| 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 | R | 73.3 | Confident | 83.6 | Confident | 277 Ų | 277 | 102.5 Ų | 102.5 | 100% | 1.045 | 48% | 0.475 | S | S | * | . | 0 | 137.7 | 0 | -72.5 | -177.7 | 178.9 | -162.4 | -0.7 | 107.1 | |||||
| 2 | P | 77.8 | Confident | 84.1 | Confident | 78 Ų | 78 | 94.9 Ų | 94.9 | 51% | 0.506 | 44% | 0.44 | S | S | . | . | trans | -59.1 | 138.4 | 175.5 | 23.5 | -30.9 | 0 | 0 | 0 | 110.3 | I18 | P2-I18 CarbonylContact C-O 3.46Å; P2-I18 VanDerWaalsContact CA-O 3.32Å; P2-I18 WeakPolarHBondContact CA-O 3.18Å | ||
| 3 | R | 86.1 | Confident | 84.5 | Confident | 105 Ų | 105 | 98.6 Ų | 98.6 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 157.7 | 174 | -61.3 | -169.6 | -71.4 | 171.5 | -8.7 | 109.6 | I18 S21 | R3-I18 HydrophobicContact CB-CD1 4.36Å; R3-I18 HydrophobicContact CB-CG1 3.89Å; R3-I18 PolarHBondContact N-O 2.93Å; R3-I18 PolarHBondContact O-N 3.22Å; R3-S21 PolarHBondContact NH2-O 2.74Å |
| 4 | R | 87.5 | Confident | 84.9 | Confident | 128 Ų | 128 | 98.8 Ų | 98.8 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | trans | -112.4 | 108.4 | -178.8 | -58.4 | -168.3 | -175 | -174.9 | -5.3 | 109.4 | H6 Q7 | R4-H6 VanDerWaalsContact CD-CE1 3.41Å; R4-H6 WeakPolarHBondContact CD-CE1 3.09Å; R4-H6 PolarHBondContact O-N 2.71Å; R4-H6 VanDerWaalsContact O-N 3.17Å; R4-Q7 HydrophobicContact CB-CG 4.05Å; R4-Q7 WeakPolarHBondContact O-CB 3.33Å; R4-Q7 PolarHBondContact O-N 2.84Å | ||
| 5 | P | 85.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 102.1 Ų | 102.1 | 0% | 0 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -54.6 | -32.1 | -178.4 | -29.4 | 36.5 | 0 | 0 | 0 | 114.7 | Q7 I8 A9 F12 D16 I18 T23 | P5-Q7 PolarHBondContact O-N 3.48Å; P5-Q7 VanDerWaalsContact O-N 3.09Å; P5-I8 WeakPolarHBondContact O-CA 3.29Å; P5-I8 WeakPolarHBondContact O-CB 3.48Å; P5-I8 PolarHBondContact O-N 2.9Å; P5-A9 PolarHBondContact O-N 3.21Å; P5-A9 VanDerWaalsContact O-N 3.09Å; P5-F12 HydrophobicContact CB-CB 3.78Å; P5-F12 HydrophobicContact CB-CD1 3.61Å; P5-F12 HydrophobicContact CB-CD2 3.6Å; P5-F12 HydrophobicContact CB-CE1 4.04Å; P5-F12 HydrophobicContact CB-CE2 4.05Å; P5-F12 HydrophobicContact CB-CG 3.37Å; P5-F12 HydrophobicContact CB-CZ 4.25Å; P5-F12 HydrophobicContact CG-CD1 4.4Å; P5-D16 WeakPolarHBondContact CD-O 3.33Å; P5-D16 HydrophobicContact CG-CB 4.46Å; P5-I18 HydrophobicContact CG-CB 4.36Å; P5-I18 HydrophobicContact CG-CD1 4.05Å; P5-I18 HydrophobicContact CG-CG1 4.02Å; P5-I18 HydrophobicContact CG-CG2 3.64Å; P5-T23 VanDerWaalsContact CB-O 3.3Å; P5-T23 WeakPolarHBondContact CB-O 3.31Å; P5-T23 WeakPolarHBondContact CG-O 3.3Å |
| 6 | H | 87.1 | Confident | 85.9 | Confident | 41 Ų | 41 | 97.4 Ų | 97.4 | 19% | 0.19 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -63.6 | -15.5 | 177.8 | 72.1 | -101.2 | 0 | 0 | 0 | 113.8 | R4 I8 A9 F12 P14 | R4-H6 VanDerWaalsContact CD-CE1 3.41Å; R4-H6 WeakPolarHBondContact CD-CE1 3.09Å; R4-H6 PolarHBondContact O-N 2.71Å; R4-H6 VanDerWaalsContact O-N 3.17Å; H6-I8 VanDerWaalsContact C-N 3.29Å; H6-A9 WeakPolarHBondContact CA-O 3.4Å; H6-F12 HydrophobicContact CB-CB 4.08Å; H6-F12 WeakPolarHBondContact CB-O 3.27Å; H6-P14 PolarHBondContact CE1-O 2.87Å; H6-P14 VanDerWaalsContact CE1-O 3.22Å; H6-P14 WeakPolarHBondContact ND1-CA 3.43Å; H6-P14 PolarHBondContact ND1-O 3.16Å |
| 7 | Q | 84.6 | Confident | 86.3 | Confident | 145 Ų | 145 | 99.1 Ų | 99.1 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -82.7 | -10.5 | 172.5 | -58.5 | -178.8 | -55 | 0 | 0 | 112.4 | R4 P5 | R4-Q7 HydrophobicContact CB-CG 4.05Å; R4-Q7 WeakPolarHBondContact O-CB 3.33Å; R4-Q7 PolarHBondContact O-N 2.84Å; P5-Q7 PolarHBondContact O-N 3.48Å; P5-Q7 VanDerWaalsContact O-N 3.09Å |
| 8 | I | 83.2 | Confident | 86.7 | Confident | 90 Ų | 90 | 94 Ų | 94 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -45.5 | 176.5 | -55.3 | 170.6 | 0 | 0 | 0 | 109.7 | P5 H6 D22 T23 | P5-I8 WeakPolarHBondContact O-CA 3.29Å; P5-I8 WeakPolarHBondContact O-CB 3.48Å; P5-I8 PolarHBondContact O-N 2.9Å; H6-I8 VanDerWaalsContact C-N 3.29Å; I8-D22 WeakPolarHBondContact CD1-O 3.2Å; I8-T23 HydrophobicContact CB-CG2 4.26Å; I8-T23 HydrophobicContact CD1-CG2 4.28Å; I8-T23 HydrophobicContact CG2-CG2 3.84Å |
| 9 | A | 82.7 | Confident | 86.9 | Confident | 23 Ų | 23 | 92 Ų | 92 | 19% | 0.19 | 44% | 0.44 | C | S | . | . | trans | -144.6 | 135.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P5 H6 L11 F12 M81 | P5-A9 PolarHBondContact O-N 3.21Å; P5-A9 VanDerWaalsContact O-N 3.09Å; H6-A9 WeakPolarHBondContact CA-O 3.4Å; A9-L11 PolarHBondContact O-N 3.29Å; A9-F12 HydrophobicContact CB-CD2 4.18Å; A9-F12 HydrophobicContact CB-CE2 4.21Å; A9-F12 WeakPolarHBondContact O-CD2 3.41Å; A9-F12 PolarHBondContact O-N 3.23Å; A9-M81 HydrophobicContact CB-SD 4.5Å | ||
| 10 | D | 85.7 | Confident | 87.1 | Confident | 161 Ų | 161 | 98 Ų | 98 | 86% | 0.861 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -5.3 | -176.6 | -67.2 | -25.1 | 0 | 0 | 0 | 114 | F12 | D10-F12 PolarHBondContact O-N 3.1Š|
| 11 | L | 86.5 | Confident | 87.2 | Confident | 80 Ų | 80 | 96 Ų | 96 | 42% | 0.419 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.1 | 175.9 | -59.6 | 167.6 | 0 | 0 | 0 | 112.9 | A9 V80 M81 H118 | A9-L11 PolarHBondContact O-N 3.29Å; L11-V80 HydrophobicContact CB-CG1 3.47Å; L11-V80 VanDerWaalsContact CB-CG1 3.47Å; L11-V80 HydrophobicContact CD1-CG1 4.47Å; L11-M81 HydrophobicContact CD1-CB 3.92Å; L11-H118 WeakPolarHBondContact CD1-O 3.23Å |
| 12 | F | 89.1 | Confident | 87.9 | Confident | 11 Ų | 11 | 88.5 Ų | 88.5 | 5% | 0.048 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -87.6 | 150.6 | 178.3 | -65 | -85.3 | 0 | 0 | 0 | 112.2 | P5 H6 A9 D10 T23 V80 M81 | P5-F12 HydrophobicContact CB-CB 3.78Å; P5-F12 HydrophobicContact CB-CD1 3.61Å; P5-F12 HydrophobicContact CB-CD2 3.6Å; P5-F12 HydrophobicContact CB-CE1 4.04Å; P5-F12 HydrophobicContact CB-CE2 4.05Å; P5-F12 HydrophobicContact CB-CG 3.37Å; P5-F12 HydrophobicContact CB-CZ 4.25Å; P5-F12 HydrophobicContact CG-CD1 4.4Å; H6-F12 HydrophobicContact CB-CB 4.08Å; H6-F12 WeakPolarHBondContact CB-O 3.27Å; A9-F12 HydrophobicContact CB-CD2 4.18Å; A9-F12 HydrophobicContact CB-CE2 4.21Å; A9-F12 WeakPolarHBondContact O-CD2 3.41Å; A9-F12 PolarHBondContact O-N 3.23Å; D10-F12 PolarHBondContact O-N 3.1Å; F12-T23 HydrophobicContact CE2-CG2 3.7Å; F12-T23 HydrophobicContact CZ-CG2 3.97Å; F12-V80 HydrophobicContact CD1-CG1 3.96Å; F12-V80 HydrophobicContact CD1-CG2 4.2Å; F12-V80 HydrophobicContact CD2-CG1 4.13Å; F12-V80 HydrophobicContact CE1-CB 4.12Å; F12-V80 HydrophobicContact CE1-CG1 3.76Å; F12-V80 HydrophobicContact CE1-CG2 3.99Å; F12-V80 HydrophobicContact CE2-CG1 3.92Å; F12-V80 HydrophobicContact CG-CG1 4.14Å; F12-V80 HydrophobicContact CZ-CB 4.3Å; F12-V80 HydrophobicContact CZ-CG1 3.73Å; F12-M81 HydrophobicContact CE2-SD 4.39Å |
| 13 | R | 90.3 | Very high | 88.3 | Confident | 143 Ų | 143 | 86.7 Ų | 86.7 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | trans | -75.4 | 150 | 178.1 | -55.4 | 172.4 | -60.9 | -167.1 | -1.5 | 110.3 | K15 D16 | R13-K15 HydrophobicContact CB-CG 4.19Å; R13-K15 PolarHBondContact O-N 2.79Å; R13-D16 WeakPolarHBondContact CB-OD2 3.26Å; R13-D16 IonicContact CZ-OD1 3.27Å; R13-D16 PolarHBondContact N-OD2 2.65Å; R13-D16 IonicContact NE-OD1 3.17Å; R13-D16 PolarHBondContact NE-OD1 3.12Å; R13-D16 IonicContact NE-OD2 2.87Å; R13-D16 PolarHBondContact NE-OD2 3.37Å; R13-D16 IonicContact NH2-OD1 3.51Å; R13-D16 PolarHBondContact NH2-OD1 2.84Å; R13-D16 WeakPolarHBondContact O-CB 3.3Å; R13-D16 PolarHBondContact O-N 3.3Å | ||
| 14 | P | 90.3 | Very high | 88.5 | Confident | 101 Ų | 101 | 83.7 Ų | 83.7 | 66% | 0.656 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -28.9 | 177.5 | -30.6 | 36.9 | 0 | 0 | 0 | 115.1 | H6 | H6-P14 PolarHBondContact CE1-O 2.87Å; H6-P14 VanDerWaalsContact CE1-O 3.22Å; H6-P14 WeakPolarHBondContact ND1-CA 3.43Å; H6-P14 PolarHBondContact ND1-O 3.16Å |
| 15 | K | 92.7 | Very high | 88.7 | Confident | 149 Ų | 149 | 80.1 Ų | 80.1 | 65% | 0.648 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.9 | -179.7 | 67 | 177.5 | -179.4 | 178.4 | 0 | 114.4 | R13 | R13-K15 HydrophobicContact CB-CG 4.19Å; R13-K15 PolarHBondContact O-N 2.79Å |
