| 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 | 53.1 | Low | 75 | Confident | 200 Ų | 200 | 105.5 Ų | 105.5 | 99% | 0.985 | 49% | 0.485 | S | S | * | . | 0 | 133.9 | 0 | -70.9 | -63.9 | 168.8 | 0 | 0 | 109.2 | V3 | M1-V3 PolarHBondContact O-N 3.34Š| |||
| 2 | D | 64.6 | Low | 75.7 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | trans | -77.4 | 82 | -177.8 | -77 | -47.9 | 0 | 0 | 0 | 112.9 | R4 R5 | D2-R4 VanDerWaalsContact C-N 3.25Å; D2-R4 PolarHBondContact O-N 3.14Å; D2-R5 HydrophobicContact CB-CB 4.13Å; D2-R5 HydrophobicContact CB-CG 4.09Å; D2-R5 PolarHBondContact O-N 2.96Å | ||
| 3 | V | 67.6 | Low | 76.5 | Confident | 8 Ų | 8 | 107.2 Ų | 107.2 | 5% | 0.048 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -56.4 | -39.4 | -178.2 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | M1 R5 L6 L11 A30 L33 Q34 L37 | M1-V3 PolarHBondContact O-N 3.34Å; V3-R5 PolarHBondContact O-N 3.11Å; V3-L6 PolarHBondContact O-N 3.3Å; V3-L11 HydrophobicContact CG1-CD2 3.57Å; V3-L11 WeakPolarHBondContact O-CD2 3.34Å; V3-A30 HydrophobicContact CG1-CB 4.26Å; V3-A30 WeakPolarHBondContact CG1-O 3.11Å; V3-L33 HydrophobicContact CG1-CB 3.83Å; V3-L33 HydrophobicContact CG1-CD2 3.73Å; V3-L33 HydrophobicContact CG1-CG 3.78Å; V3-L33 HydrophobicContact CG2-CG 4.3Å; V3-Q34 HydrophobicContact CB-CB 4.43Å; V3-Q34 HydrophobicContact CG2-CB 4.41Å; V3-L37 HydrophobicContact CG2-CD1 3.5Å; V3-L37 VanDerWaalsContact CG2-CD1 3.5Å |
| 4 | R | 70.5 | Confident | 76.9 | Confident | 173 Ų | 173 | 103.2 Ų | 103.2 | 65% | 0.653 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -70.6 | -16.1 | -175.2 | -59.7 | -177.2 | -175 | -174.1 | 1.5 | 114 | D2 Q34 | D2-R4 VanDerWaalsContact C-N 3.25Å; D2-R4 PolarHBondContact O-N 3.14Å; R4-Q34 VanDerWaalsContact CZ-OE1 3.32Å; R4-Q34 VanDerWaalsContact NH2-OE1 3.12Å |
| 5 | R | 75.6 | Confident | 77.5 | Confident | 207 Ų | 207 | 96.3 Ų | 96.3 | 78% | 0.781 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -96.1 | -11.7 | -177.7 | -62 | -177.3 | 68.3 | 159.3 | 0.3 | 113.1 | D2 V3 | D2-R5 HydrophobicContact CB-CB 4.13Å; D2-R5 HydrophobicContact CB-CG 4.09Å; D2-R5 PolarHBondContact O-N 2.96Å; V3-R5 PolarHBondContact O-N 3.11Å |
| 6 | L | 77.6 | Confident | 77.8 | Confident | 57 Ų | 57 | 98.9 Ų | 98.9 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -75.6 | 156.7 | -178.5 | -66.1 | 166.5 | 0 | 0 | 0 | 112.7 | V3 E10 L11 K26 | V3-L6 PolarHBondContact O-N 3.3Å; L6-E10 HydrophobicContact CB-CB 4.43Å; L6-L11 HydrophobicContact CB-CD2 4.17Å; L6-L11 HydrophobicContact CB-CG 4.13Å; L6-K26 WeakPolarHBondContact O-CE 3.2Å; L6-K26 PolarHBondContact O-NZ 3.35Å |
| 7 | K | 80.9 | Confident | 78.2 | Confident | 148 Ų | 148 | 105.1 Ų | 105.1 | 64% | 0.643 | 47% | 0.469 | S | S | * | . | trans | -78.7 | 155.1 | 177.5 | -162.8 | 148.4 | -178.3 | 173.7 | 0 | 110.4 | N9 E10 L11 | K7-N9 PolarHBondContact O-N 2.83Å; K7-N9 VanDerWaalsContact O-N 3.11Å; K7-E10 PolarHBondContact O-N 3.11Å; K7-L11 PolarHBondContact O-N 3.1Å | ||
| 8 | V | 77.8 | Confident | 78.2 | Confident | 43 Ų | 43 | 104.8 Ų | 104.8 | 26% | 0.261 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -54.7 | -33.1 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | R12 K26 L29 | V8-R12 HydrophobicContact CG1-CG 4.27Å; V8-R12 VanDerWaalsContact O-CB 3.3Å; V8-R12 WeakPolarHBondContact O-CB 3.29Å; V8-R12 WeakPolarHBondContact O-CG 3.48Å; V8-R12 PolarHBondContact O-N 3.11Å; V8-K26 HydrophobicContact CG2-CB 3.86Å; V8-K26 HydrophobicContact CG2-CD 3.63Å; V8-K26 HydrophobicContact CG2-CG 3.65Å; V8-L29 HydrophobicContact CG1-CD1 4.01Å |
| 9 | N | 84.1 | Confident | 78.4 | Confident | 106 Ų | 106 | 102.9 Ų | 102.9 | 57% | 0.567 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.9 | -50.6 | 176 | -78.3 | -28.4 | 0 | 0 | 0 | 112.1 | K7 R12 E13 | K7-N9 PolarHBondContact O-N 2.83Å; K7-N9 VanDerWaalsContact O-N 3.11Å; N9-R12 PolarHBondContact O-N 3.45Å; N9-E13 PolarHBondContact O-N 3.25Å |
| 10 | E | 86.3 | Confident | 78.5 | Confident | 104 Ų | 104 | 100.8 Ų | 100.8 | 49% | 0.486 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 178.8 | -68.4 | -179.4 | 93.4 | 0 | 0 | 111.9 | L6 K7 R12 E13 E14 | L6-E10 HydrophobicContact CB-CB 4.43Å; K7-E10 PolarHBondContact O-N 3.11Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 2.97Å; E10-E13 PolarHBondContact O-N 3.21Å; E10-E14 WeakPolarHBondContact O-CB 3.44Å; E10-E14 PolarHBondContact O-N 3.22Å |
| 11 | L | 86.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 100.1 Ų | 100.1 | 0% | 0 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 174 | -71.9 | 174.1 | 0 | 0 | 0 | 111.6 | V3 L6 K7 L15 K26 L29 A30 L33 | V3-L11 HydrophobicContact CG1-CD2 3.57Å; V3-L11 WeakPolarHBondContact O-CD2 3.34Å; L6-L11 HydrophobicContact CB-CD2 4.17Å; L6-L11 HydrophobicContact CB-CG 4.13Å; K7-L11 PolarHBondContact O-N 3.1Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 2.8Å; L11-L15 VanDerWaalsContact O-N 3.08Å; L11-K26 HydrophobicContact CD1-CG 4.14Å; L11-L29 HydrophobicContact CB-CB 4.32Å; L11-A30 HydrophobicContact CD1-CB 4.13Å; L11-A30 HydrophobicContact CD2-CB 4.4Å; L11-L33 HydrophobicContact CD2-CD2 3.9Å |
