| 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 | 39.6 | Very low | 43.4 | Very low | 238 Ų | 238 | 129.7 Ų | 129.7 | 100% | 1.172 | 87% | 0.865 | S | S | * | * | 0 | 126.7 | 0 | -71.9 | 154.2 | 68.2 | 0 | 0 | 107.7 | |||||
| 2 | S | 42.2 | Very low | 43.9 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | trans | 39.5 | 132.4 | 158.4 | -59.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3 | G | 43.1 | Very low | 44 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | cis | 116.2 | 133.2 | 21.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | A | 48 | Very low | 43.9 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 84% | 0.843 | 85% | 0.851 | S | S | * | * | trans | 76.2 | 112.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 5 | R | 45.4 | Very low | 43.8 | Very low | 250 Ų | 250 | 121.1 Ų | 121.1 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | 84.5 | 112.4 | 66.9 | 178.2 | 179.6 | 157 | -145.3 | -4.1 | 112.9 | |||||
| 6 | A | 36.7 | Very low | 44.1 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | -171.2 | 113.8 | 137.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | A | 41.7 | Very low | 44.3 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 84% | 0.842 | S | S | * | * | trans | -114.5 | 176.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 8 | P | 52.6 | Low | 44.5 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | cis | -131.4 | 169.6 | -8.2 | 33.3 | -13.3 | 0 | 0 | 0 | 113.2 | ||||
| 9 | G | 35.7 | Very low | 44.7 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -129.2 | 89.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 10 | A | 49 | Very low | 45.3 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -74.4 | 122.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 11 | T | 43.9 | Very low | 45.9 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -126.5 | 98.3 | 152.4 | 50.1 | 0 | 0 | 0 | 0 | 107.1 | N13 | T11-N13 PolarHBondContact O-N 3.46Š| ||
| 12 | G | 49.5 | Very low | 46.8 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -68.2 | 123.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | N | 44.9 | Very low | 48 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -113.8 | 93.8 | 147.2 | -87.5 | -0.8 | 0 | 0 | 0 | 106.1 | T11 A15 | T11-N13 PolarHBondContact O-N 3.46Å; N13-A15 PolarHBondContact O-N 2.81Å | ||
| 14 | G | 42.6 | Very low | 48.7 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -65.3 | 74.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V16 | G14-V16 VanDerWaalsContact C-N 3.35Å; G14-V16 PolarHBondContact O-N 2.87Å | ||
| 15 | A | 42.7 | Very low | 49.5 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | trans | -74.7 | 99.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | N13 R17 | N13-A15 PolarHBondContact O-N 2.81Å; A15-R17 PolarHBondContact O-N 2.9Å | ||
| 16 | V | 47.3 | Very low | 50.7 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -58.6 | 79.6 | 162.3 | -80 | 0 | 0 | 0 | 0 | 107.8 | G14 G18 | G14-V16 VanDerWaalsContact C-N 3.35Å; G14-V16 PolarHBondContact O-N 2.87Å; V16-G18 VanDerWaalsContact C-N 3.3Å; V16-G18 PolarHBondContact O-N 3.41Å | ||
| 17 | R | 48.8 | Very low | 52.2 | Low | 234 Ų | 234 | 119.8 Ų | 119.8 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -59.4 | 105.2 | 161 | -75.9 | -166.7 | -165.7 | -169.2 | 5.5 | 104.2 | A15 L19 | A15-R17 PolarHBondContact O-N 2.9Å; R17-L19 PolarHBondContact O-N 3.42Å | ||
| 18 | G | 48 | Very low | 53.6 | Low | 57 Ų | 57 | 118.7 Ų | 118.7 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | trans | -44.4 | 135.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | V16 R20 | V16-G18 VanDerWaalsContact C-N 3.3Å; V16-G18 PolarHBondContact O-N 3.41Å; G18-R20 VanDerWaalsContact C-N 3.27Å; G18-R20 PolarHBondContact O-N 2.69Å | ||
| 19 | L | 47.5 | Very low | 54.2 | Low | 168 Ų | 168 | 122.3 Ų | 122.3 | 88% | 0.88 | 75% | 0.747 | S | S | * | * | trans | -44.9 | 94 | 172.1 | -81.1 | 130 | 0 | 0 | 0 | 108.8 | R17 V21 | R17-L19 PolarHBondContact O-N 3.42Å; L19-V21 HydrophobicContact CB-CG2 4.31Å; L19-V21 PolarHBondContact O-N 3.25Å | ||
| 20 | R | 57.2 | Low | 55.5 | Low | 218 Ų | 218 | 122.8 Ų | 122.8 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | trans | -71.3 | 94.7 | 162.1 | -73.1 | -84.8 | 164.9 | 150.8 | -6.4 | 103.1 | G18 D22 | G18-R20 VanDerWaalsContact C-N 3.27Å; G18-R20 PolarHBondContact O-N 2.69Å; R20-D22 PolarHBondContact O-N 2.94Å | ||
| 21 | V | 58.4 | Low | 56 | Low | 90 Ų | 90 | 122.2 Ų | 122.2 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | trans | -72.3 | 81.8 | 171.2 | -174.5 | 0 | 0 | 0 | 0 | 105.4 | L19 G23 L24 | L19-V21 HydrophobicContact CB-CG2 4.31Å; L19-V21 PolarHBondContact O-N 3.25Å; V21-G23 PolarHBondContact O-N 2.72Å; V21-L24 HydrophobicContact CB-CD1 3.89Å; V21-L24 HydrophobicContact CG1-CD1 3.47Å; V21-L24 VanDerWaalsContact CG1-CD1 3.47Å; V21-L24 HydrophobicContact CG1-CG 3.97Å; V21-L24 HydrophobicContact CG2-CD1 4.49Å; V21-L24 PolarHBondContact O-N 3.34Å | ||
| 22 | D | 58.4 | Low | 56.8 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 83.5 | 179.3 | -67 | -37 | 0 | 0 | 0 | 108.4 | R20 | R20-D22 PolarHBondContact O-N 2.94Š|
| 23 | G | 65.9 | Low | 57.3 | Low | 75 Ų | 75 | 116 Ų | 116 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.1 | -11 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V21 | V21-G23 PolarHBondContact O-N 2.72Š|
| 24 | L | 58.3 | Low | 58.1 | Low | 126 Ų | 126 | 113.8 Ų | 113.8 | 66% | 0.66 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -88.8 | 139.7 | 172.7 | -78.5 | 159.9 | 0 | 0 | 0 | 110.7 | V21 | V21-L24 HydrophobicContact CB-CD1 3.89Å; V21-L24 HydrophobicContact CG1-CD1 3.47Å; V21-L24 VanDerWaalsContact CG1-CD1 3.47Å; V21-L24 HydrophobicContact CG1-CG 3.97Å; V21-L24 HydrophobicContact CG2-CD1 4.49Å; V21-L24 PolarHBondContact O-N 3.34Å |
| 25 | P | 65.8 | Low | 58.8 | Low | 105 Ų | 105 | 115.4 Ų | 115.4 | 68% | 0.682 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 140.3 | 173.7 | 25.5 | -33.1 | 0 | 0 | 0 | 109.2 | L27 | P25-L27 PolarHBondContact O-N 3Š|
| 26 | P | 69.9 | Low | 59.2 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 133.3 | -179.8 | 24.2 | -33.5 | 0 | 0 | 0 | 109.2 | ||
| 27 | L | 68.6 | Low | 59.3 | Low | 102 Ų | 102 | 115.2 Ų | 115.2 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 141.5 | 178.9 | -89.4 | 101.4 | 0 | 0 | 0 | 110 | P25 K29 L31 | P25-L27 PolarHBondContact O-N 3Å; L27-K29 PolarHBondContact O-N 3.28Å; L27-L31 HydrophobicContact CD2-CB 4.34Å |
| 28 | P | 69.9 | Low | 59.4 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 46% | 0.461 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -56 | 140 | 177.6 | 23.7 | -33.2 | 0 | 0 | 0 | 110.1 | S30 L31 S32 | P28-S30 PolarHBondContact O-N 3.41Å; P28-L31 HydrophobicContact CG-CB 4.36Å; P28-L31 HydrophobicContact CG-CD1 3.85Å; P28-L31 HydrophobicContact CG-CG 4.03Å; P28-L31 PolarHBondContact O-N 3.19Å; P28-S32 PolarHBondContact O-N 3.36Å |
| 29 | K | 65.9 | Low | 60 | Low | 199 Ų | 199 | 111.2 Ų | 111.2 | 87% | 0.865 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -55 | -27.1 | -176.5 | -62.8 | 170.7 | -175.1 | 166.4 | 0 | 112.5 | L27 L31 | L27-K29 PolarHBondContact O-N 3.28Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.45Å |
| 30 | S | 63.6 | Low | 60.4 | Low | 91 Ų | 91 | 105.3 Ų | 105.3 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63 | -33.6 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | P28 | P28-S30 PolarHBondContact O-N 3.41Å |
| 31 | L | 57.8 | Low | 60.5 | Low | 83 Ų | 83 | 99.2 Ų | 99.2 | 44% | 0.435 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -95.6 | -25.1 | -179 | -62 | -177.9 | 0 | 0 | 0 | 112.8 | L27 P28 K29 G33 L34 | L27-L31 HydrophobicContact CD2-CB 4.34Å; P28-L31 HydrophobicContact CG-CB 4.36Å; P28-L31 HydrophobicContact CG-CD1 3.85Å; P28-L31 HydrophobicContact CG-CG 4.03Å; P28-L31 PolarHBondContact O-N 3.19Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.45Å; L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.34Å; L31-L34 HydrophobicContact CD2-CD1 4.06Å; L31-L34 PolarHBondContact O-N 2.92Å |