| 16 | D | 92.3 | Very high | 89.2 | Confident | 27 Ų | 27 | 85.4 Ų | 85.4 | 14% | 0.144 | 44% | 0.436 | C | S | . | . | trans | -68.8 | 140.4 | 178.9 | -62.7 | -26.6 | 0 | 0 | 0 | 109.6 | P5 R13 | P5-D16 WeakPolarHBondContact CD-O 3.33Å; P5-D16 HydrophobicContact CG-CB 4.46Å; R13-D16 WeakPolarHBondContact CB-OD2 3.26Å; R13-D16 IonicContact CZ-OD1 3.27Å; R13-D16 PolarHBondContact N-OD2 2.65Å; R13-D16 IonicContact NE-OD1 3.17Å; R13-D16 PolarHBondContact NE-OD1 3.12Å; R13-D16 IonicContact NE-OD2 2.87Å; R13-D16 PolarHBondContact NE-OD2 3.37Å; R13-D16 IonicContact NH2-OD1 3.51Å; R13-D16 PolarHBondContact NH2-OD1 2.84Å; R13-D16 WeakPolarHBondContact O-CB 3.3Å; R13-D16 PolarHBondContact O-N 3.3Å | ||
| 17 | Q | 92.8 | Very high | 89.7 | Confident | 125 Ų | 125 | 85.3 Ų | 85.3 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | trans | -137.9 | 141.2 | -175 | -66.6 | -176.2 | -3.3 | 0 | 0 | 110.3 | ||||
| 18 | I | 92.9 | Very high | 90.3 | Very high | 8 Ų | 8 | 80.4 Ų | 80.4 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -129.4 | 148 | 171.6 | 62.1 | 179.7 | 0 | 0 | 0 | 109.1 | P2 R3 P5 S21 P25 | P2-I18 CarbonylContact C-O 3.46Å; P2-I18 VanDerWaalsContact CA-O 3.32Å; P2-I18 WeakPolarHBondContact CA-O 3.18Å; R3-I18 HydrophobicContact CB-CD1 4.36Å; R3-I18 HydrophobicContact CB-CG1 3.89Å; R3-I18 PolarHBondContact N-O 2.93Å; R3-I18 PolarHBondContact O-N 3.22Å; P5-I18 HydrophobicContact CG-CB 4.36Å; P5-I18 HydrophobicContact CG-CD1 4.05Å; P5-I18 HydrophobicContact CG-CG1 4.02Å; P5-I18 HydrophobicContact CG-CG2 3.64Å; I18-S21 WeakPolarHBondContact CD1-O 3.44Å; I18-P25 HydrophobicContact CG2-CB 4.24Å |
| 19 | A | 91.8 | Very high | 91 | Very high | 56 Ų | 56 | 77.3 Ų | 77.3 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -83.5 | -72 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 20 | Y | 90.4 | Very high | 91.7 | Very high | 212 Ų | 212 | 76.2 Ų | 76.2 | 83% | 0.831 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -129.4 | -4.7 | -173.9 | -51.2 | -69.7 | 0 | 0 | 0 | 113.7 | ||
| 21 | S | 89.6 | Confident | 92.3 | Very high | 55 Ų | 55 | 73.8 Ų | 73.8 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -58.8 | 152.9 | 170.7 | -49.2 | 0 | 0 | 0 | 0 | 110.6 | R3 I18 S24 | R3-S21 PolarHBondContact NH2-O 2.74Å; I18-S21 WeakPolarHBondContact CD1-O 3.44Å; S21-S24 WeakPolarHBondContact CB-O 3.49Å |
| 22 | D | 86.7 | Confident | 92.9 | Very high | 121 Ų | 121 | 71 Ų | 71 | 65% | 0.647 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.9 | -59.8 | -172.2 | -158.3 | 9 | 0 | 0 | 0 | 112.4 | I8 | I8-D22 WeakPolarHBondContact CD1-O 3.2Š|
| 23 | T | 87.9 | Confident | 93.3 | Very high | 39 Ų | 39 | 70.8 Ų | 70.8 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -132 | -50.6 | -175.6 | -46.8 | 0 | 0 | 0 | 0 | 112.8 | P5 I8 F12 | P5-T23 VanDerWaalsContact CB-O 3.3Å; P5-T23 WeakPolarHBondContact CB-O 3.31Å; P5-T23 WeakPolarHBondContact CG-O 3.3Å; I8-T23 HydrophobicContact CB-CG2 4.26Å; I8-T23 HydrophobicContact CD1-CG2 4.28Å; I8-T23 HydrophobicContact CG2-CG2 3.84Å; F12-T23 HydrophobicContact CE2-CG2 3.7Å; F12-T23 HydrophobicContact CZ-CG2 3.97Å |
| 24 | S | 90.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | trans | -104.9 | 150.8 | -174.9 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | S21 F26 | S21-S24 WeakPolarHBondContact CB-O 3.49Å; S24-F26 VanDerWaalsContact C-N 3.31Å; S24-F26 WeakPolarHBondContact CB-O 3.23Å; S24-F26 PolarHBondContact OG-N 3.39Å; S24-F26 PolarHBondContact OG-O 2.82Å | ||
| 25 | P | 91.5 | Very high | 94 | Very high | 53 Ų | 53 | 63.1 Ų | 63.1 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -65.9 | -30.9 | 169.9 | 26.6 | -35.5 | 0 | 0 | 0 | 113.4 | I18 | I18-P25 HydrophobicContact CG2-CB 4.24Š|
| 26 | F | 95.3 | Very high | 94.2 | Very high | 110 Ų | 110 | 58.1 Ų | 58.1 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | trans | -133.2 | 143.3 | -178.4 | -61.9 | -76.4 | 0 | 0 | 0 | 111.4 | S24 N53 L77 | S24-F26 VanDerWaalsContact C-N 3.31Å; S24-F26 WeakPolarHBondContact CB-O 3.23Å; S24-F26 PolarHBondContact OG-N 3.39Å; S24-F26 PolarHBondContact OG-O 2.82Å; F26-N53 WeakPolarHBondContact CA-OD1 3.48Å; F26-N53 HydrophobicContact CD1-CB 4.17Å; F26-L77 HydrophobicContact CD2-CD2 4.2Å; F26-L77 HydrophobicContact CE2-CD2 4.36Å | ||
| 27 | L | 96.6 | Very high | 94.4 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -120.3 | 127.6 | 167.1 | 177.9 | 63.8 | 0 | 0 | 0 | 109.1 | F50 P52 N53 I54 C83 | L27-F50 WeakPolarHBondContact CD2-O 3.41Å; L27-P52 HydrophobicContact CG-CB 4.34Å; L27-N53 PolarHBondContact N-OD1 3.09Å; L27-N53 PolarHBondContact O-N 2.74Å; L27-I54 PolarHBondContact O-N 3.18Å; L27-C83 HydrophobicContact CD1-CB 3.47Å; L27-C83 VanDerWaalsContact CD1-CB 3.47Å | ||
| 28 | I | 97.2 | Very high | 94.7 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144 | 174.9 | -58.3 | -179 | 0 | 0 | 0 | 108.2 | I54 I56 W67 L70 L77 | I28-I54 WeakPolarHBondContact CA-O 3.26Å; I28-I54 HydrophobicContact CG1-CB 4.32Å; I28-I56 HydrophobicContact CG2-CD1 3.82Å; I28-I56 HydrophobicContact CG2-CG1 4.26Å; I28-W67 HydrophobicContact CG2-CZ3 4.48Å; I28-L70 HydrophobicContact CD1-CD1 3.56Å; I28-L77 HydrophobicContact CD1-CD1 4.04Å |
| 29 | L | 97.8 | Very high | 94.9 | Very high | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 138.2 | 173.8 | 177.4 | 65.9 | 0 | 0 | 0 | 108.7 | A47 F50 P52 I54 V55 I56 | L29-A47 HydrophobicContact CD2-CB 4.46Å; L29-F50 HydrophobicContact CD2-CB 4.03Å; L29-F50 HydrophobicContact CD2-CD2 4.16Å; L29-F50 HydrophobicContact CD2-CG 4.25Å; L29-P52 HydrophobicContact CB-CB 3.86Å; L29-P52 HydrophobicContact CB-CG 4.18Å; L29-P52 HydrophobicContact CD2-CG 4.24Å; L29-I54 PolarHBondContact N-O 2.75Å; L29-I54 VanDerWaalsContact N-O 3.11Å; L29-V55 VanDerWaalsContact O-CA 3.24Å; L29-V55 WeakPolarHBondContact O-CA 3.45Å; L29-I56 PolarHBondContact O-N 3.06Å |
| 30 | S | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 149.9 | 171.8 | 72.3 | 0 | 0 | 0 | 0 | 113 | A32 S33 L34 I56 C59 E64 | S30-A32 PolarHBondContact O-N 2.84Å; S30-S33 PolarHBondContact O-N 2.7Å; S30-S33 WeakPolarHBondContact OG-CB 3.44Å; S30-S33 PolarHBondContact OG-N 3.2Å; S30-S33 PolarHBondContact OG-OG 3.41Å; S30-L34 PolarHBondContact O-N 3.22Å; S30-L34 VanDerWaalsContact O-N 3.16Å; S30-I56 CarbonylContact C-O 3.51Å; S30-I56 VanDerWaalsContact CA-O 3.26Å; S30-I56 WeakPolarHBondContact CA-O 3.43Å; S30-C59 WeakPolarHBondContact CB-SG 3.37Å; S30-E64 WeakPolarHBondContact CB-OE2 3.24Å; S30-E64 PolarHBondContact N-OE1 3Å; S30-E64 VanDerWaalsContact OG-CD 3.31Å; S30-E64 PolarHBondContact OG-OE1 2.95Å; S30-E64 PolarHBondContact OG-OE2 3.42Å |
| 31 | E | 98.6 | Very high | 95.3 | Very high | 110 Ų | 110 | 46.8 Ų | 46.8 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -33.7 | 171.1 | -66.7 | -168.9 | 161.4 | 0 | 0 | 111.5 | L34 A35 V55 I56 S57 | E31-L34 PolarHBondContact O-N 2.67Å; E31-A35 VanDerWaalsContact O-CB 3.29Å; E31-A35 WeakPolarHBondContact O-CB 3.44Å; E31-A35 PolarHBondContact O-N 3.22Å; E31-V55 HydrophobicContact CG-CG1 3.6Å; E31-I56 PolarHBondContact N-O 3.07Å; E31-S57 VanDerWaalsContact CD-CB 3.5Å; E31-S57 WeakPolarHBondContact OE2-CB 3.38Å |
| 32 | A | 98.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 17% | 0.174 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S30 L34 A35 D36 C59 V61 | S30-A32 PolarHBondContact O-N 2.84Å; A32-L34 VanDerWaalsContact C-N 3.34Å; A32-L34 PolarHBondContact O-N 3.06Å; A32-A35 PolarHBondContact O-N 3.03Å; A32-D36 WeakPolarHBondContact O-CB 3.01Å; A32-D36 PolarHBondContact O-N 2.73Å; A32-C59 VanDerWaalsContact CB-O 3.3Å; A32-C59 WeakPolarHBondContact CB-O 3.4Å; A32-V61 HydrophobicContact CB-CG2 4.29Å |
