| 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 | 57.4 | Low | 55.5 | Low | 237 Ų | 237 | 165.5 Ų | 165.5 | 100% | 1.167 | 81% | 0.806 | S | S | * | * | 0 | 106.6 | 0 | -66 | 67.6 | 167.3 | 0 | 0 | 109.1 | |||||
| 2 | R | 53.4 | Low | 56.2 | Low | 249 Ų | 249 | 158.8 Ų | 158.8 | 94% | 0.94 | 78% | 0.784 | S | S | * | * | trans | -96.8 | 114.1 | 176.6 | -69.7 | -178.8 | 174.2 | -171.2 | -1.6 | 108.6 | ||||
| 3 | K | 51 | Low | 58 | Low | 197 Ų | 197 | 157.8 Ų | 157.8 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -69 | 126.1 | 175.4 | -70.5 | -179.3 | 176.1 | -178.8 | 0 | 108.9 | T5 | K3-T5 PolarHBondContact O-N 3.19Š| ||
| 4 | P | 50.6 | Low | 60.3 | Low | 117 Ų | 117 | 150.3 Ų | 150.3 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -74.7 | 109 | 171.2 | 15.2 | -4.2 | 0 | 0 | 0 | 107.9 | T6 | P4-T6 VanDerWaalsContact C-N 3.29Å; P4-T6 PolarHBondContact O-N 3.46Å | ||
| 5 | T | 55.1 | Low | 62.6 | Low | 121 Ų | 121 | 140.3 Ų | 140.3 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | -72.8 | 92.3 | 163.4 | 49.9 | 0 | 0 | 0 | 0 | 106.8 | K3 R7 | K3-T5 PolarHBondContact O-N 3.19Å; T5-R7 PolarHBondContact O-N 2.68Å | ||
| 6 | T | 56.4 | Low | 64.6 | Low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -61.3 | 94.4 | 164.6 | 52.3 | 0 | 0 | 0 | 0 | 106.4 | P4 G8 | P4-T6 VanDerWaalsContact C-N 3.29Å; P4-T6 PolarHBondContact O-N 3.46Å; T6-G8 PolarHBondContact O-N 2.99Å | ||
| 7 | R | 59.5 | Low | 66.3 | Low | 233 Ų | 233 | 131.4 Ų | 131.4 | 88% | 0.879 | 65% | 0.648 | S | S | * | * | trans | -62 | 77.1 | 158.3 | -92.6 | 179 | -84.9 | -175.8 | -6.2 | 105.9 | T5 K9 | T5-R7 PolarHBondContact O-N 2.68Å; R7-K9 PolarHBondContact O-N 3.17Å; R7-K9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | G | 54.2 | Low | 67.9 | Low | 50 Ų | 50 | 124.1 Ų | 124.1 | 52% | 0.515 | 61% | 0.612 | S | S | . | * | trans | -54.2 | 123.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | T6 Q10 | T6-G8 PolarHBondContact O-N 2.99Å; G8-Q10 PolarHBondContact O-N 3.39Å | ||
| 9 | K | 52.4 | Low | 69.3 | Low | 206 Ų | 206 | 125.6 Ų | 125.6 | 90% | 0.896 | 61% | 0.611 | S | S | * | * | trans | -52 | 96.3 | 163.7 | -80.5 | 179.9 | 175.2 | -175.9 | 0 | 105.4 | R7 E11 | R7-K9 PolarHBondContact O-N 3.17Å; R7-K9 VanDerWaalsContact O-N 3.17Å; K9-E11 VanDerWaalsContact C-N 3.3Å; K9-E11 PolarHBondContact O-N 3.42Å | ||
| 10 | Q | 58.1 | Low | 70.6 | Confident | 149 Ų | 149 | 126.2 Ų | 126.2 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | trans | -62 | 105.9 | 169.3 | -66.8 | -88.5 | -36.2 | 0 | 0 | 102.8 | G8 | G8-Q10 PolarHBondContact O-N 3.39Š| ||
| 11 | E | 62.4 | Low | 71.7 | Confident | 132 Ų | 132 | 125.3 Ų | 125.3 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | trans | -48.3 | 135.6 | 167.9 | -77.8 | -167.7 | 95 | 0 | 0 | 106.9 | K9 K13 | K9-E11 VanDerWaalsContact C-N 3.3Å; K9-E11 PolarHBondContact O-N 3.42Å; E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 WeakPolarHBondContact O-CG 3.38Å; E11-K13 PolarHBondContact O-N 2.94Å | ||
| 12 | P | 63.5 | Low | 73.4 | Confident | 85 Ų | 85 | 117.2 Ų | 117.2 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | trans | -61.7 | 97.6 | -178.1 | 24.9 | -32.1 | 0 | 0 | 0 | 107.7 | I14 V32 | P12-I14 PolarHBondContact O-N 2.76Å; P12-V32 WeakPolarHBondContact O-CG1 3.09Å | ||
| 13 | K | 79.8 | Confident | 75.4 | Confident | 147 Ų | 147 | 106.4 Ų | 106.4 | 64% | 0.639 | 56% | 0.556 | S | S | * | * | trans | -67.5 | 0.7 | 173.4 | -63.1 | -179.6 | -178.1 | 171.6 | 0 | 112.1 | E11 | E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 WeakPolarHBondContact O-CG 3.38Å; E11-K13 PolarHBondContact O-N 2.94Å | ||
| 14 | I | 90.9 | Very high | 77.4 | Confident | 52 Ų | 52 | 100.6 Ų | 100.6 | 27% | 0.267 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -119.1 | 146 | -175.2 | 64.4 | 169 | 0 | 0 | 0 | 110.8 | P12 V16 F28 H31 | P12-I14 PolarHBondContact O-N 2.76Å; I14-V16 PolarHBondContact O-N 3.23Å; I14-F28 CarbonylContact C-O 3.53Å; I14-F28 WeakPolarHBondContact CA-O 3.41Å; I14-F28 HydrophobicContact CB-CD2 4.07Å; I14-F28 HydrophobicContact CG2-CD2 4.2Å; I14-F28 HydrophobicContact CG2-CE2 4.39Å; I14-H31 CarbonylContact C-O 3.31Å; I14-H31 VanDerWaalsContact C-O 3.31Å |
| 15 | C | 94.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 102.1 Ų | 102.1 | 0% | 0 | 54% | 0.535 | C | S | . | . | trans | -80.1 | 101.7 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | F17 C18 R19 F28 H31 | C15-F17 PolarHBondContact O-N 3.29Å; C15-C18 HydrophobicContact CB-CB 4.09Å; C15-C18 PolarHBondContact O-N 3.35Å; C15-C18 PolarHBondContact SG-N 3.39Å; C15-R19 WeakPolarHBondContact O-CB 3.49Å; C15-R19 PolarHBondContact O-N 2.73Å; C15-F28 HydrophobicContact CB-CB 4.49Å; C15-F28 PolarHBondContact N-O 3.22Å; C15-H31 WeakPolarHBondContact CB-CD2 3.41Å; C15-H31 WeakPolarHBondContact CB-NE2 3.37Å; C15-H31 WeakPolarHBondContact CB-O 3.4Å; C15-H31 PolarHBondContact N-O 3.09Å; C15-H31 PolarHBondContact SG-NE2 3.12Å | ||
