| 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 | 38 | Very low | 208 Ų | 208 | 96.3 Ų | 96.3 | 100% | 1.025 | 51% | 0.506 | S | S | * | . | 0 | 116.7 | 0 | -85.3 | 160.5 | 154.9 | 0 | 0 | 108.5 | R3 | M1-R3 PolarHBondContact O-N 2.78Š| |||
| 2 | P | 37.2 | Very low | 38.3 | Very low | 101 Ų | 101 | 93 Ų | 93 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | trans | -58.2 | 136.2 | 169.5 | 25.2 | -30.8 | 0 | 0 | 0 | 108.7 | V7 | P2-V7 HydrophobicContact CB-CG2 4.18Å; P2-V7 HydrophobicContact CG-CG2 4.3Å | ||
| 3 | R | 31.7 | Very low | 38.6 | Very low | 198 Ų | 198 | 98.8 Ų | 98.8 | 75% | 0.747 | 51% | 0.507 | S | S | * | . | trans | -68.4 | 146.7 | 178.3 | -71.5 | -178.1 | 173.9 | 177.6 | -0.5 | 108.8 | M1 D5 D6 V7 | M1-R3 PolarHBondContact O-N 2.78Å; R3-D5 PolarHBondContact O-N 2.92Å; R3-D6 WeakPolarHBondContact O-CB 3.03Å; R3-D6 PolarHBondContact O-N 3.04Å; R3-V7 PolarHBondContact O-N 3.06Å | ||
| 4 | C | 38.2 | Very low | 39 | Very low | 43 Ų | 43 | 102.7 Ų | 102.7 | 29% | 0.291 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -50.3 | -32.7 | 176.8 | -129.7 | 0 | 0 | 0 | 0 | 112.8 | T8 C26 | C4-T8 WeakPolarHBondContact O-CB 3.43Å; C4-T8 PolarHBondContact O-N 2.78Å; C4-T8 PolarHBondContact O-OG1 3.3Å; C4-C26 HydrophobicContact CB-CB 4.4Å; C4-C26 WeakPolarHBondContact CB-SG 3.19Å; C4-C26 WeakPolarHBondContact SG-CB 3.37Å; C4-C26 CovalentContact SG-SG 2.02Å; C4-C26 PolarHBondContact SG-SG 3.2Å |
| 5 | D | 39.1 | Very low | 39.1 | Very low | 125 Ų | 125 | 101.6 Ų | 101.6 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 174.1 | -68.6 | -89.8 | 0 | 0 | 0 | 114 | R3 T8 A9 | R3-D5 PolarHBondContact O-N 2.92Å; D5-T8 PolarHBondContact O-N 2.93Å; D5-A9 WeakPolarHBondContact O-CB 3.48Å; D5-A9 PolarHBondContact O-N 3.44Å |
| 6 | D | 38.2 | Very low | 39.2 | Very low | 100 Ų | 100 | 104.1 Ų | 104.1 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 179 | -109.6 | -77.6 | 0 | 0 | 0 | 110.6 | R3 T8 A9 E10 | R3-D6 WeakPolarHBondContact O-CB 3.03Å; R3-D6 PolarHBondContact O-N 3.04Å; D6-T8 PolarHBondContact O-N 3Å; D6-A9 PolarHBondContact O-N 3.2Å; D6-E10 PolarHBondContact O-N 3.3Å |
| 7 | V | 37.7 | Very low | 39.3 | Very low | 40 Ų | 40 | 106.5 Ų | 106.5 | 24% | 0.242 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | -179.8 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | P2 R3 A9 E10 M11 A24 | P2-V7 HydrophobicContact CB-CG2 4.18Å; P2-V7 HydrophobicContact CG-CG2 4.3Å; R3-V7 PolarHBondContact O-N 3.06Å; V7-A9 PolarHBondContact O-N 2.97Å; V7-E10 PolarHBondContact O-N 2.87Å; V7-M11 HydrophobicContact CG1-CG 4.44Å; V7-M11 HydrophobicContact CG1-SD 4.05Å; V7-M11 WeakPolarHBondContact O-CB 3.28Å; V7-M11 WeakPolarHBondContact O-CG 3.45Å; V7-M11 PolarHBondContact O-N 2.99Å; V7-A24 HydrophobicContact CG1-CB 3.41Å; V7-A24 VanDerWaalsContact CG1-CB 3.41Å |
| 8 | T | 41.4 | Very low | 38.8 | Very low | 52 Ų | 52 | 109.7 Ų | 109.7 | 32% | 0.319 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 175.1 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | C4 D5 D6 M11 C12 | C4-T8 WeakPolarHBondContact O-CB 3.43Å; C4-T8 PolarHBondContact O-N 2.78Å; C4-T8 PolarHBondContact O-OG1 3.3Å; D5-T8 PolarHBondContact O-N 2.93Å; D6-T8 PolarHBondContact O-N 3Å; T8-M11 PolarHBondContact O-N 3.45Å; T8-C12 WeakPolarHBondContact O-CB 3.37Å; T8-C12 PolarHBondContact O-N 3.2Å |
| 9 | A | 40.6 | Very low | 38.7 | Very low | 49 Ų | 49 | 110.2 Ų | 110.2 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.7 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D5 D6 V7 R13 | D5-A9 WeakPolarHBondContact O-CB 3.48Å; D5-A9 PolarHBondContact O-N 3.44Å; D6-A9 PolarHBondContact O-N 3.2Å; V7-A9 PolarHBondContact O-N 2.97Å; A9-R13 PolarHBondContact O-N 2.92Å; A9-R13 VanDerWaalsContact O-N 3.11Å |
| 10 | E | 41.8 | Very low | 38.4 | Very low | 88 Ų | 88 | 108.6 Ų | 108.6 | 41% | 0.411 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.9 | -40.9 | 174.8 | -148.4 | -174.1 | 122.1 | 0 | 0 | 111.5 | D6 V7 C12 R13 R14 | D6-E10 PolarHBondContact O-N 3.3Å; V7-E10 PolarHBondContact O-N 2.87Å; E10-C12 VanDerWaalsContact C-N 3.31Å; E10-C12 PolarHBondContact O-N 3.32Å; E10-R13 WeakPolarHBondContact O-CB 3.46Å; E10-R13 PolarHBondContact O-N 3.45Å; E10-R14 WeakPolarHBondContact O-CG 3.08Å; E10-R14 PolarHBondContact O-N 3.47Å; E10-R14 IonicContact OE1-CZ 3.63Å; E10-R14 IonicContact OE1-NE 3.4Å; E10-R14 PolarHBondContact OE1-NE 3.03Å; E10-R14 IonicContact OE1-NH2 2.97Å; E10-R14 PolarHBondContact OE1-NH2 2.67Å |