| 33 | S | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 173.7 | -63 | 0 | 0 | 0 | 0 | 112.3 | S30 D36 L37 Y62 E64 | S30-S33 PolarHBondContact O-N 2.7Å; S30-S33 WeakPolarHBondContact OG-CB 3.44Å; S30-S33 PolarHBondContact OG-N 3.2Å; S30-S33 PolarHBondContact OG-OG 3.41Å; S33-D36 PolarHBondContact O-N 2.56Å; S33-L37 WeakPolarHBondContact O-CB 3.39Å; S33-L37 PolarHBondContact O-N 2.99Å; S33-Y62 VanDerWaalsContact OG-CA 3.3Å; S33-Y62 WeakPolarHBondContact OG-CA 3.42Å; S33-Y62 VanDerWaalsContact OG-CD1 3.31Å; S33-Y62 WeakPolarHBondContact OG-CD1 3.49Å; S33-Y62 PolarHBondContact OG-N 2.77Å; S33-E64 VanDerWaalsContact CB-OE1 3.23Å; S33-E64 WeakPolarHBondContact CB-OE1 3.37Å; S33-E64 PolarHBondContact OG-OE1 3.44Å; S33-E64 PolarHBondContact OG-OE2 3.45Å |
| 34 | L | 97.8 | Very high | 96.2 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.1 | -179.6 | 62.6 | 0 | 0 | 0 | 111.9 | S30 E31 A32 N38 V45 A47 F50 | S30-L34 PolarHBondContact O-N 3.22Å; S30-L34 VanDerWaalsContact O-N 3.16Å; E31-L34 PolarHBondContact O-N 2.67Å; A32-L34 VanDerWaalsContact C-N 3.34Å; A32-L34 PolarHBondContact O-N 3.06Å; L34-N38 VanDerWaalsContact O-CB 3.27Å; L34-N38 WeakPolarHBondContact O-CB 3.25Å; L34-N38 PolarHBondContact O-N 3.48Å; L34-N38 PolarHBondContact O-ND2 3.44Å; L34-N38 VanDerWaalsContact O-ND2 3.16Å; L34-V45 HydrophobicContact CD1-CG2 4.16Å; L34-A47 HydrophobicContact CD2-CB 3.93Å; L34-F50 HydrophobicContact CD1-CD2 4.09Å; L34-F50 HydrophobicContact CD1-CE2 3.76Å |
| 35 | A | 98.1 | Very high | 96.5 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 49% | 0.488 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E31 A32 N38 S39 | E31-A35 VanDerWaalsContact O-CB 3.29Å; E31-A35 WeakPolarHBondContact O-CB 3.44Å; E31-A35 PolarHBondContact O-N 3.22Å; A32-A35 PolarHBondContact O-N 3.03Å; A35-N38 CarbonylContact O-C 3.56Å; A35-N38 PolarHBondContact O-N 3.26Å; A35-S39 PolarHBondContact O-N 2.74Å |
| 36 | D | 97.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 176.8 | -179.5 | 64 | 0 | 0 | 0 | 112.1 | A32 S33 N38 S39 R40 V61 Y62 | A32-D36 WeakPolarHBondContact O-CB 3.01Å; A32-D36 PolarHBondContact O-N 2.73Å; S33-D36 PolarHBondContact O-N 2.56Å; D36-N38 VanDerWaalsContact C-N 3.33Å; D36-N38 PolarHBondContact O-N 2.77Å; D36-S39 WeakPolarHBondContact O-CB 3.42Å; D36-S39 PolarHBondContact O-N 3.46Å; D36-S39 PolarHBondContact O-OG 3.12Å; D36-R40 PolarHBondContact O-NE 3.03Å; D36-R40 IonicContact OD2-CZ 2.75Å; D36-R40 IonicContact OD2-NE 3.11Å; D36-R40 IonicContact OD2-NH1 2.77Å; D36-R40 PolarHBondContact OD2-NH1 3.1Å; D36-R40 IonicContact OD2-NH2 3.04Å; D36-R40 PolarHBondContact OD2-NH2 2.99Å; D36-V61 HydrophobicContact CB-CB 4.44Å; D36-V61 HydrophobicContact CB-CG1 3.34Å; D36-V61 HydrophobicContact CB-CG2 4.16Å; D36-Y62 PolarHBondContact OD2-OH 3.24Å |
| 37 | L | 96.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.4 | -48.9 | 170.4 | 177.1 | 61.6 | 0 | 0 | 0 | 111.3 | S33 S39 R40 L41 V45 F50 P103 T106 L107 | S33-L37 WeakPolarHBondContact O-CB 3.39Å; S33-L37 PolarHBondContact O-N 2.99Å; L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 3.36Å; L37-R40 VanDerWaalsContact CA-NH2 3.3Å; L37-R40 PolarHBondContact O-N 2.86Å; L37-R40 VanDerWaalsContact O-N 3.1Å; L37-L41 HydrophobicContact CD1-CD1 4.13Å; L37-L41 HydrophobicContact CD1-CG 4.29Å; L37-L41 HydrophobicContact CD2-CD1 4.38Å; L37-L41 HydrophobicContact CG-CD1 3.83Å; L37-L41 HydrophobicContact CG-CG 4.41Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.74Å; L37-V45 HydrophobicContact CD2-CG2 4.14Å; L37-F50 HydrophobicContact CD2-CE1 4.16Å; L37-F50 HydrophobicContact CD2-CE2 3.95Å; L37-F50 HydrophobicContact CD2-CZ 3.34Å; L37-P103 HydrophobicContact CD2-CB 4.43Å; L37-T106 HydrophobicContact CD1-CG2 3.79Å; L37-L107 HydrophobicContact CD1-CD2 4.02Å; L37-L107 HydrophobicContact CD1-CG 4.08Å; L37-L107 HydrophobicContact CD2-CD1 4.4Å; L37-L107 HydrophobicContact CD2-CD2 4.06Å; L37-L107 HydrophobicContact CD2-CG 4.3Å |
| 38 | N | 97.8 | Very high | 97 | Very high | 25 Ų | 25 | 58 Ų | 58 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -33.4 | 179.2 | -87.2 | -40.3 | 0 | 0 | 0 | 112.7 | L34 A35 D36 R40 L41 K44 V45 | L34-N38 VanDerWaalsContact O-CB 3.27Å; L34-N38 WeakPolarHBondContact O-CB 3.25Å; L34-N38 PolarHBondContact O-N 3.48Å; L34-N38 PolarHBondContact O-ND2 3.44Å; L34-N38 VanDerWaalsContact O-ND2 3.16Å; A35-N38 CarbonylContact O-C 3.56Å; A35-N38 PolarHBondContact O-N 3.26Å; D36-N38 VanDerWaalsContact C-N 3.33Å; D36-N38 PolarHBondContact O-N 2.77Å; N38-R40 PolarHBondContact O-N 3.22Å; N38-R40 VanDerWaalsContact O-N 3.12Å; N38-L41 PolarHBondContact O-N 3.11Å; N38-K44 HydrophobicContact CB-CD 4.04Å; N38-K44 WeakPolarHBondContact O-CD 3.28Å; N38-K44 WeakPolarHBondContact O-CE 3.36Å; N38-K44 PolarHBondContact O-NZ 2.97Å; N38-K44 VanDerWaalsContact OD1-CA 3.23Å; N38-K44 WeakPolarHBondContact OD1-CA 3.32Å; N38-K44 WeakPolarHBondContact OD1-CB 3.22Å; N38-V45 PolarHBondContact ND2-O 2.83Å; N38-V45 PolarHBondContact OD1-N 3.04Å; N38-V45 PolarHBondContact OD1-O 3.16Å |
| 39 | S | 97.2 | Very high | 97 | Very high | 82 Ų | 82 | 56.8 Ų | 56.8 | 57% | 0.573 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.1 | -25.5 | 177.6 | 81.3 | 0 | 0 | 0 | 0 | 113 | A35 D36 L37 | A35-S39 PolarHBondContact O-N 2.74Å; D36-S39 WeakPolarHBondContact O-CB 3.42Å; D36-S39 PolarHBondContact O-N 3.46Å; D36-S39 PolarHBondContact O-OG 3.12Å; L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 3.36Å |
| 40 | R | 95.6 | Very high | 96.9 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -101.4 | -6.8 | -176 | -63.4 | 167.8 | -68.3 | 174.8 | 5.3 | 114.1 | D36 L37 N38 Y62 T106 E110 | D36-R40 PolarHBondContact O-NE 3.03Å; D36-R40 IonicContact OD2-CZ 2.75Å; D36-R40 IonicContact OD2-NE 3.11Å; D36-R40 IonicContact OD2-NH1 2.77Å; D36-R40 PolarHBondContact OD2-NH1 3.1Å; D36-R40 IonicContact OD2-NH2 3.04Å; D36-R40 PolarHBondContact OD2-NH2 2.99Å; L37-R40 VanDerWaalsContact CA-NH2 3.3Å; L37-R40 PolarHBondContact O-N 2.86Å; L37-R40 VanDerWaalsContact O-N 3.1Å; N38-R40 PolarHBondContact O-N 3.22Å; N38-R40 VanDerWaalsContact O-N 3.12Å; R40-Y62 PolarHBondContact NH2-OH 3.25Å; R40-T106 HydrophobicContact CB-CG2 4.22Å; R40-E110 IonicContact NH1-OE1 3.48Å; R40-E110 PolarHBondContact NH1-OE1 3.23Å; R40-E110 VanDerWaalsContact NH1-OE1 3.11Å; R40-E110 IonicContact NH1-OE2 3.9Å; R40-E110 PolarHBondContact NH1-OE2 2.84Å |
| 41 | L | 95.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | trans | -97.1 | 140.4 | 179.7 | -68.2 | 173 | 0 | 0 | 0 | 111.7 | L37 N38 K44 V45 E102 P103 T106 | L37-L41 HydrophobicContact CD1-CD1 4.13Å; L37-L41 HydrophobicContact CD1-CG 4.29Å; L37-L41 HydrophobicContact CD2-CD1 4.38Å; L37-L41 HydrophobicContact CG-CD1 3.83Å; L37-L41 HydrophobicContact CG-CG 4.41Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.74Å; N38-L41 PolarHBondContact O-N 3.11Å; L41-K44 PolarHBondContact O-NZ 3.48Å; L41-V45 HydrophobicContact CD1-CG1 4.14Å; L41-V45 HydrophobicContact CD1-CG2 3.71Å; L41-E102 WeakPolarHBondContact CD2-OE2 3.35Å; L41-P103 HydrophobicContact CD1-CB 3.86Å; L41-P103 HydrophobicContact CD2-CB 4.15Å; L41-T106 HydrophobicContact CD2-CG2 4.07Å; L41-T106 WeakPolarHBondContact CD2-OG1 3.34Å | ||
| 42 | E | 94.3 | Very high | 96.8 | Very high | 200 Ų | 200 | 60.8 Ų | 60.8 | 94% | 0.935 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -68.2 | -55.5 | 168.5 | -174.3 | -178.2 | 177.6 | 0 | 0 | 110.4 | ||
| 43 | K | 94.1 | Very high | 96.8 | Very high | 141 Ų | 141 | 64.6 Ų | 64.6 | 61% | 0.613 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -92.2 | 113.9 | 171.7 | -174.1 | 178.7 | 176.8 | -174.7 | 0 | 109.9 | D92 | K43-D92 IonicContact NZ-OD2 3.52Å; K43-D92 PolarHBondContact NZ-OD2 3.36Å |
| 44 | K | 96.1 | Very high | 96.8 | Very high | 120 Ų | 120 | 66.6 Ų | 66.6 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | trans | -66.8 | 146 | 179 | -49.8 | -50.5 | -175.3 | -167.3 | 0 | 111.3 | N38 L41 | N38-K44 HydrophobicContact CB-CD 4.04Å; N38-K44 WeakPolarHBondContact O-CD 3.28Å; N38-K44 WeakPolarHBondContact O-CE 3.36Å; N38-K44 PolarHBondContact O-NZ 2.97Å; N38-K44 VanDerWaalsContact OD1-CA 3.23Å; N38-K44 WeakPolarHBondContact OD1-CA 3.32Å; N38-K44 WeakPolarHBondContact OD1-CB 3.22Å; L41-K44 PolarHBondContact O-NZ 3.48Å | ||
