| 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 | 34.8 | Very low | 35.6 | Very low | 229 Ų | 229 | 165.4 Ų | 165.4 | 100% | 1.128 | 82% | 0.816 | S | S | * | * | 0 | 119.3 | 0 | -73.7 | 169 | 173.2 | 0 | 0 | 106.5 | |||||
| 2 | L | 35.6 | Very low | 36 | Very low | 148 Ų | 148 | 161.8 Ų | 161.8 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | 63.8 | 101.9 | 107.7 | -60.2 | 172 | 0 | 0 | 0 | 111.2 | |||||
| 3 | H | 36.5 | Very low | 35.7 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | 101.8 | 139.4 | 64.9 | -105.6 | 91.5 | 0 | 0 | 0 | 111.6 | |||||
| 4 | N | 35.7 | Very low | 36.2 | Very low | 146 Ų | 146 | 162.1 Ų | 162.1 | 78% | 0.781 | 83% | 0.826 | S | S | * | * | trans | 96.3 | 146.7 | 165.7 | -53.7 | -15 | 0 | 0 | 0 | 117.9 | ||||
| 5 | H | 39.4 | Very low | 36.3 | Very low | 166 Ų | 166 | 164 Ų | 164 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | cis | -168.3 | 174.4 | -39.2 | -151.4 | 51.5 | 0 | 0 | 0 | 108.6 | ||||
| 6 | S | 34 | Very low | 36.5 | Very low | 95 Ų | 95 | 162.9 Ų | 162.9 | 66% | 0.664 | 82% | 0.82 | S | S | * | * | trans | 82.5 | 102.6 | 159.3 | -49.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 7 | D | 39.3 | Very low | 37.1 | Very low | 150 Ų | 150 | 160.5 Ų | 160.5 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | 18.5 | 136.2 | 132.7 | -60.7 | -56 | 0 | 0 | 0 | 122.7 | ||||
| 8 | E | 33.4 | Very low | 37.6 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | -162 | 147.8 | 98.8 | -110.4 | -169.3 | 132.9 | 0 | 0 | 115.1 | |||||
| 9 | L | 32.1 | Very low | 38 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 57.9 | 97.1 | 154.4 | -63.6 | 164.8 | 0 | 0 | 0 | 120.7 | ||||
| 10 | R | 32.2 | Very low | 38.7 | Very low | 250 Ų | 250 | 149.6 Ų | 149.6 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -96.9 | 119.3 | 152.6 | -80.7 | -179 | 173.3 | 159.6 | -0.9 | 110.8 | ||||
| 11 | I | 38.4 | Very low | 39.4 | Very low | 158 Ų | 158 | 147 Ų | 147 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -98.9 | 121.4 | 165.9 | -64.2 | 174.8 | 0 | 0 | 0 | 108.9 | G13 | I11-G13 PolarHBondContact O-N 2.96Š| ||
| 12 | S | 41.2 | Very low | 40.3 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -82.7 | 103.3 | 177.9 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | G | 32.1 | Very low | 41.4 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | trans | -103.2 | 101.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I11 | I11-G13 PolarHBondContact O-N 2.96Š| ||
| 14 | R | 41.7 | Very low | 42.8 | Very low | 253 Ų | 253 | 134.7 Ų | 134.7 | 96% | 0.955 | 72% | 0.718 | S | S | * | * | trans | -91.9 | 111.9 | 170.5 | -164.9 | -177.7 | -167.2 | -167 | 4.1 | 108.4 | ||||
| 15 | K | 38.3 | Very low | 44.2 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -124.4 | 118.1 | 172.7 | -83.1 | -165.3 | 173 | -173.4 | 0 | 109.7 | ||||
| 16 | M | 39.8 | Very low | 45.1 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | 92 | 102.1 | 100 | -69.7 | -66.2 | -83 | 0 | 0 | 111.2 | |||||
| 17 | S | 45.8 | Very low | 46.6 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -120.3 | 42.5 | 178.3 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 18 | G | 46.4 | Very low | 48 | Very low | 51 Ų | 51 | 131.1 Ų | 131.1 | 53% | 0.526 | 69% | 0.686 | S | S | . | * | trans | -115.8 | -12.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S20 | G18-S20 PolarHBondContact O-N 3.34Š| ||
| 19 | E | 44.8 | Very low | 49.8 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.1 | -6.5 | -172.6 | -74.7 | 160.6 | 120.3 | 0 | 0 | 114 | N23 | E19-N23 PolarHBondContact O-ND2 2.86Å |
| 20 | S | 51.9 | Low | 51.5 | Low | 76 Ų | 76 | 127.2 Ų | 127.2 | 53% | 0.531 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -82.6 | -22.6 | -175.4 | 56.3 | 0 | 0 | 0 | 0 | 115.6 | G18 K24 | G18-S20 PolarHBondContact O-N 3.34Å; S20-K24 WeakPolarHBondContact O-CE 3.34Å; S20-K24 WeakPolarHBondContact O-CG 3.42Å |
| 21 | D | 53.5 | Low | 53.3 | Low | 94 Ų | 94 | 124 Ų | 124 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -93.5 | -39.7 | 179.7 | -77.9 | -21.9 | 0 | 0 | 0 | 112.5 | N23 K24 E25 | D21-N23 PolarHBondContact O-N 3.38Å; D21-K24 WeakPolarHBondContact O-CA 3.24Å; D21-K24 WeakPolarHBondContact O-CB 3.39Å; D21-K24 PolarHBondContact O-N 2.95Å; D21-K24 WeakPolarHBondContact OD1-CE 3.38Å; D21-K24 IonicContact OD1-NZ 2.69Å; D21-K24 PolarHBondContact OD1-NZ 3.34Å; D21-E25 PolarHBondContact O-N 3.16Å |
| 22 | A | 55.4 | Low | 54.1 | Low | 60 Ų | 60 | 121.4 Ų | 121.4 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -56.5 | -34.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K24 F26 | A22-K24 VanDerWaalsContact C-N 3.34Å; A22-F26 VanDerWaalsContact O-CB 3.29Å; A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.06Å |
| 23 | N | 57.4 | Low | 55.1 | Low | 103 Ų | 103 | 122.1 Ų | 122.1 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.5 | -22.9 | 173.9 | -83.1 | -64.3 | 0 | 0 | 0 | 113.8 | E19 D21 V27 | E19-N23 PolarHBondContact O-ND2 2.86Å; D21-N23 PolarHBondContact O-N 3.38Å; N23-V27 WeakPolarHBondContact O-CG2 3.3Å; N23-V27 PolarHBondContact O-N 3.4Å |
| 24 | K | 66.1 | Low | 56.4 | Low | 121 Ų | 121 | 125.1 Ų | 125.1 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -79.6 | -47.7 | 173 | -65.3 | 170.6 | -165.3 | 159.7 | 0 | 110.6 | S20 D21 A22 F26 V27 E28 | S20-K24 WeakPolarHBondContact O-CE 3.34Å; S20-K24 WeakPolarHBondContact O-CG 3.42Å; D21-K24 WeakPolarHBondContact O-CA 3.24Å; D21-K24 WeakPolarHBondContact O-CB 3.39Å; D21-K24 PolarHBondContact O-N 2.95Å; D21-K24 WeakPolarHBondContact OD1-CE 3.38Å; D21-K24 IonicContact OD1-NZ 2.69Å; D21-K24 PolarHBondContact OD1-NZ 3.34Å; A22-K24 VanDerWaalsContact C-N 3.34Å; K24-F26 VanDerWaalsContact C-N 3.29Å; K24-F26 PolarHBondContact O-N 3.2Å; K24-V27 PolarHBondContact O-N 2.81Å; K24-V27 VanDerWaalsContact O-N 3.09Å; K24-E28 PolarHBondContact O-N 2.74Å |
| 25 | E | 64.6 | Low | 57 | Low | 135 Ų | 135 | 118.5 Ų | 118.5 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.7 | -44.9 | 176.2 | -69.3 | -179.3 | 146.9 | 0 | 0 | 110.6 | D21 V27 E28 Q29 | D21-E25 PolarHBondContact O-N 3.16Å; E25-V27 PolarHBondContact O-N 3.04Å; E25-E28 PolarHBondContact O-N 2.9Å; E25-Q29 WeakPolarHBondContact O-CB 3.1Å; E25-Q29 PolarHBondContact O-N 3.05Å |
| 26 | F | 59.5 | Low | 57.6 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61 | -39.6 | 175.6 | -175.3 | -100.9 | 0 | 0 | 0 | 113.3 | A22 K24 Q29 L30 | A22-F26 VanDerWaalsContact O-CB 3.29Å; A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.06Å; K24-F26 VanDerWaalsContact C-N 3.29Å; K24-F26 PolarHBondContact O-N 3.2Å; F26-Q29 PolarHBondContact O-N 3.11Å; F26-L30 WeakPolarHBondContact O-CB 3.15Å; F26-L30 PolarHBondContact O-N 2.87Å |
| 27 | V | 65.9 | Low | 57.9 | Low | 91 Ų | 91 | 111.7 Ų | 111.7 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.4 | -36.4 | 178.1 | 168.6 | 0 | 0 | 0 | 0 | 111.9 | N23 K24 E25 R31 | N23-V27 WeakPolarHBondContact O-CG2 3.3Å; N23-V27 PolarHBondContact O-N 3.4Å; K24-V27 PolarHBondContact O-N 2.81Å; K24-V27 VanDerWaalsContact O-N 3.09Å; E25-V27 PolarHBondContact O-N 3.04Å; V27-R31 WeakPolarHBondContact O-CB 3.47Å; V27-R31 PolarHBondContact O-N 2.69Å |
| 28 | E | 68.1 | Low | 58 | Low | 133 Ų | 133 | 112.7 Ų | 112.7 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.3 | -39.2 | 171.7 | -72.3 | -167.4 | 150.5 | 0 | 0 | 111.7 | K24 E25 R31 M32 | K24-E28 PolarHBondContact O-N 2.74Å; E25-E28 PolarHBondContact O-N 2.9Å; E28-R31 PolarHBondContact O-N 3.38Å; E28-M32 WeakPolarHBondContact O-CG 3.29Å; E28-M32 PolarHBondContact O-N 3.4Å |
| 29 | Q | 69.9 | Low | 57.8 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 175.9 | -165 | 170.6 | 35.4 | 0 | 0 | 111.3 | E25 F26 R31 M32 Q33 | E25-Q29 WeakPolarHBondContact O-CB 3.1Å; E25-Q29 PolarHBondContact O-N 3.05Å; F26-Q29 PolarHBondContact O-N 3.11Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.85Å; Q29-M32 PolarHBondContact O-N 3.09Å; Q29-Q33 WeakPolarHBondContact O-CB 3.39Å; Q29-Q33 PolarHBondContact O-N 2.94Å |
| 30 | L | 68.3 | Low | 57.6 | Low | 105 Ų | 105 | 120.9 Ų | 120.9 | 55% | 0.55 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.5 | -41.2 | 173 | -157.3 | 80.2 | 0 | 0 | 0 | 111.6 | F26 Q33 E34 | F26-L30 WeakPolarHBondContact O-CB 3.15Å; F26-L30 PolarHBondContact O-N 2.87Å; L30-Q33 WeakPolarHBondContact O-CB 3.31Å; L30-Q33 PolarHBondContact O-N 3.04Å; L30-E34 WeakPolarHBondContact O-CB 3.31Å; L30-E34 PolarHBondContact O-N 2.93Å |
| 31 | R | 69.5 | Low | 57.4 | Low | 184 Ų | 184 | 122.8 Ų | 122.8 | 69% | 0.694 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.8 | -35.5 | 177.1 | -171 | 179.6 | -175.5 | -177.9 | 1.5 | 112.7 | V27 E28 Q29 L35 | V27-R31 WeakPolarHBondContact O-CB 3.47Å; V27-R31 PolarHBondContact O-N 2.69Å; E28-R31 PolarHBondContact O-N 3.38Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.85Å; R31-L35 PolarHBondContact O-N 3Å; R31-L35 VanDerWaalsContact O-N 3.16Å |
| 32 | M | 56.7 | Low | 57.2 | Low | 103 Ų | 103 | 125.4 Ų | 125.4 | 51% | 0.507 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.6 | -43.5 | 170.4 | -74.5 | -145.9 | -65.7 | 0 | 0 | 111.2 | E28 Q29 E34 L35 Y36 | E28-M32 WeakPolarHBondContact O-CG 3.29Å; E28-M32 PolarHBondContact O-N 3.4Å; Q29-M32 PolarHBondContact O-N 3.09Å; M32-E34 VanDerWaalsContact C-N 3.26Å; M32-E34 PolarHBondContact O-N 2.84Å; M32-L35 CarbonylContact O-C 3.57Å; M32-L35 WeakPolarHBondContact O-CA 3.21Å; M32-L35 VanDerWaalsContact O-CB 3.3Å; M32-L35 WeakPolarHBondContact O-CB 3.47Å; M32-L35 PolarHBondContact O-N 3.49Å; M32-Y36 WeakPolarHBondContact O-CD2 3.48Å; M32-Y36 PolarHBondContact O-N 2.92Å |
