759 D765 D766 | C758-Q762 WeakPolarHBondContact O-CG 3.47Å; C758-Q762 PolarHBondContact O-N 3.4Å; C759-Q762 PolarHBondContact O-N 3.42Å; Q762-D765 PolarHBondContact O-N 3.07Å; Q762-D766 PolarHBondContact O-N 3.12Å |
| 763 | I | 86 | Confident | 81.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 173.7 | -72.3 | 164.4 | 0 | 0 | 0 | 111.4 | L697 Q701 L704 L719 C759 M761 D765 D766 V767 L793 | L697-I763 HydrophobicContact CD2-CD1 4.01Å; Q701-I763 HydrophobicContact CB-CD1 4.24Å; Q701-I763 HydrophobicContact CB-CG1 3.78Å; Q701-I763 HydrophobicContact CG-CG1 3.83Å; L704-I763 HydrophobicContact CD1-CG2 3.85Å; L719-I763 HydrophobicContact CD1-CG2 3.72Å; L719-I763 HydrophobicContact CD2-CD1 4.26Å; L719-I763 HydrophobicContact CD2-CG2 4.4Å; C759-I763 WeakPolarHBondContact O-CB 3.41Å; C759-I763 WeakPolarHBondContact O-CD1 3.25Å; C759-I763 VanDerWaalsContact O-CG1 3.26Å; C759-I763 WeakPolarHBondContact O-CG1 3.27Å; C759-I763 PolarHBondContact O-N 3.4Å; M761-I763 VanDerWaalsContact C-N 3.35Å; M761-I763 PolarHBondContact O-N 3.24Å; I763-D765 VanDerWaalsContact C-N 3.32Å; I763-D765 PolarHBondContact O-N 3.46Å; I763-D766 PolarHBondContact O-N 3.21Å; I763-V767 HydrophobicContact CG2-CG2 4.17Å; I763-V767 VanDerWaalsContact O-CG2 3.28Å; I763-V767 WeakPolarHBondContact O-CG2 3.37Å; I763-V767 PolarHBondContact O-N 3.36Å; I763-L793 HydrophobicContact CG2-CD1 4.33Å |
| 764 | R | 84.3 | Confident | 80.2 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.4 | -49.5 | 176.3 | -173.4 | -159.6 | 71.1 | 167.9 | 1 | 110.5 | L760 M761 D766 V767 T768 L793 | L760-R764 PolarHBondContact O-N 3.41Å; M761-R764 WeakPolarHBondContact O-CB 3.45Å; M761-R764 PolarHBondContact O-N 3.14Å; R764-D766 PolarHBondContact O-N 3.2Å; R764-V767 PolarHBondContact O-N 3.48Å; R764-V767 VanDerWaalsContact O-N 3.15Å; R764-T768 HydrophobicContact CG-CG2 4.38Å; R764-T768 WeakPolarHBondContact O-CG2 3.48Å; R764-T768 PolarHBondContact O-N 2.99Å; R764-L793 HydrophobicContact CB-CB 4.33Å; R764-L793 HydrophobicContact CB-CD1 4.41Å; R764-L793 HydrophobicContact CG-CB 4.06Å |
| 765 | D | 81.5 | Confident | 78.7 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | -174.8 | -65.3 | -13 | 0 | 0 | 0 | 111 | M761 Q762 I763 V767 T768 E769 | M761-D765 PolarHBondContact O-N 3.41Å; Q762-D765 PolarHBondContact O-N 3.07Å; I763-D765 VanDerWaalsContact C-N 3.32Å; I763-D765 PolarHBondContact O-N 3.46Å; D765-V767 PolarHBondContact O-N 3.15Å; D765-T768 PolarHBondContact O-N 3.1Å; D765-T768 PolarHBondContact O-OG1 3.26Å; D765-E769 PolarHBondContact O-N 3.14Å |
| 766 | D | 81.9 | Confident | 76.9 | Confident | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.9 | -44.7 | 170.7 | -76 | -22.6 | 0 | 0 | 0 | 112.9 | Q701 R705 Q762 I763 R764 T768 E769 M770 | Q701-D766 WeakPolarHBondContact CG-OD2 3.39Å; Q701-D766 PolarHBondContact NE2-OD2 3.04Å; R705-D766 IonicContact CZ-OD1 3.37Å; R705-D766 IonicContact CZ-OD2 3.31Å; R705-D766 VanDerWaalsContact CZ-OD2 3.31Å; R705-D766 VanDerWaalsContact NE-CG 3.35Å; R705-D766 IonicContact NE-OD1 3.23Å; R705-D766 PolarHBondContact NE-OD1 3.34Å; R705-D766 IonicContact NE-OD2 2.8Å; R705-D766 PolarHBondContact NE-OD2 3.01Å; R705-D766 VanDerWaalsContact NH2-CG 3.31Å; R705-D766 IonicContact NH2-OD1 2.7Å; R705-D766 PolarHBondContact NH2-OD1 3.3Å; R705-D766 IonicContact NH2-OD2 3.1Å; R705-D766 PolarHBondContact NH2-OD2 3.26Å; R705-D766 VanDerWaalsContact NH2-OD2 3.1Å; Q762-D766 PolarHBondContact O-N 3.12Å; I763-D766 PolarHBondContact O-N 3.21Å; R764-D766 PolarHBondContact O-N 3.2Å; D766-T768 VanDerWaalsContact C-N 3.35Å; D766-E769 WeakPolarHBondContact O-CB 3.36Å; D766-E769 PolarHBondContact O-N 3.13Å; D766-M770 PolarHBondContact O-N 3.1Å |