| 32 | S | 62.7 | Low | 60.4 | Low | 40 Ų | 40 | 98.8 Ų | 98.8 | 28% | 0.28 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -56.5 | -43.6 | 172.8 | -82.6 | 0 | 0 | 0 | 0 | 111.4 | P28 L34 L35 H36 | P28-S32 PolarHBondContact O-N 3.36Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 2.95Å; S32-L35 PolarHBondContact O-N 2.92Å; S32-H36 VanDerWaalsContact C-ND1 3.33Å; S32-H36 PolarHBondContact O-CE1 3.39Å; S32-H36 VanDerWaalsContact O-CE1 3.27Å; S32-H36 PolarHBondContact O-N 3.48Å; S32-H36 PolarHBondContact O-ND1 3.16Å |
| 33 | G | 59.1 | Low | 60 | Low | 38 Ų | 38 | 95.2 Ų | 95.2 | 39% | 0.392 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61 | -29.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | L31 S37 | L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.34Å; G33-S37 WeakPolarHBondContact O-CB 3.29Å; G33-S37 PolarHBondContact O-N 2.92Å; G33-S37 VanDerWaalsContact O-N 3.15Å; G33-S37 PolarHBondContact O-OG 2.92Å |
| 34 | L | 61.4 | Low | 59.8 | Low | 117 Ų | 117 | 98 Ų | 98 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73 | -38.5 | -179.7 | -71.3 | 164.3 | 0 | 0 | 0 | 112 | L31 S32 S37 A38 | L31-L34 HydrophobicContact CD2-CD1 4.06Å; L31-L34 PolarHBondContact O-N 2.92Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 2.95Å; L34-S37 PolarHBondContact O-N 3.35Å; L34-A38 PolarHBondContact O-N 3.03Å |
| 35 | L | 57.5 | Low | 60.1 | Low | 112 Ų | 112 | 94.4 Ų | 94.4 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.6 | -35 | 178.5 | -65.1 | 169.7 | 0 | 0 | 0 | 111.9 | S32 S37 S39 | S32-L35 PolarHBondContact O-N 2.92Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S39 PolarHBondContact O-N 3.27Å |
| 36 | H | 51.4 | Low | 60.3 | Low | 131 Ų | 131 | 91.7 Ų | 91.7 | 61% | 0.606 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.8 | -27.9 | 172.8 | -56.9 | 112 | 0 | 0 | 0 | 112.4 | S32 G40 | S32-H36 VanDerWaalsContact C-ND1 3.33Å; S32-H36 PolarHBondContact O-CE1 3.39Å; S32-H36 VanDerWaalsContact O-CE1 3.27Å; S32-H36 PolarHBondContact O-N 3.48Å; S32-H36 PolarHBondContact O-ND1 3.16Å; H36-G40 PolarHBondContact O-N 2.64Å |
| 37 | S | 49.2 | Very low | 59.7 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 61% | 0.608 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75 | -27.2 | 178.2 | -61.5 | 0 | 0 | 0 | 0 | 113.8 | G33 L34 L35 | G33-S37 WeakPolarHBondContact O-CB 3.29Å; G33-S37 PolarHBondContact O-N 2.92Å; G33-S37 VanDerWaalsContact O-N 3.15Å; G33-S37 PolarHBondContact O-OG 2.92Å; L34-S37 PolarHBondContact O-N 3.35Å; L35-S37 VanDerWaalsContact C-N 3.3Å |
| 38 | A | 51.7 | Low | 60.3 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 78% | 0.777 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -90.4 | -23.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | L34 | L34-A38 PolarHBondContact O-N 3.03Å |
| 39 | S | 60.6 | Low | 60.7 | Low | 113 Ų | 113 | 100.1 Ų | 100.1 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -111.3 | -20.2 | -168.9 | -171.2 | 0 | 0 | 0 | 0 | 115.8 | L35 | L35-S39 PolarHBondContact O-N 3.27Å |
| 40 | G | 55.6 | Low | 61.5 | Low | 45 Ų | 45 | 94 Ų | 94 | 46% | 0.464 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -140 | 127.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H36 | H36-G40 PolarHBondContact O-N 2.64Š|
| 41 | G | 58.7 | Low | 62.5 | Low | 90 Ų | 90 | 95.7 Ų | 95.7 | 93% | 0.928 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -52.2 | 137.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 42 | G | 56.9 | Low | 63.9 | Low | 80 Ų | 80 | 98.8 Ų | 98.8 | 83% | 0.825 | 61% | 0.612 | S | S | * | * | trans | 167.8 | -19.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | S44 | G42-S44 PolarHBondContact O-N 3.3Š| ||
| 43 | A | 48.7 | Very low | 65 | Low | 79 Ų | 79 | 100.6 Ų | 100.6 | 65% | 0.653 | 62% | 0.618 | S | S | * | * | trans | -91.1 | 106 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | G45 | A43-G45 PolarHBondContact O-N 3.23Š| ||
| 44 | S | 62.3 | Low | 66 | Low | 133 Ų | 133 | 106.2 Ų | 106.2 | 93% | 0.93 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.5 | 106.1 | 171 | 172 | 0 | 0 | 0 | 0 | 111.5 | G42 | G42-S44 PolarHBondContact O-N 3.3Š|
| 45 | G | 64.4 | Low | 67 | Low | 50 Ų | 50 | 103.3 Ų | 103.3 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 123.7 | -0.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | A43 | A43-G45 PolarHBondContact O-N 3.23Š|
| 46 | G | 69.5 | Low | 68.2 | Low | 48 Ų | 48 | 103.6 Ų | 103.6 | 50% | 0.495 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -76 | 149.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R48 H49 | G46-R48 WeakPolarHBondContact O-CA 3.36Å; G46-R48 PolarHBondContact O-N 3.21Å; G46-H49 PolarHBondContact O-N 3.48Å; G46-H49 VanDerWaalsContact O-N 3.1Å |
| 47 | W | 59 | Low | 69.4 | Low | 204 Ų | 204 | 103.3 Ų | 103.3 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 16 | -48.4 | 173.3 | -62.9 | 105.1 | 0 | 0 | 0 | 120 | H49 L50 E51 | W47-H49 PolarHBondContact O-N 2.91Å; W47-L50 HydrophobicContact CE3-CD2 3.77Å; W47-L50 HydrophobicContact CZ3-CD2 3.69Å; W47-L50 CarbonylContact O-C 3.53Å; W47-L50 WeakPolarHBondContact O-CA 3.29Å; W47-L50 VanDerWaalsContact O-CB 3.31Å; W47-L50 WeakPolarHBondContact O-CB 3.44Å; W47-L50 PolarHBondContact O-N 3.28Å; W47-E51 PolarHBondContact O-N 3.38Å |
| 48 | R | 80.1 | Confident | 70.6 | Confident | 178 Ų | 178 | 102 Ų | 102 | 67% | 0.672 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -54.3 | -33.8 | 168.9 | -55.1 | -176.4 | -172.6 | -80.2 | 2.7 | 113.1 | G46 R52 | G46-R48 WeakPolarHBondContact O-CA 3.36Å; G46-R48 PolarHBondContact O-N 3.21Å; R48-R52 WeakPolarHBondContact O-CG 3.38Å; R48-R52 PolarHBondContact O-N 2.96Å; R48-R52 VanDerWaalsContact O-N 3.09Å |
| 49 | H | 79.3 | Confident | 71.8 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 42% | 0.417 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.3 | -39 | 172.9 | -178.1 | 66.5 | 0 | 0 | 0 | 111.7 | G46 W47 R52 L53 | G46-H49 PolarHBondContact O-N 3.48Å; G46-H49 VanDerWaalsContact O-N 3.1Å; W47-H49 PolarHBondContact O-N 2.91Å; H49-R52 PolarHBondContact O-N 3.42Å; H49-L53 WeakPolarHBondContact O-CG 3.44Å; H49-L53 PolarHBondContact O-N 3.27Å |
| 50 | L | 82.8 | Confident | 72.3 | Confident | 71 Ų | 71 | 105.5 Ų | 105.5 | 37% | 0.372 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -44.4 | 174.5 | -170.4 | 63.5 | 0 | 0 | 0 | 111.1 | W47 R52 L53 Y54 | W47-L50 HydrophobicContact CE3-CD2 3.77Å; W47-L50 HydrophobicContact CZ3-CD2 3.69Å; W47-L50 CarbonylContact O-C 3.53Å; W47-L50 WeakPolarHBondContact O-CA 3.29Å; W47-L50 VanDerWaalsContact O-CB 3.31Å; W47-L50 WeakPolarHBondContact O-CB 3.44Å; W47-L50 PolarHBondContact O-N 3.28Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 3.48Å; L50-L53 WeakPolarHBondContact O-CB 3.33Å; L50-L53 PolarHBondContact O-N 3.46Å; L50-L53 VanDerWaalsContact O-N 3.09Å; L50-Y54 HydrophobicContact CD1-CD2 4.01Å; L50-Y54 HydrophobicContact CD1-CE2 3.73Å; L50-Y54 HydrophobicContact CD2-CE2 4.31Å; L50-Y54 HydrophobicContact CG-CD2 3.86Å; L50-Y54 HydrophobicContact CG-CE2 3.79Å; L50-Y54 WeakPolarHBondContact O-CD2 3.47Å; L50-Y54 PolarHBondContact O-N 3.32Å |
| 51 | E | 82.9 | Confident | 73.1 | Confident | 127 Ų | 127 | 108.5 Ų | 108.5 | 59% | 0.593 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.5 | -43.1 | 172.4 | -75.8 | 171.9 | 169.4 | 0 | 0 | 111.9 | W47 Y54 A55 | W47-E51 PolarHBondContact O-N 3.38Å; E51-Y54 PolarHBondContact O-N 3.02Å; E51-A55 WeakPolarHBondContact O-CB 3.36Å; E51-A55 PolarHBondContact O-N 3.26Å |
| 52 | R | 87.9 | Confident | 73.8 | Confident | 148 Ų | 148 | 108.2 Ų | 108.2 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.4 | -41.5 | 174.1 | -76.5 | -174.6 | -66.9 | -96.7 | 5.5 | 112.2 | R48 H49 L50 A55 Q56 | R48-R52 WeakPolarHBondContact O-CG 3.38Å; R48-R52 PolarHBondContact O-N 2.96Å; R48-R52 VanDerWaalsContact O-N 3.09Å; H49-R52 PolarHBondContact O-N 3.42Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 3.48Å; R52-A55 PolarHBondContact O-N 3.49Å; R52-Q56 VanDerWaalsContact O-CB 3.28Å; R52-Q56 WeakPolarHBondContact O-CB 3.44Å; R52-Q56 PolarHBondContact O-N 2.87Å |
