| 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 | 62.6 | Low | 74.3 | Confident | 190 Ų | 190 | 130.8 Ų | 130.8 | 94% | 0.936 | 62% | 0.623 | S | S | * | * | 0 | -50.5 | 0 | -128.5 | 167.4 | 79.3 | 0 | 0 | 113.4 | R3 H4 | M1-R3 PolarHBondContact O-N 3.33Å; M1-H4 PolarHBondContact O-N 3.37Å | |||
| 2 | Y | 71.3 | Confident | 74.1 | Confident | 188 Ų | 188 | 127.7 Ų | 127.7 | 74% | 0.737 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.5 | -37.3 | -178.3 | -99.2 | -96 | 0 | 0 | 0 | 115.9 | H4 I5 Q6 | Y2-H4 VanDerWaalsContact C-N 3.33Å; Y2-H4 PolarHBondContact O-N 3.24Å; Y2-I5 PolarHBondContact O-N 3.37Å; Y2-Q6 WeakPolarHBondContact O-CG 3.33Å; Y2-Q6 PolarHBondContact O-N 2.87Å |
| 3 | R | 69.1 | Low | 73.5 | Confident | 212 Ų | 212 | 133.4 Ų | 133.4 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.5 | -36.9 | 177.9 | -86.4 | -179.9 | 164 | 179.2 | -4.6 | 113.8 | M1 A7 | M1-R3 PolarHBondContact O-N 3.33Å; R3-A7 WeakPolarHBondContact O-CB 3.37Å; R3-A7 PolarHBondContact O-N 3.31Å |
| 4 | H | 75.6 | Confident | 72.7 | Confident | 147 Ų | 147 | 136.1 Ų | 136.1 | 68% | 0.681 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72 | -35.7 | 179.2 | -59.5 | -68.7 | 0 | 0 | 0 | 111.3 | M1 Y2 A7 L8 | M1-H4 PolarHBondContact O-N 3.37Å; Y2-H4 VanDerWaalsContact C-N 3.33Å; Y2-H4 PolarHBondContact O-N 3.24Å; H4-A7 PolarHBondContact O-N 3.31Å; H4-L8 WeakPolarHBondContact O-CB 3.25Å; H4-L8 PolarHBondContact O-N 3.26Å |
| 5 | I | 80.5 | Confident | 72 | Confident | 81 Ų | 81 | 135.6 Ų | 135.6 | 42% | 0.415 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.1 | -43.9 | 176.6 | -61 | 171.5 | 0 | 0 | 0 | 110.4 | Y2 L8 Q9 | Y2-I5 PolarHBondContact O-N 3.37Å; I5-L8 PolarHBondContact O-N 2.99Å; I5-Q9 WeakPolarHBondContact O-CG 3.3Å; I5-Q9 PolarHBondContact O-N 2.84Å |
| 6 | Q | 79.3 | Confident | 71.4 | Confident | 110 Ų | 110 | 137.4 Ų | 137.4 | 51% | 0.514 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.4 | -41.5 | 175.7 | -71.7 | 175.5 | -27.8 | 0 | 0 | 112.2 | Y2 L8 Q9 Q10 | Y2-Q6 WeakPolarHBondContact O-CG 3.33Å; Y2-Q6 PolarHBondContact O-N 2.87Å; Q6-L8 VanDerWaalsContact C-N 3.32Å; Q6-L8 PolarHBondContact O-N 2.88Å; Q6-Q9 PolarHBondContact O-N 3.39Å; Q6-Q10 WeakPolarHBondContact O-CB 3.23Å; Q6-Q10 PolarHBondContact O-N 3.46Å |
| 7 | A | 79.1 | Confident | 70.7 | Confident | 50 Ų | 50 | 135.3 Ų | 135.3 | 41% | 0.413 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -62.3 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R3 H4 Q10 V11 | R3-A7 WeakPolarHBondContact O-CB 3.37Å; R3-A7 PolarHBondContact O-N 3.31Å; H4-A7 PolarHBondContact O-N 3.31Å; A7-Q10 PolarHBondContact O-N 2.95Å; A7-V11 VanDerWaalsContact O-CG2 3.31Å; A7-V11 WeakPolarHBondContact O-CG2 3.36Å; A7-V11 PolarHBondContact O-N 3.48Å |
| 8 | L | 76.9 | Confident | 70.2 | Confident | 132 Ų | 132 | 134.3 Ų | 134.3 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.7 | -41.6 | 178.1 | -155 | 122.5 | 0 | 0 | 0 | 111.8 | H4 I5 Q6 Q10 V11 S12 | H4-L8 WeakPolarHBondContact O-CB 3.25Å; H4-L8 PolarHBondContact O-N 3.26Å; I5-L8 PolarHBondContact O-N 2.99Å; Q6-L8 VanDerWaalsContact C-N 3.32Å; Q6-L8 PolarHBondContact O-N 2.88Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.45Å; L8-V11 PolarHBondContact O-N 3.03Å; L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 3.37Å |
| 9 | Q | 75.5 | Confident | 69.4 | Low | 100 Ų | 100 | 133.5 Ų | 133.5 | 47% | 0.467 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -62.7 | -35.9 | 172.1 | -74.9 | -180 | -22.7 | 0 | 0 | 112.5 | I5 Q6 S12 R13 | I5-Q9 WeakPolarHBondContact O-CG 3.3Å; I5-Q9 PolarHBondContact O-N 2.84Å; Q6-Q9 PolarHBondContact O-N 3.39Å; Q9-S12 PolarHBondContact O-OG 2.99Å; Q9-S12 VanDerWaalsContact O-OG 3.07Å; Q9-R13 WeakPolarHBondContact O-CB 3.37Å; Q9-R13 VanDerWaalsContact O-CG 3.23Å; Q9-R13 WeakPolarHBondContact O-CG 3.49Å; Q9-R13 PolarHBondContact O-N 3.25Å; Q9-R13 VanDerWaalsContact O-N 3.08Å |
| 10 | Q | 74.2 | Confident | 69.1 | Low | 135 Ų | 135 | 130.6 Ų | 130.6 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72.7 | -35.4 | 178.3 | -166 | 168.8 | 0.1 | 0 | 0 | 111.7 | Q6 A7 L8 R14 | Q6-Q10 WeakPolarHBondContact O-CB 3.23Å; Q6-Q10 PolarHBondContact O-N 3.46Å; A7-Q10 PolarHBondContact O-N 2.95Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.45Å; Q10-R14 WeakPolarHBondContact O-CG 3.37Å; Q10-R14 PolarHBondContact O-N 3.19Å |
| 11 | V | 73.2 | Confident | 68.7 | Low | 94 Ų | 94 | 135.8 Ų | 135.8 | 57% | 0.57 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.1 | -40.4 | 173.3 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | A7 L8 R13 R14 | A7-V11 VanDerWaalsContact O-CG2 3.31Å; A7-V11 WeakPolarHBondContact O-CG2 3.36Å; A7-V11 PolarHBondContact O-N 3.48Å; L8-V11 PolarHBondContact O-N 3.03Å; V11-R13 VanDerWaalsContact C-N 3.28Å; V11-R13 PolarHBondContact O-N 3.01Å; V11-R14 WeakPolarHBondContact O-CB 3.44Å; V11-R14 PolarHBondContact O-N 3.36Å |