| 767 | V | 82.2 | Confident | 74.7 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.7 | -30.6 | 179 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | L704 I763 R764 D765 E769 M770 T771 I786 L789 | L704-V767 HydrophobicContact CD1-CG2 3.75Å; I763-V767 HydrophobicContact CG2-CG2 4.17Å; I763-V767 VanDerWaalsContact O-CG2 3.28Å; I763-V767 WeakPolarHBondContact O-CG2 3.37Å; I763-V767 PolarHBondContact O-N 3.36Å; R764-V767 PolarHBondContact O-N 3.48Å; R764-V767 VanDerWaalsContact O-N 3.15Å; D765-V767 PolarHBondContact O-N 3.15Å; V767-E769 VanDerWaalsContact C-N 3.33Å; V767-M770 WeakPolarHBondContact O-CB 3.41Å; V767-M770 PolarHBondContact O-N 3.37Å; V767-T771 PolarHBondContact O-N 3.21Å; V767-T771 PolarHBondContact O-OG1 3.48Å; V767-I786 HydrophobicContact CG1-CG2 4.36Å; V767-L789 HydrophobicContact CG1-CD2 4.29Å; V767-L789 HydrophobicContact CG1-CG 4.49Å; V767-L789 HydrophobicContact CG2-CD2 4.24Å |
| 768 | T | 81.5 | Confident | 72.3 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 27% | 0.27 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73.4 | -20.4 | 171.3 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | R764 D765 D766 T771 K772 | R764-T768 HydrophobicContact CG-CG2 4.38Å; R764-T768 WeakPolarHBondContact O-CG2 3.48Å; R764-T768 PolarHBondContact O-N 2.99Å; D765-T768 PolarHBondContact O-N 3.1Å; D765-T768 PolarHBondContact O-OG1 3.26Å; D766-T768 VanDerWaalsContact C-N 3.35Å; T768-T771 PolarHBondContact O-OG1 3.36Å; T768-K772 WeakPolarHBondContact O-CD 3.44Å; T768-K772 WeakPolarHBondContact O-CE 3.47Å; T768-K772 VanDerWaalsContact O-CG 3.27Å; T768-K772 WeakPolarHBondContact O-CG 3.28Å; T768-K772 PolarHBondContact O-NZ 3.04Å; T768-K772 VanDerWaalsContact O-NZ 3.15Å |
| 769 | E | 78.3 | Confident | 69.8 | Low | 106 Ų | 106 | 68 Ų | 68 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.1 | -42.8 | 164.5 | -164.2 | -169.8 | 132.9 | 0 | 0 | 109.7 | D765 D766 V767 T771 K772 L773 | D765-E769 PolarHBondContact O-N 3.14Å; D766-E769 WeakPolarHBondContact O-CB 3.36Å; D766-E769 PolarHBondContact O-N 3.13Å; V767-E769 VanDerWaalsContact C-N 3.33Å; E769-T771 PolarHBondContact O-N 3.31Å; E769-K772 PolarHBondContact O-N 3.41Å; E769-L773 PolarHBondContact O-N 3.11Å |
| 770 | M | 73.8 | Confident | 67.7 | Low | 24 Ų | 24 | 70.9 Ų | 70.9 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | -179.2 | -161.6 | 167.2 | -174.4 | 0 | 0 | 113.2 | C712 D766 V767 K772 L773 T774 | C712-M770 HydrophobicContact CB-CE 4.06Å; D766-M770 PolarHBondContact O-N 3.1Å; V767-M770 WeakPolarHBondContact O-CB 3.41Å; V767-M770 PolarHBondContact O-N 3.37Å; M770-K772 PolarHBondContact O-N 3.36Å; M770-L773 WeakPolarHBondContact O-CB 3.33Å; M770-L773 PolarHBondContact O-N 3.21Å; M770-L773 VanDerWaalsContact O-N 3.17Å; M770-T774 PolarHBondContact O-N 3.47Å; M770-T774 PolarHBondContact O-OG1 3.07Å |