| 53 | L | 85.6 | Confident | 74.5 | Confident | 78 Ų | 78 | 110.5 Ų | 110.5 | 41% | 0.408 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -41.3 | 175.2 | -74.6 | 173.1 | 0 | 0 | 0 | 112.1 | H49 L50 Q56 K57 | H49-L53 WeakPolarHBondContact O-CG 3.44Å; H49-L53 PolarHBondContact O-N 3.27Å; L50-L53 WeakPolarHBondContact O-CB 3.33Å; L50-L53 PolarHBondContact O-N 3.46Å; L50-L53 VanDerWaalsContact O-N 3.09Å; L53-Q56 PolarHBondContact O-N 2.96Å; L53-K57 WeakPolarHBondContact O-CB 3.34Å; L53-K57 PolarHBondContact O-N 3.41Å |
| 54 | Y | 80.7 | Confident | 75.4 | Confident | 156 Ų | 156 | 112.8 Ų | 112.8 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.6 | -42.1 | 176.2 | -89.4 | -84.3 | 0 | 0 | 0 | 112.1 | L50 E51 Q56 K57 S58 | L50-Y54 HydrophobicContact CD1-CD2 4.01Å; L50-Y54 HydrophobicContact CD1-CE2 3.73Å; L50-Y54 HydrophobicContact CD2-CE2 4.31Å; L50-Y54 HydrophobicContact CG-CD2 3.86Å; L50-Y54 HydrophobicContact CG-CE2 3.79Å; L50-Y54 WeakPolarHBondContact O-CD2 3.47Å; L50-Y54 PolarHBondContact O-N 3.32Å; E51-Y54 PolarHBondContact O-N 3.02Å; Y54-Q56 VanDerWaalsContact C-N 3.3Å; Y54-Q56 PolarHBondContact O-N 3.04Å; Y54-K57 PolarHBondContact O-N 3.36Å; Y54-S58 PolarHBondContact O-N 3.45Å |
| 55 | A | 82.9 | Confident | 75.7 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E51 R52 S58 R59 | E51-A55 WeakPolarHBondContact O-CB 3.36Å; E51-A55 PolarHBondContact O-N 3.26Å; R52-A55 PolarHBondContact O-N 3.49Å; A55-S58 PolarHBondContact O-N 3.32Å; A55-R59 PolarHBondContact O-N 3.31Å |
| 56 | Q | 81.4 | Confident | 75.6 | Confident | 118 Ų | 118 | 117.4 Ų | 117.4 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67 | -42.5 | 174.1 | -177 | 177.6 | -18.6 | 0 | 0 | 111.7 | R52 L53 Y54 S58 R59 I60 | R52-Q56 VanDerWaalsContact O-CB 3.28Å; R52-Q56 WeakPolarHBondContact O-CB 3.44Å; R52-Q56 PolarHBondContact O-N 2.87Å; L53-Q56 PolarHBondContact O-N 2.96Å; Y54-Q56 VanDerWaalsContact C-N 3.3Å; Y54-Q56 PolarHBondContact O-N 3.04Å; Q56-S58 VanDerWaalsContact C-N 3.32Å; Q56-S58 PolarHBondContact O-N 3.29Å; Q56-R59 PolarHBondContact O-N 3.3Å; Q56-I60 HydrophobicContact CG-CD1 4.37Å; Q56-I60 WeakPolarHBondContact O-CG1 3.32Å; Q56-I60 PolarHBondContact O-N 3Å |
| 57 | K | 77 | Confident | 74.9 | Confident | 125 Ų | 125 | 117.8 Ų | 117.8 | 54% | 0.543 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -35.3 | 176.4 | -170.5 | 174.1 | -178.4 | -71.3 | 0 | 112.2 | L53 Y54 I60 Q61 | L53-K57 WeakPolarHBondContact O-CB 3.34Å; L53-K57 PolarHBondContact O-N 3.41Å; Y54-K57 PolarHBondContact O-N 3.36Å; K57-I60 PolarHBondContact O-N 2.74Å; K57-Q61 WeakPolarHBondContact O-CB 3.47Å; K57-Q61 PolarHBondContact O-N 3.05Å |
| 58 | S | 75.4 | Confident | 74.8 | Confident | 58 Ų | 58 | 111.6 Ų | 111.6 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.3 | -48 | 173.3 | -167.6 | 0 | 0 | 0 | 0 | 111 | Y54 A55 Q56 I60 Q61 D62 | Y54-S58 PolarHBondContact O-N 3.45Å; A55-S58 PolarHBondContact O-N 3.32Å; Q56-S58 VanDerWaalsContact C-N 3.32Å; Q56-S58 PolarHBondContact O-N 3.29Å; S58-I60 VanDerWaalsContact C-N 3.32Å; S58-I60 PolarHBondContact O-N 2.76Å; S58-Q61 PolarHBondContact O-N 3.15Å; S58-Q61 VanDerWaalsContact O-N 3.16Å; S58-D62 WeakPolarHBondContact O-CB 3.35Å; S58-D62 PolarHBondContact O-N 3.42Å; S58-D62 VanDerWaalsContact O-OD2 3.04Å; S58-D62 PolarHBondContact OG-OD2 3.14Å |
| 59 | R | 75.3 | Confident | 73.7 | Confident | 193 Ų | 193 | 107.5 Ų | 107.5 | 73% | 0.728 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.8 | -42.5 | 179.1 | -69.2 | -177.5 | -177.7 | -149.5 | 0 | 112.5 | A55 Q56 D62 E63 | A55-R59 PolarHBondContact O-N 3.31Å; Q56-R59 PolarHBondContact O-N 3.3Å; R59-D62 PolarHBondContact O-N 3Å; R59-E63 WeakPolarHBondContact O-CG 3.45Å; R59-E63 PolarHBondContact O-N 3.29Å |
| 60 | I | 71.1 | Confident | 72.5 | Confident | 88 Ų | 88 | 106.4 Ų | 106.4 | 45% | 0.451 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.5 | -40.4 | 178.4 | -63 | 166.9 | 0 | 0 | 0 | 110.6 | Q56 K57 S58 E63 L64 | Q56-I60 HydrophobicContact CG-CD1 4.37Å; Q56-I60 WeakPolarHBondContact O-CG1 3.32Å; Q56-I60 PolarHBondContact O-N 3Å; K57-I60 PolarHBondContact O-N 2.74Å; S58-I60 VanDerWaalsContact C-N 3.32Å; S58-I60 PolarHBondContact O-N 2.76Å; I60-E63 PolarHBondContact O-N 3.23Å; I60-L64 HydrophobicContact CG2-CD1 4.12Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.49Å; I60-L64 PolarHBondContact O-N 3.2Å |
| 61 | Q | 73.6 | Confident | 70.7 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.1 | -37.2 | 177.6 | -176 | 171.8 | -26.5 | 0 | 0 | 112.3 | K57 S58 L64 S65 | K57-Q61 WeakPolarHBondContact O-CB 3.47Å; K57-Q61 PolarHBondContact O-N 3.05Å; S58-Q61 PolarHBondContact O-N 3.15Å; S58-Q61 VanDerWaalsContact O-N 3.16Å; Q61-L64 PolarHBondContact O-N 3.44Å; Q61-S65 WeakPolarHBondContact O-CB 3.44Å; Q61-S65 PolarHBondContact O-N 3.39Å; Q61-S65 PolarHBondContact O-OG 3.45Å |
| 62 | D | 73.1 | Confident | 69 | Low | 83 Ų | 83 | 104.8 Ų | 104.8 | 44% | 0.444 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.2 | -38.9 | 175.5 | -67 | -35.4 | 0 | 0 | 0 | 111.3 | S58 R59 S65 R66 | S58-D62 WeakPolarHBondContact O-CB 3.35Å; S58-D62 PolarHBondContact O-N 3.42Å; S58-D62 VanDerWaalsContact O-OD2 3.04Å; S58-D62 PolarHBondContact OG-OD2 3.14Å; R59-D62 PolarHBondContact O-N 3Å; D62-S65 PolarHBondContact O-N 2.91Å; D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 PolarHBondContact O-N 3.13Å |
| 63 | E | 71.1 | Confident | 67.3 | Low | 129 Ų | 129 | 101.5 Ų | 101.5 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67 | -38.6 | 173.9 | -75.8 | -169.4 | 165 | 0 | 0 | 112.8 | R59 I60 R66 G67 | R59-E63 WeakPolarHBondContact O-CG 3.45Å; R59-E63 PolarHBondContact O-N 3.29Å; I60-E63 PolarHBondContact O-N 3.23Å; E63-R66 PolarHBondContact O-N 3.04Å; E63-G67 WeakPolarHBondContact O-CA 3.44Å; E63-G67 PolarHBondContact O-N 2.95Å |
| 64 | L | 68.1 | Low | 65.7 | Low | 127 Ų | 127 | 102.4 Ų | 102.4 | 67% | 0.665 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.4 | -39.7 | 173.5 | -72.9 | 164.6 | 0 | 0 | 0 | 112 | I60 Q61 R66 G67 G68 | I60-L64 HydrophobicContact CG2-CD1 4.12Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.49Å; I60-L64 PolarHBondContact O-N 3.2Å; Q61-L64 PolarHBondContact O-N 3.44Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.48Å; L64-G67 PolarHBondContact O-N 2.92Å; L64-G68 PolarHBondContact O-N 3.02Å |
| 65 | S | 69.3 | Low | 64 | Low | 90 Ų | 90 | 106.4 Ų | 106.4 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.1 | -29.7 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | Q61 D62 | Q61-S65 WeakPolarHBondContact O-CB 3.44Å; Q61-S65 PolarHBondContact O-N 3.39Å; Q61-S65 PolarHBondContact O-OG 3.45Å; D62-S65 PolarHBondContact O-N 2.91Å |
| 66 | R | 61.3 | Low | 62.5 | Low | 189 Ų | 189 | 108.9 Ų | 108.9 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -88.8 | -28.4 | 177.2 | -138.9 | 162.7 | 69 | -143.6 | 0.9 | 113.2 | D62 E63 L64 G68 | D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 PolarHBondContact O-N 3.13Å; E63-R66 PolarHBondContact O-N 3.04Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.48Å; R66-G68 VanDerWaalsContact C-N 3.34Å |
| 67 | G | 55.5 | Low | 61.2 | Low | 57 Ų | 57 | 108 Ų | 108 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80 | -9.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E63 L64 | E63-G67 WeakPolarHBondContact O-CA 3.44Å; E63-G67 PolarHBondContact O-N 2.95Å; L64-G67 PolarHBondContact O-N 2.92Å |
| 68 | G | 56.7 | Low | 60.2 | Low | 73 Ų | 73 | 106.4 Ų | 106.4 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -9.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L64 R66 | L64-G68 PolarHBondContact O-N 3.02Å; R66-G68 VanDerWaalsContact C-N 3.34Å |