| 33 | Q | 62.5 | Low | 57 | Low | 136 Ų | 136 | 126.5 Ų | 126.5 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -56.8 | -40.4 | 175.6 | -163 | 85.4 | 18 | 0 | 0 | 111.8 | Q29 L30 Y36 G37 | Q29-Q33 WeakPolarHBondContact O-CB 3.39Å; Q29-Q33 PolarHBondContact O-N 2.94Å; L30-Q33 WeakPolarHBondContact O-CB 3.31Å; L30-Q33 PolarHBondContact O-N 3.04Å; Q33-Y36 PolarHBondContact O-N 3.5Å; Q33-G37 PolarHBondContact O-N 3.33Å |
| 34 | E | 58.8 | Low | 56.7 | Low | 140 Ų | 140 | 126 Ų | 126 | 65% | 0.654 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.5 | -32 | 177.3 | -163.7 | 166.2 | -141.7 | 0 | 0 | 112.4 | L30 M32 G37 Q38 | L30-E34 WeakPolarHBondContact O-CB 3.31Å; L30-E34 PolarHBondContact O-N 2.93Å; M32-E34 VanDerWaalsContact C-N 3.26Å; M32-E34 PolarHBondContact O-N 2.84Å; E34-G37 PolarHBondContact O-N 2.81Å; E34-Q38 PolarHBondContact O-N 3.38Å |
| 35 | L | 53.1 | Low | 56.3 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 60% | 0.597 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.1 | -44.9 | 169.7 | -106.8 | 154.2 | 0 | 0 | 0 | 112.5 | R31 M32 G37 Q38 | R31-L35 PolarHBondContact O-N 3Å; R31-L35 VanDerWaalsContact O-N 3.16Å; M32-L35 CarbonylContact O-C 3.57Å; M32-L35 WeakPolarHBondContact O-CA 3.21Å; M32-L35 VanDerWaalsContact O-CB 3.3Å; M32-L35 WeakPolarHBondContact O-CB 3.47Å; M32-L35 PolarHBondContact O-N 3.49Å; L35-G37 PolarHBondContact O-N 3.26Å; L35-Q38 PolarHBondContact O-N 3.29Å |
| 36 | Y | 51.4 | Low | 56.4 | Low | 135 Ų | 135 | 122.5 Ų | 122.5 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.5 | -28.2 | 171.3 | -79.1 | -72.7 | 0 | 0 | 0 | 112.4 | M32 Q33 Q38 Y47 | M32-Y36 WeakPolarHBondContact O-CD2 3.48Å; M32-Y36 PolarHBondContact O-N 2.92Å; Q33-Y36 PolarHBondContact O-N 3.5Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Y36-Y47 HydrophobicContact CE1-CE2 4.42Å |
| 37 | G | 46.9 | Very low | 56.7 | Low | 59 Ų | 59 | 120.9 Ų | 120.9 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.3 | -21.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q33 E34 L35 R39 | Q33-G37 PolarHBondContact O-N 3.33Å; E34-G37 PolarHBondContact O-N 2.81Å; L35-G37 PolarHBondContact O-N 3.26Å; G37-R39 VanDerWaalsContact C-N 3.28Å; G37-R39 PolarHBondContact O-N 2.96Å |
| 38 | Q | 47.3 | Very low | 57.1 | Low | 142 Ų | 142 | 118.4 Ų | 118.4 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | trans | -81.2 | 74.1 | 177.7 | -73.3 | -172.9 | -0.6 | 0 | 0 | 111.6 | E34 L35 Y36 N40 | E34-Q38 PolarHBondContact O-N 3.38Å; L35-Q38 PolarHBondContact O-N 3.29Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Q38-N40 PolarHBondContact O-N 3.34Å | ||
| 39 | R | 41.4 | Very low | 57.4 | Low | 240 Ų | 240 | 117.1 Ų | 117.1 | 91% | 0.906 | 62% | 0.615 | S | S | * | * | trans | -54.6 | 108.6 | 166.3 | -102.7 | 178.5 | 158.5 | 173 | -6.2 | 110.8 | G37 | G37-R39 VanDerWaalsContact C-N 3.28Å; G37-R39 PolarHBondContact O-N 2.96Å | ||
| 40 | N | 41.1 | Very low | 57.8 | Low | 120 Ų | 120 | 115 Ų | 115 | 64% | 0.642 | 61% | 0.61 | S | S | * | * | trans | -66 | 141.7 | 162.6 | -70.9 | -42.9 | 0 | 0 | 0 | 109.4 | Q38 D42 | Q38-N40 PolarHBondContact O-N 3.34Å; N40-D42 PolarHBondContact O-N 2.82Å | ||
| 41 | A | 47.9 | Very low | 58.1 | Low | 116 Ų | 116 | 111.7 Ų | 111.7 | 96% | 0.959 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 13.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 42 | D | 49.1 | Very low | 58.2 | Low | 149 Ų | 149 | 108.3 Ų | 108.3 | 80% | 0.797 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 17.5 | -169.3 | -151.9 | 24.2 | 0 | 0 | 0 | 113.9 | N40 S44 | N40-D42 PolarHBondContact O-N 2.82Å; D42-S44 PolarHBondContact O-N 2.88Å |
| 43 | G | 51 | Low | 58.7 | Low | 83 Ų | 83 | 109.3 Ų | 109.3 | 86% | 0.856 | 61% | 0.606 | S | S | * | * | trans | 68.6 | -13.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 44 | S | 52 | Low | 59.1 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | trans | -82.3 | 126.6 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 111 | D42 | D42-S44 PolarHBondContact O-N 2.88Š| ||
| 45 | D | 58.2 | Low | 59.6 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | trans | -77.9 | 126.6 | -176.9 | -151.9 | -1.7 | 0 | 0 | 0 | 109.9 | Y47 T48 | D45-Y47 PolarHBondContact O-N 2.98Å; D45-T48 PolarHBondContact O-N 3.22Å; D45-T48 VanDerWaalsContact O-N 3.11Å; D45-T48 PolarHBondContact O-OG1 3.36Å | ||
| 46 | P | 65.4 | Low | 60.7 | Low | 88 Ų | 88 | 100.7 Ų | 100.7 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -9.9 | -169.2 | -26.8 | 35.5 | 0 | 0 | 0 | 116.6 | ||
| 47 | Y | 66.6 | Low | 62.2 | Low | 88 Ų | 88 | 96.1 Ų | 96.1 | 35% | 0.345 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.9 | 16.4 | -176 | -64.8 | -68.7 | 0 | 0 | 0 | 113.6 | Y36 D45 W60 H62 W67 | Y36-Y47 HydrophobicContact CE1-CE2 4.42Å; D45-Y47 PolarHBondContact O-N 2.98Å; Y47-W60 HydrophobicContact CD1-CB 4.21Å; Y47-W60 AromaticContact CD1-CD1 3.94Å; Y47-W60 HydrophobicContact CD1-CG 4.36Å; Y47-W60 PolarHBondContact O-N 3.43Å; Y47-H62 AromaticContact CD1-CE1 3.99Å; Y47-H62 AromaticContact CD1-NE2 3.38Å; Y47-H62 WeakPolarHBondContact CD1-NE2 3.41Å; Y47-H62 AromaticContact CE1-CE1 3.39Å; Y47-H62 WeakPolarHBondContact CE1-CE1 3.46Å; Y47-H62 AromaticContact CE1-NE2 3.24Å; Y47-H62 WeakPolarHBondContact CE1-NE2 3.41Å; Y47-H62 AromaticContact CE2-NE2 3.92Å; Y47-H62 AromaticContact CG-NE2 3.8Å; Y47-H62 AromaticContact CZ-CE1 3.57Å; Y47-H62 AromaticContact CZ-NE2 3.51Å; Y47-W67 WeakPolarHBondContact O-CZ3 3.33Å |
| 48 | T | 73.9 | Confident | 63.8 | Low | 39 Ų | 39 | 95.9 Ų | 95.9 | 24% | 0.239 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 133.2 | 169.2 | 27.8 | 0 | 0 | 0 | 0 | 111.9 | D45 V57 Y58 K70 | D45-T48 PolarHBondContact O-N 3.22Å; D45-T48 VanDerWaalsContact O-N 3.11Å; D45-T48 PolarHBondContact O-OG1 3.36Å; T48-V57 HydrophobicContact CG2-CG1 4.1Å; T48-Y58 CarbonylContact C-O 3.57Å; T48-Y58 VanDerWaalsContact CA-O 3.29Å; T48-Y58 WeakPolarHBondContact CA-O 3.19Å; T48-K70 HydrophobicContact CG2-CD 3.96Å |
| 49 | Y | 75.3 | Confident | 65.5 | Low | 107 Ų | 107 | 91.7 Ų | 91.7 | 42% | 0.42 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.4 | 177.8 | 169.9 | -95.8 | 0 | 0 | 0 | 109.8 | D51 Y58 W67 | Y49-D51 HydrophobicContact CE1-CB 4.13Å; Y49-Y58 HydrophobicContact CD1-CD2 4.31Å; Y49-Y58 PolarHBondContact N-O 3.02Å; Y49-Y58 PolarHBondContact O-N 3.04Å; Y49-W67 VanDerWaalsContact CB-CZ3 3.49Å |
| 50 | T | 77.9 | Confident | 67.3 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.7 | 175.6 | -51.1 | 0 | 0 | 0 | 0 | 109.5 | V57 | T50-V57 HydrophobicContact CG2-CG2 4.03Å |
| 51 | D | 74.2 | Confident | 69.3 | Low | 37 Ų | 37 | 79.9 Ų | 79.9 | 20% | 0.198 | 48% | 0.483 | C | S | . | . | trans | -72.5 | 124 | 177.7 | -163.6 | -62 | 0 | 0 | 0 | 110.6 | Y49 V53 G55 T56 Y58 | Y49-D51 HydrophobicContact CE1-CB 4.13Å; D51-V53 VanDerWaalsContact C-N 3.27Å; D51-V53 PolarHBondContact O-N 2.92Å; D51-V53 WeakPolarHBondContact OD1-CB 3.39Å; D51-V53 PolarHBondContact OD1-N 2.87Å; D51-G55 VanDerWaalsContact O-CA 3.31Å; D51-G55 WeakPolarHBondContact O-CA 3.46Å; D51-G55 PolarHBondContact O-N 3.05Å; D51-T56 PolarHBondContact N-O 2.93Å; D51-Y58 HydrophobicContact CB-CE2 4.04Å | ||
| 52 | P | 71.9 | Confident | 70.2 | Confident | 113 Ų | 113 | 78 Ų | 78 | 73% | 0.734 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -10.4 | -177.1 | 31.1 | -36.8 | 0 | 0 | 0 | 114.6 | ||
| 53 | V | 67.8 | Low | 71.1 | Confident | 123 Ų | 123 | 79.4 Ų | 79.4 | 75% | 0.745 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -45.7 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | D51 | D51-V53 VanDerWaalsContact C-N 3.27Å; D51-V53 PolarHBondContact O-N 2.92Å; D51-V53 WeakPolarHBondContact OD1-CB 3.39Å; D51-V53 PolarHBondContact OD1-N 2.87Å |
| 54 | D | 69.1 | Low | 72.3 | Confident | 114 Ų | 114 | 81.7 Ų | 81.7 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -5.9 | -170.1 | -61.8 | -18.9 | 0 | 0 | 0 | 113.4 | T56 | D54-T56 PolarHBondContact O-N 3.32Š|
| 55 | G | 70.1 | Confident | 73.7 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | trans | 66.4 | 2.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D51 | D51-G55 VanDerWaalsContact O-CA 3.31Å; D51-G55 WeakPolarHBondContact O-CA 3.46Å; D51-G55 PolarHBondContact O-N 3.05Å | ||
| 56 | T | 76.2 | Confident | 74.8 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | trans | -77.2 | 129.6 | -176.2 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | D51 D54 Y58 P69 | D51-T56 PolarHBondContact N-O 2.93Å; D54-T56 PolarHBondContact O-N 3.32Å; T56-Y58 HydrophobicContact CG2-CD2 4.37Å; T56-Y58 HydrophobicContact CG2-CE2 3.8Å; T56-Y58 VanDerWaalsContact O-CD2 3.31Å; T56-Y58 WeakPolarHBondContact O-CD2 3.43Å; T56-Y58 WeakPolarHBondContact O-CE2 3.48Å; T56-P69 HydrophobicContact CG2-CB 4.26Å | ||
| 57 | V | 82.4 | Confident | 75.5 | Confident | 39 Ų | 39 | 83.1 Ų | 83.1 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 137.1 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | T48 T50 K70 | T48-V57 HydrophobicContact CG2-CG1 4.1Å; T50-V57 HydrophobicContact CG2-CG2 4.03Å; V57-K70 HydrophobicContact CB-CB 4.38Å; V57-K70 HydrophobicContact CG1-CB 4.38Å; V57-K70 HydrophobicContact CG1-CD 4.32Å; V57-K70 WeakPolarHBondContact O-CB 3.5Å; V57-K70 PolarHBondContact O-N 3.4Å |
| 58 | Y | 81.6 | Confident | 76.1 | Confident | 55 Ų | 55 | 83.2 Ų | 83.2 | 22% | 0.216 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.7 | 177.6 | -64.7 | -104.2 | 0 | 0 | 0 | 110.2 | T48 Y49 D51 T56 W67 F68 P69 | T48-Y58 CarbonylContact C-O 3.57Å; T48-Y58 VanDerWaalsContact CA-O 3.29Å; T48-Y58 WeakPolarHBondContact CA-O 3.19Å; Y49-Y58 HydrophobicContact CD1-CD2 4.31Å; Y49-Y58 PolarHBondContact N-O 3.02Å; Y49-Y58 PolarHBondContact O-N 3.04Å; D51-Y58 HydrophobicContact CB-CE2 4.04Å; T56-Y58 HydrophobicContact CG2-CD2 4.37Å; T56-Y58 HydrophobicContact CG2-CE2 3.8Å; T56-Y58 VanDerWaalsContact O-CD2 3.31Å; T56-Y58 WeakPolarHBondContact O-CD2 3.43Å; T56-Y58 WeakPolarHBondContact O-CE2 3.48Å; Y58-W67 HydrophobicContact CD1-CB 4.3Å; Y58-F68 CarbonylContact C-O 3.53Å; Y58-F68 WeakPolarHBondContact CA-O 3.47Å; Y58-P69 HydrophobicContact CD1-CB 4.37Å; Y58-P69 HydrophobicContact CD1-CG 4.09Å; Y58-P69 HydrophobicContact CE1-CB 4.21Å; Y58-P69 HydrophobicContact CE1-CG 3.68Å |