| 12 | R | 83.4 | Confident | 80 | Confident | 106 Ų | 106 | 92.6 Ų | 92.6 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 177.8 | -77.6 | 176.4 | 167.3 | 178 | -1.7 | 112.4 | V8 N9 E10 L15 Q16 T22 L29 | V8-R12 HydrophobicContact CG1-CG 4.27Å; V8-R12 VanDerWaalsContact O-CB 3.3Å; V8-R12 WeakPolarHBondContact O-CB 3.29Å; V8-R12 WeakPolarHBondContact O-CG 3.48Å; V8-R12 PolarHBondContact O-N 3.11Å; N9-R12 PolarHBondContact O-N 3.45Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 2.97Å; R12-L15 PolarHBondContact O-N 3.39Å; R12-Q16 WeakPolarHBondContact O-CB 3.25Å; R12-Q16 PolarHBondContact O-N 2.98Å; R12-T22 HydrophobicContact CB-CG2 4.18Å; R12-T22 HydrophobicContact CG-CG2 4.38Å; R12-T22 PolarHBondContact NE-O 2.86Å; R12-T22 VanDerWaalsContact O-CG2 3.29Å; R12-T22 WeakPolarHBondContact O-CG2 3.48Å; R12-L29 HydrophobicContact CG-CD1 3.9Å; R12-L29 HydrophobicContact CG-CD2 4.37Å |
| 13 | E | 85.9 | Confident | 80.5 | Confident | 127 Ų | 127 | 96.8 Ų | 96.8 | 59% | 0.593 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 177.6 | -80.9 | -176 | 125.8 | 0 | 0 | 111.5 | N9 E10 Q16 R17 | N9-E13 PolarHBondContact O-N 3.25Å; E10-E13 PolarHBondContact O-N 3.21Å; E13-Q16 PolarHBondContact O-N 3.07Å; E13-R17 WeakPolarHBondContact O-CB 3.17Å; E13-R17 PolarHBondContact O-N 3.18Å |
| 14 | E | 82.3 | Confident | 80.8 | Confident | 51 Ų | 51 | 98.2 Ų | 98.2 | 24% | 0.238 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.4 | -40.6 | -179.9 | -167.5 | 61.4 | -143.4 | 0 | 0 | 111.5 | E10 R18 L33 | E10-E14 WeakPolarHBondContact O-CB 3.44Å; E10-E14 PolarHBondContact O-N 3.22Å; E14-R18 WeakPolarHBondContact O-CB 3.2Å; E14-R18 VanDerWaalsContact O-CG 3.27Å; E14-R18 WeakPolarHBondContact O-CG 3.45Å; E14-R18 PolarHBondContact O-N 3.11Å; E14-R18 VanDerWaalsContact O-N 3.11Å; E14-R18 IonicContact OE1-CZ 3.56Å; E14-R18 IonicContact OE1-NE 2.99Å; E14-R18 PolarHBondContact OE1-NE 3.08Å; E14-R18 IonicContact OE1-NH2 3.19Å; E14-R18 PolarHBondContact OE1-NH2 3.36Å; E14-L33 HydrophobicContact CB-CD1 4.49Å; E14-L33 HydrophobicContact CB-CD2 3.91Å; E14-L33 HydrophobicContact CG-CD1 3.71Å; E14-L33 HydrophobicContact CG-CD2 3.79Å; E14-L33 HydrophobicContact CG-CG 4.44Å |
| 15 | L | 85.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 96.1 Ų | 96.1 | 0% | 0 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 172.1 | -72.7 | 169.7 | 0 | 0 | 0 | 112.2 | L11 R12 R17 R18 G19 L20 T22 L29 R32 L33 | L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 2.8Å; L11-L15 VanDerWaalsContact O-N 3.08Å; R12-L15 PolarHBondContact O-N 3.39Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 2.83Å; L15-R18 CarbonylContact O-C 3.45Å; L15-R18 PolarHBondContact O-N 3.47Å; L15-G19 PolarHBondContact O-N 3.21Å; L15-L20 HydrophobicContact CB-CB 4.16Å; L15-L20 HydrophobicContact CD2-CB 3.61Å; L15-L20 HydrophobicContact CD2-CD1 3.56Å; L15-L20 HydrophobicContact CD2-CG 4.23Å; L15-L20 HydrophobicContact CG-CB 4.48Å; L15-L20 PolarHBondContact O-N 2.98Å; L15-T22 HydrophobicContact CB-CG2 4.16Å; L15-L29 HydrophobicContact CD1-CB 3.66Å; L15-L29 HydrophobicContact CD1-CD2 3.29Å; L15-L29 HydrophobicContact CD1-CG 4.07Å; L15-L29 WeakPolarHBondContact CD1-O 3.5Å; L15-R32 HydrophobicContact CD2-CB 4.2Å; L15-R32 HydrophobicContact CD2-CG 4.29Å; L15-L33 HydrophobicContact CD2-CB 3.95Å; L15-L33 HydrophobicContact CG-CB 4.34Å |
| 16 | Q | 83.6 | Confident | 81.3 | Confident | 138 Ų | 138 | 91 Ų | 91 | 65% | 0.645 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 179.1 | -175.5 | 168 | 37.2 | 0 | 0 | 111.4 | R12 E13 R18 G19 T22 | R12-Q16 WeakPolarHBondContact O-CB 3.25Å; R12-Q16 PolarHBondContact O-N 2.98Å; E13-Q16 PolarHBondContact O-N 3.07Å; Q16-R18 PolarHBondContact O-N 3.21Å; Q16-G19 PolarHBondContact O-N 3.47Å; Q16-T22 HydrophobicContact CB-CG2 3.84Å |
| 17 | R | 83.4 | Confident | 81.4 | Confident | 203 Ų | 203 | 91.2 Ų | 91.2 | 77% | 0.766 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.6 | -32.5 | 176.3 | -178.8 | 173.6 | 145.6 | -169.3 | -8.9 | 112.1 | E13 L15 G19 | E13-R17 WeakPolarHBondContact O-CB 3.17Å; E13-R17 PolarHBondContact O-N 3.18Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 2.83Å; R17-G19 VanDerWaalsContact C-N 3.35Å |
| 18 | R | 78 | Confident | 81.3 | Confident | 100 Ų | 100 | 88.1 Ų | 88.1 | 38% | 0.377 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.9 | 173.5 | -67 | 174.8 | -173.4 | -124.6 | 1.9 | 113.6 | E14 L15 Q16 L20 E40 | E14-R18 WeakPolarHBondContact O-CB 3.2Å; E14-R18 VanDerWaalsContact O-CG 3.27Å; E14-R18 WeakPolarHBondContact O-CG 3.45Å; E14-R18 PolarHBondContact O-N 3.11Å; E14-R18 VanDerWaalsContact O-N 3.11Å; E14-R18 IonicContact OE1-CZ 3.56Å; E14-R18 IonicContact OE1-NE 2.99Å; E14-R18 PolarHBondContact OE1-NE 3.08Å; E14-R18 IonicContact OE1-NH2 3.19Å; E14-R18 PolarHBondContact OE1-NH2 3.36Å; L15-R18 CarbonylContact O-C 3.45Å; L15-R18 PolarHBondContact O-N 3.47Å; Q16-R18 PolarHBondContact O-N 3.21Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 HydrophobicContact CB-CD1 4.08Å; R18-L20 HydrophobicContact CB-CG 4.23Å; R18-E40 IonicContact NH1-OE2 3.57Å |