| 69 | A | 56.9 | Low | 59.1 | Low | 93 Ų | 93 | 109.1 Ų | 109.1 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -105.1 | 4.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 70 | G | 54.4 | Low | 58 | Low | 66 Ų | 66 | 105.8 Ų | 105.8 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -163.4 | 113.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 71 | G | 44.3 | Very low | 57.4 | Low | 82 Ų | 82 | 106.1 Ų | 106.1 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | 110.8 | 92.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 72 | G | 48.4 | Very low | 56.7 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -67.6 | 153.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 73 | G | 52.3 | Low | 56.1 | Low | 80 Ų | 80 | 111.4 Ų | 111.4 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 73.8 | 95.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 74 | A | 51.4 | Low | 56 | Low | 96 Ų | 96 | 110.9 Ų | 110.9 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | 170.4 | 142.7 | 122.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 75 | R | 44.9 | Very low | 56.9 | Low | 241 Ų | 241 | 109.5 Ų | 109.5 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 95.5 | 62.5 | 167.9 | -51.4 | -170.6 | 170.8 | -170.1 | -3.9 | 116.8 | A77 | R75-A77 PolarHBondContact O-N 3.38Š| ||
| 76 | A | 51.8 | Low | 58 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | -51.4 | 121.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 77 | A | 53.1 | Low | 59.6 | Low | 101 Ų | 101 | 107.2 Ų | 107.2 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | 160.9 | 57 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R75 | R75-A77 PolarHBondContact O-N 3.38Š| ||
| 78 | A | 56.4 | Low | 61.4 | Low | 90 Ų | 90 | 107 Ų | 107 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -100.2 | 130.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||
| 79 | P | 51.8 | Low | 63.2 | Low | 115 Ų | 115 | 106 Ų | 106 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 142 | 178.2 | 25.3 | -33.2 | 0 | 0 | 0 | 109.3 | A81 | P79-A81 PolarHBondContact O-N 2.9Š|
| 80 | P | 53.7 | Low | 65.2 | Low | 123 Ų | 123 | 104.3 Ų | 104.3 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 117.2 | 175 | 25.1 | -32.5 | 0 | 0 | 0 | 107.4 | K82 | P80-K82 PolarHBondContact O-N 2.94Š|
| 81 | A | 57.3 | Low | 67.2 | Low | 95 Ų | 95 | 103.9 Ų | 103.9 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -52.1 | 114.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | P79 | P79-A81 PolarHBondContact O-N 2.9Š| ||
| 82 | K | 59.3 | Low | 69.7 | Low | 193 Ų | 193 | 105.1 Ų | 105.1 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 133.3 | 178.8 | -78.4 | 143 | 177.6 | 172.6 | 0 | 107.8 | P80 | P80-K82 PolarHBondContact O-N 2.94Š|
| 83 | P | 61.1 | Low | 72.1 | Confident | 111 Ų | 111 | 105.8 Ų | 105.8 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 142.5 | 173.6 | 24.3 | -32.7 | 0 | 0 | 0 | 108.1 | N85 | P83-N85 PolarHBondContact O-N 3.13Š|
| 84 | P | 68.7 | Low | 74.3 | Confident | 117 Ų | 117 | 109.8 Ų | 109.8 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 120.9 | -179.7 | 21 | -32.5 | 0 | 0 | 0 | 108.3 | L86 | P84-L86 PolarHBondContact O-N 3.45Å; P84-L86 VanDerWaalsContact O-N 3.07Å |
| 85 | N | 85.6 | Confident | 76.5 | Confident | 98 Ų | 98 | 112.1 Ų | 112.1 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 120.4 | -176.7 | -179.7 | -9.5 | 0 | 0 | 0 | 107.9 | P83 D87 A88 A89 | P83-N85 PolarHBondContact O-N 3.13Å; N85-D87 PolarHBondContact O-N 2.97Å; N85-D87 VanDerWaalsContact O-N 3.08Å; N85-D87 WeakPolarHBondContact OD1-CB 3.4Å; N85-D87 PolarHBondContact OD1-N 3.33Å; N85-D87 VanDerWaalsContact OD1-N 3.08Å; N85-A88 HydrophobicContact CB-CB 4.16Å; N85-A88 WeakPolarHBondContact O-CA 3.45Å; N85-A88 WeakPolarHBondContact O-CB 3.34Å; N85-A88 PolarHBondContact O-N 3.22Å; N85-A89 PolarHBondContact O-N 2.9Å; N85-A89 VanDerWaalsContact O-N 3.07Å |
| 86 | L | 93.9 | Very high | 79 | Confident | 125 Ų | 125 | 106.5 Ų | 106.5 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -49.4 | -37.6 | -179.5 | 176.3 | 65.9 | 0 | 0 | 0 | 111 | P84 A88 A89 L90 | P84-L86 PolarHBondContact O-N 3.45Å; P84-L86 VanDerWaalsContact O-N 3.07Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 3.35Å; L86-A89 PolarHBondContact O-N 3.48Å; L86-L90 HydrophobicContact CD1-CD1 4.41Å; L86-L90 HydrophobicContact CD1-CG 4.38Å; L86-L90 HydrophobicContact CG-CD1 4.01Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.45Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 2.78Å |
| 87 | D | 94.1 | Very high | 81.3 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 57% | 0.572 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.1 | -36.6 | 178 | -64.4 | -35 | 0 | 0 | 0 | 112.7 | N85 A91 | N85-D87 PolarHBondContact O-N 2.97Å; N85-D87 VanDerWaalsContact O-N 3.08Å; N85-D87 WeakPolarHBondContact OD1-CB 3.4Å; N85-D87 PolarHBondContact OD1-N 3.33Å; N85-D87 VanDerWaalsContact OD1-N 3.08Å; D87-A91 WeakPolarHBondContact O-CB 2.92Å; D87-A91 PolarHBondContact O-N 3.26Å |
| 88 | A | 94.3 | Very high | 83.4 | Confident | 53 Ų | 53 | 104.4 Ų | 104.4 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.3 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N85 L86 A91 L92 | N85-A88 HydrophobicContact CB-CB 4.16Å; N85-A88 WeakPolarHBondContact O-CA 3.45Å; N85-A88 WeakPolarHBondContact O-CB 3.34Å; N85-A88 PolarHBondContact O-N 3.22Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 3.35Å; A88-A91 PolarHBondContact O-N 3.1Å; A88-L92 WeakPolarHBondContact O-CG 3.07Å; A88-L92 PolarHBondContact O-N 2.8Å |
| 89 | A | 94.7 | Very high | 85.4 | Confident | 50 Ų | 50 | 101.7 Ų | 101.7 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N85 L86 L92 L93 | N85-A89 PolarHBondContact O-N 2.9Å; N85-A89 VanDerWaalsContact O-N 3.07Å; L86-A89 PolarHBondContact O-N 3.48Å; A89-L92 PolarHBondContact O-N 2.98Å; A89-L93 WeakPolarHBondContact O-CB 3.27Å; A89-L93 PolarHBondContact O-N 2.96Å |
| 90 | L | 97.2 | Very high | 87.7 | Confident | 59 Ų | 59 | 101.3 Ų | 101.3 | 31% | 0.309 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -39 | 174.3 | -74.5 | 171.5 | 0 | 0 | 0 | 112.1 | L86 L93 R94 | L86-L90 HydrophobicContact CD1-CD1 4.41Å; L86-L90 HydrophobicContact CD1-CG 4.38Å; L86-L90 HydrophobicContact CG-CD1 4.01Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.45Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 2.78Å; L90-L93 PolarHBondContact O-N 2.88Å; L90-R94 WeakPolarHBondContact O-CB 3.43Å; L90-R94 VanDerWaalsContact O-CG 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.43Å; L90-R94 PolarHBondContact O-N 3.31Å |
| 91 | A | 97 | Very high | 89.8 | Confident | 56 Ų | 56 | 103.1 Ų | 103.1 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | D87 A88 R94 K95 | D87-A91 WeakPolarHBondContact O-CB 2.92Å; D87-A91 PolarHBondContact O-N 3.26Å; A88-A91 PolarHBondContact O-N 3.1Å; A91-R94 PolarHBondContact O-N 2.61Å; A91-K95 PolarHBondContact O-N 3.26Å |
| 92 | L | 96.8 | Very high | 91.8 | Very high | 109 Ų | 109 | 104.9 Ų | 104.9 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61 | -48.4 | 174.3 | -73.5 | 172.7 | 0 | 0 | 0 | 111.2 | A88 A89 R94 K95 E96 | A88-L92 WeakPolarHBondContact O-CG 3.07Å; A88-L92 PolarHBondContact O-N 2.8Å; A89-L92 PolarHBondContact O-N 2.98Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 3.44Å; L92-K95 WeakPolarHBondContact O-CB 3.32Å; L92-K95 PolarHBondContact O-N 2.84Å; L92-K95 VanDerWaalsContact O-N 3.11Å; L92-E96 WeakPolarHBondContact O-CG 3.35Å; L92-E96 PolarHBondContact O-N 3.5Å |
| 93 | L | 98.1 | Very high | 93.6 | Very high | 96 Ų | 96 | 100.8 Ų | 100.8 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 178.4 | 178.8 | 63 | 0 | 0 | 0 | 111.8 | A89 L90 K95 E96 M97 | A89-L93 WeakPolarHBondContact O-CB 3.27Å; A89-L93 PolarHBondContact O-N 2.96Å; L90-L93 PolarHBondContact O-N 2.88Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.39Å; L93-E96 PolarHBondContact O-N 3.15Å; L93-M97 HydrophobicContact CD1-CG 4.05Å; L93-M97 HydrophobicContact CD1-SD 4.16Å; L93-M97 HydrophobicContact CG-CG 4.32Å; L93-M97 HydrophobicContact CG-SD 3.99Å; L93-M97 WeakPolarHBondContact O-CB 3.35Å; L93-M97 VanDerWaalsContact O-CG 3.25Å; L93-M97 WeakPolarHBondContact O-CG 3.46Å; L93-M97 PolarHBondContact O-N 3.37Å |