| 59 | D | 83.3 | Confident | 76.3 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 144.1 | 173.6 | -130 | -29.5 | 0 | 0 | 0 | 109.8 | W67 F68 K70 | D59-W67 WeakPolarHBondContact O-CA 3.3Å; D59-F68 PolarHBondContact N-O 2.87Å; D59-F68 PolarHBondContact O-N 2.89Å; D59-K70 HydrophobicContact CB-CD 4.38Å; D59-K70 IonicContact OD1-NZ 2.75Å; D59-K70 WeakPolarHBondContact OD2-CD 3.23Å; D59-K70 WeakPolarHBondContact OD2-CE 3.22Å; D59-K70 IonicContact OD2-NZ 3.11Å; D59-K70 PolarHBondContact OD2-NZ 2.79Å |
| 60 | W | 78.4 | Confident | 76.4 | Confident | 74 Ų | 74 | 83.4 Ų | 83.4 | 28% | 0.28 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 111.7 | 179.4 | 178.8 | -101.1 | 0 | 0 | 0 | 112 | Y47 H62 K65 A66 W67 | Y47-W60 HydrophobicContact CD1-CB 4.21Å; Y47-W60 AromaticContact CD1-CD1 3.94Å; Y47-W60 HydrophobicContact CD1-CG 4.36Å; Y47-W60 PolarHBondContact O-N 3.43Å; W60-H62 AromaticContact CD1-CD2 3.54Å; W60-H62 AromaticContact CD1-CE1 3.91Å; W60-H62 AromaticContact CD1-CG 3.9Å; W60-H62 AromaticContact CD1-NE2 3.56Å; W60-H62 PolarHBondContact O-N 3.44Å; W60-K65 HydrophobicContact CH2-CB 4.22Å; W60-K65 WeakPolarHBondContact CH2-O 3.32Å; W60-K65 HydrophobicContact CZ2-CB 3.93Å; W60-A66 VanDerWaalsContact CE3-C 3.43Å; W60-W67 HydrophobicContact CB-CD2 4.21Å; W60-W67 HydrophobicContact CB-CE3 3.89Å; W60-W67 HydrophobicContact CB-CH2 3.92Å; W60-W67 HydrophobicContact CB-CZ2 4.22Å; W60-W67 HydrophobicContact CB-CZ3 3.75Å; W60-W67 HydrophobicContact CE3-CB 4.49Å; W60-W67 AromaticContact CE3-CD1 3.5Å; W60-W67 AromaticContact CE3-CD2 3.74Å; W60-W67 HydrophobicContact CE3-CD2 3.74Å; W60-W67 AromaticContact CE3-CE2 3.58Å; W60-W67 AromaticContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CZ2 4.27Å; W60-W67 AromaticContact CE3-NE1 3.41Å; W60-W67 AromaticContact CZ3-CD1 3.57Å; W60-W67 HydrophobicContact CZ3-CG 4.15Å; W60-W67 AromaticContact CZ3-NE1 3.62Å |
| 61 | D | 82.3 | Confident | 76.1 | Confident | 37 Ų | 37 | 85.7 Ų | 85.7 | 20% | 0.198 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 111.7 | 172.9 | -177.8 | -27.8 | 0 | 0 | 0 | 109.7 | E63 K64 K65 A66 F68 | D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 PolarHBondContact OD1-N 2.98Å; D61-K64 HydrophobicContact CB-CB 4.34Å; D61-K64 PolarHBondContact OD1-N 3.4Å; D61-K64 WeakPolarHBondContact OD2-CD 3.25Å; D61-K64 WeakPolarHBondContact OD2-CG 3.21Å; D61-K64 IonicContact OD2-NZ 3.82Å; D61-K64 PolarHBondContact OD2-NZ 2.98Å; D61-K65 VanDerWaalsContact O-CA 3.25Å; D61-K65 WeakPolarHBondContact O-CA 3.18Å; D61-K65 PolarHBondContact O-N 2.79Å; D61-A66 PolarHBondContact N-O 3.02Å; D61-A66 PolarHBondContact O-N 2.81Å; D61-F68 HydrophobicContact CB-CD2 3.58Å; D61-F68 HydrophobicContact CB-CE2 3.69Å |
| 62 | H | 67.4 | Low | 75.8 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -28.1 | -179.3 | -78.8 | -101.7 | 0 | 0 | 0 | 114.3 | Y47 W60 | Y47-H62 AromaticContact CD1-CE1 3.99Å; Y47-H62 AromaticContact CD1-NE2 3.38Å; Y47-H62 WeakPolarHBondContact CD1-NE2 3.41Å; Y47-H62 AromaticContact CE1-CE1 3.39Å; Y47-H62 WeakPolarHBondContact CE1-CE1 3.46Å; Y47-H62 AromaticContact CE1-NE2 3.24Å; Y47-H62 WeakPolarHBondContact CE1-NE2 3.41Å; Y47-H62 AromaticContact CE2-NE2 3.92Å; Y47-H62 AromaticContact CG-NE2 3.8Å; Y47-H62 AromaticContact CZ-CE1 3.57Å; Y47-H62 AromaticContact CZ-NE2 3.51Å; W60-H62 AromaticContact CD1-CD2 3.54Å; W60-H62 AromaticContact CD1-CE1 3.91Å; W60-H62 AromaticContact CD1-CG 3.9Å; W60-H62 AromaticContact CD1-NE2 3.56Å; W60-H62 PolarHBondContact O-N 3.44Å |
| 63 | E | 68.9 | Low | 75.3 | Confident | 178 Ų | 178 | 89.2 Ų | 89.2 | 83% | 0.832 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -41.5 | 178.2 | -62 | -172.5 | 160.7 | 0 | 0 | 110.2 | D61 | D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 PolarHBondContact OD1-N 2.98Å |
| 64 | K | 76.4 | Confident | 75.2 | Confident | 130 Ų | 130 | 89.9 Ų | 89.9 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -12.2 | -178 | -57.7 | -172.5 | -166.1 | 86.6 | 0 | 113.8 | D61 A66 F68 | D61-K64 HydrophobicContact CB-CB 4.34Å; D61-K64 PolarHBondContact OD1-N 3.4Å; D61-K64 WeakPolarHBondContact OD2-CD 3.25Å; D61-K64 WeakPolarHBondContact OD2-CG 3.21Å; D61-K64 IonicContact OD2-NZ 3.82Å; D61-K64 PolarHBondContact OD2-NZ 2.98Å; K64-A66 VanDerWaalsContact C-N 3.32Å; K64-A66 PolarHBondContact O-N 3.38Å; K64-F68 HydrophobicContact CB-CE2 4.01Å; K64-F68 HydrophobicContact CB-CZ 4.35Å; K64-F68 HydrophobicContact CD-CE2 4.01Å; K64-F68 HydrophobicContact CD-CZ 3.77Å |
| 65 | K | 79.5 | Confident | 75.1 | Confident | 161 Ų | 161 | 89.7 Ų | 89.7 | 70% | 0.7 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.1 | -177.1 | -59 | 178.8 | -177.3 | 175.6 | 0 | 112.3 | W60 D61 | W60-K65 HydrophobicContact CH2-CB 4.22Å; W60-K65 WeakPolarHBondContact CH2-O 3.32Å; W60-K65 HydrophobicContact CZ2-CB 3.93Å; D61-K65 VanDerWaalsContact O-CA 3.25Å; D61-K65 WeakPolarHBondContact O-CA 3.18Å; D61-K65 PolarHBondContact O-N 2.79Å |
| 66 | A | 82.7 | Confident | 75.3 | Confident | 35 Ų | 35 | 90.7 Ų | 90.7 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 152.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W60 D61 K64 F68 | W60-A66 VanDerWaalsContact CE3-C 3.43Å; D61-A66 PolarHBondContact N-O 3.02Å; D61-A66 PolarHBondContact O-N 2.81Å; K64-A66 VanDerWaalsContact C-N 3.32Å; K64-A66 PolarHBondContact O-N 3.38Å; A66-F68 HydrophobicContact CB-CD2 4.47Å; A66-F68 HydrophobicContact CB-CE2 3.82Å; A66-F68 HydrophobicContact CB-CZ 4.31Å; A66-F68 WeakPolarHBondContact O-CD2 3.43Å |
| 67 | W | 80.3 | Confident | 75.1 | Confident | 110 Ų | 110 | 90.9 Ų | 90.9 | 42% | 0.417 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.5 | 172.4 | -70 | 102.7 | 0 | 0 | 0 | 110 | Y47 Y49 Y58 D59 W60 | Y47-W67 WeakPolarHBondContact O-CZ3 3.33Å; Y49-W67 VanDerWaalsContact CB-CZ3 3.49Å; Y58-W67 HydrophobicContact CD1-CB 4.3Å; D59-W67 WeakPolarHBondContact O-CA 3.3Å; W60-W67 HydrophobicContact CB-CD2 4.21Å; W60-W67 HydrophobicContact CB-CE3 3.89Å; W60-W67 HydrophobicContact CB-CH2 3.92Å; W60-W67 HydrophobicContact CB-CZ2 4.22Å; W60-W67 HydrophobicContact CB-CZ3 3.75Å; W60-W67 HydrophobicContact CE3-CB 4.49Å; W60-W67 AromaticContact CE3-CD1 3.5Å; W60-W67 AromaticContact CE3-CD2 3.74Å; W60-W67 HydrophobicContact CE3-CD2 3.74Å; W60-W67 AromaticContact CE3-CE2 3.58Å; W60-W67 AromaticContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CZ2 4.27Å; W60-W67 AromaticContact CE3-NE1 3.41Å; W60-W67 AromaticContact CZ3-CD1 3.57Å; W60-W67 HydrophobicContact CZ3-CG 4.15Å; W60-W67 AromaticContact CZ3-NE1 3.62Å |
| 68 | F | 77.8 | Confident | 74.5 | Confident | 90 Ų | 90 | 91.6 Ų | 91.6 | 40% | 0.395 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.2 | 177 | -74 | -87.4 | 0 | 0 | 0 | 110.9 | Y58 D59 D61 K64 A66 K70 | Y58-F68 CarbonylContact C-O 3.53Å; Y58-F68 WeakPolarHBondContact CA-O 3.47Å; D59-F68 PolarHBondContact N-O 2.87Å; D59-F68 PolarHBondContact O-N 2.89Å; D61-F68 HydrophobicContact CB-CD2 3.58Å; D61-F68 HydrophobicContact CB-CE2 3.69Å; K64-F68 HydrophobicContact CB-CE2 4.01Å; K64-F68 HydrophobicContact CB-CZ 4.35Å; K64-F68 HydrophobicContact CD-CE2 4.01Å; K64-F68 HydrophobicContact CD-CZ 3.77Å; A66-F68 HydrophobicContact CB-CD2 4.47Å; A66-F68 HydrophobicContact CB-CE2 3.82Å; A66-F68 HydrophobicContact CB-CZ 4.31Å; A66-F68 WeakPolarHBondContact O-CD2 3.43Å; F68-K70 PolarHBondContact O-N 2.99Å |
| 69 | P | 79.8 | Confident | 74.1 | Confident | 73 Ų | 73 | 95.7 Ų | 95.7 | 47% | 0.474 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 123.8 | 176.2 | -18.9 | 28.5 | 0 | 0 | 0 | 110.7 | T56 Y58 I71 | T56-P69 HydrophobicContact CG2-CB 4.26Å; Y58-P69 HydrophobicContact CD1-CB 4.37Å; Y58-P69 HydrophobicContact CD1-CG 4.09Å; Y58-P69 HydrophobicContact CE1-CB 4.21Å; Y58-P69 HydrophobicContact CE1-CG 3.68Å; P69-I71 PolarHBondContact O-N 2.86Å |
| 70 | K | 76 | Confident | 73.7 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 34% | 0.335 | 49% | 0.485 | S | S | . | . | trans | -76.6 | 113.5 | 177.8 | -164.5 | 164 | -171.6 | 147.6 | 0 | 107.8 | T48 V57 D59 F68 T72 | T48-K70 HydrophobicContact CG2-CD 3.96Å; V57-K70 HydrophobicContact CB-CB 4.38Å; V57-K70 HydrophobicContact CG1-CB 4.38Å; V57-K70 HydrophobicContact CG1-CD 4.32Å; V57-K70 WeakPolarHBondContact O-CB 3.5Å; V57-K70 PolarHBondContact O-N 3.4Å; D59-K70 HydrophobicContact CB-CD 4.38Å; D59-K70 IonicContact OD1-NZ 2.75Å; D59-K70 WeakPolarHBondContact OD2-CD 3.23Å; D59-K70 WeakPolarHBondContact OD2-CE 3.22Å; D59-K70 IonicContact OD2-NZ 3.11Å; D59-K70 PolarHBondContact OD2-NZ 2.79Å; F68-K70 PolarHBondContact O-N 2.99Å; K70-T72 VanDerWaalsContact C-N 3.28Å; K70-T72 HydrophobicContact CG-CG2 4.32Å; K70-T72 PolarHBondContact O-N 2.83Å | ||
| 71 | I | 71.8 | Confident | 73.3 | Confident | 126 Ų | 126 | 99.6 Ų | 99.6 | 65% | 0.646 | 51% | 0.505 | S | S | * | . | trans | -72 | 87.4 | 178.1 | -55.7 | 172.9 | 0 | 0 | 0 | 107.8 | P69 F75 I76 | P69-I71 PolarHBondContact O-N 2.86Å; I71-F75 HydrophobicContact CG2-CD1 4.23Å; I71-I76 HydrophobicContact CG2-CD1 3.89Å; I71-I76 HydrophobicContact CG2-CG1 3.68Å | ||
