| 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 | 36.5 | Very low | 43.6 | Very low | 246 Ų | 246 | 133.5 Ų | 133.5 | 100% | 1.212 | 74% | 0.742 | S | S | * | * | 0 | 98.8 | 0 | -69.5 | 161.3 | 173.6 | 0 | 0 | 106.2 | |||||
| 2 | S | 42.8 | Very low | 43.7 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | trans | -76.2 | 131.1 | -174.9 | -157.1 | 0 | 0 | 0 | 0 | 109 | S4 | S2-S4 PolarHBondContact O-N 3.36Å; S2-S4 VanDerWaalsContact O-N 3.11Å; S2-S4 PolarHBondContact OG-OG 3.47Å | ||
| 3 | F | 40.1 | Very low | 44.5 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -74 | 5.3 | -178.7 | 172.5 | -89.3 | 0 | 0 | 0 | 112.5 | D5 R36 | F3-D5 VanDerWaalsContact C-N 3.33Å; F3-D5 PolarHBondContact O-N 2.93Å; F3-R36 VanDerWaalsContact CE1-CZ 3.42Å |
| 4 | S | 41.8 | Very low | 44.8 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -72.6 | -16.2 | -178.8 | -44.7 | 0 | 0 | 0 | 0 | 114.7 | S2 | S2-S4 PolarHBondContact O-N 3.36Å; S2-S4 VanDerWaalsContact O-N 3.11Å; S2-S4 PolarHBondContact OG-OG 3.47Å |
| 5 | D | 43 | Very low | 45.1 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -89.8 | -0.5 | -171.3 | -77 | -96.8 | 0 | 0 | 0 | 115.3 | F3 | F3-D5 VanDerWaalsContact C-N 3.33Å; F3-D5 PolarHBondContact O-N 2.93Å |
| 6 | V | 46.2 | Very low | 45.7 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -104 | 3.9 | -171.4 | 179.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 7 | L | 50.7 | Low | 46.3 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 58% | 0.576 | 66% | 0.661 | S | S | * | * | trans | -101.8 | 18 | 179.5 | -75.2 | 161.3 | 0 | 0 | 0 | 113.9 | A9 T32 | L7-A9 PolarHBondContact O-N 2.99Å; L7-T32 HydrophobicContact CD1-CG2 4.42Å | ||
| 8 | D | 51.3 | Low | 46.7 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 87% | 0.866 | 67% | 0.672 | S | S | * | * | trans | -85.8 | 77.9 | 167.7 | -155 | -87.2 | 0 | 0 | 0 | 110 | ||||
| 9 | A | 42.3 | Very low | 47.2 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | -146.9 | 78.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 | L7-A9 PolarHBondContact O-N 2.99Š| ||
| 10 | K | 41.8 | Very low | 47.8 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | trans | 74.5 | 122.1 | 147.7 | -145.4 | 179.3 | -173.4 | 80 | 0 | 116.8 | K12 | K10-K12 PolarHBondContact O-N 3.02Š| ||
| 11 | P | 43 | Very low | 48.2 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 66% | 0.662 | 65% | 0.648 | S | S | * | * | trans | -70.4 | 102.4 | 178.8 | 29.3 | -34 | 0 | 0 | 0 | 110.2 | E13 | P11-E13 HydrophobicContact CB-CG 4.09Å; P11-E13 WeakPolarHBondContact CB-OE2 3.42Å | ||
| 12 | K | 44.7 | Very low | 48.9 | Very low | 156 Ų | 156 | 111.3 Ų | 111.3 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | trans | -112.4 | 54.1 | 166.5 | -157 | 164.3 | -177.8 | 170.6 | 0 | 108.5 | K10 L16 | K10-K12 PolarHBondContact O-N 3.02Å; K12-L16 WeakPolarHBondContact O-CD1 3.45Å | ||
| 13 | E | 53.9 | Low | 49.6 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 51% | 0.505 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.9 | 24 | -152.6 | -76.1 | -168.9 | 85.9 | 0 | 0 | 118.8 | P11 Y17 | P11-E13 HydrophobicContact CB-CG 4.09Å; P11-E13 WeakPolarHBondContact CB-OE2 3.42Å; E13-Y17 HydrophobicContact CB-CE2 4.05Å; E13-Y17 HydrophobicContact CG-CE2 4.43Å; E13-Y17 WeakPolarHBondContact O-CD2 3.33Å; E13-Y17 WeakPolarHBondContact O-CE2 3.37Å; E13-Y17 PolarHBondContact OE1-OH 3.02Å |
