| 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 | 44.3 | Very low | 45.7 | Very low | 251 Ų | 251 | 137 Ų | 137 | 100% | 1.236 | 81% | 0.814 | S | S | * | * | 0 | 100 | 0 | -98.4 | 157.9 | 157.7 | 0 | 0 | 106.9 | |||||
| 2 | A | 45.2 | Very low | 45.4 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -115.5 | 115.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | E | 48.1 | Very low | 45.2 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -100.1 | 124.2 | 171.6 | -63.3 | -155.2 | 166.2 | 0 | 0 | 108.7 | ||||
| 4 | P | 56.7 | Low | 44.8 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -89.1 | 105.5 | 168.4 | 30.5 | -28.5 | 0 | 0 | 0 | 110.6 | V6 | P4-V6 PolarHBondContact O-N 3.31Š| ||
| 5 | T | 41.5 | Very low | 44.1 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 111.8 | 164.6 | -60.2 | 0 | 0 | 0 | 0 | 109.5 | V7 | T5-V7 HydrophobicContact CG2-CG2 4.38Å; T5-V7 PolarHBondContact O-N 3.23Å | ||
| 6 | V | 52.3 | Low | 43.6 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -84.7 | 109.6 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | P4 I8 | P4-V6 PolarHBondContact O-N 3.31Å; V6-I8 HydrophobicContact CG1-CD1 4.38Å; V6-I8 HydrophobicContact CG1-CG1 3.96Å | ||
| 7 | V | 43.1 | Very low | 43.3 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -88.2 | 117.3 | 171.8 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | T5 | T5-V7 HydrophobicContact CG2-CG2 4.38Å; T5-V7 PolarHBondContact O-N 3.23Å | ||
| 8 | I | 47.7 | Very low | 43.3 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -108.5 | 118.4 | 171.7 | -56.3 | 176.7 | 0 | 0 | 0 | 107.6 | V6 | V6-I8 HydrophobicContact CG1-CD1 4.38Å; V6-I8 HydrophobicContact CG1-CG1 3.96Å | ||
| 9 | A | 42.9 | Very low | 43 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | trans | -75.4 | 145.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 10 | P | 43.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 126.2 | 173.2 | 30.6 | -31.3 | 0 | 0 | 0 | 110.4 | T12 | P10-T12 PolarHBondContact O-N 3.28Š| ||
| 11 | T | 37.8 | Very low | 42.3 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -86.2 | 103.9 | 170.9 | -51.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 12 | T | 41.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 120 | 169.3 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | P10 | P10-T12 PolarHBondContact O-N 3.28Š|
| 13 | V | 43.7 | Very low | 42.2 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 126.1 | 164.2 | -108.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 14 | P | 39.6 | Very low | 42.3 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 154.9 | -179.6 | 36.5 | -30.7 | 0 | 0 | 0 | 112.6 | ||
| 15 | R | 34.3 | Very low | 41.6 | Very low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | 84.8 | 142.5 | 145.7 | -131.3 | 174.7 | 154 | 144.3 | 3.6 | 115.2 | ||||
| 16 | E | 35.9 | Very low | 41.8 | Very low | 131 Ų | 131 | 136 Ų | 136 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | cis | -151 | 136.8 | 18.7 | -22.4 | -146.8 | 120.7 | 0 | 0 | 110.9 | ||||
| 17 | D | 38.1 | Very low | 41.3 | Very low | 172 Ų | 172 | 136 Ų | 136 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | trans | -80.4 | 123.9 | 161.7 | -82.3 | -45.8 | 0 | 0 | 0 | 109.2 | ||||
| 18 | L | 43.1 | Very low | 41.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -132.8 | 99.3 | 164 | -95.3 | 152.8 | 0 | 0 | 0 | 108 | ||||
| 19 | G | 37.2 | Very low | 41.7 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -64.4 | 139.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 20 | H | 36.7 | Very low | 42.1 | Very low | 193 Ų | 193 | 141 Ų | 141 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -134.9 | 118.9 | 155.1 | -98.1 | 30.4 | 0 | 0 | 0 | 107.5 | ||||
| 21 | G | 36.2 | Very low | 42.6 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -86.1 | 140.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 22 | E | 39.5 | Very low | 43.5 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | 60.7 | 156.5 | 145.9 | -57.8 | -64.5 | 146 | 0 | 0 | 120 | ||||
| 23 | P | 46 | Very low | 44 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | cis | -128 | 158 | -13.1 | 31.5 | -11.5 | 0 | 0 | 0 | 114.7 | L25 | P23-L25 PolarHBondContact O-N 3.32Š| ||
| 24 | L | 50.8 | Low | 44.7 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 18.5 | 94.9 | 142.7 | -142.9 | 159.3 | 0 | 0 | 0 | 118.2 | M26 | L24-M26 HydrophobicContact CD2-CB 4.44Å; L24-M26 HydrophobicContact CD2-CG 3.5Å | ||
| 25 | L | 42.1 | Very low | 45.3 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -123.9 | 96.6 | 150.5 | -109.8 | 165 | 0 | 0 | 0 | 108.5 | P23 T27 | P23-L25 PolarHBondContact O-N 3.32Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.06Å | ||
| 26 | M | 46.4 | Very low | 46.3 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | -61.1 | 90 | 169.9 | -68.5 | -101.4 | 81.9 | 0 | 0 | 108.9 | L24 A28 | L24-M26 HydrophobicContact CD2-CB 4.44Å; L24-M26 HydrophobicContact CD2-CG 3.5Å; M26-A28 PolarHBondContact O-N 3.27Å | ||
| 27 | T | 40.9 | Very low | 47.2 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | -85.1 | 95.6 | 158.9 | 55.2 | 0 | 0 | 0 | 0 | 106.6 | L25 K29 | L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.06Å; T27-K29 VanDerWaalsContact C-N 3.31Å; T27-K29 PolarHBondContact O-N 2.83Å | ||
| 28 | A | 49.9 | Very low | 48.3 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -57.8 | 100.5 | 167 | 0 | 0 | 0 | 0 | 0 | 107.2 | M26 Q30 | M26-A28 PolarHBondContact O-N 3.27Å; A28-Q30 PolarHBondContact O-N 2.76Å | ||
| 29 | K | 50.8 | Low | 49.2 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | trans | -54.3 | 112.4 | 166.4 | -78.7 | 179.3 | 178.3 | 175.7 | 0 | 105.6 | T27 V31 | T27-K29 VanDerWaalsContact C-N 3.31Å; T27-K29 PolarHBondContact O-N 2.83Å; K29-V31 PolarHBondContact O-N 3.37Å | ||
| 30 | Q | 51.2 | Low | 50.5 | Low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -61.4 | 97.9 | 169.1 | -75.2 | -160.4 | -22.5 | 0 | 0 | 107 | A28 K32 | A28-Q30 PolarHBondContact O-N 2.76Å; Q30-K32 VanDerWaalsContact C-N 3.31Å; Q30-K32 PolarHBondContact O-N 2.82Å | ||
| 31 | V | 53.5 | Low | 52 | Low | 122 Ų | 122 | 129.2 Ų | 129.2 | 74% | 0.739 | 69% | 0.694 | S | S | * | * | trans | -63.1 | 101.7 | 165.3 | 175.7 | 0 | 0 | 0 | 0 | 104.7 | K29 K33 | K29-V31 PolarHBondContact O-N 3.37Å; V31-K33 VanDerWaalsContact C-N 3.28Å; V31-K33 PolarHBondContact O-N 2.99Å | ||
| 32 | K | 55.1 | Low | 53.7 | Low | 188 Ų | 188 | 134.1 Ų | 134.1 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | trans | -56.5 | 101.3 | 164.9 | -74.1 | -179.4 | 177.1 | 179 | 0 | 105.9 | Q30 T34 | Q30-K32 VanDerWaalsContact C-N 3.31Å; Q30-K32 PolarHBondContact O-N 2.82Å; K32-T34 PolarHBondContact O-N 3.3Å | ||
| 33 | K | 52.8 | Low | 55.1 | Low | 161 Ų | 161 | 131 Ų | 131 | 70% | 0.7 | 67% | 0.67 | S | S | * | * | trans | -63.5 | 100.8 | 172.2 | -67.3 | -174.3 | 176.2 | -170.6 | 0 | 106.8 | V31 P35 | V31-K33 VanDerWaalsContact C-N 3.28Å; V31-K33 PolarHBondContact O-N 2.99Å; K33-P35 WeakPolarHBondContact O-CD 3.34Å | ||