| 11 | M | 43.5 | Very low | 38.1 | Very low | 55 Ų | 55 | 105.5 Ų | 105.5 | 27% | 0.271 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 174.1 | -72.3 | 172.6 | 68.3 | 0 | 0 | 112.8 | V7 T8 Q15 S22 | V7-M11 HydrophobicContact CG1-CG 4.44Å; V7-M11 HydrophobicContact CG1-SD 4.05Å; V7-M11 WeakPolarHBondContact O-CB 3.28Å; V7-M11 WeakPolarHBondContact O-CG 3.45Å; V7-M11 PolarHBondContact O-N 2.99Å; T8-M11 PolarHBondContact O-N 3.45Å; M11-Q15 WeakPolarHBondContact O-CG 3.29Å; M11-Q15 PolarHBondContact O-N 3.48Å; M11-Q15 VanDerWaalsContact O-N 3.13Å; M11-Q15 PolarHBondContact O-NE2 2.86Å; M11-S22 VanDerWaalsContact CE-O 3.23Å; M11-S22 WeakPolarHBondContact CE-O 3.46Å |
| 12 | C | 41.2 | Very low | 38.3 | Very low | 57 Ų | 57 | 99.1 Ų | 99.1 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 175.8 | -160 | 0 | 0 | 0 | 0 | 111.7 | T8 E10 N16 | T8-C12 WeakPolarHBondContact O-CB 3.37Å; T8-C12 PolarHBondContact O-N 3.2Å; E10-C12 VanDerWaalsContact C-N 3.31Å; E10-C12 PolarHBondContact O-N 3.32Å; C12-N16 PolarHBondContact O-ND2 3.18Å |
| 13 | R | 42.6 | Very low | 38.2 | Very low | 169 Ų | 169 | 96.3 Ų | 96.3 | 64% | 0.638 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -47.6 | 172 | -91.6 | -171.9 | -80.2 | 170 | -4.8 | 111.9 | A9 E10 Q15 N16 | A9-R13 PolarHBondContact O-N 2.92Å; A9-R13 VanDerWaalsContact O-N 3.11Å; E10-R13 WeakPolarHBondContact O-CB 3.46Å; E10-R13 PolarHBondContact O-N 3.45Å; R13-Q15 VanDerWaalsContact C-N 3.34Å; R13-Q15 PolarHBondContact O-N 3.39Å; R13-N16 PolarHBondContact O-N 3.3Å |
| 14 | R | 43.5 | Very low | 38.4 | Very low | 153 Ų | 153 | 89.4 Ų | 89.4 | 58% | 0.577 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.1 | -21.9 | -177.5 | -64.9 | -158.6 | -167 | -144.7 | 6.3 | 114.6 | E10 N16 E17 | E10-R14 WeakPolarHBondContact O-CG 3.08Å; E10-R14 PolarHBondContact O-N 3.47Å; E10-R14 IonicContact OE1-CZ 3.63Å; E10-R14 IonicContact OE1-NE 3.4Å; E10-R14 PolarHBondContact OE1-NE 3.03Å; E10-R14 IonicContact OE1-NH2 2.97Å; E10-R14 PolarHBondContact OE1-NH2 2.67Å; R14-N16 PolarHBondContact O-N 3.25Å; R14-E17 PolarHBondContact O-N 3.06Å |
| 15 | Q | 41.4 | Very low | 38.3 | Very low | 86 Ų | 86 | 89.4 Ų | 89.4 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.2 | 173.6 | -89.3 | 179.5 | 87.2 | 0 | 0 | 114.5 | M11 R13 | M11-Q15 WeakPolarHBondContact O-CG 3.29Å; M11-Q15 PolarHBondContact O-N 3.48Å; M11-Q15 VanDerWaalsContact O-N 3.13Å; M11-Q15 PolarHBondContact O-NE2 2.86Å; R13-Q15 VanDerWaalsContact C-N 3.34Å; R13-Q15 PolarHBondContact O-N 3.39Å |
| 16 | N | 40.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 86.1 Ų | 86.1 | 75% | 0.754 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -14.4 | 177.3 | -77.7 | -89 | 0 | 0 | 0 | 113.3 | C12 R13 R14 | C12-N16 PolarHBondContact O-ND2 3.18Å; R13-N16 PolarHBondContact O-N 3.3Å; R14-N16 PolarHBondContact O-N 3.25Å |
| 17 | E | 41 | Very low | 37.9 | Very low | 146 Ų | 146 | 88.2 Ų | 88.2 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -98.9 | 123.9 | 170.9 | -68.1 | -179.9 | 90.6 | 0 | 0 | 106.4 | R14 V19 | R14-E17 PolarHBondContact O-N 3.06Å; E17-V19 PolarHBondContact O-N 3.35Å |
| 18 | D | 30.4 | Very low | 37.7 | Very low | 164 Ų | 164 | 94.5 Ų | 94.5 | 88% | 0.877 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -36.2 | 124.8 | 169.4 | -114.7 | -102.2 | 0 | 0 | 0 | 110 | ||
| 19 | V | 36.2 | Very low | 37.1 | Very low | 119 Ų | 119 | 98.9 Ų | 98.9 | 72% | 0.721 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 107.8 | 125.1 | 166.7 | -178 | 0 | 0 | 0 | 0 | 118.2 | E17 | E17-V19 PolarHBondContact O-N 3.35Š|
| 20 | T | 33.3 | Very low | 36.7 | Very low | 78 Ų | 78 | 100 Ų | 100 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | trans | 69.5 | 102.5 | 164.4 | -40.5 | 0 | 0 | 0 | 0 | 118.5 | S22 | T20-S22 PolarHBondContact O-N 3.23Š| ||
| 21 | V | 31.5 | Very low | 36.3 | Very low | 44 Ų | 44 | 104.3 Ų | 104.3 | 27% | 0.267 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 108.2 | 161.5 | -176.4 | 0 | 0 | 0 | 0 | 108 | V23 V60 S61 | V21-V23 HydrophobicContact CG1-CG2 4.18Å; V21-V60 HydrophobicContact CB-CG1 3.95Å; V21-V60 HydrophobicContact CG1-CG1 4.12Å; V21-S61 CarbonylContact O-C 3.5Å; V21-S61 WeakPolarHBondContact O-CA 3.09Å; V21-S61 PolarHBondContact O-N 3.08Å |
| 22 | S | 33.6 | Very low | 35.7 | Very low | 74 Ų | 74 | 107.7 Ų | 107.7 | 52% | 0.517 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 107.3 | 166.8 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | M11 T20 | M11-S22 VanDerWaalsContact CE-O 3.23Å; M11-S22 WeakPolarHBondContact CE-O 3.46Å; T20-S22 PolarHBondContact O-N 3.23Å |
