| 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 | 34.3 | Very low | 40.6 | Very low | 193 Ų | 193 | 104.5 Ų | 104.5 | 95% | 0.951 | 54% | 0.535 | S | S | * | . | 0 | 112.5 | 0 | -117.4 | 174.6 | 154.1 | 0 | 0 | 106.3 | E26 | M1-E26 WeakPolarHBondContact CB-OE1 3.22Å; M1-E26 HydrophobicContact CE-CB 3.75Å; M1-E26 HydrophobicContact CE-CG 4.06Å; M1-E26 WeakPolarHBondContact CE-OE2 3.34Å; M1-E26 HydrophobicContact CG-CG 4.43Å; M1-E26 WeakPolarHBondContact CG-OE1 3.41Å; M1-E26 VanDerWaalsContact SD-CD 3.51Å | |||
| 2 | L | 31.2 | Very low | 40.6 | Very low | 139 Ų | 139 | 115.3 Ų | 115.3 | 73% | 0.728 | 56% | 0.564 | S | S | * | * | trans | -109.5 | 105.6 | -171.7 | -85.2 | 161.3 | 0 | 0 | 0 | 107.7 | F4 | L2-F4 HydrophobicContact CB-CD2 4.47Å; L2-F4 HydrophobicContact CB-CE2 3.71Å; L2-F4 HydrophobicContact CB-CZ 4.1Å; L2-F4 HydrophobicContact CD1-CZ 4.36Å; L2-F4 HydrophobicContact CD2-CZ 4.31Å | ||
| 3 | T | 36.9 | Very low | 40.8 | Very low | 80 Ų | 80 | 110.5 Ų | 110.5 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | trans | -87 | 129.5 | 172.3 | 2.4 | 0 | 0 | 0 | 0 | 109.1 | E26 | T3-E26 HydrophobicContact CG2-CG 4.25Š| ||
| 4 | F | 40.7 | Very low | 41.1 | Very low | 143 Ų | 143 | 104.8 Ų | 104.8 | 63% | 0.627 | 51% | 0.514 | S | S | * | . | trans | -115.1 | 100.9 | 176.7 | -67.6 | -82.7 | 0 | 0 | 0 | 109.5 | L2 F6 | L2-F4 HydrophobicContact CB-CD2 4.47Å; L2-F4 HydrophobicContact CB-CE2 3.71Å; L2-F4 HydrophobicContact CB-CZ 4.1Å; L2-F4 HydrophobicContact CD1-CZ 4.36Å; L2-F4 HydrophobicContact CD2-CZ 4.31Å; F4-F6 PolarHBondContact O-N 2.94Å | ||
| 5 | P | 43.3 | Very low | 41.2 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 72% | 0.721 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.2 | 171.1 | 28.8 | -31.5 | 0 | 0 | 0 | 108.9 | ||
| 6 | F | 48.9 | Very low | 41.7 | Very low | 50 Ų | 50 | 115.3 Ų | 115.3 | 22% | 0.219 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.3 | 168.7 | 58.9 | -92.7 | 0 | 0 | 0 | 110.3 | F4 F8 V22 L24 L74 | F4-F6 PolarHBondContact O-N 2.94Å; F6-F8 AromaticContact CD2-CD1 4Å; F6-F8 HydrophobicContact CD2-CD1 4Å; F6-F8 HydrophobicContact CD2-CE1 4.22Å; F6-F8 HydrophobicContact CE2-CD1 4.2Å; F6-F8 AromaticContact CE2-CE1 3.96Å; F6-F8 HydrophobicContact CE2-CE1 3.96Å; F6-V22 HydrophobicContact CD2-CB 4.32Å; F6-V22 HydrophobicContact CE2-CB 3.71Å; F6-V22 HydrophobicContact CE2-CG1 3.74Å; F6-V22 HydrophobicContact CZ-CB 4.23Å; F6-V22 HydrophobicContact CZ-CG1 3.77Å; F6-V22 PolarHBondContact O-N 2.7Å; F6-L24 HydrophobicContact CE1-CB 3.96Å; F6-L24 HydrophobicContact CE1-CD1 3.71Å; F6-L24 HydrophobicContact CE1-CG 4.38Å; F6-L24 HydrophobicContact CZ-CD1 3.62Å; F6-L74 HydrophobicContact CD2-CD1 4.3Å; F6-L74 HydrophobicContact CD2-CD2 4.31Å; F6-L74 HydrophobicContact CE2-CD1 3.67Å; F6-L74 HydrophobicContact CE2-CD2 4.48Å; F6-L74 HydrophobicContact CZ-CD1 4.16Å |
| 7 | S | 39.1 | Very low | 41.9 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 58% | 0.58 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115 | 135.7 | 175.2 | -65.1 | 0 | 0 | 0 | 0 | 108.1 | N21 | S7-N21 WeakPolarHBondContact CB-OD1 3.19Å; S7-N21 PolarHBondContact OG-OD1 3.03Å |
| 8 | F | 47.9 | Very low | 42.1 | Very low | 25 Ų | 25 | 106.4 Ų | 106.4 | 11% | 0.11 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.6 | 172.7 | 59.5 | -87.6 | 0 | 0 | 0 | 111 | F6 L10 L20 V22 I60 L72 L74 | F6-F8 AromaticContact CD2-CD1 4Å; F6-F8 HydrophobicContact CD2-CD1 4Å; F6-F8 HydrophobicContact CD2-CE1 4.22Å; F6-F8 HydrophobicContact CE2-CD1 4.2Å; F6-F8 AromaticContact CE2-CE1 3.96Å; F6-F8 HydrophobicContact CE2-CE1 3.96Å; F8-L10 HydrophobicContact CD2-CD1 4.38Å; F8-L10 HydrophobicContact CD2-CD2 4.06Å; F8-L10 HydrophobicContact CD2-CG 3.77Å; F8-L10 HydrophobicContact CE2-CD1 3.7Å; F8-L10 HydrophobicContact CE2-CD2 3.89Å; F8-L10 HydrophobicContact CE2-CG 3.57Å; F8-L20 HydrophobicContact CD2-CB 4.44Å; F8-L20 HydrophobicContact CE2-CB 4.12Å; F8-L20 HydrophobicContact CE2-CD2 3.7Å; F8-L20 HydrophobicContact CE2-CG 4.33Å; F8-L20 HydrophobicContact CZ-CB 4.35Å; F8-L20 HydrophobicContact CZ-CD2 3.54Å; F8-L20 HydrophobicContact CZ-CG 4.15Å; F8-L20 PolarHBondContact N-O 2.84Å; F8-L20 CarbonylContact O-C 3.54Å; F8-L20 PolarHBondContact O-N 2.94Å; F8-V22 HydrophobicContact CD1-CG2 4.34Å; F8-V22 HydrophobicContact CE1-CB 3.74Å; F8-V22 HydrophobicContact CE1-CG2 3.26Å; F8-V22 HydrophobicContact CZ-CB 4.46Å; F8-V22 HydrophobicContact CZ-CG2 3.52Å; F8-I60 HydrophobicContact CE1-CD1 3.6Å; F8-I60 HydrophobicContact CE2-CD1 4.15Å; F8-I60 HydrophobicContact CZ-CD1 3.27Å; F8-L72 HydrophobicContact CD1-CD2 4.47Å; F8-L72 HydrophobicContact CD2-CD2 3.61Å; F8-L72 HydrophobicContact CE2-CD2 3.78Å; F8-L72 HydrophobicContact CG-CD2 3.98Å; F8-L72 HydrophobicContact CZ-CD2 4.31Å; F8-L74 HydrophobicContact CD1-CD2 4.41Å |