| 12 | S | 71.6 | Confident | 68.7 | Low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.3 | -27 | 177.7 | 79.7 | 0 | 0 | 0 | 0 | 113.1 | L8 Q9 | L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 3.37Å; Q9-S12 PolarHBondContact O-OG 2.99Å; Q9-S12 VanDerWaalsContact O-OG 3.07Å |
| 13 | R | 66.6 | Low | 68.7 | Low | 202 Ų | 202 | 135.5 Ų | 135.5 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -3.6 | 175.8 | -72.3 | 179.3 | -178.6 | -155.9 | 1.6 | 113.9 | Q9 V11 T15 | Q9-R13 WeakPolarHBondContact O-CB 3.37Å; Q9-R13 VanDerWaalsContact O-CG 3.23Å; Q9-R13 WeakPolarHBondContact O-CG 3.49Å; Q9-R13 PolarHBondContact O-N 3.25Å; Q9-R13 VanDerWaalsContact O-N 3.08Å; V11-R13 VanDerWaalsContact C-N 3.28Å; V11-R13 PolarHBondContact O-N 3.01Å; R13-T15 PolarHBondContact O-N 3.46Å |
| 14 | R | 62.4 | Low | 69.4 | Low | 172 Ų | 172 | 130.7 Ų | 130.7 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -69.3 | 106.6 | 169.2 | -72.1 | -179.1 | -178.3 | -174.3 | -0.7 | 107.6 | Q10 V11 L16 | Q10-R14 WeakPolarHBondContact O-CG 3.37Å; Q10-R14 PolarHBondContact O-N 3.19Å; V11-R14 WeakPolarHBondContact O-CB 3.44Å; V11-R14 PolarHBondContact O-N 3.36Å; R14-L16 PolarHBondContact O-N 3.44Å; R14-L16 VanDerWaalsContact O-N 3.08Å |
| 15 | T | 63 | Low | 70 | Confident | 128 Ų | 128 | 129.4 Ų | 129.4 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -46.2 | 120.6 | 162.1 | -52.7 | 0 | 0 | 0 | 0 | 107.2 | R13 S17 | R13-T15 PolarHBondContact O-N 3.46Å; T15-S17 PolarHBondContact O-N 2.86Å | ||
| 16 | L | 61.6 | Low | 70.4 | Confident | 164 Ų | 164 | 128.7 Ų | 128.7 | 86% | 0.859 | 66% | 0.664 | S | S | * | * | trans | -67 | 72.8 | 174.2 | -67.1 | 171 | 0 | 0 | 0 | 108.2 | R14 T18 | R14-L16 PolarHBondContact O-N 3.44Å; R14-L16 VanDerWaalsContact O-N 3.08Å; L16-T18 PolarHBondContact O-N 3.21Å; L16-T18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | S | 58.9 | Low | 71.2 | Confident | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | trans | -77 | 95.4 | 171.5 | -177.6 | 0 | 0 | 0 | 0 | 106.1 | T15 S19 | T15-S17 PolarHBondContact O-N 2.86Å; S17-S19 PolarHBondContact O-N 2.97Å | ||
| 18 | T | 61.5 | Low | 72 | Confident | 118 Ų | 118 | 129.7 Ų | 129.7 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | trans | -66.6 | 109.4 | 174.3 | 87.8 | 0 | 0 | 0 | 0 | 106.9 | L16 A20 | L16-T18 PolarHBondContact O-N 3.21Å; L16-T18 VanDerWaalsContact O-N 3.12Å; T18-A20 PolarHBondContact O-N 2.94Å | ||
| 19 | S | 56 | Low | 73 | Confident | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | trans | -82.1 | 2.9 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | S17 R21 | S17-S19 PolarHBondContact O-N 2.97Å; S19-R21 PolarHBondContact O-N 3.3Å; S19-R21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | A | 62.9 | Low | 74 | Confident | 75 Ų | 75 | 127.3 Ų | 127.3 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -58.1 | 116.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | T18 R22 | T18-A20 PolarHBondContact O-N 2.94Å; A20-R22 PolarHBondContact O-N 3.32Å |
| 21 | R | 60.3 | Low | 75 | Confident | 240 Ų | 240 | 127 Ų | 127 | 91% | 0.906 | 65% | 0.652 | S | S | * | * | trans | -53.8 | 106.4 | 172.2 | -73.8 | -171.8 | -179.2 | -170.8 | 0.9 | 107.1 | S19 Q23 | S19-R21 PolarHBondContact O-N 3.3Å; S19-R21 VanDerWaalsContact O-N 3.08Å; R21-Q23 PolarHBondContact O-N 2.93Å | ||
| 22 | R | 62.7 | Low | 76.2 | Confident | 173 Ų | 173 | 127.2 Ų | 127.2 | 65% | 0.653 | 65% | 0.646 | S | S | * | * | trans | -59.9 | 108.7 | 172.6 | -139.8 | 179.4 | -176.6 | 172.4 | -2.8 | 105.1 | A20 V24 N26 | A20-R22 PolarHBondContact O-N 3.32Å; R22-V24 WeakPolarHBondContact CB-O 3.41Å; R22-V24 VanDerWaalsContact CD-O 3.29Å; R22-V24 WeakPolarHBondContact CD-O 3.46Å; R22-V24 WeakPolarHBondContact CG-O 3.26Å; R22-V24 PolarHBondContact O-N 2.93Å; R22-N26 PolarHBondContact NH1-ND2 3.18Å | ||
| 23 | Q | 71.4 | Confident | 77.5 | Confident | 200 Ų | 200 | 130.9 Ų | 130.9 | 94% | 0.935 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -57.8 | -16.4 | 178.6 | -75.2 | 178.4 | -62.2 | 0 | 0 | 111.6 | R21 | R21-Q23 PolarHBondContact O-N 2.93Š|
| 24 | V | 83.7 | Confident | 79 | Confident | 110 Ų | 110 | 125 Ų | 125 | 67% | 0.667 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -130.9 | 134.5 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | R22 | R22-V24 WeakPolarHBondContact CB-O 3.41Å; R22-V24 VanDerWaalsContact CD-O 3.29Å; R22-V24 WeakPolarHBondContact CD-O 3.46Å; R22-V24 WeakPolarHBondContact CG-O 3.26Å; R22-V24 PolarHBondContact O-N 2.93Å |
| 25 | E | 88.3 | Confident | 80.6 | Confident | 121 Ų | 121 | 120.5 Ų | 120.5 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | trans | -65.4 | 146.9 | 176.7 | -163.5 | -165.9 | 138.6 | 0 | 0 | 111.9 | K27 | E25-K27 PolarHBondContact O-N 2.97Å; E25-K27 VanDerWaalsContact O-N 3.14Å; E25-K27 IonicContact OE1-NZ 2.78Å; E25-K27 PolarHBondContact OE1-NZ 3.43Å; E25-K27 WeakPolarHBondContact OE2-CE 3.46Å; E25-K27 IonicContact OE2-NZ 2.71Å; E25-K27 PolarHBondContact OE2-NZ 2.74Å | ||