| 94 | R | 98.3 | Very high | 95.4 | Very high | 163 Ų | 163 | 99 Ų | 99 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 176.9 | -75 | 171.5 | -179.3 | 140.2 | 0 | 111.7 | L90 A91 L92 V98 | L90-R94 WeakPolarHBondContact O-CB 3.43Å; L90-R94 VanDerWaalsContact O-CG 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.43Å; L90-R94 PolarHBondContact O-N 3.31Å; A91-R94 PolarHBondContact O-N 2.61Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 3.44Å; R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.47Å; R94-V98 PolarHBondContact O-N 2.97Å; R94-V98 VanDerWaalsContact O-N 3.11Å |
| 95 | K | 98.2 | Very high | 96.9 | Very high | 146 Ų | 146 | 98.8 Ų | 98.8 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -50.3 | 176.7 | -178.2 | -172.7 | 173 | -170 | 0 | 111.4 | A91 L92 L93 M97 V98 G99 | A91-K95 PolarHBondContact O-N 3.26Å; L92-K95 WeakPolarHBondContact O-CB 3.32Å; L92-K95 PolarHBondContact O-N 2.84Å; L92-K95 VanDerWaalsContact O-N 3.11Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.39Å; K95-M97 PolarHBondContact O-N 3.44Å; K95-V98 PolarHBondContact O-N 3.3Å; K95-G99 PolarHBondContact O-N 3.38Å |
| 96 | E | 98.4 | Very high | 97.5 | Very high | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | -179.7 | -66 | -56.9 | 131.3 | 0 | 0 | 111.5 | L92 L93 V98 G99 L100 | L92-E96 WeakPolarHBondContact O-CG 3.35Å; L92-E96 PolarHBondContact O-N 3.5Å; L93-E96 PolarHBondContact O-N 3.15Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.47Å; E96-G99 PolarHBondContact O-N 3.31Å; E96-L100 WeakPolarHBondContact O-CB 3.49Å; E96-L100 PolarHBondContact O-N 2.97Å |
| 97 | M | 98.8 | Very high | 97.7 | Very high | 89 Ų | 89 | 94.7 Ų | 94.7 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 176.6 | -72.8 | -178.3 | 73.8 | 0 | 0 | 112.7 | L93 K95 R101 | L93-M97 HydrophobicContact CD1-CG 4.05Å; L93-M97 HydrophobicContact CD1-SD 4.16Å; L93-M97 HydrophobicContact CG-CG 4.32Å; L93-M97 HydrophobicContact CG-SD 3.99Å; L93-M97 WeakPolarHBondContact O-CB 3.35Å; L93-M97 VanDerWaalsContact O-CG 3.25Å; L93-M97 WeakPolarHBondContact O-CG 3.46Å; L93-M97 PolarHBondContact O-N 3.37Å; K95-M97 PolarHBondContact O-N 3.44Å; M97-R101 WeakPolarHBondContact O-CG 3.28Å; M97-R101 PolarHBondContact O-N 2.83Å |
| 98 | V | 98.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 94.4 Ų | 94.4 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | R94 K95 E96 L100 R101 Q102 | R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.47Å; R94-V98 PolarHBondContact O-N 2.97Å; R94-V98 VanDerWaalsContact O-N 3.11Å; K95-V98 PolarHBondContact O-N 3.3Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.47Å; V98-L100 PolarHBondContact O-N 3.48Å; V98-R101 PolarHBondContact O-N 2.85Å; V98-Q102 WeakPolarHBondContact O-CG 3.42Å; V98-Q102 PolarHBondContact O-N 2.92Å |
| 99 | G | 98.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 96 Ų | 96 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K95 E96 R101 Q102 L103 | K95-G99 PolarHBondContact O-N 3.38Å; E96-G99 PolarHBondContact O-N 3.31Å; G99-R101 PolarHBondContact O-N 3.09Å; G99-Q102 WeakPolarHBondContact O-CB 3.45Å; G99-Q102 PolarHBondContact O-N 3.33Å; G99-L103 PolarHBondContact O-N 3.09Å |
| 100 | L | 98.7 | Very high | 98.3 | Very high | 108 Ų | 108 | 99.4 Ų | 99.4 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 176.8 | -170.6 | 69.5 | 0 | 0 | 0 | 111.4 | E96 V98 Q102 L103 D104 | E96-L100 WeakPolarHBondContact O-CB 3.49Å; E96-L100 PolarHBondContact O-N 2.97Å; V98-L100 PolarHBondContact O-N 3.48Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.22Å; L100-L103 WeakPolarHBondContact O-CB 3.39Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-D104 PolarHBondContact O-N 3.31Å |
| 101 | R | 98.6 | Very high | 98.4 | Very high | 160 Ų | 160 | 101.1 Ų | 101.1 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -37.1 | 175.9 | -70.4 | 172.3 | -177.9 | -175.8 | 0.1 | 112.7 | M97 V98 G99 L103 D104 M105 | M97-R101 WeakPolarHBondContact O-CG 3.28Å; M97-R101 PolarHBondContact O-N 2.83Å; V98-R101 PolarHBondContact O-N 2.85Å; G99-R101 PolarHBondContact O-N 3.09Å; R101-L103 VanDerWaalsContact C-N 3.35Å; R101-D104 PolarHBondContact O-N 3.43Å; R101-M105 WeakPolarHBondContact O-CG 3.49Å; R101-M105 PolarHBondContact O-N 2.98Å |
| 102 | Q | 98.7 | Very high | 98.5 | Very high | 132 Ų | 132 | 105.5 Ų | 105.5 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 175.3 | -73.7 | 175 | 0.5 | 0 | 0 | 111.6 | V98 G99 L100 M105 S106 | V98-Q102 WeakPolarHBondContact O-CG 3.42Å; V98-Q102 PolarHBondContact O-N 2.92Å; G99-Q102 WeakPolarHBondContact O-CB 3.45Å; G99-Q102 PolarHBondContact O-N 3.33Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.22Å; Q102-M105 PolarHBondContact O-N 3.48Å; Q102-S106 PolarHBondContact O-N 3.18Å |
| 103 | L | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -48.9 | 173.8 | -174.3 | 163 | 0 | 0 | 0 | 110.5 | G99 L100 R101 M105 S106 L107 | G99-L103 PolarHBondContact O-N 3.09Å; L100-L103 WeakPolarHBondContact O-CB 3.39Å; L100-L103 PolarHBondContact O-N 2.94Å; R101-L103 VanDerWaalsContact C-N 3.35Å; L103-M105 VanDerWaalsContact C-N 3.31Å; L103-M105 PolarHBondContact O-N 2.99Å; L103-S106 WeakPolarHBondContact O-CB 3.33Å; L103-S106 PolarHBondContact O-N 2.91Å; L103-S106 VanDerWaalsContact O-N 3.15Å; L103-L107 WeakPolarHBondContact O-CB 3.33Å; L103-L107 PolarHBondContact O-N 3.19Å |
| 104 | D | 98.8 | Very high | 98.6 | Very high | 73 Ų | 73 | 104 Ų | 104 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56 | -46.6 | 177.7 | -78.7 | -4.1 | 0 | 0 | 0 | 111.3 | L100 R101 S106 L107 L108 | L100-D104 PolarHBondContact O-N 3.31Å; R101-D104 PolarHBondContact O-N 3.43Å; D104-S106 PolarHBondContact O-N 3.22Å; D104-L107 PolarHBondContact O-N 3.4Å; D104-L108 WeakPolarHBondContact O-CB 3.32Å; D104-L108 WeakPolarHBondContact O-CG 3.47Å; D104-L108 PolarHBondContact O-N 3.3Å |
| 105 | M | 98.7 | Very high | 98.6 | Very high | 114 Ų | 114 | 102.1 Ų | 102.1 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 177.1 | -72.2 | -59.3 | 112.8 | 0 | 0 | 111.8 | R101 Q102 L103 L107 L108 C109 | R101-M105 WeakPolarHBondContact O-CG 3.49Å; R101-M105 PolarHBondContact O-N 2.98Å; Q102-M105 PolarHBondContact O-N 3.48Å; L103-M105 VanDerWaalsContact C-N 3.31Å; L103-M105 PolarHBondContact O-N 2.99Å; M105-L107 VanDerWaalsContact C-N 3.29Å; M105-L107 PolarHBondContact O-N 3.28Å; M105-L108 HydrophobicContact CE-CD1 3.74Å; M105-L108 PolarHBondContact O-N 3.24Å; M105-C109 PolarHBondContact O-N 3.47Å; M105-C109 PolarHBondContact O-SG 2.86Å |
| 106 | S | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 98.9 Ų | 98.9 | 42% | 0.42 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 176 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | Q102 L103 D104 C109 Q110 | Q102-S106 PolarHBondContact O-N 3.18Å; L103-S106 WeakPolarHBondContact O-CB 3.33Å; L103-S106 PolarHBondContact O-N 2.91Å; L103-S106 VanDerWaalsContact O-N 3.15Å; D104-S106 PolarHBondContact O-N 3.22Å; S106-C109 PolarHBondContact O-N 3.42Å; S106-Q110 VanDerWaalsContact O-CG 3.3Å; S106-Q110 WeakPolarHBondContact O-CG 3.4Å; S106-Q110 PolarHBondContact O-N 2.96Å; S106-Q110 PolarHBondContact OG-NE2 3.39Å |
| 107 | L | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 95.6 Ų | 95.6 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 179.1 | 178.1 | 63.2 | 0 | 0 | 0 | 111.2 | L103 D104 M105 C109 Q110 L111 | L103-L107 WeakPolarHBondContact O-CB 3.33Å; L103-L107 PolarHBondContact O-N 3.19Å; D104-L107 PolarHBondContact O-N 3.4Å; M105-L107 VanDerWaalsContact C-N 3.29Å; M105-L107 PolarHBondContact O-N 3.28Å; L107-C109 VanDerWaalsContact C-N 3.33Å; L107-C109 PolarHBondContact O-N 3.5Å; L107-Q110 WeakPolarHBondContact O-CB 3.41Å; L107-Q110 PolarHBondContact O-N 3.23Å; L107-Q110 VanDerWaalsContact O-N 3.13Å; L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CG 4.38Å; L107-L111 HydrophobicContact CG-CD1 4.13Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 2.85Å |
| 108 | L | 98.7 | Very high | 98.5 | Very high | 100 Ų | 100 | 95.3 Ų | 95.3 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.6 | -72.1 | 173.1 | 0 | 0 | 0 | 111.7 | D104 M105 Q110 L111 Y112 | D104-L108 WeakPolarHBondContact O-CB 3.32Å; D104-L108 WeakPolarHBondContact O-CG 3.47Å; D104-L108 PolarHBondContact O-N 3.3Å; M105-L108 HydrophobicContact CE-CD1 3.74Å; M105-L108 PolarHBondContact O-N 3.24Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.84Å; L108-L111 PolarHBondContact O-N 2.91Å; L108-Y112 WeakPolarHBondContact O-CB 3.45Å; L108-Y112 PolarHBondContact O-N 3.31Å |