| 19 | G | 82.2 | Confident | 81.7 | Confident | 70 Ų | 70 | 86.2 Ų | 86.2 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 20.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L15 Q16 R17 | L15-G19 PolarHBondContact O-N 3.21Å; Q16-G19 PolarHBondContact O-N 3.47Å; R17-G19 VanDerWaalsContact C-N 3.35Å |
| 20 | L | 80.1 | Confident | 81.6 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | trans | -89 | 154.4 | 175.9 | -65.4 | 167.9 | 0 | 0 | 0 | 110.7 | L15 R18 T22 R32 | L15-L20 HydrophobicContact CB-CB 4.16Å; L15-L20 HydrophobicContact CD2-CB 3.61Å; L15-L20 HydrophobicContact CD2-CD1 3.56Å; L15-L20 HydrophobicContact CD2-CG 4.23Å; L15-L20 HydrophobicContact CG-CB 4.48Å; L15-L20 PolarHBondContact O-N 2.98Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 HydrophobicContact CB-CD1 4.08Å; R18-L20 HydrophobicContact CB-CG 4.23Å; L20-T22 PolarHBondContact O-N 3.27Å; L20-R32 HydrophobicContact CD1-CG 4.39Å | ||
| 21 | D | 80.7 | Confident | 81.5 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 47% | 0.465 | 41% | 0.411 | S | S | . | . | trans | -59.7 | 128.9 | -179.7 | -72.3 | -86.7 | 0 | 0 | 0 | 112.2 | R23 R32 | D21-R23 VanDerWaalsContact C-N 3.32Å; D21-R32 VanDerWaalsContact CB-NH1 3.28Å; D21-R32 IonicContact OD2-CZ 3.91Å; D21-R32 IonicContact OD2-NH1 2.86Å; D21-R32 PolarHBondContact OD2-NH1 2.94Å | ||
| 22 | T | 83.4 | Confident | 81.4 | Confident | 42 Ų | 42 | 86.7 Ų | 86.7 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | trans | -93.7 | 5.6 | 169.8 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | R12 L15 Q16 L20 | R12-T22 HydrophobicContact CB-CG2 4.18Å; R12-T22 HydrophobicContact CG-CG2 4.38Å; R12-T22 PolarHBondContact NE-O 2.86Å; R12-T22 VanDerWaalsContact O-CG2 3.29Å; R12-T22 WeakPolarHBondContact O-CG2 3.48Å; L15-T22 HydrophobicContact CB-CG2 4.16Å; Q16-T22 HydrophobicContact CB-CG2 3.84Å; L20-T22 PolarHBondContact O-N 3.27Å | ||
| 23 | R | 75.4 | Confident | 81.5 | Confident | 203 Ų | 203 | 81.9 Ų | 81.9 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | trans | -95.1 | 126.5 | 178.6 | -56.8 | -175.7 | 76.6 | -176.4 | 3.2 | 108.7 | D21 | D21-R23 VanDerWaalsContact C-N 3.32Š| ||
| 24 | G | 72.6 | Confident | 81.4 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 141.9 | -178.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 25 | L | 79.3 | Confident | 81.4 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | trans | -74.3 | 159.4 | 174.4 | -70.3 | 100.4 | 0 | 0 | 0 | 111 | A27 E28 L29 | L25-A27 PolarHBondContact O-N 3.21Å; L25-A27 VanDerWaalsContact O-N 3.11Å; L25-E28 PolarHBondContact O-N 3.35Å; L25-E28 VanDerWaalsContact O-N 3.11Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 3.18Å; L25-L29 VanDerWaalsContact O-N 3.14Å | ||
| 26 | K | 78.1 | Confident | 81.2 | Confident | 100 Ų | 100 | 79.1 Ų | 79.1 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -51 | -36.7 | 175.2 | -178.7 | 179.4 | -175.5 | -162.7 | 0 | 112.3 | L6 V8 L11 A30 | L6-K26 WeakPolarHBondContact O-CE 3.2Å; L6-K26 PolarHBondContact O-NZ 3.35Å; V8-K26 HydrophobicContact CG2-CB 3.86Å; V8-K26 HydrophobicContact CG2-CD 3.63Å; V8-K26 HydrophobicContact CG2-CG 3.65Å; L11-K26 HydrophobicContact CD1-CG 4.14Å; K26-A30 PolarHBondContact O-N 2.91Å; K26-A30 VanDerWaalsContact O-N 3.1Å |
| 27 | A | 79.6 | Confident | 81.1 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.5 | -51.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 L29 A30 E31 | L25-A27 PolarHBondContact O-N 3.21Å; L25-A27 VanDerWaalsContact O-N 3.11Å; A27-L29 VanDerWaalsContact C-N 3.28Å; A27-L29 PolarHBondContact O-N 3.48Å; A27-A30 PolarHBondContact O-N 2.83Å; A27-A30 VanDerWaalsContact O-N 3.11Å; A27-E31 WeakPolarHBondContact O-CG 2.96Å; A27-E31 PolarHBondContact O-N 2.77Å |
| 28 | E | 79.5 | Confident | 80.6 | Confident | 84 Ų | 84 | 70 Ų | 70 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 177.2 | -81.2 | -171.7 | 88.9 | 0 | 0 | 112.6 | L25 R32 | L25-E28 PolarHBondContact O-N 3.35Å; L25-E28 VanDerWaalsContact O-N 3.11Å; E28-R32 VanDerWaalsContact O-CB 3.29Å; E28-R32 WeakPolarHBondContact O-CB 3.37Å; E28-R32 PolarHBondContact O-N 2.96Å |
| 29 | L | 85.6 | Confident | 80.2 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 177.3 | -63.4 | 166.8 | 0 | 0 | 0 | 110.9 | V8 L11 R12 L15 L25 A27 L33 | V8-L29 HydrophobicContact CG1-CD1 4.01Å; L11-L29 HydrophobicContact CB-CB 4.32Å; R12-L29 HydrophobicContact CG-CD1 3.9Å; R12-L29 HydrophobicContact CG-CD2 4.37Å; L15-L29 HydrophobicContact CD1-CB 3.66Å; L15-L29 HydrophobicContact CD1-CD2 3.29Å; L15-L29 HydrophobicContact CD1-CG 4.07Å; L15-L29 WeakPolarHBondContact CD1-O 3.5Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 3.18Å; L25-L29 VanDerWaalsContact O-N 3.14Å; A27-L29 VanDerWaalsContact C-N 3.28Å; A27-L29 PolarHBondContact O-N 3.48Å; L29-L33 PolarHBondContact O-N 2.84Å |
| 30 | A | 82.8 | Confident | 79.2 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V3 L11 K26 A27 L33 Q34 | V3-A30 HydrophobicContact CG1-CB 4.26Å; V3-A30 WeakPolarHBondContact CG1-O 3.11Å; L11-A30 HydrophobicContact CD1-CB 4.13Å; L11-A30 HydrophobicContact CD2-CB 4.4Å; K26-A30 PolarHBondContact O-N 2.91Å; K26-A30 VanDerWaalsContact O-N 3.1Å; A27-A30 PolarHBondContact O-N 2.83Å; A27-A30 VanDerWaalsContact O-N 3.11Å; A30-L33 PolarHBondContact O-N 2.92Å; A30-Q34 WeakPolarHBondContact O-CB 3.17Å; A30-Q34 PolarHBondContact O-N 3.13Å |