| 771 | T | 71.8 | Confident | 66 | Low | 20 Ų | 20 | 73.7 Ų | 73.7 | 12% | 0.123 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 176.3 | 45.1 | 0 | 0 | 0 | 0 | 113.8 | V767 T768 E769 L773 T774 N775 I786 M787 C790 | V767-T771 PolarHBondContact O-N 3.21Å; V767-T771 PolarHBondContact O-OG1 3.48Å; T768-T771 PolarHBondContact O-OG1 3.36Å; E769-T771 PolarHBondContact O-N 3.31Å; T771-L773 PolarHBondContact O-N 3.14Å; T771-T774 WeakPolarHBondContact CA-OG1 3.2Å; T771-T774 PolarHBondContact O-N 3.29Å; T771-T774 PolarHBondContact O-OG1 3.09Å; T771-N775 PolarHBondContact O-N 3.33Å; T771-I786 HydrophobicContact CG2-CG2 3.49Å; T771-I786 VanDerWaalsContact CG2-CG2 3.49Å; T771-M787 HydrophobicContact CG2-SD 4.22Å; T771-C790 VanDerWaalsContact CG2-SG 3.54Å |
| 772 | K | 71 | Confident | 64.5 | Low | 149 Ų | 149 | 72 Ų | 72 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.3 | -29.6 | 174.8 | -66.5 | 162.3 | -167 | 145.3 | 0 | 111.7 | T768 E769 M770 | T768-K772 WeakPolarHBondContact O-CD 3.44Å; T768-K772 WeakPolarHBondContact O-CE 3.47Å; T768-K772 VanDerWaalsContact O-CG 3.27Å; T768-K772 WeakPolarHBondContact O-CG 3.28Å; T768-K772 PolarHBondContact O-NZ 3.04Å; T768-K772 VanDerWaalsContact O-NZ 3.15Å; E769-K772 PolarHBondContact O-N 3.41Å; M770-K772 PolarHBondContact O-N 3.36Å |
| 773 | L | 64.4 | Low | 63.3 | Low | 86 Ų | 86 | 70 Ų | 70 | 45% | 0.45 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -81.2 | -41.3 | 176 | -63.7 | 170 | 0 | 0 | 0 | 112.2 | E769 M770 T771 N775 A776 | E769-L773 PolarHBondContact O-N 3.11Å; M770-L773 WeakPolarHBondContact O-CB 3.33Å; M770-L773 PolarHBondContact O-N 3.21Å; M770-L773 VanDerWaalsContact O-N 3.17Å; T771-L773 PolarHBondContact O-N 3.14Å; L773-N775 VanDerWaalsContact C-N 3.33Å; L773-N775 PolarHBondContact O-N 3.37Å; L773-A776 PolarHBondContact O-N 2.96Å |
| 774 | T | 58.4 | Low | 62.7 | Low | 43 Ų | 43 | 73.6 Ų | 73.6 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.7 | -20.5 | -176.2 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | M770 T771 A776 D777 I786 | M770-T774 PolarHBondContact O-N 3.47Å; M770-T774 PolarHBondContact O-OG1 3.07Å; T771-T774 WeakPolarHBondContact CA-OG1 3.2Å; T771-T774 PolarHBondContact O-N 3.29Å; T771-T774 PolarHBondContact O-OG1 3.09Å; T774-A776 PolarHBondContact O-N 3.41Å; T774-A776 VanDerWaalsContact O-N 3.07Å; T774-D777 PolarHBondContact O-N 2.96Å; T774-I786 HydrophobicContact CG2-CD1 4.31Å |
| 775 | N | 52.4 | Low | 62.3 | Low | 114 Ų | 114 | 73.1 Ų | 73.1 | 61% | 0.61 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -4.6 | 175.9 | -76.8 | -8.5 | 0 | 0 | 0 | 114.3 | T771 L773 | T771-N775 PolarHBondContact O-N 3.33Å; L773-N775 VanDerWaalsContact C-N 3.33Å; L773-N775 PolarHBondContact O-N 3.37Å |
| 776 | A | 47.7 | Very low | 62.2 | Low | 80 Ų | 80 | 69.6 Ų | 69.6 | 66% | 0.661 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -31.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L773 T774 | L773-A776 PolarHBondContact O-N 2.96Å; T774-A776 PolarHBondContact O-N 3.41Å; T774-A776 VanDerWaalsContact O-N 3.07Å |