| 16 | V | 93.4 | Very high | 81.1 | Confident | 80 Ų | 80 | 104.5 Ų | 104.5 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.5 | -33.4 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | I14 N20 | I14-V16 PolarHBondContact O-N 3.23Å; V16-N20 VanDerWaalsContact O-CB 3.26Å; V16-N20 WeakPolarHBondContact O-CB 3.31Å; V16-N20 PolarHBondContact O-N 3.39Å |
| 17 | F | 94.7 | Very high | 82.8 | Confident | 49 Ų | 49 | 101 Ų | 101 | 22% | 0.215 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -64.3 | -52.2 | 177.7 | 179.3 | -100.3 | 0 | 0 | 0 | 111.7 | C15 R19 N20 N21 L33 I44 L45 T62 | C15-F17 PolarHBondContact O-N 3.29Å; F17-R19 VanDerWaalsContact C-N 3.35Å; F17-R19 PolarHBondContact O-N 3.26Å; F17-N20 PolarHBondContact O-N 3.48Å; F17-N21 PolarHBondContact O-N 3.4Å; F17-N21 VanDerWaalsContact O-N 3.11Å; F17-N21 PolarHBondContact O-ND2 3.42Å; F17-L33 HydrophobicContact CB-CD1 3.52Å; F17-L33 HydrophobicContact CB-CD2 4.18Å; F17-L33 HydrophobicContact CB-CG 4.37Å; F17-L33 HydrophobicContact CG-CD1 4.33Å; F17-I44 HydrophobicContact CE1-CB 4.33Å; F17-I44 HydrophobicContact CE1-CG2 3.97Å; F17-L45 HydrophobicContact CD1-CB 4.26Å; F17-L45 HydrophobicContact CE1-CB 4.24Å; F17-L45 HydrophobicContact CE2-CD1 4.2Å; F17-L45 HydrophobicContact CZ-CD1 4.14Å; F17-T62 HydrophobicContact CE2-CG2 3.83Å; F17-T62 HydrophobicContact CZ-CG2 4.41Å |
| 18 | C | 94.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 91.1 Ų | 91.1 | 1% | 0.007 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.2 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | C15 N20 N21 G22 A23 F28 H31 C42 | C15-C18 HydrophobicContact CB-CB 4.09Å; C15-C18 PolarHBondContact O-N 3.35Å; C15-C18 PolarHBondContact SG-N 3.39Å; C18-N20 VanDerWaalsContact C-N 3.33Å; C18-N20 PolarHBondContact O-N 3.02Å; C18-N21 CarbonylContact O-C 3.57Å; C18-N21 PolarHBondContact O-N 3.37Å; C18-N21 VanDerWaalsContact O-N 3.12Å; C18-G22 PolarHBondContact O-N 3.14Å; C18-A23 HydrophobicContact CB-CB 3.83Å; C18-A23 WeakPolarHBondContact O-CB 3.18Å; C18-A23 PolarHBondContact O-N 2.7Å; C18-F28 HydrophobicContact CB-CB 3.73Å; C18-H31 PolarHBondContact SG-NE2 3.39Å; C18-H31 VanDerWaalsContact SG-NE2 3.37Å; C18-C42 PolarHBondContact SG-SG 3.16Å |
| 19 | R | 94.8 | Very high | 86.3 | Confident | 153 Ų | 153 | 90.4 Ų | 90.4 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.6 | -44.7 | 175.7 | -176.8 | 178.6 | 176.7 | -173.7 | 2.1 | 112.1 | C15 F17 N21 G22 F28 | C15-R19 WeakPolarHBondContact O-CB 3.49Å; C15-R19 PolarHBondContact O-N 2.73Å; F17-R19 VanDerWaalsContact C-N 3.35Å; F17-R19 PolarHBondContact O-N 3.26Å; R19-N21 VanDerWaalsContact C-N 3.26Å; R19-N21 PolarHBondContact O-N 3.45Å; R19-G22 PolarHBondContact O-N 2.83Å; R19-G22 VanDerWaalsContact O-N 3.09Å; R19-F28 HydrophobicContact CB-CB 4.08Å; R19-F28 HydrophobicContact CB-CD1 4.04Å; R19-F28 HydrophobicContact CB-CD2 4.3Å; R19-F28 HydrophobicContact CB-CG 3.9Å; R19-F28 HydrophobicContact CG-CD1 4.3Å; R19-F28 HydrophobicContact CG-CE1 4.34Å; R19-F28 HydrophobicContact CG-CG 4.45Å |
| 20 | N | 94.2 | Very high | 88.1 | Confident | 137 Ų | 137 | 84.7 Ų | 84.7 | 73% | 0.733 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.5 | -25.7 | 179.4 | -169.3 | 82.1 | 0 | 0 | 0 | 112.9 | V16 F17 C18 G22 | V16-N20 VanDerWaalsContact O-CB 3.26Å; V16-N20 WeakPolarHBondContact O-CB 3.31Å; V16-N20 PolarHBondContact O-N 3.39Å; F17-N20 PolarHBondContact O-N 3.48Å; C18-N20 VanDerWaalsContact C-N 3.33Å; C18-N20 PolarHBondContact O-N 3.02Å; N20-G22 PolarHBondContact O-N 2.84Å |
| 21 | N | 93.8 | Very high | 89.8 | Confident | 108 Ų | 108 | 78.8 Ų | 78.8 | 58% | 0.578 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 8.1 | 173.4 | -73.7 | -80.9 | 0 | 0 | 0 | 113 | F17 C18 R19 A23 | F17-N21 PolarHBondContact O-N 3.4Å; F17-N21 VanDerWaalsContact O-N 3.11Å; F17-N21 PolarHBondContact O-ND2 3.42Å; C18-N21 CarbonylContact O-C 3.57Å; C18-N21 PolarHBondContact O-N 3.37Å; C18-N21 VanDerWaalsContact O-N 3.12Å; R19-N21 VanDerWaalsContact C-N 3.26Å; R19-N21 PolarHBondContact O-N 3.45Å; N21-A23 VanDerWaalsContact C-N 3.3Å; N21-A23 PolarHBondContact O-N 3.04Å |
| 22 | G | 94.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 68% | 0.68 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 21.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | C18 R19 N20 | C18-G22 PolarHBondContact O-N 3.14Å; R19-G22 PolarHBondContact O-N 2.83Å; R19-G22 VanDerWaalsContact O-N 3.09Å; N20-G22 PolarHBondContact O-N 2.84Å |