| 14 | P | 48.5 | Very low | 50.5 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -18.4 | 162.2 | 33.3 | -29.1 | 0 | 0 | 0 | 114 | ||
| 15 | K | 49.9 | Very low | 51.5 | Low | 157 Ų | 157 | 114.7 Ų | 114.7 | 68% | 0.683 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -85.6 | -30.3 | -177.4 | -68.8 | -178 | -179.7 | 174.2 | 0 | 112.5 | L19 | K15-L19 WeakPolarHBondContact O-CB 3.09Å; K15-L19 PolarHBondContact O-N 3.21Å |
| 16 | L | 53.9 | Low | 52.1 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 36% | 0.361 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67 | -45.7 | -178.3 | -68.3 | 162.3 | 0 | 0 | 0 | 111.5 | K12 R18 L19 L20 Y35 | K12-L16 WeakPolarHBondContact O-CD1 3.45Å; L16-R18 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 2.92Å; L16-L20 PolarHBondContact O-N 3.5Å; L16-Y35 HydrophobicContact CD2-CD2 4.46Å; L16-Y35 HydrophobicContact CD2-CE2 3.8Å |
| 17 | Y | 55.9 | Low | 53.3 | Low | 51 Ų | 51 | 108.5 Ų | 108.5 | 20% | 0.2 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -61 | -45.4 | 176.7 | -58.4 | -68 | 0 | 0 | 0 | 112.1 | E13 L19 L20 G21 C22 I31 | E13-Y17 HydrophobicContact CB-CE2 4.05Å; E13-Y17 HydrophobicContact CG-CE2 4.43Å; E13-Y17 WeakPolarHBondContact O-CD2 3.33Å; E13-Y17 WeakPolarHBondContact O-CE2 3.37Å; E13-Y17 PolarHBondContact OE1-OH 3.02Å; Y17-L19 VanDerWaalsContact C-N 3.33Å; Y17-L19 PolarHBondContact O-N 3.12Å; Y17-L20 PolarHBondContact O-N 2.96Å; Y17-G21 PolarHBondContact O-N 3.17Å; Y17-C22 CarbonylContact C-O 3.56Å; Y17-C22 PolarHBondContact O-N 3.39Å; Y17-I31 HydrophobicContact CD1-CD1 3.77Å; Y17-I31 HydrophobicContact CD1-CG2 3.96Å; Y17-I31 HydrophobicContact CE1-CD1 3.45Å; Y17-I31 VanDerWaalsContact CE1-CD1 3.45Å; Y17-I31 HydrophobicContact CE1-CG2 3.83Å |
| 18 | R | 54.6 | Low | 54.2 | Low | 226 Ų | 226 | 109.2 Ų | 109.2 | 85% | 0.853 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.8 | -30.6 | 177.9 | -158.7 | 170.7 | -171.1 | 167.1 | 2.5 | 113.8 | L16 | L16-R18 PolarHBondContact O-N 3.23Å |
| 19 | L | 56 | Low | 55 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 75% | 0.749 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77 | -31.8 | 174.3 | -147.1 | 95.8 | 0 | 0 | 0 | 111.9 | K15 L16 Y17 G21 R38 | K15-L19 WeakPolarHBondContact O-CB 3.09Å; K15-L19 PolarHBondContact O-N 3.21Å; L16-L19 PolarHBondContact O-N 2.92Å; Y17-L19 VanDerWaalsContact C-N 3.33Å; Y17-L19 PolarHBondContact O-N 3.12Å; L19-G21 VanDerWaalsContact C-N 3.35Å; L19-R38 PolarHBondContact O-NH1 3.18Å |
| 20 | L | 59.5 | Low | 56.2 | Low | 10 Ų | 10 | 109.4 Ų | 109.4 | 5% | 0.052 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -75.9 | -24.3 | 174.5 | -104.9 | 70.2 | 0 | 0 | 0 | 112.5 | L16 Y17 C22 I31 E34 Y35 R38 | L16-L20 PolarHBondContact O-N 3.5Å; Y17-L20 PolarHBondContact O-N 2.96Å; L20-C22 HydrophobicContact CB-CB 4.25Å; L20-I31 HydrophobicContact CD2-CG2 3.81Å; L20-I31 VanDerWaalsContact CD2-O 3.32Å; L20-I31 WeakPolarHBondContact CD2-O 3.38Å; L20-E34 HydrophobicContact CD2-CB 4.2Å; L20-E34 HydrophobicContact CD2-CG 4.42Å; L20-Y35 HydrophobicContact CD1-CD2 3.86Å; L20-R38 VanDerWaalsContact C-NH1 3.29Å; L20-R38 VanDerWaalsContact CA-NH1 3.3Å; L20-R38 VanDerWaalsContact O-CZ 3.28Å; L20-R38 PolarHBondContact O-NH1 2.99Å; L20-R38 PolarHBondContact O-NH2 3.11Å |
