| 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 | 37.3 | Very low | 63.9 | Low | 245 Ų | 245 | 108.5 Ų | 108.5 | 100% | 1.207 | 56% | 0.558 | S | S | * | * | 0 | 109 | 0 | -63.3 | 115.2 | 116.1 | 0 | 0 | 107.5 | |||||
| 2 | K | 50.3 | Low | 65 | Low | 204 Ų | 204 | 116.8 Ų | 116.8 | 89% | 0.887 | 58% | 0.577 | S | S | * | * | trans | -83.8 | 118.4 | 179.8 | -164.1 | 111.1 | 112.9 | 177.3 | 0 | 105.6 | D4 | K2-D4 PolarHBondContact O-N 2.66Š| ||
| 3 | G | 43.8 | Very low | 66.1 | Low | 61 Ų | 61 | 114.9 Ų | 114.9 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | trans | -53.9 | 127.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G5 | G3-G5 PolarHBondContact O-N 3.1Š| ||
| 4 | D | 54.5 | Low | 67.2 | Low | 165 Ų | 165 | 108 Ų | 108 | 88% | 0.882 | 54% | 0.538 | S | S | * | . | trans | -71.7 | 60.5 | 168.4 | -62.4 | -66 | 0 | 0 | 0 | 110.5 | K2 | K2-D4 PolarHBondContact O-N 2.66Š| ||
| 5 | G | 58.3 | Low | 67.9 | Low | 30 Ų | 30 | 104.3 Ų | 104.3 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | trans | -123 | 110 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G3 L13 | G3-G5 PolarHBondContact O-N 3.1Å; G5-L13 WeakPolarHBondContact O-CD2 3.47Å | ||
| 6 | G | 72.8 | Confident | 68.5 | Low | 16 Ų | 16 | 108.6 Ų | 108.6 | 17% | 0.165 | 54% | 0.544 | C | S | . | . | trans | -70.8 | 172 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L8 F9 F26 | G6-L8 PolarHBondContact O-N 3.21Å; G6-L8 VanDerWaalsContact O-N 3.1Å; G6-F9 PolarHBondContact O-N 3.15Å; G6-F26 CarbonylContact C-O 3.52Å; G6-F26 WeakPolarHBondContact CA-O 3.43Å | ||
| 7 | C | 82.6 | Confident | 68.7 | Low | 2 Ų | 2 | 109.4 Ų | 109.4 | 1% | 0.014 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -10.2 | -168.5 | 63.3 | 0 | 0 | 0 | 0 | 115.5 | D10 R11 C14 C20 F26 G27 Q28 C29 | C7-D10 CarbonylContact O-C 3.42Å; C7-R11 PolarHBondContact O-N 3.33Å; C7-C14 WeakPolarHBondContact CB-SG 3.35Å; C7-C20 HydrophobicContact CB-CB 3.67Å; C7-C20 WeakPolarHBondContact CB-SG 3.42Å; C7-C20 PolarHBondContact O-SG 3.29Å; C7-C20 VanDerWaalsContact O-SG 3.34Å; C7-C20 WeakPolarHBondContact SG-CA 3.47Å; C7-C20 WeakPolarHBondContact SG-CB 3.39Å; C7-C20 CovalentContact SG-SG 2.03Å; C7-C20 PolarHBondContact SG-SG 2.71Å; C7-F26 PolarHBondContact N-O 2.97Å; C7-G27 PolarHBondContact N-O 2.9Å; C7-G27 PolarHBondContact SG-O 2.86Å; C7-G27 VanDerWaalsContact SG-O 3.39Å; C7-Q28 PolarHBondContact SG-N 3.42Å; C7-Q28 VanDerWaalsContact SG-N 3.44Å; C7-C29 VanDerWaalsContact CB-SG 3.58Å |
| 8 | L | 79.8 | Confident | 69.3 | Low | 69 Ų | 69 | 107.6 Ų | 107.6 | 36% | 0.361 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31.3 | 171.3 | -71.3 | 169.1 | 0 | 0 | 0 | 111.3 | G6 C20 Q22 F26 | G6-L8 PolarHBondContact O-N 3.21Å; G6-L8 VanDerWaalsContact O-N 3.1Å; L8-C20 PolarHBondContact N-SG 3.04Å; L8-C20 VanDerWaalsContact N-SG 3.37Å; L8-Q22 HydrophobicContact CD1-CB 4.29Å; L8-Q22 HydrophobicContact CD1-CG 3.8Å; L8-Q22 HydrophobicContact CD2-CB 4.01Å; L8-Q22 HydrophobicContact CD2-CG 4.16Å; L8-F26 VanDerWaalsContact CB-O 3.25Å; L8-F26 WeakPolarHBondContact CB-O 3.48Å; L8-F26 WeakPolarHBondContact CG-O 3.47Å; L8-F26 PolarHBondContact N-O 3.33Å |
| 9 | F | 75.4 | Confident | 70 | Confident | 149 Ų | 149 | 104.7 Ų | 104.7 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -38.7 | -179.9 | -69.9 | -86.2 | 0 | 0 | 0 | 111.7 | G6 F26 | G6-F9 PolarHBondContact O-N 3.15Å; F9-F26 AromaticContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CE1 4.29Å; F9-F26 AromaticContact CE2-CD1 3.29Å; F9-F26 HydrophobicContact CE2-CD1 3.29Å; F9-F26 AromaticContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CG 4.17Å; F9-F26 HydrophobicContact CZ-CD1 4.27Å; F9-F26 HydrophobicContact CZ-CE1 4.28Å |
| 10 | D | 77.6 | Confident | 70.7 | Confident | 49 Ų | 49 | 101.2 Ų | 101.2 | 26% | 0.262 | 51% | 0.512 | S | S | . | . | trans | -145.8 | 112.7 | 172.9 | -176.3 | -6.7 | 0 | 0 | 0 | 111.4 | C7 R12 L13 | C7-D10 CarbonylContact O-C 3.42Å; D10-R12 PolarHBondContact O-N 3.23Å; D10-R12 VanDerWaalsContact O-N 3.17Å; D10-R12 WeakPolarHBondContact OD1-CB 3.42Å; D10-R12 VanDerWaalsContact OD1-CG 3.29Å; D10-R12 WeakPolarHBondContact OD1-CG 3.25Å; D10-R12 IonicContact OD1-CZ 3.77Å; D10-R12 PolarHBondContact OD1-N 3.22Å; D10-R12 IonicContact OD1-NE 2.95Å; D10-R12 PolarHBondContact OD1-NE 3.14Å; D10-R12 IonicContact OD1-NH2 3.76Å; D10-R12 IonicContact OD2-CZ 3.32Å; D10-R12 VanDerWaalsContact OD2-CZ 3.32Å; D10-R12 IonicContact OD2-NE 3.03Å; D10-R12 PolarHBondContact OD2-NE 3.32Å; D10-R12 IonicContact OD2-NH2 2.75Å; D10-R12 PolarHBondContact OD2-NH2 2.99Å; D10-L13 HydrophobicContact CB-CD1 3.47Å; D10-L13 VanDerWaalsContact CB-CD1 3.47Å; D10-L13 WeakPolarHBondContact O-CB 3.31Å; D10-L13 WeakPolarHBondContact O-CD1 3.33Å; D10-L13 PolarHBondContact O-N 2.9Å; D10-L13 VanDerWaalsContact O-N 3.12Å | ||
| 11 | R | 70.4 | Confident | 71.2 | Confident | 203 Ų | 203 | 100 Ų | 100 | 77% | 0.766 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -66.6 | -13 | 179.8 | -74.2 | -177.7 | 168 | -173.4 | -3.9 | 113.5 | C7 L13 C14 | C7-R11 PolarHBondContact O-N 3.33Å; R11-L13 PolarHBondContact O-N 2.89Å; R11-C14 PolarHBondContact O-N 3.2Å |
| 12 | R | 77.6 | Confident | 73.3 | Confident | 208 Ų | 208 | 95.4 Ų | 95.4 | 79% | 0.785 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -74.7 | -9.4 | 174.2 | -58.8 | 173.2 | -70.2 | -157.9 | 1.8 | 112.6 | D10 C14 | D10-R12 PolarHBondContact O-N 3.23Å; D10-R12 VanDerWaalsContact O-N 3.17Å; D10-R12 WeakPolarHBondContact OD1-CB 3.42Å; D10-R12 VanDerWaalsContact OD1-CG 3.29Å; D10-R12 WeakPolarHBondContact OD1-CG 3.25Å; D10-R12 IonicContact OD1-CZ 3.77Å; D10-R12 PolarHBondContact OD1-N 3.22Å; D10-R12 IonicContact OD1-NE 2.95Å; D10-R12 PolarHBondContact OD1-NE 3.14Å; D10-R12 IonicContact OD1-NH2 3.76Å; D10-R12 IonicContact OD2-CZ 3.32Å; D10-R12 VanDerWaalsContact OD2-CZ 3.32Å; D10-R12 IonicContact OD2-NE 3.03Å; D10-R12 PolarHBondContact OD2-NE 3.32Å; D10-R12 IonicContact OD2-NH2 2.75Å; D10-R12 PolarHBondContact OD2-NH2 2.99Å; R12-C14 VanDerWaalsContact C-N 3.31Å |
| 13 | L | 79.3 | Confident | 74.3 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -71.6 | -27.2 | 170.3 | -80.1 | 100.7 | 0 | 0 | 0 | 112.7 | G5 D10 R11 | G5-L13 WeakPolarHBondContact O-CD2 3.47Å; D10-L13 HydrophobicContact CB-CD1 3.47Å; D10-L13 VanDerWaalsContact CB-CD1 3.47Å; D10-L13 WeakPolarHBondContact O-CB 3.31Å; D10-L13 WeakPolarHBondContact O-CD1 3.33Å; D10-L13 PolarHBondContact O-N 2.9Å; D10-L13 VanDerWaalsContact O-N 3.12Å; R11-L13 PolarHBondContact O-N 2.89Å |