| 45 | V | 97 | Very high | 96.9 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 11% | 0.109 | 35% | 0.347 | C | S | . | . | trans | -112.4 | 157.2 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | L34 L37 N38 L41 N49 F50 P103 | L34-V45 HydrophobicContact CD1-CG2 4.16Å; L37-V45 HydrophobicContact CD2-CG2 4.14Å; N38-V45 PolarHBondContact ND2-O 2.83Å; N38-V45 PolarHBondContact OD1-N 3.04Å; N38-V45 PolarHBondContact OD1-O 3.16Å; L41-V45 HydrophobicContact CD1-CG1 4.14Å; L41-V45 HydrophobicContact CD1-CG2 3.71Å; V45-N49 HydrophobicContact CB-CB 4.28Å; V45-F50 HydrophobicContact CB-CE2 4.35Å; V45-F50 HydrophobicContact CG2-CE2 3.66Å; V45-F50 HydrophobicContact CG2-CZ 4Å; V45-P103 HydrophobicContact CG1-CB 4.17Å; V45-P103 HydrophobicContact CG1-CG 4.07Å | ||
| 46 | K | 97.5 | Very high | 96.9 | Very high | 112 Ų | 112 | 67.3 Ų | 67.3 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | trans | -103 | 164.3 | 177.2 | -63.7 | 171.3 | -174.9 | 166.8 | 0 | 109.3 | T48 N49 D94 | K46-T48 WeakPolarHBondContact CB-OG1 3.39Å; K46-T48 PolarHBondContact O-N 3.2Å; K46-T48 VanDerWaalsContact O-N 3.1Å; K46-N49 PolarHBondContact N-OD1 2.94Å; K46-N49 WeakPolarHBondContact O-CB 3.29Å; K46-N49 PolarHBondContact O-N 2.79Å; K46-N49 PolarHBondContact O-OD1 3.09Å; K46-D94 IonicContact NZ-OD1 3.8Å; K46-D94 IonicContact NZ-OD2 2.82Å; K46-D94 PolarHBondContact NZ-OD2 3.32Å | ||
| 47 | A | 97.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 68.8 Ų | 68.8 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54 | -31.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | L29 L34 N49 F50 R51 P52 V55 | L29-A47 HydrophobicContact CD2-CB 4.46Å; L34-A47 HydrophobicContact CD2-CB 3.93Å; A47-N49 PolarHBondContact O-N 3.02Å; A47-F50 WeakPolarHBondContact O-CA 3.49Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.24Å; A47-R51 PolarHBondContact O-N 3.17Å; A47-R51 VanDerWaalsContact O-N 3.12Å; A47-P52 HydrophobicContact CB-CG 4.19Å; A47-P52 WeakPolarHBondContact O-CD 3.48Å; A47-V55 HydrophobicContact CB-CG2 4.08Å |
| 48 | T | 97.4 | Very high | 97 | Very high | 83 Ų | 83 | 72.7 Ų | 72.7 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -25.5 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | K46 F50 R51 | K46-T48 WeakPolarHBondContact CB-OG1 3.39Å; K46-T48 PolarHBondContact O-N 3.2Å; K46-T48 VanDerWaalsContact O-N 3.1Å; T48-F50 PolarHBondContact O-N 3.35Å; T48-R51 WeakPolarHBondContact O-CG 3.36Å; T48-R51 PolarHBondContact O-N 3.29Å |
| 49 | N | 97.2 | Very high | 97 | Very high | 14 Ų | 14 | 73 Ų | 73 | 8% | 0.075 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.2 | -29.6 | 170.1 | -68.1 | 83.3 | 0 | 0 | 0 | 111.9 | V45 K46 A47 T89 V91 | V45-N49 HydrophobicContact CB-CB 4.28Å; K46-N49 PolarHBondContact N-OD1 2.94Å; K46-N49 WeakPolarHBondContact O-CB 3.29Å; K46-N49 PolarHBondContact O-N 2.79Å; K46-N49 PolarHBondContact O-OD1 3.09Å; A47-N49 PolarHBondContact O-N 3.02Å; N49-T89 PolarHBondContact ND2-O 3.38Å; N49-V91 PolarHBondContact ND2-O 2.96Å |
| 50 | F | 96.8 | Very high | 97 | Very high | 12 Ų | 12 | 75.7 Ų | 75.7 | 5% | 0.053 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -94.2 | -19.9 | -177.1 | -60 | -76.5 | 0 | 0 | 0 | 113.8 | L27 L29 L34 L37 V45 A47 T48 R85 T89 P103 L107 | L27-F50 WeakPolarHBondContact CD2-O 3.41Å; L29-F50 HydrophobicContact CD2-CB 4.03Å; L29-F50 HydrophobicContact CD2-CD2 4.16Å; L29-F50 HydrophobicContact CD2-CG 4.25Å; L34-F50 HydrophobicContact CD1-CD2 4.09Å; L34-F50 HydrophobicContact CD1-CE2 3.76Å; L37-F50 HydrophobicContact CD2-CE1 4.16Å; L37-F50 HydrophobicContact CD2-CE2 3.95Å; L37-F50 HydrophobicContact CD2-CZ 3.34Å; V45-F50 HydrophobicContact CB-CE2 4.35Å; V45-F50 HydrophobicContact CG2-CE2 3.66Å; V45-F50 HydrophobicContact CG2-CZ 4Å; A47-F50 WeakPolarHBondContact O-CA 3.49Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.24Å; T48-F50 PolarHBondContact O-N 3.35Å; F50-R85 VanDerWaalsContact CA-NH2 3.3Å; F50-R85 PolarHBondContact O-NH1 3.28Å; F50-R85 PolarHBondContact O-NH2 3.37Å; F50-T89 HydrophobicContact CD1-CG2 3.87Å; F50-T89 HydrophobicContact CE1-CG2 3.84Å; F50-P103 HydrophobicContact CE1-CG 4.41Å; F50-P103 HydrophobicContact CZ-CG 3.99Å; F50-L107 HydrophobicContact CE1-CD1 3.8Å; F50-L107 HydrophobicContact CZ-CD1 4.35Å |
| 51 | R | 96.8 | Very high | 97 | Very high | 182 Ų | 182 | 75.6 Ų | 75.6 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | trans | 58.3 | 44.6 | 179.4 | -53.1 | 164 | 61.3 | 116.7 | -0.6 | 113.5 | A47 T48 | A47-R51 PolarHBondContact O-N 3.17Å; A47-R51 VanDerWaalsContact O-N 3.12Å; T48-R51 WeakPolarHBondContact O-CG 3.36Å; T48-R51 PolarHBondContact O-N 3.29Å | ||
| 52 | P | 97.4 | Very high | 97 | Very high | 26 Ų | 26 | 78.2 Ų | 78.2 | 17% | 0.169 | 42% | 0.417 | C | S | . | . | trans | -66.3 | 153.6 | 173.6 | 32.9 | -35.1 | 0 | 0 | 0 | 110.3 | L27 L29 A47 V55 | L27-P52 HydrophobicContact CG-CB 4.34Å; L29-P52 HydrophobicContact CB-CB 3.86Å; L29-P52 HydrophobicContact CB-CG 4.18Å; L29-P52 HydrophobicContact CD2-CG 4.24Å; A47-P52 HydrophobicContact CB-CG 4.19Å; A47-P52 WeakPolarHBondContact O-CD 3.48Å; P52-V55 HydrophobicContact CB-CG2 4.27Å; P52-V55 HydrophobicContact CG-CG2 3.59Å | ||
| 53 | N | 97.7 | Very high | 97 | Very high | 102 Ų | 102 | 69.5 Ų | 69.5 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -83.5 | -36 | 167.3 | -60.9 | 101.4 | 0 | 0 | 0 | 110.9 | F26 L27 | F26-N53 WeakPolarHBondContact CA-OD1 3.48Å; F26-N53 HydrophobicContact CD1-CB 4.17Å; L27-N53 PolarHBondContact N-OD1 3.09Å; L27-N53 PolarHBondContact O-N 2.74Å |
| 54 | I | 98.1 | Very high | 97 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.6 | -176.6 | -57.6 | 170.8 | 0 | 0 | 0 | 108.4 | L27 I28 L29 I56 I72 L77 | L27-I54 PolarHBondContact O-N 3.18Å; I28-I54 WeakPolarHBondContact CA-O 3.26Å; I28-I54 HydrophobicContact CG1-CB 4.32Å; L29-I54 PolarHBondContact N-O 2.75Å; L29-I54 VanDerWaalsContact N-O 3.11Å; I54-I56 HydrophobicContact CG2-CD1 4.3Å; I54-I56 HydrophobicContact CG2-CG1 3.88Å; I54-I72 HydrophobicContact CD1-CD1 4.12Å; I54-I72 HydrophobicContact CG2-CD1 4.48Å; I54-L77 HydrophobicContact CD1-CD1 3.84Å |
| 55 | V | 98.2 | Very high | 96.8 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.5 | 171.4 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L29 E31 A47 P52 | L29-V55 VanDerWaalsContact O-CA 3.24Å; L29-V55 WeakPolarHBondContact O-CA 3.45Å; E31-V55 HydrophobicContact CG-CG1 3.6Å; A47-V55 HydrophobicContact CB-CG2 4.08Å; P52-V55 HydrophobicContact CB-CG2 4.27Å; P52-V55 HydrophobicContact CG-CG2 3.59Å |
| 56 | I | 98.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 20% | 0.195 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.3 | -176.2 | -62 | 179.8 | 0 | 0 | 0 | 109.8 | I28 L29 S30 E31 I54 W67 | I28-I56 HydrophobicContact CG2-CD1 3.82Å; I28-I56 HydrophobicContact CG2-CG1 4.26Å; L29-I56 PolarHBondContact O-N 3.06Å; S30-I56 CarbonylContact C-O 3.51Å; S30-I56 VanDerWaalsContact CA-O 3.26Å; S30-I56 WeakPolarHBondContact CA-O 3.43Å; E31-I56 PolarHBondContact N-O 3.07Å; I54-I56 HydrophobicContact CG2-CD1 4.3Å; I54-I56 HydrophobicContact CG2-CG1 3.88Å; I56-W67 HydrophobicContact CB-CH2 4.19Å; I56-W67 HydrophobicContact CB-CZ3 4.15Å; I56-W67 HydrophobicContact CD1-CE3 4.31Å; I56-W67 HydrophobicContact CD1-CH2 4.39Å; I56-W67 HydrophobicContact CD1-CZ3 3.67Å; I56-W67 HydrophobicContact CG1-CZ3 4.44Å; I56-W67 HydrophobicContact CG2-CH2 3.74Å; I56-W67 HydrophobicContact CG2-CZ3 4.09Å |
| 57 | S | 98.2 | Very high | 96.5 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | trans | -110.4 | 170 | 176 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | E31 | E31-S57 VanDerWaalsContact CD-CB 3.5Å; E31-S57 WeakPolarHBondContact OE2-CB 3.38Å | ||
| 58 | G | 97.8 | Very high | 96.3 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 93% | 0.928 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 76 | 30.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 59 | C | 97.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -131.7 | 168.6 | 176.3 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | S30 A32 A63 W67 | S30-C59 WeakPolarHBondContact CB-SG 3.37Å; A32-C59 VanDerWaalsContact CB-O 3.3Å; A32-C59 WeakPolarHBondContact CB-O 3.4Å; C59-A63 HydrophobicContact CB-CB 3.88Å; C59-W67 HydrophobicContact CB-CH2 3.96Å; C59-W67 HydrophobicContact CB-CZ2 3.62Å |