| 21 | G | 56 | Low | 57.6 | Low | 70 Ų | 70 | 101.1 Ų | 101.1 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 16.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y17 L19 | Y17-G21 PolarHBondContact O-N 3.17Å; L19-G21 VanDerWaalsContact C-N 3.35Å |
| 22 | C | 51.8 | Low | 58.9 | Low | 24 Ų | 24 | 98.3 Ų | 98.3 | 16% | 0.162 | 52% | 0.518 | C | S | . | . | trans | -92.7 | 137.1 | 173.1 | -89.3 | 0 | 0 | 0 | 0 | 109.5 | Y17 L20 I31 | Y17-C22 CarbonylContact C-O 3.56Å; Y17-C22 PolarHBondContact O-N 3.39Å; L20-C22 HydrophobicContact CB-CB 4.25Å; C22-I31 HydrophobicContact CB-CG1 4.25Å | ||
| 23 | D | 56.3 | Low | 60.2 | Low | 98 Ų | 98 | 93.6 Ų | 93.6 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | trans | -80.9 | 154 | 174.3 | -166.2 | -94.3 | 0 | 0 | 0 | 110.8 | S25 S26 | D23-S25 PolarHBondContact O-N 3.02Å; D23-S25 WeakPolarHBondContact OD1-CB 3.3Å; D23-S25 PolarHBondContact OD1-N 3.33Å; D23-S25 VanDerWaalsContact OD1-N 3.12Å; D23-S25 PolarHBondContact OD1-OG 2.96Å; D23-S26 WeakPolarHBondContact O-CB 3.32Å; D23-S26 PolarHBondContact O-N 3.42Å; D23-S26 PolarHBondContact O-OG 2.93Å | ||
| 24 | E | 58.8 | Low | 61 | Low | 177 Ų | 177 | 92.6 Ų | 92.6 | 83% | 0.827 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.6 | 178.4 | -27.8 | -176.2 | 111.4 | 0 | 0 | 112.5 | S26 | E24-S26 VanDerWaalsContact C-N 3.28Å; E24-S26 PolarHBondContact O-N 3.41Å |
| 25 | S | 62.3 | Low | 62.1 | Low | 109 Ų | 109 | 92.5 Ų | 92.5 | 76% | 0.762 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.2 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 114.5 | D23 | D23-S25 PolarHBondContact O-N 3.02Å; D23-S25 WeakPolarHBondContact OD1-CB 3.3Å; D23-S25 PolarHBondContact OD1-N 3.33Å; D23-S25 VanDerWaalsContact OD1-N 3.12Å; D23-S25 PolarHBondContact OD1-OG 2.96Å |
| 26 | S | 57.4 | Low | 63 | Low | 46 Ų | 46 | 88.9 Ų | 88.9 | 32% | 0.322 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -80.7 | 142.3 | 178.9 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | D23 E24 I31 | D23-S26 WeakPolarHBondContact O-CB 3.32Å; D23-S26 PolarHBondContact O-N 3.42Å; D23-S26 PolarHBondContact O-OG 2.93Å; E24-S26 VanDerWaalsContact C-N 3.28Å; E24-S26 PolarHBondContact O-N 3.41Å; S26-I31 WeakPolarHBondContact O-CD1 3.06Å |
| 27 | S | 70.1 | Confident | 63.5 | Low | 82 Ų | 82 | 88.2 Ų | 88.2 | 57% | 0.573 | 48% | 0.477 | S | S | * | . | trans | -67 | 138.6 | 179.6 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | D29 Q30 I31 | S27-D29 PolarHBondContact O-N 3.47Å; S27-Q30 WeakPolarHBondContact O-CB 3.19Å; S27-Q30 PolarHBondContact O-N 3.35Å; S27-I31 PolarHBondContact O-N 2.68Å | ||
| 28 | I | 69.3 | Low | 64.1 | Low | 126 Ų | 126 | 91.2 Ų | 91.2 | 65% | 0.646 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -50.9 | -35.4 | -176.6 | -62 | 175.5 | 0 | 0 | 0 | 111.8 | I31 T32 | I28-I31 PolarHBondContact O-N 2.77Å; I28-T32 VanDerWaalsContact O-CB 3.3Å; I28-T32 WeakPolarHBondContact O-CB 3.2Å; I28-T32 PolarHBondContact O-N 2.94Å; I28-T32 PolarHBondContact O-OG1 3.04Å |
| 29 | D | 68.4 | Low | 64.6 | Low | 122 Ų | 122 | 83.3 Ų | 83.3 | 65% | 0.652 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 178.8 | -166.4 | -104.2 | 0 | 0 | 0 | 112.9 | S27 T32 A33 | S27-D29 PolarHBondContact O-N 3.47Å; D29-T32 PolarHBondContact O-N 3.28Å; D29-A33 WeakPolarHBondContact O-CB 3.44Å; D29-A33 PolarHBondContact O-N 3Å |