| 9 | T | 39.3 | Very low | 42.2 | Very low | 73 Ų | 73 | 104.1 Ų | 104.1 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | trans | -93.4 | 107.3 | 179 | -50.3 | 0 | 0 | 0 | 0 | 109.1 | R11 | T9-R11 VanDerWaalsContact C-N 3.32Å; T9-R11 HydrophobicContact CG2-CG 3.96Å; T9-R11 PolarHBondContact O-N 2.9Å | ||
| 10 | L | 44.7 | Very low | 42.5 | Very low | 36 Ų | 36 | 99.4 Ų | 99.4 | 19% | 0.188 | 51% | 0.506 | C | S | . | . | trans | -78.1 | 82.1 | 171.1 | -74.4 | 167.7 | 0 | 0 | 0 | 110.1 | F8 R12 L13 L20 | F8-L10 HydrophobicContact CD2-CD1 4.38Å; F8-L10 HydrophobicContact CD2-CD2 4.06Å; F8-L10 HydrophobicContact CD2-CG 3.77Å; F8-L10 HydrophobicContact CE2-CD1 3.7Å; F8-L10 HydrophobicContact CE2-CD2 3.89Å; F8-L10 HydrophobicContact CE2-CG 3.57Å; L10-R12 PolarHBondContact O-N 3.46Å; L10-R12 VanDerWaalsContact O-N 3.08Å; L10-L13 HydrophobicContact CB-CB 4.26Å; L10-L13 HydrophobicContact CB-CD1 4.2Å; L10-L13 HydrophobicContact CD1-CD1 3.65Å; L10-L13 HydrophobicContact CD2-CD1 3.81Å; L10-L13 HydrophobicContact CG-CD1 4.07Å; L10-L13 PolarHBondContact O-N 3.01Å; L10-L20 HydrophobicContact CD1-CB 4.12Å; L10-L20 HydrophobicContact CD1-CD2 3.54Å; L10-L20 HydrophobicContact CD1-CG 4.43Å | ||
| 11 | R | 39.9 | Very low | 42.6 | Very low | 217 Ų | 217 | 97.8 Ų | 97.8 | 82% | 0.819 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.9 | 179.9 | -69.1 | -171.6 | -178.1 | -153.4 | 0.8 | 114.3 | T9 | T9-R11 VanDerWaalsContact C-N 3.32Å; T9-R11 HydrophobicContact CG2-CG 3.96Å; T9-R11 PolarHBondContact O-N 2.9Å |
| 12 | R | 40.5 | Very low | 43.3 | Very low | 234 Ų | 234 | 88.8 Ų | 88.8 | 88% | 0.883 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -16.9 | -174.7 | -120 | 178.9 | -179.6 | 178.7 | -0.5 | 115.5 | L10 | L10-R12 PolarHBondContact O-N 3.46Å; L10-R12 VanDerWaalsContact O-N 3.08Å |
| 13 | L | 43.8 | Very low | 44 | Very low | 53 Ų | 53 | 85 Ų | 85 | 28% | 0.277 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -24.5 | -177.9 | -77 | 148.9 | 0 | 0 | 0 | 113.2 | L10 F42 L62 | L10-L13 HydrophobicContact CB-CB 4.26Å; L10-L13 HydrophobicContact CB-CD1 4.2Å; L10-L13 HydrophobicContact CD1-CD1 3.65Å; L10-L13 HydrophobicContact CD2-CD1 3.81Å; L10-L13 HydrophobicContact CG-CD1 4.07Å; L10-L13 PolarHBondContact O-N 3.01Å; L13-F42 HydrophobicContact CD2-CD2 4.32Å; L13-F42 HydrophobicContact CD2-CE2 3.53Å; L13-F42 HydrophobicContact CD2-CZ 3.86Å; L13-L62 HydrophobicContact CD1-CD1 3.21Å; L13-L62 HydrophobicContact CD2-CD1 3.8Å; L13-L62 HydrophobicContact CG-CD1 4.12Å |
| 14 | L | 45.3 | Very low | 44.4 | Very low | 30 Ų | 30 | 83.4 Ų | 83.4 | 16% | 0.157 | 43% | 0.426 | C | S | . | . | trans | -94 | 106.8 | 173.6 | -76.9 | 144.6 | 0 | 0 | 0 | 107.9 | S16 G17 G18 L37 | L14-S16 PolarHBondContact O-N 3.48Å; L14-G17 PolarHBondContact O-N 3.08Å; L14-G18 VanDerWaalsContact CB-N 3.34Å; L14-G18 VanDerWaalsContact CD1-CA 3.48Å; L14-G18 WeakPolarHBondContact CD1-O 3.08Å; L14-L37 HydrophobicContact CD1-CD2 4.18Å; L14-L37 HydrophobicContact CD2-CD2 3.52Å; L14-L37 HydrophobicContact CG-CD2 4.14Å | ||
| 15 | R | 42.6 | Very low | 44.4 | Very low | 272 Ų | 272 | 80 Ų | 80 | 100% | 1.026 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -17.7 | 167.4 | -82.1 | -175.1 | 172.9 | -173.7 | -1.1 | 112.3 | ||
| 16 | S | 48.6 | Very low | 44.3 | Very low | 106 Ų | 106 | 79.1 Ų | 79.1 | 74% | 0.741 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 6.2 | 178.7 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | L14 G18 | L14-S16 PolarHBondContact O-N 3.48Å; S16-G18 PolarHBondContact O-N 2.87Å |
| 17 | G | 45 | Very low | 43.8 | Very low | 46 Ų | 46 | 78.8 Ų | 78.8 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | trans | 67 | 32.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L14 | L14-G17 PolarHBondContact O-N 3.08Š| ||
| 18 | G | 45.5 | Very low | 44 | Very low | 24 Ų | 24 | 81.1 Ų | 81.1 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | trans | -69 | 166.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L14 S16 | L14-G18 VanDerWaalsContact CB-N 3.34Å; L14-G18 VanDerWaalsContact CD1-CA 3.48Å; L14-G18 WeakPolarHBondContact CD1-O 3.08Å; S16-G18 PolarHBondContact O-N 2.87Å | ||
| 19 | T | 44.8 | Very low | 43.5 | Very low | 63 Ų | 63 | 86.8 Ų | 86.8 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | trans | -103.1 | 136.3 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | P35 | T19-P35 WeakPolarHBondContact O-CD 3.37Š| ||