| 34 | T | 57.9 | Low | 56.2 | Low | 91 Ų | 91 | 133.8 Ų | 133.8 | 56% | 0.558 | 67% | 0.667 | S | S | * | * | trans | -71.6 | 114.7 | 166.3 | 46.5 | 0 | 0 | 0 | 0 | 107.1 | K32 G36 | K32-T34 PolarHBondContact O-N 3.3Å; T34-G36 PolarHBondContact O-N 3.33Å | ||
| 35 | P | 53.4 | Low | 57 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 84% | 0.838 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 38.2 | -171.6 | 35.8 | -37.3 | 0 | 0 | 0 | 112.2 | K33 | K33-P35 WeakPolarHBondContact O-CD 3.34Š|
| 36 | G | 54.9 | Low | 58.1 | Low | 57 Ų | 57 | 130.1 Ų | 130.1 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | -9.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T34 | T34-G36 PolarHBondContact O-N 3.33Š|
| 37 | L | 55.3 | Low | 59.1 | Low | 93 Ų | 93 | 127.2 Ų | 127.2 | 49% | 0.487 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -112.5 | -1.2 | -177.3 | -159.6 | 69.7 | 0 | 0 | 0 | 113.4 | G41 | L37-G41 PolarHBondContact O-N 2.9Š|
| 38 | E | 60 | Low | 60.2 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -33.3 | -176.7 | -65.9 | -171.1 | 164.2 | 0 | 0 | 112.4 | ||
| 39 | R | 63.3 | Low | 61 | Low | 203 Ų | 203 | 129 Ų | 129 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -42 | -178.1 | -171.5 | -178.1 | -64.4 | -95.4 | -0.5 | 113.2 | ||
| 40 | E | 64.7 | Low | 62 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 58% | 0.579 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -3.9 | -170.1 | -35.9 | -67.9 | 150.8 | 0 | 0 | 113.4 | W43 | E40-W43 PolarHBondContact O-NE1 2.92Š|
| 41 | G | 67.9 | Low | 63.2 | Low | 2 Ų | 2 | 119.7 Ų | 119.7 | 2% | 0.021 | 61% | 0.608 | C | S | . | * | trans | -105.8 | -6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L37 W43 R44 L45 | L37-G41 PolarHBondContact O-N 2.9Å; G41-W43 VanDerWaalsContact C-N 3.29Å; G41-W43 PolarHBondContact O-N 3.43Å; G41-R44 WeakPolarHBondContact O-CB 3.31Å; G41-R44 PolarHBondContact O-N 2.95Å; G41-L45 PolarHBondContact O-N 3.27Å | ||
| 42 | W | 71.1 | Confident | 64.4 | Low | 176 Ų | 176 | 120 Ų | 120 | 67% | 0.667 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62 | -35.6 | -172.9 | 70.9 | -89.9 | 0 | 0 | 0 | 112.8 | R44 L45 T46 | W42-R44 VanDerWaalsContact C-N 3.32Å; W42-R44 PolarHBondContact O-N 3.01Å; W42-L45 PolarHBondContact O-N 3.07Å; W42-T46 PolarHBondContact O-N 2.66Å; W42-T46 PolarHBondContact O-OG1 2.82Å |
| 43 | W | 68.3 | Low | 65.6 | Low | 115 Ų | 115 | 116.2 Ų | 116.2 | 44% | 0.436 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75.1 | -18.3 | 176.6 | 59.3 | -91.8 | 0 | 0 | 0 | 113.5 | E40 G41 I47 | E40-W43 PolarHBondContact O-NE1 2.92Å; G41-W43 VanDerWaalsContact C-N 3.29Å; G41-W43 PolarHBondContact O-N 3.43Å; W43-I47 HydrophobicContact CB-CD1 4.44Å; W43-I47 HydrophobicContact CE3-CD1 4.41Å; W43-I47 WeakPolarHBondContact O-CB 3.45Å; W43-I47 WeakPolarHBondContact O-CD1 3.43Å; W43-I47 WeakPolarHBondContact O-CG1 3.36Å; W43-I47 PolarHBondContact O-N 3.06Å |
| 44 | R | 69.3 | Low | 66.7 | Low | 163 Ų | 163 | 112 Ų | 112 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -80 | -22.8 | 176.4 | -64.1 | -175.4 | 177.6 | -150.9 | 0.4 | 112.8 | G41 W42 | G41-R44 WeakPolarHBondContact O-CB 3.31Å; G41-R44 PolarHBondContact O-N 2.95Å; W42-R44 VanDerWaalsContact C-N 3.32Å; W42-R44 PolarHBondContact O-N 3.01Å |
| 45 | L | 68.6 | Low | 67.8 | Low | 134 Ų | 134 | 112.3 Ų | 112.3 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -89.6 | -27.2 | 177.9 | -64.8 | 173.3 | 0 | 0 | 0 | 112.3 | G41 W42 | G41-L45 PolarHBondContact O-N 3.27Å; W42-L45 PolarHBondContact O-N 3.07Å |
| 46 | T | 65.4 | Low | 69.2 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -89.7 | -26.3 | -179.2 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | W42 T48 | W42-T46 PolarHBondContact O-N 2.66Å; W42-T46 PolarHBondContact O-OG1 2.82Å; T46-T48 VanDerWaalsContact C-N 3.34Å; T46-T48 PolarHBondContact O-N 2.98Å |
| 47 | I | 66.8 | Low | 70.6 | Confident | 96 Ų | 96 | 116.3 Ų | 116.3 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | trans | -90 | 76.5 | 176 | -56.4 | 171.6 | 0 | 0 | 0 | 107.9 | W43 T50 | W43-I47 HydrophobicContact CB-CD1 4.44Å; W43-I47 HydrophobicContact CE3-CD1 4.41Å; W43-I47 WeakPolarHBondContact O-CB 3.45Å; W43-I47 WeakPolarHBondContact O-CD1 3.43Å; W43-I47 WeakPolarHBondContact O-CG1 3.36Å; W43-I47 PolarHBondContact O-N 3.06Å; I47-T50 HydrophobicContact CG2-CG2 3.79Å | ||
| 48 | T | 63.4 | Low | 72 | Confident | 109 Ų | 109 | 120.8 Ų | 120.8 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | trans | -80.9 | -34.3 | 175.1 | 44.6 | 0 | 0 | 0 | 0 | 112.3 | T46 | T46-T48 VanDerWaalsContact C-N 3.34Å; T46-T48 PolarHBondContact O-N 2.98Å | ||
| 49 | D | 68.4 | Low | 73.3 | Confident | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | trans | -126.4 | 94.6 | -172.3 | -59.8 | -45 | 0 | 0 | 0 | 110.7 | P51 | D49-P51 WeakPolarHBondContact O-CD 3.32Š| ||
| 50 | T | 70.8 | Confident | 74.6 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 118 | 165 | 51.2 | 0 | 0 | 0 | 0 | 108.1 | I47 | I47-T50 HydrophobicContact CG2-CG2 3.79Š|
| 51 | P | 75.9 | Confident | 75.5 | Confident | 64 Ų | 64 | 117.6 Ų | 117.6 | 42% | 0.416 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 151 | 177.9 | 27.7 | -34.5 | 0 | 0 | 0 | 109.9 | D49 Y56 | D49-P51 WeakPolarHBondContact O-CD 3.32Å; P51-Y56 HydrophobicContact CG-CD1 3.67Å; P51-Y56 HydrophobicContact CG-CE1 3.65Å |
| 52 | I | 79.9 | Confident | 76.5 | Confident | 128 Ų | 128 | 122.4 Ų | 122.4 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 131.4 | 177.3 | -60.6 | 166.2 | 0 | 0 | 0 | 108.2 | G54 T55 | I52-G54 PolarHBondContact O-N 3.26Å; I52-G54 VanDerWaalsContact O-N 3.15Å; I52-T55 WeakPolarHBondContact O-CB 3.18Å; I52-T55 PolarHBondContact O-N 3.05Å |
| 53 | P | 79.9 | Confident | 77.3 | Confident | 109 Ų | 109 | 117.8 Ų | 117.8 | 71% | 0.708 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 123.9 | -179.6 | 21.4 | -32.4 | 0 | 0 | 0 | 110 | ||
| 54 | G | 76.6 | Confident | 78.2 | Confident | 72 Ų | 72 | 117.9 Ų | 117.9 | 74% | 0.742 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.5 | -9.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | I52 | I52-G54 PolarHBondContact O-N 3.26Å; I52-G54 VanDerWaalsContact O-N 3.15Å |
| 55 | T | 80.5 | Confident | 78.8 | Confident | 98 Ų | 98 | 113 Ų | 113 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | trans | -104.3 | 29 | 173.2 | -47.1 | 0 | 0 | 0 | 0 | 111.6 | I52 H57 | I52-T55 WeakPolarHBondContact O-CB 3.18Å; I52-T55 PolarHBondContact O-N 3.05Å; T55-H57 PolarHBondContact O-N 3.18Å | ||
| 56 | Y | 81.7 | Confident | 79.6 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 54% | 0.541 | 61% | 0.611 | S | S | . | * | trans | -70.5 | 125.9 | 174.7 | -59.6 | -75.5 | 0 | 0 | 0 | 109.4 | P51 F58 | P51-Y56 HydrophobicContact CG-CD1 3.67Å; P51-Y56 HydrophobicContact CG-CE1 3.65Å; Y56-F58 PolarHBondContact O-N 3.13Å | ||