| 777 | D | 41 | Very low | 62.1 | Low | 135 Ų | 135 | 73.3 Ų | 73.3 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | trans | -117.4 | 80.5 | -169.9 | -74.2 | -40.8 | 0 | 0 | 0 | 111.2 | T774 T779 | T774-D777 PolarHBondContact O-N 2.96Å; D777-T779 VanDerWaalsContact C-N 3.3Å; D777-T779 PolarHBondContact O-N 3.44Å | ||
| 778 | V | 34.6 | Very low | 62.1 | Low | 132 Ų | 132 | 76 Ų | 76 | 80% | 0.8 | 45% | 0.45 | S | S | * | . | trans | -82.5 | 63 | -172.8 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 779 | T | 33.4 | Very low | 62.3 | Low | 129 Ų | 129 | 73.9 Ų | 73.9 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | trans | -147.8 | 62.5 | 174.7 | 44.6 | 0 | 0 | 0 | 0 | 114.6 | D777 | D777-T779 VanDerWaalsContact C-N 3.3Å; D777-T779 PolarHBondContact O-N 3.44Å | ||
| 780 | S | 42.6 | Very low | 62.6 | Low | 79 Ų | 79 | 70.1 Ų | 70.1 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -176.8 | 163 | 149.2 | 45.9 | 0 | 0 | 0 | 0 | 113.3 | S782 | S780-S782 PolarHBondContact O-N 3.19Å; S780-S782 VanDerWaalsContact O-N 3.14Å; S780-S782 PolarHBondContact OG-OG 2.96Å; S780-S782 VanDerWaalsContact OG-OG 3.09Å |
| 781 | G | 49.8 | Very low | 63.1 | Low | 61 Ų | 61 | 72.2 Ų | 72.2 | 63% | 0.629 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | S783 S784 | G781-S783 PolarHBondContact O-N 3.27Å; G781-S784 PolarHBondContact O-N 3.37Å; G781-S784 PolarHBondContact O-OG 3.19Å; G781-S784 VanDerWaalsContact O-OG 3.06Å |
| 782 | S | 52 | Low | 63.8 | Low | 25 Ų | 25 | 73.8 Ų | 73.8 | 18% | 0.175 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.1 | -27.9 | 174.4 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | S780 S784 E785 I786 | S780-S782 PolarHBondContact O-N 3.19Å; S780-S782 VanDerWaalsContact O-N 3.14Å; S780-S782 PolarHBondContact OG-OG 2.96Å; S780-S782 VanDerWaalsContact OG-OG 3.09Å; S782-S784 VanDerWaalsContact C-N 3.31Å; S782-S784 PolarHBondContact O-N 3.44Å; S782-E785 PolarHBondContact O-N 2.86Å; S782-I786 WeakPolarHBondContact O-CG1 3.47Å; S782-I786 PolarHBondContact O-N 3.44Å; S782-I786 VanDerWaalsContact O-N 3.17Å |
| 783 | S | 61.1 | Low | 64.4 | Low | 56 Ų | 56 | 66.7 Ų | 66.7 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | G781 I786 M787 | G781-S783 PolarHBondContact O-N 3.27Å; S783-I786 PolarHBondContact O-N 3.36Å; S783-M787 WeakPolarHBondContact O-CB 3.46Å; S783-M787 VanDerWaalsContact O-CG 3.25Å; S783-M787 WeakPolarHBondContact O-CG 3.26Å; S783-M787 PolarHBondContact O-N 3.15Å |
| 784 | S | 72 | Confident | 65.3 | Low | 75 Ų | 75 | 63.5 Ų | 63.5 | 52% | 0.524 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | -178.4 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | G781 S782 T788 | G781-S784 PolarHBondContact O-N 3.37Å; G781-S784 PolarHBondContact O-OG 3.19Å; G781-S784 VanDerWaalsContact O-OG 3.06Å; S782-S784 VanDerWaalsContact C-N 3.31Å; S782-S784 PolarHBondContact O-N 3.44Å; S784-T788 WeakPolarHBondContact O-CB 2.99Å; S784-T788 PolarHBondContact O-N 3.34Å; S784-T788 PolarHBondContact O-OG1 2.82Å |
| 785 | E | 76.4 | Confident | 66.5 | Low | 67 Ų | 67 | 64.9 Ų | 64.9 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 177 | -62.4 | -169.5 | 131.1 | 0 | 0 | 111.6 | I716 L720 S782 T788 L789 | I716-E785 HydrophobicContact CG2-CB 3.95Å; L720-E785 HydrophobicContact CD1-CB 4.16Å; S782-E785 PolarHBondContact O-N 2.86Å; E785-T788 PolarHBondContact O-N 3.03Å; E785-L789 WeakPolarHBondContact O-CB 3.19Å; E785-L789 PolarHBondContact O-N 3.1Å |