| 20 | L | 47.1 | Very low | 43.6 | Very low | 9 Ų | 9 | 87.6 Ų | 87.6 | 5% | 0.047 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112.6 | 172.3 | -168.9 | 61.6 | 0 | 0 | 0 | 108.8 | F8 L10 V22 I33 L37 | F8-L20 HydrophobicContact CD2-CB 4.44Å; F8-L20 HydrophobicContact CE2-CB 4.12Å; F8-L20 HydrophobicContact CE2-CD2 3.7Å; F8-L20 HydrophobicContact CE2-CG 4.33Å; F8-L20 HydrophobicContact CZ-CB 4.35Å; F8-L20 HydrophobicContact CZ-CD2 3.54Å; F8-L20 HydrophobicContact CZ-CG 4.15Å; F8-L20 PolarHBondContact N-O 2.84Å; F8-L20 CarbonylContact O-C 3.54Å; F8-L20 PolarHBondContact O-N 2.94Å; L10-L20 HydrophobicContact CD1-CB 4.12Å; L10-L20 HydrophobicContact CD1-CD2 3.54Å; L10-L20 HydrophobicContact CD1-CG 4.43Å; L20-V22 HydrophobicContact CD2-CG2 3.92Å; L20-V22 HydrophobicContact CG-CG2 3.87Å; L20-I33 HydrophobicContact CD1-CG2 3.22Å; L20-I33 HydrophobicContact CD2-CG2 4.34Å; L20-I33 HydrophobicContact CG-CG2 4.14Å; L20-L37 HydrophobicContact CD1-CD1 3.41Å; L20-L37 VanDerWaalsContact CD1-CD1 3.41Å; L20-L37 HydrophobicContact CD1-CG 4.13Å; L20-L37 HydrophobicContact CD2-CD1 4.47Å; L20-L37 HydrophobicContact CG-CD1 4.44Å |
| 21 | N | 44.6 | Very low | 43.6 | Very low | 66 Ų | 66 | 88.6 Ų | 88.6 | 35% | 0.353 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117.5 | 169.1 | -71.2 | -24.4 | 0 | 0 | 0 | 107.7 | S7 S34 | S7-N21 WeakPolarHBondContact CB-OD1 3.19Å; S7-N21 PolarHBondContact OG-OD1 3.03Å; N21-S34 WeakPolarHBondContact CB-O 3.42Å; N21-S34 PolarHBondContact N-O 2.8Å; N21-S34 PolarHBondContact O-N 2.58Å; N21-S34 VanDerWaalsContact O-N 3.08Å |
| 22 | V | 50 | Low | 43.9 | Very low | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.024 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 106.3 | 174.1 | 176.7 | 0 | 0 | 0 | 0 | 107.2 | F6 F8 L20 L31 | F6-V22 HydrophobicContact CD2-CB 4.32Å; F6-V22 HydrophobicContact CE2-CB 3.71Å; F6-V22 HydrophobicContact CE2-CG1 3.74Å; F6-V22 HydrophobicContact CZ-CB 4.23Å; F6-V22 HydrophobicContact CZ-CG1 3.77Å; F6-V22 PolarHBondContact O-N 2.7Å; F8-V22 HydrophobicContact CD1-CG2 4.34Å; F8-V22 HydrophobicContact CE1-CB 3.74Å; F8-V22 HydrophobicContact CE1-CG2 3.26Å; F8-V22 HydrophobicContact CZ-CB 4.46Å; F8-V22 HydrophobicContact CZ-CG2 3.52Å; L20-V22 HydrophobicContact CD2-CG2 3.92Å; L20-V22 HydrophobicContact CG-CG2 3.87Å; V22-L31 HydrophobicContact CG1-CD1 3.56Å; V22-L31 HydrophobicContact CG1-CG 4.37Å |
| 23 | T | 45.2 | Very low | 44.4 | Very low | 61 Ų | 61 | 72.1 Ų | 72.1 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.3 | 174.4 | -51.9 | 0 | 0 | 0 | 0 | 107.4 | L25 T32 | T23-L25 HydrophobicContact CG2-CG 4.47Å; T23-L25 PolarHBondContact O-N 2.69Å; T23-T32 PolarHBondContact N-O 2.89Å |
| 24 | L | 44.9 | Very low | 44.4 | Very low | 45 Ų | 45 | 72.4 Ų | 72.4 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 109 | 166.7 | -126.6 | 93.7 | 0 | 0 | 0 | 107.8 | F6 L31 W58 | F6-L24 HydrophobicContact CE1-CB 3.96Å; F6-L24 HydrophobicContact CE1-CD1 3.71Å; F6-L24 HydrophobicContact CE1-CG 4.38Å; F6-L24 HydrophobicContact CZ-CD1 3.62Å; L24-L31 HydrophobicContact CD1-CD1 4.09Å; L24-W58 HydrophobicContact CD2-CZ2 3.98Å |
| 25 | L | 41.7 | Very low | 44.3 | Very low | 73 Ų | 73 | 74.4 Ų | 74.4 | 38% | 0.382 | 42% | 0.417 | S | S | . | . | trans | -81.6 | 160.5 | 164.9 | -70.4 | 160.3 | 0 | 0 | 0 | 108.3 | T23 S27 D30 | T23-L25 HydrophobicContact CG2-CG 4.47Å; T23-L25 PolarHBondContact O-N 2.69Å; L25-S27 CarbonylContact O-C 3.55Å; L25-S27 PolarHBondContact O-N 3.2Å; L25-S27 VanDerWaalsContact O-O 3.09Å; L25-D30 HydrophobicContact CB-CB 3.54Å; L25-D30 WeakPolarHBondContact CB-O 3.48Å; L25-D30 HydrophobicContact CD1-CB 3.78Å; L25-D30 WeakPolarHBondContact CD1-O 3.46Å; L25-D30 HydrophobicContact CG-CB 4.28Å | ||
| 26 | E | 41.6 | Very low | 44.4 | Very low | 91 Ų | 91 | 73 Ų | 73 | 43% | 0.425 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -64.5 | -11.5 | -164.6 | -69.6 | 169.4 | 147.9 | 0 | 0 | 114.9 | M1 T3 | M1-E26 WeakPolarHBondContact CB-OE1 3.22Å; M1-E26 HydrophobicContact CE-CB 3.75Å; M1-E26 HydrophobicContact CE-CG 4.06Å; M1-E26 WeakPolarHBondContact CE-OE2 3.34Å; M1-E26 HydrophobicContact CG-CG 4.43Å; M1-E26 WeakPolarHBondContact CG-OE1 3.41Å; M1-E26 VanDerWaalsContact SD-CD 3.51Å; T3-E26 HydrophobicContact CG2-CG 4.25Å |
| 27 | S | 37.2 | Very low | 44.1 | Very low | 44 Ų | 44 | 69.9 Ų | 69.9 | 31% | 0.308 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -105.3 | 136.3 | 168.1 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | L25 D29 D30 | L25-S27 CarbonylContact O-C 3.55Å; L25-S27 PolarHBondContact O-N 3.2Å; L25-S27 VanDerWaalsContact O-O 3.09Å; S27-D29 PolarHBondContact O-N 3.06Å; S27-D29 WeakPolarHBondContact OG-CB 3.26Å; S27-D29 PolarHBondContact OG-N 3.44Å; S27-D29 VanDerWaalsContact OG-N 3.09Å; S27-D29 PolarHBondContact OG-OD2 3.35Å; S27-D29 VanDerWaalsContact OG-OD2 3.1Å; S27-D30 PolarHBondContact O-N 3.41Å |