| 14 | C | 82 | Confident | 75.3 | Confident | 18 Ų | 18 | 89.9 Ų | 89.9 | 12% | 0.122 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -81.4 | 144.2 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | C7 R11 R12 E18 C29 | C7-C14 WeakPolarHBondContact CB-SG 3.35Å; R11-C14 PolarHBondContact O-N 3.2Å; R12-C14 VanDerWaalsContact C-N 3.31Å; C14-E18 HydrophobicContact CB-CB 3.96Å; C14-C29 WeakPolarHBondContact CA-SG 3.32Å; C14-C29 HydrophobicContact CB-CB 3.88Å; C14-C29 WeakPolarHBondContact CB-SG 3.44Å; C14-C29 VanDerWaalsContact SG-CA 3.56Å; C14-C29 WeakPolarHBondContact SG-CB 3.48Å; C14-C29 CovalentContact SG-SG 2.04Å; C14-C29 PolarHBondContact SG-SG 3.2Å |
| 15 | S | 77.7 | Confident | 76.3 | Confident | 52 Ų | 52 | 87.8 Ų | 87.8 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | trans | -60.7 | 156.1 | 167.2 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | L17 E18 | S15-L17 PolarHBondContact O-N 2.7Å; S15-E18 WeakPolarHBondContact CB-OE2 3.36Å; S15-E18 PolarHBondContact N-OE2 2.98Å; S15-E18 PolarHBondContact O-N 2.89Å | ||
| 16 | H | 76.1 | Confident | 77 | Confident | 174 Ų | 174 | 90.6 Ų | 90.6 | 81% | 0.806 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.5 | 176.5 | 56.4 | -82.8 | 0 | 0 | 0 | 113.4 | ||
| 17 | L | 72.3 | Confident | 77.4 | Confident | 122 Ų | 122 | 90.2 Ų | 90.2 | 64% | 0.639 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.5 | 174.9 | -61.7 | 175.1 | 0 | 0 | 0 | 113.1 | S15 G32 | S15-L17 PolarHBondContact O-N 2.7Å; L17-G32 VanDerWaalsContact O-CA 3.28Å; L17-G32 WeakPolarHBondContact O-CA 3.33Å; L17-G32 PolarHBondContact O-N 3.26Å |
| 18 | E | 80.6 | Confident | 77.3 | Confident | 76 Ų | 76 | 96 Ų | 96 | 36% | 0.355 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 149.7 | -175.4 | -68.7 | 172.9 | 152.8 | 0 | 0 | 111.2 | C14 S15 C29 Q30 | C14-E18 HydrophobicContact CB-CB 3.96Å; S15-E18 WeakPolarHBondContact CB-OE2 3.36Å; S15-E18 PolarHBondContact N-OE2 2.98Å; S15-E18 PolarHBondContact O-N 2.89Å; E18-C29 HydrophobicContact CB-CB 4.16Å; E18-Q30 CarbonylContact C-O 2.86Å; E18-Q30 WeakPolarHBondContact CA-O 3.28Å; E18-Q30 WeakPolarHBondContact CB-O 3.21Å |
| 19 | V | 81.6 | Confident | 77.5 | Confident | 53 Ų | 53 | 94.9 Ų | 94.9 | 32% | 0.321 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.1 | 171.9 | -66.4 | 0 | 0 | 0 | 0 | 109 | I21 Q30 | V19-I21 HydrophobicContact CG2-CD1 3.83Å; V19-I21 HydrophobicContact CG2-CG1 4.33Å; V19-Q30 PolarHBondContact N-O 2.93Å; V19-Q30 PolarHBondContact O-N 3.26Å |
| 20 | C | 84.8 | Confident | 77.5 | Confident | 34 Ų | 34 | 93 Ų | 93 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.9 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | C7 L8 | C7-C20 HydrophobicContact CB-CB 3.67Å; C7-C20 WeakPolarHBondContact CB-SG 3.42Å; C7-C20 PolarHBondContact O-SG 3.29Å; C7-C20 VanDerWaalsContact O-SG 3.34Å; C7-C20 WeakPolarHBondContact SG-CA 3.47Å; C7-C20 WeakPolarHBondContact SG-CB 3.39Å; C7-C20 CovalentContact SG-SG 2.03Å; C7-C20 PolarHBondContact SG-SG 2.71Å; L8-C20 PolarHBondContact N-SG 3.04Å; L8-C20 VanDerWaalsContact N-SG 3.37Å |
| 21 | I | 81.2 | Confident | 77.5 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 40% | 0.395 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.9 | 176.6 | -55.2 | -59 | 0 | 0 | 0 | 108.9 | V19 D23 G27 Q28 Q30 | V19-I21 HydrophobicContact CG2-CD1 3.83Å; V19-I21 HydrophobicContact CG2-CG1 4.33Å; I21-D23 PolarHBondContact O-N 3.43Å; I21-G27 CarbonylContact O-C 3.44Å; I21-G27 WeakPolarHBondContact O-CA 3.41Å; I21-Q28 PolarHBondContact N-O 3.48Å; I21-Q28 PolarHBondContact O-N 2.98Å; I21-Q30 HydrophobicContact CG1-CB 3.99Å |
| 22 | Q | 81.4 | Confident | 77.2 | Confident | 149 Ų | 149 | 83.6 Ų | 83.6 | 70% | 0.696 | 44% | 0.442 | S | S | * | . | trans | -76.5 | 106.8 | 176.1 | -174.5 | 167.6 | 87 | 0 | 0 | 109.8 | L8 | L8-Q22 HydrophobicContact CD1-CB 4.29Å; L8-Q22 HydrophobicContact CD1-CG 3.8Å; L8-Q22 HydrophobicContact CD2-CB 4.01Å; L8-Q22 HydrophobicContact CD2-CG 4.16Å | ||
| 23 | D | 70.9 | Confident | 76.3 | Confident | 83 Ų | 83 | 80.3 Ų | 80.3 | 44% | 0.444 | 45% | 0.445 | S | S | . | . | trans | -93.5 | 5.1 | 176.2 | 66.2 | -20 | 0 | 0 | 0 | 113 | I21 F26 G27 Q28 | I21-D23 PolarHBondContact O-N 3.43Å; D23-F26 PolarHBondContact OD1-N 3.44Å; D23-G27 WeakPolarHBondContact OD1-CA 3.3Å; D23-G27 PolarHBondContact OD1-N 2.91Å; D23-Q28 WeakPolarHBondContact OD2-CG 3.36Å; D23-Q28 PolarHBondContact OD2-NE2 2.89Å | ||
| 24 | G | 65.8 | Low | 75.1 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 67% | 0.67 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 100.2 | -2.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 25 | L | 74.1 | Confident | 73.8 | Confident | 122 Ų | 122 | 84.4 Ų | 84.4 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -139.6 | -56.8 | 178.8 | -158.7 | 67.7 | 0 | 0 | 0 | 113.8 | ||
| 26 | F | 73.4 | Confident | 72.6 | Confident | 89 Ų | 89 | 84.7 Ų | 84.7 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -128.9 | -21.2 | -171.4 | -74.6 | -76.4 | 0 | 0 | 0 | 113.1 | G6 C7 L8 F9 D23 | G6-F26 CarbonylContact C-O 3.52Å; G6-F26 WeakPolarHBondContact CA-O 3.43Å; C7-F26 PolarHBondContact N-O 2.97Å; L8-F26 VanDerWaalsContact CB-O 3.25Å; L8-F26 WeakPolarHBondContact CB-O 3.48Å; L8-F26 WeakPolarHBondContact CG-O 3.47Å; L8-F26 PolarHBondContact N-O 3.33Å; F9-F26 AromaticContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CD1 3.66Å; F9-F26 HydrophobicContact CD2-CE1 4.29Å; F9-F26 AromaticContact CE2-CD1 3.29Å; F9-F26 HydrophobicContact CE2-CD1 3.29Å; F9-F26 AromaticContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CE1 3.7Å; F9-F26 HydrophobicContact CE2-CG 4.17Å; F9-F26 HydrophobicContact CZ-CD1 4.27Å; F9-F26 HydrophobicContact CZ-CE1 4.28Å; D23-F26 PolarHBondContact OD1-N 3.44Å |
| 27 | G | 81.2 | Confident | 71.5 | Confident | 7 Ų | 7 | 86.6 Ų | 86.6 | 7% | 0.072 | 48% | 0.478 | C | S | . | . | trans | 80.5 | 141.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C7 I21 D23 | C7-G27 PolarHBondContact N-O 2.9Å; C7-G27 PolarHBondContact SG-O 2.86Å; C7-G27 VanDerWaalsContact SG-O 3.39Å; I21-G27 CarbonylContact O-C 3.44Å; I21-G27 WeakPolarHBondContact O-CA 3.41Å; D23-G27 WeakPolarHBondContact OD1-CA 3.3Å; D23-G27 PolarHBondContact OD1-N 2.91Å | ||
| 28 | Q | 81.1 | Confident | 70.7 | Confident | 124 Ų | 124 | 84.4 Ų | 84.4 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.5 | 177.8 | -67.4 | 179.9 | 17.8 | 0 | 0 | 111.1 | C7 I21 D23 Q30 | C7-Q28 PolarHBondContact SG-N 3.42Å; C7-Q28 VanDerWaalsContact SG-N 3.44Å; I21-Q28 PolarHBondContact N-O 3.48Å; I21-Q28 PolarHBondContact O-N 2.98Å; D23-Q28 WeakPolarHBondContact OD2-CG 3.36Å; D23-Q28 PolarHBondContact OD2-NE2 2.89Å; Q28-Q30 PolarHBondContact O-N 3.47Å |
| 29 | C | 82.9 | Confident | 69.8 | Low | 46 Ų | 46 | 86.2 Ų | 86.2 | 31% | 0.311 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 117.3 | 169.4 | -58.8 | 0 | 0 | 0 | 0 | 108.3 | C7 C14 E18 | C7-C29 VanDerWaalsContact CB-SG 3.58Å; C14-C29 WeakPolarHBondContact CA-SG 3.32Å; C14-C29 HydrophobicContact CB-CB 3.88Å; C14-C29 WeakPolarHBondContact CB-SG 3.44Å; C14-C29 VanDerWaalsContact SG-CA 3.56Å; C14-C29 WeakPolarHBondContact SG-CB 3.48Å; C14-C29 CovalentContact SG-SG 2.04Å; C14-C29 PolarHBondContact SG-SG 3.2Å; E18-C29 HydrophobicContact CB-CB 4.16Å |