| 72 | T | 68.8 | Low | 72.7 | Confident | 54 Ų | 54 | 104.5 Ų | 104.5 | 33% | 0.331 | 53% | 0.531 | S | S | . | . | trans | -83 | 161 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | K70 D74 F75 I76 | K70-T72 VanDerWaalsContact C-N 3.28Å; K70-T72 HydrophobicContact CG-CG2 4.32Å; K70-T72 PolarHBondContact O-N 2.83Å; T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 PolarHBondContact O-N 3.21Å; T72-F75 WeakPolarHBondContact O-CB 3.29Å; T72-F75 PolarHBondContact O-N 2.77Å; T72-I76 PolarHBondContact O-N 3.32Å | ||
| 73 | E | 61.4 | Low | 72.7 | Confident | 171 Ų | 171 | 109.3 Ų | 109.3 | 80% | 0.799 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.5 | -38.2 | 179.6 | -163.5 | 166.1 | -160.8 | 0 | 0 | 112 | F75 I76 A77 | E73-F75 PolarHBondContact O-N 3Å; E73-I76 PolarHBondContact O-N 2.96Å; E73-A77 WeakPolarHBondContact O-CB 3.21Å; E73-A77 PolarHBondContact O-N 3.45Å |
| 74 | D | 65.4 | Low | 71.4 | Confident | 136 Ų | 136 | 103.2 Ų | 103.2 | 73% | 0.727 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -36.4 | 172.1 | -87 | -18.9 | 0 | 0 | 0 | 113.4 | T72 A77 A78 | T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 PolarHBondContact O-N 3.21Å; D74-A77 PolarHBondContact O-N 2.77Å; D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.18Å |
| 75 | F | 66.4 | Low | 69.8 | Low | 111 Ų | 111 | 105.4 Ų | 105.4 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 176 | -179.6 | -90.9 | 0 | 0 | 0 | 111 | I71 T72 E73 Y79 | I71-F75 HydrophobicContact CG2-CD1 4.23Å; T72-F75 WeakPolarHBondContact O-CB 3.29Å; T72-F75 PolarHBondContact O-N 2.77Å; E73-F75 PolarHBondContact O-N 3Å; F75-Y79 VanDerWaalsContact O-CB 3.32Å; F75-Y79 WeakPolarHBondContact O-CB 3.41Å; F75-Y79 PolarHBondContact O-N 3.02Å |
| 76 | I | 73.7 | Confident | 68 | Low | 74 Ų | 74 | 104.1 Ų | 104.1 | 38% | 0.379 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 173.9 | -61.9 | 171.3 | 0 | 0 | 0 | 110 | I71 T72 E73 Y79 Q80 | I71-I76 HydrophobicContact CG2-CD1 3.89Å; I71-I76 HydrophobicContact CG2-CG1 3.68Å; T72-I76 PolarHBondContact O-N 3.32Å; E73-I76 PolarHBondContact O-N 2.96Å; I76-Y79 PolarHBondContact O-N 3.34Å; I76-Q80 HydrophobicContact CG2-CG 4.37Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.3Å; I76-Q80 WeakPolarHBondContact O-CG 3.44Å; I76-Q80 PolarHBondContact O-N 3.21Å |
| 77 | A | 72.8 | Confident | 65.9 | Low | 46 Ų | 46 | 110.4 Ų | 110.4 | 38% | 0.38 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -44.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E73 D74 Q80 A81 | E73-A77 WeakPolarHBondContact O-CB 3.21Å; E73-A77 PolarHBondContact O-N 3.45Å; D74-A77 PolarHBondContact O-N 2.77Å; A77-Q80 PolarHBondContact O-N 3.3Å; A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.99Å |
| 78 | A | 69.4 | Low | 63.8 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 44% | 0.438 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.1 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D74 N82 | D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.18Å; A78-N82 WeakPolarHBondContact O-CB 3.17Å; A78-N82 PolarHBondContact O-N 2.9Å |
| 79 | Y | 72.7 | Confident | 61.6 | Low | 141 Ų | 141 | 114 Ų | 114 | 55% | 0.553 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.4 | -47.3 | 174.2 | -178.7 | -99.9 | 0 | 0 | 0 | 111.7 | F75 I76 A81 N82 Y83 | F75-Y79 VanDerWaalsContact O-CB 3.32Å; F75-Y79 WeakPolarHBondContact O-CB 3.41Å; F75-Y79 PolarHBondContact O-N 3.02Å; I76-Y79 PolarHBondContact O-N 3.34Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; Y79-A81 PolarHBondContact O-N 2.92Å; Y79-N82 PolarHBondContact O-N 3.15Å; Y79-Y83 AromaticContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CE2 4.46Å; Y79-Y83 AromaticContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CE2 4.15Å; Y79-Y83 HydrophobicContact CE2-CG 4.33Å; Y79-Y83 PolarHBondContact O-N 3.42Å |
| 80 | Q | 75.3 | Confident | 59.3 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.4 | -40.1 | 175.5 | -72.9 | 175.8 | 0.4 | 0 | 0 | 112.1 | I76 A77 G84 | I76-Q80 HydrophobicContact CG2-CG 4.37Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.3Å; I76-Q80 WeakPolarHBondContact O-CG 3.44Å; I76-Q80 PolarHBondContact O-N 3.21Å; A77-Q80 PolarHBondContact O-N 3.3Å; Q80-G84 PolarHBondContact O-N 2.65Å |
| 81 | A | 71.4 | Confident | 58 | Low | 85 Ų | 85 | 119.8 Ų | 119.8 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.7 | -36.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A77 Y79 | A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.99Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; Y79-A81 PolarHBondContact O-N 2.92Å |
| 82 | N | 69.6 | Low | 55.9 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.8 | -30.1 | 178.5 | -86.7 | -22.3 | 0 | 0 | 0 | 114.1 | A78 Y79 | A78-N82 WeakPolarHBondContact O-CB 3.17Å; A78-N82 PolarHBondContact O-N 2.9Å; Y79-N82 PolarHBondContact O-N 3.15Å |
| 83 | Y | 67.4 | Low | 54.2 | Low | 179 Ų | 179 | 119 Ų | 119 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -105.8 | -10.8 | -174.8 | -82 | -82.6 | 0 | 0 | 0 | 115.8 | Y79 | Y79-Y83 AromaticContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CE2 4.46Å; Y79-Y83 AromaticContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CE2 4.15Å; Y79-Y83 HydrophobicContact CE2-CG 4.33Å; Y79-Y83 PolarHBondContact O-N 3.42Å |
| 84 | G | 41.8 | Very low | 52.7 | Low | 50 Ų | 50 | 119.7 Ų | 119.7 | 52% | 0.515 | 68% | 0.678 | S | S | . | * | trans | 84 | 125.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q80 T86 | Q80-G84 PolarHBondContact O-N 2.65Å; G84-T86 PolarHBondContact O-N 2.86Å | ||
| 85 | F | 41.9 | Very low | 51.1 | Low | 175 Ų | 175 | 120 Ų | 120 | 77% | 0.768 | 68% | 0.68 | S | S | * | * | trans | -49.9 | 116.1 | 170.4 | -176.3 | -106.3 | 0 | 0 | 0 | 112.6 | E87 | F85-E87 HydrophobicContact CD1-CB 3.92Å; F85-E87 HydrophobicContact CE1-CB 3.54Å; F85-E87 HydrophobicContact CE1-CG 3.73Å; F85-E87 HydrophobicContact CZ-CB 4.44Å; F85-E87 HydrophobicContact CZ-CG 4.4Å | ||
| 86 | T | 41.9 | Very low | 49.4 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | -85.1 | 108.9 | 159.7 | 45.5 | 0 | 0 | 0 | 0 | 108.7 | G84 E88 | G84-T86 PolarHBondContact O-N 2.86Å; T86-E88 PolarHBondContact O-N 2.97Å; T86-E88 VanDerWaalsContact O-N 3.08Å | ||
| 87 | E | 39 | Very low | 47.4 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -75.6 | 91.6 | 177 | -169.4 | 169.4 | -128.5 | 0 | 0 | 110.6 | F85 | F85-E87 HydrophobicContact CD1-CB 3.92Å; F85-E87 HydrophobicContact CE1-CB 3.54Å; F85-E87 HydrophobicContact CE1-CG 3.73Å; F85-E87 HydrophobicContact CZ-CB 4.44Å; F85-E87 HydrophobicContact CZ-CG 4.4Å | ||
| 88 | E | 35.5 | Very low | 45.4 | Very low | 193 Ų | 193 | 128 Ų | 128 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -149.8 | 93.4 | 157.5 | -134.6 | 176.9 | -150.1 | 0 | 0 | 111.4 | T86 | T86-E88 PolarHBondContact O-N 2.97Å; T86-E88 VanDerWaalsContact O-N 3.08Å | ||
| 89 | G | 32 | Very low | 43.4 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | 85.9 | 109.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 90 | D | 31.6 | Very low | 41.2 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -149.5 | 155 | 158.3 | -162.3 | 50.3 | 0 | 0 | 0 | 107.8 | ||||
| 91 | P | 48.4 | Very low | 38.9 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -122.3 | 156.3 | -1.5 | 12.7 | 12.5 | 0 | 0 | 0 | 115.9 | ||||
| 92 | G | 27 | Very low | 36.9 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -164.7 | -0.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 93 | A | 32.9 | Very low | 35.2 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 43.2 | 102.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 94 | K | 30.1 | Very low | 33.3 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 170.6 | 146.7 | 104.6 | -96.1 | 170.7 | -177.8 | 173.4 | 0 | 115.1 | |||||
| 95 | N | 32.2 | Very low | 32.9 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | 68.5 | 151.3 | 152.2 | -64.9 | -19.8 | 0 | 0 | 0 | 117.5 | ||||
| 96 | V | 30.3 | Very low | 32.4 | Very low | 121 Ų | 121 | 126 Ų | 126 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | cis | 174.1 | 130.5 | -24 | 131.5 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 97 | A | 32.2 | Very low | 31.7 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 60.6 | 158.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 98 | Q | 31.2 | Very low | 31 | Very low | 192 Ų | 192 | 125.4 Ų | 125.4 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | cis | -159.4 | 137.4 | 1.9 | -141.3 | 167.5 | 6.2 | 0 | 0 | 110.2 | ||||
| 99 | S | 26.3 | Very low | 30.5 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -171 | 142.2 | 156.8 | -156.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 100 | G | 26.3 | Very low | 30.4 | Very low | 58 Ų | 58 | 124.8 Ų | 124.8 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | cis | 152.7 | 89.2 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 101 | S | 27.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 51.6 | 117.7 | 161.5 | 59.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 102 | E | 30.1 | Very low | 29 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 69.1 | 150.3 | 136.1 | -81.4 | -168.7 | 113 | 0 | 0 | 120 | ||||
| 103 | P | 34.4 | Very low | 29.4 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -145.6 | 159.5 | 44.1 | 41.5 | -21.4 | 0 | 0 | 0 | 120.4 | ||||
| 104 | V | 27.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 38.4 | 132.1 | 130.1 | -169.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 105 | A | 33.7 | Very low | 28.9 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -62.1 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 106 | P | 30.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | -141.8 | 155.5 | 100.6 | 40.9 | -29.4 | 0 | 0 | 0 | 115.8 | |||||
| 107 | E | 27.1 | Very low | 28.3 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -63.8 | 164.3 | 154.1 | -40.5 | 178.5 | 132.3 | 0 | 0 | 108.9 | ||||