| 109 | C | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 95.3 Ų | 95.3 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 173.2 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | M105 S106 L107 S113 | M105-C109 PolarHBondContact O-N 3.47Å; M105-C109 PolarHBondContact O-SG 2.86Å; S106-C109 PolarHBondContact O-N 3.42Å; L107-C109 VanDerWaalsContact C-N 3.33Å; L107-C109 PolarHBondContact O-N 3.5Å; C109-S113 WeakPolarHBondContact O-CB 3.28Å; C109-S113 PolarHBondContact O-N 3.11Å |
| 110 | Q | 98.6 | Very high | 98.4 | Very high | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 177.6 | -71.9 | 170.3 | 17.2 | 0 | 0 | 112 | S106 L107 L108 S113 L114 | S106-Q110 VanDerWaalsContact O-CG 3.3Å; S106-Q110 WeakPolarHBondContact O-CG 3.4Å; S106-Q110 PolarHBondContact O-N 2.96Å; S106-Q110 PolarHBondContact OG-NE2 3.39Å; L107-Q110 WeakPolarHBondContact O-CB 3.41Å; L107-Q110 PolarHBondContact O-N 3.23Å; L107-Q110 VanDerWaalsContact O-N 3.13Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.84Å; Q110-S113 PolarHBondContact O-N 3.06Å; Q110-L114 WeakPolarHBondContact O-CB 3.33Å; Q110-L114 PolarHBondContact O-N 3.43Å |
| 111 | L | 98.8 | Very high | 98.2 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.3 | -72.5 | 171 | 0 | 0 | 0 | 111.7 | L107 L108 L114 Y115 | L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CG 4.38Å; L107-L111 HydrophobicContact CG-CD1 4.13Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 2.85Å; L108-L111 PolarHBondContact O-N 2.91Å; L111-L114 PolarHBondContact O-N 3.38Å; L111-Y115 WeakPolarHBondContact O-CB 3.43Å; L111-Y115 PolarHBondContact O-N 3.27Å |
| 112 | Y | 98.5 | Very high | 98 | Very high | 148 Ų | 148 | 101.7 Ų | 101.7 | 58% | 0.58 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -46.7 | 177.7 | -173.1 | -104.9 | 0 | 0 | 0 | 111.6 | L108 L114 Y115 E116 | L108-Y112 WeakPolarHBondContact O-CB 3.45Å; L108-Y112 PolarHBondContact O-N 3.31Å; Y112-L114 VanDerWaalsContact C-N 3.27Å; Y112-L114 PolarHBondContact O-N 3.37Å; Y112-Y115 WeakPolarHBondContact O-CB 3.37Å; Y112-Y115 PolarHBondContact O-N 3.11Å; Y112-E116 HydrophobicContact CD1-CG 4.31Å; Y112-E116 HydrophobicContact CE1-CG 3.85Å; Y112-E116 HydrophobicContact CE2-CG 4.37Å; Y112-E116 VanDerWaalsContact CZ-OE1 3.24Å; Y112-E116 WeakPolarHBondContact O-CG 3.47Å; Y112-E116 PolarHBondContact O-N 3.48Å; Y112-E116 PolarHBondContact OH-OE1 2.88Å |
| 113 | S | 98.6 | Very high | 97.7 | Very high | 78 Ų | 78 | 97.1 Ų | 97.1 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | C109 Q110 S117 | C109-S113 WeakPolarHBondContact O-CB 3.28Å; C109-S113 PolarHBondContact O-N 3.11Å; Q110-S113 PolarHBondContact O-N 3.06Å; S113-S117 WeakPolarHBondContact O-CB 3.44Å; S113-S117 PolarHBondContact O-N 3.44Å |
| 114 | L | 98.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 94.7 Ų | 94.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 175.9 | 177.7 | 63.3 | 0 | 0 | 0 | 111.1 | Q110 L111 Y112 E116 S117 I118 | Q110-L114 WeakPolarHBondContact O-CB 3.33Å; Q110-L114 PolarHBondContact O-N 3.43Å; L111-L114 PolarHBondContact O-N 3.38Å; Y112-L114 VanDerWaalsContact C-N 3.27Å; Y112-L114 PolarHBondContact O-N 3.37Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 3.45Å; L114-S117 PolarHBondContact O-N 2.98Å; L114-S117 PolarHBondContact O-OG 3Å; L114-I118 HydrophobicContact CD1-CD1 4.11Å; L114-I118 HydrophobicContact CD1-CG1 4.33Å; L114-I118 HydrophobicContact CG-CD1 3.96Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.41Å |
| 115 | Y | 98.3 | Very high | 96.7 | Very high | 124 Ų | 124 | 93.7 Ų | 93.7 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.9 | -51.1 | 175.8 | 168.7 | -95.9 | 0 | 0 | 0 | 111.2 | L111 Y112 S117 I118 Q119 | L111-Y115 WeakPolarHBondContact O-CB 3.43Å; L111-Y115 PolarHBondContact O-N 3.27Å; Y112-Y115 WeakPolarHBondContact O-CB 3.37Å; Y112-Y115 PolarHBondContact O-N 3.11Å; Y115-S117 PolarHBondContact O-N 3.4Å; Y115-I118 PolarHBondContact O-N 2.83Å; Y115-Q119 HydrophobicContact CE1-CG 4.19Å; Y115-Q119 HydrophobicContact CE2-CG 4.22Å; Y115-Q119 WeakPolarHBondContact O-CG 3.35Å; Y115-Q119 PolarHBondContact O-N 3.16Å; Y115-Q119 VanDerWaalsContact O-N 3.14Å; Y115-Q119 PolarHBondContact OH-NE2 2.96Å |
| 116 | E | 98.3 | Very high | 96 | Very high | 78 Ų | 78 | 95.5 Ų | 95.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 178.1 | -68.8 | -61.7 | 150.1 | 0 | 0 | 111.6 | Y112 L114 I118 Q119 E120 | Y112-E116 HydrophobicContact CD1-CG 4.31Å; Y112-E116 HydrophobicContact CE1-CG 3.85Å; Y112-E116 HydrophobicContact CE2-CG 4.37Å; Y112-E116 VanDerWaalsContact CZ-OE1 3.24Å; Y112-E116 WeakPolarHBondContact O-CG 3.47Å; Y112-E116 PolarHBondContact O-N 3.48Å; Y112-E116 PolarHBondContact OH-OE1 2.88Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 3.45Å; E116-I118 VanDerWaalsContact C-N 3.29Å; E116-I118 PolarHBondContact O-N 3.42Å; E116-Q119 PolarHBondContact O-N 3.35Å; E116-Q119 VanDerWaalsContact O-N 3.13Å; E116-E120 PolarHBondContact O-N 3.01Å |
| 117 | S | 98 | Very high | 95 | Very high | 53 Ų | 53 | 96 Ų | 96 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -32.4 | 179 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | S113 L114 Y115 Y121 | S113-S117 WeakPolarHBondContact O-CB 3.44Å; S113-S117 PolarHBondContact O-N 3.44Å; L114-S117 PolarHBondContact O-N 2.98Å; L114-S117 PolarHBondContact O-OG 3Å; Y115-S117 PolarHBondContact O-N 3.4Å; S117-Y121 WeakPolarHBondContact O-CB 3.35Å; S117-Y121 PolarHBondContact O-N 3.33Å |
| 118 | I | 97.7 | Very high | 93.7 | Very high | 83 Ų | 83 | 96.7 Ų | 96.7 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70 | -41.7 | 176.1 | -69.2 | 166.2 | 0 | 0 | 0 | 110 | L114 Y115 E116 Y121 K122 | L114-I118 HydrophobicContact CD1-CD1 4.11Å; L114-I118 HydrophobicContact CD1-CG1 4.33Å; L114-I118 HydrophobicContact CG-CD1 3.96Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.41Å; Y115-I118 PolarHBondContact O-N 2.83Å; E116-I118 VanDerWaalsContact C-N 3.29Å; E116-I118 PolarHBondContact O-N 3.42Å; I118-Y121 PolarHBondContact O-N 2.9Å; I118-K122 HydrophobicContact CG2-CD 4.2Å; I118-K122 WeakPolarHBondContact O-CG 3.47Å; I118-K122 PolarHBondContact O-N 3.46Å |
| 119 | Q | 97.2 | Very high | 92 | Very high | 75 Ų | 75 | 95.8 Ų | 95.8 | 35% | 0.35 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 177.4 | -62.5 | -61.1 | -0.3 | 0 | 0 | 111.4 | Y115 E116 Y121 K122 G123 | Y115-Q119 HydrophobicContact CE1-CG 4.19Å; Y115-Q119 HydrophobicContact CE2-CG 4.22Å; Y115-Q119 WeakPolarHBondContact O-CG 3.35Å; Y115-Q119 PolarHBondContact O-N 3.16Å; Y115-Q119 VanDerWaalsContact O-N 3.14Å; Y115-Q119 PolarHBondContact OH-NE2 2.96Å; E116-Q119 PolarHBondContact O-N 3.35Å; E116-Q119 VanDerWaalsContact O-N 3.13Å; Q119-Y121 PolarHBondContact O-N 3.28Å; Q119-K122 PolarHBondContact O-N 2.97Å; Q119-G123 PolarHBondContact O-N 2.93Å |
| 120 | E | 96.4 | Very high | 89.4 | Confident | 152 Ų | 152 | 95.6 Ų | 95.6 | 71% | 0.71 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 175 | -172.8 | 175.3 | -154.2 | 0 | 0 | 111.4 | E116 K122 G123 A124 | E116-E120 PolarHBondContact O-N 3.01Å; E120-K122 PolarHBondContact O-N 3.39Å; E120-G123 PolarHBondContact O-N 2.99Å; E120-A124 WeakPolarHBondContact O-CB 3.46Å; E120-A124 PolarHBondContact O-N 3.37Å |
| 121 | Y | 96.3 | Very high | 87.2 | Confident | 162 Ų | 162 | 94.8 Ų | 94.8 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 175.7 | 174.1 | -100 | 0 | 0 | 0 | 112.6 | S117 I118 Q119 G123 A124 C125 | S117-Y121 WeakPolarHBondContact O-CB 3.35Å; S117-Y121 PolarHBondContact O-N 3.33Å; I118-Y121 PolarHBondContact O-N 2.9Å; Q119-Y121 PolarHBondContact O-N 3.28Å; Y121-G123 VanDerWaalsContact C-N 3.34Å; Y121-G123 PolarHBondContact O-N 3.33Å; Y121-A124 PolarHBondContact O-N 2.75Å; Y121-C125 PolarHBondContact O-N 3.34Å; Y121-C125 PolarHBondContact O-SG 3.45Å |