| 30 | Q | 76.7 | Confident | 69.1 | Low | 110 Ų | 110 | 85.9 Ų | 85.9 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.2 | 173.1 | -174 | 165.2 | 77.7 | 0 | 0 | 108.6 | E18 V19 I21 Q28 G32 | E18-Q30 CarbonylContact C-O 2.86Å; E18-Q30 WeakPolarHBondContact CA-O 3.28Å; E18-Q30 WeakPolarHBondContact CB-O 3.21Å; V19-Q30 PolarHBondContact N-O 2.93Å; V19-Q30 PolarHBondContact O-N 3.26Å; I21-Q30 HydrophobicContact CG1-CB 3.99Å; Q28-Q30 PolarHBondContact O-N 3.47Å; Q30-G32 PolarHBondContact O-N 3.31Å; Q30-G32 VanDerWaalsContact O-N 3.11Å |
| 31 | A | 76.3 | Confident | 68.2 | Low | 44 Ų | 44 | 88.8 Ų | 88.8 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 124.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q35 | A31-Q35 HydrophobicContact CB-CB 3.92Å |
| 32 | G | 65.1 | Low | 67.7 | Low | 10 Ų | 10 | 88.8 Ų | 88.8 | 10% | 0.103 | 49% | 0.493 | C | S | . | . | trans | -59.1 | 165.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L17 Q30 G34 Q35 | L17-G32 VanDerWaalsContact O-CA 3.28Å; L17-G32 WeakPolarHBondContact O-CA 3.33Å; L17-G32 PolarHBondContact O-N 3.26Å; Q30-G32 PolarHBondContact O-N 3.31Å; Q30-G32 VanDerWaalsContact O-N 3.11Å; G32-G34 PolarHBondContact O-N 2.98Å; G32-Q35 PolarHBondContact O-N 3.4Å | ||
| 33 | V | 57.5 | Low | 67.4 | Low | 138 Ų | 138 | 84.3 Ų | 84.3 | 84% | 0.836 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -1.4 | -168 | -169.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 34 | G | 54.2 | Low | 67.9 | Low | 49 Ų | 49 | 84.5 Ų | 84.5 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -12.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | G32 | G32-G34 PolarHBondContact O-N 2.98Š|
| 35 | Q | 55 | Low | 68.6 | Low | 148 Ų | 148 | 85.6 Ų | 85.6 | 69% | 0.692 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | -10.5 | -174.5 | -68 | -71.6 | 62.3 | 0 | 0 | 115.2 | A31 G32 | A31-Q35 HydrophobicContact CB-CB 3.92Å; G32-Q35 PolarHBondContact O-N 3.4Å |
| 36 | A | 53.1 | Low | 69.1 | Low | 58 Ų | 58 | 81.1 Ų | 81.1 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -100.4 | -1.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 37 | R | 52.9 | Low | 69.6 | Low | 214 Ų | 214 | 81.1 Ų | 81.1 | 81% | 0.808 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -138.9 | 120.2 | 171.3 | -67 | -171.1 | -179.2 | -138.3 | -1.2 | 109.1 | L39 | R37-L39 PolarHBondContact O-N 2.92Š|
| 38 | P | 55.8 | Low | 69.9 | Low | 77 Ų | 77 | 86 Ų | 86 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | trans | -58.9 | 117.8 | 166.6 | -12.6 | 25.8 | 0 | 0 | 0 | 106.6 | L40 R82 | P38-L40 HydrophobicContact CB-CD1 4.2Å; P38-L40 WeakPolarHBondContact O-CD1 3.39Å; P38-L40 PolarHBondContact O-N 2.7Å; P38-R82 HydrophobicContact CB-CG 4.48Å | ||
| 39 | L | 61.1 | Low | 70.3 | Confident | 114 Ų | 114 | 87.9 Ų | 87.9 | 60% | 0.597 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 112 | 166.8 | -89.5 | 100.5 | 0 | 0 | 0 | 106.5 | R37 L83 | R37-L39 PolarHBondContact O-N 2.92Å; L39-L83 HydrophobicContact CB-CB 3.97Å; L39-L83 HydrophobicContact CB-CD1 4.06Å; L39-L83 HydrophobicContact CB-CG 4.49Å; L39-L83 VanDerWaalsContact O-CB 3.25Å; L39-L83 WeakPolarHBondContact O-CB 3.46Å; L39-L83 PolarHBondContact O-N 2.88Å |
| 40 | L | 65.9 | Low | 70.6 | Confident | 45 Ų | 45 | 87.3 Ų | 87.3 | 24% | 0.236 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.1 | 173.2 | -85.5 | 68.7 | 0 | 0 | 0 | 108.7 | P38 V42 M77 I80 | P38-L40 HydrophobicContact CB-CD1 4.2Å; P38-L40 WeakPolarHBondContact O-CD1 3.39Å; P38-L40 PolarHBondContact O-N 2.7Å; L40-V42 VanDerWaalsContact C-N 3.29Å; L40-V42 HydrophobicContact CB-CG2 3.93Å; L40-V42 PolarHBondContact O-N 3.01Å; L40-M77 HydrophobicContact CD2-CE 3.67Å; L40-I80 HydrophobicContact CB-CG2 3.84Å; L40-I80 HydrophobicContact CD2-CB 3.79Å; L40-I80 HydrophobicContact CD2-CD1 3.76Å; L40-I80 HydrophobicContact CD2-CG1 4.29Å; L40-I80 HydrophobicContact CD2-CG2 3.79Å; L40-I80 HydrophobicContact CG-CB 4.22Å; L40-I80 HydrophobicContact CG-CG2 3.88Å |
| 41 | Q | 66.3 | Low | 71.2 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | trans | -80.5 | 84.4 | 169.8 | -152.6 | -177.7 | -0.6 | 0 | 0 | 109.2 | T43 P81 L83 | Q41-T43 VanDerWaalsContact C-N 3.28Å; Q41-T43 HydrophobicContact CG-CG2 3.97Å; Q41-T43 PolarHBondContact O-N 3.33Å; Q41-P81 PolarHBondContact N-O 3.17Å; Q41-L83 HydrophobicContact CB-CD1 4.19Å; Q41-L83 HydrophobicContact CB-CD2 3.8Å; Q41-L83 HydrophobicContact CB-CG 3.82Å; Q41-L83 HydrophobicContact CG-CD1 4.24Å; Q41-L83 HydrophobicContact CG-CD2 3.82Å; Q41-L83 HydrophobicContact CG-CG 4.2Å | ||
| 42 | V | 71 | Confident | 72 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | trans | -78.8 | 83 | 177.1 | -175 | 0 | 0 | 0 | 0 | 108.4 | L40 L47 | L40-V42 VanDerWaalsContact C-N 3.29Å; L40-V42 HydrophobicContact CB-CG2 3.93Å; L40-V42 PolarHBondContact O-N 3.01Å; V42-L47 HydrophobicContact CG1-CD1 3.71Å; V42-L47 HydrophobicContact CG1-CD2 3.48Å; V42-L47 VanDerWaalsContact CG1-CD2 3.48Å; V42-L47 HydrophobicContact CG1-CG 3.32Å | ||
| 43 | T | 74.9 | Confident | 73.4 | Confident | 54 Ų | 54 | 86.6 Ų | 86.6 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | trans | -79.3 | 156.7 | 172.7 | 60 | 0 | 0 | 0 | 0 | 110.1 | Q41 P45 V46 L47 | Q41-T43 VanDerWaalsContact C-N 3.28Å; Q41-T43 HydrophobicContact CG-CG2 3.97Å; Q41-T43 PolarHBondContact O-N 3.33Å; T43-P45 VanDerWaalsContact C-CD 3.44Å; T43-P45 VanDerWaalsContact C-N 3.32Å; T43-P45 WeakPolarHBondContact OG1-CG 3.48Å; T43-V46 WeakPolarHBondContact O-CB 3.24Å; T43-V46 PolarHBondContact O-N 3.43Å; T43-V46 WeakPolarHBondContact OG1-CG2 3.49Å; T43-L47 PolarHBondContact O-N 3.11Å; T43-L47 VanDerWaalsContact O-N 3.16Å | ||
| 44 | S | 80.9 | Confident | 75.1 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -44.7 | -46.5 | 175.2 | -177 | 0 | 0 | 0 | 0 | 114.4 | V46 L47 Q48 | S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.46Å; S44-L47 PolarHBondContact O-N 3.39Å; S44-Q48 WeakPolarHBondContact O-CG 3.46Å; S44-Q48 PolarHBondContact O-N 2.95Å |
| 45 | P | 81.5 | Confident | 77 | Confident | 88 Ų | 88 | 85.5 Ų | 85.5 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.8 | -29.7 | 177.6 | 24.4 | -35.2 | 0 | 0 | 0 | 114.2 | T43 R49 | T43-P45 VanDerWaalsContact C-CD 3.44Å; T43-P45 VanDerWaalsContact C-N 3.32Å; T43-P45 WeakPolarHBondContact OG1-CG 3.48Å; P45-R49 PolarHBondContact O-N 3.38Å |