| 108 | S | 24.8 | Very low | 27.9 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | cis | -168.7 | 156.4 | 24.5 | 47.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 109 | N | 24.9 | Very low | 27.6 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | 164.7 | 107.1 | 114 | -167.7 | 13.6 | 0 | 0 | 0 | 110.2 | |||||
| 110 | S | 29.6 | Very low | 27.5 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -90 | 135.6 | 174.2 | 49.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | K | 25.4 | Very low | 27.8 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -164.6 | 124.4 | 132.4 | -117.5 | 169.2 | -178.4 | 174.3 | 0 | 114.6 | ||||
| 112 | L | 24.9 | Very low | 27.9 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -115.7 | 167.4 | 153.9 | -85 | 174.4 | 0 | 0 | 0 | 108.7 | ||||
| 113 | P | 36.7 | Very low | 27.9 | Very low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -111.7 | 178.7 | -146 | 42.4 | -37.6 | 0 | 0 | 0 | 114.6 | ||||
| 114 | E | 26.4 | Very low | 27.3 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | -177.4 | 139.6 | 123.5 | -89.6 | -126.4 | 111.6 | 0 | 0 | 112.9 | |||||
| 115 | K | 26.5 | Very low | 27.6 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | trans | 53.7 | 151.4 | 142.6 | -75.8 | 176.3 | -174.1 | 131.8 | 0 | 121.5 | ||||
| 116 | E | 24.7 | Very low | 27.3 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 64% | 0.64 | 77% | 0.769 | S | S | * | * | cis | -144.8 | 159.2 | 12.1 | -92.3 | -149.9 | 117.4 | 0 | 0 | 113.7 | ||||
| 117 | K | 24.1 | Very low | 27.2 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 68% | 0.683 | 76% | 0.764 | S | S | * | * | trans | 79.3 | 113 | 142.3 | -81.5 | 167.6 | -177.3 | 141.1 | 0 | 124.6 | ||||
| 118 | S | 24.6 | Very low | 27.2 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | 73.2 | 109.4 | 129 | 63.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 119 | A | 24.1 | Very low | 27.4 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | 169.1 | 142.6 | 98.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 120 | N | 24.2 | Very low | 27.7 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -83.7 | 169.1 | 175.1 | -98.7 | -21.9 | 0 | 0 | 0 | 111.5 | ||||
| 121 | P | 33.1 | Very low | 27.5 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | cis | -143.3 | 170.8 | 30.2 | 40.5 | -19.8 | 0 | 0 | 0 | 120.3 | ||||
| 122 | A | 28.1 | Very low | 27.7 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -17.8 | 161.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 123 | P | 30.2 | Very low | 27.9 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | cis | -143.6 | 167.2 | 34.1 | 41.4 | -21.5 | 0 | 0 | 0 | 120.8 | ||||
| 124 | S | 23 | Very low | 27.6 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -76.3 | 176.6 | 168 | -32.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 125 | P | 33.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | -124.7 | 155.9 | 61.2 | 8 | 17.3 | 0 | 0 | 0 | 113.9 | |||||
| 126 | A | 26.8 | Very low | 28 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | 70.6 | 139.1 | 62 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 127 | T | 27.9 | Very low | 28.4 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | -156.5 | 153.6 | 11.9 | -30.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 128 | E | 28.2 | Very low | 28.9 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | 173.6 | 128.5 | 83.4 | -104.4 | 159.9 | -167.8 | 0 | 0 | 107.4 | |||||
| 129 | Q | 28.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | 56.5 | 129.2 | 100.6 | -60.7 | -170.3 | 13.4 | 0 | 0 | 114.6 | |||||
| 130 | Q | 31 | Very low | 30 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | cis | -159.4 | 158.2 | 48.7 | -130.6 | 162 | 21.6 | 0 | 0 | 113.3 | ||||
| 131 | E | 26.1 | Very low | 31 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -86.3 | 152.8 | 177.4 | -58.5 | 170.4 | 121.3 | 0 | 0 | 113.2 | ||||
| 132 | S | 28.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 143 Ų | 143 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -155.5 | 146.4 | 141 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 133 | S | 29.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -88.6 | 144.3 | -160.7 | 55.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 134 | A | 30.7 | Very low | 32.8 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | 38.1 | 124.2 | 137 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 135 | K | 29.8 | Very low | 34.1 | Very low | 211 Ų | 211 | 158 Ų | 158 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | -168.6 | 150.6 | 106.7 | -104.2 | 168.7 | -176.2 | 179 | 0 | 113.3 | |||||
| 136 | E | 30.6 | Very low | 34.6 | Very low | 173 Ų | 173 | 156.4 Ų | 156.4 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | trans | -70.9 | 144.9 | 178.2 | -64.6 | 164.1 | 87.9 | 0 | 0 | 113 | ||||
| 137 | A | 34.4 | Very low | 35.5 | Very low | 94 Ų | 94 | 160.4 Ų | 160.4 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | trans | -146.9 | 98.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q139 | A137-Q139 PolarHBondContact O-N 3.16Å; A137-Q139 VanDerWaalsContact O-N 3.16Å | ||
| 138 | K | 34 | Very low | 36.6 | Very low | 196 Ų | 196 | 159 Ų | 159 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | -61.9 | 112.5 | 169.8 | -76.5 | 174.2 | 176 | 169.9 | 0 | 109.4 | ||||
| 139 | Q | 39.1 | Very low | 37.7 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -99.2 | 101.6 | 157.7 | -77.5 | -162.8 | -5.5 | 0 | 0 | 111.1 | A137 | A137-Q139 PolarHBondContact O-N 3.16Å; A137-Q139 VanDerWaalsContact O-N 3.16Å | ||
| 140 | K | 32.9 | Very low | 38.9 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -19.1 | 139.3 | 154.1 | -162.1 | 171.7 | -175.6 | 176.8 | 0 | 114.1 | E142 | K140-E142 PolarHBondContact O-N 3.06Š| ||
| 141 | G | 45.2 | Very low | 40.2 | Very low | 83 Ų | 83 | 145.2 Ų | 145.2 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -58.2 | 107.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 142 | E | 37.2 | Very low | 41.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -87.6 | 134.5 | 151.9 | -165 | 171.6 | 145 | 0 | 0 | 108.1 | K140 R144 | K140-E142 PolarHBondContact O-N 3.06Å; E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 2.82Å | ||
| 143 | K | 47.7 | Very low | 43.4 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -62.5 | 97.7 | 172 | -75.7 | 177.3 | 178.9 | 172.4 | 0 | 107.5 | K145 | K143-K145 VanDerWaalsContact C-N 3.27Å; K143-K145 PolarHBondContact O-N 2.91Å | ||
| 144 | R | 44.3 | Very low | 45.2 | Very low | 242 Ų | 242 | 139.2 Ų | 139.2 | 91% | 0.913 | 72% | 0.717 | S | S | * | * | trans | -52.8 | 98.2 | 166.7 | -84.4 | -175.7 | 173.3 | 173.2 | -2 | 107.4 | E142 A146 | E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 2.82Å; R144-A146 PolarHBondContact O-N 2.65Å | ||
| 145 | K | 49.6 | Very low | 47 | Very low | 193 Ų | 193 | 142 Ų | 142 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | -51.1 | 115.9 | 147.7 | -69.7 | 178.7 | -179.3 | 172.4 | 0 | 103.1 | K143 E147 | K143-K145 VanDerWaalsContact C-N 3.27Å; K143-K145 PolarHBondContact O-N 2.91Å; K145-E147 PolarHBondContact O-N 2.94Å | ||
| 146 | A | 46 | Very low | 49 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | trans | -51.6 | 121.6 | 175 | 0 | 0 | 0 | 0 | 0 | 106.4 | R144 | R144-A146 PolarHBondContact O-N 2.65Š| ||
| 147 | E | 44.3 | Very low | 51.4 | Low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | -41.4 | 133.5 | 165.5 | -77.6 | -79.4 | 116.4 | 0 | 0 | 106.6 | K145 G149 | K145-E147 PolarHBondContact O-N 2.94Å; E147-G149 PolarHBondContact O-N 3.13Å | ||
| 148 | P | 51.3 | Low | 53.8 | Low | 84 Ų | 84 | 133.3 Ų | 133.3 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | trans | -73.2 | 57 | 179.3 | 31.7 | -35.2 | 0 | 0 | 0 | 110.1 | Y250 A252 | P148-Y250 HydrophobicContact CB-CD1 4.47Å; P148-Y250 HydrophobicContact CB-CE1 4.09Å; P148-Y250 WeakPolarHBondContact O-CD1 3.45Å; P148-Y250 WeakPolarHBondContact O-CE1 3.43Å; P148-A252 HydrophobicContact CB-CB 4.29Å | ||
| 149 | G | 52.6 | Low | 56.5 | Low | 54 Ų | 54 | 125.8 Ų | 125.8 | 56% | 0.557 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 148.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | E147 F151 | E147-G149 PolarHBondContact O-N 3.13Å; G149-F151 PolarHBondContact O-N 2.83Å |
| 150 | W | 52.7 | Low | 59.1 | Low | 90 Ų | 90 | 117.8 Ų | 117.8 | 34% | 0.341 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -51.1 | 136.3 | 176.4 | -177.7 | -114.6 | 0 | 0 | 0 | 110.1 | D152 F244 L246 Y250 | W150-D152 PolarHBondContact O-N 3.1Å; W150-F244 WeakPolarHBondContact CZ2-O 3.38Å; W150-F244 PolarHBondContact NE1-O 3.43Å; W150-L246 HydrophobicContact CB-CD2 4.08Å; W150-L246 HydrophobicContact CD2-CB 3.58Å; W150-L246 HydrophobicContact CD2-CD1 4.01Å; W150-L246 HydrophobicContact CD2-CD2 4.2Å; W150-L246 HydrophobicContact CD2-CG 4.1Å; W150-L246 HydrophobicContact CE3-CB 4.1Å; W150-L246 HydrophobicContact CE3-CD1 3.57Å; W150-L246 HydrophobicContact CE3-CD2 4.26Å; W150-L246 HydrophobicContact CE3-CG 4.15Å; W150-L246 HydrophobicContact CG-CB 3.8Å; W150-L246 HydrophobicContact CG-CD2 4.14Å; W150-L246 HydrophobicContact CG-CG 4.42Å; W150-L246 HydrophobicContact CH2-CB 4.42Å; W150-L246 HydrophobicContact CH2-CD1 4.02Å; W150-L246 HydrophobicContact CZ2-CB 4Å; W150-L246 HydrophobicContact CZ2-CD1 4.46Å; W150-L246 HydrophobicContact CZ3-CB 4.48Å; W150-L246 HydrophobicContact CZ3-CD1 3.57Å; W150-Y250 AromaticContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CE2 4.09Å; W150-Y250 HydrophobicContact CE3-CG 4.15Å; W150-Y250 AromaticContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CE2 4.1Å |