| 30 | Q | 67.4 | Low | 64.8 | Low | 131 Ų | 131 | 84.8 Ų | 84.8 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.5 | -45.2 | 176.9 | -78 | -73.9 | -43.9 | 0 | 0 | 111.5 | S27 T32 A33 E34 | S27-Q30 WeakPolarHBondContact O-CB 3.19Å; S27-Q30 PolarHBondContact O-N 3.35Å; Q30-T32 VanDerWaalsContact C-N 3.31Å; Q30-T32 PolarHBondContact O-N 3.02Å; Q30-A33 PolarHBondContact O-N 2.94Å; Q30-E34 PolarHBondContact O-N 2.97Å |
| 31 | I | 72.2 | Confident | 64.8 | Low | 16 Ų | 16 | 90.5 Ų | 90.5 | 8% | 0.082 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | -180 | -57 | 174.3 | 0 | 0 | 0 | 110.1 | Y17 L20 C22 S26 S27 I28 Y35 | Y17-I31 HydrophobicContact CD1-CD1 3.77Å; Y17-I31 HydrophobicContact CD1-CG2 3.96Å; Y17-I31 HydrophobicContact CE1-CD1 3.45Å; Y17-I31 VanDerWaalsContact CE1-CD1 3.45Å; Y17-I31 HydrophobicContact CE1-CG2 3.83Å; L20-I31 HydrophobicContact CD2-CG2 3.81Å; L20-I31 VanDerWaalsContact CD2-O 3.32Å; L20-I31 WeakPolarHBondContact CD2-O 3.38Å; C22-I31 HydrophobicContact CB-CG1 4.25Å; S26-I31 WeakPolarHBondContact O-CD1 3.06Å; S27-I31 PolarHBondContact O-N 2.68Å; I28-I31 PolarHBondContact O-N 2.77Å; I31-Y35 WeakPolarHBondContact O-CB 3.36Å; I31-Y35 PolarHBondContact O-N 3.33Å |
| 32 | T | 70.1 | Confident | 64.6 | Low | 44 Ų | 44 | 91.9 Ų | 91.9 | 27% | 0.27 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 179.9 | -54 | 0 | 0 | 0 | 0 | 111.6 | L7 I28 D29 Q30 R36 | L7-T32 HydrophobicContact CD1-CG2 4.42Å; I28-T32 VanDerWaalsContact O-CB 3.3Å; I28-T32 WeakPolarHBondContact O-CB 3.2Å; I28-T32 PolarHBondContact O-N 2.94Å; I28-T32 PolarHBondContact O-OG1 3.04Å; D29-T32 PolarHBondContact O-N 3.28Å; Q30-T32 VanDerWaalsContact C-N 3.31Å; Q30-T32 PolarHBondContact O-N 3.02Å; T32-R36 WeakPolarHBondContact O-CB 3.24Å; T32-R36 WeakPolarHBondContact O-CD 3.45Å; T32-R36 WeakPolarHBondContact O-CG 3.33Å; T32-R36 PolarHBondContact O-N 3.07Å |
| 33 | A | 71.1 | Confident | 65.1 | Low | 56 Ų | 56 | 95.4 Ų | 95.4 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D29 Q30 R36 A37 | D29-A33 WeakPolarHBondContact O-CB 3.44Å; D29-A33 PolarHBondContact O-N 3Å; Q30-A33 PolarHBondContact O-N 2.94Å; A33-R36 PolarHBondContact O-N 3.27Å; A33-A37 PolarHBondContact O-N 3.42Å; A33-A37 VanDerWaalsContact O-N 3.08Å |
| 34 | E | 71.8 | Confident | 64.9 | Low | 88 Ų | 88 | 94.7 Ų | 94.7 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 179.4 | -170.5 | 139.9 | 84.1 | 0 | 0 | 112.2 | L20 Q30 R36 A37 R38 | L20-E34 HydrophobicContact CD2-CB 4.2Å; L20-E34 HydrophobicContact CD2-CG 4.42Å; Q30-E34 PolarHBondContact O-N 2.97Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.34Å; E34-A37 PolarHBondContact O-N 3.08Å; E34-R38 PolarHBondContact O-N 2.9Å; E34-R38 IonicContact OE1-NH2 3.06Å |