| 60 | D | 97.7 | Very high | 96.3 | Very high | 139 Ų | 139 | 68.4 Ų | 68.4 | 74% | 0.743 | 38% | 0.38 | S | S | * | . | trans | -68.6 | 162.7 | 172.1 | -64.4 | -36.6 | 0 | 0 | 0 | 111.5 | Y62 A63 | D60-Y62 PolarHBondContact O-N 3.44Å; D60-A63 HydrophobicContact CB-CB 4.42Å; D60-A63 VanDerWaalsContact O-CB 3.26Å; D60-A63 WeakPolarHBondContact O-CB 3.49Å; D60-A63 PolarHBondContact O-N 2.85Å | ||
| 61 | V | 96.3 | Very high | 96.3 | Very high | 65 Ų | 65 | 73.5 Ų | 73.5 | 39% | 0.394 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 130.8 | 177.2 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | A32 D36 A63 | A32-V61 HydrophobicContact CB-CG2 4.29Å; D36-V61 HydrophobicContact CB-CB 4.44Å; D36-V61 HydrophobicContact CB-CG1 3.34Å; D36-V61 HydrophobicContact CB-CG2 4.16Å; V61-A63 PolarHBondContact O-N 3.15Å |
| 62 | Y | 94.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 24% | 0.243 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 16.1 | -177.2 | -45.5 | -64 | 0 | 0 | 0 | 115.2 | S33 D36 R40 D60 E64 D65 | S33-Y62 VanDerWaalsContact OG-CA 3.3Å; S33-Y62 WeakPolarHBondContact OG-CA 3.42Å; S33-Y62 VanDerWaalsContact OG-CD1 3.31Å; S33-Y62 WeakPolarHBondContact OG-CD1 3.49Å; S33-Y62 PolarHBondContact OG-N 2.77Å; D36-Y62 PolarHBondContact OD2-OH 3.24Å; R40-Y62 PolarHBondContact NH2-OH 3.25Å; D60-Y62 PolarHBondContact O-N 3.44Å; Y62-E64 WeakPolarHBondContact CA-OE2 3.2Å; Y62-E64 PolarHBondContact O-N 3.06Å; Y62-E64 VanDerWaalsContact O-N 3.07Å; Y62-D65 WeakPolarHBondContact O-CB 3.43Å; Y62-D65 PolarHBondContact O-N 2.97Å |
| 63 | A | 95 | Very high | 96.3 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -56 | -29.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C59 D60 V61 D65 S66 W67 | C59-A63 HydrophobicContact CB-CB 3.88Å; D60-A63 HydrophobicContact CB-CB 4.42Å; D60-A63 VanDerWaalsContact O-CB 3.26Å; D60-A63 WeakPolarHBondContact O-CB 3.49Å; D60-A63 PolarHBondContact O-N 2.85Å; V61-A63 PolarHBondContact O-N 3.15Å; A63-D65 PolarHBondContact O-N 3.37Å; A63-S66 PolarHBondContact O-N 3.45Å; A63-S66 VanDerWaalsContact O-N 3.09Å; A63-S66 PolarHBondContact O-OG 3.06Å; A63-W67 HydrophobicContact CB-CH2 4.43Å; A63-W67 HydrophobicContact CB-CZ2 3.63Å; A63-W67 VanDerWaalsContact O-CD1 3.32Å; A63-W67 PolarHBondContact O-NE1 3.11Å |
| 64 | E | 93.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 73.4 Ų | 73.4 | 10% | 0.098 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -58.7 | -25.2 | 177.8 | 66.5 | -93 | -138 | 0 | 0 | 115 | S30 S33 Y62 S66 W67 | S30-E64 WeakPolarHBondContact CB-OE2 3.24Å; S30-E64 PolarHBondContact N-OE1 3Å; S30-E64 VanDerWaalsContact OG-CD 3.31Å; S30-E64 PolarHBondContact OG-OE1 2.95Å; S30-E64 PolarHBondContact OG-OE2 3.42Å; S33-E64 VanDerWaalsContact CB-OE1 3.23Å; S33-E64 WeakPolarHBondContact CB-OE1 3.37Å; S33-E64 PolarHBondContact OG-OE1 3.44Å; S33-E64 PolarHBondContact OG-OE2 3.45Å; Y62-E64 WeakPolarHBondContact CA-OE2 3.2Å; Y62-E64 PolarHBondContact O-N 3.06Å; Y62-E64 VanDerWaalsContact O-N 3.07Å; E64-S66 PolarHBondContact O-N 3.21Å; E64-W67 HydrophobicContact CB-CD2 4.36Å; E64-W67 HydrophobicContact CB-CE3 3.66Å; E64-W67 HydrophobicContact CB-CH2 4.35Å; E64-W67 HydrophobicContact CB-CZ3 3.63Å; E64-W67 PolarHBondContact O-N 2.88Å |
| 65 | D | 92.7 | Very high | 96.3 | Very high | 59 Ų | 59 | 75.1 Ų | 75.1 | 32% | 0.316 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -71.7 | -19.4 | -179.9 | -65.5 | -20.3 | 0 | 0 | 0 | 111.8 | Y62 A63 R79 H114 | Y62-D65 WeakPolarHBondContact O-CB 3.43Å; Y62-D65 PolarHBondContact O-N 2.97Å; A63-D65 PolarHBondContact O-N 3.37Å; D65-R79 PolarHBondContact O-NE 3Å; D65-H114 IonicContact OD2-CD2 3.86Å; D65-H114 PolarHBondContact OD2-CD2 2.78Å; D65-H114 VanDerWaalsContact OD2-CD2 3.27Å; D65-H114 IonicContact OD2-NE2 3.6Å |
| 66 | S | 92.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 80.1 Ų | 80.1 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -98.3 | -7.9 | 179.3 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | A63 E64 D68 | A63-S66 PolarHBondContact O-N 3.45Å; A63-S66 VanDerWaalsContact O-N 3.09Å; A63-S66 PolarHBondContact O-OG 3.06Å; E64-S66 PolarHBondContact O-N 3.21Å; S66-D68 PolarHBondContact O-N 3.03Å |
| 67 | W | 94.8 | Very high | 96.1 | Very high | 55 Ų | 55 | 79.7 Ų | 79.7 | 21% | 0.208 | 46% | 0.463 | C | S | . | . | trans | -83.7 | 81 | -174.8 | -63.1 | -19.5 | 0 | 0 | 0 | 111.7 | I28 I56 C59 A63 E64 E69 L70 R79 | I28-W67 HydrophobicContact CG2-CZ3 4.48Å; I56-W67 HydrophobicContact CB-CH2 4.19Å; I56-W67 HydrophobicContact CB-CZ3 4.15Å; I56-W67 HydrophobicContact CD1-CE3 4.31Å; I56-W67 HydrophobicContact CD1-CH2 4.39Å; I56-W67 HydrophobicContact CD1-CZ3 3.67Å; I56-W67 HydrophobicContact CG1-CZ3 4.44Å; I56-W67 HydrophobicContact CG2-CH2 3.74Å; I56-W67 HydrophobicContact CG2-CZ3 4.09Å; C59-W67 HydrophobicContact CB-CH2 3.96Å; C59-W67 HydrophobicContact CB-CZ2 3.62Å; A63-W67 HydrophobicContact CB-CH2 4.43Å; A63-W67 HydrophobicContact CB-CZ2 3.63Å; A63-W67 VanDerWaalsContact O-CD1 3.32Å; A63-W67 PolarHBondContact O-NE1 3.11Å; E64-W67 HydrophobicContact CB-CD2 4.36Å; E64-W67 HydrophobicContact CB-CE3 3.66Å; E64-W67 HydrophobicContact CB-CH2 4.35Å; E64-W67 HydrophobicContact CB-CZ3 3.63Å; E64-W67 PolarHBondContact O-N 2.88Å; W67-E69 VanDerWaalsContact C-N 3.31Å; W67-E69 PolarHBondContact O-N 3.48Å; W67-L70 HydrophobicContact CB-CD1 4.04Å; W67-L70 HydrophobicContact CB-CD2 3.73Å; W67-L70 HydrophobicContact CB-CG 3.83Å; W67-L70 HydrophobicContact CD2-CD1 4.42Å; W67-L70 HydrophobicContact CD2-CD2 3.82Å; W67-L70 HydrophobicContact CE3-CD1 3.81Å; W67-L70 HydrophobicContact CE3-CD2 3.89Å; W67-L70 HydrophobicContact CE3-CG 4.41Å; W67-L70 HydrophobicContact CG-CD2 3.79Å; W67-L70 HydrophobicContact CG-CG 4.4Å; W67-R79 VanDerWaalsContact O-CB 3.29Å; W67-R79 WeakPolarHBondContact O-CB 3.38Å | ||
| 68 | D | 94.9 | Very high | 95.9 | Very high | 87 Ų | 87 | 83.4 Ų | 83.4 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -62.4 | -37.1 | -179.4 | -70.7 | -27.9 | 0 | 0 | 0 | 113.2 | S66 K78 R79 | S66-D68 PolarHBondContact O-N 3.03Å; D68-K78 WeakPolarHBondContact O-CA 3.39Å; D68-R79 PolarHBondContact O-N 3.44Å; D68-R79 IonicContact OD1-CZ 2.91Å; D68-R79 IonicContact OD1-NE 3.13Å; D68-R79 PolarHBondContact OD1-NE 3.39Å; D68-R79 IonicContact OD1-NH2 3.36Å; D68-R79 PolarHBondContact OD1-NH2 3.09Å |
| 69 | E | 96.2 | Very high | 95.7 | Very high | 148 Ų | 148 | 81.3 Ų | 81.3 | 69% | 0.692 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.3 | 175.9 | -64.9 | -178.3 | 170.6 | 0 | 0 | 110.1 | W67 L77 | W67-E69 VanDerWaalsContact C-N 3.31Å; W67-E69 PolarHBondContact O-N 3.48Å; E69-L77 CarbonylContact C-O 3.59Å; E69-L77 WeakPolarHBondContact CA-O 3.29Å |
| 70 | L | 96.7 | Very high | 95.4 | Very high | 36 Ų | 36 | 81.5 Ų | 81.5 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.2 | -178.8 | -72.2 | 169.9 | 0 | 0 | 0 | 110.1 | I28 W67 E76 L77 | I28-L70 HydrophobicContact CD1-CD1 3.56Å; W67-L70 HydrophobicContact CB-CD1 4.04Å; W67-L70 HydrophobicContact CB-CD2 3.73Å; W67-L70 HydrophobicContact CB-CG 3.83Å; W67-L70 HydrophobicContact CD2-CD1 4.42Å; W67-L70 HydrophobicContact CD2-CD2 3.82Å; W67-L70 HydrophobicContact CE3-CD1 3.81Å; W67-L70 HydrophobicContact CE3-CD2 3.89Å; W67-L70 HydrophobicContact CE3-CG 4.41Å; W67-L70 HydrophobicContact CG-CD2 3.79Å; W67-L70 HydrophobicContact CG-CG 4.4Å; L70-E76 CarbonylContact O-C 3.56Å; L70-E76 WeakPolarHBondContact O-CA 3.32Å; L70-L77 HydrophobicContact CB-CB 4.31Å; L70-L77 PolarHBondContact N-O 3.23Å; L70-L77 PolarHBondContact O-N 3.42Å |
| 71 | L | 97.8 | Very high | 95 | Very high | 120 Ų | 120 | 78 Ų | 78 | 63% | 0.628 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119 | 172.2 | -178 | 65.6 | 0 | 0 | 0 | 109.7 | G73 V75 E76 | L71-G73 WeakPolarHBondContact CD1-O 3.39Å; L71-G73 WeakPolarHBondContact CG-O 3.4Å; L71-V75 WeakPolarHBondContact CA-O 3.49Å; L71-E76 HydrophobicContact CD1-CG 3.84Å |