| 23 | A | 94.1 | Very high | 92.8 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | trans | -60.7 | 151.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | C18 N21 V27 F28 | C18-A23 HydrophobicContact CB-CB 3.83Å; C18-A23 WeakPolarHBondContact O-CB 3.18Å; C18-A23 PolarHBondContact O-N 2.7Å; N21-A23 VanDerWaalsContact C-N 3.3Å; N21-A23 PolarHBondContact O-N 3.04Å; A23-V27 HydrophobicContact CB-CB 4.15Å; A23-V27 HydrophobicContact CB-CG1 3.98Å; A23-F28 WeakPolarHBondContact O-CD1 3.2Å | ||
| 24 | P | 93.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 71.3 Ų | 71.3 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | trans | -66.7 | 160 | 174.6 | 28.5 | -34.5 | 0 | 0 | 0 | 111.2 | E26 V27 F28 | P24-E26 PolarHBondContact O-N 3.37Å; P24-V27 HydrophobicContact CG-CB 4.08Å; P24-V27 HydrophobicContact CG-CG2 3.68Å; P24-V27 WeakPolarHBondContact O-CA 3.24Å; P24-V27 PolarHBondContact O-N 3.24Å; P24-F28 WeakPolarHBondContact O-CD1 3.33Å; P24-F28 PolarHBondContact O-N 2.99Å | ||
| 25 | E | 91.8 | Very high | 93.3 | Very high | 149 Ų | 149 | 70.5 Ų | 70.5 | 70% | 0.696 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.4 | -35.1 | -179 | -175.7 | 166.9 | 98.6 | 0 | 0 | 113.1 | V27 F28 G29 | E25-V27 PolarHBondContact O-N 3.48Å; E25-F28 VanDerWaalsContact CA-CZ 3.41Å; E25-F28 HydrophobicContact CB-CE1 3.84Å; E25-F28 HydrophobicContact CB-CE2 4.14Å; E25-F28 HydrophobicContact CB-CZ 3.54Å; E25-F28 HydrophobicContact CG-CE1 4.4Å; E25-F28 HydrophobicContact CG-CE2 3.8Å; E25-F28 HydrophobicContact CG-CZ 3.64Å; E25-G29 VanDerWaalsContact O-CA 3.31Å; E25-G29 WeakPolarHBondContact O-CA 3.45Å; E25-G29 PolarHBondContact O-N 3.01Å |
| 26 | E | 91.1 | Very high | 93 | Very high | 172 Ų | 172 | 75.8 Ų | 75.8 | 80% | 0.804 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.4 | -35.4 | 173.8 | -59.5 | 176.8 | 89.5 | 0 | 0 | 111.9 | P24 S30 | P24-E26 PolarHBondContact O-N 3.37Å; E26-S30 WeakPolarHBondContact O-CB 3.37Å |
| 27 | V | 92.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 77.9 Ų | 77.9 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -84 | -52.9 | -179.8 | 174 | 0 | 0 | 0 | 0 | 110.9 | A23 P24 E25 G29 S30 H31 | A23-V27 HydrophobicContact CB-CB 4.15Å; A23-V27 HydrophobicContact CB-CG1 3.98Å; P24-V27 HydrophobicContact CG-CB 4.08Å; P24-V27 HydrophobicContact CG-CG2 3.68Å; P24-V27 WeakPolarHBondContact O-CA 3.24Å; P24-V27 PolarHBondContact O-N 3.24Å; E25-V27 PolarHBondContact O-N 3.48Å; V27-G29 VanDerWaalsContact C-N 3.3Å; V27-G29 PolarHBondContact O-N 3.31Å; V27-S30 PolarHBondContact O-N 2.75Å; V27-S30 PolarHBondContact O-OG 3.44Å; V27-H31 PolarHBondContact O-CE1 3.26Å; V27-H31 PolarHBondContact O-ND1 3.47Å |
| 28 | F | 93.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 77.7 Ų | 77.7 | 11% | 0.11 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -73.6 | -21.6 | -177.3 | 70.7 | -112.5 | 0 | 0 | 0 | 113.3 | I14 C15 C18 R19 A23 P24 E25 | I14-F28 CarbonylContact C-O 3.53Å; I14-F28 WeakPolarHBondContact CA-O 3.41Å; I14-F28 HydrophobicContact CB-CD2 4.07Å; I14-F28 HydrophobicContact CG2-CD2 4.2Å; I14-F28 HydrophobicContact CG2-CE2 4.39Å; C15-F28 HydrophobicContact CB-CB 4.49Å; C15-F28 PolarHBondContact N-O 3.22Å; C18-F28 HydrophobicContact CB-CB 3.73Å; R19-F28 HydrophobicContact CB-CB 4.08Å; R19-F28 HydrophobicContact CB-CD1 4.04Å; R19-F28 HydrophobicContact CB-CD2 4.3Å; R19-F28 HydrophobicContact CB-CG 3.9Å; R19-F28 HydrophobicContact CG-CD1 4.3Å; R19-F28 HydrophobicContact CG-CE1 4.34Å; R19-F28 HydrophobicContact CG-CG 4.45Å; A23-F28 WeakPolarHBondContact O-CD1 3.2Å; P24-F28 WeakPolarHBondContact O-CD1 3.33Å; P24-F28 PolarHBondContact O-N 2.99Å; E25-F28 VanDerWaalsContact CA-CZ 3.41Å; E25-F28 HydrophobicContact CB-CE1 3.84Å; E25-F28 HydrophobicContact CB-CE2 4.14Å; E25-F28 HydrophobicContact CB-CZ 3.54Å; E25-F28 HydrophobicContact CG-CE1 4.4Å; E25-F28 HydrophobicContact CG-CE2 3.8Å; E25-F28 HydrophobicContact CG-CZ 3.64Å |
| 29 | G | 92.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 84.2 Ų | 84.2 | 37% | 0.371 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -14.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E25 V27 H31 | E25-G29 VanDerWaalsContact O-CA 3.31Å; E25-G29 WeakPolarHBondContact O-CA 3.45Å; E25-G29 PolarHBondContact O-N 3.01Å; V27-G29 VanDerWaalsContact C-N 3.3Å; V27-G29 PolarHBondContact O-N 3.31Å; G29-H31 VanDerWaalsContact C-N 3.32Å; G29-H31 PolarHBondContact O-N 3.39Å |
| 30 | S | 92 | Very high | 92.4 | Very high | 86 Ų | 86 | 77 Ų | 77 | 60% | 0.601 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -74.5 | -17.1 | 179.9 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | E26 V27 | E26-S30 WeakPolarHBondContact O-CB 3.37Å; V27-S30 PolarHBondContact O-N 2.75Å; V27-S30 PolarHBondContact O-OG 3.44Å |