| 46 | V | 84.6 | Confident | 78.9 | Confident | 28 Ų | 28 | 84.5 Ų | 84.5 | 17% | 0.17 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | T43 S44 R49 L50 I80 | T43-V46 WeakPolarHBondContact O-CB 3.24Å; T43-V46 PolarHBondContact O-N 3.43Å; T43-V46 WeakPolarHBondContact OG1-CG2 3.49Å; S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.46Å; V46-R49 PolarHBondContact O-N 2.86Å; V46-L50 PolarHBondContact O-N 2.98Å; V46-I80 HydrophobicContact CG1-CB 4.26Å; V46-I80 HydrophobicContact CG1-CD1 3.61Å; V46-I80 HydrophobicContact CG1-CG1 3.54Å; V46-I80 HydrophobicContact CG1-CG2 3.93Å |
| 47 | L | 83.1 | Confident | 80.9 | Confident | 90 Ų | 90 | 82.5 Ų | 82.5 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.9 | -77.3 | 167.1 | 0 | 0 | 0 | 112.1 | V42 T43 S44 R49 L50 Q51 | V42-L47 HydrophobicContact CG1-CD1 3.71Å; V42-L47 HydrophobicContact CG1-CD2 3.48Å; V42-L47 VanDerWaalsContact CG1-CD2 3.48Å; V42-L47 HydrophobicContact CG1-CG 3.32Å; T43-L47 PolarHBondContact O-N 3.11Å; T43-L47 VanDerWaalsContact O-N 3.16Å; S44-L47 PolarHBondContact O-N 3.39Å; L47-R49 VanDerWaalsContact C-N 3.25Å; L47-R49 PolarHBondContact O-N 3.42Å; L47-L50 PolarHBondContact O-N 3.28Å; L47-Q51 VanDerWaalsContact O-CB 3.27Å; L47-Q51 WeakPolarHBondContact O-CB 3.5Å; L47-Q51 PolarHBondContact O-N 3.25Å |
| 48 | Q | 87.2 | Confident | 82.7 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 178.5 | -75.4 | -64.2 | -29.3 | 0 | 0 | 111.7 | S44 G52 | S44-Q48 WeakPolarHBondContact O-CG 3.46Å; S44-Q48 PolarHBondContact O-N 2.95Å; Q48-G52 PolarHBondContact O-N 3.35Å |
| 49 | R | 89.3 | Confident | 84.6 | Confident | 165 Ų | 165 | 79.4 Ų | 79.4 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.2 | -51.4 | 176.9 | -166.6 | -175.7 | -67.1 | -84.3 | -1.8 | 111.7 | P45 V46 L47 Q51 G52 V53 E76 | P45-R49 PolarHBondContact O-N 3.38Å; V46-R49 PolarHBondContact O-N 2.86Å; L47-R49 VanDerWaalsContact C-N 3.25Å; L47-R49 PolarHBondContact O-N 3.42Å; R49-Q51 VanDerWaalsContact C-N 3.31Å; R49-Q51 PolarHBondContact O-N 3.46Å; R49-G52 WeakPolarHBondContact O-CA 2.8Å; R49-G52 PolarHBondContact O-N 3.29Å; R49-G52 VanDerWaalsContact O-N 3.09Å; R49-V53 WeakPolarHBondContact O-CG2 3.08Å; R49-V53 PolarHBondContact O-N 2.96Å; R49-E76 WeakPolarHBondContact CD-OE1 3.25Å; R49-E76 WeakPolarHBondContact CG-OE1 3.28Å |
| 50 | L | 89.8 | Confident | 86.2 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 178.3 | -171.2 | 71.5 | 0 | 0 | 0 | 111.3 | V46 L47 G52 V53 L54 E76 M77 | V46-L50 PolarHBondContact O-N 2.98Å; L47-L50 PolarHBondContact O-N 3.28Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.46Å; L50-V53 PolarHBondContact O-N 2.99Å; L50-L54 HydrophobicContact CG-CD1 4.39Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.04Å; L50-E76 HydrophobicContact CD1-CB 4.03Å; L50-E76 HydrophobicContact CD1-CG 3.82Å; L50-M77 HydrophobicContact CD1-SD 4.12Å; L50-M77 HydrophobicContact CD2-SD 3.96Å |
| 51 | Q | 90 | Very high | 87.6 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.7 | -34.4 | 177.8 | -158.6 | -177.1 | 48.7 | 0 | 0 | 112.2 | L47 R49 R55 | L47-Q51 VanDerWaalsContact O-CB 3.27Å; L47-Q51 WeakPolarHBondContact O-CB 3.5Å; L47-Q51 PolarHBondContact O-N 3.25Å; R49-Q51 VanDerWaalsContact C-N 3.31Å; R49-Q51 PolarHBondContact O-N 3.46Å; Q51-R55 WeakPolarHBondContact O-CB 3.48Å; Q51-R55 WeakPolarHBondContact O-CG 3.5Å; Q51-R55 PolarHBondContact O-N 3.04Å; Q51-R55 PolarHBondContact O-NE 3.49Å |
| 52 | G | 92.9 | Very high | 88.9 | Confident | 26 Ų | 26 | 78 Ų | 78 | 27% | 0.268 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q48 R49 L50 L54 R55 Q56 | Q48-G52 PolarHBondContact O-N 3.35Å; R49-G52 WeakPolarHBondContact O-CA 2.8Å; R49-G52 PolarHBondContact O-N 3.29Å; R49-G52 VanDerWaalsContact O-N 3.09Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.46Å; G52-L54 PolarHBondContact O-N 3.03Å; G52-R55 PolarHBondContact O-N 3.33Å; G52-Q56 WeakPolarHBondContact O-CB 3.49Å; G52-Q56 PolarHBondContact O-N 2.92Å |
| 53 | V | 94 | Very high | 90 | Very high | 28 Ų | 28 | 76.7 Ų | 76.7 | 17% | 0.17 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | R49 L50 R55 Q56 L57 V72 E76 | R49-V53 WeakPolarHBondContact O-CG2 3.08Å; R49-V53 PolarHBondContact O-N 2.96Å; L50-V53 PolarHBondContact O-N 2.99Å; V53-R55 PolarHBondContact O-N 3.3Å; V53-Q56 PolarHBondContact O-N 3.37Å; V53-L57 HydrophobicContact CG1-CD1 3.82Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.2Å; V53-L57 PolarHBondContact O-N 2.94Å; V53-V72 HydrophobicContact CG1-CG1 3.62Å; V53-E76 HydrophobicContact CG2-CG 4.15Å |
| 54 | L | 93.2 | Very high | 90.6 | Very high | 46 Ų | 46 | 80.7 Ų | 80.7 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 179.2 | -69.1 | 172.4 | 0 | 0 | 0 | 112.5 | L50 G52 Q56 L57 M58 W64 I73 | L50-L54 HydrophobicContact CG-CD1 4.39Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.04Å; G52-L54 PolarHBondContact O-N 3.03Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 2.87Å; L54-L57 PolarHBondContact O-N 3.42Å; L54-M58 WeakPolarHBondContact O-CG 3.1Å; L54-M58 PolarHBondContact O-N 3.28Å; L54-W64 HydrophobicContact CD2-CE3 4.12Å; L54-W64 HydrophobicContact CD2-CZ3 3.7Å; L54-I73 HydrophobicContact CD2-CD1 3.66Å; L54-I73 HydrophobicContact CD2-CG1 3.77Å |
| 55 | R | 94.6 | Very high | 91.1 | Very high | 118 Ų | 118 | 83.9 Ų | 83.9 | 45% | 0.445 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 175.5 | -78.7 | -176.6 | -67.8 | -115 | -3.9 | 111.6 | Q51 G52 V53 M58 S59 | Q51-R55 WeakPolarHBondContact O-CB 3.48Å; Q51-R55 WeakPolarHBondContact O-CG 3.5Å; Q51-R55 PolarHBondContact O-N 3.04Å; Q51-R55 PolarHBondContact O-NE 3.49Å; G52-R55 PolarHBondContact O-N 3.33Å; V53-R55 PolarHBondContact O-N 3.3Å; R55-M58 PolarHBondContact O-N 3.37Å; R55-S59 WeakPolarHBondContact O-CB 3.27Å; R55-S59 PolarHBondContact O-N 3.39Å; R55-S59 PolarHBondContact O-OG 3.09Å |
| 56 | Q | 94.9 | Very high | 91.7 | Very high | 127 Ų | 127 | 82.3 Ų | 82.3 | 59% | 0.593 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 179.6 | 179.1 | 173.1 | -24.5 | 0 | 0 | 112.4 | G52 V53 L54 S59 Q60 | G52-Q56 WeakPolarHBondContact O-CB 3.49Å; G52-Q56 PolarHBondContact O-N 2.92Å; V53-Q56 PolarHBondContact O-N 3.37Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 2.87Å; Q56-S59 WeakPolarHBondContact CA-OG 3.2Å; Q56-S59 PolarHBondContact O-OG 3.36Å; Q56-Q60 WeakPolarHBondContact O-CG 3.43Å; Q56-Q60 PolarHBondContact O-N 2.75Å; Q56-Q60 PolarHBondContact O-NE2 3.18Å |
| 57 | L | 94.8 | Very high | 92.2 | Very high | 15 Ų | 15 | 88 Ų | 88 | 8% | 0.079 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 175.7 | -67.7 | 169.5 | 0 | 0 | 0 | 110.8 | V53 L54 S59 Q60 L62 T69 V72 I73 | V53-L57 HydrophobicContact CG1-CD1 3.82Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.2Å; V53-L57 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 3.42Å; L57-S59 PolarHBondContact O-N 3.24Å; L57-Q60 WeakPolarHBondContact O-CB 3.43Å; L57-Q60 PolarHBondContact O-N 2.95Å; L57-Q60 VanDerWaalsContact O-N 3.14Å; L57-L62 HydrophobicContact CB-CD1 4.45Å; L57-L62 HydrophobicContact CD2-CD1 3.6Å; L57-L62 WeakPolarHBondContact O-CB 3.44Å; L57-L62 PolarHBondContact O-N 3.44Å; L57-T69 HydrophobicContact CD1-CG2 4.03Å; L57-V72 HydrophobicContact CD1-CB 4.25Å; L57-V72 HydrophobicContact CD1-CG1 4Å; L57-V72 HydrophobicContact CD2-CG1 4.48Å; L57-I73 HydrophobicContact CD1-CG1 4.35Å |