| 122 | K | 94.3 | Very high | 85 | Confident | 121 Ų | 121 | 98.1 Ų | 98.1 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.1 | -73.1 | 171.6 | 67.6 | -165 | 0 | 111.4 | I118 Q119 E120 C125 Q126 | I118-K122 HydrophobicContact CG2-CD 4.2Å; I118-K122 WeakPolarHBondContact O-CG 3.47Å; I118-K122 PolarHBondContact O-N 3.46Å; Q119-K122 PolarHBondContact O-N 2.97Å; E120-K122 PolarHBondContact O-N 3.39Å; K122-C125 PolarHBondContact O-N 2.76Å; K122-Q126 PolarHBondContact O-N 3.48Å |
| 123 | G | 91.3 | Very high | 82.7 | Confident | 36 Ų | 36 | 96.1 Ų | 96.1 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.7 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q119 E120 Y121 C125 Q126 A127 | Q119-G123 PolarHBondContact O-N 2.93Å; E120-G123 PolarHBondContact O-N 2.99Å; Y121-G123 VanDerWaalsContact C-N 3.34Å; Y121-G123 PolarHBondContact O-N 3.33Å; G123-C125 PolarHBondContact O-N 2.97Å; G123-Q126 PolarHBondContact O-N 3.48Å; G123-A127 WeakPolarHBondContact O-CB 3.26Å; G123-A127 PolarHBondContact O-N 2.99Å |
| 124 | A | 90.4 | Very high | 80.3 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.6 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E120 Y121 A127 A128 | E120-A124 WeakPolarHBondContact O-CB 3.46Å; E120-A124 PolarHBondContact O-N 3.37Å; Y121-A124 PolarHBondContact O-N 2.75Å; A124-A127 PolarHBondContact O-N 3.45Å; A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.25Å; A124-A128 PolarHBondContact O-N 3.35Å |
| 125 | C | 85.7 | Confident | 77.6 | Confident | 52 Ų | 52 | 103.3 Ų | 103.3 | 35% | 0.351 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -42.5 | 175.2 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | Y121 K122 G123 A128 S129 | Y121-C125 PolarHBondContact O-N 3.34Å; Y121-C125 PolarHBondContact O-SG 3.45Å; K122-C125 PolarHBondContact O-N 2.76Å; G123-C125 PolarHBondContact O-N 2.97Å; C125-A128 PolarHBondContact O-N 2.96Å; C125-S129 WeakPolarHBondContact O-CB 3.44Å; C125-S129 PolarHBondContact O-N 3.07Å; C125-S129 PolarHBondContact O-OG 3.07Å |
| 126 | Q | 83.8 | Confident | 75.4 | Confident | 151 Ų | 151 | 102.7 Ų | 102.7 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.5 | -39.3 | 178.7 | -172.7 | 169.6 | 73.5 | 0 | 0 | 112.1 | K122 G123 S129 | K122-Q126 PolarHBondContact O-N 3.48Å; G123-Q126 PolarHBondContact O-N 3.48Å; Q126-S129 WeakPolarHBondContact CA-OG 3.42Å; Q126-S129 PolarHBondContact O-N 3.08Å; Q126-S129 PolarHBondContact O-OG 2.84Å |
| 127 | A | 78.4 | Confident | 73.2 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.4 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G123 A124 S129 S130 | G123-A127 WeakPolarHBondContact O-CB 3.26Å; G123-A127 PolarHBondContact O-N 2.99Å; A124-A127 PolarHBondContact O-N 3.45Å; A127-S129 VanDerWaalsContact C-N 3.33Å; A127-S130 VanDerWaalsContact O-CB 3.29Å; A127-S130 WeakPolarHBondContact O-CB 3.43Å; A127-S130 PolarHBondContact O-N 3.08Å |
| 128 | A | 70.9 | Confident | 70.8 | Confident | 90 Ų | 90 | 111 Ų | 111 | 74% | 0.744 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.3 | -26.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A124 C125 S130 | A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.25Å; A124-A128 PolarHBondContact O-N 3.35Å; C125-A128 PolarHBondContact O-N 2.96Å; A128-S130 PolarHBondContact O-N 3.01Å |
| 129 | S | 63.1 | Low | 68.4 | Low | 81 Ų | 81 | 113.8 Ų | 113.8 | 57% | 0.566 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 14.1 | 172.7 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | C125 Q126 A127 P131 | C125-S129 WeakPolarHBondContact O-CB 3.44Å; C125-S129 PolarHBondContact O-N 3.07Å; C125-S129 PolarHBondContact O-OG 3.07Å; Q126-S129 WeakPolarHBondContact CA-OG 3.42Å; Q126-S129 PolarHBondContact O-N 3.08Å; Q126-S129 PolarHBondContact O-OG 2.84Å; A127-S129 VanDerWaalsContact C-N 3.33Å; S129-P131 WeakPolarHBondContact O-CD 3.34Å |
| 130 | S | 44.2 | Very low | 66 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | trans | -57 | 122.5 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | A127 A128 | A127-S130 VanDerWaalsContact O-CB 3.29Å; A127-S130 WeakPolarHBondContact O-CB 3.43Å; A127-S130 PolarHBondContact O-N 3.08Å; A128-S130 PolarHBondContact O-N 3.01Å | ||
| 131 | P | 52.1 | Low | 63.4 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | trans | -98 | 96.9 | -178.7 | 35.5 | -29.3 | 0 | 0 | 0 | 111.9 | S129 | S129-P131 WeakPolarHBondContact O-CD 3.34Š| ||
| 132 | D | 52.2 | Low | 60.7 | Low | 165 Ų | 165 | 114.1 Ų | 114.1 | 88% | 0.882 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -85.9 | 15.3 | 159.4 | -96.3 | -16.5 | 0 | 0 | 0 | 112.6 | ||
| 133 | C | 50.1 | Low | 58.5 | Low | 106 Ų | 106 | 115.3 Ų | 115.3 | 72% | 0.716 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -141.5 | 122.9 | 170.1 | -77.9 | 0 | 0 | 0 | 0 | 111 | ||
| 134 | T | 47.9 | Very low | 56.4 | Low | 119 Ų | 119 | 120.2 Ų | 120.2 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 112 | 75.1 | 149.9 | -45.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 135 | Y | 42.6 | Very low | 54.3 | Low | 204 Ų | 204 | 126.4 Ų | 126.4 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | trans | 64.8 | 121.7 | 143.4 | -58.7 | -89.1 | 0 | 0 | 0 | 121.4 | L137 | Y135-L137 PolarHBondContact O-N 2.84Š| ||
| 136 | A | 52.5 | Low | 52.4 | Low | 112 Ų | 112 | 131.7 Ų | 131.7 | 93% | 0.926 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -57.8 | 87.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 137 | L | 52.3 | Low | 50.6 | Low | 136 Ų | 136 | 132.1 Ų | 132.1 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | trans | -140.8 | -25 | 173.5 | -159.2 | 136.2 | 0 | 0 | 0 | 120.3 | Y135 | Y135-L137 PolarHBondContact O-N 2.84Š| ||
| 138 | E | 47.9 | Very low | 49 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -164.9 | 112.5 | -175.6 | -112.4 | -176.5 | 138.3 | 0 | 0 | 107.2 | ||
| 139 | N | 46.7 | Very low | 47.6 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | cis | -149.5 | 125.9 | 37.4 | -65.4 | -16 | 0 | 0 | 0 | 108.2 | ||||
| 140 | G | 46.6 | Very low | 46.9 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -77.2 | 173.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 141 | F | 41.2 | Very low | 47 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | 79.9 | 100.4 | 168.8 | -124.9 | -123 | 0 | 0 | 0 | 113.1 | ||||
| 142 | F | 40.4 | Very low | 46.7 | Very low | 137 Ų | 137 | 154 Ų | 154 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | -158.9 | 117.5 | 72.1 | -121.4 | -125.1 | 0 | 0 | 0 | 110.3 | E144 | F142-E144 HydrophobicContact CD1-CB 3.52Å; F142-E144 HydrophobicContact CD1-CG 3.49Å; F142-E144 VanDerWaalsContact CD1-CG 3.49Å; F142-E144 HydrophobicContact CE1-CB 3.74Å; F142-E144 HydrophobicContact CE1-CG 3.41Å; F142-E144 VanDerWaalsContact CE1-CG 3.41Å; F142-E144 VanDerWaalsContact CE1-OE1 3.27Å; F142-E144 WeakPolarHBondContact CE1-OE1 3.44Å; F142-E144 WeakPolarHBondContact CE1-OE2 3.41Å; F142-E144 HydrophobicContact CG-CB 4.47Å; F142-E144 HydrophobicContact CG-CG 4.23Å; F142-E144 HydrophobicContact CZ-CG 4.01Å; F142-E144 WeakPolarHBondContact CZ-OE1 3.29Å | |||
| 143 | D | 47.8 | Very low | 46.2 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -104.9 | 68.8 | 159.7 | -176.4 | 26.4 | 0 | 0 | 0 | 106.1 | ||||
| 144 | E | 48 | Very low | 46.1 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | trans | -112.9 | 73.9 | 171 | -72.5 | -168.3 | -173.1 | 0 | 0 | 108.8 | F142 | F142-E144 HydrophobicContact CD1-CB 3.52Å; F142-E144 HydrophobicContact CD1-CG 3.49Å; F142-E144 VanDerWaalsContact CD1-CG 3.49Å; F142-E144 HydrophobicContact CE1-CB 3.74Å; F142-E144 HydrophobicContact CE1-CG 3.41Å; F142-E144 VanDerWaalsContact CE1-CG 3.41Å; F142-E144 VanDerWaalsContact CE1-OE1 3.27Å; F142-E144 WeakPolarHBondContact CE1-OE1 3.44Å; F142-E144 WeakPolarHBondContact CE1-OE2 3.41Å; F142-E144 HydrophobicContact CG-CB 4.47Å; F142-E144 HydrophobicContact CG-CG 4.23Å; F142-E144 HydrophobicContact CZ-CG 4.01Å; F142-E144 WeakPolarHBondContact CZ-OE1 3.29Å | ||
| 145 | E | 46.6 | Very low | 45.4 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -146.7 | 11.3 | 155 | -138.6 | -176.8 | -151.6 | 0 | 0 | 114.5 | ||