| 28 | L | 43.6 | Very low | 43.8 | Very low | 132 Ų | 132 | 74 Ų | 74 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -20.3 | 167.6 | -103.8 | 132.6 | 0 | 0 | 0 | 112.6 | D30 W58 | L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 3.08Å; L28-W58 HydrophobicContact CD1-CH2 4.18Å; L28-W58 HydrophobicContact CD2-CH2 4.05Å; L28-W58 HydrophobicContact CD2-CZ3 4.21Å; L28-W58 HydrophobicContact CG-CH2 4.2Å |
| 29 | D | 38.5 | Very low | 43.8 | Very low | 144 Ų | 144 | 77.3 Ų | 77.3 | 77% | 0.77 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20.4 | 178 | -59.7 | -43.8 | 0 | 0 | 0 | 113.1 | S27 | S27-D29 PolarHBondContact O-N 3.06Å; S27-D29 WeakPolarHBondContact OG-CB 3.26Å; S27-D29 PolarHBondContact OG-N 3.44Å; S27-D29 VanDerWaalsContact OG-N 3.09Å; S27-D29 PolarHBondContact OG-OD2 3.35Å; S27-D29 VanDerWaalsContact OG-OD2 3.1Å |
| 30 | D | 40.9 | Very low | 43.7 | Very low | 90 Ų | 90 | 80.8 Ų | 80.8 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -109.1 | 47.4 | -171 | -70.7 | -38.3 | 0 | 0 | 0 | 112.6 | L25 S27 L28 T32 | L25-D30 HydrophobicContact CB-CB 3.54Å; L25-D30 WeakPolarHBondContact CB-O 3.48Å; L25-D30 HydrophobicContact CD1-CB 3.78Å; L25-D30 WeakPolarHBondContact CD1-O 3.46Å; L25-D30 HydrophobicContact CG-CB 4.28Å; S27-D30 PolarHBondContact O-N 3.41Å; L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 3.08Å; D30-T32 PolarHBondContact O-N 3.39Å; D30-T32 VanDerWaalsContact O-N 3.14Å | ||
| 31 | L | 44.7 | Very low | 43.7 | Very low | 56 Ų | 56 | 84.6 Ų | 84.6 | 29% | 0.293 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 105.4 | 170.9 | -169.6 | 88.6 | 0 | 0 | 0 | 110.1 | V22 L24 I33 L45 L47 | V22-L31 HydrophobicContact CG1-CD1 3.56Å; V22-L31 HydrophobicContact CG1-CG 4.37Å; L24-L31 HydrophobicContact CD1-CD1 4.09Å; L31-I33 HydrophobicContact CD2-CD1 3.81Å; L31-I33 HydrophobicContact CD2-CG1 3.8Å; L31-I33 HydrophobicContact CG-CG1 4.28Å; L31-L45 HydrophobicContact CD2-CD2 4.37Å; L31-L47 HydrophobicContact CD1-CD1 3.4Å; L31-L47 HydrophobicContact CD2-CD1 3.35Å; L31-L47 HydrophobicContact CG-CD1 3.92Å |
| 32 | T | 45.7 | Very low | 43.8 | Very low | 74 Ų | 74 | 85.1 Ų | 85.1 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.5 | 172.1 | -48 | 0 | 0 | 0 | 0 | 110.4 | T23 D30 | T23-T32 PolarHBondContact N-O 2.89Å; D30-T32 PolarHBondContact O-N 3.39Å; D30-T32 VanDerWaalsContact O-N 3.14Å |
| 33 | I | 50.5 | Low | 43.9 | Very low | 32 Ų | 32 | 93.4 Ų | 93.4 | 16% | 0.164 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.8 | 176.7 | -58.1 | 179.1 | 0 | 0 | 0 | 108.1 | L20 L31 F39 L45 | L20-I33 HydrophobicContact CD1-CG2 3.22Å; L20-I33 HydrophobicContact CD2-CG2 4.34Å; L20-I33 HydrophobicContact CG-CG2 4.14Å; L31-I33 HydrophobicContact CD2-CD1 3.81Å; L31-I33 HydrophobicContact CD2-CG1 3.8Å; L31-I33 HydrophobicContact CG-CG1 4.28Å; I33-F39 HydrophobicContact CD1-CZ 4.27Å; I33-L45 HydrophobicContact CD1-CD2 3.22Å |
| 34 | S | 44.1 | Very low | 44.2 | Very low | 59 Ų | 59 | 92.8 Ų | 92.8 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139.7 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | N21 | N21-S34 WeakPolarHBondContact CB-O 3.42Å; N21-S34 PolarHBondContact N-O 2.8Å; N21-S34 PolarHBondContact O-N 2.58Å; N21-S34 VanDerWaalsContact O-N 3.08Å |
| 35 | P | 42.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 93.6 Ų | 93.6 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | S | Bend | cis | -68.1 | 160.6 | -5.4 | 30.3 | -34 | 0 | 0 | 0 | 111.3 | T19 L37 | T19-P35 WeakPolarHBondContact O-CD 3.37Å; P35-L37 PolarHBondContact O-N 2.93Å |
| 36 | W | 44.9 | Very low | 45.4 | Very low | 241 Ų | 241 | 90.8 Ų | 90.8 | 91% | 0.913 | 49% | 0.487 | S | S | * | . | trans | -57.3 | 89.7 | 174.6 | -71.9 | 47.6 | 0 | 0 | 0 | 108.2 | T38 | W36-T38 PolarHBondContact O-N 3.25Š| ||
| 37 | L | 42.7 | Very low | 46.3 | Very low | 42 Ų | 42 | 88.6 Ų | 88.6 | 22% | 0.22 | 48% | 0.478 | C | S | . | . | trans | -65.5 | 111.9 | 173 | -72.3 | 173.9 | 0 | 0 | 0 | 104.9 | L14 L20 P35 F39 | L14-L37 HydrophobicContact CD1-CD2 4.18Å; L14-L37 HydrophobicContact CD2-CD2 3.52Å; L14-L37 HydrophobicContact CG-CD2 4.14Å; L20-L37 HydrophobicContact CD1-CD1 3.41Å; L20-L37 VanDerWaalsContact CD1-CD1 3.41Å; L20-L37 HydrophobicContact CD1-CG 4.13Å; L20-L37 HydrophobicContact CD2-CD1 4.47Å; L20-L37 HydrophobicContact CG-CD1 4.44Å; P35-L37 PolarHBondContact O-N 2.93Å; L37-F39 WeakPolarHBondContact O-CD2 3.49Å; L37-F39 PolarHBondContact O-N 3.47Å | ||