| 35 | Y | 71.3 | Confident | 64.7 | Low | 97 Ų | 97 | 91.4 Ų | 91.4 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 173.7 | 175.7 | -103.1 | 0 | 0 | 0 | 110.9 | L16 L20 I31 A37 R38 V39 | L16-Y35 HydrophobicContact CD2-CD2 4.46Å; L16-Y35 HydrophobicContact CD2-CE2 3.8Å; L20-Y35 HydrophobicContact CD1-CD2 3.86Å; I31-Y35 WeakPolarHBondContact O-CB 3.36Å; I31-Y35 PolarHBondContact O-N 3.33Å; Y35-A37 VanDerWaalsContact C-N 3.32Å; Y35-A37 PolarHBondContact O-N 3.46Å; Y35-R38 PolarHBondContact O-N 2.85Å; Y35-V39 HydrophobicContact CD1-CG2 4.17Å; Y35-V39 HydrophobicContact CD2-CG2 3.89Å; Y35-V39 HydrophobicContact CE1-CG2 3.84Å; Y35-V39 HydrophobicContact CE2-CG2 3.53Å; Y35-V39 HydrophobicContact CG-CG2 4.2Å; Y35-V39 WeakPolarHBondContact O-CB 3.21Å; Y35-V39 VanDerWaalsContact O-CG2 3.24Å; Y35-V39 WeakPolarHBondContact O-CG2 3.39Å; Y35-V39 PolarHBondContact O-N 3.44Å |
| 36 | R | 67.9 | Low | 64.1 | Low | 81 Ų | 81 | 94.1 Ų | 94.1 | 31% | 0.306 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 178.2 | -76.6 | 169.6 | 160 | -106.3 | -14.7 | 112.6 | F3 T32 A33 E34 R40 | F3-R36 VanDerWaalsContact CE1-CZ 3.42Å; T32-R36 WeakPolarHBondContact O-CB 3.24Å; T32-R36 WeakPolarHBondContact O-CD 3.45Å; T32-R36 WeakPolarHBondContact O-CG 3.33Å; T32-R36 PolarHBondContact O-N 3.07Å; A33-R36 PolarHBondContact O-N 3.27Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.34Å; R36-R40 WeakPolarHBondContact O-CB 3.44Å; R36-R40 PolarHBondContact O-N 3.24Å; R36-R40 VanDerWaalsContact O-N 3.13Å |
| 37 | A | 66.2 | Low | 63.9 | Low | 55 Ų | 55 | 95.1 Ų | 95.1 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -50.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | A33 E34 Y35 R40 D41 | A33-A37 PolarHBondContact O-N 3.42Å; A33-A37 VanDerWaalsContact O-N 3.08Å; E34-A37 PolarHBondContact O-N 3.08Å; Y35-A37 VanDerWaalsContact C-N 3.32Å; Y35-A37 PolarHBondContact O-N 3.46Å; A37-R40 PolarHBondContact O-N 3.36Å; A37-D41 PolarHBondContact O-N 3Å |
| 38 | R | 66.8 | Low | 62.9 | Low | 114 Ų | 114 | 98.9 Ų | 98.9 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | -179.2 | -71.3 | -172.8 | -175.1 | 175.1 | 14.7 | 113.7 | L19 L20 E34 Y35 R40 D41 C42 | L19-R38 PolarHBondContact O-NH1 3.18Å; L20-R38 VanDerWaalsContact C-NH1 3.29Å; L20-R38 VanDerWaalsContact CA-NH1 3.3Å; L20-R38 VanDerWaalsContact O-CZ 3.28Å; L20-R38 PolarHBondContact O-NH1 2.99Å; L20-R38 PolarHBondContact O-NH2 3.11Å; E34-R38 PolarHBondContact O-N 2.9Å; E34-R38 IonicContact OE1-NH2 3.06Å; Y35-R38 PolarHBondContact O-N 2.85Å; R38-R40 VanDerWaalsContact C-N 3.3Å; R38-R40 PolarHBondContact O-N 3.13Å; R38-D41 PolarHBondContact O-N 3.47Å; R38-C42 PolarHBondContact O-N 3.04Å |
| 39 | V | 65.8 | Low | 62 | Low | 61 Ų | 61 | 101.4 Ų | 101.4 | 37% | 0.37 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 176.8 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | Y35 D41 H43 | Y35-V39 HydrophobicContact CD1-CG2 4.17Å; Y35-V39 HydrophobicContact CD2-CG2 3.89Å; Y35-V39 HydrophobicContact CE1-CG2 3.84Å; Y35-V39 HydrophobicContact CE2-CG2 3.53Å; Y35-V39 HydrophobicContact CG-CG2 4.2Å; Y35-V39 WeakPolarHBondContact O-CB 3.21Å; Y35-V39 VanDerWaalsContact O-CG2 3.24Å; Y35-V39 WeakPolarHBondContact O-CG2 3.39Å; Y35-V39 PolarHBondContact O-N 3.44Å; V39-D41 VanDerWaalsContact C-N 3.32Å; V39-H43 WeakPolarHBondContact O-CA 3.18Å; V39-H43 PolarHBondContact O-N 2.9Å |
| 40 | R | 60.4 | Low | 61 | Low | 174 Ų | 174 | 102 Ų | 102 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.4 | -35.1 | 175.1 | -173.3 | 179 | -74.4 | 121 | -8.8 | 111.7 | R36 A37 R38 | R36-R40 WeakPolarHBondContact O-CB 3.44Å; R36-R40 PolarHBondContact O-N 3.24Å; R36-R40 VanDerWaalsContact O-N 3.13Å; A37-R40 PolarHBondContact O-N 3.36Å; R38-R40 VanDerWaalsContact C-N 3.3Å; R38-R40 PolarHBondContact O-N 3.13Å |