| 57 | H | 85.4 | Confident | 80.5 | Confident | 133 Ų | 133 | 114.3 Ų | 114.3 | 62% | 0.616 | 61% | 0.613 | S | S | * | * | trans | -73.7 | 110.8 | 171.6 | -175.9 | 58.9 | 0 | 0 | 0 | 109.3 | T55 R59 E63 | T55-H57 PolarHBondContact O-N 3.18Å; H57-R59 PolarHBondContact O-N 3.17Å; H57-R59 VanDerWaalsContact O-N 3.16Å; H57-E63 IonicContact CD2-OE2 3.73Å; H57-E63 IonicContact CE1-OE2 3.73Å; H57-E63 IonicContact NE2-OE2 2.78Å; H57-E63 PolarHBondContact NE2-OE2 3Å | ||
| 58 | F | 85.3 | Confident | 81.1 | Confident | 187 Ų | 187 | 115.2 Ų | 115.2 | 82% | 0.82 | 62% | 0.619 | S | S | * | * | trans | -75.5 | 100.3 | 170.1 | -76 | -81.7 | 0 | 0 | 0 | 108.8 | Y56 | Y56-F58 PolarHBondContact O-N 3.13Š| ||
| 59 | R | 87.4 | Confident | 81.9 | Confident | 138 Ų | 138 | 114.5 Ų | 114.5 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | trans | -67.4 | 137.3 | 179 | -68.4 | 177.5 | -173.1 | 172.4 | 0.1 | 110.5 | H57 E63 L67 | H57-R59 PolarHBondContact O-N 3.17Å; H57-R59 VanDerWaalsContact O-N 3.16Å; R59-E63 WeakPolarHBondContact CA-OE2 3.2Å; R59-E63 HydrophobicContact CB-CB 4.25Å; R59-L67 VanDerWaalsContact NH1-CD1 3.32Å | ||
| 60 | T | 89.8 | Confident | 82.3 | Confident | 72 Ų | 72 | 113.4 Ų | 113.4 | 44% | 0.442 | 62% | 0.615 | S | S | . | * | trans | -74.5 | 159 | 169.7 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | T62 E63 E64 | T60-T62 PolarHBondContact O-N 3.37Å; T60-T62 VanDerWaalsContact O-N 3.07Å; T60-E63 PolarHBondContact O-N 3.15Å; T60-E63 WeakPolarHBondContact OG1-CG 3.47Å; T60-E63 PolarHBondContact OG1-OE1 3.03Å; T60-E64 PolarHBondContact O-N 3.28Å | ||
| 61 | F | 83.7 | Confident | 82.3 | Confident | 188 Ų | 188 | 116.7 Ų | 116.7 | 83% | 0.825 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -53.5 | -32.5 | 178.9 | -63.3 | -66.7 | 0 | 0 | 0 | 113.2 | A65 | F61-A65 VanDerWaalsContact O-CB 3.29Å; F61-A65 WeakPolarHBondContact O-CB 3.38Å; F61-A65 PolarHBondContact O-N 3.21Å; F61-A65 VanDerWaalsContact O-N 3.08Å |
| 62 | T | 87.9 | Confident | 82.1 | Confident | 103 Ų | 103 | 119.6 Ų | 119.6 | 63% | 0.632 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71 | -44.4 | 177.3 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | T60 E64 A65 L66 | T60-T62 PolarHBondContact O-N 3.37Å; T60-T62 VanDerWaalsContact O-N 3.07Å; T62-E64 VanDerWaalsContact C-N 3.33Å; T62-A65 PolarHBondContact O-N 2.77Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.23Å; T62-L66 VanDerWaalsContact O-N 3.17Å |
| 63 | E | 89.1 | Confident | 81.7 | Confident | 80 Ų | 80 | 120 Ų | 120 | 37% | 0.374 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65 | -39.1 | 178.5 | -71.7 | 166.4 | -153.3 | 0 | 0 | 111.7 | H57 R59 T60 L66 L67 | H57-E63 IonicContact CD2-OE2 3.73Å; H57-E63 IonicContact CE1-OE2 3.73Å; H57-E63 IonicContact NE2-OE2 2.78Å; H57-E63 PolarHBondContact NE2-OE2 3Å; R59-E63 WeakPolarHBondContact CA-OE2 3.2Å; R59-E63 HydrophobicContact CB-CB 4.25Å; T60-E63 PolarHBondContact O-N 3.15Å; T60-E63 WeakPolarHBondContact OG1-CG 3.47Å; T60-E63 PolarHBondContact OG1-OE1 3.03Å; E63-L66 PolarHBondContact O-N 2.6Å; E63-L67 PolarHBondContact O-N 3.47Å |
| 64 | E | 86.1 | Confident | 81 | Confident | 117 Ų | 117 | 123.5 Ų | 123.5 | 55% | 0.547 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.4 | -41.5 | 176 | -170.2 | 174.1 | -168.7 | 0 | 0 | 111.8 | T60 T62 L66 L67 N68 | T60-E64 PolarHBondContact O-N 3.28Å; T62-E64 VanDerWaalsContact C-N 3.33Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 3.13Å; E64-L67 PolarHBondContact O-N 3.05Å; E64-N68 PolarHBondContact O-N 2.98Å |
| 65 | A | 81.9 | Confident | 80.4 | Confident | 60 Ų | 60 | 124 Ų | 124 | 50% | 0.496 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.3 | -31.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F61 T62 N68 P69 | F61-A65 VanDerWaalsContact O-CB 3.29Å; F61-A65 WeakPolarHBondContact O-CB 3.38Å; F61-A65 PolarHBondContact O-N 3.21Å; F61-A65 VanDerWaalsContact O-N 3.08Å; T62-A65 PolarHBondContact O-N 2.77Å; A65-N68 CarbonylContact O-C 3.52Å; A65-P69 WeakPolarHBondContact O-CA 3.44Å |
| 66 | L | 85.6 | Confident | 79.5 | Confident | 136 Ų | 136 | 127.5 Ų | 127.5 | 71% | 0.712 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74 | -30.9 | 176.3 | -71 | 174.1 | 0 | 0 | 0 | 112.9 | T62 E63 E64 | T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.23Å; T62-L66 VanDerWaalsContact O-N 3.17Å; E63-L66 PolarHBondContact O-N 2.6Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 3.13Å |
| 67 | L | 84.8 | Confident | 78.8 | Confident | 118 Ų | 118 | 129.1 Ų | 129.1 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.5 | -29.1 | -177.5 | -166.5 | 128.9 | 0 | 0 | 0 | 112.5 | R59 E63 E64 | R59-L67 VanDerWaalsContact NH1-CD1 3.32Å; E63-L67 PolarHBondContact O-N 3.47Å; E64-L67 PolarHBondContact O-N 3.05Å |
| 68 | N | 79 | Confident | 77.3 | Confident | 115 Ų | 115 | 128.5 Ų | 128.5 | 62% | 0.615 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -130.6 | 79.8 | 170.9 | -174.1 | 18.6 | 0 | 0 | 0 | 109.8 | E64 A65 V70 | E64-N68 PolarHBondContact O-N 2.98Å; A65-N68 CarbonylContact O-C 3.52Å; N68-V70 PolarHBondContact O-N 3.44Å |
| 69 | P | 80.2 | Confident | 76.4 | Confident | 95 Ų | 95 | 128.6 Ų | 128.6 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | trans | -66.1 | 100.9 | -179.2 | 27.1 | -32.9 | 0 | 0 | 0 | 109 | A65 K71 | A65-P69 WeakPolarHBondContact O-CA 3.44Å; P69-K71 PolarHBondContact O-N 3.06Å; P69-K71 VanDerWaalsContact O-N 3.1Å | ||
| 70 | V | 76.2 | Confident | 75 | Confident | 116 Ų | 116 | 125.1 Ų | 125.1 | 70% | 0.703 | 65% | 0.652 | S | S | * | * | trans | -62.2 | 115.6 | 171.5 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | N68 I72 | N68-V70 PolarHBondContact O-N 3.44Å; V70-I72 PolarHBondContact O-N 3.25Å | ||
| 71 | K | 72.1 | Confident | 73.6 | Confident | 184 Ų | 184 | 132.2 Ų | 132.2 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | trans | -55.3 | 118.4 | 174.5 | -66.6 | -177.5 | -178.4 | 179.3 | 0 | 107.4 | P69 T73 | P69-K71 PolarHBondContact O-N 3.06Å; P69-K71 VanDerWaalsContact O-N 3.1Å; K71-T73 VanDerWaalsContact C-N 3.34Å; K71-T73 WeakPolarHBondContact O-CG2 3.42Å; K71-T73 PolarHBondContact O-N 2.88Å | ||
| 72 | I | 71 | Confident | 72.6 | Confident | 124 Ų | 124 | 133 Ų | 133 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | trans | -70 | 96.3 | -178.3 | -51.4 | 170.8 | 0 | 0 | 0 | 107.5 | V70 Y74 N75 | V70-I72 PolarHBondContact O-N 3.25Å; I72-Y74 VanDerWaalsContact C-N 3.31Å; I72-N75 VanDerWaalsContact CG2-CG 3.46Å; I72-N75 VanDerWaalsContact CG2-ND2 3.29Å; I72-N75 WeakPolarHBondContact CG2-ND2 3.5Å; I72-N75 WeakPolarHBondContact CG2-OD1 3.5Å | ||
| 73 | T | 71.7 | Confident | 71.3 | Confident | 138 Ų | 138 | 135.8 Ų | 135.8 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | trans | -78.1 | -19.4 | -174.5 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | K71 | K71-T73 VanDerWaalsContact C-N 3.34Å; K71-T73 WeakPolarHBondContact O-CG2 3.42Å; K71-T73 PolarHBondContact O-N 2.88Å | ||