| 58 | M | 91.6 | Very high | 92.7 | Very high | 129 Ų | 129 | 88.5 Ų | 88.5 | 64% | 0.635 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 177.4 | -68.7 | -166.7 | -60.5 | 0 | 0 | 112.7 | L54 R55 Q60 G61 | L54-M58 WeakPolarHBondContact O-CG 3.1Å; L54-M58 PolarHBondContact O-N 3.28Å; R55-M58 PolarHBondContact O-N 3.37Å; M58-Q60 PolarHBondContact O-N 3.43Å; M58-G61 PolarHBondContact O-N 2.89Å |
| 59 | S | 95.4 | Very high | 93 | Very high | 97 Ų | 97 | 83.5 Ų | 83.5 | 68% | 0.678 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.9 | -21.8 | 176.4 | 63 | 0 | 0 | 0 | 0 | 113.4 | R55 Q56 L57 | R55-S59 WeakPolarHBondContact O-CB 3.27Å; R55-S59 PolarHBondContact O-N 3.39Å; R55-S59 PolarHBondContact O-OG 3.09Å; Q56-S59 WeakPolarHBondContact CA-OG 3.2Å; Q56-S59 PolarHBondContact O-OG 3.36Å; L57-S59 PolarHBondContact O-N 3.24Å |
| 60 | Q | 94.4 | Very high | 93.3 | Very high | 119 Ų | 119 | 78.9 Ų | 78.9 | 56% | 0.556 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.8 | 173.2 | -71.2 | 170.2 | 77.1 | 0 | 0 | 112.4 | Q56 L57 M58 L62 | Q56-Q60 WeakPolarHBondContact O-CG 3.43Å; Q56-Q60 PolarHBondContact O-N 2.75Å; Q56-Q60 PolarHBondContact O-NE2 3.18Å; L57-Q60 WeakPolarHBondContact O-CB 3.43Å; L57-Q60 PolarHBondContact O-N 2.95Å; L57-Q60 VanDerWaalsContact O-N 3.14Å; M58-Q60 PolarHBondContact O-N 3.43Å; Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 HydrophobicContact CB-CG 4.4Å |
| 61 | G | 94.5 | Very high | 93.6 | Very high | 67 Ų | 67 | 82.9 Ų | 82.9 | 69% | 0.691 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 10.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M58 | M58-G61 PolarHBondContact O-N 2.89Š|
| 62 | L | 95.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 80.1 Ų | 80.1 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | trans | -73.3 | 133.5 | 174.6 | -62.5 | 170.9 | 0 | 0 | 0 | 109.8 | L57 Q60 D66 L68 T69 | L57-L62 HydrophobicContact CB-CD1 4.45Å; L57-L62 HydrophobicContact CD2-CD1 3.6Å; L57-L62 WeakPolarHBondContact O-CB 3.44Å; L57-L62 PolarHBondContact O-N 3.44Å; Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 HydrophobicContact CB-CG 4.4Å; L62-D66 WeakPolarHBondContact CA-OD2 2.97Å; L62-L68 HydrophobicContact CD1-CD2 4Å; L62-L68 HydrophobicContact CD1-CG 4.49Å; L62-L68 HydrophobicContact CD2-CD2 4.4Å; L62-T69 WeakPolarHBondContact CB-OG1 3.4Å | ||
| 63 | S | 92.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 79.5 Ų | 79.5 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | trans | -74.2 | 152 | 174 | 95 | 0 | 0 | 0 | 0 | 110.1 | H65 D66 T69 | S63-H65 PolarHBondContact O-N 3.16Å; S63-H65 PolarHBondContact OG-N 3.36Å; S63-H65 VanDerWaalsContact OG-N 3.15Å; S63-D66 WeakPolarHBondContact CB-OD1 3.09Å; S63-D66 PolarHBondContact N-OD2 3.01Å; S63-D66 PolarHBondContact O-N 3.32Å; S63-D66 PolarHBondContact OG-N 3.07Å; S63-D66 VanDerWaalsContact OG-N 3.1Å; S63-D66 PolarHBondContact OG-OD1 3.49Å; S63-T69 VanDerWaalsContact O-CB 3.25Å; S63-T69 WeakPolarHBondContact O-CB 3.43Å; S63-T69 WeakPolarHBondContact O-CG2 3.46Å; S63-T69 PolarHBondContact O-OG1 3.25Å | ||
| 64 | W | 87.4 | Confident | 93.4 | Very high | 137 Ų | 137 | 81 Ų | 81 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.6 | 170.8 | 169 | -103.1 | 0 | 0 | 0 | 111.7 | L54 Q70 I73 | L54-W64 HydrophobicContact CD2-CE3 4.12Å; L54-W64 HydrophobicContact CD2-CZ3 3.7Å; W64-Q70 PolarHBondContact O-NE2 3.07Å; W64-I73 HydrophobicContact CE3-CD1 3.61Å; W64-I73 HydrophobicContact CH2-CD1 3.8Å; W64-I73 HydrophobicContact CH2-CG2 4.41Å; W64-I73 HydrophobicContact CZ3-CD1 3.18Å; W64-I73 HydrophobicContact CZ3-CG1 4.3Å |
| 65 | H | 91.3 | Very high | 93.4 | Very high | 154 Ų | 154 | 83.2 Ų | 83.2 | 71% | 0.713 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -3.4 | -175.9 | -68.5 | -82.2 | 0 | 0 | 0 | 114.1 | S63 | S63-H65 PolarHBondContact O-N 3.16Å; S63-H65 PolarHBondContact OG-N 3.36Å; S63-H65 VanDerWaalsContact OG-N 3.15Å |
| 66 | D | 94.9 | Very high | 93.1 | Very high | 56 Ų | 56 | 78.3 Ų | 78.3 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -66.7 | 140.8 | 179.5 | -65.8 | -17.4 | 0 | 0 | 0 | 110.9 | L62 S63 L68 T69 Q70 | L62-D66 WeakPolarHBondContact CA-OD2 2.97Å; S63-D66 WeakPolarHBondContact CB-OD1 3.09Å; S63-D66 PolarHBondContact N-OD2 3.01Å; S63-D66 PolarHBondContact O-N 3.32Å; S63-D66 PolarHBondContact OG-N 3.07Å; S63-D66 VanDerWaalsContact OG-N 3.1Å; S63-D66 PolarHBondContact OG-OD1 3.49Å; D66-L68 PolarHBondContact O-N 2.94Å; D66-T69 WeakPolarHBondContact O-CB 3.25Å; D66-T69 PolarHBondContact O-N 2.85Å; D66-Q70 WeakPolarHBondContact O-CG 3.21Å; D66-Q70 PolarHBondContact O-N 3.36Å |
| 67 | D | 94.8 | Very high | 92.6 | Very high | 148 Ų | 148 | 75.4 Ų | 75.4 | 79% | 0.791 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57 | -38.7 | 179.7 | -62.4 | -53.9 | 0 | 0 | 0 | 112 | Q70 H71 | D67-Q70 PolarHBondContact O-N 3.05Å; D67-H71 WeakPolarHBondContact O-CB 3.39Å; D67-H71 PolarHBondContact O-N 3.28Å |
| 68 | L | 93.7 | Very high | 92.2 | Very high | 100 Ų | 100 | 81.8 Ų | 81.8 | 52% | 0.524 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 175.8 | 179.2 | 60.9 | 0 | 0 | 0 | 111.6 | L62 D66 H71 V72 | L62-L68 HydrophobicContact CD1-CD2 4Å; L62-L68 HydrophobicContact CD1-CG 4.49Å; L62-L68 HydrophobicContact CD2-CD2 4.4Å; D66-L68 PolarHBondContact O-N 2.94Å; L68-H71 PolarHBondContact O-N 3.06Å; L68-V72 HydrophobicContact CD1-CG2 4.25Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.27Å; L68-V72 PolarHBondContact O-N 3.1Å |
| 69 | T | 93.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 83.3 Ų | 83.3 | 2% | 0.018 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60 | -48.9 | 177.2 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | L57 L62 S63 D66 H71 V72 I73 | L57-T69 HydrophobicContact CD1-CG2 4.03Å; L62-T69 WeakPolarHBondContact CB-OG1 3.4Å; S63-T69 VanDerWaalsContact O-CB 3.25Å; S63-T69 WeakPolarHBondContact O-CB 3.43Å; S63-T69 WeakPolarHBondContact O-CG2 3.46Å; S63-T69 PolarHBondContact O-OG1 3.25Å; D66-T69 WeakPolarHBondContact O-CB 3.25Å; D66-T69 PolarHBondContact O-N 2.85Å; T69-H71 VanDerWaalsContact C-N 3.33Å; T69-H71 PolarHBondContact O-N 2.88Å; T69-V72 PolarHBondContact O-N 3.36Å; T69-I73 HydrophobicContact CG2-CD1 3.43Å; T69-I73 VanDerWaalsContact CG2-CD1 3.43Å; T69-I73 HydrophobicContact CG2-CG1 4.39Å; T69-I73 WeakPolarHBondContact O-CB 3.03Å; T69-I73 VanDerWaalsContact O-CD1 3.28Å; T69-I73 WeakPolarHBondContact O-CD1 3.39Å; T69-I73 WeakPolarHBondContact O-CG1 3.38Å; T69-I73 PolarHBondContact O-N 3.11Å |