| 146 | E | 46 | Very low | 45.4 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -107 | 1.9 | -178.2 | -156.7 | 161.5 | -128.3 | 0 | 0 | 114.9 | ||
| 147 | E | 45.1 | Very low | 44.7 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -96.1 | -0.3 | -175.5 | -156.5 | 166.7 | -155 | 0 | 0 | 115.4 | ||
| 148 | Y | 44.3 | Very low | 44 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12.3 | -175.6 | -152.9 | -102.9 | 0 | 0 | 0 | 115.4 | ||
| 149 | F | 43 | Very low | 43.4 | Very low | 191 Ų | 191 | 158.1 Ų | 158.1 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -7.2 | -175.2 | -73.8 | -81.9 | 0 | 0 | 0 | 115.1 | ||
| 150 | Q | 48.2 | Very low | 42.9 | Very low | 160 Ų | 160 | 158.8 Ų | 158.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -18 | -176.8 | -98.8 | 171.4 | 23.4 | 0 | 0 | 115.1 | ||
| 151 | E | 44.9 | Very low | 42.3 | Very low | 155 Ų | 155 | 167.2 Ų | 167.2 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -83.4 | -17.8 | -172.8 | -161.1 | 135.3 | -138.8 | 0 | 0 | 114.7 | N153 | E151-N153 VanDerWaalsContact C-N 3.29Å; E151-N153 PolarHBondContact O-N 3.36Å |
| 152 | Q | 45.6 | Very low | 41.9 | Very low | 184 Ų | 184 | 162.1 Ų | 162.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -76.9 | -8.4 | 179.7 | -72.1 | -158.5 | 13 | 0 | 0 | 115 | ||
| 153 | N | 43.2 | Very low | 42 | Very low | 134 Ų | 134 | 161.6 Ų | 161.6 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -102.8 | -7.9 | -172.7 | -136.2 | -9.9 | 0 | 0 | 0 | 114.9 | E151 | E151-N153 VanDerWaalsContact C-N 3.29Å; E151-N153 PolarHBondContact O-N 3.36Å |
| 154 | S | 47.5 | Very low | 42 | Very low | 104 Ų | 104 | 160.2 Ų | 160.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -106.4 | 5.2 | -169.7 | -76.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 155 | L | 33.9 | Very low | 41.9 | Very low | 164 Ų | 164 | 165.3 Ų | 165.3 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -126.2 | 53.7 | 179.2 | -84.5 | 170.3 | 0 | 0 | 0 | 114.4 | G157 | L155-G157 PolarHBondContact O-N 3.42Š| ||
| 156 | H | 41.5 | Very low | 41.5 | Very low | 178 Ų | 178 | 163.4 Ų | 163.4 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -73.7 | 108.1 | 149.5 | -75.9 | 80.9 | 0 | 0 | 0 | 109.6 | ||||
| 157 | G | 38.3 | Very low | 41.2 | Very low | 72 Ų | 72 | 163.1 Ų | 163.1 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 113.2 | 82.2 | 145 | 0 | 0 | 0 | 0 | 0 | 118.1 | L155 | L155-G157 PolarHBondContact O-N 3.42Š| ||
| 158 | R | 37 | Very low | 40.8 | Very low | 229 Ų | 229 | 160.4 Ų | 160.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -162 | 111.3 | 146.2 | -151.6 | 170.3 | 177.4 | -123.4 | 4.7 | 113.9 | ||||
| 159 | R | 34.9 | Very low | 40.8 | Very low | 218 Ų | 218 | 158.6 Ų | 158.6 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | 77.8 | 122.1 | 149 | -92.8 | -178.8 | 170.8 | -142 | -3 | 121.3 | ||||
| 160 | D | 35.9 | Very low | 41 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -50.3 | 139.1 | 166.1 | -51.8 | -89.7 | 0 | 0 | 0 | 117.2 | ||||
| 161 | R | 33.9 | Very low | 41.1 | Very low | 249 Ų | 249 | 152.9 Ų | 152.9 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | 176.3 | 121.5 | 127 | -107.5 | -175.8 | 167.8 | -170.7 | -3.4 | 112.4 | |||||
| 162 | G | 32.7 | Very low | 40.8 | Very low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -75.3 | -158.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 163 | P | 44 | Very low | 40.8 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | cis | -129.6 | -178.2 | 18.3 | 43.2 | -25.1 | 0 | 0 | 0 | 115.4 | ||||
| 164 | P | 47.6 | Very low | 40.8 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -96.7 | 151.7 | -157 | 37.9 | -31.5 | 0 | 0 | 0 | 113.8 | ||||
| 165 | R | 45.1 | Very low | 40.5 | Very low | 248 Ų | 248 | 148 Ų | 148 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -136.8 | 117.8 | 155.9 | -74.8 | -155.2 | 175.5 | -139.1 | -0 | 110.7 | ||||
| 166 | D | 38.7 | Very low | 41.2 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -48.1 | 147.2 | 163.6 | -60.1 | -52.7 | 0 | 0 | 0 | 111.5 | ||||
| 167 | L | 39.6 | Very low | 41.7 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | 158.1 | 114.6 | 123.7 | -78.6 | 165.4 | 0 | 0 | 0 | 110.9 | |||||
| 168 | S | 37.1 | Very low | 42.5 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 74.6 | 104.2 | 139.1 | -45.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 169 | L | 44.1 | Very low | 43.6 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -52.5 | 147.8 | 148.9 | -65.3 | 163.8 | 0 | 0 | 0 | 110.4 | ||||
| 170 | P | 47.9 | Very low | 44.8 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -111.7 | 110.6 | 137.3 | 30.5 | -22.3 | 0 | 0 | 0 | 109.2 | S172 | P170-S172 PolarHBondContact O-N 2.84Š| ||
| 171 | V | 49.4 | Very low | 45.4 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -53.7 | 107.7 | 153.1 | 161.2 | 0 | 0 | 0 | 0 | 106.6 | S173 | V171-S173 VanDerWaalsContact C-N 3.35Å; V171-S173 PolarHBondContact O-N 3.11Å | ||
| 172 | S | 39.7 | Very low | 46.3 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -89.6 | 85.8 | 164.4 | -63.7 | 0 | 0 | 0 | 0 | 107.2 | P170 L174 | P170-S172 PolarHBondContact O-N 2.84Å; S172-L174 VanDerWaalsContact C-N 3.34Å; S172-L174 PolarHBondContact O-N 2.91Å | ||
| 173 | S | 44.1 | Very low | 47 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -60.7 | 95.6 | 162.4 | 41.8 | 0 | 0 | 0 | 0 | 108.4 | V171 S175 | V171-S173 VanDerWaalsContact C-N 3.35Å; V171-S173 PolarHBondContact O-N 3.11Å; S173-S175 VanDerWaalsContact C-N 3.25Å; S173-S175 PolarHBondContact O-N 3.02Å | ||
| 174 | L | 43.3 | Very low | 47.2 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 93.6 | 164.6 | -73.1 | 166.1 | 0 | 0 | 0 | 107.1 | S172 S176 | S172-L174 VanDerWaalsContact C-N 3.34Å; S172-L174 PolarHBondContact O-N 2.91Å; L174-S176 PolarHBondContact O-N 3.32Å; L174-S176 VanDerWaalsContact O-N 3.11Å | ||
| 175 | S | 42.6 | Very low | 47.2 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 105.1 | 172.8 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | S173 G177 | S173-S175 VanDerWaalsContact C-N 3.25Å; S173-S175 PolarHBondContact O-N 3.02Å; S175-G177 VanDerWaalsContact C-N 3.26Å; S175-G177 PolarHBondContact O-N 3.05Å | ||
| 176 | S | 48.5 | Very low | 47.3 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -64.9 | 77.2 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | L174 | L174-S176 PolarHBondContact O-N 3.32Å; L174-S176 VanDerWaalsContact O-N 3.11Å |
| 177 | G | 52.2 | Low | 47.8 | Very low | 43 Ų | 43 | 138.1 Ų | 138.1 | 44% | 0.443 | 79% | 0.789 | S | S | . | * | trans | -144.6 | -0.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | S175 | S175-G177 VanDerWaalsContact C-N 3.26Å; S175-G177 PolarHBondContact O-N 3.05Å | ||
| 178 | D | 54.5 | Low | 48.3 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 19.5 | -164.8 | -70.1 | -17.7 | 0 | 0 | 0 | 116.1 | ||
| 179 | W | 60.4 | Low | 48.9 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -3.3 | 176.5 | 66.2 | -89.1 | 0 | 0 | 0 | 114.5 | ||
| 180 | I | 60.4 | Low | 49.3 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 58% | 0.579 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -114.2 | 39.3 | -169.3 | -43.4 | 169.7 | 0 | 0 | 0 | 113 | ||
| 181 | L | 48.3 | Very low | 49.4 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -145.6 | 36.8 | 171.4 | -127.5 | 112.9 | 0 | 0 | 0 | 115.9 | ||||
| 182 | E | 52 | Low | 49.4 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -129.6 | 69.8 | 167.8 | -150.1 | 84.2 | -145.7 | 0 | 0 | 110.3 | ||||
| 183 | S | 46.6 | Very low | 50.2 | Low | 123 Ų | 123 | 144.2 Ų | 144.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -160.2 | 83.5 | 160.4 | -78.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 184 | I | 49.3 | Very low | 50.7 | Low | 243 Ų | 243 | 148.4 Ų | 148.4 | 100% | 1.246 | 81% | 0.814 | S | S | * | * | trans | -106.2 | 0 | 156.5 | -62.7 | 169.2 | 0 | 0 | 0 | 106.3 |
Retrieved 184 of 184 residues in 28 ms
(Link to these results)