| 786 | I | 79.2 | Confident | 68 | Low | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.036 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 177.7 | -63.7 | 167.1 | 0 | 0 | 0 | 110.7 | I716 V767 T771 T774 S782 S783 T788 L789 C790 | I716-I786 HydrophobicContact CD1-CD1 4.07Å; I716-I786 HydrophobicContact CD1-CG1 3.59Å; I716-I786 HydrophobicContact CG1-CG1 4.44Å; V767-I786 HydrophobicContact CG1-CG2 4.36Å; T771-I786 HydrophobicContact CG2-CG2 3.49Å; T771-I786 VanDerWaalsContact CG2-CG2 3.49Å; T774-I786 HydrophobicContact CG2-CD1 4.31Å; S782-I786 WeakPolarHBondContact O-CG1 3.47Å; S782-I786 PolarHBondContact O-N 3.44Å; S782-I786 VanDerWaalsContact O-N 3.17Å; S783-I786 PolarHBondContact O-N 3.36Å; I786-T788 VanDerWaalsContact C-N 3.32Å; I786-T788 PolarHBondContact O-N 3.05Å; I786-L789 WeakPolarHBondContact O-CB 3.5Å; I786-L789 PolarHBondContact O-N 2.8Å; I786-C790 PolarHBondContact O-N 2.7Å |
| 787 | M | 79.6 | Confident | 69.6 | Low | 103 Ų | 103 | 56.7 Ų | 56.7 | 51% | 0.507 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.8 | -70.3 | -64.5 | -72.2 | 0 | 0 | 111.9 | T771 S783 C790 A791 | T771-M787 HydrophobicContact CG2-SD 4.22Å; S783-M787 WeakPolarHBondContact O-CB 3.46Å; S783-M787 VanDerWaalsContact O-CG 3.25Å; S783-M787 WeakPolarHBondContact O-CG 3.26Å; S783-M787 PolarHBondContact O-N 3.15Å; M787-C790 PolarHBondContact O-N 3.44Å; M787-A791 PolarHBondContact O-N 2.89Å |
| 788 | T | 83.4 | Confident | 71.5 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 37% | 0.368 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 172.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | L720 S784 E785 I786 A791 M792 | L720-T788 HydrophobicContact CD2-CG2 4.02Å; S784-T788 WeakPolarHBondContact O-CB 2.99Å; S784-T788 PolarHBondContact O-N 3.34Å; S784-T788 PolarHBondContact O-OG1 2.82Å; E785-T788 PolarHBondContact O-N 3.03Å; I786-T788 VanDerWaalsContact C-N 3.32Å; I786-T788 PolarHBondContact O-N 3.05Å; T788-A791 PolarHBondContact O-N 3.23Å; T788-M792 HydrophobicContact CG2-SD 4.39Å; T788-M792 WeakPolarHBondContact O-CG 3.49Å; T788-M792 PolarHBondContact O-N 3.49Å |
| 789 | L | 85.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.7 | 177.3 | 60 | 0 | 0 | 0 | 111.7 | I716 L719 L720 L723 V767 E785 I786 A791 M792 L793 | I716-L789 HydrophobicContact CB-CD2 4.37Å; I716-L789 HydrophobicContact CG1-CD2 4.13Å; I716-L789 HydrophobicContact CG2-CD2 4.14Å; L719-L789 HydrophobicContact CB-CD1 3.71Å; L719-L789 HydrophobicContact CB-CD2 4.27Å; L719-L789 HydrophobicContact CD1-CD1 4.42Å; L719-L789 HydrophobicContact CD1-CD2 3.96Å; L720-L789 HydrophobicContact CD2-CB 3.97Å; L720-L789 HydrophobicContact CD2-CD1 4.29Å; L720-L789 HydrophobicContact CG-CB 4.37Å; L720-L789 HydrophobicContact CG-CD1 4.49Å; L723-L789 HydrophobicContact CD1-CD1 3.48Å; L723-L789 VanDerWaalsContact CD1-CD1 3.48Å; V767-L789 HydrophobicContact CG1-CD2 4.29Å; V767-L789 HydrophobicContact CG1-CG 4.49Å; V767-L789 HydrophobicContact CG2-CD2 4.24Å; E785-L789 WeakPolarHBondContact O-CB 3.19Å; E785-L789 PolarHBondContact O-N 3.1Å; I786-L789 WeakPolarHBondContact O-CB 3.5Å; I786-L789 PolarHBondContact O-N 2.8Å; L789-A791 PolarHBondContact O-N 3.44Å; L789-M792 PolarHBondContact O-N 3.16Å; L789-L793 HydrophobicContact CD1-CD1 3.83Å; L789-L793 HydrophobicContact CD1-CG 4.05Å; L789-L793 HydrophobicContact CG-CD1 3.94Å; L789-L793 WeakPolarHBondContact O-CB 3.38Å; L789-L793 WeakPolarHBondContact O-CG 3.38Å; L789-L793 PolarHBondContact O-N 3.23Å |