| 31 | H | 93 | Very high | 92.4 | Very high | 25 Ų | 25 | 73 Ų | 73 | 12% | 0.116 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -156.5 | 170.7 | -174.7 | 61.9 | -82.5 | 0 | 0 | 0 | 112 | I14 C15 C18 V27 G29 C42 | I14-H31 CarbonylContact C-O 3.31Å; I14-H31 VanDerWaalsContact C-O 3.31Å; C15-H31 WeakPolarHBondContact CB-CD2 3.41Å; C15-H31 WeakPolarHBondContact CB-NE2 3.37Å; C15-H31 WeakPolarHBondContact CB-O 3.4Å; C15-H31 PolarHBondContact N-O 3.09Å; C15-H31 PolarHBondContact SG-NE2 3.12Å; C18-H31 PolarHBondContact SG-NE2 3.39Å; C18-H31 VanDerWaalsContact SG-NE2 3.37Å; V27-H31 PolarHBondContact O-CE1 3.26Å; V27-H31 PolarHBondContact O-ND1 3.47Å; G29-H31 VanDerWaalsContact C-N 3.32Å; G29-H31 PolarHBondContact O-N 3.39Å; H31-C42 PolarHBondContact NE2-SG 3.25Å; H31-C42 VanDerWaalsContact NE2-SG 3.39Å |
| 32 | V | 94.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 67.9 Ų | 67.9 | 27% | 0.267 | 40% | 0.396 | S | S | . | . | trans | -105.4 | 160.1 | 174.3 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | P12 V41 C42 | P12-V32 WeakPolarHBondContact O-CG1 3.09Å; V32-V41 HydrophobicContact CG2-CB 4.31Å; V32-V41 HydrophobicContact CG2-CG2 4.33Å; V32-C42 PolarHBondContact O-N 3.35Å | ||
| 33 | L | 93.5 | Very high | 92.5 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -69.5 | -50.8 | 179 | 177.1 | 53.7 | 0 | 0 | 0 | 111.8 | F17 V41 C42 L45 | F17-L33 HydrophobicContact CB-CD1 3.52Å; F17-L33 HydrophobicContact CB-CD2 4.18Å; F17-L33 HydrophobicContact CB-CG 4.37Å; F17-L33 HydrophobicContact CG-CD1 4.33Å; L33-V41 PolarHBondContact O-N 2.95Å; L33-C42 HydrophobicContact CD1-CB 3.95Å; L33-C42 PolarHBondContact O-N 3.46Å; L33-L45 HydrophobicContact CD1-CD2 3.71Å |
| 34 | K | 92.6 | Very high | 92.5 | Very high | 116 Ų | 116 | 71.6 Ų | 71.6 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -137.3 | 146.7 | -179.4 | -71.9 | 176.4 | -176.4 | -140.9 | 0 | 110.1 | R39 V40 | K34-R39 CarbonylContact C-O 3.48Å; K34-R39 WeakPolarHBondContact CA-O 3.33Å; K34-V40 HydrophobicContact CD-CG2 4.49Å; K34-V40 HydrophobicContact CG-CG2 4.03Å |
| 35 | T | 90.1 | Very high | 92.6 | Very high | 35 Ų | 35 | 68.6 Ų | 68.6 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | trans | -71.5 | 162.4 | 167.8 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | D37 G38 R39 V41 | T35-D37 PolarHBondContact O-N 3.48Å; T35-D37 PolarHBondContact OG1-N 2.68Å; T35-D37 PolarHBondContact OG1-OD2 3.41Å; T35-G38 PolarHBondContact O-N 3.39Å; T35-R39 PolarHBondContact N-O 3.38Å; T35-R39 PolarHBondContact OG1-N 3.34Å; T35-V41 HydrophobicContact CG2-CG2 3.27Å | ||
| 36 | P | 88.3 | Confident | 92.9 | Very high | 110 Ų | 110 | 65.4 Ų | 65.4 | 71% | 0.714 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.1 | 168.2 | 21 | -34.2 | 0 | 0 | 0 | 113.4 | G38 | P36-G38 PolarHBondContact O-N 3.21Š|
| 37 | D | 88.4 | Confident | 93 | Very high | 124 Ų | 124 | 61 Ų | 61 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -3.5 | 173.4 | -44.1 | -75.7 | 0 | 0 | 0 | 113.9 | T35 | T35-D37 PolarHBondContact O-N 3.48Å; T35-D37 PolarHBondContact OG1-N 2.68Å; T35-D37 PolarHBondContact OG1-OD2 3.41Å |
| 38 | G | 87.6 | Confident | 93.1 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 87.5 | 0.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T35 P36 | T35-G38 PolarHBondContact O-N 3.39Å; P36-G38 PolarHBondContact O-N 3.21Å |
| 39 | R | 93 | Very high | 93.2 | Very high | 137 Ų | 137 | 64.4 Ų | 64.4 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | trans | -78 | 137.4 | 178.2 | -67.5 | -171.2 | -73.7 | 169.9 | -4.9 | 111.7 | K34 T35 V41 D58 | K34-R39 CarbonylContact C-O 3.48Å; K34-R39 WeakPolarHBondContact CA-O 3.33Å; T35-R39 PolarHBondContact N-O 3.38Å; T35-R39 PolarHBondContact OG1-N 3.34Å; R39-V41 PolarHBondContact O-N 3.31Å; R39-D58 HydrophobicContact CB-CB 4.45Å; R39-D58 HydrophobicContact CG-CB 4.32Å | ||
| 40 | V | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 124.4 | 176 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | K34 C42 L45 R46 D58 A60 | K34-V40 HydrophobicContact CD-CG2 4.49Å; K34-V40 HydrophobicContact CG-CG2 4.03Å; V40-C42 HydrophobicContact CG1-CB 4.46Å; V40-L45 HydrophobicContact CG1-CB 3.99Å; V40-L45 HydrophobicContact CG1-CD2 3.81Å; V40-L45 HydrophobicContact CG1-CG 3.98Å; V40-L45 HydrophobicContact CG2-CD2 4.46Å; V40-R46 HydrophobicContact CB-CG 4.41Å; V40-R46 HydrophobicContact CG1-CG 3.95Å; V40-R46 WeakPolarHBondContact O-CD 3.26Å; V40-R46 WeakPolarHBondContact O-CG 3.2Å; V40-R46 PolarHBondContact O-NH1 2.72Å; V40-D58 WeakPolarHBondContact CG2-O 3.26Å; V40-D58 PolarHBondContact N-O 2.89Å; V40-D58 VanDerWaalsContact N-O 3.09Å; V40-A60 WeakPolarHBondContact CG2-O 3.49Å |
| 41 | V | 94.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 62.7 Ų | 62.7 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | trans | -102.9 | -30.1 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | V32 L33 T35 R39 P43 R46 | V32-V41 HydrophobicContact CG2-CB 4.31Å; V32-V41 HydrophobicContact CG2-CG2 4.33Å; L33-V41 PolarHBondContact O-N 2.95Å; T35-V41 HydrophobicContact CG2-CG2 3.27Å; R39-V41 PolarHBondContact O-N 3.31Å; V41-P43 WeakPolarHBondContact O-CD 3.24Å; V41-R46 WeakPolarHBondContact O-CD 3.4Å | ||