| 70 | Q | 95.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 79.1 Ų | 79.1 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 178 | -70.8 | -60.9 | -49.7 | 0 | 0 | 112.2 | W64 D66 D67 S74 | W64-Q70 PolarHBondContact O-NE2 3.07Å; D66-Q70 WeakPolarHBondContact O-CG 3.21Å; D66-Q70 PolarHBondContact O-N 3.36Å; D67-Q70 PolarHBondContact O-N 3.05Å; Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.23Å; Q70-S74 PolarHBondContact O-N 3.37Å; Q70-S74 PolarHBondContact O-OG 2.03Å |
| 71 | H | 95.3 | Very high | 90.5 | Very high | 118 Ų | 118 | 76.9 Ų | 76.9 | 55% | 0.546 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 177.1 | -179.9 | 74 | 0 | 0 | 0 | 111.9 | D67 L68 T69 I73 S74 Q75 | D67-H71 WeakPolarHBondContact O-CB 3.39Å; D67-H71 PolarHBondContact O-N 3.28Å; L68-H71 PolarHBondContact O-N 3.06Å; T69-H71 VanDerWaalsContact C-N 3.33Å; T69-H71 PolarHBondContact O-N 2.88Å; H71-I73 PolarHBondContact O-N 2.86Å; H71-S74 PolarHBondContact O-N 3.34Å; H71-Q75 PolarHBondContact O-N 2.04Å |
| 72 | V | 94.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 79.2 Ų | 79.2 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | -179.7 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | V53 L57 L68 T69 Q75 E76 | V53-V72 HydrophobicContact CG1-CG1 3.62Å; L57-V72 HydrophobicContact CD1-CB 4.25Å; L57-V72 HydrophobicContact CD1-CG1 4Å; L57-V72 HydrophobicContact CD2-CG1 4.48Å; L68-V72 HydrophobicContact CD1-CG2 4.25Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.27Å; L68-V72 PolarHBondContact O-N 3.1Å; T69-V72 PolarHBondContact O-N 3.36Å; V72-Q75 PolarHBondContact O-N 2.89Å; V72-E76 WeakPolarHBondContact O-CB 3.08Å; V72-E76 PolarHBondContact O-N 2.76Å |
| 73 | I | 91.4 | Very high | 88 | Confident | 14 Ų | 14 | 80.5 Ų | 80.5 | 7% | 0.072 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.9 | -66.3 | 157.5 | 0 | 0 | 0 | 110.5 | L54 L57 W64 T69 H71 Q75 E76 M77 | L54-I73 HydrophobicContact CD2-CD1 3.66Å; L54-I73 HydrophobicContact CD2-CG1 3.77Å; L57-I73 HydrophobicContact CD1-CG1 4.35Å; W64-I73 HydrophobicContact CE3-CD1 3.61Å; W64-I73 HydrophobicContact CH2-CD1 3.8Å; W64-I73 HydrophobicContact CH2-CG2 4.41Å; W64-I73 HydrophobicContact CZ3-CD1 3.18Å; W64-I73 HydrophobicContact CZ3-CG1 4.3Å; T69-I73 HydrophobicContact CG2-CD1 3.43Å; T69-I73 VanDerWaalsContact CG2-CD1 3.43Å; T69-I73 HydrophobicContact CG2-CG1 4.39Å; T69-I73 WeakPolarHBondContact O-CB 3.03Å; T69-I73 VanDerWaalsContact O-CD1 3.28Å; T69-I73 WeakPolarHBondContact O-CD1 3.39Å; T69-I73 WeakPolarHBondContact O-CG1 3.38Å; T69-I73 PolarHBondContact O-N 3.11Å; H71-I73 PolarHBondContact O-N 2.86Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 2.69Å; I73-E76 PolarHBondContact O-N 2.92Å; I73-E76 VanDerWaalsContact O-N 3.11Å; I73-M77 HydrophobicContact CG2-CG 4.17Å; I73-M77 WeakPolarHBondContact O-CB 3.07Å; I73-M77 VanDerWaalsContact O-CG 3.24Å; I73-M77 WeakPolarHBondContact O-CG 3.17Å; I73-M77 PolarHBondContact O-N 2.65Å |
| 74 | S | 89.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 89.2 Ų | 89.2 | 42% | 0.42 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 178.6 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | Q70 H71 E76 M77 E78 | Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.23Å; Q70-S74 PolarHBondContact O-N 3.37Å; Q70-S74 PolarHBondContact O-OG 2.03Å; H71-S74 PolarHBondContact O-N 3.34Å; S74-E76 VanDerWaalsContact C-N 3.34Å; S74-E76 PolarHBondContact O-N 3.05Å; S74-M77 WeakPolarHBondContact O-CB 3.29Å; S74-M77 PolarHBondContact O-N 3.01Å; S74-E78 WeakPolarHBondContact O-CG 3.16Å; S74-E78 PolarHBondContact O-N 2.79Å |
| 75 | Q | 91.6 | Very high | 85.1 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 43% | 0.425 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 175.7 | -168.9 | 175.4 | 52.1 | 0 | 0 | 112.3 | H71 V72 I73 M77 E78 R79 | H71-Q75 PolarHBondContact O-N 2.04Å; V72-Q75 PolarHBondContact O-N 2.89Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 2.69Å; Q75-M77 VanDerWaalsContact C-N 3.32Å; Q75-M77 PolarHBondContact O-N 3.03Å; Q75-E78 PolarHBondContact O-N 2.95Å; Q75-R79 PolarHBondContact O-N 3.4Å |
| 76 | E | 89.9 | Confident | 83.2 | Confident | 15 Ų | 15 | 83.4 Ų | 83.4 | 7% | 0.07 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.2 | -33.6 | 177.4 | -161 | 60.4 | -163.6 | 0 | 0 | 112 | R49 L50 V53 V72 I73 S74 R79 | R49-E76 WeakPolarHBondContact CD-OE1 3.25Å; R49-E76 WeakPolarHBondContact CG-OE1 3.28Å; L50-E76 HydrophobicContact CD1-CB 4.03Å; L50-E76 HydrophobicContact CD1-CG 3.82Å; V53-E76 HydrophobicContact CG2-CG 4.15Å; V72-E76 WeakPolarHBondContact O-CB 3.08Å; V72-E76 PolarHBondContact O-N 2.76Å; I73-E76 PolarHBondContact O-N 2.92Å; I73-E76 VanDerWaalsContact O-N 3.11Å; S74-E76 VanDerWaalsContact C-N 3.34Å; S74-E76 PolarHBondContact O-N 3.05Å; E76-R79 PolarHBondContact O-N 2.95Å; E76-R79 IonicContact OE2-CZ 3.89Å; E76-R79 IonicContact OE2-NH1 2.96Å; E76-R79 PolarHBondContact OE2-NH1 2.75Å |
| 77 | M | 84.4 | Confident | 81.4 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 33% | 0.33 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.3 | -30.1 | 173.8 | -69.3 | -61.9 | -64 | 0 | 0 | 113 | L40 L50 I73 S74 Q75 R79 I80 R82 | L40-M77 HydrophobicContact CD2-CE 3.67Å; L50-M77 HydrophobicContact CD1-SD 4.12Å; L50-M77 HydrophobicContact CD2-SD 3.96Å; I73-M77 HydrophobicContact CG2-CG 4.17Å; I73-M77 WeakPolarHBondContact O-CB 3.07Å; I73-M77 VanDerWaalsContact O-CG 3.24Å; I73-M77 WeakPolarHBondContact O-CG 3.17Å; I73-M77 PolarHBondContact O-N 2.65Å; S74-M77 WeakPolarHBondContact O-CB 3.29Å; S74-M77 PolarHBondContact O-N 3.01Å; Q75-M77 VanDerWaalsContact C-N 3.32Å; Q75-M77 PolarHBondContact O-N 3.03Å; M77-R79 VanDerWaalsContact C-N 3.31Å; M77-I80 HydrophobicContact CE-CD1 4Å; M77-I80 PolarHBondContact O-N 2.86Å; M77-I80 HydrophobicContact SD-CD1 3.67Å; M77-R82 PolarHBondContact O-NH2 3.41Å |
| 78 | E | 85.5 | Confident | 79.5 | Confident | 149 Ų | 149 | 87.7 Ų | 87.7 | 70% | 0.696 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.5 | -30.1 | 173.7 | -76.1 | 176.3 | 179.2 | 0 | 0 | 112.6 | S74 Q75 I80 | S74-E78 WeakPolarHBondContact O-CG 3.16Å; S74-E78 PolarHBondContact O-N 2.79Å; Q75-E78 PolarHBondContact O-N 2.95Å; E78-I80 PolarHBondContact O-N 3.48Å |
| 79 | R | 84.3 | Confident | 77.5 | Confident | 160 Ų | 160 | 90.4 Ų | 90.4 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.8 | 177.5 | -69.5 | 173.1 | 169.8 | 172.6 | -2.7 | 113.9 | Q75 E76 M77 P81 | Q75-R79 PolarHBondContact O-N 3.4Å; E76-R79 PolarHBondContact O-N 2.95Å; E76-R79 IonicContact OE2-CZ 3.89Å; E76-R79 IonicContact OE2-NH1 2.96Å; E76-R79 PolarHBondContact OE2-NH1 2.75Å; M77-R79 VanDerWaalsContact C-N 3.31Å; R79-P81 WeakPolarHBondContact O-CD 3.08Å |