| 41 | D | 59.6 | Low | 60 | Low | 130 Ų | 130 | 100 Ų | 100 | 70% | 0.695 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.7 | -41.5 | 177.8 | -137.2 | -104.1 | 0 | 0 | 0 | 112.3 | A37 R38 V39 H43 | A37-D41 PolarHBondContact O-N 3Å; R38-D41 PolarHBondContact O-N 3.47Å; V39-D41 VanDerWaalsContact C-N 3.32Å; D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3.45Å |
| 42 | C | 52.2 | Low | 58.9 | Low | 99 Ų | 99 | 103.8 Ų | 103.8 | 67% | 0.669 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 13.8 | 176.5 | -83.4 | 0 | 0 | 0 | 0 | 114.3 | R38 P44 | R38-C42 PolarHBondContact O-N 3.04Å; C42-P44 WeakPolarHBondContact O-CD 3.48Å |
| 43 | H | 61.2 | Low | 57.9 | Low | 97 Ų | 97 | 105.9 Ų | 105.9 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | trans | -63.6 | 122.9 | -177 | -167.7 | -97.5 | 0 | 0 | 0 | 109.6 | V39 D41 D45 K46 V47 | V39-H43 WeakPolarHBondContact O-CA 3.18Å; V39-H43 PolarHBondContact O-N 2.9Å; D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3.45Å; H43-D45 VanDerWaalsContact CE1-CB 3.43Å; H43-D45 WeakPolarHBondContact CE1-CB 3.08Å; H43-D45 WeakPolarHBondContact ND1-CB 3.43Å; H43-D45 PolarHBondContact ND1-N 2.91Å; H43-D45 PolarHBondContact O-N 3.49Å; H43-K46 PolarHBondContact O-N 3.34Å; H43-V47 PolarHBondContact O-N 3.3Å | ||
| 44 | P | 52.4 | Low | 56.8 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -12.7 | -172.8 | 24.2 | -34.2 | 0 | 0 | 0 | 113.4 | C42 K46 V47 K48 | C42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-K46 VanDerWaalsContact C-N 3.29Å; P44-K46 PolarHBondContact O-N 3.43Å; P44-V47 PolarHBondContact O-N 3.44Å; P44-K48 VanDerWaalsContact O-CG 3.27Å; P44-K48 WeakPolarHBondContact O-CG 3.22Å; P44-K48 PolarHBondContact O-N 3.49Å |
| 45 | D | 54.7 | Low | 55.9 | Low | 108 Ų | 108 | 105.7 Ų | 105.7 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.5 | -26 | 171.8 | -150.2 | -121.9 | 0 | 0 | 0 | 113.5 | H43 K48 | H43-D45 VanDerWaalsContact CE1-CB 3.43Å; H43-D45 WeakPolarHBondContact CE1-CB 3.08Å; H43-D45 WeakPolarHBondContact ND1-CB 3.43Å; H43-D45 PolarHBondContact ND1-N 2.91Å; H43-D45 PolarHBondContact O-N 3.49Å; D45-K48 IonicContact OD2-NZ 3.9Å; D45-K48 PolarHBondContact OD2-NZ 2.66Å |
| 46 | K | 50.7 | Low | 55.2 | Low | 166 Ų | 166 | 107.1 Ų | 107.1 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -87.1 | -28.2 | 167.7 | -103.8 | -179.2 | 171.5 | -169.3 | 0 | 112.9 | H43 P44 K48 | H43-K46 PolarHBondContact O-N 3.34Å; P44-K46 VanDerWaalsContact C-N 3.29Å; P44-K46 PolarHBondContact O-N 3.43Å; K46-K48 VanDerWaalsContact C-N 3.33Å |
| 47 | V | 52.1 | Low | 54.8 | Low | 68 Ų | 68 | 110.6 Ų | 110.6 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -84.1 | -7.8 | -177.9 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | H43 P44 E49 H50 | H43-V47 PolarHBondContact O-N 3.3Å; P44-V47 PolarHBondContact O-N 3.44Å; V47-E49 PolarHBondContact O-N 2.93Å; V47-H50 PolarHBondContact O-N 3.35Å |
| 48 | K | 49.7 | Very low | 54.4 | Low | 160 Ų | 160 | 115 Ų | 115 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -23.5 | 170.2 | -83.2 | 166.9 | -164.5 | 169.4 | 0 | 113.1 | P44 D45 K46 | P44-K48 VanDerWaalsContact O-CG 3.27Å; P44-K48 WeakPolarHBondContact O-CG 3.22Å; P44-K48 PolarHBondContact O-N 3.49Å; D45-K48 IonicContact OD2-NZ 3.9Å; D45-K48 PolarHBondContact OD2-NZ 2.66Å; K46-K48 VanDerWaalsContact C-N 3.33Å |