| 42 | C | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -52.5 | 115.3 | -178 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | C18 H31 V32 L33 V40 I44 L45 R46 | C18-C42 PolarHBondContact SG-SG 3.16Å; H31-C42 PolarHBondContact NE2-SG 3.25Å; H31-C42 VanDerWaalsContact NE2-SG 3.39Å; V32-C42 PolarHBondContact O-N 3.35Å; L33-C42 HydrophobicContact CD1-CB 3.95Å; L33-C42 PolarHBondContact O-N 3.46Å; V40-C42 HydrophobicContact CG1-CB 4.46Å; C42-I44 VanDerWaalsContact C-N 3.25Å; C42-I44 PolarHBondContact O-N 2.94Å; C42-L45 HydrophobicContact CB-CB 4.04Å; C42-L45 PolarHBondContact O-N 3.05Å; C42-L45 VanDerWaalsContact O-N 3.14Å; C42-R46 WeakPolarHBondContact O-CB 3.45Å; C42-R46 VanDerWaalsContact O-CG 3.24Å; C42-R46 WeakPolarHBondContact O-CG 3.46Å; C42-R46 PolarHBondContact O-N 3.09Å | ||
| 43 | P | 94.9 | Very high | 93.3 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | -174.5 | 24 | -33.4 | 0 | 0 | 0 | 112 | V41 R46 A47 | V41-P43 WeakPolarHBondContact O-CD 3.24Å; P43-R46 PolarHBondContact O-N 3.46Å; P43-A47 WeakPolarHBondContact O-CB 3.16Å; P43-A47 PolarHBondContact O-N 3.17Å |
| 44 | I | 94.8 | Very high | 93.3 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 176.7 | -54 | -171.7 | 0 | 0 | 0 | 110.5 | F17 C42 Y48 | F17-I44 HydrophobicContact CE1-CB 4.33Å; F17-I44 HydrophobicContact CE1-CG2 3.97Å; C42-I44 VanDerWaalsContact C-N 3.25Å; C42-I44 PolarHBondContact O-N 2.94Å; I44-Y48 PolarHBondContact O-N 2.87Å |
| 45 | L | 95.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.2 | -38 | 179.1 | -171.9 | 60 | 0 | 0 | 0 | 111.2 | F17 L33 V40 C42 A47 Y48 A60 T62 | F17-L45 HydrophobicContact CD1-CB 4.26Å; F17-L45 HydrophobicContact CE1-CB 4.24Å; F17-L45 HydrophobicContact CE2-CD1 4.2Å; F17-L45 HydrophobicContact CZ-CD1 4.14Å; L33-L45 HydrophobicContact CD1-CD2 3.71Å; V40-L45 HydrophobicContact CG1-CB 3.99Å; V40-L45 HydrophobicContact CG1-CD2 3.81Å; V40-L45 HydrophobicContact CG1-CG 3.98Å; V40-L45 HydrophobicContact CG2-CD2 4.46Å; C42-L45 HydrophobicContact CB-CB 4.04Å; C42-L45 PolarHBondContact O-N 3.05Å; C42-L45 VanDerWaalsContact O-N 3.14Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 2.73Å; L45-Y48 VanDerWaalsContact O-CB 3.29Å; L45-Y48 WeakPolarHBondContact O-CB 3.29Å; L45-Y48 PolarHBondContact O-N 3.02Å; L45-A60 HydrophobicContact CG-CB 4.22Å; L45-A60 WeakPolarHBondContact O-CB 3.36Å; L45-T62 HydrophobicContact CD1-CG2 4.05Å |
| 46 | R | 96.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 64.4 Ų | 64.4 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -39 | 176.9 | -72.7 | 178.4 | 70.1 | 81.1 | 1.5 | 112.8 | V40 V41 C42 P43 Y48 G57 D58 | V40-R46 HydrophobicContact CB-CG 4.41Å; V40-R46 HydrophobicContact CG1-CG 3.95Å; V40-R46 WeakPolarHBondContact O-CD 3.26Å; V40-R46 WeakPolarHBondContact O-CG 3.2Å; V40-R46 PolarHBondContact O-NH1 2.72Å; V41-R46 WeakPolarHBondContact O-CD 3.4Å; C42-R46 WeakPolarHBondContact O-CB 3.45Å; C42-R46 VanDerWaalsContact O-CG 3.24Å; C42-R46 WeakPolarHBondContact O-CG 3.46Å; C42-R46 PolarHBondContact O-N 3.09Å; P43-R46 PolarHBondContact O-N 3.46Å; R46-Y48 PolarHBondContact O-N 2.91Å; R46-G57 PolarHBondContact O-N 3.09Å; R46-D58 IonicContact CZ-OD1 3.59Å; R46-D58 IonicContact NH1-OD1 2.68Å; R46-D58 PolarHBondContact NH1-OD1 3.2Å; R46-D58 IonicContact NH2-OD1 3.57Å; R46-D58 IonicContact NH2-OD2 3.92Å |
| 47 | A | 94.8 | Very high | 94 | Very high | 80 Ų | 80 | 59.7 Ų | 59.7 | 66% | 0.661 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -71.8 | -19.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P43 L45 T49 | P43-A47 WeakPolarHBondContact O-CB 3.16Å; P43-A47 PolarHBondContact O-N 3.17Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 2.73Å; A47-T49 PolarHBondContact O-N 2.79Å |
| 48 | Y | 94.8 | Very high | 94.3 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 117.5 | 177 | -177.1 | -101.7 | 0 | 0 | 0 | 110.8 | I44 L45 R46 P51 H61 I63 | I44-Y48 PolarHBondContact O-N 2.87Å; L45-Y48 VanDerWaalsContact O-CB 3.29Å; L45-Y48 WeakPolarHBondContact O-CB 3.29Å; L45-Y48 PolarHBondContact O-N 3.02Å; R46-Y48 PolarHBondContact O-N 2.91Å; Y48-P51 VanDerWaalsContact OH-CD 3.28Å; Y48-P51 WeakPolarHBondContact OH-CD 3.26Å; Y48-H61 VanDerWaalsContact CD1-O 3.29Å; Y48-H61 WeakPolarHBondContact CD1-O 3.29Å; Y48-H61 VanDerWaalsContact CE1-O 3.26Å; Y48-H61 WeakPolarHBondContact CE1-O 3.27Å; Y48-I63 VanDerWaalsContact OH-CG1 3.27Å; Y48-I63 WeakPolarHBondContact OH-CG1 3.05Å |
| 49 | T | 95.1 | Very high | 94.5 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 121.5 | 172.1 | -59.3 | 0 | 0 | 0 | 0 | 109 | A47 P51 | A47-T49 PolarHBondContact O-N 2.79Å; T49-P51 WeakPolarHBondContact O-CD 3.1Å |