| 790 | C | 84.2 | Confident | 75.7 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 173.1 | -90.4 | 0 | 0 | 0 | 0 | 112.5 | T771 I786 M787 L793 G794 | T771-C790 VanDerWaalsContact CG2-SG 3.54Å; I786-C790 PolarHBondContact O-N 2.7Å; M787-C790 PolarHBondContact O-N 3.44Å; C790-L793 PolarHBondContact O-N 3.23Å; C790-G794 PolarHBondContact O-N 3.05Å |
| 791 | A | 84.4 | Confident | 77 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 56% | 0.562 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M787 T788 L789 S795 | M787-A791 PolarHBondContact O-N 2.89Å; T788-A791 PolarHBondContact O-N 3.23Å; L789-A791 PolarHBondContact O-N 3.44Å; A791-S795 WeakPolarHBondContact O-CB 3.42Å; A791-S795 PolarHBondContact O-N 2.82Å |
| 792 | M | 85.7 | Confident | 77.6 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 176.6 | -69.2 | -170.6 | 76.7 | 0 | 0 | 112.5 | L720 L723 R724 T788 L789 L796 | L720-M792 HydrophobicContact CD2-SD 3.96Å; L723-M792 HydrophobicContact CB-CE 3.8Å; L723-M792 HydrophobicContact CB-SD 4.5Å; L723-M792 HydrophobicContact CD1-CB 4.12Å; R724-M792 HydrophobicContact CG-CE 3.84Å; R724-M792 HydrophobicContact CG-SD 4.39Å; T788-M792 HydrophobicContact CG2-SD 4.39Å; T788-M792 WeakPolarHBondContact O-CG 3.49Å; T788-M792 PolarHBondContact O-N 3.49Å; L789-M792 PolarHBondContact O-N 3.16Å; M792-L796 WeakPolarHBondContact O-CB 3.47Å; M792-L796 PolarHBondContact O-N 3.25Å; M792-L796 VanDerWaalsContact O-N 3.09Å |
| 793 | L | 85.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69 | -41.3 | 176.1 | -73.2 | 170.6 | 0 | 0 | 0 | 112 | L723 L760 I763 R764 L789 C790 L796 V797 | L723-L793 HydrophobicContact CD1-CD2 3.78Å; L723-L793 HydrophobicContact CD1-CG 3.89Å; L723-L793 HydrophobicContact CD2-CD2 4.04Å; L760-L793 HydrophobicContact CB-CD2 4.43Å; L760-L793 HydrophobicContact CD2-CD2 4.02Å; I763-L793 HydrophobicContact CG2-CD1 4.33Å; R764-L793 HydrophobicContact CB-CB 4.33Å; R764-L793 HydrophobicContact CB-CD1 4.41Å; R764-L793 HydrophobicContact CG-CB 4.06Å; L789-L793 HydrophobicContact CD1-CD1 3.83Å; L789-L793 HydrophobicContact CD1-CG 4.05Å; L789-L793 HydrophobicContact CG-CD1 3.94Å; L789-L793 WeakPolarHBondContact O-CB 3.38Å; L789-L793 WeakPolarHBondContact O-CG 3.38Å; L789-L793 PolarHBondContact O-N 3.23Å; C790-L793 PolarHBondContact O-N 3.23Å; L793-L796 PolarHBondContact O-N 3.27Å; L793-V797 WeakPolarHBondContact O-CG2 3.1Å; L793-V797 PolarHBondContact O-N 3.4Å |
| 794 | G | 82.7 | Confident | 76.5 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 19% | 0.186 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -56.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C790 L796 V797 D798 | C790-G794 PolarHBondContact O-N 3.05Å; G794-L796 VanDerWaalsContact C-N 3.27Å; G794-L796 PolarHBondContact O-N 3.46Å; G794-V797 PolarHBondContact O-N 3.15Å; G794-D798 VanDerWaalsContact O-CG 3.24Å; G794-D798 PolarHBondContact O-N 3.26Å |