| 49 | E | 49.6 | Very low | 54.1 | Low | 180 Ų | 180 | 116.5 Ų | 116.5 | 84% | 0.841 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -17.2 | -178.4 | -156.5 | 177.3 | 97.5 | 0 | 0 | 113.1 | V47 | V47-E49 PolarHBondContact O-N 2.93Š|
| 50 | H | 47 | Very low | 53.9 | Low | 134 Ų | 134 | 121.1 Ų | 121.1 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -119.8 | 58.2 | -174.2 | -155.4 | -111.4 | 0 | 0 | 0 | 113.2 | V47 | V47-H50 PolarHBondContact O-N 3.35Š|
| 51 | N | 47 | Very low | 53.8 | Low | 89 Ų | 89 | 118.6 Ų | 118.6 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | trans | -134.3 | 26.8 | 163.1 | -104.9 | -83.3 | 0 | 0 | 0 | 113.7 | N53 S54 | N51-N53 VanDerWaalsContact C-N 3.26Å; N51-S54 PolarHBondContact O-N 2.98Å; N51-S54 WeakPolarHBondContact OD1-CB 3.27Å; N51-S54 PolarHBondContact OD1-OG 3.06Å | ||
| 52 | T | 49.3 | Very low | 53.8 | Low | 96 Ų | 96 | 117.6 Ų | 117.6 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.1 | -22.5 | 166.3 | 25.9 | 0 | 0 | 0 | 0 | 113.2 | T55 | T52-T55 WeakPolarHBondContact CA-OG1 3.45Å; T52-T55 PolarHBondContact O-OG1 2.79Å |
| 53 | N | 50 | Low | 54.1 | Low | 88 Ų | 88 | 115.4 Ų | 115.4 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.2 | -22.9 | 175.8 | -71 | -83.3 | 0 | 0 | 0 | 113.7 | N51 | N51-N53 VanDerWaalsContact C-N 3.26Å |
| 54 | S | 47.7 | Very low | 53.7 | Low | 64 Ų | 64 | 115.6 Ų | 115.6 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -81.6 | -28.5 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | N51 F58 | N51-S54 PolarHBondContact O-N 2.98Å; N51-S54 WeakPolarHBondContact OD1-CB 3.27Å; N51-S54 PolarHBondContact OD1-OG 3.06Å; S54-F58 PolarHBondContact O-N 2.9Å |
| 55 | T | 52.4 | Low | 53.6 | Low | 75 Ų | 75 | 118.4 Ų | 118.4 | 46% | 0.46 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.1 | -36.2 | 174.9 | 25.7 | 0 | 0 | 0 | 0 | 113.1 | T52 F58 M59 | T52-T55 WeakPolarHBondContact CA-OG1 3.45Å; T52-T55 PolarHBondContact O-OG1 2.79Å; T55-F58 PolarHBondContact O-N 3.1Å; T55-M59 WeakPolarHBondContact O-CG 3.41Å; T55-M59 PolarHBondContact O-N 3.28Å |
| 56 | E | 56.4 | Low | 53.6 | Low | 127 Ų | 127 | 120.4 Ų | 120.4 | 59% | 0.593 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.5 | -46.4 | 179.1 | -70.5 | -172.8 | 96.3 | 0 | 0 | 111.7 | F58 M59 E60 | E56-F58 PolarHBondContact O-N 2.88Å; E56-M59 PolarHBondContact O-N 3.29Å; E56-E60 WeakPolarHBondContact O-CB 3.29Å; E56-E60 PolarHBondContact O-N 3.26Å |
| 57 | K | 59.3 | Low | 53.3 | Low | 154 Ų | 154 | 124.8 Ų | 124.8 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.1 | -33.6 | 176 | -66.8 | -177.7 | -179.7 | 177.8 | 0 | 112.4 | L61 | K57-L61 WeakPolarHBondContact O-CB 3.38Å; K57-L61 WeakPolarHBondContact O-CD1 3.3Å; K57-L61 VanDerWaalsContact O-CG 3.3Å; K57-L61 WeakPolarHBondContact O-CG 3.46Å; K57-L61 PolarHBondContact O-N 3.22Å; K57-L61 VanDerWaalsContact O-N 3.1Å |
| 58 | F | 58.7 | Low | 53.4 | Low | 148 Ų | 148 | 127.7 Ų | 127.7 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73 | -40.4 | 177.3 | -137.5 | -90.2 | 0 | 0 | 0 | 112.1 | S54 T55 E56 Q62 | S54-F58 PolarHBondContact O-N 2.9Å; T55-F58 PolarHBondContact O-N 3.1Å; E56-F58 PolarHBondContact O-N 2.88Å; F58-Q62 HydrophobicContact CD1-CG 4.42Å; F58-Q62 VanDerWaalsContact O-CG 3.29Å; F58-Q62 WeakPolarHBondContact O-CG 3.46Å; F58-Q62 PolarHBondContact O-N 3.43Å |