| 31 | E | 83.9 | Confident | 77.8 | Confident | 128 Ų | 128 | 75.7 Ų | 75.7 | 60% | 0.598 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 177.4 | -76 | -179.9 | 166.4 | 0 | 0 | 111.7 | A27 Q34 A35 | A27-E31 WeakPolarHBondContact O-CG 2.96Å; A27-E31 PolarHBondContact O-N 2.77Å; E31-Q34 PolarHBondContact O-N 2.87Å; E31-A35 VanDerWaalsContact O-CB 3.25Å; E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 2.81Å |
| 32 | R | 84.4 | Confident | 76.4 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | -179.8 | -164.4 | 179.3 | -62.8 | -155.9 | 9.8 | 112.4 | L15 L20 D21 E28 A36 | L15-R32 HydrophobicContact CD2-CB 4.2Å; L15-R32 HydrophobicContact CD2-CG 4.29Å; L20-R32 HydrophobicContact CD1-CG 4.39Å; D21-R32 VanDerWaalsContact CB-NH1 3.28Å; D21-R32 IonicContact OD2-CZ 3.91Å; D21-R32 IonicContact OD2-NH1 2.86Å; D21-R32 PolarHBondContact OD2-NH1 2.94Å; E28-R32 VanDerWaalsContact O-CB 3.29Å; E28-R32 WeakPolarHBondContact O-CB 3.37Å; E28-R32 PolarHBondContact O-N 2.96Å; R32-A36 PolarHBondContact O-N 3.48Å |
| 33 | L | 84.6 | Confident | 74.6 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.1 | -38.4 | 175.6 | 179 | 57.9 | 0 | 0 | 0 | 111.6 | V3 L11 E14 L15 L29 A30 A36 L37 | V3-L33 HydrophobicContact CG1-CB 3.83Å; V3-L33 HydrophobicContact CG1-CD2 3.73Å; V3-L33 HydrophobicContact CG1-CG 3.78Å; V3-L33 HydrophobicContact CG2-CG 4.3Å; L11-L33 HydrophobicContact CD2-CD2 3.9Å; E14-L33 HydrophobicContact CB-CD1 4.49Å; E14-L33 HydrophobicContact CB-CD2 3.91Å; E14-L33 HydrophobicContact CG-CD1 3.71Å; E14-L33 HydrophobicContact CG-CD2 3.79Å; E14-L33 HydrophobicContact CG-CG 4.44Å; L15-L33 HydrophobicContact CD2-CB 3.95Å; L15-L33 HydrophobicContact CG-CB 4.34Å; L29-L33 PolarHBondContact O-N 2.84Å; A30-L33 PolarHBondContact O-N 2.92Å; L33-A36 PolarHBondContact O-N 2.97Å; L33-L37 HydrophobicContact CG-CD1 4.49Å; L33-L37 WeakPolarHBondContact O-CG 3.18Å; L33-L37 PolarHBondContact O-N 2.79Å; L33-L37 VanDerWaalsContact O-N 3.16Å |
| 34 | Q | 83.7 | Confident | 73.3 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 17% | 0.173 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 174.5 | 176.9 | 167.4 | -25.8 | 0 | 0 | 111.1 | V3 R4 A30 E31 A36 L37 E38 | V3-Q34 HydrophobicContact CB-CB 4.43Å; V3-Q34 HydrophobicContact CG2-CB 4.41Å; R4-Q34 VanDerWaalsContact CZ-OE1 3.32Å; R4-Q34 VanDerWaalsContact NH2-OE1 3.12Å; A30-Q34 WeakPolarHBondContact O-CB 3.17Å; A30-Q34 PolarHBondContact O-N 3.13Å; E31-Q34 PolarHBondContact O-N 2.87Å; Q34-A36 PolarHBondContact O-N 2.98Å; Q34-L37 CarbonylContact O-C 3.59Å; Q34-L37 PolarHBondContact O-N 3.24Å; Q34-E38 PolarHBondContact NE2-OE1 3.41Å; Q34-E38 VanDerWaalsContact O-CB 3.29Å; Q34-E38 WeakPolarHBondContact O-CB 3.48Å; Q34-E38 PolarHBondContact O-N 3.01Å |
| 35 | A | 82.8 | Confident | 72.2 | Confident | 54 Ų | 54 | 83.2 Ų | 83.2 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.3 | -34.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E31 A39 | E31-A35 VanDerWaalsContact O-CB 3.25Å; E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 2.81Å; A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 3.16Å |
| 36 | A | 81.9 | Confident | 70.5 | Confident | 29 Ų | 29 | 89 Ų | 89 | 24% | 0.24 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R32 L33 Q34 E40 | R32-A36 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 2.97Å; Q34-A36 PolarHBondContact O-N 2.98Å; A36-E40 PolarHBondContact O-N 3.19Å |
| 37 | L | 80.8 | Confident | 68.9 | Low | 36 Ų | 36 | 92.3 Ų | 92.3 | 19% | 0.188 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -75.1 | -40 | 177 | -70.4 | 169.2 | 0 | 0 | 0 | 112.2 | V3 L33 Q34 A39 E40 E41 | V3-L37 HydrophobicContact CG2-CD1 3.5Å; V3-L37 VanDerWaalsContact CG2-CD1 3.5Å; L33-L37 HydrophobicContact CG-CD1 4.49Å; L33-L37 WeakPolarHBondContact O-CG 3.18Å; L33-L37 PolarHBondContact O-N 2.79Å; L33-L37 VanDerWaalsContact O-N 3.16Å; Q34-L37 CarbonylContact O-C 3.59Å; Q34-L37 PolarHBondContact O-N 3.24Å; L37-A39 PolarHBondContact O-N 2.99Å; L37-E40 CarbonylContact O-C 3.53Å; L37-E40 WeakPolarHBondContact O-CA 3.47Å; L37-E40 PolarHBondContact O-N 2.79Å; L37-E41 PolarHBondContact O-N 2.83Å |
| 38 | E | 72.9 | Confident | 67.2 | Low | 115 Ų | 115 | 96 Ų | 96 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71 | -21.2 | 177.7 | -151.6 | 171.8 | -100.2 | 0 | 0 | 111.6 | Q34 E41 | Q34-E38 PolarHBondContact NE2-OE1 3.41Å; Q34-E38 VanDerWaalsContact O-CB 3.29Å; Q34-E38 WeakPolarHBondContact O-CB 3.48Å; Q34-E38 PolarHBondContact O-N 3.01Å; E38-E41 CarbonylContact C-O 3.49Å; E38-E41 CarbonylContact O-C 3.58Å |
| 39 | A | 70.1 | Confident | 65.3 | Low | 85 Ų | 85 | 99.9 Ų | 99.9 | 70% | 0.702 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -22.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A35 L37 | A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 3.16Å; L37-A39 PolarHBondContact O-N 2.99Å |