| 151 | F | 58.1 | Low | 62 | Low | 80 Ų | 80 | 108.1 Ų | 108.1 | 35% | 0.351 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 121.8 | 172.8 | 66.3 | -98.5 | 0 | 0 | 0 | 107.7 | G149 I153 F244 | G149-F151 PolarHBondContact O-N 2.83Å; F151-I153 HydrophobicContact CD2-CB 4.25Å; F151-I153 HydrophobicContact CD2-CD1 3.53Å; F151-I153 HydrophobicContact CD2-CG1 3.44Å; F151-I153 VanDerWaalsContact CD2-CG1 3.44Å; F151-I153 HydrophobicContact CE2-CD1 3.42Å; F151-I153 VanDerWaalsContact CE2-CD1 3.42Å; F151-I153 HydrophobicContact CE2-CG1 3.89Å; F151-I153 HydrophobicContact CG-CD1 4.48Å; F151-I153 HydrophobicContact CG-CG1 4.29Å; F151-I153 HydrophobicContact CZ-CD1 4.33Å; F151-F244 HydrophobicContact CE2-CB 3.61Å; F151-F244 HydrophobicContact CE2-CD2 4.39Å; F151-F244 HydrophobicContact CE2-CG 4.03Å; F151-F244 HydrophobicContact CZ-CB 4.03Å; F151-F244 HydrophobicContact CZ-CG 4.32Å |
| 152 | D | 57.4 | Low | 64.3 | Low | 146 Ų | 146 | 107.3 Ų | 107.3 | 78% | 0.781 | 52% | 0.522 | S | S | * | . | trans | -88.3 | 106.3 | 149.4 | -157.5 | -0.6 | 0 | 0 | 0 | 105 | W150 E154 | W150-D152 PolarHBondContact O-N 3.1Å; D152-E154 PolarHBondContact O-N 3.32Å | ||
| 153 | I | 65.3 | Low | 67 | Low | 60 Ų | 60 | 98.9 Ų | 98.9 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | trans | -79 | 104 | 167.8 | -67.5 | 154.7 | 0 | 0 | 0 | 104.6 | F151 E155 R157 N158 | F151-I153 HydrophobicContact CD2-CB 4.25Å; F151-I153 HydrophobicContact CD2-CD1 3.53Å; F151-I153 HydrophobicContact CD2-CG1 3.44Å; F151-I153 VanDerWaalsContact CD2-CG1 3.44Å; F151-I153 HydrophobicContact CE2-CD1 3.42Å; F151-I153 VanDerWaalsContact CE2-CD1 3.42Å; F151-I153 HydrophobicContact CE2-CG1 3.89Å; F151-I153 HydrophobicContact CG-CD1 4.48Å; F151-I153 HydrophobicContact CG-CG1 4.29Å; F151-I153 HydrophobicContact CZ-CD1 4.33Å; I153-E155 PolarHBondContact O-N 2.84Å; I153-R157 HydrophobicContact CG2-CB 4.16Å; I153-N158 WeakPolarHBondContact CB-OD1 3.38Å; I153-N158 HydrophobicContact CG2-CB 4.36Å; I153-N158 VanDerWaalsContact CG2-CG 3.47Å; I153-N158 WeakPolarHBondContact CG2-OD1 3.24Å; I153-N158 PolarHBondContact O-ND2 3.13Å | ||
| 154 | E | 65.8 | Low | 69.2 | Low | 99 Ų | 99 | 90.7 Ų | 90.7 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | trans | -35.9 | 129.3 | 165.9 | -68 | 167.4 | -156.5 | 0 | 0 | 110.5 | D152 D156 R157 N158 | D152-E154 PolarHBondContact O-N 3.32Å; E154-D156 PolarHBondContact O-N 2.79Å; E154-D156 VanDerWaalsContact O-N 3.1Å; E154-R157 HydrophobicContact CB-CG 4.37Å; E154-R157 PolarHBondContact O-N 2.87Å; E154-R157 IonicContact OE1-CZ 2.96Å; E154-R157 IonicContact OE1-NE 2.65Å; E154-R157 IonicContact OE1-NH2 3.68Å; E154-R157 PolarHBondContact OE1-NH2 3.04Å; E154-R157 IonicContact OE2-CZ 2.71Å; E154-R157 IonicContact OE2-NE 3.36Å; E154-R157 PolarHBondContact OE2-NE 3Å; E154-R157 IonicContact OE2-NH2 3.93Å; E154-R157 PolarHBondContact OE2-NH2 2.66Å; E154-N158 PolarHBondContact O-N 2.76Å | ||
| 155 | E | 69.3 | Low | 71.4 | Confident | 149 Ų | 149 | 80.7 Ų | 80.7 | 70% | 0.696 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -51.7 | -39.4 | -175.5 | -158.2 | 169.6 | 165.5 | 0 | 0 | 111.8 | I153 R157 N158 A241 | I153-E155 PolarHBondContact O-N 2.84Å; E155-R157 PolarHBondContact O-N 3.46Å; E155-R157 VanDerWaalsContact O-N 3.13Å; E155-N158 PolarHBondContact O-N 2.92Å; E155-N158 VanDerWaalsContact O-N 3.13Å; E155-A241 HydrophobicContact CG-CB 4.14Å |
| 156 | D | 71 | Confident | 73.4 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 65% | 0.652 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -64.3 | -10.7 | 175.8 | -69.2 | -53.2 | 0 | 0 | 0 | 116.6 | E154 K217 | E154-D156 PolarHBondContact O-N 2.79Å; E154-D156 VanDerWaalsContact O-N 3.1Å; D156-K217 WeakPolarHBondContact O-CD 3.31Å; D156-K217 PolarHBondContact O-NZ 3.15Å |
| 157 | R | 80.9 | Confident | 75.5 | Confident | 162 Ų | 162 | 67.4 Ų | 67.4 | 61% | 0.611 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -114.9 | -5.6 | 175.6 | -55.5 | -167.2 | -145.6 | -166.9 | 12.9 | 112.9 | I153 E154 E155 T159 | I153-R157 HydrophobicContact CG2-CB 4.16Å; E154-R157 HydrophobicContact CB-CG 4.37Å; E154-R157 PolarHBondContact O-N 2.87Å; E154-R157 IonicContact OE1-CZ 2.96Å; E154-R157 IonicContact OE1-NE 2.65Å; E154-R157 IonicContact OE1-NH2 3.68Å; E154-R157 PolarHBondContact OE1-NH2 3.04Å; E154-R157 IonicContact OE2-CZ 2.71Å; E154-R157 IonicContact OE2-NE 3.36Å; E154-R157 PolarHBondContact OE2-NE 3Å; E154-R157 IonicContact OE2-NH2 3.93Å; E154-R157 PolarHBondContact OE2-NH2 2.66Å; E155-R157 PolarHBondContact O-N 3.46Å; E155-R157 VanDerWaalsContact O-N 3.13Å; R157-T159 PolarHBondContact O-N 2.8Å |
| 158 | N | 86.3 | Confident | 77.5 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.053 | 34% | 0.338 | C | S | . | . | trans | -64.5 | 132.1 | 175.1 | -83.4 | -52.2 | 0 | 0 | 0 | 110.4 | I153 E154 E155 V220 | I153-N158 WeakPolarHBondContact CB-OD1 3.38Å; I153-N158 HydrophobicContact CG2-CB 4.36Å; I153-N158 VanDerWaalsContact CG2-CG 3.47Å; I153-N158 WeakPolarHBondContact CG2-OD1 3.24Å; I153-N158 PolarHBondContact O-ND2 3.13Å; E154-N158 PolarHBondContact O-N 2.76Å; E155-N158 PolarHBondContact O-N 2.92Å; E155-N158 VanDerWaalsContact O-N 3.13Å; N158-V220 WeakPolarHBondContact O-CG2 3.19Å | ||
| 159 | T | 90.5 | Very high | 79.2 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | trans | -111.2 | 5.5 | 170.5 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | R157 Y214 K217 | R157-T159 PolarHBondContact O-N 2.8Å; T159-Y214 WeakPolarHBondContact CB-O 3.3Å; T159-Y214 PolarHBondContact O-N 3.38Å; T159-K217 HydrophobicContact CG2-CB 4.18Å | ||
| 160 | N | 92.3 | Very high | 81 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.3 | -179.1 | -50.1 | -64.5 | 0 | 0 | 0 | 109.5 | L211 C212 C213 A242 F244 | N160-L211 HydrophobicContact CB-CD1 4.19Å; N160-C212 CarbonylContact C-O 3.56Å; N160-C212 VanDerWaalsContact CA-O 3.25Å; N160-C212 WeakPolarHBondContact CA-O 3.46Å; N160-C213 WeakPolarHBondContact OD1-CB 3.27Å; N160-C213 PolarHBondContact OD1-SG 3.07Å; N160-A242 HydrophobicContact CB-CB 3.82Å; N160-A242 WeakPolarHBondContact O-CB 3.34Å; N160-A242 PolarHBondContact O-N 3.15Å; N160-F244 HydrophobicContact CB-CE2 3.86Å; N160-F244 HydrophobicContact CB-CZ 3.78Å; N160-F244 WeakPolarHBondContact ND2-CE2 3.25Å |
| 161 | V | 93.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.9 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 108.5 | V163 M179 L211 C212 Y214 V220 A223 V239 E240 | V161-V163 HydrophobicContact CG1-CG2 3.95Å; V161-M179 HydrophobicContact CB-CE 3.99Å; V161-M179 HydrophobicContact CG1-CE 3.69Å; V161-L211 CarbonylContact O-C 3.51Å; V161-L211 WeakPolarHBondContact O-CA 3.44Å; V161-C212 PolarHBondContact N-O 2.68Å; V161-C212 PolarHBondContact O-N 3.45Å; V161-Y214 HydrophobicContact CB-CE2 4.35Å; V161-Y214 HydrophobicContact CG2-CD2 3.89Å; V161-Y214 HydrophobicContact CG2-CE2 3.74Å; V161-V220 HydrophobicContact CG2-CB 3.97Å; V161-V220 HydrophobicContact CG2-CG1 3.69Å; V161-V220 HydrophobicContact CG2-CG2 3.9Å; V161-A223 HydrophobicContact CG2-CB 4.43Å; V161-V239 HydrophobicContact CG1-CG1 3.39Å; V161-E240 CarbonylContact C-O 3.59Å; V161-E240 WeakPolarHBondContact CA-O 3.44Å; V161-E240 WeakPolarHBondContact CG1-O 3.28Å |
| 162 | Y | 94.7 | Very high | 84.3 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.6 | 169.1 | -173.3 | -98.9 | 0 | 0 | 0 | 108.6 | Y199 D209 G210 E240 | Y162-Y199 HydrophobicContact CD2-CE2 4.36Å; Y162-Y199 HydrophobicContact CE2-CD2 4.32Å; Y162-Y199 AromaticContact CE2-CE2 3.96Å; Y162-Y199 HydrophobicContact CE2-CE2 3.96Å; Y162-D209 HydrophobicContact CE2-CB 4.32Å; Y162-D209 WeakPolarHBondContact OH-CB 3.42Å; Y162-D209 PolarHBondContact OH-OD1 2.95Å; Y162-D209 PolarHBondContact OH-OD2 2.69Å; Y162-G210 WeakPolarHBondContact CA-O 3.2Å; Y162-E240 PolarHBondContact N-O 2.75Å; Y162-E240 PolarHBondContact O-N 2.73Å |
| 163 | V | 93.5 | Very high | 86 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.7 | 177.7 | -175 | 0 | 0 | 0 | 0 | 108.3 | V161 L166 F175 M179 D209 G210 L237 H238 V239 | V161-V163 HydrophobicContact CG1-CG2 3.95Å; V163-L166 HydrophobicContact CG1-CD1 4.41Å; V163-L166 HydrophobicContact CG1-CD2 3.77Å; V163-L166 HydrophobicContact CG1-CG 4.03Å; V163-F175 HydrophobicContact CB-CE2 3.89Å; V163-F175 HydrophobicContact CB-CZ 4.07Å; V163-F175 HydrophobicContact CG1-CE2 4.14Å; V163-F175 HydrophobicContact CG2-CE2 3.88Å; V163-F175 HydrophobicContact CG2-CZ 3.85Å; V163-M179 HydrophobicContact CG2-CE 3.68Å; V163-M179 HydrophobicContact CG2-SD 3.88Å; V163-D209 CarbonylContact O-C 3.6Å; V163-D209 WeakPolarHBondContact O-CA 3.04Å; V163-G210 PolarHBondContact N-O 3.34Å; V163-G210 PolarHBondContact O-N 3.19Å; V163-L237 HydrophobicContact CG1-CB 4.48Å; V163-H238 CarbonylContact C-O 3.49Å; V163-H238 WeakPolarHBondContact CA-O 3.49Å; V163-V239 HydrophobicContact CG1-CG2 4.12Å; V163-V239 HydrophobicContact CG2-CG1 4.39Å; V163-V239 HydrophobicContact CG2-CG2 4.25Å |
| 164 | S | 94 | Very high | 87.2 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 165.1 | 173.8 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | G208 D209 L237 H238 | S164-G208 CarbonylContact C-O 3.6Å; S164-D209 WeakPolarHBondContact CA-OD1 3.41Å; S164-D209 WeakPolarHBondContact CB-OD1 3.47Å; S164-L237 WeakPolarHBondContact O-CA 3.25Å; S164-H238 PolarHBondContact N-O 2.92Å; S164-H238 PolarHBondContact O-N 3.2Å |
| 165 | G | 90.4 | Very high | 88.5 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 81.2 | 12 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G208 Y235 L237 | G165-G208 PolarHBondContact N-O 2.88Å; G165-Y235 VanDerWaalsContact O-CB 3.28Å; G165-Y235 WeakPolarHBondContact O-CB 3.42Å; G165-L237 VanDerWaalsContact O-CD2 3.27Å; G165-L237 WeakPolarHBondContact O-CD2 3.38Å |