| 26 | N | 90.5 | Very high | 82.3 | Confident | 66 Ų | 66 | 121.2 Ų | 121.2 | 35% | 0.353 | 61% | 0.612 | S | S | . | * | trans | -70 | 109 | 176 | -165.4 | -6.4 | 0 | 0 | 0 | 111.8 | R22 V28 | R22-N26 PolarHBondContact NH1-ND2 3.18Å; N26-V28 WeakPolarHBondContact OD1-CB 3.42Å; N26-V28 WeakPolarHBondContact OD1-CG2 3.34Å; N26-V28 PolarHBondContact OD1-N 3.46Å | ||
| 27 | K | 94.4 | Very high | 84 | Confident | 99 Ų | 99 | 118.5 Ų | 118.5 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | trans | -97.3 | 2.4 | 174.6 | -60.1 | -56.6 | -174.8 | -170.9 | 0 | 114.7 | E25 H30 K31 | E25-K27 PolarHBondContact O-N 2.97Å; E25-K27 VanDerWaalsContact O-N 3.14Å; E25-K27 IonicContact OE1-NZ 2.78Å; E25-K27 PolarHBondContact OE1-NZ 3.43Å; E25-K27 WeakPolarHBondContact OE2-CE 3.46Å; E25-K27 IonicContact OE2-NZ 2.71Å; E25-K27 PolarHBondContact OE2-NZ 2.74Å; K27-H30 PolarHBondContact O-N 2.85Å; K27-K31 PolarHBondContact O-N 3.37Å; K27-K31 VanDerWaalsContact O-N 3.07Å | ||
| 28 | V | 96.4 | Very high | 85.9 | Confident | 81 Ų | 81 | 121.3 Ų | 121.3 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.9 | -47.7 | -178.9 | 175.3 | 0 | 0 | 0 | 0 | 112.6 | N26 H30 K31 Q32 | N26-V28 WeakPolarHBondContact OD1-CB 3.42Å; N26-V28 WeakPolarHBondContact OD1-CG2 3.34Å; N26-V28 PolarHBondContact OD1-N 3.46Å; V28-H30 VanDerWaalsContact C-N 3.27Å; V28-H30 PolarHBondContact O-N 3.41Å; V28-K31 PolarHBondContact O-N 2.95Å; V28-K31 VanDerWaalsContact O-N 3.14Å; V28-Q32 HydrophobicContact CG1-CG 4.1Å; V28-Q32 WeakPolarHBondContact O-CG 3.27Å; V28-Q32 PolarHBondContact O-N 3.43Å |
| 29 | P | 97.1 | Very high | 87.5 | Confident | 68 Ų | 68 | 118.6 Ų | 118.6 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.8 | -36.1 | 179.8 | -24.4 | 35.5 | 0 | 0 | 0 | 113 | Q32 K33 | P29-Q32 PolarHBondContact O-N 2.93Å; P29-K33 PolarHBondContact O-N 2.84Å |
| 30 | H | 96.4 | Very high | 89.5 | Confident | 114 Ų | 114 | 116.4 Ų | 116.4 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -42.2 | 176.6 | -63.5 | -75 | 0 | 0 | 0 | 112 | K27 V28 K33 H34 | K27-H30 PolarHBondContact O-N 2.85Å; V28-H30 VanDerWaalsContact C-N 3.27Å; V28-H30 PolarHBondContact O-N 3.41Å; H30-K33 PolarHBondContact O-N 2.97Å; H30-H34 PolarHBondContact O-N 3.37Å; H30-H34 VanDerWaalsContact O-N 3.1Å |
| 31 | K | 96.8 | Very high | 91.1 | Very high | 128 Ų | 128 | 116.2 Ų | 116.2 | 56% | 0.557 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -40.6 | 176.1 | -67.6 | -66.4 | -174.5 | 177 | 0 | 111.6 | K27 V28 K33 H34 F35 | K27-K31 PolarHBondContact O-N 3.37Å; K27-K31 VanDerWaalsContact O-N 3.07Å; V28-K31 PolarHBondContact O-N 2.95Å; V28-K31 VanDerWaalsContact O-N 3.14Å; K31-K33 PolarHBondContact O-N 2.94Å; K31-H34 PolarHBondContact O-N 3.22Å; K31-F35 HydrophobicContact CD-CE2 4.35Å; K31-F35 WeakPolarHBondContact O-CD2 3.41Å; K31-F35 PolarHBondContact O-N 2.88Å |
| 32 | Q | 98.3 | Very high | 92.9 | Very high | 99 Ų | 99 | 107.8 Ų | 107.8 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 173.6 | -75.3 | 174.6 | -33.7 | 0 | 0 | 111.1 | V28 P29 H34 F35 Q36 | V28-Q32 HydrophobicContact CG1-CG 4.1Å; V28-Q32 WeakPolarHBondContact O-CG 3.27Å; V28-Q32 PolarHBondContact O-N 3.43Å; P29-Q32 PolarHBondContact O-N 2.93Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3.05Å; Q32-F35 PolarHBondContact O-N 3.48Å; Q32-Q36 WeakPolarHBondContact O-CB 3.32Å; Q32-Q36 WeakPolarHBondContact O-CG 3.45Å; Q32-Q36 PolarHBondContact O-N 3.43Å |
| 33 | K | 97.9 | Very high | 94.6 | Very high | 171 Ų | 171 | 105.4 Ų | 105.4 | 74% | 0.743 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.3 | -44.5 | 176.4 | -174.9 | 177.4 | 179.4 | -179.3 | 0 | 112.3 | P29 H30 K31 E37 | P29-K33 PolarHBondContact O-N 2.84Å; H30-K33 PolarHBondContact O-N 2.97Å; K31-K33 PolarHBondContact O-N 2.94Å; K33-E37 PolarHBondContact O-N 2.92Å |
| 34 | H | 97.5 | Very high | 95.8 | Very high | 77 Ų | 77 | 101 Ų | 101 | 36% | 0.356 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -49.5 | -179.7 | -178.8 | 59.3 | 0 | 0 | 0 | 112.8 | H30 K31 Q32 Q36 E37 K46 | H30-H34 PolarHBondContact O-N 3.37Å; H30-H34 VanDerWaalsContact O-N 3.1Å; K31-H34 PolarHBondContact O-N 3.22Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3.05Å; H34-Q36 VanDerWaalsContact C-N 3.31Å; H34-Q36 PolarHBondContact O-N 3.34Å; H34-E37 WeakPolarHBondContact O-CB 3.2Å; H34-E37 PolarHBondContact O-N 3.49Å; H34-K46 PolarHBondContact NE2-O 3.42Å |