| 74 | Y | 64.3 | Low | 70 | Confident | 181 Ų | 181 | 139.6 Ų | 139.6 | 71% | 0.71 | 70% | 0.7 | S | S | * | * | trans | -153.2 | 114.8 | -179.2 | -173.3 | -107.6 | 0 | 0 | 0 | 110.2 | I72 | I72-Y74 VanDerWaalsContact C-N 3.31Š| ||
| 75 | N | 63.9 | Low | 68.6 | Low | 82 Ų | 82 | 138.3 Ų | 138.3 | 44% | 0.439 | 70% | 0.702 | S | S | . | * | trans | -104.7 | 127.2 | 167.2 | -77.1 | -57.1 | 0 | 0 | 0 | 107.4 | I72 K77 N78 | I72-N75 VanDerWaalsContact CG2-CG 3.46Å; I72-N75 VanDerWaalsContact CG2-ND2 3.29Å; I72-N75 WeakPolarHBondContact CG2-ND2 3.5Å; I72-N75 WeakPolarHBondContact CG2-OD1 3.5Å; N75-K77 PolarHBondContact O-N 3.42Å; N75-K77 VanDerWaalsContact O-N 3.11Å; N75-N78 WeakPolarHBondContact CB-OD1 3.38Å; N75-N78 PolarHBondContact O-OD1 2.94Å | ||
| 76 | F | 62.2 | Low | 67.3 | Low | 173 Ų | 173 | 142.7 Ų | 142.7 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -14.3 | 176.1 | 179.7 | -111.5 | 0 | 0 | 0 | 112.5 | ||
| 77 | K | 66.8 | Low | 65.8 | Low | 171 Ų | 171 | 140.8 Ų | 140.8 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145 | 83.4 | 173.6 | -65.7 | -161.7 | -177.5 | -174.2 | 0 | 111 | N75 | N75-K77 PolarHBondContact O-N 3.42Å; N75-K77 VanDerWaalsContact O-N 3.11Å |
| 78 | N | 54.9 | Low | 64.3 | Low | 120 Ų | 120 | 143 Ų | 143 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -58 | 145.5 | 154.2 | -54 | 19.4 | 0 | 0 | 0 | 106.6 | N75 G80 | N75-N78 WeakPolarHBondContact CB-OD1 3.38Å; N75-N78 PolarHBondContact O-OD1 2.94Å; N78-G80 PolarHBondContact O-N 3.46Å | ||
| 79 | E | 65.3 | Low | 63.2 | Low | 190 Ų | 190 | 146.5 Ų | 146.5 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -63.7 | 63 | 176.5 | -60.8 | -176.9 | 153.8 | 0 | 0 | 112 | R81 | E79-R81 PolarHBondContact O-N 3.04Š| ||
| 80 | G | 58.4 | Low | 62.3 | Low | 64 Ų | 64 | 148.7 Ų | 148.7 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -87.8 | 105.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N78 | N78-G80 PolarHBondContact O-N 3.46Š| ||
| 81 | R | 61.3 | Low | 61.6 | Low | 221 Ų | 221 | 150.4 Ų | 150.4 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 78.5 | 94 | 174.5 | -52.9 | 174.1 | 178.3 | 163.9 | -0.8 | 114.3 | E79 K83 | E79-R81 PolarHBondContact O-N 3.04Å; R81-K83 HydrophobicContact CB-CG 4.35Å; R81-K83 PolarHBondContact O-N 3.23Å | ||
| 82 | K | 61.5 | Low | 61.1 | Low | 204 Ų | 204 | 147 Ų | 147 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | -66.9 | 76.3 | 152.2 | -63.7 | -160.5 | -178.5 | -173.3 | 0 | 109 | L84 | K82-L84 PolarHBondContact O-N 2.76Š| ||
| 83 | K | 60.8 | Low | 60.7 | Low | 162 Ų | 162 | 145.9 Ų | 145.9 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 124.4 | 158.6 | -70.6 | -146.5 | 174.4 | -170.2 | 0 | 105.9 | R81 P85 | R81-K83 HydrophobicContact CB-CG 4.35Å; R81-K83 PolarHBondContact O-N 3.23Å; K83-P85 WeakPolarHBondContact O-CD 3.36Å; K83-P85 VanDerWaalsContact O-N 3.11Å |
| 84 | L | 61.1 | Low | 60.2 | Low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 122.8 | 161.7 | -70.1 | 174 | 0 | 0 | 0 | 106 | K82 L86 | K82-L84 PolarHBondContact O-N 2.76Å; L84-L86 PolarHBondContact O-N 2.92Å |
| 85 | P | 57.8 | Low | 60.1 | Low | 90 Ų | 90 | 140.7 Ų | 140.7 | 58% | 0.584 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 117.5 | -177.3 | 22.3 | -30.1 | 0 | 0 | 0 | 107.6 | K83 V87 L88 | K83-P85 WeakPolarHBondContact O-CD 3.36Å; K83-P85 VanDerWaalsContact O-N 3.11Å; P85-V87 HydrophobicContact CB-CB 4.42Å; P85-V87 PolarHBondContact O-N 3.43Å; P85-L88 PolarHBondContact O-N 3.11Å; P85-L88 VanDerWaalsContact O-N 3.13Å |
| 86 | L | 55.1 | Low | 60.4 | Low | 152 Ų | 152 | 144.4 Ų | 144.4 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -10.6 | 163.6 | -87.8 | 148.5 | 0 | 0 | 0 | 111.4 | L84 L88 | L84-L86 PolarHBondContact O-N 2.92Å; L86-L88 VanDerWaalsContact C-N 3.31Å |
| 87 | V | 53 | Low | 60.8 | Low | 96 Ų | 96 | 142 Ų | 142 | 58% | 0.582 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 34 | 172.8 | -161.3 | 0 | 0 | 0 | 0 | 111.7 | P85 R89 | P85-V87 HydrophobicContact CB-CB 4.42Å; P85-V87 PolarHBondContact O-N 3.43Å; V87-R89 PolarHBondContact O-N 3.44Å |
| 88 | L | 53.9 | Low | 61.3 | Low | 163 Ų | 163 | 139.5 Ų | 139.5 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -81.3 | 38.7 | 139.9 | -164 | 80.8 | 0 | 0 | 0 | 109.1 | P85 L86 | P85-L88 PolarHBondContact O-N 3.11Å; P85-L88 VanDerWaalsContact O-N 3.13Å; L86-L88 VanDerWaalsContact C-N 3.31Å |
| 89 | R | 56.3 | Low | 62.5 | Low | 190 Ų | 190 | 142.7 Ų | 142.7 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -145.2 | 100.2 | 175.8 | -68.8 | -161.4 | 173.2 | 141.9 | 1.8 | 104.8 | V87 | V87-R89 PolarHBondContact O-N 3.44Š|
| 90 | N | 60.7 | Low | 63.4 | Low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 88.3 | 110 | 175.8 | -42.4 | -26.8 | 0 | 0 | 0 | 113.3 | ||
| 91 | D | 61.3 | Low | 64.6 | Low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -50.3 | 123.6 | 172.1 | -60.1 | -53.4 | 0 | 0 | 0 | 109.9 | V93 | D91-V93 PolarHBondContact O-N 3.41Š| ||
| 92 | P | 61.5 | Low | 65.9 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -82 | 11.3 | -174.1 | 32.7 | -36.1 | 0 | 0 | 0 | 113.5 | P94 | P92-P94 VanDerWaalsContact O-CD 3.29Å; P92-P94 WeakPolarHBondContact O-CD 3.46Å | ||
| 93 | V | 63.7 | Low | 67.2 | Low | 101 Ų | 101 | 130.4 Ų | 130.4 | 61% | 0.612 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -83.3 | 116.9 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | D91 T95 | D91-V93 PolarHBondContact O-N 3.41Å; V93-T95 VanDerWaalsContact C-N 3.29Å; V93-T95 PolarHBondContact O-N 2.95Å; V93-T95 PolarHBondContact O-OG1 3.07Å |
| 94 | P | 59.4 | Low | 68.7 | Low | 81 Ų | 81 | 127.2 Ų | 127.2 | 53% | 0.526 | 69% | 0.692 | S | S | . | * | trans | -62.9 | 99.3 | 162.8 | -10.6 | 27.1 | 0 | 0 | 0 | 106.3 | P92 D96 L97 | P92-P94 VanDerWaalsContact O-CD 3.29Å; P92-P94 WeakPolarHBondContact O-CD 3.46Å; P94-D96 PolarHBondContact O-N 3.14Å; P94-L97 HydrophobicContact CB-CD1 4.08Å; P94-L97 HydrophobicContact CB-CG 4.38Å; P94-L97 HydrophobicContact CG-CD1 4.15Å; P94-L97 PolarHBondContact O-N 3.3Å | ||
| 95 | T | 62.4 | Low | 70.1 | Confident | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -15.8 | -179 | -45 | 0 | 0 | 0 | 0 | 112.2 | V93 | V93-T95 VanDerWaalsContact C-N 3.29Å; V93-T95 PolarHBondContact O-N 2.95Å; V93-T95 PolarHBondContact O-OG1 3.07Å |
| 96 | D | 69.9 | Low | 71.7 | Confident | 159 Ų | 159 | 126.8 Ų | 126.8 | 85% | 0.85 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -5 | -176.6 | -59.8 | -20.8 | 0 | 0 | 0 | 114.2 | P94 | P94-D96 PolarHBondContact O-N 3.14Š|
| 97 | L | 71.2 | Confident | 73.2 | Confident | 122 Ų | 122 | 124.3 Ų | 124.3 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -95.1 | 132.1 | 173.5 | -71 | 169.2 | 0 | 0 | 0 | 109.7 | P94 Q99 | P94-L97 HydrophobicContact CB-CD1 4.08Å; P94-L97 HydrophobicContact CB-CG 4.38Å; P94-L97 HydrophobicContact CG-CD1 4.15Å; P94-L97 PolarHBondContact O-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.44Å |