| 23 | V | 35.4 | Very low | 35.5 | Very low | 42 Ų | 42 | 108.5 Ų | 108.5 | 26% | 0.255 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79 | 121.1 | 170.8 | -179.5 | 0 | 0 | 0 | 0 | 108 | V21 S61 V62 A63 | V21-V23 HydrophobicContact CG1-CG2 4.18Å; V23-S61 PolarHBondContact N-O 3.26Å; V23-V62 HydrophobicContact CB-CB 4.4Å; V23-V62 HydrophobicContact CB-CG1 4.13Å; V23-V62 HydrophobicContact CG1-CG1 4.27Å; V23-V62 HydrophobicContact CG2-CB 4.1Å; V23-V62 HydrophobicContact CG2-CG1 4.02Å; V23-V62 HydrophobicContact CG2-CG2 3.82Å; V23-A63 WeakPolarHBondContact O-CB 3.13Å; V23-A63 PolarHBondContact O-N 3.13Å |
| 24 | A | 35.1 | Very low | 34.9 | Very low | 53 Ų | 53 | 107.7 Ų | 107.7 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -101.3 | 130.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V7 | V7-A24 HydrophobicContact CG1-CB 3.41Å; V7-A24 VanDerWaalsContact CG1-CB 3.41Å |
| 25 | T | 36.3 | Very low | 34.6 | Very low | 43 Ų | 43 | 107.3 Ų | 107.3 | 26% | 0.264 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 132.5 | 179.6 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | A63 | T25-A63 HydrophobicContact CG2-CB 3.91Å; T25-A63 WeakPolarHBondContact CG2-O 3.49Å |
| 26 | C | 35.1 | Very low | 34.1 | Very low | 56 Ų | 56 | 108.3 Ų | 108.3 | 38% | 0.378 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -101.6 | 122.1 | 157 | -85.4 | 0 | 0 | 0 | 0 | 109 | C4 Y28 | C4-C26 HydrophobicContact CB-CB 4.4Å; C4-C26 WeakPolarHBondContact CB-SG 3.19Å; C4-C26 WeakPolarHBondContact SG-CB 3.37Å; C4-C26 CovalentContact SG-SG 2.02Å; C4-C26 PolarHBondContact SG-SG 3.2Å; C26-Y28 PolarHBondContact O-N 3.26Å; C26-Y28 VanDerWaalsContact O-N 3.16Å |
| 27 | E | 33.7 | Very low | 33.8 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | trans | -57.3 | 112.3 | 167.3 | -73.6 | -179.5 | 79 | 0 | 0 | 110.1 | ||||
| 28 | Y | 33.1 | Very low | 33.3 | Very low | 173 Ų | 173 | 112.5 Ų | 112.5 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | trans | -143 | 91.3 | 153.1 | -116.2 | -85 | 0 | 0 | 0 | 109 | C26 G30 | C26-Y28 PolarHBondContact O-N 3.26Å; C26-Y28 VanDerWaalsContact O-N 3.16Å; Y28-G30 PolarHBondContact O-N 3.18Å | ||
| 29 | V | 29.6 | Very low | 33.4 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 87% | 0.873 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 116.2 | 166.6 | 177.6 | 0 | 0 | 0 | 0 | 107.5 | ||
| 30 | G | 31.2 | Very low | 33.3 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 74% | 0.742 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.4 | 27.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | Y28 | Y28-G30 PolarHBondContact O-N 3.18Š|
| 31 | K | 33.2 | Very low | 33.4 | Very low | 178 Ų | 178 | 119.3 Ų | 119.3 | 77% | 0.774 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -132.6 | 143.9 | 164.4 | -70.6 | -155.1 | 177.7 | -164.2 | 0 | 113.2 | ||
| 32 | E | 32.3 | Very low | 33.6 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | trans | -57.6 | 141.3 | -166.5 | -65.3 | 177.1 | 116.3 | 0 | 0 | 114.3 | W34 | E32-W34 VanDerWaalsContact C-N 3.29Å; E32-W34 HydrophobicContact CB-CD2 3.89Å; E32-W34 HydrophobicContact CB-CE3 3.89Å; E32-W34 HydrophobicContact CB-CH2 3.56Å; E32-W34 HydrophobicContact CB-CZ2 3.46Å; E32-W34 VanDerWaalsContact CB-CZ2 3.46Å; E32-W34 HydrophobicContact CB-CZ3 3.72Å; E32-W34 HydrophobicContact CG-CH2 3.71Å; E32-W34 HydrophobicContact CG-CZ2 3.82Å; E32-W34 HydrophobicContact CG-CZ3 4.17Å; E32-W34 PolarHBondContact O-N 2.75Å; E32-W34 VanDerWaalsContact O-N 3.12Å; E32-W34 WeakPolarHBondContact OE1-CH2 3.02Å; E32-W34 WeakPolarHBondContact OE1-CZ2 3.5Å; E32-W34 WeakPolarHBondContact OE2-CZ2 3.28Å | ||
| 33 | P | 37.1 | Very low | 33.8 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -10.7 | -163.6 | 23 | -32.6 | 0 | 0 | 0 | 116.3 | ||
| 34 | W | 30.3 | Very low | 33.9 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -27 | -174.7 | 50.9 | 82.5 | 0 | 0 | 0 | 114.8 | E32 R37 | E32-W34 VanDerWaalsContact C-N 3.29Å; E32-W34 HydrophobicContact CB-CD2 3.89Å; E32-W34 HydrophobicContact CB-CE3 3.89Å; E32-W34 HydrophobicContact CB-CH2 3.56Å; E32-W34 HydrophobicContact CB-CZ2 3.46Å; E32-W34 VanDerWaalsContact CB-CZ2 3.46Å; E32-W34 HydrophobicContact CB-CZ3 3.72Å; E32-W34 HydrophobicContact CG-CH2 3.71Å; E32-W34 HydrophobicContact CG-CZ2 3.82Å; E32-W34 HydrophobicContact CG-CZ3 4.17Å; E32-W34 PolarHBondContact O-N 2.75Å; E32-W34 VanDerWaalsContact O-N 3.12Å; E32-W34 WeakPolarHBondContact OE1-CH2 3.02Å; E32-W34 WeakPolarHBondContact OE1-CZ2 3.5Å; E32-W34 WeakPolarHBondContact OE2-CZ2 3.28Å; W34-R37 WeakPolarHBondContact O-CB 3.47Å |