| 59 | M | 59.5 | Low | 53.6 | Low | 145 Ų | 145 | 125.9 Ų | 125.9 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.8 | -40.7 | 174.3 | -76.2 | -173.6 | 176.3 | 0 | 0 | 112.1 | T55 E56 Q62 G63 | T55-M59 WeakPolarHBondContact O-CG 3.41Å; T55-M59 PolarHBondContact O-N 3.28Å; E56-M59 PolarHBondContact O-N 3.29Å; M59-Q62 PolarHBondContact O-N 3.14Å; M59-G63 PolarHBondContact O-N 3.02Å |
| 60 | E | 61.7 | Low | 53.8 | Low | 159 Ų | 159 | 122.9 Ų | 122.9 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.4 | -41.6 | 178.1 | -143.6 | 175.6 | 93.3 | 0 | 0 | 111.4 | E56 G63 S64 | E56-E60 WeakPolarHBondContact O-CB 3.29Å; E56-E60 PolarHBondContact O-N 3.26Å; E60-G63 PolarHBondContact O-N 3.44Å; E60-S64 PolarHBondContact O-N 3.42Å; E60-S64 VanDerWaalsContact O-N 3.14Å |
| 61 | L | 59.3 | Low | 54.2 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 63% | 0.628 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64 | -38.7 | 172.9 | -79.5 | 167.7 | 0 | 0 | 0 | 112.9 | K57 S64 | K57-L61 WeakPolarHBondContact O-CB 3.38Å; K57-L61 WeakPolarHBondContact O-CD1 3.3Å; K57-L61 VanDerWaalsContact O-CG 3.3Å; K57-L61 WeakPolarHBondContact O-CG 3.46Å; K57-L61 PolarHBondContact O-N 3.22Å; K57-L61 VanDerWaalsContact O-N 3.1Å; L61-S64 PolarHBondContact O-N 2.95Å |
| 62 | Q | 58.5 | Low | 54.6 | Low | 109 Ų | 109 | 124.4 Ų | 124.4 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | 175.9 | -73.5 | -70.1 | -92.2 | 0 | 0 | 112.4 | F58 M59 S64 L65 | F58-Q62 HydrophobicContact CD1-CG 4.42Å; F58-Q62 VanDerWaalsContact O-CG 3.29Å; F58-Q62 WeakPolarHBondContact O-CG 3.46Å; F58-Q62 PolarHBondContact O-N 3.43Å; M59-Q62 PolarHBondContact O-N 3.14Å; Q62-S64 VanDerWaalsContact C-N 3.3Å; Q62-S64 PolarHBondContact O-N 3.36Å; Q62-L65 PolarHBondContact O-N 3.28Å |
| 63 | G | 58 | Low | 55 | Low | 53 Ų | 53 | 126.3 Ų | 126.3 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64.3 | -34 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M59 E60 L65 | M59-G63 PolarHBondContact O-N 3.02Å; E60-G63 PolarHBondContact O-N 3.44Å; G63-L65 VanDerWaalsContact C-N 3.3Å; G63-L65 PolarHBondContact O-N 3.37Å |
| 64 | S | 53 | Low | 55.3 | Low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | -179.9 | -160.7 | 0 | 0 | 0 | 0 | 114.5 | E60 L61 Q62 | E60-S64 PolarHBondContact O-N 3.42Å; E60-S64 VanDerWaalsContact O-N 3.14Å; L61-S64 PolarHBondContact O-N 2.95Å; Q62-S64 VanDerWaalsContact C-N 3.3Å; Q62-S64 PolarHBondContact O-N 3.36Å |
| 65 | L | 51.3 | Low | 55.9 | Low | 142 Ų | 142 | 134 Ų | 134 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -4.8 | -178.6 | -149 | 96.1 | 0 | 0 | 0 | 113.7 | Q62 G63 | Q62-L65 PolarHBondContact O-N 3.28Å; G63-L65 VanDerWaalsContact C-N 3.3Å; G63-L65 PolarHBondContact O-N 3.37Å |
| 66 | I | 53.8 | Low | 56.2 | Low | 150 Ų | 150 | 138.9 Ų | 138.9 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -109.7 | 16.2 | -172.9 | -61.4 | 171.1 | 0 | 0 | 0 | 112.1 | ||||
| 67 | K | 45 | Very low | 56.2 | Low | 259 Ų | 259 | 140 Ų | 140 | 100% | 1.126 | 71% | 0.71 | S | S | * | * | trans | -110.7 | 0 | 177.2 | -166.8 | 149.1 | -177.5 | 164.6 | 0 | 113.6 |
Retrieved 67 of 67 residues in 57.3 ms
(Link to these results)