| 166 | L | 91.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -64.2 | 144.5 | 177.4 | -60.9 | 168.3 | 0 | 0 | 0 | 111.4 | V163 I170 F175 L198 G208 L237 | V163-L166 HydrophobicContact CG1-CD1 4.41Å; V163-L166 HydrophobicContact CG1-CD2 3.77Å; V163-L166 HydrophobicContact CG1-CG 4.03Å; L166-I170 HydrophobicContact CB-CG2 4.25Å; L166-I170 HydrophobicContact CD2-CD1 3.89Å; L166-F175 HydrophobicContact CD1-CD2 3.82Å; L166-F175 HydrophobicContact CD1-CE2 3.7Å; L166-F175 HydrophobicContact CD1-CZ 4.38Å; L166-F175 HydrophobicContact CD2-CD2 3.7Å; L166-F175 HydrophobicContact CD2-CE2 3.8Å; L166-F175 HydrophobicContact CG-CD2 4.45Å; L166-F175 HydrophobicContact CG-CE2 4.38Å; L166-L198 HydrophobicContact CD1-CD2 3.8Å; L166-G208 WeakPolarHBondContact CB-O 3.49Å; L166-G208 PolarHBondContact N-O 2.91Å; L166-G208 WeakPolarHBondContact O-CA 3.34Å; L166-L237 HydrophobicContact CD2-CD1 4.13Å; L166-L237 HydrophobicContact CD2-CD2 3.81Å; L166-L237 HydrophobicContact CG-CD2 4.41Å | ||
| 167 | P | 89.8 | Confident | 90.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | trans | -65.5 | 146.6 | 176.7 | 25.3 | -31.1 | 0 | 0 | 0 | 111.7 | D169 I170 V232 Y235 | P167-D169 PolarHBondContact O-N 3.47Å; P167-D169 VanDerWaalsContact O-N 3.1Å; P167-I170 HydrophobicContact CG-CB 4.18Å; P167-I170 WeakPolarHBondContact O-CB 3Å; P167-I170 WeakPolarHBondContact O-CG2 3.16Å; P167-I170 PolarHBondContact O-N 3.02Å; P167-V232 HydrophobicContact CG-CG1 4.42Å; P167-Y235 HydrophobicContact CB-CD2 3.74Å; P167-Y235 HydrophobicContact CB-CE2 3.94Å; P167-Y235 HydrophobicContact CB-CG 4.34Å | ||
| 168 | L | 87.1 | Confident | 91 | Very high | 111 Ų | 111 | 39.4 Ų | 39.4 | 58% | 0.581 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12 | -170.7 | -61.1 | 173 | 0 | 0 | 0 | 114.5 | L206 | L168-L206 WeakPolarHBondContact CD2-O 3.19Å; L168-L206 WeakPolarHBondContact O-CD1 3.34Å |
| 169 | D | 87.6 | Confident | 91.3 | Very high | 106 Ų | 106 | 38.9 Ų | 38.9 | 57% | 0.567 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 7.8 | -179.7 | 67.9 | -25.1 | 0 | 0 | 0 | 113.7 | P167 R233 | P167-D169 PolarHBondContact O-N 3.47Å; P167-D169 VanDerWaalsContact O-N 3.1Å; D169-R233 VanDerWaalsContact CG-NH1 3.27Å; D169-R233 IonicContact OD1-NH1 2.59Å; D169-R233 PolarHBondContact OD1-NH1 3.21Å; D169-R233 IonicContact OD2-CZ 2.8Å; D169-R233 IonicContact OD2-NH1 3.88Å; D169-R233 PolarHBondContact OD2-NH1 2.82Å |
| 170 | I | 88.9 | Confident | 91.4 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | trans | -65.2 | 133.8 | -175.4 | -159.8 | 171.6 | 0 | 0 | 0 | 112.9 | L166 P167 E174 F175 L198 L206 | L166-I170 HydrophobicContact CB-CG2 4.25Å; L166-I170 HydrophobicContact CD2-CD1 3.89Å; P167-I170 HydrophobicContact CG-CB 4.18Å; P167-I170 WeakPolarHBondContact O-CB 3Å; P167-I170 WeakPolarHBondContact O-CG2 3.16Å; P167-I170 PolarHBondContact O-N 3.02Å; I170-E174 HydrophobicContact CG1-CB 4.26Å; I170-E174 HydrophobicContact CG1-CG 4.21Å; I170-F175 HydrophobicContact CD1-CB 3.82Å; I170-F175 HydrophobicContact CD1-CD2 4.19Å; I170-F175 HydrophobicContact CD1-CG 4.46Å; I170-F175 HydrophobicContact CG1-CB 4.27Å; I170-L198 HydrophobicContact CG2-CD1 4Å; I170-L198 HydrophobicContact CG2-CD2 4.13Å; I170-L206 HydrophobicContact CG2-CD1 3.86Å; I170-L206 VanDerWaalsContact O-CD1 3.25Å; I170-L206 WeakPolarHBondContact O-CD1 3.37Å | ||
| 171 | S | 91.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | trans | -83.8 | 154.5 | 171.6 | 79.5 | 0 | 0 | 0 | 0 | 111.1 | D173 E174 F175 | S171-D173 PolarHBondContact O-N 2.93Å; S171-E174 PolarHBondContact O-N 3.04Å; S171-E174 VanDerWaalsContact OG-CB 3.29Å; S171-E174 WeakPolarHBondContact OG-CB 3.17Å; S171-E174 PolarHBondContact OG-N 3.39Å; S171-F175 WeakPolarHBondContact O-CB 3.34Å; S171-F175 PolarHBondContact O-N 2.86Å | ||
| 172 | P | 90.4 | Very high | 91 | Very high | 64 Ų | 64 | 47 Ų | 47 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -30.5 | 174.4 | 26.5 | -34.8 | 0 | 0 | 0 | 112.1 | A176 V196 L198 | P172-A176 WeakPolarHBondContact O-CB 3.37Å; P172-A176 PolarHBondContact O-N 3.23Å; P172-V196 HydrophobicContact CB-CG2 3.98Å; P172-L198 HydrophobicContact CB-CD1 4.4Å |
| 173 | D | 91.4 | Very high | 90.8 | Very high | 94 Ų | 94 | 44.6 Ų | 44.6 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.7 | -44 | 179.2 | -56.7 | -57 | 0 | 0 | 0 | 111.9 | S171 F175 A176 E177 | S171-D173 PolarHBondContact O-N 2.93Å; D173-F175 VanDerWaalsContact C-N 3.31Å; D173-F175 PolarHBondContact O-N 2.59Å; D173-A176 CarbonylContact O-C 3.46Å; D173-A176 WeakPolarHBondContact O-CB 3.29Å; D173-A176 PolarHBondContact O-N 3.32Å; D173-A176 VanDerWaalsContact O-N 3.11Å; D173-E177 WeakPolarHBondContact O-CG 3.47Å; D173-E177 PolarHBondContact O-N 2.91Å |
| 174 | E | 91.7 | Very high | 90.7 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 23% | 0.229 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 173.9 | 178.8 | 176 | -162.7 | 0 | 0 | 111.3 | I170 S171 A176 E177 L178 R233 | I170-E174 HydrophobicContact CG1-CB 4.26Å; I170-E174 HydrophobicContact CG1-CG 4.21Å; S171-E174 PolarHBondContact O-N 3.04Å; S171-E174 VanDerWaalsContact OG-CB 3.29Å; S171-E174 WeakPolarHBondContact OG-CB 3.17Å; S171-E174 PolarHBondContact OG-N 3.39Å; E174-A176 VanDerWaalsContact C-N 3.34Å; E174-E177 PolarHBondContact O-N 3.47Å; E174-L178 WeakPolarHBondContact O-CB 3.43Å; E174-L178 PolarHBondContact O-N 3.44Å; E174-R233 IonicContact OE1-CZ 2.76Å; E174-R233 IonicContact OE1-NE 3.32Å; E174-R233 PolarHBondContact OE1-NE 3.04Å; E174-R233 IonicContact OE1-NH2 2.69Å; E174-R233 PolarHBondContact OE1-NH2 3.36Å; E174-R233 IonicContact OE2-CZ 2.66Å; E174-R233 IonicContact OE2-NE 3.28Å; E174-R233 IonicContact OE2-NH2 3.15Å; E174-R233 PolarHBondContact OE2-NH2 2.98Å |
| 175 | F | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -40 | 172.8 | -179.6 | -114.4 | 0 | 0 | 0 | 112 | V163 L166 I170 S171 D173 M179 V196 L198 C212 | V163-F175 HydrophobicContact CB-CE2 3.89Å; V163-F175 HydrophobicContact CB-CZ 4.07Å; V163-F175 HydrophobicContact CG1-CE2 4.14Å; V163-F175 HydrophobicContact CG2-CE2 3.88Å; V163-F175 HydrophobicContact CG2-CZ 3.85Å; L166-F175 HydrophobicContact CD1-CD2 3.82Å; L166-F175 HydrophobicContact CD1-CE2 3.7Å; L166-F175 HydrophobicContact CD1-CZ 4.38Å; L166-F175 HydrophobicContact CD2-CD2 3.7Å; L166-F175 HydrophobicContact CD2-CE2 3.8Å; L166-F175 HydrophobicContact CG-CD2 4.45Å; L166-F175 HydrophobicContact CG-CE2 4.38Å; I170-F175 HydrophobicContact CD1-CB 3.82Å; I170-F175 HydrophobicContact CD1-CD2 4.19Å; I170-F175 HydrophobicContact CD1-CG 4.46Å; I170-F175 HydrophobicContact CG1-CB 4.27Å; S171-F175 WeakPolarHBondContact O-CB 3.34Å; S171-F175 PolarHBondContact O-N 2.86Å; D173-F175 VanDerWaalsContact C-N 3.31Å; D173-F175 PolarHBondContact O-N 2.59Å; F175-M179 HydrophobicContact CD2-CG 4.24Å; F175-M179 HydrophobicContact CE1-CG 4.29Å; F175-M179 HydrophobicContact CE2-CG 3.84Å; F175-M179 HydrophobicContact CE2-SD 4.24Å; F175-M179 HydrophobicContact CZ-CG 3.88Å; F175-M179 HydrophobicContact CZ-SD 4.42Å; F175-M179 WeakPolarHBondContact O-CB 3.43Å; F175-M179 VanDerWaalsContact O-CG 3.25Å; F175-M179 WeakPolarHBondContact O-CG 3.36Å; F175-M179 PolarHBondContact O-N 3.17Å; F175-V196 HydrophobicContact CD1-CB 3.76Å; F175-V196 HydrophobicContact CD1-CG1 3.72Å; F175-V196 HydrophobicContact CD1-CG2 4.37Å; F175-V196 HydrophobicContact CE1-CB 3.97Å; F175-V196 HydrophobicContact CE1-CG1 3.86Å; F175-L198 HydrophobicContact CB-CD2 4.36Å; F175-L198 HydrophobicContact CD1-CD2 4.06Å; F175-L198 HydrophobicContact CG-CD2 4.06Å; F175-C212 HydrophobicContact CE1-CB 3.95Å; F175-C212 HydrophobicContact CZ-CB 4.04Å |
| 176 | A | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | P172 D173 E174 M179 S180 Y194 V196 | P172-A176 WeakPolarHBondContact O-CB 3.37Å; P172-A176 PolarHBondContact O-N 3.23Å; D173-A176 CarbonylContact O-C 3.46Å; D173-A176 WeakPolarHBondContact O-CB 3.29Å; D173-A176 PolarHBondContact O-N 3.32Å; D173-A176 VanDerWaalsContact O-N 3.11Å; E174-A176 VanDerWaalsContact C-N 3.34Å; A176-M179 PolarHBondContact O-N 3.23Å; A176-S180 WeakPolarHBondContact O-CB 3.38Å; A176-S180 PolarHBondContact O-N 3.26Å; A176-Y194 HydrophobicContact CB-CD1 4.14Å; A176-Y194 HydrophobicContact CB-CD2 3.43Å; A176-Y194 VanDerWaalsContact CB-CD2 3.43Å; A176-Y194 HydrophobicContact CB-CE2 3.98Å; A176-Y194 HydrophobicContact CB-CG 3.5Å; A176-V196 HydrophobicContact CB-CG1 4.29Å |
| 177 | E | 91.6 | Very high | 90.5 | Very high | 133 Ų | 133 | 52.8 Ų | 52.8 | 62% | 0.621 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 174.9 | -75.6 | -179 | -174.8 | 0 | 0 | 112.3 | D173 E174 S180 | D173-E177 WeakPolarHBondContact O-CG 3.47Å; D173-E177 PolarHBondContact O-N 2.91Å; E174-E177 PolarHBondContact O-N 3.47Å; E177-S180 WeakPolarHBondContact O-CB 3.33Å; E177-S180 PolarHBondContact O-N 3.24Å |
| 178 | L | 90.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -51.5 | 173.7 | 178.2 | 69.4 | 0 | 0 | 0 | 111.2 | E174 S180 K181 V232 L237 | E174-L178 WeakPolarHBondContact O-CB 3.43Å; E174-L178 PolarHBondContact O-N 3.44Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.86Å; L178-K181 HydrophobicContact CD1-CD 4.4Å; L178-K181 WeakPolarHBondContact O-CB 3.44Å; L178-K181 WeakPolarHBondContact O-CG 3.39Å; L178-K181 PolarHBondContact O-N 3.03Å; L178-V232 HydrophobicContact CD1-CG2 4.03Å; L178-V232 HydrophobicContact CD2-CG2 4.14Å; L178-L237 HydrophobicContact CD2-CD1 3.41Å; L178-L237 VanDerWaalsContact CD2-CD1 3.41Å |