| 35 | E | 35.3 | Very low | 33.9 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -26.2 | -178.6 | -71.1 | -150.2 | 86.3 | 0 | 0 | 112.6 | R37 | E35-R37 VanDerWaalsContact C-N 3.33Š|
| 36 | Y | 32.6 | Very low | 34 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 42% | 0.416 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -77.2 | -19.1 | 176.9 | -113 | -95.2 | 0 | 0 | 0 | 113.5 | K38 R39 V40 | Y36-K38 PolarHBondContact O-N 3.37Å; Y36-K38 VanDerWaalsContact O-N 3.16Å; Y36-R39 PolarHBondContact O-N 3.31Å; Y36-V40 PolarHBondContact O-N 3.25Å |
| 37 | R | 32.8 | Very low | 34 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 70% | 0.698 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -62.4 | -19.8 | 175.3 | -163.3 | 174.8 | 173.2 | 169.7 | -1.7 | 113.1 | W34 E35 | W34-R37 WeakPolarHBondContact O-CB 3.47Å; E35-R37 VanDerWaalsContact C-N 3.33Å |
| 38 | K | 30.4 | Very low | 34.2 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 83% | 0.83 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -86.4 | -20.8 | 173.8 | -84.5 | -177.7 | 177.1 | 176.9 | 0 | 114.3 | Y36 | Y36-K38 PolarHBondContact O-N 3.37Å; Y36-K38 VanDerWaalsContact O-N 3.16Å |
| 39 | R | 32.8 | Very low | 34.3 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -21.2 | -174.1 | -69.8 | -166.3 | -171 | -139.8 | 4.6 | 113.9 | Y36 R41 | Y36-R39 PolarHBondContact O-N 3.31Å; R39-R41 PolarHBondContact O-N 3.47Å |
| 40 | V | 34.5 | Very low | 34.8 | Very low | 90 Ų | 90 | 126 Ų | 126 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -69.8 | 93.1 | 157.8 | -176.9 | 0 | 0 | 0 | 0 | 105.6 | Y36 R42 | Y36-V40 PolarHBondContact O-N 3.25Å; V40-R42 PolarHBondContact O-N 3.16Å |
| 41 | R | 36.2 | Very low | 35.4 | Very low | 217 Ų | 217 | 126.7 Ų | 126.7 | 82% | 0.819 | 58% | 0.579 | S | S | * | * | trans | -56.3 | 94.3 | 157.9 | -102 | -177.3 | 173.9 | 178.2 | -1 | 104.6 | R39 C43 | R39-R41 PolarHBondContact O-N 3.47Å; R41-C43 PolarHBondContact O-N 3.18Å | ||
| 42 | R | 35.5 | Very low | 35.8 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | trans | -50.3 | 138.9 | 158.9 | -75.3 | 178.8 | 170.8 | -173.8 | -6.4 | 104 | V40 D44 | V40-R42 PolarHBondContact O-N 3.16Å; R42-D44 WeakPolarHBondContact CB-OD2 3.36Å; R42-D44 PolarHBondContact O-N 3.11Å | ||
| 43 | C | 37.6 | Very low | 36.3 | Very low | 47 Ų | 47 | 127.2 Ų | 127.2 | 32% | 0.318 | 57% | 0.571 | S | S | . | * | trans | -59.6 | 84.5 | 153.1 | -65.5 | 0 | 0 | 0 | 0 | 104.1 | R41 D45 I46 | R41-C43 PolarHBondContact O-N 3.18Å; C43-D45 PolarHBondContact O-N 3.19Å; C43-I46 HydrophobicContact CB-CD1 3.68Å; C43-I46 HydrophobicContact CB-CG1 3.79Å; C43-I46 PolarHBondContact O-N 3.43Å | ||
| 44 | D | 36.9 | Very low | 36.6 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -3.5 | -161.4 | -121.1 | -94.2 | 0 | 0 | 0 | 111.5 | R42 | R42-D44 WeakPolarHBondContact CB-OD2 3.36Å; R42-D44 PolarHBondContact O-N 3.11Å |
| 45 | D | 35.8 | Very low | 37.3 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 75% | 0.754 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 1.5 | 177.9 | -89.3 | -78.7 | 0 | 0 | 0 | 115.3 | C43 N47 M50 | C43-D45 PolarHBondContact O-N 3.19Å; D45-N47 PolarHBondContact O-N 3.35Å; D45-M50 WeakPolarHBondContact O-CE 3.41Å |
| 46 | I | 38.2 | Very low | 37.6 | Very low | 71 Ų | 71 | 122 Ų | 122 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | trans | -78.6 | 90.1 | 174.3 | -54.9 | -177.1 | 0 | 0 | 0 | 109.1 | C43 M50 W51 | C43-I46 HydrophobicContact CB-CD1 3.68Å; C43-I46 HydrophobicContact CB-CG1 3.79Å; C43-I46 PolarHBondContact O-N 3.43Å; I46-M50 HydrophobicContact CG2-CB 4.44Å; I46-W51 HydrophobicContact CG2-CB 4Å | ||
| 47 | N | 35 | Very low | 37.8 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 43% | 0.433 | 58% | 0.581 | S | S | . | * | trans | -50.1 | 132 | 168.4 | -178.5 | -13.8 | 0 | 0 | 0 | 108.9 | D45 E49 M50 W51 | D45-N47 PolarHBondContact O-N 3.35Å; N47-E49 PolarHBondContact O-N 2.93Å; N47-E49 PolarHBondContact OD1-N 2.96Å; N47-M50 HydrophobicContact CB-CB 4.44Å; N47-M50 HydrophobicContact CB-CE 4.01Å; N47-M50 HydrophobicContact CB-CG 4.31Å; N47-M50 WeakPolarHBondContact O-CA 3.36Å; N47-M50 WeakPolarHBondContact O-CB 3.49Å; N47-M50 PolarHBondContact O-N 3.35Å; N47-W51 PolarHBondContact O-N 2.92Å | ||
| 48 | P | 38.5 | Very low | 38.1 | Very low | 88 Ų | 88 | 113.5 Ų | 113.5 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -52.2 | -21.6 | 175.3 | 19.1 | -33.2 | 0 | 0 | 0 | 113.6 | R52 | P48-R52 PolarHBondContact O-N 3.41Å |