| 98 | P | 77.3 | Confident | 74.9 | Confident | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | trans | -58.4 | 130.4 | 172 | 26 | -32.9 | 0 | 0 | 0 | 108.8 | Y100 | P98-Y100 PolarHBondContact O-N 2.95Š| ||
| 99 | Q | 81 | Confident | 76.3 | Confident | 188 Ų | 188 | 120 Ų | 120 | 88% | 0.879 | 64% | 0.637 | S | S | * | * | trans | -56 | 115.9 | 175.6 | -177.8 | 174.1 | -1.4 | 0 | 0 | 108.8 | L97 S101 | L97-Q99 PolarHBondContact O-N 3.44Å; Q99-S101 PolarHBondContact O-N 2.95Å | ||
| 100 | Y | 83.3 | Confident | 77.4 | Confident | 192 Ų | 192 | 119.3 Ų | 119.3 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | trans | -67 | 107.5 | 176.2 | 177.6 | -101.8 | 0 | 0 | 0 | 109.2 | P98 P102 | P98-Y100 PolarHBondContact O-N 2.95Å; Y100-P102 HydrophobicContact CE1-CB 3.92Å | ||
| 101 | S | 84.9 | Confident | 78.4 | Confident | 95 Ų | 95 | 119.3 Ų | 119.3 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | trans | -95.4 | 112.3 | 166.7 | 57.1 | 0 | 0 | 0 | 0 | 108.2 | Q99 | Q99-S101 PolarHBondContact O-N 2.95Š| ||
| 102 | P | 88.3 | Confident | 79.1 | Confident | 91 Ų | 91 | 119.1 Ų | 119.1 | 59% | 0.591 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 146.7 | 174.1 | 26.5 | -33 | 0 | 0 | 0 | 109.8 | Y100 | Y100-P102 HydrophobicContact CE1-CB 3.92Š|
| 103 | P | 88.6 | Confident | 79.4 | Confident | 43 Ų | 43 | 119.3 Ų | 119.3 | 28% | 0.279 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 140.5 | 179.4 | 26.4 | -34.5 | 0 | 0 | 0 | 110.9 | E107 L108 | P103-E107 WeakPolarHBondContact CA-OE2 3.29Å; P103-E107 HydrophobicContact CB-CB 4.21Å; P103-E107 WeakPolarHBondContact CB-OE2 3.49Å; P103-L108 HydrophobicContact CB-CD2 4.23Å; P103-L108 HydrophobicContact CB-CG 4.34Å; P103-L108 HydrophobicContact CG-CD2 3.74Å; P103-L108 HydrophobicContact CG-CG 4.18Å |
| 104 | D | 91.9 | Very high | 79.5 | Confident | 94 Ų | 94 | 117.8 Ų | 117.8 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 158.3 | 177 | -179.3 | 35.6 | 0 | 0 | 0 | 111.2 | L106 E107 L108 | D104-L106 PolarHBondContact O-N 3.02Å; D104-E107 HydrophobicContact CB-CG 4.22Å; D104-E107 PolarHBondContact N-OE2 3.22Å; D104-E107 WeakPolarHBondContact O-CA 3.38Å; D104-E107 WeakPolarHBondContact O-CB 3.33Å; D104-E107 PolarHBondContact O-N 3.05Å; D104-L108 PolarHBondContact O-N 3.21Å |
| 105 | F | 90.1 | Very high | 79.8 | Confident | 136 Ų | 136 | 120.3 Ų | 120.3 | 60% | 0.596 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -54.4 | -40.8 | 178.2 | 178 | -103.8 | 0 | 0 | 0 | 112.2 | E107 L108 L109 | F105-E107 VanDerWaalsContact C-N 3.31Å; F105-E107 PolarHBondContact O-N 3.44Å; F105-L108 PolarHBondContact O-N 3.24Å; F105-L109 HydrophobicContact CD1-CD1 3.9Å; F105-L109 HydrophobicContact CD1-CG 4.41Å; F105-L109 HydrophobicContact CE1-CD1 3.33Å; F105-L109 HydrophobicContact CE1-CG 3.99Å; F105-L109 HydrophobicContact CE2-CG 4.47Å; F105-L109 HydrophobicContact CZ-CD1 3.75Å; F105-L109 HydrophobicContact CZ-CD2 4.26Å; F105-L109 HydrophobicContact CZ-CG 4.01Å; F105-L109 PolarHBondContact O-N 3.02Å |
| 106 | L | 91.1 | Very high | 79.8 | Confident | 107 Ų | 107 | 122.9 Ų | 122.9 | 56% | 0.56 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.5 | -32.8 | 176.6 | -63 | -179 | 0 | 0 | 0 | 112.4 | D104 L109 K110 | D104-L106 PolarHBondContact O-N 3.02Å; L106-L109 HydrophobicContact CD2-CD1 4.44Å; L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 2.89Å; L106-K110 VanDerWaalsContact O-N 3.11Å |
| 107 | E | 86.6 | Confident | 79.2 | Confident | 100 Ų | 100 | 118 Ų | 118 | 47% | 0.467 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.5 | -37.1 | 175.5 | -63 | -172.2 | 158 | 0 | 0 | 111.8 | P103 D104 F105 K110 K111 | P103-E107 WeakPolarHBondContact CA-OE2 3.29Å; P103-E107 HydrophobicContact CB-CB 4.21Å; P103-E107 WeakPolarHBondContact CB-OE2 3.49Å; D104-E107 HydrophobicContact CB-CG 4.22Å; D104-E107 PolarHBondContact N-OE2 3.22Å; D104-E107 WeakPolarHBondContact O-CA 3.38Å; D104-E107 WeakPolarHBondContact O-CB 3.33Å; D104-E107 PolarHBondContact O-N 3.05Å; F105-E107 VanDerWaalsContact C-N 3.31Å; F105-E107 PolarHBondContact O-N 3.44Å; E107-K110 PolarHBondContact O-N 3.25Å; E107-K111 WeakPolarHBondContact O-CG 3.36Å; E107-K111 PolarHBondContact O-N 2.8Å; E107-K111 VanDerWaalsContact O-N 3.14Å |
| 108 | L | 89.1 | Confident | 78.7 | Confident | 90 Ų | 90 | 118.9 Ų | 118.9 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.8 | -42.9 | 173.2 | -68.6 | 175.1 | 0 | 0 | 0 | 111.2 | P103 D104 F105 K110 K111 Q112 | P103-L108 HydrophobicContact CB-CD2 4.23Å; P103-L108 HydrophobicContact CB-CG 4.34Å; P103-L108 HydrophobicContact CG-CD2 3.74Å; P103-L108 HydrophobicContact CG-CG 4.18Å; D104-L108 PolarHBondContact O-N 3.21Å; F105-L108 PolarHBondContact O-N 3.24Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.16Å; L108-K111 CarbonylContact O-C 3.41Å; L108-K111 WeakPolarHBondContact O-CA 3.5Å; L108-K111 WeakPolarHBondContact O-CB 3.29Å; L108-K111 PolarHBondContact O-N 2.87Å; L108-K111 VanDerWaalsContact O-N 3.07Å; L108-Q112 PolarHBondContact O-N 3.03Å |
| 109 | L | 83.6 | Confident | 77.7 | Confident | 78 Ų | 78 | 121.4 Ų | 121.4 | 41% | 0.408 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.7 | -39.4 | 175.6 | -78.5 | 178.7 | 0 | 0 | 0 | 112.6 | F105 L106 K111 Q112 | F105-L109 HydrophobicContact CD1-CD1 3.9Å; F105-L109 HydrophobicContact CD1-CG 4.41Å; F105-L109 HydrophobicContact CE1-CD1 3.33Å; F105-L109 HydrophobicContact CE1-CG 3.99Å; F105-L109 HydrophobicContact CE2-CG 4.47Å; F105-L109 HydrophobicContact CZ-CD1 3.75Å; F105-L109 HydrophobicContact CZ-CD2 4.26Å; F105-L109 HydrophobicContact CZ-CG 4.01Å; F105-L109 PolarHBondContact O-N 3.02Å; L106-L109 HydrophobicContact CD2-CD1 4.44Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 3.15Å; L109-Q112 WeakPolarHBondContact O-CB 3.4Å; L109-Q112 PolarHBondContact O-N 3.07Å |
| 110 | K | 80.3 | Confident | 76.7 | Confident | 176 Ų | 176 | 118.6 Ų | 118.6 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.6 | -32 | 173.7 | -73.9 | 174.4 | -178.9 | 176.4 | 0 | 112.6 | L106 E107 L108 | L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 2.89Å; L106-K110 VanDerWaalsContact O-N 3.11Å; E107-K110 PolarHBondContact O-N 3.25Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.16Å |
| 111 | K | 80.8 | Confident | 75.6 | Confident | 140 Ų | 140 | 115.6 Ų | 115.6 | 61% | 0.609 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80.6 | -18.1 | 176.8 | -71.9 | 172.8 | -179.8 | 172.7 | 0 | 112.9 | E107 L108 L109 T113 | E107-K111 WeakPolarHBondContact O-CG 3.36Å; E107-K111 PolarHBondContact O-N 2.8Å; E107-K111 VanDerWaalsContact O-N 3.14Å; L108-K111 CarbonylContact O-C 3.41Å; L108-K111 WeakPolarHBondContact O-CA 3.5Å; L108-K111 WeakPolarHBondContact O-CB 3.29Å; L108-K111 PolarHBondContact O-N 2.87Å; L108-K111 VanDerWaalsContact O-N 3.07Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 3.15Å; K111-T113 PolarHBondContact O-N 3.02Å |