| 72 | I | 96.8 | Very high | 94.7 | Very high | 75 Ų | 75 | 76.7 Ų | 76.7 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 100.6 | 176.5 | -53.1 | 177.4 | 0 | 0 | 0 | 108.1 | I54 D74 V75 L77 | I54-I72 HydrophobicContact CD1-CD1 4.12Å; I54-I72 HydrophobicContact CG2-CD1 4.48Å; I72-D74 PolarHBondContact O-N 2.88Å; I72-V75 PolarHBondContact N-O 3.17Å; I72-V75 PolarHBondContact O-N 3.42Å; I72-L77 HydrophobicContact CD1-CD1 3.99Å |
| 73 | G | 97.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 76.7 Ų | 76.7 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -117.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L71 | L71-G73 WeakPolarHBondContact CD1-O 3.39Å; L71-G73 WeakPolarHBondContact CG-O 3.4Å |
| 74 | D | 97.6 | Very high | 94 | Very high | 170 Ų | 170 | 81.1 Ų | 81.1 | 91% | 0.909 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 8.9 | 176.8 | -57.3 | -37.3 | 0 | 0 | 0 | 113 | I72 | I72-D74 PolarHBondContact O-N 2.88Š|
| 75 | V | 97.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 83.2 Ų | 83.2 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.2 | -176.8 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L71 I72 L77 | L71-V75 WeakPolarHBondContact CA-O 3.49Å; I72-V75 PolarHBondContact N-O 3.17Å; I72-V75 PolarHBondContact O-N 3.42Å; V75-L77 HydrophobicContact CG1-CD2 4.18Å; V75-L77 HydrophobicContact CG1-CG 4.37Å |
| 76 | E | 97.1 | Very high | 93.8 | Very high | 166 Ų | 166 | 83.2 Ų | 83.2 | 78% | 0.776 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.5 | 171.1 | -67.6 | 173.5 | -162.8 | 0 | 0 | 110.9 | L70 L71 | L70-E76 CarbonylContact O-C 3.56Å; L70-E76 WeakPolarHBondContact O-CA 3.32Å; L71-E76 HydrophobicContact CD1-CG 3.84Å |
| 77 | L | 96.2 | Very high | 93.9 | Very high | 29 Ų | 29 | 83.5 Ų | 83.5 | 15% | 0.152 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140 | 172.5 | -60.7 | 175.8 | 0 | 0 | 0 | 109 | F26 I28 I54 E69 L70 I72 V75 | F26-L77 HydrophobicContact CD2-CD2 4.2Å; F26-L77 HydrophobicContact CE2-CD2 4.36Å; I28-L77 HydrophobicContact CD1-CD1 4.04Å; I54-L77 HydrophobicContact CD1-CD1 3.84Å; E69-L77 CarbonylContact C-O 3.59Å; E69-L77 WeakPolarHBondContact CA-O 3.29Å; L70-L77 HydrophobicContact CB-CB 4.31Å; L70-L77 PolarHBondContact N-O 3.23Å; L70-L77 PolarHBondContact O-N 3.42Å; I72-L77 HydrophobicContact CD1-CD1 3.99Å; V75-L77 HydrophobicContact CG1-CD2 4.18Å; V75-L77 HydrophobicContact CG1-CG 4.37Å |
| 78 | K | 94.8 | Very high | 93.9 | Very high | 153 Ų | 153 | 85.4 Ų | 85.4 | 67% | 0.665 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.3 | 175.1 | 176.8 | 164.2 | -176.3 | 153.9 | 0 | 109.5 | D68 | D68-K78 WeakPolarHBondContact O-CA 3.39Å |
| 79 | R | 93 | Very high | 94 | Very high | 47 Ų | 47 | 81.3 Ų | 81.3 | 18% | 0.177 | 45% | 0.445 | C | S | . | . | trans | -66.6 | 140.4 | 172.9 | -169.3 | -177.5 | 68.8 | 89.1 | 1 | 109.6 | D65 W67 D68 D116 H118 | D65-R79 PolarHBondContact O-NE 3Å; W67-R79 VanDerWaalsContact O-CB 3.29Å; W67-R79 WeakPolarHBondContact O-CB 3.38Å; D68-R79 PolarHBondContact O-N 3.44Å; D68-R79 IonicContact OD1-CZ 2.91Å; D68-R79 IonicContact OD1-NE 3.13Å; D68-R79 PolarHBondContact OD1-NE 3.39Å; D68-R79 IonicContact OD1-NH2 3.36Å; D68-R79 PolarHBondContact OD1-NH2 3.09Å; R79-D116 IonicContact CZ-OD1 3.03Å; R79-D116 VanDerWaalsContact NH1-CG 3.34Å; R79-D116 IonicContact NH1-OD1 3.47Å; R79-D116 PolarHBondContact NH1-OD1 3.01Å; R79-D116 IonicContact NH1-OD2 2.88Å; R79-D116 PolarHBondContact NH1-OD2 2.83Å; R79-D116 VanDerWaalsContact NH1-OD2 3.13Å; R79-D116 IonicContact NH2-OD1 2.8Å; R79-H118 PolarHBondContact NH2-CD2 3Å; R79-H118 PolarHBondContact NH2-NE2 3.17Å | ||
| 80 | V | 91.9 | Very high | 94 | Very high | 34 Ų | 34 | 74.5 Ų | 74.5 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | trans | -113.3 | -53.1 | -179.9 | -178 | 0 | 0 | 0 | 0 | 110.3 | L11 F12 | L11-V80 HydrophobicContact CB-CG1 3.47Å; L11-V80 VanDerWaalsContact CB-CG1 3.47Å; L11-V80 HydrophobicContact CD1-CG1 4.47Å; F12-V80 HydrophobicContact CD1-CG1 3.96Å; F12-V80 HydrophobicContact CD1-CG2 4.2Å; F12-V80 HydrophobicContact CD2-CG1 4.13Å; F12-V80 HydrophobicContact CE1-CB 4.12Å; F12-V80 HydrophobicContact CE1-CG1 3.76Å; F12-V80 HydrophobicContact CE1-CG2 3.99Å; F12-V80 HydrophobicContact CE2-CG1 3.92Å; F12-V80 HydrophobicContact CG-CG1 4.14Å; F12-V80 HydrophobicContact CZ-CB 4.3Å; F12-V80 HydrophobicContact CZ-CG1 3.73Å | ||
| 81 | M | 89 | Confident | 94 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | trans | -164.1 | 162.6 | -179.1 | 59.7 | 179.7 | -59.6 | 0 | 0 | 110.1 | A9 L11 F12 D116 | A9-M81 HydrophobicContact CB-SD 4.5Å; L11-M81 HydrophobicContact CD1-CB 3.92Å; F12-M81 HydrophobicContact CE2-SD 4.39Å; M81-D116 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 82 | A | 90 | Very high | 93.9 | Very high | 39 Ų | 39 | 70.3 Ų | 70.3 | 32% | 0.322 | 39% | 0.393 | S | S | . | . | trans | -63 | 153.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D116 | A82-D116 HydrophobicContact CB-CB 4.08Å; A82-D116 PolarHBondContact N-OD2 2.94Å | ||
| 83 | C | 88.1 | Confident | 93.8 | Very high | 62 Ų | 62 | 69.7 Ų | 69.7 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | trans | -94.1 | 104.3 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L27 R85 | L27-C83 HydrophobicContact CD1-CB 3.47Å; L27-C83 VanDerWaalsContact CD1-CB 3.47Å; C83-R85 WeakPolarHBondContact O-CD 3.46Å; C83-R85 PolarHBondContact O-N 3.48Å; C83-R85 PolarHBondContact SG-NH1 3.04Å; C83-R85 VanDerWaalsContact SG-NH1 3.36Å | ||
| 84 | S | 86.4 | Confident | 93.7 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 76% | 0.762 | 40% | 0.395 | S | S | * | . | trans | -61.5 | 131.1 | 171.1 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 85 | R | 90.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 25% | 0.249 | 38% | 0.378 | C | S | . | . | trans | -93.3 | 131.2 | -174.2 | -60.7 | -47.1 | -50.7 | -175.6 | 2.7 | 111.1 | F50 C83 T89 L104 L107 | F50-R85 VanDerWaalsContact CA-NH2 3.3Å; F50-R85 PolarHBondContact O-NH1 3.28Å; F50-R85 PolarHBondContact O-NH2 3.37Å; C83-R85 WeakPolarHBondContact O-CD 3.46Å; C83-R85 PolarHBondContact O-N 3.48Å; C83-R85 PolarHBondContact SG-NH1 3.04Å; C83-R85 VanDerWaalsContact SG-NH1 3.36Å; R85-T89 HydrophobicContact CB-CG2 4.24Å; R85-T89 VanDerWaalsContact NE-CG2 3.31Å; R85-L104 HydrophobicContact CB-CD1 4.05Å; R85-L104 WeakPolarHBondContact O-CD1 3.33Å; R85-L107 HydrophobicContact CB-CD1 4.25Å; R85-L107 HydrophobicContact CG-CD1 4.17Å | ||
| 86 | C | 91.1 | Very high | 93.5 | Very high | 58 Ų | 58 | 67.5 Ų | 67.5 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | trans | -106.5 | 176.5 | 177.8 | 76.1 | 0 | 0 | 0 | 0 | 112.2 | L88 T89 | C86-L88 PolarHBondContact O-N 2.76Å; C86-T89 PolarHBondContact O-N 3.25Å; C86-T89 VanDerWaalsContact O-N 3.14Å; C86-T89 PolarHBondContact O-OG1 3.06Å | ||
| 87 | I | 94.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 64.1 Ų | 64.1 | 46% | 0.456 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -56.8 | -22.4 | -179.5 | -163.9 | 167.9 | 0 | 0 | 0 | 114.1 | T89 T90 M98 | I87-T89 PolarHBondContact O-N 3.35Å; I87-T90 HydrophobicContact CG1-CG2 4.49Å; I87-T90 PolarHBondContact O-N 3.3Å; I87-T90 PolarHBondContact O-OG1 3.3Å; I87-M98 HydrophobicContact CD1-CE 4.41Å; I87-M98 HydrophobicContact CD1-SD 3.67Å; I87-M98 HydrophobicContact CG1-CE 4.2Å; I87-M98 HydrophobicContact CG1-SD 3.83Å; I87-M98 HydrophobicContact CG2-CE 4.39Å |
| 88 | L | 94.9 | Very high | 93.4 | Very high | 95 Ų | 95 | 67.3 Ų | 67.3 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -61.8 | -19.5 | 178.5 | -62.8 | -178.4 | 0 | 0 | 0 | 113.2 | C86 T90 V91 | C86-L88 PolarHBondContact O-N 2.76Å; L88-T90 PolarHBondContact O-N 2.98Å; L88-V91 PolarHBondContact O-N 3.29Å |
| 89 | T | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -62.4 | -24.2 | 171.5 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | N49 F50 R85 C86 I87 V91 P103 | N49-T89 PolarHBondContact ND2-O 3.38Å; F50-T89 HydrophobicContact CD1-CG2 3.87Å; F50-T89 HydrophobicContact CE1-CG2 3.84Å; R85-T89 HydrophobicContact CB-CG2 4.24Å; R85-T89 VanDerWaalsContact NE-CG2 3.31Å; C86-T89 PolarHBondContact O-N 3.25Å; C86-T89 VanDerWaalsContact O-N 3.14Å; C86-T89 PolarHBondContact O-OG1 3.06Å; I87-T89 PolarHBondContact O-N 3.35Å; T89-V91 VanDerWaalsContact C-N 3.33Å; T89-P103 VanDerWaalsContact O-CD 3.25Å; T89-P103 WeakPolarHBondContact O-CD 3.46Å |