| 38 | T | 39.3 | Very low | 47.2 | Very low | 131 Ų | 131 | 89.1 Ų | 89.1 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | trans | -60.8 | 97.5 | 162 | -11.4 | 0 | 0 | 0 | 0 | 104.7 | W36 V40 | W36-T38 PolarHBondContact O-N 3.25Å; T38-V40 VanDerWaalsContact C-N 3.33Å; T38-V40 WeakPolarHBondContact O-CG2 3.05Å; T38-V40 PolarHBondContact O-N 2.86Å | ||
| 39 | F | 46.3 | Very low | 47.9 | Very low | 94 Ų | 94 | 85.1 Ų | 85.1 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | trans | -63.9 | 99 | 176.8 | -69.5 | -88.1 | 0 | 0 | 0 | 106.5 | I33 L37 S41 F42 L45 | I33-F39 HydrophobicContact CD1-CZ 4.27Å; L37-F39 WeakPolarHBondContact O-CD2 3.49Å; L37-F39 PolarHBondContact O-N 3.47Å; F39-S41 PolarHBondContact O-N 3.31Å; F39-F42 HydrophobicContact CD1-CB 4.3Å; F39-L45 HydrophobicContact CZ-CD2 4.49Å | ||
| 40 | V | 41.6 | Very low | 48.7 | Very low | 136 Ų | 136 | 80.5 Ų | 80.5 | 82% | 0.824 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -70.5 | -10.9 | -175.3 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | T38 | T38-V40 VanDerWaalsContact C-N 3.33Å; T38-V40 WeakPolarHBondContact O-CG2 3.05Å; T38-V40 PolarHBondContact O-N 2.86Å |
| 41 | S | 46.8 | Very low | 49.3 | Very low | 89 Ų | 89 | 81.1 Ų | 81.1 | 62% | 0.622 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -168.6 | 17.8 | -178.1 | 63.1 | 0 | 0 | 0 | 0 | 116.3 | F39 | F39-S41 PolarHBondContact O-N 3.31Š|
| 42 | F | 48.1 | Very low | 49.5 | Very low | 77 Ų | 77 | 83.9 Ų | 83.9 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | trans | -118.4 | 106.3 | 179.1 | -62.6 | -75.4 | 0 | 0 | 0 | 109.1 | L13 F39 L62 | L13-F42 HydrophobicContact CD2-CD2 4.32Å; L13-F42 HydrophobicContact CD2-CE2 3.53Å; L13-F42 HydrophobicContact CD2-CZ 3.86Å; F39-F42 HydrophobicContact CD1-CB 4.3Å; F42-L62 HydrophobicContact CB-CD2 4.44Å; F42-L62 HydrophobicContact CD1-CB 4.45Å; F42-L62 HydrophobicContact CG-CD2 4.38Å | ||
| 43 | E | 50.2 | Low | 49.8 | Very low | 179 Ų | 179 | 83 Ų | 83 | 84% | 0.836 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -78.8 | -18.1 | -179.6 | -71.6 | -174.4 | 155.1 | 0 | 0 | 112.8 | C65 | E43-C65 VanDerWaalsContact CB-SG 3.58Š|
| 44 | C | 52 | Low | 50.1 | Low | 47 Ų | 47 | 93.5 Ų | 93.5 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 105.3 | -176.7 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | A63 C65 | C44-A63 CarbonylContact C-O 3.53Å; C44-A63 WeakPolarHBondContact CA-O 3.33Å; C44-A63 HydrophobicContact CB-CB 3.84Å; C44-A63 VanDerWaalsContact CB-O 3.26Å; C44-A63 WeakPolarHBondContact CB-O 2.94Å; C44-A63 PolarHBondContact N-O 2.07Å; C44-A63 CarbonylContact O-C 3.55Å; C44-A63 PolarHBondContact O-N 2.83Å; C44-C65 HydrophobicContact CB-CB 4.35Å; C44-C65 WeakPolarHBondContact CB-SG 3.06Å; C44-C65 WeakPolarHBondContact SG-CB 2.92Å; C44-C65 CovalentContact SG-SG 2.07Å; C44-C65 PolarHBondContact SG-SG 3.09Å |
| 45 | L | 57.6 | Low | 50.5 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.4 | 163.3 | -178.1 | 85 | 0 | 0 | 0 | 108.8 | L31 I33 F39 I60 L62 | L31-L45 HydrophobicContact CD2-CD2 4.37Å; I33-L45 HydrophobicContact CD1-CD2 3.22Å; F39-L45 HydrophobicContact CZ-CD2 4.49Å; L45-I60 HydrophobicContact CD1-CG2 3.73Å; L45-L62 HydrophobicContact CD1-CD2 3.4Å; L45-L62 HydrophobicContact CD1-CG 3.97Å |
| 46 | G | 55.5 | Low | 51.1 | Low | 13 Ų | 13 | 93 Ų | 93 | 13% | 0.134 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I60 F61 | G46-I60 WeakPolarHBondContact O-CA 3.24Å; G46-F61 PolarHBondContact N-O 2.87Å; G46-F61 WeakPolarHBondContact O-CD1 3.27Å; G46-F61 PolarHBondContact O-N 2.76Å |
| 47 | L | 59.8 | Low | 51.4 | Low | 45 Ų | 45 | 82.7 Ų | 82.7 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.7 | 167.3 | -75.6 | 128 | 0 | 0 | 0 | 108.5 | L31 W58 R59 I60 | L31-L47 HydrophobicContact CD1-CD1 3.4Å; L31-L47 HydrophobicContact CD2-CD1 3.35Å; L31-L47 HydrophobicContact CG-CD1 3.92Å; L47-W58 HydrophobicContact CB-CE3 4.43Å; L47-W58 HydrophobicContact CD2-CE3 4.48Å; L47-R59 WeakPolarHBondContact CA-O 3.46Å; L47-I60 HydrophobicContact CD2-CD1 4.13Å; L47-I60 HydrophobicContact CD2-CG1 3.48Å; L47-I60 VanDerWaalsContact CD2-CG1 3.48Å; L47-I60 HydrophobicContact CG-CG1 4.08Å |
| 48 | T | 56.7 | Low | 52 | Low | 55 Ų | 55 | 82.2 Ų | 82.2 | 34% | 0.337 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.2 | 170.9 | -174 | 0 | 0 | 0 | 0 | 109.8 | M50 R59 F61 | T48-M50 HydrophobicContact CG2-CG 4.26Å; T48-R59 HydrophobicContact CG2-CB 3.78Å; T48-R59 PolarHBondContact N-O 3.14Å; T48-R59 PolarHBondContact O-N 3.36Å; T48-F61 HydrophobicContact CG2-CD1 4.09Å; T48-F61 HydrophobicContact CG2-CE1 4.16Å |