| 112 | Q | 76.1 | Confident | 74.6 | Confident | 148 Ų | 148 | 117.1 Ų | 117.1 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | trans | -70.4 | 72.4 | 172.1 | -167.3 | 178.7 | -14.3 | 0 | 0 | 109.6 | L108 L109 A114 | L108-Q112 PolarHBondContact O-N 3.03Å; L109-Q112 WeakPolarHBondContact O-CB 3.4Å; L109-Q112 PolarHBondContact O-N 3.07Å; Q112-A114 PolarHBondContact O-N 3.08Å | ||
| 113 | T | 67.9 | Low | 73.4 | Confident | 116 Ų | 116 | 118.6 Ų | 118.6 | 71% | 0.712 | 60% | 0.6 | S | S | * | * | trans | -68.6 | 126.1 | 163.9 | 44.1 | 0 | 0 | 0 | 0 | 107.3 | K111 S115 | K111-T113 PolarHBondContact O-N 3.02Å; T113-S115 PolarHBondContact O-N 3.21Å | ||
| 114 | A | 65.7 | Low | 72.3 | Confident | 70 Ų | 70 | 121.2 Ų | 121.2 | 58% | 0.579 | 63% | 0.625 | S | S | * | * | trans | -53.6 | 118.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q112 Y116 | Q112-A114 PolarHBondContact O-N 3.08Å; A114-Y116 PolarHBondContact O-N 3.48Å | ||
| 115 | S | 66.5 | Low | 70.9 | Confident | 134 Ų | 134 | 121.5 Ų | 121.5 | 94% | 0.937 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -55.9 | -19.1 | 178.3 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | T113 | T113-S115 PolarHBondContact O-N 3.21Š|
| 116 | Y | 61.7 | Low | 69.8 | Low | 182 Ų | 182 | 120.4 Ų | 120.4 | 71% | 0.714 | 63% | 0.633 | S | S | * | * | trans | -147.1 | 107.4 | 174.2 | -170.4 | -113.4 | 0 | 0 | 0 | 108.7 | A114 F118 | A114-Y116 PolarHBondContact O-N 3.48Å; Y116-F118 AromaticContact CE1-CD2 3.74Å; Y116-F118 HydrophobicContact CE1-CD2 3.74Å; Y116-F118 HydrophobicContact CE1-CE2 4.32Å; Y116-F118 AromaticContact CZ-CD2 3.79Å; Y116-F118 WeakPolarHBondContact OH-CD2 3.45Å; Y116-F118 WeakPolarHBondContact OH-CE2 3.39Å | ||
| 117 | S | 57.4 | Low | 68.6 | Low | 58 Ų | 58 | 120.6 Ų | 120.6 | 41% | 0.406 | 64% | 0.643 | S | S | . | * | trans | -105.6 | 115.2 | 164.6 | 74.8 | 0 | 0 | 0 | 0 | 107.3 | K119 | S117-K119 PolarHBondContact O-N 3.14Å; S117-K119 WeakPolarHBondContact OG-CE 3.2Å; S117-K119 PolarHBondContact OG-NZ 3.38Å | ||
| 118 | F | 60.4 | Low | 67.4 | Low | 140 Ų | 140 | 117.3 Ų | 117.3 | 61% | 0.614 | 63% | 0.63 | S | S | * | * | trans | -60.6 | 115.7 | 162.7 | -131.7 | -98.1 | 0 | 0 | 0 | 105.9 | Y116 D120 | Y116-F118 AromaticContact CE1-CD2 3.74Å; Y116-F118 HydrophobicContact CE1-CD2 3.74Å; Y116-F118 HydrophobicContact CE1-CE2 4.32Å; Y116-F118 AromaticContact CZ-CD2 3.79Å; Y116-F118 WeakPolarHBondContact OH-CD2 3.45Å; Y116-F118 WeakPolarHBondContact OH-CE2 3.39Å; F118-D120 WeakPolarHBondContact CD1-OD1 3.41Å; F118-D120 PolarHBondContact O-N 2.78Å | ||
| 119 | K | 56.4 | Low | 65.9 | Low | 171 Ų | 171 | 119 Ų | 119 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | trans | -75.1 | 80.3 | 173.6 | -66.7 | -61.1 | -174 | -169.1 | 0 | 106.1 | S117 K121 | S117-K119 PolarHBondContact O-N 3.14Å; S117-K119 WeakPolarHBondContact OG-CE 3.2Å; S117-K119 PolarHBondContact OG-NZ 3.38Å; K119-K121 PolarHBondContact O-N 3.11Å | ||
| 120 | D | 60.3 | Low | 64.8 | Low | 130 Ų | 130 | 121.2 Ų | 121.2 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | trans | -61.9 | 110.1 | 166.5 | -75.3 | -8.6 | 0 | 0 | 0 | 106.2 | F118 P122 | F118-D120 WeakPolarHBondContact CD1-OD1 3.41Å; F118-D120 PolarHBondContact O-N 2.78Å; D120-P122 WeakPolarHBondContact O-CD 3.36Å | ||
| 121 | K | 60.5 | Low | 63.7 | Low | 129 Ų | 129 | 118.9 Ų | 118.9 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 121.9 | 168.1 | -77.5 | -175 | 170.5 | -152.7 | 0 | 106.1 | K119 R123 E144 | K119-K121 PolarHBondContact O-N 3.11Å; K121-R123 PolarHBondContact O-N 3.3Å; K121-R123 VanDerWaalsContact O-N 3.13Å; K121-E144 WeakPolarHBondContact CE-OE2 3.46Å; K121-E144 IonicContact NZ-OE1 2.66Å; K121-E144 PolarHBondContact NZ-OE1 3.04Å; K121-E144 IonicContact NZ-OE2 2.6Å; K121-E144 PolarHBondContact NZ-OE2 2.65Å |
| 122 | P | 62.9 | Low | 62.5 | Low | 126 Ų | 126 | 118.3 Ų | 118.3 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 125.8 | 173.6 | 24 | -31.9 | 0 | 0 | 0 | 107.5 | D120 | D120-P122 WeakPolarHBondContact O-CD 3.36Š|
| 123 | R | 62.6 | Low | 61.9 | Low | 123 Ų | 123 | 115.2 Ų | 115.2 | 46% | 0.464 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 142.4 | 173.7 | -68.7 | -179.1 | 174.6 | -135.2 | -4.9 | 107.7 | K121 D125 D133 | K121-R123 PolarHBondContact O-N 3.3Å; K121-R123 VanDerWaalsContact O-N 3.13Å; R123-D125 PolarHBondContact O-N 3.46Å; R123-D133 IonicContact CZ-OD1 3.6Å; R123-D133 IonicContact CZ-OD2 3.76Å; R123-D133 IonicContact NH1-OD1 2.77Å; R123-D133 PolarHBondContact NH1-OD1 3.26Å; R123-D133 IonicContact NH1-OD2 3.52Å; R123-D133 IonicContact NH2-OD1 3.65Å; R123-D133 IonicContact NH2-OD2 3.05Å; R123-D133 PolarHBondContact NH2-OD2 3.36Å |
| 124 | A | 66.8 | Low | 61.6 | Low | 98 Ų | 98 | 118 Ų | 118 | 81% | 0.81 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -56.8 | -36.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 125 | D | 62.8 | Low | 61.6 | Low | 100 Ų | 100 | 119 Ų | 119 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | trans | -129.3 | 108.4 | -179.7 | -64.1 | -49.4 | 0 | 0 | 0 | 111.6 | R123 S127 T128 | R123-D125 PolarHBondContact O-N 3.46Å; D125-S127 PolarHBondContact O-N 3.28Å; D125-T128 HydrophobicContact CB-CG2 4.28Å; D125-T128 PolarHBondContact O-OG1 3.31Å | ||
| 126 | P | 65.4 | Low | 61.6 | Low | 113 Ų | 113 | 117.1 Ų | 117.1 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -71.3 | -13 | -177.6 | 28.5 | -34.8 | 0 | 0 | 0 | 113.9 | T128 | P126-T128 VanDerWaalsContact C-N 3.29Å; P126-T128 PolarHBondContact O-N 3.01Å |
| 127 | S | 66.9 | Low | 61.9 | Low | 110 Ų | 110 | 116.5 Ų | 116.5 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -78.9 | -8.4 | -178.4 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | D125 | D125-S127 PolarHBondContact O-N 3.28Š|
| 128 | T | 61.4 | Low | 62.4 | Low | 31 Ų | 31 | 118.9 Ų | 118.9 | 19% | 0.19 | 63% | 0.634 | C | S | . | * | G | 310 helix | trans | -107.2 | 25.7 | -170.3 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | D125 P126 V130 K132 | D125-T128 HydrophobicContact CB-CG2 4.28Å; D125-T128 PolarHBondContact O-OG1 3.31Å; P126-T128 VanDerWaalsContact C-N 3.29Å; P126-T128 PolarHBondContact O-N 3.01Å; T128-V130 PolarHBondContact O-N 3.49Å; T128-K132 HydrophobicContact CG2-CB 4.48Å; T128-K132 HydrophobicContact CG2-CD 3.76Å; T128-K132 HydrophobicContact CG2-CG 4.16Å |
| 129 | L | 57.9 | Low | 62.6 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 67% | 0.665 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -21.5 | -169.3 | -159.3 | 84.1 | 0 | 0 | 0 | 114.9 | ||
| 130 | V | 59.1 | Low | 63.1 | Low | 123 Ų | 123 | 114.1 Ų | 114.1 | 75% | 0.745 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -31.8 | -167.9 | -173.4 | 0 | 0 | 0 | 0 | 113.2 | T128 | T128-V130 PolarHBondContact O-N 3.49Š|
| 131 | D | 57.6 | Low | 63.1 | Low | 127 Ų | 127 | 110.7 Ų | 110.7 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | 0.4 | -162.3 | -62.1 | -37.3 | 0 | 0 | 0 | 116.1 | ||