| 80 | I | 82.7 | Confident | 75.9 | Confident | 9 Ų | 9 | 96.2 Ų | 96.2 | 5% | 0.046 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -74.7 | 122.9 | -179.7 | -54.3 | -177.8 | 0 | 0 | 0 | 109.6 | L40 V46 M77 E78 R82 | L40-I80 HydrophobicContact CB-CG2 3.84Å; L40-I80 HydrophobicContact CD2-CB 3.79Å; L40-I80 HydrophobicContact CD2-CD1 3.76Å; L40-I80 HydrophobicContact CD2-CG1 4.29Å; L40-I80 HydrophobicContact CD2-CG2 3.79Å; L40-I80 HydrophobicContact CG-CB 4.22Å; L40-I80 HydrophobicContact CG-CG2 3.88Å; V46-I80 HydrophobicContact CG1-CB 4.26Å; V46-I80 HydrophobicContact CG1-CD1 3.61Å; V46-I80 HydrophobicContact CG1-CG1 3.54Å; V46-I80 HydrophobicContact CG1-CG2 3.93Å; M77-I80 HydrophobicContact CE-CD1 4Å; M77-I80 PolarHBondContact O-N 2.86Å; M77-I80 HydrophobicContact SD-CD1 3.67Å; E78-I80 PolarHBondContact O-N 3.48Å; I80-R82 PolarHBondContact O-N 3.12Å; I80-R82 PolarHBondContact O-NE 3.36Å |
| 81 | P | 77.9 | Confident | 74.1 | Confident | 73 Ų | 73 | 104.3 Ų | 104.3 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 128.9 | 176.6 | -26.4 | 35 | 0 | 0 | 0 | 111.8 | Q41 R79 | Q41-P81 PolarHBondContact N-O 3.17Å; R79-P81 WeakPolarHBondContact O-CD 3.08Å |
| 82 | R | 76.8 | Confident | 71.9 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.2 | 177.9 | -54.9 | -65.6 | 167.5 | 142.6 | -4.8 | 108.6 | P38 M77 I80 R84 | P38-R82 HydrophobicContact CB-CG 4.48Å; M77-R82 PolarHBondContact O-NH2 3.41Å; I80-R82 PolarHBondContact O-N 3.12Å; I80-R82 PolarHBondContact O-NE 3.36Å; R82-R84 PolarHBondContact O-N 3.04Å |
| 83 | L | 61.4 | Low | 70.3 | Confident | 68 Ų | 68 | 115.6 Ų | 115.6 | 36% | 0.356 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 123.4 | 169.5 | -63.8 | 173.4 | 0 | 0 | 0 | 107.7 | L39 Q41 | L39-L83 HydrophobicContact CB-CB 3.97Å; L39-L83 HydrophobicContact CB-CD1 4.06Å; L39-L83 HydrophobicContact CB-CG 4.49Å; L39-L83 VanDerWaalsContact O-CB 3.25Å; L39-L83 WeakPolarHBondContact O-CB 3.46Å; L39-L83 PolarHBondContact O-N 2.88Å; Q41-L83 HydrophobicContact CB-CD1 4.19Å; Q41-L83 HydrophobicContact CB-CD2 3.8Å; Q41-L83 HydrophobicContact CB-CG 3.82Å; Q41-L83 HydrophobicContact CG-CD1 4.24Å; Q41-L83 HydrophobicContact CG-CD2 3.82Å; Q41-L83 HydrophobicContact CG-CG 4.2Å |
| 84 | R | 60.8 | Low | 68.4 | Low | 232 Ų | 232 | 119.6 Ų | 119.6 | 88% | 0.875 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.7 | 163 | -68.3 | -167.5 | -179 | 101.6 | 0.6 | 107.1 | R82 | R82-R84 PolarHBondContact O-N 3.04Š|
| 85 | P | 57.5 | Low | 66.7 | Low | 59 Ų | 59 | 120.5 Ų | 120.5 | 38% | 0.383 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -52.3 | 139 | 167.6 | -21.5 | 31.4 | 0 | 0 | 0 | 108.8 | E87 | P85-E87 PolarHBondContact O-N 3.18Š|
| 86 | P | 52.6 | Low | 65 | Low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 126.6 | 172.9 | 23.2 | -30.9 | 0 | 0 | 0 | 108.1 | ||
| 87 | E | 56.4 | Low | 63.5 | Low | 168 Ų | 168 | 128.5 Ų | 128.5 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -55 | 136.5 | 175.3 | -67.1 | 177.1 | 90.2 | 0 | 0 | 108.5 | P85 H89 | P85-E87 PolarHBondContact O-N 3.18Å; E87-H89 PolarHBondContact O-N 3.22Å; E87-H89 PolarHBondContact O-ND1 2.83Å |
| 88 | P | 54.7 | Low | 61.8 | Low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -63.1 | 102.2 | 175.9 | 24 | -30.3 | 0 | 0 | 0 | 108.1 | ||||
| 89 | H | 51.9 | Low | 60.3 | Low | 156 Ų | 156 | 134.5 Ų | 134.5 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | trans | -51.9 | 122.6 | 173.7 | -58.3 | 76.8 | 0 | 0 | 0 | 108 | E87 R91 | E87-H89 PolarHBondContact O-N 3.22Å; E87-H89 PolarHBondContact O-ND1 2.83Å; H89-R91 PolarHBondContact O-N 3.11Å | ||
| 90 | P | 58.7 | Low | 58.4 | Low | 125 Ų | 125 | 135.9 Ų | 135.9 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | -60.9 | 111.5 | 173.1 | 22.7 | -28.9 | 0 | 0 | 0 | 106.9 | D92 | P90-D92 PolarHBondContact O-N 2.93Å; P90-D92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | R | 58.1 | Low | 56.6 | Low | 238 Ų | 238 | 140.7 Ų | 140.7 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | trans | -55.7 | 122.1 | 172.2 | -87.3 | -161.2 | 172.3 | -162.3 | -0.4 | 107.6 | H89 R93 | H89-R91 PolarHBondContact O-N 3.11Å; R91-R93 PolarHBondContact O-N 3.21Å | ||
| 92 | D | 50.9 | Low | 54.7 | Low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | -54.8 | 100.3 | 176.5 | -150.9 | -37.3 | 0 | 0 | 0 | 109.4 | P90 S94 | P90-D92 PolarHBondContact O-N 2.93Å; P90-D92 VanDerWaalsContact O-N 3.11Å; D92-S94 VanDerWaalsContact C-N 3.31Å; D92-S94 PolarHBondContact O-N 2.89Å | ||
| 93 | R | 60 | Low | 53.2 | Low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | trans | -88.2 | 76.6 | 176.7 | -167.7 | -179.3 | -173.3 | 173.7 | 1.9 | 107.3 | R91 | R91-R93 PolarHBondContact O-N 3.21Š| ||
| 94 | S | 51.6 | Low | 52.1 | Low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -162.4 | 58.4 | 154.4 | -87.9 | 0 | 0 | 0 | 0 | 112.5 | D92 L96 | D92-S94 VanDerWaalsContact C-N 3.31Å; D92-S94 PolarHBondContact O-N 2.89Å; S94-L96 PolarHBondContact O-N 3.23Å | ||
| 95 | G | 53.1 | Low | 50.9 | Low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -75.7 | 80.6 | 143.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 96 | L | 55 | Low | 49.9 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 84.1 | 162.9 | -73.2 | 179.2 | 0 | 0 | 0 | 108.1 | S94 P98 | S94-L96 PolarHBondContact O-N 3.23Å; L96-P98 WeakPolarHBondContact O-CD 3.2Å | ||
| 97 | V | 59 | Low | 49.3 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -57 | 119.3 | 159.4 | 165.7 | 0 | 0 | 0 | 0 | 107.4 | R99 | V97-R99 PolarHBondContact O-N 3.19Š| ||
| 98 | P | 49.3 | Very low | 48.6 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 101.8 | 167.2 | -15.9 | 32.1 | 0 | 0 | 0 | 107.7 | L96 K100 | L96-P98 WeakPolarHBondContact O-CD 3.2Å; P98-K100 PolarHBondContact O-N 2.98Å | ||
| 99 | R | 52.6 | Low | 47.6 | Very low | 220 Ų | 220 | 142.8 Ų | 142.8 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 111.5 | 158.7 | -61.2 | -139.4 | 88.3 | -109.3 | 0.3 | 106.1 | V97 | V97-R99 PolarHBondContact O-N 3.19Š| ||
| 100 | K | 46.3 | Very low | 46.9 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -109.5 | 127.1 | 162.5 | -157.2 | 175.6 | 172 | -178.1 | 0 | 109.8 | P98 | P98-K100 PolarHBondContact O-N 2.98Š| ||
| 101 | P | 44.1 | Very low | 45.8 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -65.6 | 148.9 | 175.9 | -15 | 28.7 | 0 | 0 | 0 | 111.7 | ||||
| 102 | G | 38.5 | Very low | 44.8 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -65 | 173.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 103 | P | 45.1 | Very low | 44.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | -146.6 | 155.9 | 104 | 34.7 | -17.4 | 0 | 0 | 0 | 116.7 | |||||