| 49 | C | 58.3 | Low | 52.7 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 32% | 0.324 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 116.9 | 169 | 168.2 | 0 | 0 | 0 | 0 | 107.5 | W58 C77 | C49-W58 HydrophobicContact CB-CD2 4.36Å; C49-W58 HydrophobicContact CB-CE3 3.87Å; C49-W58 HydrophobicContact CB-CH2 4.12Å; C49-W58 HydrophobicContact CB-CZ3 3.74Å; C49-C77 VanDerWaalsContact CA-SG 3.53Å; C49-C77 HydrophobicContact CB-CB 3.62Å; C49-C77 WeakPolarHBondContact CB-SG 2.97Å; C49-C77 WeakPolarHBondContact SG-CB 3.48Å; C49-C77 CovalentContact SG-SG 2.02Å; C49-C77 PolarHBondContact SG-SG 3.25Å |
| 50 | M | 53.5 | Low | 53.3 | Low | 47 Ų | 47 | 74.6 Ų | 74.6 | 23% | 0.232 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123 | 173.9 | -82.9 | -169.9 | 38.1 | 0 | 0 | 110.9 | T48 V52 S57 R59 | T48-M50 HydrophobicContact CG2-CG 4.26Å; M50-V52 HydrophobicContact CE-CG2 3.42Å; M50-V52 VanDerWaalsContact CE-CG2 3.42Å; M50-S57 PolarHBondContact N-O 2.65Å; M50-S57 PolarHBondContact O-N 3.02Å; M50-R59 HydrophobicContact CB-CG 4.47Å; M50-R59 VanDerWaalsContact CE-NH2 3.3Å; M50-R59 WeakPolarHBondContact SD-CD 3.41Å; M50-R59 HydrophobicContact SD-CG 4.37Å; M50-R59 PolarHBondContact SD-NE 3.35Å; M50-R59 PolarHBondContact SD-NH1 3Å |
| 51 | T | 53.8 | Low | 53.9 | Low | 104 Ų | 104 | 71.5 Ų | 71.5 | 64% | 0.638 | 39% | 0.392 | S | S | * | . | trans | -100.4 | 66.9 | 175.6 | 44.8 | 0 | 0 | 0 | 0 | 109.7 | G53 | T51-G53 PolarHBondContact O-N 3.14Š| ||
| 52 | V | 50.2 | Low | 54.1 | Low | 113 Ų | 113 | 68.1 Ų | 68.1 | 69% | 0.685 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -96.6 | 88.6 | 172.9 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | M50 | M50-V52 HydrophobicContact CE-CG2 3.42Å; M50-V52 VanDerWaalsContact CE-CG2 3.42Å |
| 53 | G | 51.9 | Low | 54 | Low | 56 Ų | 56 | 65.3 Ų | 65.3 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 70 | 166 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T51 P55 | T51-G53 PolarHBondContact O-N 3.14Å; G53-P55 CarbonylContact O-C 3.35Å |
| 54 | R | 55.9 | Low | 53.9 | Low | 252 Ų | 252 | 60.1 Ų | 60.1 | 95% | 0.951 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -81.5 | 134.4 | 171.8 | -72.4 | -174.5 | 176.7 | -171.3 | 0 | 108.7 | ||
| 55 | P | 52.5 | Low | 53.8 | Low | 93 Ų | 93 | 61.2 Ų | 61.2 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | S | Bend | cis | -84.7 | 147.3 | 0.6 | 31.5 | -31.2 | 0 | 0 | 0 | 113.6 | G53 I76 | G53-P55 CarbonylContact O-C 3.35Å; P55-I76 HydrophobicContact CB-CD1 4.36Å; P55-I76 HydrophobicContact CB-CG1 3.76Å |
| 56 | S | 54.7 | Low | 53.2 | Low | 28 Ų | 28 | 63.5 Ų | 63.5 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 152.7 | 167.5 | -36.8 | 0 | 0 | 0 | 0 | 110.3 | I76 C77 | S56-I76 WeakPolarHBondContact O-CA 2.99Å; S56-I76 PolarHBondContact O-N 3.13Å; S56-C77 WeakPolarHBondContact CB-O 3.08Å; S56-C77 WeakPolarHBondContact CB-SG 3.45Å; S56-C77 PolarHBondContact OG-O 2.02Å; S56-C77 VanDerWaalsContact OG-O 3.13Å |
| 57 | S | 52.1 | Low | 52.7 | Low | 24 Ų | 24 | 67.2 Ų | 67.2 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 136.9 | 176.5 | 59.9 | 0 | 0 | 0 | 0 | 111 | M50 L74 | M50-S57 PolarHBondContact N-O 2.65Å; M50-S57 PolarHBondContact O-N 3.02Å; S57-L74 CarbonylContact C-O 3.55Å; S57-L74 WeakPolarHBondContact CA-O 3.37Å; S57-L74 WeakPolarHBondContact CB-O 3.04Å |
| 58 | W | 56.1 | Low | 52 | Low | 32 Ų | 32 | 72.1 Ų | 72.1 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 135.3 | 165 | -70.2 | 104 | 0 | 0 | 0 | 108.5 | L24 L28 L47 C49 L72 L74 C77 | L24-W58 HydrophobicContact CD2-CZ2 3.98Å; L28-W58 HydrophobicContact CD1-CH2 4.18Å; L28-W58 HydrophobicContact CD2-CH2 4.05Å; L28-W58 HydrophobicContact CD2-CZ3 4.21Å; L28-W58 HydrophobicContact CG-CH2 4.2Å; L47-W58 HydrophobicContact CB-CE3 4.43Å; L47-W58 HydrophobicContact CD2-CE3 4.48Å; C49-W58 HydrophobicContact CB-CD2 4.36Å; C49-W58 HydrophobicContact CB-CE3 3.87Å; C49-W58 HydrophobicContact CB-CH2 4.12Å; C49-W58 HydrophobicContact CB-CZ3 3.74Å; W58-L72 VanDerWaalsContact O-O 3.09Å; W58-L74 HydrophobicContact CB-CB 3.95Å; W58-L74 HydrophobicContact CB-CD1 4.07Å; W58-L74 PolarHBondContact N-O 2.95Å; W58-L74 VanDerWaalsContact N-O 3.14Å; W58-L74 PolarHBondContact O-N 3.06Å; W58-C77 HydrophobicContact CD2-CB 3.67Å; W58-C77 HydrophobicContact CE3-CB 4.42Å; W58-C77 HydrophobicContact CG-CB 3.88Å; W58-C77 HydrophobicContact CH2-CB 4.47Å; W58-C77 HydrophobicContact CZ2-CB 3.75Å; W58-C77 VanDerWaalsContact NE1-CB 3.3Å |