| 50 | C | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 123.1 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | L52 C53 S54 A55 C66 | C50-L52 PolarHBondContact O-N 3.2Å; C50-C53 VanDerWaalsContact SG-SG 3.68Å; C50-S54 WeakPolarHBondContact O-CA 3.5Å; C50-S54 PolarHBondContact O-N 3.11Å; C50-A55 PolarHBondContact N-O 2.92Å; C50-C66 VanDerWaalsContact SG-SG 3.61Å |
| 51 | P | 93.1 | Very high | 94.6 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -11.2 | -178.3 | 29.1 | -36.2 | 0 | 0 | 0 | 113.7 | Y48 T49 I63 | Y48-P51 VanDerWaalsContact OH-CD 3.28Å; Y48-P51 WeakPolarHBondContact OH-CD 3.26Å; T49-P51 WeakPolarHBondContact O-CD 3.1Å; P51-I63 HydrophobicContact CG-CD1 3.79Å; P51-I63 HydrophobicContact CG-CG1 3.83Å |
| 52 | L | 92.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -43.1 | -179.5 | -61.1 | -177.2 | 0 | 0 | 0 | 112.6 | C50 I63 C66 | C50-L52 PolarHBondContact O-N 3.2Å; L52-I63 HydrophobicContact CD1-CG2 3.74Å; L52-I63 HydrophobicContact CG-CG2 4.31Å; L52-C66 HydrophobicContact CD1-CB 4.12Å |
| 53 | C | 93.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -0.6 | -175.7 | 68.9 | 0 | 0 | 0 | 0 | 114 | C50 A55 H61 L68 | C50-C53 VanDerWaalsContact SG-SG 3.68Å; C53-A55 PolarHBondContact O-N 3.29Å; C53-A55 VanDerWaalsContact O-N 3.09Å; C53-A55 WeakPolarHBondContact SG-CB 3.44Å; C53-H61 PolarHBondContact SG-CE1 3.28Å; C53-H61 PolarHBondContact SG-NE2 2.78Å; C53-L68 HydrophobicContact CB-CD1 3.49Å; C53-L68 VanDerWaalsContact CB-CD1 3.49Å; C53-L68 HydrophobicContact CB-CG 3.99Å |
| 54 | S | 94.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 62.4 Ų | 62.4 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | trans | 58.8 | 15 | -176.4 | -54.2 | 0 | 0 | 0 | 0 | 115.5 | C50 | C50-S54 WeakPolarHBondContact O-CA 3.5Å; C50-S54 PolarHBondContact O-N 3.11Å | ||
| 55 | A | 94.7 | Very high | 93.9 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | trans | -69.9 | 138.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C50 C53 | C50-A55 PolarHBondContact N-O 2.92Å; C53-A55 PolarHBondContact O-N 3.29Å; C53-A55 VanDerWaalsContact O-N 3.09Å; C53-A55 WeakPolarHBondContact SG-CB 3.44Å | ||
| 56 | N | 95 | Very high | 93.7 | Very high | 91 Ų | 91 | 65.6 Ų | 65.6 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | trans | -143.7 | -175.8 | 174.8 | 75.6 | 30.8 | 0 | 0 | 0 | 110.8 | D58 N59 | N56-D58 PolarHBondContact O-N 3.23Å; N56-N59 PolarHBondContact O-N 2.91Å | ||
| 57 | G | 95.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | 63.6 | -126.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R46 N59 A60 | R46-G57 PolarHBondContact O-N 3.09Å; G57-N59 PolarHBondContact O-N 2.8Å; G57-A60 VanDerWaalsContact O-CB 3.26Å; G57-A60 WeakPolarHBondContact O-CB 3.28Å; G57-A60 PolarHBondContact O-N 2.91Å; G57-A60 VanDerWaalsContact O-N 3.16Å |
| 58 | D | 94.6 | Very high | 93.1 | Very high | 63 Ų | 63 | 66.9 Ų | 66.9 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -62.4 | -28.6 | -177.2 | -62.8 | -60.1 | 0 | 0 | 0 | 113.4 | R39 V40 R46 N56 | R39-D58 HydrophobicContact CB-CB 4.45Å; R39-D58 HydrophobicContact CG-CB 4.32Å; V40-D58 WeakPolarHBondContact CG2-O 3.26Å; V40-D58 PolarHBondContact N-O 2.89Å; V40-D58 VanDerWaalsContact N-O 3.09Å; R46-D58 IonicContact CZ-OD1 3.59Å; R46-D58 IonicContact NH1-OD1 2.68Å; R46-D58 PolarHBondContact NH1-OD1 3.2Å; R46-D58 IonicContact NH2-OD1 3.57Å; R46-D58 IonicContact NH2-OD2 3.92Å; N56-D58 PolarHBondContact O-N 3.23Å |
| 59 | N | 93.1 | Very high | 92.5 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 66% | 0.663 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -102.1 | 11.2 | -178.9 | -62.9 | -63.8 | 0 | 0 | 0 | 112.9 | N56 G57 H61 | N56-N59 PolarHBondContact O-N 2.91Å; G57-N59 PolarHBondContact O-N 2.8Å; N59-H61 PolarHBondContact O-ND1 3.36Å |
| 60 | A | 95.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 71.1 Ų | 71.1 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | trans | -61.7 | 144 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V40 L45 G57 | V40-A60 WeakPolarHBondContact CG2-O 3.49Å; L45-A60 HydrophobicContact CG-CB 4.22Å; L45-A60 WeakPolarHBondContact O-CB 3.36Å; G57-A60 VanDerWaalsContact O-CB 3.26Å; G57-A60 WeakPolarHBondContact O-CB 3.28Å; G57-A60 PolarHBondContact O-N 2.91Å; G57-A60 VanDerWaalsContact O-N 3.16Å | ||
| 61 | H | 93.6 | Very high | 89.5 | Confident | 28 Ų | 28 | 78 Ų | 78 | 13% | 0.13 | 42% | 0.416 | C | S | . | . | trans | -158.2 | 156.8 | 178.4 | 52.7 | -91.2 | 0 | 0 | 0 | 109.6 | Y48 C53 N59 C66 | Y48-H61 VanDerWaalsContact CD1-O 3.29Å; Y48-H61 WeakPolarHBondContact CD1-O 3.29Å; Y48-H61 VanDerWaalsContact CE1-O 3.26Å; Y48-H61 WeakPolarHBondContact CE1-O 3.27Å; C53-H61 PolarHBondContact SG-CE1 3.28Å; C53-H61 PolarHBondContact SG-NE2 2.78Å; N59-H61 PolarHBondContact O-ND1 3.36Å; H61-C66 WeakPolarHBondContact CD2-CA 3.19Å; H61-C66 VanDerWaalsContact NE2-CA 3.34Å; H61-C66 WeakPolarHBondContact NE2-CA 3.34Å; H61-C66 WeakPolarHBondContact NE2-CB 3.35Å; H61-C66 PolarHBondContact NE2-SG 2.93Å; H61-C66 VanDerWaalsContact NE2-SG 3.39Å | ||