| 132 | K | 56.8 | Low | 63.3 | Low | 129 Ų | 129 | 110.1 Ų | 110.1 | 56% | 0.561 | 63% | 0.631 | S | S | * | * | trans | -128.2 | 18.4 | -168.6 | -56 | -154 | -179.8 | -177.6 | 0 | 117.7 | T128 E134 | T128-K132 HydrophobicContact CG2-CB 4.48Å; T128-K132 HydrophobicContact CG2-CD 3.76Å; T128-K132 HydrophobicContact CG2-CG 4.16Å; K132-E134 PolarHBondContact O-N 3.45Å | ||
| 133 | D | 61.7 | Low | 63.4 | Low | 82 Ų | 82 | 112 Ų | 112 | 44% | 0.439 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -73 | -2.3 | 168.5 | -69.6 | 5.1 | 0 | 0 | 0 | 111.3 | R123 S135 L136 | R123-D133 IonicContact CZ-OD1 3.6Å; R123-D133 IonicContact CZ-OD2 3.76Å; R123-D133 IonicContact NH1-OD1 2.77Å; R123-D133 PolarHBondContact NH1-OD1 3.26Å; R123-D133 IonicContact NH1-OD2 3.52Å; R123-D133 IonicContact NH2-OD1 3.65Å; R123-D133 IonicContact NH2-OD2 3.05Å; R123-D133 PolarHBondContact NH2-OD2 3.36Å; D133-S135 VanDerWaalsContact C-N 3.28Å; D133-S135 PolarHBondContact O-N 2.84Å; D133-L136 HydrophobicContact CB-CD1 4.35Å; D133-L136 PolarHBondContact O-N 3.47Å |
| 134 | E | 63.2 | Low | 63.6 | Low | 175 Ų | 175 | 113.4 Ų | 113.4 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -56.1 | -36 | 174.4 | -66.8 | -169.8 | 162.8 | 0 | 0 | 113.7 | K132 | K132-E134 PolarHBondContact O-N 3.45Š|
| 135 | S | 65.1 | Low | 63.5 | Low | 92 Ų | 92 | 114 Ų | 114 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -89.1 | -4 | 178.7 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | D133 H137 | D133-S135 VanDerWaalsContact C-N 3.28Å; D133-S135 PolarHBondContact O-N 2.84Å; S135-H137 PolarHBondContact O-N 3.35Å |
| 136 | L | 66.6 | Low | 63.8 | Low | 94 Ų | 94 | 116.1 Ų | 116.1 | 49% | 0.492 | 64% | 0.638 | S | S | . | * | trans | -88.7 | 89.4 | 179.4 | -70.3 | 177.1 | 0 | 0 | 0 | 109.9 | D133 L138 | D133-L136 HydrophobicContact CB-CD1 4.35Å; D133-L136 PolarHBondContact O-N 3.47Å; L136-L138 PolarHBondContact O-N 3.31Å | ||
| 137 | H | 67.9 | Low | 64 | Low | 169 Ų | 169 | 116 Ų | 116 | 78% | 0.782 | 64% | 0.638 | S | S | * | * | trans | -79.3 | 67 | 173 | -58.7 | -52.1 | 0 | 0 | 0 | 111.5 | S135 | S135-H137 PolarHBondContact O-N 3.35Š| ||
| 138 | L | 68.6 | Low | 64.2 | Low | 108 Ų | 108 | 114.8 Ų | 114.8 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | trans | -96.8 | 123.7 | 171.2 | -65.6 | 171.8 | 0 | 0 | 0 | 109.2 | L136 | L136-L138 PolarHBondContact O-N 3.31Š| ||
| 139 | C | 64.2 | Low | 64.8 | Low | 75 Ų | 75 | 119.5 Ų | 119.5 | 51% | 0.507 | 67% | 0.665 | S | S | . | * | trans | -67.3 | 147.1 | 171.8 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | G141 Q142 | C139-G141 PolarHBondContact O-N 3.35Å; C139-Q142 HydrophobicContact CB-CB 4.19Å; C139-Q142 VanDerWaalsContact O-CB 3.31Å; C139-Q142 WeakPolarHBondContact O-CB 3.43Å; C139-Q142 PolarHBondContact O-N 3.2Å; C139-Q142 PolarHBondContact SG-OE1 3.17Å | ||
| 140 | P | 66.4 | Low | 65.7 | Low | 136 Ų | 136 | 119.1 Ų | 119.1 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 115.4 | 170.3 | -21.7 | 31.7 | 0 | 0 | 0 | 109.8 | ||
| 141 | G | 61.7 | Low | 66.5 | Low | 58 Ų | 58 | 118.9 Ų | 118.9 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.3 | -2.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | C139 Y143 | C139-G141 PolarHBondContact O-N 3.35Å; G141-Y143 PolarHBondContact O-N 2.86Å; G141-Y143 VanDerWaalsContact O-N 3.07Å |
| 142 | Q | 64.6 | Low | 67.2 | Low | 117 Ų | 117 | 122.7 Ų | 122.7 | 55% | 0.547 | 68% | 0.679 | S | S | . | * | trans | -87.2 | 49.5 | 177.4 | -157.4 | 163.1 | -33.8 | 0 | 0 | 111.9 | C139 | C139-Q142 HydrophobicContact CB-CB 4.19Å; C139-Q142 VanDerWaalsContact O-CB 3.31Å; C139-Q142 WeakPolarHBondContact O-CB 3.43Å; C139-Q142 PolarHBondContact O-N 3.2Å; C139-Q142 PolarHBondContact SG-OE1 3.17Å | ||
| 143 | Y | 65 | Low | 67.9 | Low | 166 Ų | 166 | 121.5 Ų | 121.5 | 65% | 0.651 | 69% | 0.687 | S | S | * | * | trans | -86.8 | 145.3 | 171.6 | -58.3 | -75.3 | 0 | 0 | 0 | 109 | G141 V145 | G141-Y143 PolarHBondContact O-N 2.86Å; G141-Y143 VanDerWaalsContact O-N 3.07Å; Y143-V145 WeakPolarHBondContact O-CG2 3.44Å; Y143-V145 PolarHBondContact O-N 3.1Å | ||
| 144 | E | 65.1 | Low | 68.3 | Low | 152 Ų | 152 | 123.3 Ų | 123.3 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | trans | -74.2 | 73.1 | 167 | -75.5 | -180 | -135.6 | 0 | 0 | 109.3 | K121 L146 | K121-E144 WeakPolarHBondContact CE-OE2 3.46Å; K121-E144 IonicContact NZ-OE1 2.66Å; K121-E144 PolarHBondContact NZ-OE1 3.04Å; K121-E144 IonicContact NZ-OE2 2.6Å; K121-E144 PolarHBondContact NZ-OE2 2.65Å; E144-L146 VanDerWaalsContact C-N 3.25Å; E144-L146 PolarHBondContact O-N 2.85Å | ||
| 145 | V | 65.1 | Low | 68.3 | Low | 111 Ų | 111 | 118.2 Ų | 118.2 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | trans | -73.3 | -22.9 | -177.4 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | Y143 | Y143-V145 WeakPolarHBondContact O-CG2 3.44Å; Y143-V145 PolarHBondContact O-N 3.1Å | ||
| 146 | L | 69.1 | Low | 68.2 | Low | 143 Ų | 143 | 126.1 Ų | 126.1 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -115.2 | 131.9 | -176.9 | -60 | 179 | 0 | 0 | 0 | 110.4 | E144 | E144-L146 VanDerWaalsContact C-N 3.25Å; E144-L146 PolarHBondContact O-N 2.85Å |
| 147 | P | 69.3 | Low | 68 | Low | 112 Ų | 112 | 124.7 Ų | 124.7 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -57.1 | 147.4 | 168.6 | 25 | -31.9 | 0 | 0 | 0 | 109.7 | ||||
| 148 | A | 72.4 | Confident | 67.5 | Low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | trans | -49.2 | 135.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V150 | A148-V150 PolarHBondContact O-N 3.2Š| ||
| 149 | P | 73.3 | Confident | 67.1 | Low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 71% | 0.71 | S | S | * | * | trans | -53.2 | 114.7 | -177.6 | -24.7 | 32 | 0 | 0 | 0 | 110.6 | ||||
| 150 | V | 77.6 | Confident | 66.7 | Low | 119 Ų | 119 | 128.6 Ų | 128.6 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | trans | -64.2 | 129.4 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | A148 K152 | A148-V150 PolarHBondContact O-N 3.2Å; V150-K152 PolarHBondContact O-N 3.49Å | ||
| 151 | P | 74.9 | Confident | 66.3 | Low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | trans | -58.2 | 117.5 | 176.7 | 23.1 | -32.5 | 0 | 0 | 0 | 109.3 | S153 | P151-S153 PolarHBondContact O-N 3.45Š| ||
| 152 | K | 72.3 | Confident | 66.2 | Low | 206 Ų | 206 | 131.9 Ų | 131.9 | 90% | 0.896 | 71% | 0.709 | S | S | * | * | trans | -79 | 105.9 | 177.6 | -63.7 | -174.1 | -178.2 | -179.9 | 0 | 108.2 | V150 | V150-K152 PolarHBondContact O-N 3.49Š| ||
| 153 | S | 72.9 | Confident | 65.9 | Low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 138.4 | 167 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | P151 A155 | P151-S153 PolarHBondContact O-N 3.45Å; S153-A155 PolarHBondContact O-N 3.13Å; S153-A155 VanDerWaalsContact O-N 3.13Å |
| 154 | P | 69.7 | Low | 65.7 | Low | 121 Ų | 121 | 127.4 Ų | 127.4 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.9 | 172.5 | 24.9 | -32.1 | 0 | 0 | 0 | 108 | R156 | P154-R156 PolarHBondContact O-N 2.93Š|