| 35 | F | 97.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 98 Ų | 98 | 34% | 0.342 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.8 | -17.9 | -178.1 | -77.7 | -77.1 | 0 | 0 | 0 | 113.8 | K31 Q32 I43 K46 | K31-F35 HydrophobicContact CD-CE2 4.35Å; K31-F35 WeakPolarHBondContact O-CD2 3.41Å; K31-F35 PolarHBondContact O-N 2.88Å; Q32-F35 PolarHBondContact O-N 3.48Å; F35-I43 HydrophobicContact CD1-CD1 4.02Å; F35-K46 HydrophobicContact CD1-CB 3.89Å; F35-K46 HydrophobicContact CD1-CG 3.96Å; F35-K46 HydrophobicContact CE1-CB 4.1Å; F35-K46 VanDerWaalsContact O-CD 3.26Å; F35-K46 WeakPolarHBondContact O-CD 3.46Å; F35-K46 WeakPolarHBondContact O-CE 3.21Å; F35-K46 PolarHBondContact O-NZ 2.91Å |
| 36 | Q | 98.3 | Very high | 97 | Very high | 144 Ų | 144 | 93.7 Ų | 93.7 | 67% | 0.673 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2 | 175.6 | -62.7 | 174 | 14.5 | 0 | 0 | 113.4 | Q32 H34 D38 | Q32-Q36 WeakPolarHBondContact O-CB 3.32Å; Q32-Q36 WeakPolarHBondContact O-CG 3.45Å; Q32-Q36 PolarHBondContact O-N 3.43Å; H34-Q36 VanDerWaalsContact C-N 3.31Å; H34-Q36 PolarHBondContact O-N 3.34Å; Q36-D38 PolarHBondContact O-N 3.34Å |
| 37 | E | 97.3 | Very high | 97.2 | Very high | 107 Ų | 107 | 91.7 Ų | 91.7 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | trans | -57.2 | 129.7 | 173.3 | -174.5 | 174.9 | -153.7 | 0 | 0 | 110.5 | K33 H34 N39 K46 | K33-E37 PolarHBondContact O-N 2.92Å; H34-E37 WeakPolarHBondContact O-CB 3.2Å; H34-E37 PolarHBondContact O-N 3.49Å; E37-N39 VanDerWaalsContact C-N 3.26Å; E37-N39 HydrophobicContact CG-CB 4.24Å; E37-N39 PolarHBondContact O-N 2.91Å; E37-N39 PolarHBondContact O-OD1 3.43Å; E37-N39 PolarHBondContact OE2-ND2 2.98Å; E37-K46 VanDerWaalsContact O-CE 3.27Å; E37-K46 WeakPolarHBondContact O-CE 3.27Å; E37-K46 PolarHBondContact O-NZ 2.95Å | ||
| 38 | D | 97.3 | Very high | 97.4 | Very high | 161 Ų | 161 | 88.6 Ų | 88.6 | 86% | 0.861 | 47% | 0.471 | S | S | * | . | trans | -84.5 | 69.7 | -177.5 | -168.9 | 19.1 | 0 | 0 | 0 | 111.1 | Q36 | Q36-D38 PolarHBondContact O-N 3.34Š| ||
| 39 | N | 96.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 90 Ų | 90 | 33% | 0.326 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -109.1 | 6.6 | -177.3 | 56.2 | 18.1 | 0 | 0 | 0 | 113.1 | E37 I41 K46 | E37-N39 VanDerWaalsContact C-N 3.26Å; E37-N39 HydrophobicContact CG-CB 4.24Å; E37-N39 PolarHBondContact O-N 2.91Å; E37-N39 PolarHBondContact O-OD1 3.43Å; E37-N39 PolarHBondContact OE2-ND2 2.98Å; N39-I41 HydrophobicContact CB-CD1 4.37Å; N39-I41 HydrophobicContact CB-CG1 4.27Å; N39-I41 PolarHBondContact O-N 3.34Å; N39-I41 VanDerWaalsContact O-N 3.09Å; N39-I41 WeakPolarHBondContact OD1-CB 3.42Å; N39-I41 WeakPolarHBondContact OD1-CG1 3.38Å; N39-I41 PolarHBondContact OD1-N 2.72Å; N39-K46 WeakPolarHBondContact OD1-CE 3.45Å |
| 40 | G | 97.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 90.4 Ų | 90.4 | 74% | 0.742 | 48% | 0.484 | S | S | * | . | trans | 66.4 | 4.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 41 | I | 97.5 | Very high | 97.6 | Very high | 71 Ų | 71 | 87 Ų | 87 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -74.7 | 130.8 | -179.6 | -57.7 | 177.2 | 0 | 0 | 0 | 109.2 | N39 L45 K46 | N39-I41 HydrophobicContact CB-CD1 4.37Å; N39-I41 HydrophobicContact CB-CG1 4.27Å; N39-I41 PolarHBondContact O-N 3.34Å; N39-I41 VanDerWaalsContact O-N 3.09Å; N39-I41 WeakPolarHBondContact OD1-CB 3.42Å; N39-I41 WeakPolarHBondContact OD1-CG1 3.38Å; N39-I41 PolarHBondContact OD1-N 2.72Å; I41-L45 HydrophobicContact CG2-CB 3.89Å; I41-K46 HydrophobicContact CG2-CB 4.35Å | ||
| 42 | P | 97.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 82.4 Ų | 82.4 | 40% | 0.403 | 46% | 0.456 | S | S | . | . | trans | -65 | 148.6 | 177 | 28.4 | -36.1 | 0 | 0 | 0 | 111.3 | H44 L45 K46 | P42-H44 PolarHBondContact O-N 3.31Å; P42-L45 HydrophobicContact CG-CB 4.3Å; P42-L45 HydrophobicContact CG-CD1 4.03Å; P42-L45 HydrophobicContact CG-CG 4.28Å; P42-L45 PolarHBondContact O-N 3.09Å; P42-K46 PolarHBondContact O-N 3.23Å | ||
| 43 | I | 97.6 | Very high | 97.7 | Very high | 124 Ų | 124 | 83 Ų | 83 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -55.5 | -32.9 | -171.2 | -171.2 | 59 | 0 | 0 | 0 | 114.2 | F35 L45 K46 | F35-I43 HydrophobicContact CD1-CD1 4.02Å; I43-L45 VanDerWaalsContact C-N 3.27Å; I43-L45 PolarHBondContact O-N 3.22Å; I43-K46 HydrophobicContact CD1-CB 4.45Å; I43-K46 PolarHBondContact O-N 3.18Å |
| 44 | H | 97.4 | Very high | 97.7 | Very high | 108 Ų | 108 | 80.4 Ų | 80.4 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -78.1 | -4.8 | -179.5 | 65.3 | -93.8 | 0 | 0 | 0 | 114.4 | P42 D51 | P42-H44 PolarHBondContact O-N 3.31Å; H44-D51 WeakPolarHBondContact O-CB 3.16Å |
| 45 | L | 98.2 | Very high | 97.8 | Very high | 47 Ų | 47 | 82.1 Ų | 82.1 | 25% | 0.246 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -118.3 | 0.6 | 171.6 | -62.5 | 178 | 0 | 0 | 0 | 112.1 | I41 P42 I43 G47 G48 D51 A52 Y55 | I41-L45 HydrophobicContact CG2-CB 3.89Å; P42-L45 HydrophobicContact CG-CB 4.3Å; P42-L45 HydrophobicContact CG-CD1 4.03Å; P42-L45 HydrophobicContact CG-CG 4.28Å; P42-L45 PolarHBondContact O-N 3.09Å; I43-L45 VanDerWaalsContact C-N 3.27Å; I43-L45 PolarHBondContact O-N 3.22Å; L45-G47 VanDerWaalsContact C-N 3.27Å; L45-G47 PolarHBondContact O-N 2.93Å; L45-G48 PolarHBondContact O-N 3.38Å; L45-D51 HydrophobicContact CD2-CB 4.39Å; L45-A52 HydrophobicContact CD2-CB 4.43Å; L45-Y55 HydrophobicContact CD2-CG 4.37Å |