| 90 | T | 96.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.037 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -85.7 | -5.2 | -178.3 | 79.3 | 0 | 0 | 0 | 0 | 113 | I87 L88 D92 M98 S99 E102 L104 | I87-T90 HydrophobicContact CG1-CG2 4.49Å; I87-T90 PolarHBondContact O-N 3.3Å; I87-T90 PolarHBondContact O-OG1 3.3Å; L88-T90 PolarHBondContact O-N 2.98Å; T90-D92 PolarHBondContact O-N 3.06Å; T90-M98 WeakPolarHBondContact OG1-CG 3.39Å; T90-S99 WeakPolarHBondContact O-CB 3.3Å; T90-S99 PolarHBondContact O-N 3.38Å; T90-S99 PolarHBondContact OG1-O 2.84Å; T90-S99 VanDerWaalsContact OG1-O 3.06Å; T90-E102 WeakPolarHBondContact CA-O 3.39Å; T90-E102 WeakPolarHBondContact CB-O 3.19Å; T90-E102 VanDerWaalsContact CG2-O 3.32Å; T90-E102 WeakPolarHBondContact CG2-O 3.35Å; T90-L104 HydrophobicContact CG2-CB 4.04Å |
| 91 | V | 97 | Very high | 92.7 | Very high | 37 Ų | 37 | 76.2 Ų | 76.2 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 123.4 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | N49 L88 T89 P93 M98 | N49-V91 PolarHBondContact ND2-O 2.96Å; L88-V91 PolarHBondContact O-N 3.29Å; T89-V91 VanDerWaalsContact C-N 3.33Å; V91-P93 VanDerWaalsContact O-CD 3.28Å; V91-P93 WeakPolarHBondContact O-CD 3.42Å; V91-M98 HydrophobicContact CG2-CB 4.23Å; V91-M98 HydrophobicContact CG2-CE 3.82Å; V91-M98 HydrophobicContact CG2-CG 4.25Å |
| 92 | D | 95.5 | Very high | 92.9 | Very high | 30 Ų | 30 | 76.9 Ų | 76.9 | 16% | 0.16 | 43% | 0.427 | C | S | . | . | trans | -70.9 | 116 | 172.6 | -178.4 | -58.9 | 0 | 0 | 0 | 109.1 | K43 T90 D94 T95 G96 V97 | K43-D92 IonicContact NZ-OD2 3.52Å; K43-D92 PolarHBondContact NZ-OD2 3.36Å; T90-D92 PolarHBondContact O-N 3.06Å; D92-D94 PolarHBondContact O-N 3.31Å; D92-D94 PolarHBondContact OD1-N 3.32Å; D92-T95 VanDerWaalsContact CB-OG1 3.29Å; D92-T95 WeakPolarHBondContact CB-OG1 3.41Å; D92-T95 VanDerWaalsContact CG-OG1 3.3Å; D92-T95 PolarHBondContact O-N 3.27Å; D92-T95 PolarHBondContact OD1-N 3.37Å; D92-T95 VanDerWaalsContact OD1-N 3.09Å; D92-T95 PolarHBondContact OD1-OG1 3.04Å; D92-G96 WeakPolarHBondContact O-CA 3.45Å; D92-G96 PolarHBondContact O-N 2.85Å; D92-V97 PolarHBondContact N-O 2.92Å | ||
| 93 | P | 94.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 75 Ų | 75 | 40% | 0.403 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.4 | -173.1 | -23 | 35.1 | 0 | 0 | 0 | 114.1 | V91 | V91-P93 VanDerWaalsContact O-CD 3.28Å; V91-P93 WeakPolarHBondContact O-CD 3.42Å |
| 94 | D | 95.3 | Very high | 93.4 | Very high | 122 Ų | 122 | 73.4 Ų | 73.4 | 65% | 0.652 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -26.9 | -176.6 | -61.6 | -40.1 | 0 | 0 | 0 | 110.8 | K46 D92 | K46-D94 IonicContact NZ-OD1 3.8Å; K46-D94 IonicContact NZ-OD2 2.82Å; K46-D94 PolarHBondContact NZ-OD2 3.32Å; D92-D94 PolarHBondContact O-N 3.31Å; D92-D94 PolarHBondContact OD1-N 3.32Å |
| 95 | T | 95.8 | Very high | 93.7 | Very high | 91 Ų | 91 | 71.5 Ų | 71.5 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -18 | -176.1 | 62.3 | 0 | 0 | 0 | 0 | 114.8 | D92 V97 | D92-T95 VanDerWaalsContact CB-OG1 3.29Å; D92-T95 WeakPolarHBondContact CB-OG1 3.41Å; D92-T95 VanDerWaalsContact CG-OG1 3.3Å; D92-T95 PolarHBondContact O-N 3.27Å; D92-T95 PolarHBondContact OD1-N 3.37Å; D92-T95 VanDerWaalsContact OD1-N 3.09Å; D92-T95 PolarHBondContact OD1-OG1 3.04Å; T95-V97 PolarHBondContact O-N 2.8Å; T95-V97 PolarHBondContact OG1-N 3.38Å |
| 96 | G | 95.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | trans | 70.5 | 6.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D92 | D92-G96 WeakPolarHBondContact O-CA 3.45Å; D92-G96 PolarHBondContact O-N 2.85Å | ||
| 97 | V | 96.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 67.2 Ų | 67.2 | 58% | 0.582 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 129.9 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | D92 T95 | D92-V97 PolarHBondContact N-O 2.92Å; T95-V97 PolarHBondContact O-N 2.8Å; T95-V97 PolarHBondContact OG1-N 3.38Å |
| 98 | M | 95.6 | Very high | 93.6 | Very high | 96 Ų | 96 | 68.2 Ų | 68.2 | 47% | 0.473 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 125.9 | 176 | -170.2 | 177.2 | -78.4 | 0 | 0 | 111.1 | I87 T90 V91 | I87-M98 HydrophobicContact CD1-CE 4.41Å; I87-M98 HydrophobicContact CD1-SD 3.67Å; I87-M98 HydrophobicContact CG1-CE 4.2Å; I87-M98 HydrophobicContact CG1-SD 3.83Å; I87-M98 HydrophobicContact CG2-CE 4.39Å; T90-M98 WeakPolarHBondContact OG1-CG 3.39Å; V91-M98 HydrophobicContact CG2-CB 4.23Å; V91-M98 HydrophobicContact CG2-CE 3.82Å; V91-M98 HydrophobicContact CG2-CG 4.25Å |
| 99 | S | 91.7 | Very high | 93 | Very high | 49 Ų | 49 | 70.6 Ų | 70.6 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 153.3 | 168.3 | 120.8 | 0 | 0 | 0 | 0 | 110.3 | T90 K101 E102 | T90-S99 WeakPolarHBondContact O-CB 3.3Å; T90-S99 PolarHBondContact O-N 3.38Å; T90-S99 PolarHBondContact OG1-O 2.84Å; T90-S99 VanDerWaalsContact OG1-O 3.06Å; S99-K101 VanDerWaalsContact C-N 3.32Å; S99-K101 PolarHBondContact O-N 2.9Å; S99-K101 PolarHBondContact OG-N 2.79Å; S99-E102 PolarHBondContact OG-N 3.31Å; S99-E102 PolarHBondContact OG-O 3.36Å |
| 100 | R | 84.6 | Confident | 91.8 | Very high | 248 Ų | 248 | 73.1 Ų | 73.1 | 94% | 0.936 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -62.4 | -35.8 | -177.9 | -79.6 | -168.7 | 175.3 | -145.7 | 0.2 | 113.5 | ||
| 101 | K | 86.9 | Confident | 90.2 | Very high | 124 Ų | 124 | 76.5 Ų | 76.5 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -154.2 | -38.3 | -163.4 | -78.3 | -164.4 | 173.8 | -157.1 | 0 | 115.6 | S99 L104 E105 | S99-K101 VanDerWaalsContact C-N 3.32Å; S99-K101 PolarHBondContact O-N 2.9Å; S99-K101 PolarHBondContact OG-N 2.79Å; K101-L104 WeakPolarHBondContact O-CA 3.34Å; K101-L104 WeakPolarHBondContact O-CB 3.34Å; K101-L104 PolarHBondContact O-N 3.14Å; K101-E105 HydrophobicContact CB-CG 3.64Å; K101-E105 HydrophobicContact CD-CG 3.78Å; K101-E105 HydrophobicContact CG-CG 4Å; K101-E105 IonicContact NZ-OE2 3.99Å; K101-E105 PolarHBondContact NZ-OE2 3.4Å; K101-E105 PolarHBondContact O-N 3.17Å; K101-E105 VanDerWaalsContact O-N 3.17Å |
| 102 | E | 94 | Very high | 87.9 | Confident | 78 Ų | 78 | 81.6 Ų | 81.6 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 143.6 | -177.4 | -65.8 | -57.5 | 158.1 | 0 | 0 | 112.5 | L41 T90 S99 T106 | L41-E102 WeakPolarHBondContact CD2-OE2 3.35Å; T90-E102 WeakPolarHBondContact CA-O 3.39Å; T90-E102 WeakPolarHBondContact CB-O 3.19Å; T90-E102 VanDerWaalsContact CG2-O 3.32Å; T90-E102 WeakPolarHBondContact CG2-O 3.35Å; S99-E102 PolarHBondContact OG-N 3.31Å; S99-E102 PolarHBondContact OG-O 3.36Å; E102-T106 PolarHBondContact OE1-OG1 2.91Å; E102-T106 WeakPolarHBondContact OE2-CB 3.44Å; E102-T106 PolarHBondContact OE2-N 3.06Å; E102-T106 PolarHBondContact OE2-OG1 2.9Å |
| 103 | P | 94.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 85.4 Ų | 85.4 | 1% | 0.006 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -88 | 7.7 | 8.6 | 36.9 | -38.1 | 0 | 0 | 0 | 115.1 | L37 L41 V45 F50 T89 T106 L107 | L37-P103 HydrophobicContact CD2-CB 4.43Å; L41-P103 HydrophobicContact CD1-CB 3.86Å; L41-P103 HydrophobicContact CD2-CB 4.15Å; V45-P103 HydrophobicContact CG1-CB 4.17Å; V45-P103 HydrophobicContact CG1-CG 4.07Å; F50-P103 HydrophobicContact CE1-CG 4.41Å; F50-P103 HydrophobicContact CZ-CG 3.99Å; T89-P103 VanDerWaalsContact O-CD 3.25Å; T89-P103 WeakPolarHBondContact O-CD 3.46Å; P103-T106 PolarHBondContact O-N 3.01Å; P103-L107 HydrophobicContact CB-CD1 4.41Å; P103-L107 HydrophobicContact CG-CD1 4.36Å; P103-L107 WeakPolarHBondContact O-CG 3.43Å; P103-L107 PolarHBondContact O-N 3.03Å; P103-L107 VanDerWaalsContact O-N 3.09Å |