| 155 | A | 61.6 | Low | 65.4 | Low | 67 Ų | 67 | 129 Ų | 129 | 55% | 0.554 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109 | S153 S157 | S153-A155 PolarHBondContact O-N 3.13Å; S153-A155 VanDerWaalsContact O-N 3.13Å; A155-S157 PolarHBondContact O-N 3.34Å |
| 156 | R | 64.4 | Low | 65.5 | Low | 258 Ų | 258 | 134.6 Ų | 134.6 | 97% | 0.974 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -64 | -15.9 | 173.6 | -171.7 | 172.4 | 178.3 | -179.6 | -0.3 | 112.5 | P154 | P154-R156 PolarHBondContact O-N 2.93Š|
| 157 | S | 61.3 | Low | 65 | Low | 64 Ų | 64 | 136.5 Ų | 136.5 | 45% | 0.448 | 73% | 0.73 | S | S | . | * | trans | -88.9 | 120 | -177.2 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | A155 V159 | A155-S157 PolarHBondContact O-N 3.34Å; S157-V159 PolarHBondContact O-N 2.84Å; S157-V159 VanDerWaalsContact O-N 3.15Å; S157-V159 WeakPolarHBondContact OG-CG2 3.29Å; S157-V159 PolarHBondContact OG-N 3.02Å | ||
| 158 | F | 58.6 | Low | 64.8 | Low | 156 Ų | 156 | 135 Ų | 135 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -13 | 174.8 | -179.6 | -97.4 | 0 | 0 | 0 | 114 | F160 | F158-F160 VanDerWaalsContact C-N 3.3Å; F158-F160 PolarHBondContact O-N 3.4Å |
| 159 | V | 58.8 | Low | 64.2 | Low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -17.1 | -171.2 | -151.8 | 0 | 0 | 0 | 0 | 112 | S157 | S157-V159 PolarHBondContact O-N 2.84Å; S157-V159 VanDerWaalsContact O-N 3.15Å; S157-V159 WeakPolarHBondContact OG-CG2 3.29Å; S157-V159 PolarHBondContact OG-N 3.02Å |
| 160 | F | 56.1 | Low | 63.6 | Low | 151 Ų | 151 | 135.5 Ų | 135.5 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | -112.3 | 81.3 | -179.7 | -137.2 | -96.5 | 0 | 0 | 0 | 111.4 | F158 S162 | F158-F160 VanDerWaalsContact C-N 3.3Å; F158-F160 PolarHBondContact O-N 3.4Å; F160-S162 WeakPolarHBondContact CD1-OG 3.21Å; F160-S162 PolarHBondContact O-N 3.02Å | ||
| 161 | R | 57.9 | Low | 63.1 | Low | 164 Ų | 164 | 139.2 Ų | 139.2 | 62% | 0.619 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -69.7 | 22.9 | -178.4 | -67.1 | -74.4 | -164.5 | 166.1 | 15.9 | 115.1 | S163 | R161-S163 PolarHBondContact O-N 2.84Š|
| 162 | S | 60.9 | Low | 62.7 | Low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -75.7 | -8.9 | 179.9 | 70.9 | 0 | 0 | 0 | 0 | 113.9 | F160 | F160-S162 WeakPolarHBondContact CD1-OG 3.21Å; F160-S162 PolarHBondContact O-N 3.02Å |
| 163 | S | 57.4 | Low | 62.4 | Low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -94.6 | 15.8 | -179.6 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | R161 Q165 | R161-S163 PolarHBondContact O-N 2.84Å; S163-Q165 PolarHBondContact O-N 2.94Å |
| 164 | V | 60.5 | Low | 62.3 | Low | 97 Ų | 97 | 138 Ų | 138 | 59% | 0.588 | 70% | 0.702 | S | S | * | * | trans | -64.1 | 112.3 | 169.6 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | R166 | V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.46Å | ||
| 165 | Q | 60.2 | Low | 62 | Low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -56.6 | 99.4 | 173.6 | -171.4 | 172.8 | 0.2 | 0 | 0 | 107.1 | S163 F167 | S163-Q165 PolarHBondContact O-N 2.94Å; Q165-F167 PolarHBondContact O-N 2.79Å | ||
| 166 | R | 66 | Low | 62.2 | Low | 229 Ų | 229 | 140.4 Ų | 140.4 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | -63.9 | 132.8 | 173.8 | -68 | -176 | 175.7 | -129.8 | -0.5 | 106.2 | V164 | V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.46Å | ||
| 167 | F | 59.1 | Low | 62.2 | Low | 182 Ų | 182 | 137.7 Ų | 137.7 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | -36.8 | 134.1 | 173.8 | -133.7 | -98.4 | 0 | 0 | 0 | 109.7 | Q165 | Q165-F167 PolarHBondContact O-N 2.79Š| ||
| 168 | P | 65 | Low | 61.8 | Low | 81 Ų | 81 | 146.8 Ų | 146.8 | 53% | 0.526 | 75% | 0.746 | S | S | . | * | trans | -52.7 | 137.2 | -175 | 19.7 | -30.5 | 0 | 0 | 0 | 109.6 | N170 | P168-N170 PolarHBondContact O-N 2.94Š| ||
| 169 | P | 59.2 | Low | 62 | Low | 91 Ų | 91 | 146.4 Ų | 146.4 | 59% | 0.591 | 75% | 0.749 | S | S | * | * | trans | -67 | 90.2 | 171.1 | 29 | -31.6 | 0 | 0 | 0 | 106.5 | Y171 | P169-Y171 HydrophobicContact CB-CE2 4.49Å; P169-Y171 HydrophobicContact CG-CE2 4.19Å; P169-Y171 WeakPolarHBondContact O-CD2 3.36Å; P169-Y171 PolarHBondContact O-N 3.33Å | ||
| 170 | N | 62.3 | Low | 62.1 | Low | 134 Ų | 134 | 147.4 Ų | 147.4 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | -63.3 | 94.8 | 165.6 | -73.1 | -26.3 | 0 | 0 | 0 | 105.5 | P168 F172 | P168-N170 PolarHBondContact O-N 2.94Å; N170-F172 PolarHBondContact O-N 2.84Å | ||
| 171 | Y | 66.4 | Low | 62.5 | Low | 196 Ų | 196 | 147.2 Ų | 147.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -59 | 126.7 | 172.2 | -63.4 | -76.2 | 0 | 0 | 0 | 107.7 | P169 T173 | P169-Y171 HydrophobicContact CB-CE2 4.49Å; P169-Y171 HydrophobicContact CG-CE2 4.19Å; P169-Y171 WeakPolarHBondContact O-CD2 3.36Å; P169-Y171 PolarHBondContact O-N 3.33Å; Y171-T173 PolarHBondContact O-N 3.33Å | ||
| 172 | F | 65.8 | Low | 62.7 | Low | 180 Ų | 180 | 146.2 Ų | 146.2 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | -59.4 | 113.3 | 175.9 | 178.2 | -100.4 | 0 | 0 | 0 | 108.8 | N170 P174 | N170-F172 PolarHBondContact O-N 2.84Å; F172-P174 HydrophobicContact CE1-CB 3.92Å; F172-P174 WeakPolarHBondContact O-CD 3.45Å | ||
| 173 | T | 66.9 | Low | 62.9 | Low | 121 Ų | 121 | 149.1 Ų | 149.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -94 | 106.6 | 172.8 | 27.3 | 0 | 0 | 0 | 0 | 107.7 | Y171 V175 | Y171-T173 PolarHBondContact O-N 3.33Å; T173-V175 PolarHBondContact O-N 3.45Å | ||
| 174 | P | 69.8 | Low | 63.2 | Low | 102 Ų | 102 | 152.9 Ų | 152.9 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | trans | -67.8 | 125.8 | 175.5 | 26.7 | -31.8 | 0 | 0 | 0 | 109.2 | F172 S176 | F172-P174 HydrophobicContact CE1-CB 3.92Å; F172-P174 WeakPolarHBondContact O-CD 3.45Å; P174-S176 PolarHBondContact O-N 2.87Å | ||
| 175 | V | 64.8 | Low | 63.4 | Low | 134 Ų | 134 | 156.9 Ų | 156.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -74.9 | 113.4 | 174.7 | -165.9 | 0 | 0 | 0 | 0 | 108.1 | T173 K177 | T173-V175 PolarHBondContact O-N 3.45Å; V175-K177 PolarHBondContact O-N 3.42Å | ||
| 176 | S | 65.4 | Low | 63.7 | Low | 105 Ų | 105 | 154.7 Ų | 154.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -67.5 | 111.2 | 166.5 | 173.1 | 0 | 0 | 0 | 0 | 108.1 | P174 M178 | P174-S176 PolarHBondContact O-N 2.87Å; S176-M178 PolarHBondContact O-N 3.44Å | ||
| 177 | K | 62.8 | Low | 63.5 | Low | 200 Ų | 200 | 148.5 Ų | 148.5 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 118.1 | 166.7 | -74.7 | -172.5 | 176.8 | -178.3 | 0 | 108 | V175 | V175-K177 PolarHBondContact O-N 3.42Š| ||
| 178 | M | 54 | Low | 63.9 | Low | 256 Ų | 256 | 145.5 Ų | 145.5 | 100% | 1.261 | 77% | 0.77 | S | S | * | * | trans | -67.8 | 0 | 161.3 | -76.8 | -172.4 | 166.7 | 0 | 0 | 110.3 | S176 | S176-M178 PolarHBondContact O-N 3.44Š|
Retrieved 178 of 178 residues in 687 ms
(Link to these results)