| 59 | R | 54 | Low | 51.6 | Low | 48 Ų | 48 | 76.6 Ų | 76.6 | 18% | 0.181 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.9 | 167.1 | -68.6 | -169.1 | -179.9 | -173.3 | -9.9 | 108.3 | L47 T48 M50 Q71 | L47-R59 WeakPolarHBondContact CA-O 3.46Å; T48-R59 HydrophobicContact CG2-CB 3.78Å; T48-R59 PolarHBondContact N-O 3.14Å; T48-R59 PolarHBondContact O-N 3.36Å; M50-R59 HydrophobicContact CB-CG 4.47Å; M50-R59 VanDerWaalsContact CE-NH2 3.3Å; M50-R59 WeakPolarHBondContact SD-CD 3.41Å; M50-R59 HydrophobicContact SD-CG 4.37Å; M50-R59 PolarHBondContact SD-NE 3.35Å; M50-R59 PolarHBondContact SD-NH1 3Å; R59-Q71 VanDerWaalsContact CZ-OE1 3.32Å |
| 60 | I | 58 | Low | 51 | Low | 18 Ų | 18 | 79.1 Ų | 79.1 | 9% | 0.092 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.9 | 164.6 | -60 | 173.7 | 0 | 0 | 0 | 105.8 | F8 L45 G46 L47 L72 L74 | F8-I60 HydrophobicContact CE1-CD1 3.6Å; F8-I60 HydrophobicContact CE2-CD1 4.15Å; F8-I60 HydrophobicContact CZ-CD1 3.27Å; L45-I60 HydrophobicContact CD1-CG2 3.73Å; G46-I60 WeakPolarHBondContact O-CA 3.24Å; L47-I60 HydrophobicContact CD2-CD1 4.13Å; L47-I60 HydrophobicContact CD2-CG1 3.48Å; L47-I60 VanDerWaalsContact CD2-CG1 3.48Å; L47-I60 HydrophobicContact CG-CG1 4.08Å; I60-L72 HydrophobicContact CD1-CD2 4.49Å; I60-L74 HydrophobicContact CD1-CD1 3.72Å; I60-L74 HydrophobicContact CG1-CD1 4.06Å |
| 61 | F | 54.3 | Low | 50.5 | Low | 71 Ų | 71 | 81.3 Ų | 81.3 | 31% | 0.311 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.4 | 171.1 | 63.3 | -87.6 | 0 | 0 | 0 | 109.7 | G46 T48 A63 | G46-F61 PolarHBondContact N-O 2.87Å; G46-F61 WeakPolarHBondContact O-CD1 3.27Å; G46-F61 PolarHBondContact O-N 2.76Å; T48-F61 HydrophobicContact CG2-CD1 4.09Å; T48-F61 HydrophobicContact CG2-CE1 4.16Å; F61-A63 HydrophobicContact CD2-CB 4.1Å; F61-A63 HydrophobicContact CE2-CB 4.27Å |
| 62 | L | 51.9 | Low | 50.1 | Low | 18 Ų | 18 | 79.3 Ų | 79.3 | 9% | 0.094 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 98.7 | 172.5 | -72.2 | 153.1 | 0 | 0 | 0 | 106.6 | L13 F42 L45 | L13-L62 HydrophobicContact CD1-CD1 3.21Å; L13-L62 HydrophobicContact CD2-CD1 3.8Å; L13-L62 HydrophobicContact CG-CD1 4.12Å; F42-L62 HydrophobicContact CB-CD2 4.44Å; F42-L62 HydrophobicContact CD1-CB 4.45Å; F42-L62 HydrophobicContact CG-CD2 4.38Å; L45-L62 HydrophobicContact CD1-CD2 3.4Å; L45-L62 HydrophobicContact CD1-CG 3.97Å |
| 63 | A | 45.7 | Very low | 49.6 | Very low | 17 Ų | 17 | 80.9 Ų | 80.9 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108 | C44 F61 C65 | C44-A63 CarbonylContact C-O 3.53Å; C44-A63 WeakPolarHBondContact CA-O 3.33Å; C44-A63 HydrophobicContact CB-CB 3.84Å; C44-A63 VanDerWaalsContact CB-O 3.26Å; C44-A63 WeakPolarHBondContact CB-O 2.94Å; C44-A63 PolarHBondContact N-O 2.07Å; C44-A63 CarbonylContact O-C 3.55Å; C44-A63 PolarHBondContact O-N 2.83Å; F61-A63 HydrophobicContact CD2-CB 4.1Å; F61-A63 HydrophobicContact CE2-CB 4.27Å; A63-C65 PolarHBondContact O-N 2.81Å |
| 64 | D | 46.5 | Very low | 49.4 | Very low | 70 Ų | 70 | 79.1 Ų | 79.1 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | trans | -55.9 | 127.8 | 132.1 | 168.6 | -29.6 | 0 | 0 | 0 | 103.9 | T66 S67 F68 | D64-T66 PolarHBondContact O-N 2.96Å; D64-T66 WeakPolarHBondContact OD1-CB 2.94Å; D64-T66 PolarHBondContact OD1-N 3.03Å; D64-T66 PolarHBondContact OD1-OG1 3.06Å; D64-T66 PolarHBondContact OD2-OG1 3.49Å; D64-S67 PolarHBondContact O-N 3.1Å; D64-F68 HydrophobicContact CB-CD2 4.42Å | ||
| 65 | C | 51.8 | Low | 48.8 | Very low | 70 Ų | 70 | 72.2 Ų | 72.2 | 47% | 0.473 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 8.3 | -176.8 | -45.9 | 0 | 0 | 0 | 0 | 113.2 | E43 C44 A63 | E43-C65 VanDerWaalsContact CB-SG 3.58Å; C44-C65 HydrophobicContact CB-CB 4.35Å; C44-C65 WeakPolarHBondContact CB-SG 3.06Å; C44-C65 WeakPolarHBondContact SG-CB 2.92Å; C44-C65 CovalentContact SG-SG 2.07Å; C44-C65 PolarHBondContact SG-SG 3.09Å; A63-C65 PolarHBondContact O-N 2.81Å |
| 66 | T | 44.6 | Very low | 48.8 | Very low | 112 Ų | 112 | 71.9 Ų | 71.9 | 69% | 0.687 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -14.3 | 171.9 | 68.6 | 0 | 0 | 0 | 0 | 118.1 | D64 | D64-T66 PolarHBondContact O-N 2.96Å; D64-T66 WeakPolarHBondContact OD1-CB 2.94Å; D64-T66 PolarHBondContact OD1-N 3.03Å; D64-T66 PolarHBondContact OD1-OG1 3.06Å; D64-T66 PolarHBondContact OD2-OG1 3.49Å |
| 67 | S | 44.3 | Very low | 48.7 | Very low | 90 Ų | 90 | 70.7 Ų | 70.7 | 63% | 0.629 | 37% | 0.372 | S | S | * | . | trans | 149.4 | 99.6 | 165.7 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | D64 | D64-S67 PolarHBondContact O-N 3.1Š| ||
| 68 | F | 45.9 | Very low | 48.4 | Very low | 149 Ų | 149 | 79.9 Ų | 79.9 | 65% | 0.654 | 40% | 0.403 | S | S | * | . | trans | -151.8 | 124.6 | 155 | -91.4 | -80.2 | 0 | 0 | 0 | 109.3 | D64 | D64-F68 HydrophobicContact CB-CD2 4.42Š| ||
| 69 | E | 48.3 | Very low | 47.6 | Very low | 149 Ų | 149 | 83.7 Ų | 83.7 | 70% | 0.696 | 44% | 0.435 | S | S | * | . | trans | -103.8 | 101.4 | 170.7 | -71.9 | -164.6 | 168.1 | 0 | 0 | 109.5 | Q71 | E69-Q71 PolarHBondContact OE2-NE2 3.34Š| ||