| 40 | E | 60.5 | Low | 63.6 | Low | 141 Ų | 141 | 103.4 Ų | 103.4 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -33.2 | 175.2 | -78.5 | -179.6 | 118.1 | 0 | 0 | 112.5 | R18 A36 L37 P42 | R18-E40 IonicContact NH1-OE2 3.57Å; A36-E40 PolarHBondContact O-N 3.19Å; L37-E40 CarbonylContact O-C 3.53Å; L37-E40 WeakPolarHBondContact O-CA 3.47Å; L37-E40 PolarHBondContact O-N 2.79Å; E40-P42 WeakPolarHBondContact O-CD 3.27Å |
| 41 | E | 51.9 | Low | 61.9 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -103.5 | 100.1 | 169.9 | -77.5 | -176.9 | 87.6 | 0 | 0 | 108.4 | L37 E38 D43 | L37-E41 PolarHBondContact O-N 2.83Å; E38-E41 CarbonylContact C-O 3.49Å; E38-E41 CarbonylContact O-C 3.58Å; E41-D43 PolarHBondContact O-N 3.47Å |
| 42 | P | 50.8 | Low | 60.3 | Low | 103 Ų | 103 | 110.3 Ų | 110.3 | 67% | 0.669 | 58% | 0.58 | S | S | * | * | trans | -67.7 | 92.3 | 167.3 | 30 | -31.4 | 0 | 0 | 0 | 107.2 | E40 D44 | E40-P42 WeakPolarHBondContact O-CD 3.27Å; P42-D44 PolarHBondContact O-N 3.42Å | ||
| 43 | D | 45.6 | Very low | 58.9 | Low | 117 Ų | 117 | 113 Ų | 113 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | trans | -72.7 | 92.8 | 164 | -136.7 | -101.4 | 0 | 0 | 0 | 106.1 | E41 E45 | E41-D43 PolarHBondContact O-N 3.47Å; D43-E45 PolarHBondContact O-N 2.95Å | ||
| 44 | D | 48.2 | Very low | 57.2 | Low | 152 Ų | 152 | 117.5 Ų | 117.5 | 81% | 0.813 | 63% | 0.625 | S | S | * | * | trans | -55.9 | 68.8 | 172.6 | -87.4 | -77.6 | 0 | 0 | 0 | 111.6 | P42 | P42-D44 PolarHBondContact O-N 3.42Š| ||
| 45 | E | 48.3 | Very low | 55.5 | Low | 156 Ų | 156 | 118.5 Ų | 118.5 | 73% | 0.729 | 65% | 0.646 | S | S | * | * | trans | -161.8 | 80.1 | 167 | 33.9 | -173.8 | 77.3 | 0 | 0 | 113.8 | D43 | D43-E45 PolarHBondContact O-N 2.95Š| ||
| 46 | R | 45.2 | Very low | 53.8 | Low | 249 Ų | 249 | 126.9 Ų | 126.9 | 94% | 0.94 | 67% | 0.666 | S | S | * | * | trans | -127.2 | 75.5 | 139.8 | -76.9 | -168.9 | -66 | -166.9 | -3.1 | 109.8 | ||||
| 47 | E | 43.3 | Very low | 52.3 | Low | 170 Ų | 170 | 131.1 Ų | 131.1 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | 2.4 | 117.9 | 129.5 | -161.2 | 155.4 | 86.9 | 0 | 0 | 116.5 | |||||
| 48 | L | 44.7 | Very low | 50.5 | Low | 139 Ų | 139 | 132.9 Ų | 132.9 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | trans | 58.5 | 87.6 | 146.9 | -48.2 | 162.3 | 0 | 0 | 0 | 118 | A50 | L48-A50 VanDerWaalsContact C-N 3.31Å; L48-A50 PolarHBondContact O-N 3.39Å | ||
| 49 | D | 40 | Very low | 49.2 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | -89 | 88.7 | 134.6 | -136.7 | -97.8 | 0 | 0 | 0 | 106.1 | D51 | D49-D51 PolarHBondContact O-N 3.11Š| ||
| 50 | A | 49.7 | Very low | 48 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -57.2 | 104.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | L48 D52 | L48-A50 VanDerWaalsContact C-N 3.31Å; L48-A50 PolarHBondContact O-N 3.39Å; A50-D52 PolarHBondContact O-N 3.35Å | ||
| 51 | D | 47.3 | Very low | 47.3 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -61.6 | 91.6 | 159.2 | -162.3 | -106.2 | 0 | 0 | 0 | 105.8 | D49 E53 | D49-D51 PolarHBondContact O-N 3.11Å; D51-E53 PolarHBondContact O-N 3.04Å | ||
| 52 | D | 49.7 | Very low | 46.8 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -55.3 | 89.8 | 163.3 | -167.6 | -96.3 | 0 | 0 | 0 | 106.1 | A50 P54 | A50-D52 PolarHBondContact O-N 3.35Å; D52-P54 VanDerWaalsContact C-CD 3.41Å; D52-P54 WeakPolarHBondContact O-CD 3.26Å | ||
| 53 | E | 55.6 | Low | 46.6 | Very low | 139 Ų | 139 | 144 Ų | 144 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | -89.6 | 92.1 | 164.1 | -160.5 | -98.7 | 105.2 | 0 | 0 | 106.5 | D51 G55 | D51-E53 PolarHBondContact O-N 3.04Å; E53-G55 PolarHBondContact O-N 3.41Å; E53-G55 WeakPolarHBondContact OE1-CA 3.49Å | ||
| 54 | P | 49.1 | Very low | 46.7 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 103.7 | 173.2 | 28 | -33.7 | 0 | 0 | 0 | 107.2 | D52 R56 | D52-P54 VanDerWaalsContact C-CD 3.41Å; D52-P54 WeakPolarHBondContact O-CD 3.26Å; P54-R56 PolarHBondContact O-N 3.11Å; P54-R56 VanDerWaalsContact O-N 3.13Å | ||
| 55 | G | 46.7 | Very low | 46.4 | Very low | 58 Ų | 58 | 143.5 Ų | 143.5 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | trans | -38.9 | 118.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E53 P57 | E53-G55 PolarHBondContact O-N 3.41Å; E53-G55 WeakPolarHBondContact OE1-CA 3.49Å; G55-P57 WeakPolarHBondContact O-CD 3.3Å | ||
| 56 | R | 48.1 | Very low | 46.3 | Very low | 230 Ų | 230 | 143.3 Ų | 143.3 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -77.2 | 116.1 | 167.5 | -156.4 | 171.2 | -165 | -101.2 | 1.5 | 108.4 | P54 | P54-R56 PolarHBondContact O-N 3.11Å; P54-R56 VanDerWaalsContact O-N 3.13Å | ||
| 57 | P | 50.1 | Low | 46.1 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -67.1 | 144.4 | -177.1 | 29.3 | -33.6 | 0 | 0 | 0 | 110.1 | G55 | G55-P57 WeakPolarHBondContact O-CD 3.3Š| ||
| 58 | G | 43.8 | Very low | 46.3 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | -76.1 | -171.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 59 | H | 45.3 | Very low | 46.4 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 76.1 | 107.1 | 163.6 | -124.1 | -98.2 | 0 | 0 | 0 | 116.2 | N61 | H59-N61 PolarHBondContact CE1-OD1 3.31Å; H59-N61 PolarHBondContact ND1-OD1 2.94Å | ||