| 62 | T | 93.1 | Very high | 87.6 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 25% | 0.252 | 41% | 0.409 | S | S | . | . | trans | -76 | 159.8 | 171.3 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | F17 L45 K64 Y65 C66 | F17-T62 HydrophobicContact CE2-CG2 3.83Å; F17-T62 HydrophobicContact CZ-CG2 4.41Å; L45-T62 HydrophobicContact CD1-CG2 4.05Å; T62-K64 PolarHBondContact O-N 3.35Å; T62-K64 VanDerWaalsContact O-N 3.1Å; T62-Y65 PolarHBondContact O-N 3.39Å; T62-Y65 VanDerWaalsContact OG1-CD2 3.28Å; T62-Y65 WeakPolarHBondContact OG1-CD2 3.28Å; T62-C66 PolarHBondContact O-N 3.1Å | ||
| 63 | I | 91.9 | Very high | 85.6 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 40% | 0.395 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -47 | -44.3 | -179.3 | -59.2 | 171.6 | 0 | 0 | 0 | 111.8 | Y48 P51 L52 Y65 C66 S69 | Y48-I63 VanDerWaalsContact OH-CG1 3.27Å; Y48-I63 WeakPolarHBondContact OH-CG1 3.05Å; P51-I63 HydrophobicContact CG-CD1 3.79Å; P51-I63 HydrophobicContact CG-CG1 3.83Å; L52-I63 HydrophobicContact CD1-CG2 3.74Å; L52-I63 HydrophobicContact CG-CG2 4.31Å; I63-Y65 PolarHBondContact O-N 2.99Å; I63-Y65 VanDerWaalsContact O-N 3.15Å; I63-C66 WeakPolarHBondContact O-CB 3.37Å; I63-C66 PolarHBondContact O-N 3.15Å; I63-S69 WeakPolarHBondContact O-CB 3.43Å |
| 64 | K | 89.6 | Confident | 83.6 | Confident | 160 Ų | 160 | 83.4 Ų | 83.4 | 70% | 0.696 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -55.9 | -32.8 | -179.4 | -177.3 | 177.6 | 179.7 | -179.6 | 0 | 113.8 | T62 | T62-K64 PolarHBondContact O-N 3.35Å; T62-K64 VanDerWaalsContact O-N 3.1Å |
| 65 | Y | 90.4 | Very high | 81.8 | Confident | 165 Ų | 165 | 85 Ų | 85 | 65% | 0.647 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -103.1 | 11 | -178.4 | -58.5 | -70.2 | 0 | 0 | 0 | 112.4 | T62 I63 | T62-Y65 PolarHBondContact O-N 3.39Å; T62-Y65 VanDerWaalsContact OG1-CD2 3.28Å; T62-Y65 WeakPolarHBondContact OG1-CD2 3.28Å; I63-Y65 PolarHBondContact O-N 2.99Å; I63-Y65 VanDerWaalsContact O-N 3.15Å |
| 66 | C | 92.6 | Very high | 79.9 | Confident | 5 Ų | 5 | 94.2 Ų | 94.2 | 3% | 0.034 | 48% | 0.477 | C | S | . | . | trans | -69.9 | 131.2 | 177.3 | -174 | 0 | 0 | 0 | 0 | 110.4 | C50 L52 H61 T62 I63 L68 S69 | C50-C66 VanDerWaalsContact SG-SG 3.61Å; L52-C66 HydrophobicContact CD1-CB 4.12Å; H61-C66 WeakPolarHBondContact CD2-CA 3.19Å; H61-C66 VanDerWaalsContact NE2-CA 3.34Å; H61-C66 WeakPolarHBondContact NE2-CA 3.34Å; H61-C66 WeakPolarHBondContact NE2-CB 3.35Å; H61-C66 PolarHBondContact NE2-SG 2.93Å; H61-C66 VanDerWaalsContact NE2-SG 3.39Å; T62-C66 PolarHBondContact O-N 3.1Å; I63-C66 WeakPolarHBondContact O-CB 3.37Å; I63-C66 PolarHBondContact O-N 3.15Å; C66-L68 PolarHBondContact O-N 3.08Å; C66-S69 VanDerWaalsContact O-CB 3.31Å; C66-S69 WeakPolarHBondContact O-CB 3.31Å; C66-S69 PolarHBondContact O-N 3.34Å | ||
| 67 | P | 90.6 | Very high | 77.8 | Confident | 96 Ų | 96 | 95.7 Ų | 95.7 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -60.5 | -30.4 | 176.6 | 24.3 | -33.7 | 0 | 0 | 0 | 112 | S69 | P67-S69 VanDerWaalsContact C-N 3.33Š|
| 68 | L | 87.4 | Confident | 76.1 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -80 | -11.4 | 176.1 | -55.5 | -174.6 | 0 | 0 | 0 | 113.3 | C53 C66 K70 D71 | C53-L68 HydrophobicContact CB-CD1 3.49Å; C53-L68 VanDerWaalsContact CB-CD1 3.49Å; C53-L68 HydrophobicContact CB-CG 3.99Å; C66-L68 PolarHBondContact O-N 3.08Å; L68-K70 PolarHBondContact O-N 2.76Å; L68-D71 PolarHBondContact O-N 2.87Å |
| 69 | S | 81.8 | Confident | 74.2 | Confident | 36 Ų | 36 | 109 Ų | 109 | 25% | 0.252 | 55% | 0.55 | S | S | . | * | G | 310 helix | trans | -71.1 | -18.6 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 113.1 | I63 C66 P67 D71 Q72 | I63-S69 WeakPolarHBondContact O-CB 3.43Å; C66-S69 VanDerWaalsContact O-CB 3.31Å; C66-S69 WeakPolarHBondContact O-CB 3.31Å; C66-S69 PolarHBondContact O-N 3.34Å; P67-S69 VanDerWaalsContact C-N 3.33Å; S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 PolarHBondContact O-N 2.96Å; S69-Q72 PolarHBondContact O-N 3.35Å |
| 70 | K | 65.6 | Low | 72 | Confident | 202 Ų | 202 | 106.3 Ų | 106.3 | 88% | 0.878 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -72.2 | -21.7 | 176.5 | -70.9 | -173.9 | 178.5 | -170.3 | 0 | 113.1 | L68 | L68-K70 PolarHBondContact O-N 2.76Š|
| 71 | D | 60.7 | Low | 69.8 | Low | 146 Ų | 146 | 110 Ų | 110 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -14.8 | 177.5 | -157 | -110.1 | 0 | 0 | 0 | 112.2 | L68 S69 P73 | L68-D71 PolarHBondContact O-N 2.87Å; S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 PolarHBondContact O-N 2.96Å; D71-P73 WeakPolarHBondContact O-CD 3.46Å |