| 49 | E | 34.6 | Very low | 38.5 | Very low | 99 Ų | 99 | 108.5 Ų | 108.5 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.8 | -39.6 | 170.6 | -159.9 | 179 | 124.9 | 0 | 0 | 113.6 | N47 W51 R52 R53 | N47-E49 PolarHBondContact O-N 2.93Å; N47-E49 PolarHBondContact OD1-N 2.96Å; E49-W51 VanDerWaalsContact C-N 3.33Å; E49-R52 PolarHBondContact O-N 3.16Å; E49-R53 WeakPolarHBondContact O-CG 3.23Å; E49-R53 PolarHBondContact O-N 3.21Å; E49-R53 IonicContact OE1-CZ 3.39Å; E49-R53 IonicContact OE1-NE 3.2Å; E49-R53 PolarHBondContact OE1-NE 3.35Å; E49-R53 IonicContact OE1-NH2 2.78Å; E49-R53 PolarHBondContact OE1-NH2 3.12Å |
| 50 | M | 39.3 | Very low | 38.8 | Very low | 87 Ų | 87 | 99.5 Ų | 99.5 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 173.1 | -75.7 | -162.5 | -74.5 | 0 | 0 | 111.2 | D45 I46 N47 R52 R53 Q54 | D45-M50 WeakPolarHBondContact O-CE 3.41Å; I46-M50 HydrophobicContact CG2-CB 4.44Å; N47-M50 HydrophobicContact CB-CB 4.44Å; N47-M50 HydrophobicContact CB-CE 4.01Å; N47-M50 HydrophobicContact CB-CG 4.31Å; N47-M50 WeakPolarHBondContact O-CA 3.36Å; N47-M50 WeakPolarHBondContact O-CB 3.49Å; N47-M50 PolarHBondContact O-N 3.35Å; M50-R52 VanDerWaalsContact C-N 3.33Å; M50-R52 PolarHBondContact O-N 3.48Å; M50-R53 PolarHBondContact O-N 2.9Å; M50-Q54 PolarHBondContact O-N 2.98Å |
| 51 | W | 45 | Very low | 38.9 | Very low | 85 Ų | 85 | 96 Ų | 96 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 173.5 | -168.6 | 84.3 | 0 | 0 | 0 | 112 | I46 N47 E49 N55 V80 | I46-W51 HydrophobicContact CG2-CB 4Å; N47-W51 PolarHBondContact O-N 2.92Å; E49-W51 VanDerWaalsContact C-N 3.33Å; W51-N55 PolarHBondContact NE1-ND2 3.02Å; W51-N55 VanDerWaalsContact O-CB 3.29Å; W51-N55 WeakPolarHBondContact O-CB 3.49Å; W51-N55 PolarHBondContact O-N 2.98Å; W51-N55 PolarHBondContact O-ND2 3.2Å; W51-V80 HydrophobicContact CH2-CB 4.26Å; W51-V80 HydrophobicContact CH2-CG1 4.17Å; W51-V80 HydrophobicContact CH2-CG2 4.03Å; W51-V80 HydrophobicContact CZ3-CG2 3.93Å |
| 52 | R | 42.2 | Very low | 39 | Very low | 134 Ų | 134 | 85.9 Ų | 85.9 | 51% | 0.506 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.7 | -35 | 176.2 | -85.8 | -153.3 | -86.3 | 178.2 | -4 | 114 | P48 E49 M50 | P48-R52 PolarHBondContact O-N 3.41Å; E49-R52 PolarHBondContact O-N 3.16Å; M50-R52 VanDerWaalsContact C-N 3.33Å; M50-R52 PolarHBondContact O-N 3.48Å |
| 53 | R | 41.5 | Very low | 39 | Very low | 182 Ų | 182 | 78.8 Ų | 78.8 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -76 | -34.8 | -178.7 | -72.7 | -177.6 | -172.3 | -129.7 | 7.9 | 112.9 | E49 M50 | E49-R53 WeakPolarHBondContact O-CG 3.23Å; E49-R53 PolarHBondContact O-N 3.21Å; E49-R53 IonicContact OE1-CZ 3.39Å; E49-R53 IonicContact OE1-NE 3.2Å; E49-R53 PolarHBondContact OE1-NE 3.35Å; E49-R53 IonicContact OE1-NH2 2.78Å; E49-R53 PolarHBondContact OE1-NH2 3.12Å; M50-R53 PolarHBondContact O-N 2.9Å |
| 54 | Q | 44.1 | Very low | 38.9 | Very low | 150 Ų | 150 | 78.6 Ų | 78.6 | 70% | 0.701 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -86.4 | -24.9 | 180 | -69.7 | -176 | 4.4 | 0 | 0 | 113.5 | M50 | M50-Q54 PolarHBondContact O-N 2.98Å |
| 55 | N | 43.7 | Very low | 38.7 | Very low | 20 Ų | 20 | 75.5 Ų | 75.5 | 11% | 0.107 | 42% | 0.422 | C | S | . | . | trans | -95.1 | 14 | 179.4 | -67.5 | -70.7 | 0 | 0 | 0 | 114.8 | W51 G57 A58 | W51-N55 PolarHBondContact NE1-ND2 3.02Å; W51-N55 VanDerWaalsContact O-CB 3.29Å; W51-N55 WeakPolarHBondContact O-CB 3.49Å; W51-N55 PolarHBondContact O-N 2.98Å; W51-N55 PolarHBondContact O-ND2 3.2Å; N55-G57 PolarHBondContact O-N 3.09Å; N55-A58 HydrophobicContact CB-CB 4.2Å; N55-A58 PolarHBondContact O-N 2.89Å; N55-A58 VanDerWaalsContact OD1-CB 3.28Å; N55-A58 WeakPolarHBondContact OD1-CB 3.28Å | ||
| 56 | A | 42.6 | Very low | 38.8 | Very low | 91 Ų | 91 | 77.8 Ų | 77.8 | 75% | 0.752 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 2.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 57 | G | 37.1 | Very low | 38.7 | Very low | 79 Ų | 79 | 81.7 Ų | 81.7 | 81% | 0.814 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.2 | 17 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114 | N55 | N55-G57 PolarHBondContact O-N 3.09Š|
| 58 | A | 38.9 | Very low | 38.8 | Very low | 35 Ų | 35 | 80.8 Ų | 80.8 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | trans | -99.9 | 127.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N55 V60 | N55-A58 HydrophobicContact CB-CB 4.2Å; N55-A58 PolarHBondContact O-N 2.89Å; N55-A58 VanDerWaalsContact OD1-CB 3.28Å; N55-A58 WeakPolarHBondContact OD1-CB 3.28Å; A58-V60 PolarHBondContact O-N 3.11Å | ||