| 60 | I | 44.3 | Very low | 46.4 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 86% | 0.862 | 75% | 0.749 | S | S | * | * | -154.4 | 162.9 | 91.1 | 52.2 | 168.2 | 0 | 0 | 0 | 109.6 | |||||
| 61 | N | 45.3 | Very low | 46 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 58% | 0.578 | 76% | 0.757 | S | S | * | * | trans | -130.2 | 133.1 | -149.4 | 28.1 | -42 | 0 | 0 | 0 | 108.1 | H59 | H59-N61 PolarHBondContact CE1-OD1 3.31Å; H59-N61 PolarHBondContact ND1-OD1 2.94Å | ||
| 62 | E | 42.8 | Very low | 46 | Very low | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -175.3 | 101.1 | 155.1 | -109.5 | 152.4 | 56.2 | 0 | 0 | 106.4 | ||||
| 63 | E | 46.5 | Very low | 45.8 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | 69.8 | 95.3 | 93.2 | -170.2 | 164.8 | 96.3 | 0 | 0 | 112.6 | |||||
| 64 | A | 46.2 | Very low | 45 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -172.8 | 85.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 65 | E | 43.2 | Very low | 44.8 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 70.2 | 91.3 | 93.7 | -61.3 | -99 | 92.7 | 0 | 0 | 112.4 | |||||
| 66 | L | 45.5 | Very low | 44.6 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 20.4 | 116 | 139.6 | -59 | 166.9 | 0 | 0 | 0 | 118.5 | ||||
| 67 | Q | 41 | Very low | 44.9 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -150 | 113.7 | 134.7 | -63.2 | -165.9 | 17.4 | 0 | 0 | 112 | ||||
| 68 | P | 48.3 | Very low | 44.7 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -91.6 | 152.8 | 159 | 34.6 | -27.1 | 0 | 0 | 0 | 110.6 | ||||
| 69 | A | 47 | Very low | 44.5 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | 82.7 | 130.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 70 | T | 39.3 | Very low | 44.7 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | -167.7 | 148.6 | 65.3 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 71 | L | 40.5 | Very low | 44.7 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | 74.6 | 100.4 | 153.4 | -92.7 | 88.9 | 0 | 0 | 0 | 120 | ||||
| 72 | Q | 47.7 | Very low | 44.8 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | -92.6 | 140.5 | 123.7 | -61.5 | -151.1 | 74.2 | 0 | 0 | 106.6 | |||||
| 73 | P | 45.6 | Very low | 45.2 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | -153.2 | 148.5 | 78.5 | 35.8 | -15 | 0 | 0 | 0 | 116.5 | |||||
| 74 | G | 38.5 | Very low | 45.5 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | 86.7 | 122.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 75 | R | 45.8 | Very low | 45.9 | Very low | 223 Ų | 223 | 136 Ų | 136 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | 157.9 | 122.7 | 87.2 | -177.2 | 175.6 | -108.8 | -127.6 | 1.8 | 110.2 | |||||
| 76 | L | 41.8 | Very low | 46.1 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | 69.7 | 108.5 | 150.6 | -60 | 165.9 | 0 | 0 | 0 | 118.7 | ||||
| 77 | Q | 55.6 | Low | 46.6 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -14.4 | 118 | 155 | -51 | -175 | 51.2 | 0 | 0 | 115.4 | ||||
| 78 | P | 45.8 | Very low | 46.4 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -76.7 | 126.3 | 158 | 28.1 | -24.8 | 0 | 0 | 0 | 108.9 | ||||
| 79 | G | 39.7 | Very low | 46.5 | Very low | 64 Ų | 64 | 126.3 Ų | 126.3 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -59.9 | 169.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H81 | G79-H81 PolarHBondContact O-N 2.94Š| ||
| 80 | L | 48.1 | Very low | 46.6 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | trans | -6.8 | 90.9 | 166.7 | -79.8 | 69 | 0 | 0 | 0 | 113.9 | S82 | L80-S82 PolarHBondContact O-N 3.32Š| ||
| 81 | H | 45.2 | Very low | 47.5 | Very low | 169 Ų | 169 | 122.5 Ų | 122.5 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | trans | -71.3 | 117.6 | 147.9 | 56.7 | -98.2 | 0 | 0 | 0 | 106.1 | G79 | G79-H81 PolarHBondContact O-N 2.94Š| ||
| 82 | S | 47.9 | Very low | 48.1 | Very low | 83 Ų | 83 | 119.6 Ų | 119.6 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | trans | -49.9 | 147.8 | 156.7 | -50.8 | 0 | 0 | 0 | 0 | 108.4 | L80 T84 | L80-S82 PolarHBondContact O-N 3.32Å; S82-T84 PolarHBondContact O-N 3.09Å | ||
| 83 | P | 50.6 | Low | 48.5 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -68.7 | 76.3 | 170.3 | 29.9 | -33.7 | 0 | 0 | 0 | 108.5 | A85 | P83-A85 PolarHBondContact O-N 3.4Š| ||
| 84 | T | 52.2 | Low | 49.1 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | trans | -69.9 | 114.9 | 162.2 | 56.5 | 0 | 0 | 0 | 0 | 105.3 | S82 S86 | S82-T84 PolarHBondContact O-N 3.09Å; T84-S86 PolarHBondContact O-N 3.43Å | ||
| 85 | A | 54.8 | Low | 50.1 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 83% | 0.826 | 69% | 0.686 | S | S | * | * | trans | -35.1 | 100.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P83 | P83-A85 PolarHBondContact O-N 3.4Š| ||
| 86 | S | 46.9 | Very low | 50.7 | Low | 112 Ų | 112 | 114.8 Ų | 114.8 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | trans | -131.2 | 63.6 | 161.6 | -155 | 0 | 0 | 0 | 0 | 106.2 | T84 S88 | T84-S86 PolarHBondContact O-N 3.43Å; S86-S88 PolarHBondContact O-N 3.1Å | ||
| 87 | T | 55.5 | Low | 51.6 | Low | 96 Ų | 96 | 114.1 Ų | 114.1 | 59% | 0.589 | 67% | 0.667 | S | S | * | * | trans | -81.8 | 97.2 | 165.2 | 50.8 | 0 | 0 | 0 | 0 | 105.9 | T91 | T87-T91 HydrophobicContact CG2-CG2 4.21Š| ||