| 46 | K | 98.1 | Very high | 97.8 | Very high | 29 Ų | 29 | 87.2 Ų | 87.2 | 13% | 0.126 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.8 | -166.9 | -161.1 | 153.4 | -166.9 | 178.9 | 0 | 113.6 | H34 F35 E37 N39 I41 P42 I43 | H34-K46 PolarHBondContact NE2-O 3.42Å; F35-K46 HydrophobicContact CD1-CB 3.89Å; F35-K46 HydrophobicContact CD1-CG 3.96Å; F35-K46 HydrophobicContact CE1-CB 4.1Å; F35-K46 VanDerWaalsContact O-CD 3.26Å; F35-K46 WeakPolarHBondContact O-CD 3.46Å; F35-K46 WeakPolarHBondContact O-CE 3.21Å; F35-K46 PolarHBondContact O-NZ 2.91Å; E37-K46 VanDerWaalsContact O-CE 3.27Å; E37-K46 WeakPolarHBondContact O-CE 3.27Å; E37-K46 PolarHBondContact O-NZ 2.95Å; N39-K46 WeakPolarHBondContact OD1-CE 3.45Å; I41-K46 HydrophobicContact CG2-CB 4.35Å; P42-K46 PolarHBondContact O-N 3.23Å; I43-K46 HydrophobicContact CD1-CB 4.45Å; I43-K46 PolarHBondContact O-N 3.18Å |
| 47 | G | 96.5 | Very high | 97.8 | Very high | 24 Ų | 24 | 83 Ų | 83 | 25% | 0.247 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L45 D51 | L45-G47 VanDerWaalsContact C-N 3.27Å; L45-G47 PolarHBondContact O-N 2.93Å; G47-D51 WeakPolarHBondContact CA-OD2 3.24Å; G47-D51 PolarHBondContact N-OD2 2.76Å |
| 48 | G | 97 | Very high | 97.9 | Very high | 34 Ų | 34 | 81.3 Ų | 81.3 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | trans | 97.9 | -139.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L45 S50 D51 A52 | L45-G48 PolarHBondContact O-N 3.38Å; G48-S50 VanDerWaalsContact C-N 3.32Å; G48-S50 PolarHBondContact O-N 3.27Å; G48-D51 WeakPolarHBondContact O-CB 3Å; G48-D51 PolarHBondContact O-N 3.35Å; G48-D51 VanDerWaalsContact O-N 3.16Å; G48-A52 PolarHBondContact O-N 2.84Å | ||
| 49 | V | 97.7 | Very high | 98 | Very high | 112 Ų | 112 | 77.5 Ų | 77.5 | 68% | 0.679 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.2 | -36.1 | -168.8 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | D51 A52 I53 | V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 3.03Å; V49-A52 PolarHBondContact O-N 3.39Å; V49-I53 HydrophobicContact CG1-CD1 3.83Å; V49-I53 HydrophobicContact CG1-CG1 4.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.26Å; V49-I53 PolarHBondContact O-N 3.32Å |
| 50 | S | 98.1 | Very high | 98.1 | Very high | 75 Ų | 75 | 77 Ų | 77 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 176.3 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | G48 I53 L54 | G48-S50 VanDerWaalsContact C-N 3.32Å; G48-S50 PolarHBondContact O-N 3.27Å; S50-I53 PolarHBondContact O-N 3.3Å; S50-L54 WeakPolarHBondContact O-CB 3.2Å; S50-L54 PolarHBondContact O-N 3.2Å |
| 51 | D | 98.5 | Very high | 98.1 | Very high | 42 Ų | 42 | 79.6 Ų | 79.6 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.4 | -41.4 | -178.1 | -62.9 | 5.4 | 0 | 0 | 0 | 110.2 | H44 L45 G47 G48 V49 L54 Y55 | H44-D51 WeakPolarHBondContact O-CB 3.16Å; L45-D51 HydrophobicContact CD2-CB 4.39Å; G47-D51 WeakPolarHBondContact CA-OD2 3.24Å; G47-D51 PolarHBondContact N-OD2 2.76Å; G48-D51 WeakPolarHBondContact O-CB 3Å; G48-D51 PolarHBondContact O-N 3.35Å; G48-D51 VanDerWaalsContact O-N 3.16Å; V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 3.03Å; D51-L54 PolarHBondContact O-N 3.05Å; D51-Y55 WeakPolarHBondContact O-CB 3.34Å; D51-Y55 PolarHBondContact O-N 3.44Å |
| 52 | A | 98.2 | Very high | 98.2 | Very high | 32 Ų | 32 | 79.8 Ų | 79.8 | 26% | 0.264 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L45 G48 V49 R56 | L45-A52 HydrophobicContact CD2-CB 4.43Å; G48-A52 PolarHBondContact O-N 2.84Å; V49-A52 PolarHBondContact O-N 3.39Å; A52-R56 WeakPolarHBondContact O-CB 3.1Å; A52-R56 VanDerWaalsContact O-CG 3.24Å; A52-R56 WeakPolarHBondContact O-CG 3.37Å; A52-R56 PolarHBondContact O-N 2.96Å |
| 53 | I | 98.7 | Very high | 98.3 | Very high | 112 Ų | 112 | 81.8 Ų | 81.8 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.7 | -48.9 | 175.6 | -68.9 | 169.7 | 0 | 0 | 0 | 109.7 | V49 S50 Y55 R56 A57 | V49-I53 HydrophobicContact CG1-CD1 3.83Å; V49-I53 HydrophobicContact CG1-CG1 4.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.26Å; V49-I53 PolarHBondContact O-N 3.32Å; S50-I53 PolarHBondContact O-N 3.3Å; I53-Y55 PolarHBondContact O-N 3.32Å; I53-R56 PolarHBondContact O-N 3.33Å; I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.99Å |
| 54 | L | 98.8 | Very high | 98.3 | Very high | 117 Ų | 117 | 81.7 Ų | 81.7 | 61% | 0.613 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.5 | -47.4 | -179.3 | -175.3 | 60.3 | 0 | 0 | 0 | 111 | S50 D51 R56 A57 T58 | S50-L54 WeakPolarHBondContact O-CB 3.2Å; S50-L54 PolarHBondContact O-N 3.2Å; D51-L54 PolarHBondContact O-N 3.05Å; L54-R56 PolarHBondContact O-N 3.47Å; L54-A57 PolarHBondContact O-N 3.07Å; L54-T58 PolarHBondContact O-N 3.31Å; L54-T58 PolarHBondContact O-OG1 3.4Å |