| 59 | T | 38.3 | Very low | 38.7 | Very low | 86 Ų | 86 | 77.7 Ų | 77.7 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | trans | -73.9 | 115.4 | 168.2 | -52.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 60 | V | 38.7 | Very low | 38.8 | Very low | 7 Ų | 7 | 80 Ų | 80 | 4% | 0.042 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.4 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | V21 A58 V62 V80 M82 S83 | V21-V60 HydrophobicContact CB-CG1 3.95Å; V21-V60 HydrophobicContact CG1-CG1 4.12Å; A58-V60 PolarHBondContact O-N 3.11Å; V60-V62 HydrophobicContact CG1-CG2 3.76Å; V60-V80 HydrophobicContact CG2-CG1 4.44Å; V60-M82 HydrophobicContact CB-CE 4.33Å; V60-M82 HydrophobicContact CB-CG 4.11Å; V60-M82 HydrophobicContact CG1-CE 3.9Å; V60-M82 WeakPolarHBondContact O-CA 3.47Å; V60-S83 PolarHBondContact O-N 3.16Å; V60-S83 VanDerWaalsContact O-N 3.08Å |
| 61 | S | 37.2 | Very low | 38.8 | Very low | 18 Ų | 18 | 82 Ų | 82 | 13% | 0.126 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 102.4 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 109.5 | V21 V23 S83 | V21-S61 CarbonylContact O-C 3.5Å; V21-S61 WeakPolarHBondContact O-CA 3.09Å; V21-S61 PolarHBondContact O-N 3.08Å; V23-S61 PolarHBondContact N-O 3.26Å; S61-S83 VanDerWaalsContact CA-O 3.28Å; S61-S83 WeakPolarHBondContact CA-O 3.34Å |
| 62 | V | 38.3 | Very low | 38.6 | Very low | 3 Ų | 3 | 81.6 Ų | 81.6 | 2% | 0.018 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 109.2 | 176 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | V23 V60 A64 M72 M82 S83 V84 | V23-V62 HydrophobicContact CB-CB 4.4Å; V23-V62 HydrophobicContact CB-CG1 4.13Å; V23-V62 HydrophobicContact CG1-CG1 4.27Å; V23-V62 HydrophobicContact CG2-CB 4.1Å; V23-V62 HydrophobicContact CG2-CG1 4.02Å; V23-V62 HydrophobicContact CG2-CG2 3.82Å; V60-V62 HydrophobicContact CG1-CG2 3.76Å; V62-A64 PolarHBondContact O-N 2.98Å; V62-A64 VanDerWaalsContact O-N 3.13Å; V62-M72 HydrophobicContact CG1-SD 4.07Å; V62-M72 HydrophobicContact CG2-SD 3.88Å; V62-M82 HydrophobicContact CB-CE 4.2Å; V62-M82 HydrophobicContact CG2-CE 3.17Å; V62-S83 PolarHBondContact N-O 3.37Å; V62-S83 VanDerWaalsContact N-O 3.11Å; V62-V84 VanDerWaalsContact O-CA 3.31Å; V62-V84 WeakPolarHBondContact O-CA 2.87Å; V62-V84 WeakPolarHBondContact O-CG1 3.39Å |
| 63 | A | 35.4 | Very low | 38.4 | Very low | 13 Ų | 13 | 82.3 Ų | 82.3 | 11% | 0.107 | 44% | 0.442 | C | S | . | . | trans | -70.7 | 108.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108 | V23 T25 C65 Q85 | V23-A63 WeakPolarHBondContact O-CB 3.13Å; V23-A63 PolarHBondContact O-N 3.13Å; T25-A63 HydrophobicContact CG2-CB 3.91Å; T25-A63 WeakPolarHBondContact CG2-O 3.49Å; A63-C65 PolarHBondContact O-N 3.48Å; A63-Q85 WeakPolarHBondContact CA-O 3.46Å | ||
| 64 | A | 34.9 | Very low | 38.3 | Very low | 42 Ų | 42 | 81 Ų | 81 | 35% | 0.347 | 44% | 0.444 | S | S | . | . | trans | -72.9 | 117 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111 | V62 V84 | V62-A64 PolarHBondContact O-N 2.98Å; V62-A64 VanDerWaalsContact O-N 3.13Å; A64-V84 HydrophobicContact CB-CG1 3.54Å | ||
| 65 | C | 34.1 | Very low | 38.3 | Very low | 73 Ų | 73 | 81.9 Ų | 81.9 | 49% | 0.493 | 44% | 0.442 | S | S | . | . | trans | -71.9 | 125.1 | 140.6 | -165.3 | 0 | 0 | 0 | 0 | 105.8 | A63 Y67 V68 G69 | A63-C65 PolarHBondContact O-N 3.48Å; C65-Y67 PolarHBondContact O-N 3.27Å; C65-V68 HydrophobicContact CB-CG2 4.31Å; C65-V68 PolarHBondContact O-N 3.07Å; C65-G69 PolarHBondContact O-N 2.78Å; C65-G69 VanDerWaalsContact O-N 3.11Å | ||
| 66 | E | 36.7 | Very low | 38.3 | Very low | 189 Ų | 189 | 87.4 Ų | 87.4 | 88% | 0.883 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -23.8 | -172.5 | -84.6 | -178.3 | 80.2 | 0 | 0 | 114.5 | ||
| 67 | Y | 37 | Very low | 38.3 | Very low | 154 Ų | 154 | 90.7 Ų | 90.7 | 60% | 0.604 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -40.6 | 177.9 | -140.4 | -96.7 | 0 | 0 | 0 | 114.3 | C65 G69 K70 | C65-Y67 PolarHBondContact O-N 3.27Å; Y67-G69 VanDerWaalsContact C-N 3.32Å; Y67-K70 PolarHBondContact O-N 3.47Å |
| 68 | V | 37.8 | Very low | 38.7 | Very low | 62 Ų | 62 | 95.3 Ų | 95.3 | 38% | 0.376 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.6 | -33.4 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | C65 K70 M72 | C65-V68 HydrophobicContact CB-CG2 4.31Å; C65-V68 PolarHBondContact O-N 3.07Å; V68-K70 PolarHBondContact O-N 3.5Å; V68-M72 HydrophobicContact CG1-CE 4.12Å; V68-M72 HydrophobicContact CG1-CG 4.32Å; V68-M72 HydrophobicContact CG1-SD 3.94Å; V68-M72 WeakPolarHBondContact O-CB 3.37Å; V68-M72 PolarHBondContact O-N 2.87Å; V68-M72 VanDerWaalsContact O-N 3.09Å |