| 104 | L | 93.7 | Very high | 83.7 | Confident | 27 Ų | 27 | 87.6 Ų | 87.6 | 14% | 0.141 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.1 | -36.2 | -167.4 | -169.4 | 64.9 | 0 | 0 | 0 | 113.8 | R85 T90 K101 L107 K108 | R85-L104 HydrophobicContact CB-CD1 4.05Å; R85-L104 WeakPolarHBondContact O-CD1 3.33Å; T90-L104 HydrophobicContact CG2-CB 4.04Å; K101-L104 WeakPolarHBondContact O-CA 3.34Å; K101-L104 WeakPolarHBondContact O-CB 3.34Å; K101-L104 PolarHBondContact O-N 3.14Å; L104-L107 PolarHBondContact O-N 3.22Å; L104-K108 WeakPolarHBondContact O-CG 3.43Å; L104-K108 PolarHBondContact O-N 2.63Å |
| 105 | E | 93.5 | Very high | 81.6 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 32% | 0.322 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 175.8 | -66.7 | -73.5 | 99 | 0 | 0 | 112 | K101 L107 K108 R109 | K101-E105 HydrophobicContact CB-CG 3.64Å; K101-E105 HydrophobicContact CD-CG 3.78Å; K101-E105 HydrophobicContact CG-CG 4Å; K101-E105 IonicContact NZ-OE2 3.99Å; K101-E105 PolarHBondContact NZ-OE2 3.4Å; K101-E105 PolarHBondContact O-N 3.17Å; K101-E105 VanDerWaalsContact O-N 3.17Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 2.88Å; E105-K108 PolarHBondContact O-N 2.8Å; E105-K108 IonicContact OE1-NZ 3.87Å; E105-K108 PolarHBondContact OE1-NZ 2.87Å; E105-R109 PolarHBondContact O-N 3.03Å |
| 106 | T | 93.6 | Very high | 79.8 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.031 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | L37 R40 L41 E102 P103 R109 | L37-T106 HydrophobicContact CD1-CG2 3.79Å; R40-T106 HydrophobicContact CB-CG2 4.22Å; L41-T106 HydrophobicContact CD2-CG2 4.07Å; L41-T106 WeakPolarHBondContact CD2-OG1 3.34Å; E102-T106 PolarHBondContact OE1-OG1 2.91Å; E102-T106 WeakPolarHBondContact OE2-CB 3.44Å; E102-T106 PolarHBondContact OE2-N 3.06Å; E102-T106 PolarHBondContact OE2-OG1 2.9Å; P103-T106 PolarHBondContact O-N 3.01Å; T106-R109 PolarHBondContact O-N 3.47Å |
| 107 | L | 91.7 | Very high | 77.8 | Confident | 30 Ų | 30 | 87.5 Ų | 87.5 | 16% | 0.157 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.7 | -76.5 | 162.3 | 0 | 0 | 0 | 113.5 | L37 F50 R85 P103 L104 E105 R109 E110 S111 | L37-L107 HydrophobicContact CD1-CD2 4.02Å; L37-L107 HydrophobicContact CD1-CG 4.08Å; L37-L107 HydrophobicContact CD2-CD1 4.4Å; L37-L107 HydrophobicContact CD2-CD2 4.06Å; L37-L107 HydrophobicContact CD2-CG 4.3Å; F50-L107 HydrophobicContact CE1-CD1 3.8Å; F50-L107 HydrophobicContact CZ-CD1 4.35Å; R85-L107 HydrophobicContact CB-CD1 4.25Å; R85-L107 HydrophobicContact CG-CD1 4.17Å; P103-L107 HydrophobicContact CB-CD1 4.41Å; P103-L107 HydrophobicContact CG-CD1 4.36Å; P103-L107 WeakPolarHBondContact O-CG 3.43Å; P103-L107 PolarHBondContact O-N 3.03Å; P103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 3.22Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 2.88Å; L107-R109 PolarHBondContact O-N 2.8Å; L107-E110 WeakPolarHBondContact O-CB 3.32Å; L107-E110 PolarHBondContact O-N 3.4Å; L107-S111 PolarHBondContact O-N 2.79Å; L107-S111 PolarHBondContact O-OG 3.13Å |
| 108 | K | 87.4 | Confident | 75.8 | Confident | 109 Ų | 109 | 87.4 Ų | 87.4 | 47% | 0.474 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.1 | -37.4 | 179 | -75.9 | 173.5 | -171.4 | 167.6 | 0 | 112.7 | L104 E105 E110 | L104-K108 WeakPolarHBondContact O-CG 3.43Å; L104-K108 PolarHBondContact O-N 2.63Å; E105-K108 PolarHBondContact O-N 2.8Å; E105-K108 IonicContact OE1-NZ 3.87Å; E105-K108 PolarHBondContact OE1-NZ 2.87Å; K108-E110 PolarHBondContact O-N 3.3Å |
| 109 | R | 83.2 | Confident | 73.5 | Confident | 146 Ų | 146 | 87.5 Ų | 87.5 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.5 | -23.7 | 178.1 | -173.5 | 173.6 | 62.8 | -133.4 | -2.7 | 112.8 | E105 T106 L107 | E105-R109 PolarHBondContact O-N 3.03Å; T106-R109 PolarHBondContact O-N 3.47Å; L107-R109 PolarHBondContact O-N 2.8Å |
| 110 | E | 70.8 | Confident | 72.6 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 25% | 0.248 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -98.3 | -33 | -176.5 | -54.4 | -61.8 | 146.6 | 0 | 0 | 112.6 | R40 L107 K108 D112 V113 H114 | R40-E110 IonicContact NH1-OE1 3.48Å; R40-E110 PolarHBondContact NH1-OE1 3.23Å; R40-E110 VanDerWaalsContact NH1-OE1 3.11Å; R40-E110 IonicContact NH1-OE2 3.9Å; R40-E110 PolarHBondContact NH1-OE2 2.84Å; L107-E110 WeakPolarHBondContact O-CB 3.32Å; L107-E110 PolarHBondContact O-N 3.4Å; K108-E110 PolarHBondContact O-N 3.3Å; E110-D112 PolarHBondContact O-N 3.01Å; E110-D112 VanDerWaalsContact O-N 3.15Å; E110-V113 WeakPolarHBondContact O-CA 3.36Å; E110-V113 WeakPolarHBondContact O-CB 3.38Å; E110-V113 PolarHBondContact O-N 3.09Å; E110-H114 PolarHBondContact O-N 2.94Å |
| 111 | S | 61.7 | Low | 72 | Confident | 77 Ų | 77 | 81.1 Ų | 81.1 | 54% | 0.538 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.9 | -22.6 | 178 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | L107 V113 | L107-S111 PolarHBondContact O-N 2.79Å; L107-S111 PolarHBondContact O-OG 3.13Å; S111-V113 PolarHBondContact O-N 3.09Å |
| 112 | D | 49.9 | Very low | 71.2 | Confident | 143 Ų | 143 | 78.7 Ų | 78.7 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.5 | 172.1 | -71 | -22.4 | 0 | 0 | 0 | 113.2 | E110 | E110-D112 PolarHBondContact O-N 3.01Å; E110-D112 VanDerWaalsContact O-N 3.15Å |
| 113 | V | 48.1 | Very low | 69.8 | Low | 111 Ų | 111 | 78.7 Ų | 78.7 | 67% | 0.673 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -25.5 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 112.8 | E110 S111 | E110-V113 WeakPolarHBondContact O-CA 3.36Å; E110-V113 WeakPolarHBondContact O-CB 3.38Å; E110-V113 PolarHBondContact O-N 3.09Å; S111-V113 PolarHBondContact O-N 3.09Å |
| 114 | H | 53.4 | Low | 68.2 | Low | 107 Ų | 107 | 83.6 Ų | 83.6 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | trans | -114.6 | 86.8 | -179.8 | -122 | 72.7 | 0 | 0 | 0 | 110 | D65 E110 | D65-H114 IonicContact OD2-CD2 3.86Å; D65-H114 PolarHBondContact OD2-CD2 2.78Å; D65-H114 VanDerWaalsContact OD2-CD2 3.27Å; D65-H114 IonicContact OD2-NE2 3.6Å; E110-H114 PolarHBondContact O-N 2.94Å | ||
| 115 | T | 52 | Low | 66.5 | Low | 123 Ų | 123 | 87.3 Ų | 87.3 | 76% | 0.755 | 49% | 0.491 | S | S | * | . | trans | -82.7 | 115.2 | 174.6 | 35.3 | 0 | 0 | 0 | 0 | 110.3 | P117 | T115-P117 WeakPolarHBondContact O-CD 3.39Š| ||
| 116 | D | 58.3 | Low | 64.6 | Low | 30 Ų | 30 | 88.6 Ų | 88.6 | 16% | 0.16 | 50% | 0.503 | C | S | . | . | trans | -64.5 | 121.8 | 170.1 | -175.4 | -7.4 | 0 | 0 | 0 | 108.6 | R79 M81 A82 H118 G119 | R79-D116 IonicContact CZ-OD1 3.03Å; R79-D116 VanDerWaalsContact NH1-CG 3.34Å; R79-D116 IonicContact NH1-OD1 3.47Å; R79-D116 PolarHBondContact NH1-OD1 3.01Å; R79-D116 IonicContact NH1-OD2 2.88Å; R79-D116 PolarHBondContact NH1-OD2 2.83Å; R79-D116 VanDerWaalsContact NH1-OD2 3.13Å; R79-D116 IonicContact NH2-OD1 2.8Å; M81-D116 WeakPolarHBondContact CA-OD2 3.47Å; A82-D116 HydrophobicContact CB-CB 4.08Å; A82-D116 PolarHBondContact N-OD2 2.94Å; D116-H118 PolarHBondContact O-N 3.35Å; D116-H118 WeakPolarHBondContact OD1-CB 3.41Å; D116-H118 IonicContact OD1-CD2 2.77Å; D116-H118 IonicContact OD1-CG 3.42Å; D116-H118 PolarHBondContact OD1-N 3.22Å; D116-G119 PolarHBondContact O-N 3.01Å | ||
| 117 | P | 53.7 | Low | 62.4 | Low | 116 Ų | 116 | 95.1 Ų | 95.1 | 75% | 0.753 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.8 | 176.5 | 21.4 | -28.1 | 0 | 0 | 0 | 113.2 | T115 | T115-P117 WeakPolarHBondContact O-CD 3.39Š|
| 118 | H | 53.8 | Low | 60 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 43% | 0.431 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.1 | -1.9 | 179.7 | -58.2 | -87.3 | 0 | 0 | 0 | 115 | L11 R79 D116 | L11-H118 WeakPolarHBondContact CD1-O 3.23Å; R79-H118 PolarHBondContact NH2-CD2 3Å; R79-H118 PolarHBondContact NH2-NE2 3.17Å; D116-H118 PolarHBondContact O-N 3.35Å; D116-H118 WeakPolarHBondContact OD1-CB 3.41Å; D116-H118 IonicContact OD1-CD2 2.77Å; D116-H118 IonicContact OD1-CG 3.42Å; D116-H118 PolarHBondContact OD1-N 3.22Å |
| 119 | G | 47.2 | Very low | 57.5 | Low | 98 Ų | 98 | 99.7 Ų | 99.7 | 100% | 1.01 | 58% | 0.58 | S | S | * | * | trans | 143 | 0 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D116 | D116-G119 PolarHBondContact O-N 3.01Š|
Retrieved 119 of 119 residues in 109.1 ms
(Link to these results)