| 55 | Y | 98.6 | Very high | 98.4 | Very high | 112 Ų | 112 | 78.1 Ų | 78.1 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.4 | -49.5 | 176.7 | 174.2 | -100.1 | 0 | 0 | 0 | 112.4 | L45 D51 I53 A57 T58 M59 | L45-Y55 HydrophobicContact CD2-CG 4.37Å; D51-Y55 WeakPolarHBondContact O-CB 3.34Å; D51-Y55 PolarHBondContact O-N 3.44Å; I53-Y55 PolarHBondContact O-N 3.32Å; Y55-A57 PolarHBondContact O-N 2.94Å; Y55-T58 PolarHBondContact O-N 3.27Å; Y55-M59 HydrophobicContact CD1-SD 4.16Å; Y55-M59 HydrophobicContact CE1-CG 4.25Å; Y55-M59 HydrophobicContact CE1-SD 3.27Å; Y55-M59 WeakPolarHBondContact CE1-SD 3.38Å; Y55-M59 HydrophobicContact CE2-CG 4.4Å; Y55-M59 HydrophobicContact CE2-SD 4.19Å; Y55-M59 PolarHBondContact O-N 3.24Å; Y55-M59 PolarHBondContact OH-SD 3.44Å |
| 56 | R | 98.6 | Very high | 98.4 | Very high | 185 Ų | 185 | 79.3 Ų | 79.3 | 70% | 0.698 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | -179.6 | -72.1 | 172.9 | -177.5 | -124.2 | 1.5 | 112.1 | A52 I53 L54 M59 A60 | A52-R56 WeakPolarHBondContact O-CB 3.1Å; A52-R56 VanDerWaalsContact O-CG 3.24Å; A52-R56 WeakPolarHBondContact O-CG 3.37Å; A52-R56 PolarHBondContact O-N 2.96Å; I53-R56 PolarHBondContact O-N 3.33Å; L54-R56 PolarHBondContact O-N 3.47Å; R56-M59 PolarHBondContact O-N 3.25Å; R56-A60 WeakPolarHBondContact O-CB 3.47Å; R56-A60 PolarHBondContact O-N 3.37Å |
| 57 | A | 98.8 | Very high | 98.4 | Very high | 55 Ų | 55 | 80.6 Ų | 80.6 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I53 L54 Y55 A60 L61 | I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.99Å; L54-A57 PolarHBondContact O-N 3.07Å; Y55-A57 PolarHBondContact O-N 2.94Å; A57-A60 PolarHBondContact O-N 3.32Å; A57-L61 WeakPolarHBondContact O-CB 3.37Å; A57-L61 PolarHBondContact O-N 3.16Å |
| 58 | T | 98.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 86.1 Ų | 86.1 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | L54 Y55 L61 T62 | L54-T58 PolarHBondContact O-N 3.31Å; L54-T58 PolarHBondContact O-OG1 3.4Å; Y55-T58 PolarHBondContact O-N 3.27Å; T58-L61 PolarHBondContact O-N 3.41Å; T58-T62 HydrophobicContact CG2-CG2 4.42Å; T58-T62 WeakPolarHBondContact O-CB 3.36Å; T58-T62 WeakPolarHBondContact O-CG2 3.41Å; T58-T62 PolarHBondContact O-N 2.97Å; T58-T62 PolarHBondContact O-OG1 3.48Å |
| 59 | M | 98.8 | Very high | 98.6 | Very high | 81 Ų | 81 | 89 Ų | 89 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 173.2 | -95.4 | -174.4 | 69.7 | 0 | 0 | 112 | Y55 R56 L61 T62 I63 | Y55-M59 HydrophobicContact CD1-SD 4.16Å; Y55-M59 HydrophobicContact CE1-CG 4.25Å; Y55-M59 HydrophobicContact CE1-SD 3.27Å; Y55-M59 WeakPolarHBondContact CE1-SD 3.38Å; Y55-M59 HydrophobicContact CE2-CG 4.4Å; Y55-M59 HydrophobicContact CE2-SD 4.19Å; Y55-M59 PolarHBondContact O-N 3.24Å; Y55-M59 PolarHBondContact OH-SD 3.44Å; R56-M59 PolarHBondContact O-N 3.25Å; M59-L61 PolarHBondContact O-N 3.1Å; M59-T62 WeakPolarHBondContact CA-OG1 3.43Å; M59-T62 PolarHBondContact O-N 2.98Å; M59-T62 PolarHBondContact O-OG1 2.92Å; M59-I63 HydrophobicContact CE-CD1 4.25Å; M59-I63 WeakPolarHBondContact O-CB 3.49Å; M59-I63 VanDerWaalsContact O-CG1 3.26Å; M59-I63 WeakPolarHBondContact O-CG1 3.36Å; M59-I63 PolarHBondContact O-N 2.84Å |
| 60 | A | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 88.8 Ų | 88.8 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R56 A57 T62 I63 L64 | R56-A60 WeakPolarHBondContact O-CB 3.47Å; R56-A60 PolarHBondContact O-N 3.37Å; A57-A60 PolarHBondContact O-N 3.32Å; A60-T62 PolarHBondContact O-N 3.48Å; A60-I63 PolarHBondContact O-N 3.07Å; A60-L64 WeakPolarHBondContact O-CB 3.34Å; A60-L64 WeakPolarHBondContact O-CG 3.23Å; A60-L64 PolarHBondContact O-N 3.14Å |
| 61 | L | 98.8 | Very high | 98.7 | Very high | 128 Ų | 128 | 92 Ų | 92 | 67% | 0.67 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 178.9 | -178.6 | 63.2 | 0 | 0 | 0 | 112.2 | A57 T58 M59 G65 | A57-L61 WeakPolarHBondContact O-CB 3.37Å; A57-L61 PolarHBondContact O-N 3.16Å; T58-L61 PolarHBondContact O-N 3.41Å; M59-L61 PolarHBondContact O-N 3.1Å; L61-G65 PolarHBondContact O-N 3.02Å |
| 62 | T | 98.8 | Very high | 98.6 | Very high | 75 Ų | 75 | 93.7 Ų | 93.7 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | -179.2 | 48.4 | 0 | 0 | 0 | 0 | 112 | T58 M59 A60 G65 S66 | T58-T62 HydrophobicContact CG2-CG2 4.42Å; T58-T62 WeakPolarHBondContact O-CB 3.36Å; T58-T62 WeakPolarHBondContact O-CG2 3.41Å; T58-T62 PolarHBondContact O-N 2.97Å; T58-T62 PolarHBondContact O-OG1 3.48Å; M59-T62 WeakPolarHBondContact CA-OG1 3.43Å; M59-T62 PolarHBondContact O-N 2.98Å; M59-T62 PolarHBondContact O-OG1 2.92Å; A60-T62 PolarHBondContact O-N 3.48Å; T62-G65 PolarHBondContact O-N 3.47Å; T62-S66 WeakPolarHBondContact O-CB 3.36Å; T62-S66 PolarHBondContact O-N 3.08Å; T62-S66 PolarHBondContact O-OG 2.95Å |