| 69 | G | 34.4 | Very low | 38.7 | Very low | 22 Ų | 22 | 97 Ų | 97 | 23% | 0.227 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.5 | -25.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C65 Y67 W73 | C65-G69 PolarHBondContact O-N 2.78Å; C65-G69 VanDerWaalsContact O-N 3.11Å; Y67-G69 VanDerWaalsContact C-N 3.32Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.41Å; G69-W73 PolarHBondContact O-N 2.93Å |
| 70 | K | 37 | Very low | 38.8 | Very low | 148 Ų | 148 | 94.5 Ų | 94.5 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -86.3 | -44.4 | -176.7 | -152.2 | 178.2 | -174.5 | -178.1 | 0 | 113.1 | Y67 V68 W73 E74 | Y67-K70 PolarHBondContact O-N 3.47Å; V68-K70 PolarHBondContact O-N 3.5Å; K70-W73 WeakPolarHBondContact O-CA 2.97Å; K70-W73 WeakPolarHBondContact O-CB 3Å; K70-W73 PolarHBondContact O-N 3.04Å; K70-W73 VanDerWaalsContact O-N 3.16Å; K70-E74 PolarHBondContact O-N 3.38Å |
| 71 | E | 39.7 | Very low | 38.8 | Very low | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.7 | -35 | 175.4 | -71.1 | -171.2 | 94.1 | 0 | 0 | 111.9 | W73 E74 Y75 | E71-W73 PolarHBondContact O-N 3.34Å; E71-E74 PolarHBondContact O-N 3.4Å; E71-Y75 PolarHBondContact O-N 2.02Å |
| 72 | M | 41.2 | Very low | 38.9 | Very low | 77 Ų | 77 | 101.3 Ų | 101.3 | 38% | 0.379 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.2 | -24.9 | 170.8 | -73 | -174 | 170.1 | 0 | 0 | 112.1 | V62 V68 E74 Y75 R76 M82 | V62-M72 HydrophobicContact CG1-SD 4.07Å; V62-M72 HydrophobicContact CG2-SD 3.88Å; V68-M72 HydrophobicContact CG1-CE 4.12Å; V68-M72 HydrophobicContact CG1-CG 4.32Å; V68-M72 HydrophobicContact CG1-SD 3.94Å; V68-M72 WeakPolarHBondContact O-CB 3.37Å; V68-M72 PolarHBondContact O-N 2.87Å; V68-M72 VanDerWaalsContact O-N 3.09Å; M72-E74 VanDerWaalsContact C-N 3.34Å; M72-Y75 PolarHBondContact O-N 3.35Å; M72-R76 PolarHBondContact O-N 3.11Å; M72-M82 HydrophobicContact CB-CE 4.44Å; M72-M82 HydrophobicContact SD-CE 3.82Å |
| 73 | W | 37.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 104 Ų | 104 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -39.6 | 171.2 | -147.5 | 92.5 | 0 | 0 | 0 | 112 | G69 K70 E71 Y75 R76 | G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.41Å; G69-W73 PolarHBondContact O-N 2.93Å; K70-W73 WeakPolarHBondContact O-CA 2.97Å; K70-W73 WeakPolarHBondContact O-CB 3Å; K70-W73 PolarHBondContact O-N 3.04Å; K70-W73 VanDerWaalsContact O-N 3.16Å; E71-W73 PolarHBondContact O-N 3.34Å; W73-Y75 PolarHBondContact O-N 2.79Å; W73-R76 VanDerWaalsContact CD1-NE 3.28Å; W73-R76 WeakPolarHBondContact O-CB 3.38Å; W73-R76 WeakPolarHBondContact O-CD 3.31Å; W73-R76 WeakPolarHBondContact O-CG 3.06Å; W73-R76 PolarHBondContact O-N 3.28Å |
| 74 | E | 41 | Very low | 39.2 | Very low | 155 Ų | 155 | 107.3 Ų | 107.3 | 72% | 0.724 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.4 | -22.2 | 178.8 | -69.7 | -173.3 | 84.8 | 0 | 0 | 112.3 | K70 E71 M72 R76 | K70-E74 PolarHBondContact O-N 3.38Å; E71-E74 PolarHBondContact O-N 3.4Å; M72-E74 VanDerWaalsContact C-N 3.34Å; E74-R76 VanDerWaalsContact C-N 3.29Å; E74-R76 PolarHBondContact O-N 2.97Å |
| 75 | Y | 43 | Very low | 39.4 | Very low | 168 Ų | 168 | 109 Ų | 109 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -75.6 | -9.4 | 168.3 | -99.8 | -95.7 | 0 | 0 | 0 | 114.2 | E71 M72 W73 N77 | E71-Y75 PolarHBondContact O-N 2.02Å; M72-Y75 PolarHBondContact O-N 3.35Å; W73-Y75 PolarHBondContact O-N 2.79Å; Y75-N77 PolarHBondContact O-N 3.13Å |
| 76 | R | 44.2 | Very low | 39.3 | Very low | 137 Ų | 137 | 107.7 Ų | 107.7 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -57.1 | -21.1 | -175.1 | -83.6 | 176.3 | 163.1 | -159 | -4 | 116 | M72 W73 E74 R78 | M72-R76 PolarHBondContact O-N 3.11Å; W73-R76 VanDerWaalsContact CD1-NE 3.28Å; W73-R76 WeakPolarHBondContact O-CB 3.38Å; W73-R76 WeakPolarHBondContact O-CD 3.31Å; W73-R76 WeakPolarHBondContact O-CG 3.06Å; W73-R76 PolarHBondContact O-N 3.28Å; E74-R76 VanDerWaalsContact C-N 3.29Å; E74-R76 PolarHBondContact O-N 2.97Å; R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 3.48Å |
| 77 | N | 41.2 | Very low | 39.2 | Very low | 160 Ų | 160 | 107.2 Ų | 107.2 | 86% | 0.856 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -85.5 | 14.3 | -169.9 | -95.4 | -51 | 0 | 0 | 0 | 115.4 | Y75 | Y75-N77 PolarHBondContact O-N 3.13Š|