| 72 | Q | 54.3 | Low | 67.9 | Low | 89 Ų | 89 | 120.8 Ų | 120.8 | 42% | 0.416 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -90.5 | 117.2 | 177.2 | -77 | -74.8 | 5.1 | 0 | 0 | 110.2 | S69 S74 | S69-Q72 PolarHBondContact O-N 3.35Å; Q72-S74 PolarHBondContact O-N 3.24Å; Q72-S74 VanDerWaalsContact O-N 3.08Å |
| 73 | P | 49.2 | Very low | 65.9 | Low | 99 Ų | 99 | 123.8 Ų | 123.8 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | trans | -58.2 | 121.2 | 166.7 | 24.8 | -30.9 | 0 | 0 | 0 | 107 | D71 Q75 | D71-P73 WeakPolarHBondContact O-CD 3.46Å; P73-Q75 PolarHBondContact O-N 2.82Å | ||
| 74 | S | 53.1 | Low | 64.1 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -19.1 | 95.2 | 177.5 | -157 | 0 | 0 | 0 | 0 | 111.2 | Q72 R76 | Q72-S74 PolarHBondContact O-N 3.24Å; Q72-S74 VanDerWaalsContact O-N 3.08Å; S74-R76 PolarHBondContact O-N 3.42Å | ||
| 75 | Q | 55.6 | Low | 62.4 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 57% | 0.565 | 69% | 0.687 | S | S | * | * | trans | -66.3 | 91.1 | -178.8 | -70.1 | -72.8 | -48.7 | 0 | 0 | 105.9 | P73 | P73-Q75 PolarHBondContact O-N 2.82Š| ||
| 76 | R | 54.9 | Low | 60.6 | Low | 216 Ų | 216 | 119.1 Ų | 119.1 | 82% | 0.815 | 70% | 0.695 | S | S | * | * | trans | -47.3 | 135.9 | 160.4 | -71.6 | 178.5 | 143.8 | -158.7 | -5.6 | 105.7 | S74 L78 | S74-R76 PolarHBondContact O-N 3.42Å; R76-L78 PolarHBondContact O-N 2.7Å | ||
| 77 | P | 51.3 | Low | 58.8 | Low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -54.2 | 115.3 | 177 | 21.6 | -29.7 | 0 | 0 | 0 | 107.8 | K79 | P77-K79 PolarHBondContact O-N 3.5Š| ||
| 78 | L | 59.5 | Low | 57.1 | Low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -65.3 | 75.5 | 165.9 | -82.4 | 148.8 | 0 | 0 | 0 | 106.7 | R76 G80 | R76-L78 PolarHBondContact O-N 2.7Å; L78-G80 VanDerWaalsContact C-N 3.28Å; L78-G80 PolarHBondContact O-N 3.08Å; L78-G80 VanDerWaalsContact O-N 3.08Å | ||
| 79 | K | 53.4 | Low | 55.5 | Low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | -77.2 | 94.1 | 164 | -158 | 171.8 | 176.7 | -177.7 | 0 | 105.3 | P77 | P77-K79 PolarHBondContact O-N 3.5Š| ||
| 80 | G | 48.4 | Very low | 54 | Low | 66 Ų | 66 | 147 Ų | 147 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -58 | 157.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L78 | L78-G80 VanDerWaalsContact C-N 3.28Å; L78-G80 PolarHBondContact O-N 3.08Å; L78-G80 VanDerWaalsContact O-N 3.08Å | ||
| 81 | G | 49 | Very low | 53.2 | Low | 80 Ų | 80 | 143.4 Ų | 143.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 80.6 | 107.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 82 | R | 52.9 | Low | 53 | Low | 255 Ų | 255 | 149.3 Ų | 149.3 | 96% | 0.962 | 80% | 0.803 | S | S | * | * | trans | -57.5 | 135.4 | 162.2 | -70.5 | 163.8 | 154.1 | 163.4 | -8.3 | 111 | ||||
| 83 | A | 50.8 | Low | 52.9 | Low | 103 Ų | 103 | 152.4 Ų | 152.4 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -129.3 | 123.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 84 | V | 54.7 | Low | 53.1 | Low | 147 Ų | 147 | 155.2 Ų | 155.2 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -64.9 | 139.4 | 174.1 | 163.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 85 | G | 53.8 | Low | 53.1 | Low | 79 Ų | 79 | 157.5 Ų | 157.5 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | 78.1 | 97.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 86 | G | 52.6 | Low | 53 | Low | 78 Ų | 78 | 159.6 Ų | 159.6 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | -139.8 | 112.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 87 | K | 55.1 | Low | 52.9 | Low | 212 Ų | 212 | 156.1 Ų | 156.1 | 92% | 0.922 | 85% | 0.852 | S | S | * | * | trans | -56.1 | 145.4 | -175.9 | -78.4 | 158.6 | 168.5 | 177.7 | 0 | 113.1 | ||||
| 88 | R | 54.4 | Low | 53 | Low | 243 Ų | 243 | 158.4 Ų | 158.4 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | trans | -49.4 | 142.3 | 159.2 | -85.4 | -174.8 | 165.3 | 173.3 | -2.3 | 111.1 | ||||
| 89 | M | 53.3 | Low | 52.5 | Low | 163 Ų | 163 | 158.6 Ų | 158.6 | 80% | 0.803 | 86% | 0.86 | S | S | * | * | -163.8 | 129.2 | 121.7 | -149.7 | 63.5 | 159.3 | 0 | 0 | 111.1 | |||||
| 90 | K | 50.5 | Low | 52.4 | Low | 199 Ų | 199 | 155.5 Ų | 155.5 | 87% | 0.865 | 86% | 0.859 | S | S | * | * | trans | -83.9 | 131.6 | 159.7 | -64.9 | 174.4 | 172.3 | -178.2 | 0 | 106.7 | ||||
| 91 | I | 50.1 | Low | 52.8 | Low | 126 Ų | 126 | 163 Ų | 163 | 65% | 0.646 | 87% | 0.874 | S | S | * | * | trans | -163.3 | 135 | 151.3 | 38.5 | 169.9 | 0 | 0 | 0 | 109.8 | ||||
| 92 | F | 56.1 | Low | 53.1 | Low | 271 Ų | 271 | 170.5 Ų | 170.5 | 100% | 1.189 | 88% | 0.879 | S | S | * | * | trans | 79.4 | 0 | -178.8 | -42.9 | -69 | 0 | 0 | 0 | 116 |
Retrieved 92 of 92 residues in 14.6 ms
(Link to these results)