| 70 | Q | 45.8 | Very low | 46.7 | Very low | 101 Ų | 101 | 92.3 Ų | 92.3 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | trans | -95 | 115.7 | 157.1 | -78.7 | -172.4 | -13.6 | 0 | 0 | 108.1 | ||||
| 71 | Q | 43.3 | Very low | 46.1 | Very low | 93 Ų | 93 | 96 Ų | 96 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | trans | -94.7 | 111.1 | -179.7 | -64.4 | 176.1 | 7.6 | 0 | 0 | 109.5 | R59 E69 | R59-Q71 VanDerWaalsContact CZ-OE1 3.32Å; E69-Q71 PolarHBondContact OE2-NE2 3.34Å | ||
| 72 | L | 44.1 | Very low | 45.7 | Very low | 62 Ų | 62 | 97.3 Ų | 97.3 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 116.1 | 163.9 | -169.8 | 74.6 | 0 | 0 | 0 | 108.3 | F8 W58 I60 L74 | F8-L72 HydrophobicContact CD1-CD2 4.47Å; F8-L72 HydrophobicContact CD2-CD2 3.61Å; F8-L72 HydrophobicContact CE2-CD2 3.78Å; F8-L72 HydrophobicContact CG-CD2 3.98Å; F8-L72 HydrophobicContact CZ-CD2 4.31Å; W58-L72 VanDerWaalsContact O-O 3.09Å; I60-L72 HydrophobicContact CD1-CD2 4.49Å; L72-L74 HydrophobicContact CD2-CD2 4.11Å; L72-L74 HydrophobicContact CD2-CG 4.26Å; L72-L74 PolarHBondContact O-N 3.14Å |
| 73 | M | 41.1 | Very low | 45.3 | Very low | 145 Ų | 145 | 101.7 Ų | 101.7 | 71% | 0.714 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 108.7 | 174.2 | -66.9 | -176 | -159.4 | 0 | 0 | 109.5 | ||
| 74 | L | 47.4 | Very low | 45.3 | Very low | 20 Ų | 20 | 106.7 Ų | 106.7 | 11% | 0.105 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.6 | 170.5 | -69 | 170 | 0 | 0 | 0 | 110.3 | F6 F8 S57 W58 I60 L72 I76 | F6-L74 HydrophobicContact CD2-CD1 4.3Å; F6-L74 HydrophobicContact CD2-CD2 4.31Å; F6-L74 HydrophobicContact CE2-CD1 3.67Å; F6-L74 HydrophobicContact CE2-CD2 4.48Å; F6-L74 HydrophobicContact CZ-CD1 4.16Å; F8-L74 HydrophobicContact CD1-CD2 4.41Å; S57-L74 CarbonylContact C-O 3.55Å; S57-L74 WeakPolarHBondContact CA-O 3.37Å; S57-L74 WeakPolarHBondContact CB-O 3.04Å; W58-L74 HydrophobicContact CB-CB 3.95Å; W58-L74 HydrophobicContact CB-CD1 4.07Å; W58-L74 PolarHBondContact N-O 2.95Å; W58-L74 VanDerWaalsContact N-O 3.14Å; W58-L74 PolarHBondContact O-N 3.06Å; I60-L74 HydrophobicContact CD1-CD1 3.72Å; I60-L74 HydrophobicContact CG1-CD1 4.06Å; L72-L74 HydrophobicContact CD2-CD2 4.11Å; L72-L74 HydrophobicContact CD2-CG 4.26Å; L72-L74 PolarHBondContact O-N 3.14Å; L74-I76 PolarHBondContact O-N 2.92Å |
| 75 | P | 42.5 | Very low | 45.2 | Very low | 107 Ų | 107 | 109 Ų | 109 | 70% | 0.695 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.1 | -178.2 | 28.8 | -31.9 | 0 | 0 | 0 | 111.6 | ||
| 76 | I | 51.9 | Low | 44.8 | Very low | 86 Ų | 86 | 111.6 Ų | 111.6 | 44% | 0.441 | 58% | 0.578 | S | S | . | * | trans | 69 | 96.7 | 159.5 | -50.4 | 166.4 | 0 | 0 | 0 | 115.7 | P55 S56 L74 R78 | P55-I76 HydrophobicContact CB-CD1 4.36Å; P55-I76 HydrophobicContact CB-CG1 3.76Å; S56-I76 WeakPolarHBondContact O-CA 2.99Å; S56-I76 PolarHBondContact O-N 3.13Å; L74-I76 PolarHBondContact O-N 2.92Å; I76-R78 HydrophobicContact CG2-CG 3.78Å | ||
| 77 | C | 52.5 | Low | 44.8 | Very low | 2 Ų | 2 | 111.6 Ų | 111.6 | 1% | 0.014 | 57% | 0.57 | C | S | . | * | trans | -88.3 | 109.2 | 148.5 | 53.5 | 0 | 0 | 0 | 0 | 108.9 | C49 S56 W58 | C49-C77 VanDerWaalsContact CA-SG 3.53Å; C49-C77 HydrophobicContact CB-CB 3.62Å; C49-C77 WeakPolarHBondContact CB-SG 2.97Å; C49-C77 WeakPolarHBondContact SG-CB 3.48Å; C49-C77 CovalentContact SG-SG 2.02Å; C49-C77 PolarHBondContact SG-SG 3.25Å; S56-C77 WeakPolarHBondContact CB-O 3.08Å; S56-C77 WeakPolarHBondContact CB-SG 3.45Å; S56-C77 PolarHBondContact OG-O 2.02Å; S56-C77 VanDerWaalsContact OG-O 3.13Å; W58-C77 HydrophobicContact CD2-CB 3.67Å; W58-C77 HydrophobicContact CE3-CB 4.42Å; W58-C77 HydrophobicContact CG-CB 3.88Å; W58-C77 HydrophobicContact CH2-CB 4.47Å; W58-C77 HydrophobicContact CZ2-CB 3.75Å; W58-C77 VanDerWaalsContact NE1-CB 3.3Å | ||
| 78 | R | 45.8 | Very low | 44.9 | Very low | 217 Ų | 217 | 113.2 Ų | 113.2 | 82% | 0.819 | 57% | 0.566 | S | S | * | * | trans | -84.3 | 120.5 | 162.1 | -75.9 | -174.7 | 178.7 | -178.6 | -0.1 | 106.3 | I76 L80 | I76-R78 HydrophobicContact CG2-CG 3.78Å; R78-L80 PolarHBondContact O-N 3.47Å | ||
| 79 | S | 39.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 110.3 Ų | 110.3 | 79% | 0.79 | 56% | 0.558 | S | S | * | * | trans | -60.8 | 121.9 | 161.5 | 63.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 80 | L | 34.9 | Very low | 44.4 | Very low | 228 Ų | 228 | 106.7 Ų | 106.7 | 100% | 1.194 | 55% | 0.546 | S | S | * | . | trans | -68.1 | 0 | 157.9 | -81.4 | 164.1 | 0 | 0 | 0 | 108.8 | R78 | R78-L80 PolarHBondContact O-N 3.47Š|
Retrieved 80 of 80 residues in 247.7 ms
(Link to these results)