| 88 | S | 38 | Very low | 51.6 | Low | 82 Ų | 82 | 112.1 Ų | 112.1 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | trans | -28.7 | 143.6 | 161.4 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | S86 T90 T91 | S86-S88 PolarHBondContact O-N 3.1Å; S88-T90 PolarHBondContact O-N 3.01Å; S88-T91 PolarHBondContact O-N 2.82Å | ||
| 89 | T | 50.8 | Low | 52.1 | Low | 129 Ų | 129 | 116.6 Ų | 116.6 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.2 | -19.7 | 176.8 | -44.9 | 0 | 0 | 0 | 0 | 114.1 | T91 | T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact O-N 3.03Å |
| 90 | T | 48.3 | Very low | 53.1 | Low | 89 Ų | 89 | 122 Ų | 122 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -60 | -31.3 | 170.4 | -105.1 | 0 | 0 | 0 | 0 | 114.6 | S88 | S88-T90 PolarHBondContact O-N 3.01Å |
| 91 | T | 57.7 | Low | 53.6 | Low | 38 Ų | 38 | 120.3 Ų | 120.3 | 23% | 0.233 | 65% | 0.653 | C | S | . | * | H | α-helix | trans | -84.8 | -18.7 | -173.3 | -53.1 | 0 | 0 | 0 | 0 | 113.3 | T87 S88 T89 L93 Q94 L95 | T87-T91 HydrophobicContact CG2-CG2 4.21Å; S88-T91 PolarHBondContact O-N 2.82Å; T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact O-N 3.03Å; T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 3.09Å; T91-Q94 PolarHBondContact O-N 3.03Å; T91-L95 HydrophobicContact CG2-CD1 3.33Å; T91-L95 VanDerWaalsContact O-CD1 3.26Å; T91-L95 WeakPolarHBondContact O-CD1 3.28Å; T91-L95 PolarHBondContact O-N 3.36Å |
| 92 | C | 52.8 | Low | 54.1 | Low | 92 Ų | 92 | 119.8 Ų | 119.8 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.5 | -32.1 | 175 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 93 | L | 56 | Low | 54.4 | Low | 115 Ų | 115 | 120.5 Ų | 120.5 | 60% | 0.602 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.6 | -41.3 | 173 | -66 | 172.6 | 0 | 0 | 0 | 111.2 | T91 L95 W96 E97 | T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 3.09Å; L93-L95 PolarHBondContact O-N 3.41Å; L93-W96 PolarHBondContact O-N 3.06Å; L93-W96 VanDerWaalsContact O-N 3.11Å; L93-E97 PolarHBondContact O-N 2.76Å |
| 94 | Q | 59.3 | Low | 54.8 | Low | 112 Ų | 112 | 116.7 Ų | 116.7 | 52% | 0.523 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.1 | -32.8 | 175.9 | -98.3 | 153.2 | -107.1 | 0 | 0 | 114.1 | T91 L98 | T91-Q94 PolarHBondContact O-N 3.03Å; Q94-L98 VanDerWaalsContact O-CB 3.3Å; Q94-L98 WeakPolarHBondContact O-CB 3.43Å; Q94-L98 PolarHBondContact O-N 2.81Å |
| 95 | L | 58.9 | Low | 55.1 | Low | 116 Ų | 116 | 117.5 Ų | 117.5 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.5 | -28.3 | 174 | -95.9 | 86.1 | 0 | 0 | 0 | 113.2 | T91 L93 R99 | T91-L95 HydrophobicContact CG2-CD1 3.33Å; T91-L95 VanDerWaalsContact O-CD1 3.26Å; T91-L95 WeakPolarHBondContact O-CD1 3.28Å; T91-L95 PolarHBondContact O-N 3.36Å; L93-L95 PolarHBondContact O-N 3.41Å; L95-R99 WeakPolarHBondContact O-CB 3.23Å; L95-R99 PolarHBondContact O-N 2.85Å |
| 96 | W | 59.4 | Low | 55.2 | Low | 149 Ų | 149 | 119.6 Ų | 119.6 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.3 | -38.8 | 174 | -173.1 | 74.7 | 0 | 0 | 0 | 111.7 | L93 R99 R100 | L93-W96 PolarHBondContact O-N 3.06Å; L93-W96 VanDerWaalsContact O-N 3.11Å; W96-R99 PolarHBondContact O-N 3.02Å; W96-R100 VanDerWaalsContact CH2-NE 3.26Å; W96-R100 VanDerWaalsContact CZ2-CZ 3.42Å; W96-R100 PolarHBondContact O-N 3.42Å; W96-R100 VanDerWaalsContact O-N 3.09Å |
| 97 | E | 61 | Low | 55.5 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.5 | -40.3 | 172.1 | -87.8 | 170.1 | 117.5 | 0 | 0 | 112.8 | L93 R99 R100 | L93-E97 PolarHBondContact O-N 2.76Å; E97-R99 VanDerWaalsContact C-N 3.3Å; E97-R99 PolarHBondContact O-N 3.41Å; E97-R100 PolarHBondContact O-N 3.27Å |
| 98 | L | 53.7 | Low | 55.6 | Low | 139 Ų | 139 | 123.8 Ų | 123.8 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.5 | -19.8 | 179.9 | -154.3 | 67.2 | 0 | 0 | 0 | 113.2 | Q94 | Q94-L98 VanDerWaalsContact O-CB 3.3Å; Q94-L98 WeakPolarHBondContact O-CB 3.43Å; Q94-L98 PolarHBondContact O-N 2.81Å |
| 99 | R | 57.6 | Low | 56.7 | Low | 221 Ų | 221 | 124.9 Ų | 124.9 | 83% | 0.834 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -90.3 | -18.2 | 173 | -161.7 | 162.4 | -140.6 | -95.9 | -2.3 | 113.6 | L95 W96 E97 L101 | L95-R99 WeakPolarHBondContact O-CB 3.23Å; L95-R99 PolarHBondContact O-N 2.85Å; W96-R99 PolarHBondContact O-N 3.02Å; E97-R99 VanDerWaalsContact C-N 3.3Å; E97-R99 PolarHBondContact O-N 3.41Å; R99-L101 VanDerWaalsContact C-N 3.27Å |
| 100 | R | 59.9 | Low | 56.5 | Low | 176 Ų | 176 | 123 Ų | 123 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.3 | -12.7 | 169.7 | -90.2 | -171.4 | -178.7 | -130.9 | -0.9 | 113.5 | W96 E97 | W96-R100 VanDerWaalsContact CH2-NE 3.26Å; W96-R100 VanDerWaalsContact CZ2-CZ 3.42Å; W96-R100 PolarHBondContact O-N 3.42Å; W96-R100 VanDerWaalsContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 3.27Å |
| 101 | L | 59.3 | Low | 57.2 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 73% | 0.728 | 66% | 0.657 | S | S | * | * | trans | -110.6 | 44.5 | -179.8 | -147.4 | 76.8 | 0 | 0 | 0 | 113.1 | R99 P103 | R99-L101 VanDerWaalsContact C-N 3.27Å; L101-P103 WeakPolarHBondContact O-CD 3.47Å | ||