| 63 | I | 98.8 | Very high | 98.6 | Very high | 103 Ų | 103 | 97.7 Ų | 97.7 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 176.4 | -67.8 | 166.7 | 0 | 0 | 0 | 110.7 | M59 A60 S66 A67 | M59-I63 HydrophobicContact CE-CD1 4.25Å; M59-I63 WeakPolarHBondContact O-CB 3.49Å; M59-I63 VanDerWaalsContact O-CG1 3.26Å; M59-I63 WeakPolarHBondContact O-CG1 3.36Å; M59-I63 PolarHBondContact O-N 2.84Å; A60-I63 PolarHBondContact O-N 3.07Å; I63-S66 PolarHBondContact O-N 3.46Å; I63-A67 WeakPolarHBondContact O-CB 3.45Å; I63-A67 PolarHBondContact O-N 3.37Å |
| 64 | L | 98.8 | Very high | 98.5 | Very high | 123 Ų | 123 | 96 Ų | 96 | 64% | 0.644 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 179 | -69.3 | 173.5 | 0 | 0 | 0 | 111.6 | A60 A67 Y68 | A60-L64 WeakPolarHBondContact O-CB 3.34Å; A60-L64 WeakPolarHBondContact O-CG 3.23Å; A60-L64 PolarHBondContact O-N 3.14Å; L64-A67 PolarHBondContact O-N 3.45Å; L64-Y68 WeakPolarHBondContact O-CB 3.38Å; L64-Y68 PolarHBondContact O-N 3.08Å |
| 65 | G | 98.8 | Very high | 98.4 | Very high | 32 Ų | 32 | 92.3 Ų | 92.3 | 33% | 0.33 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 T62 Y68 V69 | L61-G65 PolarHBondContact O-N 3.02Å; T62-G65 PolarHBondContact O-N 3.47Å; G65-Y68 PolarHBondContact O-N 2.94Å; G65-V69 WeakPolarHBondContact O-CG2 3.37Å; G65-V69 PolarHBondContact O-N 3.05Å |
| 66 | S | 98.8 | Very high | 98.2 | Very high | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.5 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | T62 I63 Y68 V69 I70 | T62-S66 WeakPolarHBondContact O-CB 3.36Å; T62-S66 PolarHBondContact O-N 3.08Å; T62-S66 PolarHBondContact O-OG 2.95Å; I63-S66 PolarHBondContact O-N 3.46Å; S66-Y68 VanDerWaalsContact C-N 3.32Å; S66-Y68 PolarHBondContact O-N 2.9Å; S66-V69 PolarHBondContact O-N 3.38Å; S66-I70 WeakPolarHBondContact O-CG1 3.47Å; S66-I70 PolarHBondContact O-N 3.34Å |
| 67 | A | 98.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 85.3 Ų | 85.3 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I63 L64 I70 Y71 | I63-A67 WeakPolarHBondContact O-CB 3.45Å; I63-A67 PolarHBondContact O-N 3.37Å; L64-A67 PolarHBondContact O-N 3.45Å; A67-I70 PolarHBondContact O-N 3.28Å; A67-Y71 PolarHBondContact O-N 3.39Å |
| 68 | Y | 98.7 | Very high | 97.9 | Very high | 139 Ų | 139 | 89.5 Ų | 89.5 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.2 | -176.7 | -112.4 | 0 | 0 | 0 | 112.3 | L64 G65 S66 I70 Y71 E72 | L64-Y68 WeakPolarHBondContact O-CB 3.38Å; L64-Y68 PolarHBondContact O-N 3.08Å; G65-Y68 PolarHBondContact O-N 2.94Å; S66-Y68 VanDerWaalsContact C-N 3.32Å; S66-Y68 PolarHBondContact O-N 2.9Å; Y68-I70 VanDerWaalsContact C-N 3.32Å; Y68-I70 PolarHBondContact O-N 3.39Å; Y68-Y71 HydrophobicContact CD2-CD1 4.44Å; Y68-Y71 HydrophobicContact CE2-CD1 4.3Å; Y68-Y71 WeakPolarHBondContact O-CB 3.36Å; Y68-Y71 PolarHBondContact O-N 3.03Å; Y68-E72 HydrophobicContact CD1-CG 4.41Å; Y68-E72 HydrophobicContact CE1-CG 3.89Å; Y68-E72 HydrophobicContact CE2-CG 3.96Å; Y68-E72 WeakPolarHBondContact CE2-OE1 3.29Å; Y68-E72 VanDerWaalsContact CZ-OE1 3.3Å; Y68-E72 PolarHBondContact O-N 2.99Å; Y68-E72 PolarHBondContact OH-OE1 2.96Å |
| 69 | V | 98.6 | Very high | 97.5 | Very high | 95 Ų | 95 | 92 Ų | 92 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 174.6 | 169 | 0 | 0 | 0 | 0 | 111.5 | G65 S66 Y71 E72 L73 | G65-V69 WeakPolarHBondContact O-CG2 3.37Å; G65-V69 PolarHBondContact O-N 3.05Å; S66-V69 PolarHBondContact O-N 3.38Å; V69-Y71 VanDerWaalsContact C-N 3.34Å; V69-E72 PolarHBondContact O-N 3.22Å; V69-L73 VanDerWaalsContact O-CB 3.25Å; V69-L73 WeakPolarHBondContact O-CB 3.17Å; V69-L73 PolarHBondContact O-N 3.27Å |
| 70 | I | 98.6 | Very high | 96.9 | Very high | 107 Ų | 107 | 96 Ų | 96 | 55% | 0.549 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.2 | -68.5 | 166.3 | 0 | 0 | 0 | 110.7 | S66 A67 Y68 L73 V74 | S66-I70 WeakPolarHBondContact O-CG1 3.47Å; S66-I70 PolarHBondContact O-N 3.34Å; A67-I70 PolarHBondContact O-N 3.28Å; Y68-I70 VanDerWaalsContact C-N 3.32Å; Y68-I70 PolarHBondContact O-N 3.39Å; I70-L73 PolarHBondContact O-N 2.9Å; I70-V74 WeakPolarHBondContact O-CG2 3.47Å; I70-V74 PolarHBondContact O-N 3.31Å |
| 71 | Y | 97.8 | Very high | 95.9 | Very high | 142 Ų | 142 | 103.6 Ų | 103.6 | 56% | 0.557 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.4 | -52.3 | 176.2 | 169.9 | -96.7 | 0 | 0 | 0 | 111.7 | A67 Y68 V69 L73 V74 C75 | A67-Y71 PolarHBondContact O-N 3.39Å; Y68-Y71 HydrophobicContact CD2-CD1 4.44Å; Y68-Y71 HydrophobicContact CE2-CD1 4.3Å; Y68-Y71 WeakPolarHBondContact O-CB 3.36Å; Y68-Y71 PolarHBondContact O-N 3.03Å; V69-Y71 VanDerWaalsContact C-N 3.34Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 3.23Å; Y71-V74 PolarHBondContact O-N 3.14Å; Y71-C75 VanDerWaalsContact CZ-SG 3.57Å; Y71-C75 PolarHBondContact O-N 2.68Å; Y71-C75 PolarHBondContact O-SG 3.45Å |