| 795 | S | 84.4 | Confident | 74.8 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 51% | 0.51 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.4 | -38.6 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 113.3 | A791 S799 | A791-S795 WeakPolarHBondContact O-CB 3.42Å; A791-S795 PolarHBondContact O-N 2.82Å; S795-S799 WeakPolarHBondContact O-CB 3.15Å; S795-S799 PolarHBondContact O-N 3.36Å; S795-S799 PolarHBondContact O-OG 3.33Å |
| 796 | L | 83.3 | Confident | 72.9 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 173.9 | 178.1 | 61.1 | 0 | 0 | 0 | 112 | L723 F730 I731 L760 M792 L793 G794 S799 I800 | L723-L796 HydrophobicContact CD2-CD2 3.63Å; F730-L796 HydrophobicContact CB-CD1 4.22Å; F730-L796 HydrophobicContact CD2-CD2 4.43Å; I731-L796 HydrophobicContact CD1-CD1 3.99Å; I731-L796 HydrophobicContact CG1-CD1 3.58Å; L760-L796 HydrophobicContact CD1-CD2 3.93Å; M792-L796 WeakPolarHBondContact O-CB 3.47Å; M792-L796 PolarHBondContact O-N 3.25Å; M792-L796 VanDerWaalsContact O-N 3.09Å; L793-L796 PolarHBondContact O-N 3.27Å; G794-L796 VanDerWaalsContact C-N 3.27Å; G794-L796 PolarHBondContact O-N 3.46Å; L796-S799 PolarHBondContact O-N 3.02Å; L796-I800 HydrophobicContact CD1-CD1 3.88Å; L796-I800 HydrophobicContact CD1-CG1 4.4Å; L796-I800 HydrophobicContact CG-CD1 3.98Å; L796-I800 WeakPolarHBondContact O-CD1 3.47Å; L796-I800 VanDerWaalsContact O-CG1 3.27Å; L796-I800 WeakPolarHBondContact O-CG1 3.47Å; L796-I800 PolarHBondContact O-N 3.17Å; L796-I800 VanDerWaalsContact O-N 3.1Å |
| 797 | V | 81 | Confident | 70.4 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 10% | 0.097 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | M761 L793 G794 S799 I800 A801 | M761-V797 HydrophobicContact CE-CB 4.21Å; M761-V797 HydrophobicContact CE-CG1 3.97Å; M761-V797 HydrophobicContact CE-CG2 3.79Å; M761-V797 HydrophobicContact SD-CB 4.19Å; M761-V797 HydrophobicContact SD-CG1 3.77Å; M761-V797 HydrophobicContact SD-CG2 3.45Å; M761-V797 WeakPolarHBondContact SD-CG2 3.41Å; L793-V797 WeakPolarHBondContact O-CG2 3.1Å; L793-V797 PolarHBondContact O-N 3.4Å; G794-V797 PolarHBondContact O-N 3.15Å; V797-S799 VanDerWaalsContact C-N 3.3Å; V797-S799 PolarHBondContact O-N 3.45Å; V797-I800 PolarHBondContact O-N 3.35Å; V797-I800 VanDerWaalsContact O-N 3.15Å; V797-A801 VanDerWaalsContact O-CB 3.3Å; V797-A801 WeakPolarHBondContact O-CB 3.49Å; V797-A801 PolarHBondContact O-N 3.07Å |
| 798 | D | 81.6 | Confident | 69.9 | Low | 106 Ų | 106 | 67.5 Ų | 67.5 | 57% | 0.567 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.2 | -38.5 | 178.9 | -57.9 | -27.1 | 0 | 0 | 0 | 111 | G794 I800 A801 S802 | G794-D798 VanDerWaalsContact O-CG 3.24Å; G794-D798 PolarHBondContact O-N 3.26Å; D798-I800 VanDerWaalsContact C-N 3.32Å; D798-I800 PolarHBondContact O-N 3.28Å; D798-A801 PolarHBondContact O-N 2.84Å; D798-S802 WeakPolarHBondContact O-CB 3.27Å; D798-S802 PolarHBondContact O-N 2.96Å |