| 104 | A | 37.6 | Very low | 43.6 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | 42.4 | 122.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 105 | G | 35.4 | Very low | 42.9 | Very low | 70 Ų | 70 | 128.7 Ų | 128.7 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 124.1 | 92.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 106 | E | 38 | Very low | 42.1 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | 176.9 | 132.2 | 110.5 | -96.5 | 177.8 | 75.4 | 0 | 0 | 111 | |||||
| 107 | L | 39.5 | Very low | 41.6 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -102.4 | 111.9 | -174.7 | 163.6 | 100 | 0 | 0 | 0 | 106.6 | ||||
| 108 | L | 40.4 | Very low | 41 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -151.4 | 107.8 | 157.3 | -71.4 | -178.6 | 0 | 0 | 0 | 110.7 | ||||
| 109 | T | 34.2 | Very low | 40.3 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | 42.3 | 131.3 | 129.1 | 2.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 110 | Q | 38.3 | Very low | 39.7 | Very low | 178 Ų | 178 | 121.5 Ų | 121.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | cis | -174.9 | 125 | 42 | -175.8 | 160.7 | 73 | 0 | 0 | 108.4 | ||||
| 111 | G | 35 | Very low | 39.7 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -98.6 | 132.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 112 | N | 37.4 | Very low | 39.4 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -147.9 | 121.4 | 155.3 | -170.4 | 18.1 | 0 | 0 | 0 | 109.2 | ||||
| 113 | P | 46.4 | Very low | 39.5 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | trans | -86.3 | 142 | 167.8 | 34.3 | -28.6 | 0 | 0 | 0 | 108.9 | ||||
| 114 | T | 38.3 | Very low | 39.7 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | 177.3 | 121.8 | 141 | -66 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 115 | G | 37.5 | Very low | 40.5 | Very low | 66 Ų | 66 | 132.5 Ų | 132.5 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 51.3 | 115 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 116 | S | 36.8 | Very low | 41.2 | Very low | 130 Ų | 130 | 135 Ų | 135 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | 168.3 | 126.8 | 106.5 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 117 | S | 42.9 | Very low | 41.4 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -68.7 | 161.9 | 163.3 | -98.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 118 | P | 46.6 | Very low | 41.6 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | -151.9 | 166.7 | 57.1 | 37.4 | -14.3 | 0 | 0 | 0 | 119.6 | |||||
| 119 | A | 35.9 | Very low | 41.6 | Very low | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 44.3 | 121.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 120 | A | 38.9 | Very low | 42 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | 158.8 | 140.4 | 89 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 121 | Q | 46.1 | Very low | 42 | Very low | 198 Ų | 198 | 120.7 Ų | 120.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | 87.7 | 125.2 | 146.9 | -37.9 | -146.6 | 6.5 | 0 | 0 | 121.1 | ||||
| 122 | G | 38.3 | Very low | 42.2 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 121.4 | 67.8 | 137 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 123 | F | 41.2 | Very low | 42.4 | Very low | 211 Ų | 211 | 118.9 Ų | 118.9 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 127.6 | 157.2 | -83.8 | -92.4 | 0 | 0 | 0 | 109.8 | ||
| 124 | P | 49.4 | Very low | 42.3 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 119.4 | 157.8 | -2 | 21.1 | 0 | 0 | 0 | 110.4 | ||
| 125 | R | 53.5 | Low | 42.6 | Very low | 228 Ų | 228 | 116.4 Ų | 116.4 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 154.3 | 149.1 | -76.9 | 175.6 | 72.6 | 174.3 | 2.2 | 108 | ||
| 126 | P | 50.9 | Low | 42.8 | Very low | 122 Ų | 122 | 116.7 Ų | 116.7 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | -132.3 | 128.7 | 118.3 | 22.9 | -5.7 | 0 | 0 | 0 | 109.9 | |||||
| 127 | A | 42.7 | Very low | 43.6 | Very low | 84 Ų | 84 | 116.3 Ų | 116.3 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | 74.7 | 89.1 | 67.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 128 | G | 42.8 | Very low | 44.4 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | trans | -73.1 | 137.1 | 161 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 129 | G | 40.8 | Very low | 44.4 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -135.9 | 117.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 130 | G | 42.3 | Very low | 45.3 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | -106.2 | 141.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 131 | D | 38.4 | Very low | 45.8 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 96% | 0.963 | 86% | 0.862 | S | S | * | * | trans | -177.9 | 137.3 | 147.4 | -90.5 | -48.3 | 0 | 0 | 0 | 109.5 | ||||
| 132 | G | 39 | Very low | 45.8 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 86% | 0.859 | S | S | * | * | trans | 117.1 | 85 | 146 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 133 | A | 42.3 | Very low | 46.2 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 93% | 0.926 | 87% | 0.865 | S | S | * | * | trans | 47.9 | 124.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 134 | G | 43.3 | Very low | 46.5 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 84% | 0.835 | 86% | 0.861 | S | S | * | * | trans | -161.6 | 100.9 | 159 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 135 | A | 45.5 | Very low | 46.3 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 93% | 0.926 | 87% | 0.865 | S | S | * | * | trans | -74.7 | 151.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 136 | G | 41.6 | Very low | 45.9 | Very low | 72 Ų | 72 | 113 Ų | 113 | 74% | 0.742 | 87% | 0.866 | S | S | * | * | trans | 157.5 | 95.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 137 | S | 53.3 | Low | 45.5 | Very low | 122 Ų | 122 | 112.4 Ų | 112.4 | 85% | 0.853 | 87% | 0.871 | S | S | * | * | trans | -162.7 | 115.5 | 152.2 | -75.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 138 | P | 59.6 | Low | 45.7 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 81% | 0.812 | 88% | 0.883 | S | S | * | * | trans | -96.7 | 134.6 | 158.6 | 32.1 | -25.1 | 0 | 0 | 0 | 110.6 | ||||
| 139 | L | 47.4 | Very low | 46 | Very low | 172 Ų | 172 | 116.3 Ų | 116.3 | 90% | 0.901 | 88% | 0.88 | S | S | * | * | trans | -62.4 | 140.6 | 159.3 | -70.1 | 130.3 | 0 | 0 | 0 | 109.1 | ||||
| 140 | S | 53.9 | Low | 46.4 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 87% | 0.867 | 88% | 0.884 | S | S | * | * | trans | -125.9 | 138.9 | 156.6 | -95.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 141 | S | 50.2 | Low | 46.8 | Very low | 191 Ų | 191 | 124 Ų | 124 | 100% | 1.336 | 90% | 0.901 | S | S | * | * | trans | -63.1 | 0 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 114 |
Retrieved 141 of 141 residues in 27.8 ms
(Link to these results)