| 72 | E | 97.6 | Very high | 94.5 | Very high | 79 Ų | 79 | 107.2 Ų | 107.2 | 37% | 0.369 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.5 | -39.8 | 178.5 | -73.3 | -63.7 | 155.9 | 0 | 0 | 111.8 | Y68 V69 V74 C75 A76 | Y68-E72 HydrophobicContact CD1-CG 4.41Å; Y68-E72 HydrophobicContact CE1-CG 3.89Å; Y68-E72 HydrophobicContact CE2-CG 3.96Å; Y68-E72 WeakPolarHBondContact CE2-OE1 3.29Å; Y68-E72 VanDerWaalsContact CZ-OE1 3.3Å; Y68-E72 PolarHBondContact O-N 2.99Å; Y68-E72 PolarHBondContact OH-OE1 2.96Å; V69-E72 PolarHBondContact O-N 3.22Å; E72-V74 VanDerWaalsContact C-N 3.35Å; E72-V74 PolarHBondContact O-N 3.24Å; E72-C75 PolarHBondContact O-N 3.12Å; E72-A76 VanDerWaalsContact O-CB 3.3Å; E72-A76 WeakPolarHBondContact O-CB 3.31Å; E72-A76 PolarHBondContact O-N 3.05Å |
| 73 | L | 98.1 | Very high | 92.7 | Very high | 115 Ų | 115 | 116.1 Ų | 116.1 | 60% | 0.602 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.1 | -44.6 | 175.9 | -179.7 | 64 | 0 | 0 | 0 | 111.4 | V69 I70 Y71 A76 A77 | V69-L73 VanDerWaalsContact O-CB 3.25Å; V69-L73 WeakPolarHBondContact O-CB 3.17Å; V69-L73 PolarHBondContact O-N 3.27Å; I70-L73 PolarHBondContact O-N 2.9Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 3.23Å; L73-A76 PolarHBondContact O-N 2.71Å; L73-A77 VanDerWaalsContact O-CB 3.23Å; L73-A77 WeakPolarHBondContact O-CB 3.46Å; L73-A77 PolarHBondContact O-N 3.47Å |
| 74 | V | 97 | Very high | 92.4 | Very high | 77 Ų | 77 | 116.8 Ų | 116.8 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.3 | -45.8 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | I70 Y71 E72 A76 A77 F78 | I70-V74 WeakPolarHBondContact O-CG2 3.47Å; I70-V74 PolarHBondContact O-N 3.31Å; Y71-V74 PolarHBondContact O-N 3.14Å; E72-V74 VanDerWaalsContact C-N 3.35Å; E72-V74 PolarHBondContact O-N 3.24Å; V74-A76 PolarHBondContact O-N 2.78Å; V74-A77 PolarHBondContact O-N 2.93Å; V74-F78 HydrophobicContact CG1-CD2 4.11Å; V74-F78 HydrophobicContact CG1-CE2 4.22Å; V74-F78 WeakPolarHBondContact O-CD2 3.33Å; V74-F78 PolarHBondContact O-N 2.98Å |
| 75 | C | 95.5 | Very high | 92 | Very high | 40 Ų | 40 | 116.4 Ų | 116.4 | 27% | 0.27 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.7 | -29.7 | 177.4 | -72.7 | 0 | 0 | 0 | 0 | 113.5 | Y71 E72 | Y71-C75 VanDerWaalsContact CZ-SG 3.57Å; Y71-C75 PolarHBondContact O-N 2.68Å; Y71-C75 PolarHBondContact O-SG 3.45Å; E72-C75 PolarHBondContact O-N 3.12Å |
| 76 | A | 95.6 | Very high | 91.7 | Very high | 81 Ų | 81 | 121.1 Ų | 121.1 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.8 | -31.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E72 L73 V74 | E72-A76 VanDerWaalsContact O-CB 3.3Å; E72-A76 WeakPolarHBondContact O-CB 3.31Å; E72-A76 PolarHBondContact O-N 3.05Å; L73-A76 PolarHBondContact O-N 2.71Å; V74-A76 PolarHBondContact O-N 2.78Å |
| 77 | A | 96.7 | Very high | 91.2 | Very high | 69 Ų | 69 | 124 Ų | 124 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.7 | -27.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L73 V74 | L73-A77 VanDerWaalsContact O-CB 3.23Å; L73-A77 WeakPolarHBondContact O-CB 3.46Å; L73-A77 PolarHBondContact O-N 3.47Å; V74-A77 PolarHBondContact O-N 2.93Å |
| 78 | F | 93.9 | Very high | 90.8 | Very high | 143 Ų | 143 | 128.2 Ų | 128.2 | 63% | 0.627 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -106.9 | 141.4 | -178.9 | -65.2 | -75.7 | 0 | 0 | 0 | 112.3 | V74 K80 | V74-F78 HydrophobicContact CG1-CD2 4.11Å; V74-F78 HydrophobicContact CG1-CE2 4.22Å; V74-F78 WeakPolarHBondContact O-CD2 3.33Å; V74-F78 PolarHBondContact O-N 2.98Å; F78-K80 PolarHBondContact O-N 2.84Å |
| 79 | P | 91 | Very high | 90.3 | Very high | 124 Ų | 124 | 127.5 Ų | 127.5 | 81% | 0.805 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.1 | 178.2 | 26.4 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 80 | K | 84.6 | Confident | 89.7 | Confident | 166 Ų | 166 | 129.8 Ų | 129.8 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 133.3 | 173.1 | -60.3 | -177.1 | -178.5 | -177.4 | 0 | 108.3 | F78 K82 | F78-K80 PolarHBondContact O-N 2.84Å; K80-K82 PolarHBondContact O-N 3.08Å |
| 81 | K | 78.5 | Confident | 89 | Confident | 209 Ų | 209 | 131.5 Ų | 131.5 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.9 | 172 | -70.3 | -173.2 | 180 | -176.1 | 0 | 107.8 | ||
| 82 | K | 70.5 | Confident | 88.2 | Confident | 203 Ų | 203 | 130.7 Ų | 130.7 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 129.9 | 168.8 | -64.1 | -179.2 | -179.8 | -179 | 0 | 106.3 | K80 | K80-K82 PolarHBondContact O-N 3.08Š|
| 83 | E | 59.9 | Low | 87.4 | Confident | 262 Ų | 262 | 135.4 Ų | 135.4 | 100% | 1.224 | 70% | 0.704 | S | S | * | * | trans | -53.9 | 0 | 162.1 | -59.7 | -80 | 139.7 | 0 | 0 | 109.5 |
Retrieved 83 of 83 residues in 101.4 ms
(Link to these results)