| 799 | S | 80.3 | Confident | 69.2 | Low | 36 Ų | 36 | 67.9 Ų | 67.9 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 175.7 | -64 | 0 | 0 | 0 | 0 | 113.7 | K735 S795 L796 V797 S802 | K735-S799 WeakPolarHBondContact CE-O 3.48Å; K735-S799 PolarHBondContact NZ-O 3.24Å; S795-S799 WeakPolarHBondContact O-CB 3.15Å; S795-S799 PolarHBondContact O-N 3.36Å; S795-S799 PolarHBondContact O-OG 3.33Å; L796-S799 PolarHBondContact O-N 3.02Å; V797-S799 VanDerWaalsContact C-N 3.3Å; V797-S799 PolarHBondContact O-N 3.45Å; S799-S802 PolarHBondContact O-OG 3.14Å |
| 800 | I | 75.2 | Confident | 68.3 | Low | 32 Ų | 32 | 71.7 Ų | 71.7 | 16% | 0.164 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -81 | -42.9 | 174.3 | -66.2 | 164.9 | 0 | 0 | 0 | 110.4 | C757 M761 L796 V797 D798 S802 | C757-I800 HydrophobicContact CB-CD1 4.4Å; M761-I800 HydrophobicContact CE-CB 4.35Å; M761-I800 HydrophobicContact CE-CD1 4.16Å; M761-I800 HydrophobicContact CE-CG2 4.17Å; L796-I800 HydrophobicContact CD1-CD1 3.88Å; L796-I800 HydrophobicContact CD1-CG1 4.4Å; L796-I800 HydrophobicContact CG-CD1 3.98Å; L796-I800 WeakPolarHBondContact O-CD1 3.47Å; L796-I800 VanDerWaalsContact O-CG1 3.27Å; L796-I800 WeakPolarHBondContact O-CG1 3.47Å; L796-I800 PolarHBondContact O-N 3.17Å; L796-I800 VanDerWaalsContact O-N 3.1Å; V797-I800 PolarHBondContact O-N 3.35Å; V797-I800 VanDerWaalsContact O-N 3.15Å; D798-I800 VanDerWaalsContact C-N 3.32Å; D798-I800 PolarHBondContact O-N 3.28Å; I800-S802 PolarHBondContact O-N 2.86Å |
| 801 | A | 69.3 | Low | 67.4 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 60% | 0.603 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70 | -16.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V797 D798 H803 | V797-A801 VanDerWaalsContact O-CB 3.3Å; V797-A801 WeakPolarHBondContact O-CB 3.49Å; V797-A801 PolarHBondContact O-N 3.07Å; D798-A801 PolarHBondContact O-N 2.84Å; A801-H803 PolarHBondContact O-N 3.21Å |
| 802 | S | 62.5 | Low | 66.3 | Low | 74 Ų | 74 | 74.6 Ų | 74.6 | 52% | 0.517 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 7.6 | 173.7 | 66.5 | 0 | 0 | 0 | 0 | 115.7 | K735 D798 S799 I800 | K735-S802 PolarHBondContact NZ-OG 3.07Å; D798-S802 WeakPolarHBondContact O-CB 3.27Å; D798-S802 PolarHBondContact O-N 2.96Å; S799-S802 PolarHBondContact O-OG 3.14Å; I800-S802 PolarHBondContact O-N 2.86Å |
| 803 | H | 47.8 | Very low | 65.1 | Low | 83 Ų | 83 | 76.1 Ų | 76.1 | 38% | 0.384 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 122.7 | 170 | -127 | -62.1 | 0 | 0 | 0 | 110 | A801 Q805 | A801-H803 PolarHBondContact O-N 3.21Å; H803-Q805 PolarHBondContact O-N 3.07Å |
| 804 | P | 42.4 | Very low | 63.6 | Low | 111 Ų | 111 | 81.5 Ų | 81.5 | 72% | 0.721 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 126.7 | 162 | 28.5 | -31.8 | 0 | 0 | 0 | 107.9 | ||
| 805 | Q | 37.5 | Very low | 62.1 | Low | 170 Ų | 170 | 86.4 Ų | 86.4 | 79% | 0.794 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 134 | 160.2 | -72.3 | -162.6 | -103.4 | 0 | 0 | 108.8 | H803 | H803-Q805 PolarHBondContact O-N 3.07Š|
| 806 | D | 34.9 | Very low | 60.3 | Low | 148 Ų | 148 | 87.5 Ų | 87.5 | 79% | 0.791 | 52% | 0.524 | S | S | * | . | trans | 57.2 | 85.4 | 154.5 | -48.4 | -23.5 | 0 | 0 | 0 | 116.9 | ||||
| 807 | S | 27.8 | Very low | 58.2 | Low | 195 Ų | 195 | 94.9 Ų | 94.9 | 100% | 1.364 | 57% | 0.569 | S | S | * | * | trans | -100.5 | 0 | 144.9 | 64.8 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 807 of 807 residues in 165.2 ms
(Link to these results)