| 102 | Q | 54.8 | Low | 57.3 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | trans | -102.1 | 99.6 | 152.9 | -77 | -80.5 | 40.7 | 0 | 0 | 107.2 | G104 | Q102-G104 PolarHBondContact O-N 2.89Å; Q102-G104 VanDerWaalsContact O-N 3.1Å | ||
| 103 | P | 55.7 | Low | 57.5 | Low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | trans | -56.9 | 119.1 | 160 | 25.3 | -31 | 0 | 0 | 0 | 106.5 | L101 | L101-P103 WeakPolarHBondContact O-CD 3.47Š| ||
| 104 | G | 57.8 | Low | 57.1 | Low | 52 Ų | 52 | 131.3 Ų | 131.3 | 54% | 0.536 | 70% | 0.696 | S | S | . | * | trans | -51.9 | 149.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q102 L106 | Q102-G104 PolarHBondContact O-N 2.89Å; Q102-G104 VanDerWaalsContact O-N 3.1Å; G104-L106 PolarHBondContact O-N 3.27Å | ||
| 105 | P | 58.2 | Low | 57.2 | Low | 132 Ų | 132 | 130.4 Ų | 130.4 | 86% | 0.857 | 70% | 0.698 | S | S | * | * | trans | -57.5 | 107.5 | 176.5 | 23.6 | -31.8 | 0 | 0 | 0 | 108.7 | Y107 | P105-Y107 PolarHBondContact O-N 2.69Š| ||
| 106 | L | 56.9 | Low | 57 | Low | 145 Ų | 145 | 131.5 Ų | 131.5 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -62 | 105.7 | 160.9 | -88.2 | 115.1 | 0 | 0 | 0 | 105.8 | G104 | G104-L106 PolarHBondContact O-N 3.27Š| ||
| 107 | Y | 54.6 | Low | 56.8 | Low | 174 Ų | 174 | 131.3 Ų | 131.3 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | trans | -38.3 | 132.4 | 166.9 | 62.6 | -82 | 0 | 0 | 0 | 111.2 | P105 T109 | P105-Y107 PolarHBondContact O-N 2.69Å; Y107-T109 HydrophobicContact CD2-CG2 4.19Å; Y107-T109 HydrophobicContact CE2-CG2 3.85Å | ||
| 108 | P | 57.1 | Low | 56.7 | Low | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | trans | -82.8 | 110.1 | 151.6 | 27.2 | -26.3 | 0 | 0 | 0 | 108.2 | A110 | P108-A110 PolarHBondContact O-N 2.92Š| ||
| 109 | T | 60.1 | Low | 56.8 | Low | 105 Ų | 105 | 129.4 Ų | 129.4 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | trans | -65.9 | 93.6 | 164.6 | 163.9 | 0 | 0 | 0 | 0 | 108.9 | Y107 | Y107-T109 HydrophobicContact CD2-CG2 4.19Å; Y107-T109 HydrophobicContact CE2-CG2 3.85Å | ||
| 110 | A | 48.6 | Very low | 56.7 | Low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | trans | -97.8 | 86.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P108 P112 | P108-A110 PolarHBondContact O-N 2.92Å; A110-P112 VanDerWaalsContact O-CD 3.23Å; A110-P112 WeakPolarHBondContact O-CD 3.49Å | ||
| 111 | T | 62.2 | Low | 57 | Low | 119 Ų | 119 | 124.6 Ų | 124.6 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | -93.8 | 103.1 | 158.8 | 48.2 | 0 | 0 | 0 | 0 | 109 | H113 | T111-H113 PolarHBondContact O-N 2.99Š| ||
| 112 | P | 58.8 | Low | 56.8 | Low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -85.7 | 90.2 | 154 | 31.4 | -28.5 | 0 | 0 | 0 | 108.1 | A110 C114 | A110-P112 VanDerWaalsContact O-CD 3.23Å; A110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-C114 PolarHBondContact O-N 2.99Å | ||
| 113 | H | 57.3 | Low | 56.9 | Low | 151 Ų | 151 | 128.3 Ų | 128.3 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -69.5 | 89.5 | 153.8 | 177.3 | -86.3 | 0 | 0 | 0 | 107.1 | T111 T115 | T111-H113 PolarHBondContact O-N 2.99Å; H113-T115 WeakPolarHBondContact CE1-CG2 3.45Å; H113-T115 PolarHBondContact CE1-OG1 3.38Å; H113-T115 PolarHBondContact ND1-OG1 2.97Å | ||
| 114 | C | 48.8 | Very low | 56.9 | Low | 120 Ų | 120 | 129.8 Ų | 129.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -100.1 | 86.2 | 161.5 | -128.9 | 0 | 0 | 0 | 0 | 107.1 | P112 | P112-C114 PolarHBondContact O-N 2.99Š| ||
| 115 | T | 61.6 | Low | 56.9 | Low | 93 Ų | 93 | 134.1 Ų | 134.1 | 57% | 0.571 | 78% | 0.783 | S | S | * | * | trans | -58.6 | 152.1 | 147.8 | 30.6 | 0 | 0 | 0 | 0 | 109.5 | H113 | H113-T115 WeakPolarHBondContact CE1-CG2 3.45Å; H113-T115 PolarHBondContact CE1-OG1 3.38Å; H113-T115 PolarHBondContact ND1-OG1 2.97Å | ||
| 116 | D | 53.8 | Low | 56.8 | Low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 93.6 | 121.9 | 167.5 | -146.3 | -102.1 | 0 | 0 | 0 | 114.4 | ||||
| 117 | L | 55.8 | Low | 56.8 | Low | 144 Ų | 144 | 133.6 Ų | 133.6 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | cis | -174.4 | -159.8 | -0.6 | -156.7 | 72 | 0 | 0 | 0 | 106.9 | ||||
| 118 | P | 58.8 | Low | 56.9 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | -106 | 172.9 | -114.7 | 40.7 | -23.9 | 0 | 0 | 0 | 117 | |||||
| 119 | S | 54.5 | Low | 56.9 | Low | 120 Ų | 120 | 131.5 Ų | 131.5 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 46.8 | 114.9 | 145.7 | -70.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 120 | A | 55.6 | Low | 56.7 | Low | 107 Ų | 107 | 133.5 Ų | 133.5 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -155.2 | 130.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 121 | Q | 65.9 | Low | 57.4 | Low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -59.9 | 147.4 | 179.9 | -60 | -96.9 | 67.5 | 0 | 0 | 113.4 | ||||
| 122 | L | 55.4 | Low | 56.9 | Low | 246 Ų | 246 | 138.8 Ų | 138.8 | 100% | 1.288 | 81% | 0.808 | S | S | * | * | trans | -147 | 0 | 135.8 | -154.3 | 72.4 | 0 | 0 | 0 | 110.9 |
Retrieved 122 of 122 residues in 41.1 ms
(Link to these results)