| 78 | R | 45.4 | Very low | 39.1 | Very low | 175 Ų | 175 | 108.5 Ų | 108.5 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -121 | 18.3 | -175.8 | -71.6 | -167.6 | 174.8 | 178.8 | 0.4 | 116.5 | R76 | R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 3.48Å |
| 79 | G | 39.5 | Very low | 39.1 | Very low | 72 Ų | 72 | 111.1 Ų | 111.1 | 74% | 0.742 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 94.9 | 32.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 80 | V | 40 | Very low | 39.3 | Very low | 32 Ų | 32 | 114.7 Ų | 114.7 | 19% | 0.194 | 57% | 0.571 | C | S | . | * | trans | -122.9 | 124.9 | 174 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | W51 V60 M82 | W51-V80 HydrophobicContact CH2-CB 4.26Å; W51-V80 HydrophobicContact CH2-CG1 4.17Å; W51-V80 HydrophobicContact CH2-CG2 4.03Å; W51-V80 HydrophobicContact CZ3-CG2 3.93Å; V60-V80 HydrophobicContact CG2-CG1 4.44Å; V80-M82 HydrophobicContact CG1-CG 4.13Å | ||
| 81 | T | 39.8 | Very low | 38.8 | Very low | 119 Ų | 119 | 112.9 Ų | 112.9 | 73% | 0.73 | 57% | 0.572 | S | S | * | * | trans | -83.3 | 118 | 174 | -45.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 82 | M | 38.1 | Very low | 38.6 | Very low | 50 Ų | 50 | 116.2 Ų | 116.2 | 25% | 0.246 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.7 | 176.4 | -58.2 | 178 | 59.8 | 0 | 0 | 109.4 | V60 V62 M72 V80 | V60-M82 HydrophobicContact CB-CE 4.33Å; V60-M82 HydrophobicContact CB-CG 4.11Å; V60-M82 HydrophobicContact CG1-CE 3.9Å; V60-M82 WeakPolarHBondContact O-CA 3.47Å; V62-M82 HydrophobicContact CB-CE 4.2Å; V62-M82 HydrophobicContact CG2-CE 3.17Å; M72-M82 HydrophobicContact CB-CE 4.44Å; M72-M82 HydrophobicContact SD-CE 3.82Å; V80-M82 HydrophobicContact CG1-CG 4.13Å |
| 83 | S | 40 | Very low | 38.5 | Very low | 59 Ų | 59 | 118.2 Ų | 118.2 | 41% | 0.413 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.5 | 170.9 | -70.2 | 0 | 0 | 0 | 0 | 108.3 | V60 S61 V62 | V60-S83 PolarHBondContact O-N 3.16Å; V60-S83 VanDerWaalsContact O-N 3.08Å; S61-S83 VanDerWaalsContact CA-O 3.28Å; S61-S83 WeakPolarHBondContact CA-O 3.34Å; V62-S83 PolarHBondContact N-O 3.37Å; V62-S83 VanDerWaalsContact N-O 3.11Å |
| 84 | V | 39.9 | Very low | 38.5 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | trans | -96.1 | 109.7 | 172.3 | 174 | 0 | 0 | 0 | 0 | 106.6 | V62 A64 | V62-V84 VanDerWaalsContact O-CA 3.31Å; V62-V84 WeakPolarHBondContact O-CA 2.87Å; V62-V84 WeakPolarHBondContact O-CG1 3.39Å; A64-V84 HydrophobicContact CB-CG1 3.54Å | ||
| 85 | Q | 39.4 | Very low | 38.4 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 37% | 0.369 | 61% | 0.614 | S | S | . | * | trans | -88.3 | 123.7 | 169.2 | -81 | -179.3 | -51.6 | 0 | 0 | 108.3 | A63 | A63-Q85 WeakPolarHBondContact CA-O 3.46Š| ||
| 86 | G | 33.3 | Very low | 38.1 | Very low | 44 Ų | 44 | 111.4 Ų | 111.4 | 45% | 0.454 | 61% | 0.611 | S | S | . | * | trans | -63.8 | 149.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E88 D89 | G86-E88 PolarHBondContact O-N 2.98Å; G86-D89 WeakPolarHBondContact O-CB 3.47Å; G86-D89 PolarHBondContact O-N 2.99Å | ||
| 87 | W | 33.4 | Very low | 37.7 | Very low | 179 Ų | 179 | 109.8 Ų | 109.8 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -51.7 | -23 | 174 | 164.9 | -85.6 | 0 | 0 | 0 | 113.3 | D89 | W87-D89 VanDerWaalsContact C-N 3.26Å; W87-D89 PolarHBondContact O-N 3.39Å |
| 88 | E | 35.5 | Very low | 37.5 | Very low | 182 Ų | 182 | 106.4 Ų | 106.4 | 85% | 0.85 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -74 | -12.8 | 178.8 | -57.3 | -169.5 | 99.1 | 0 | 0 | 114.1 | G86 | G86-E88 PolarHBondContact O-N 2.98Š|
| 89 | D | 38.4 | Very low | 36.9 | Very low | 116 Ų | 116 | 101.5 Ų | 101.5 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -98.7 | -1.2 | -175 | -136.9 | -108.9 | 0 | 0 | 0 | 113.1 | G86 W87 | G86-D89 WeakPolarHBondContact O-CB 3.47Å; G86-D89 PolarHBondContact O-N 2.99Å; W87-D89 VanDerWaalsContact C-N 3.26Å; W87-D89 PolarHBondContact O-N 3.39Å |
| 90 | V | 36.9 | Very low | 36.7 | Very low | 97 Ų | 97 | 103.8 Ų | 103.8 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -109.3 | 11.3 | -169.2 | -132.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 91 | T | 27.7 | Very low | 36.5 | Very low | 111 Ų | 111 | 109.8 Ų | 109.8 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | trans | -98.2 | 135.1 | 170.8 | 10.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | P | 35.1 | Very low | 36.2 | Very low | 199 Ų | 199 | 108.9 Ų | 108.9 | 100% | 1.292 | 61% | 0.608 | S | S | * | * | trans | -63.1 | 0 | 177 | 27.9 | -34.2 | 0 | 0 | 0 | 113 |
Retrieved 92 of 92 residues in 186 ms
(Link to these results)