| 179 | M | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.9 | -27.9 | -178.3 | -66.5 | -60 | -81.1 | 0 | 0 | 112.5 | V161 V163 F175 A176 K181 C182 V185 C212 Y214 A223 I227 | V161-M179 HydrophobicContact CB-CE 3.99Å; V161-M179 HydrophobicContact CG1-CE 3.69Å; V163-M179 HydrophobicContact CG2-CE 3.68Å; V163-M179 HydrophobicContact CG2-SD 3.88Å; F175-M179 HydrophobicContact CD2-CG 4.24Å; F175-M179 HydrophobicContact CE1-CG 4.29Å; F175-M179 HydrophobicContact CE2-CG 3.84Å; F175-M179 HydrophobicContact CE2-SD 4.24Å; F175-M179 HydrophobicContact CZ-CG 3.88Å; F175-M179 HydrophobicContact CZ-SD 4.42Å; F175-M179 WeakPolarHBondContact O-CB 3.43Å; F175-M179 VanDerWaalsContact O-CG 3.25Å; F175-M179 WeakPolarHBondContact O-CG 3.36Å; F175-M179 PolarHBondContact O-N 3.17Å; A176-M179 PolarHBondContact O-N 3.23Å; M179-K181 PolarHBondContact O-N 3.41Å; M179-C182 PolarHBondContact O-N 3Å; M179-V185 HydrophobicContact CB-CG2 3.98Å; M179-C212 HydrophobicContact CE-CB 3.57Å; M179-C212 HydrophobicContact CG-CB 4.1Å; M179-Y214 HydrophobicContact CE-CE2 3.87Å; M179-Y214 WeakPolarHBondContact CE-OH 3.43Å; M179-Y214 WeakPolarHBondContact O-CE1 3.28Å; M179-Y214 PolarHBondContact O-OH 3.31Å; M179-A223 HydrophobicContact CE-CB 4.38Å; M179-I227 HydrophobicContact SD-CD1 3.67Å |
| 180 | S | 92.9 | Very high | 89.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 42% | 0.42 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -28.5 | 176 | -167 | 0 | 0 | 0 | 0 | 112.8 | A176 E177 L178 C182 G183 | A176-S180 WeakPolarHBondContact O-CB 3.38Å; A176-S180 PolarHBondContact O-N 3.26Å; E177-S180 WeakPolarHBondContact O-CB 3.33Å; E177-S180 PolarHBondContact O-N 3.24Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.86Å; S180-C182 PolarHBondContact O-N 2.73Å; S180-G183 CarbonylContact C-O 3.52Å; S180-G183 WeakPolarHBondContact CA-O 3.47Å; S180-G183 PolarHBondContact O-N 3.37Å |
| 181 | K | 89.3 | Confident | 89.6 | Confident | 162 Ų | 162 | 53.2 Ų | 53.2 | 70% | 0.704 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.3 | 178.4 | -62.1 | 173.4 | -173.4 | 172.6 | 0 | 113.5 | L178 M179 | L178-K181 HydrophobicContact CD1-CD 4.4Å; L178-K181 WeakPolarHBondContact O-CB 3.44Å; L178-K181 WeakPolarHBondContact O-CG 3.39Å; L178-K181 PolarHBondContact O-N 3.03Å; M179-K181 PolarHBondContact O-N 3.41Å |
| 182 | C | 88.9 | Confident | 89.2 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -0.4 | -178.6 | -67.6 | 0 | 0 | 0 | 0 | 114.1 | M179 S180 L222 A223 L226 I227 | M179-C182 PolarHBondContact O-N 3Å; S180-C182 PolarHBondContact O-N 2.73Å; C182-L222 HydrophobicContact CB-CB 4.28Å; C182-A223 HydrophobicContact CB-CB 4.16Å; C182-L226 VanDerWaalsContact SG-CB 3.51Å; C182-I227 HydrophobicContact CB-CD1 3.97Å; C182-I227 HydrophobicContact CB-CG1 4.37Å; C182-I227 WeakPolarHBondContact SG-CG1 3.21Å |
| 183 | G | 89.9 | Confident | 89 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 156.8 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | S180 V185 Y214 | S180-G183 CarbonylContact C-O 3.52Å; S180-G183 WeakPolarHBondContact CA-O 3.47Å; S180-G183 PolarHBondContact O-N 3.37Å; G183-V185 PolarHBondContact O-N 3.17Å; G183-V185 VanDerWaalsContact O-N 3.15Å; G183-Y214 WeakPolarHBondContact O-CE1 3.33Å |
| 184 | I | 90.5 | Very high | 89 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 45% | 0.446 | 29% | 0.291 | S | S | . | . | trans | -81.4 | 106 | -170 | -58.5 | 178.5 | 0 | 0 | 0 | 109.4 | M186 L215 L273 | I184-M186 PolarHBondContact O-N 3Å; I184-L215 HydrophobicContact CG2-CD2 4.36Å; I184-L215 WeakPolarHBondContact O-CB 3.46Å; I184-L215 PolarHBondContact O-N 3.19Å; I184-L273 HydrophobicContact CD1-CD1 3.77Å; I184-L273 HydrophobicContact CD1-CD2 3.32Å; I184-L273 HydrophobicContact CD1-CG 4.19Å | ||
| 185 | V | 92.5 | Very high | 89 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 131.1 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | M179 G183 R187 Y194 V196 Y214 | M179-V185 HydrophobicContact CB-CG2 3.98Å; G183-V185 PolarHBondContact O-N 3.17Å; G183-V185 VanDerWaalsContact O-N 3.15Å; V185-R187 PolarHBondContact O-N 3.41Å; V185-Y194 HydrophobicContact CB-CD1 4Å; V185-Y194 HydrophobicContact CG1-CD1 3.97Å; V185-Y194 HydrophobicContact CG1-CG 4.43Å; V185-V196 HydrophobicContact CG1-CG1 4.11Å; V185-Y214 HydrophobicContact CG2-CD1 4.32Å; V185-Y214 HydrophobicContact CG2-CE1 3.99Å |
| 186 | M | 89.5 | Confident | 89 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 118.9 | 179.2 | -176.3 | 178.5 | -61.8 | 0 | 0 | 109.2 | I184 K195 C213 L215 | I184-M186 PolarHBondContact O-N 3Å; M186-K195 HydrophobicContact CB-CB 4.28Å; M186-K195 HydrophobicContact CB-CD 4.39Å; M186-K195 HydrophobicContact CG-CD 4.13Å; M186-K195 WeakPolarHBondContact O-CB 3.25Å; M186-K195 PolarHBondContact O-N 3.1Å; M186-K195 HydrophobicContact SD-CD 3.61Å; M186-C213 VanDerWaalsContact CB-O 3.29Å; M186-C213 WeakPolarHBondContact CB-O 3.36Å; M186-C213 PolarHBondContact N-O 2.85Å; M186-L215 HydrophobicContact CE-CD1 4.29Å |
| 187 | R | 90.4 | Very high | 89 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 143.7 | 168 | -68.2 | -176 | 179.7 | 179.2 | 2.1 | 109.7 | V185 P189 E192 E193 Y194 | V185-R187 PolarHBondContact O-N 3.41Å; R187-P189 WeakPolarHBondContact O-CD 3.37Å; R187-E192 WeakPolarHBondContact CD-O 3.35Å; R187-E193 CarbonylContact C-O 3.56Å; R187-E193 WeakPolarHBondContact CA-O 3.34Å; R187-Y194 HydrophobicContact CG-CD1 3.77Å; R187-Y194 HydrophobicContact CG-CE1 3.95Å; R187-Y194 VanDerWaalsContact NE-CE1 3.31Å; R187-Y194 PolarHBondContact NH2-OH 2.92Å |
| 188 | D | 86.4 | Confident | 89 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 126.5 | 173.5 | -162.8 | -70.2 | 0 | 0 | 0 | 109.7 | I190 E192 E193 | D188-I190 PolarHBondContact O-N 3.3Å; D188-I190 PolarHBondContact OD1-N 2.84Å; D188-E192 VanDerWaalsContact O-CA 3.3Å; D188-E192 WeakPolarHBondContact O-CA 3.44Å; D188-E192 PolarHBondContact O-N 2.83Å; D188-E193 PolarHBondContact N-O 3.33Å |
| 189 | P | 82.4 | Confident | 89.1 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -11 | 177.4 | -26 | 34.9 | 0 | 0 | 0 | 116.1 | R187 Y262 K265 L266 | R187-P189 WeakPolarHBondContact O-CD 3.37Å; P189-Y262 HydrophobicContact CB-CD2 4.28Å; P189-Y262 HydrophobicContact CB-CE2 4.35Å; P189-Y262 HydrophobicContact CG-CD1 4.46Å; P189-Y262 HydrophobicContact CG-CD2 4.29Å; P189-Y262 HydrophobicContact CG-CE1 4.12Å; P189-Y262 HydrophobicContact CG-CE2 3.98Å; P189-K265 HydrophobicContact CB-CB 3.69Å; P189-K265 HydrophobicContact CB-CD 4.04Å; P189-K265 WeakPolarHBondContact O-CD 3.3Å; P189-K265 WeakPolarHBondContact O-CE 3.42Å; P189-K265 PolarHBondContact O-NZ 2.95Å; P189-L266 HydrophobicContact CG-CB 4.22Å; P189-L266 HydrophobicContact CG-CD1 4.48Å |
| 190 | I | 81.9 | Confident | 89.1 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 60% | 0.595 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -51.1 | 179.2 | -60 | 176.8 | 0 | 0 | 0 | 111.8 | D188 Y262 | D188-I190 PolarHBondContact O-N 3.3Å; D188-I190 PolarHBondContact OD1-N 2.84Å; I190-Y262 HydrophobicContact CD1-CD2 3.82Å; I190-Y262 HydrophobicContact CG1-CD2 3.99Å |
| 191 | T | 83.8 | Confident | 89.1 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 47% | 0.466 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -10.7 | -175.8 | 63.8 | 0 | 0 | 0 | 0 | 114 | E193 | T191-E193 VanDerWaalsContact CB-OE2 3.29Å; T191-E193 WeakPolarHBondContact CB-OE2 3.25Å; T191-E193 PolarHBondContact O-N 2.84Å; T191-E193 PolarHBondContact OG1-OE2 2.84Å |
| 192 | E | 81.5 | Confident | 89.2 | Confident | 137 Ų | 137 | 76 Ų | 76 | 64% | 0.64 | 36% | 0.358 | S | S | * | . | trans | 61.9 | -9.7 | -175.2 | -55.4 | -169.1 | 172.9 | 0 | 0 | 115.7 | R187 D188 | R187-E192 WeakPolarHBondContact CD-O 3.35Å; D188-E192 VanDerWaalsContact O-CA 3.3Å; D188-E192 WeakPolarHBondContact O-CA 3.44Å; D188-E192 PolarHBondContact O-N 2.83Å | ||
| 193 | E | 87.5 | Confident | 89 | Confident | 131 Ų | 131 | 82.1 Ų | 82.1 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | trans | -57.3 | 147.5 | 170.3 | -62.7 | 165.4 | 150.2 | 0 | 0 | 111.9 | R187 D188 T191 | R187-E193 CarbonylContact C-O 3.56Å; R187-E193 WeakPolarHBondContact CA-O 3.34Å; D188-E193 PolarHBondContact N-O 3.33Å; T191-E193 VanDerWaalsContact CB-OE2 3.29Å; T191-E193 WeakPolarHBondContact CB-OE2 3.25Å; T191-E193 PolarHBondContact O-N 2.84Å; T191-E193 PolarHBondContact OG1-OE2 2.84Å | ||
| 194 | Y | 91.1 | Very high | 88.7 | Confident | 66 Ų | 66 | 83.6 Ų | 83.6 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 135.9 | 172.6 | -63.2 | -73.7 | 0 | 0 | 0 | 110.9 | A176 V185 R187 V196 | A176-Y194 HydrophobicContact CB-CD1 4.14Å; A176-Y194 HydrophobicContact CB-CD2 3.43Å; A176-Y194 VanDerWaalsContact CB-CD2 3.43Å; A176-Y194 HydrophobicContact CB-CE2 3.98Å; A176-Y194 HydrophobicContact CB-CG 3.5Å; V185-Y194 HydrophobicContact CB-CD1 4Å; V185-Y194 HydrophobicContact CG1-CD1 3.97Å; V185-Y194 HydrophobicContact CG1-CG 4.43Å; R187-Y194 HydrophobicContact CG-CD1 3.77Å; R187-Y194 HydrophobicContact CG-CE1 3.95Å; R187-Y194 VanDerWaalsContact NE-CE1 3.31Å; R187-Y194 PolarHBondContact NH2-OH 2.92Å; Y194-V196 PolarHBondContact O-N 2.88Å |
| 195 | K | 90.4 | Very high | 88.5 | Confident | 84 Ų | 84 | 84.8 Ų | 84.8 | 37% | 0.365 | 41% | 0.412 | S | S | . | . | trans | -80 | 64.2 | 179.1 | -166.9 | -175.1 | 167 | -144.4 | 0 | 111 | M186 C213 | M186-K195 HydrophobicContact CB-CB 4.28Å; M186-K195 HydrophobicContact CB-CD 4.39Å; M186-K195 HydrophobicContact CG-CD 4.13Å; M186-K195 WeakPolarHBondContact O-CB 3.25Å; M186-K195 PolarHBondContact O-N 3.1Å; M186-K195 HydrophobicContact SD-CD 3.61Å; K195-C213 HydrophobicContact CB-CB 4.28Å; K195-C213 HydrophobicContact CD-CB 3.81Å; K195-C213 HydrophobicContact CG-CB 4.05Å; K195-C213 PolarHBondContact NZ-SG 3.16Å; K195-C213 PolarHBondContact O-N 3Å | ||
| 196 | V | 93.1 | Very high | 88.3 | Confident | 27 Ų | 27 | 85.8 Ų | 85.8 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 150.3 | 172.9 | -65.2 | 0 | 0 | 0 | 0 | 110 | P172 F175 A176 V185 Y194 L211 C212 | P172-V196 HydrophobicContact CB-CG2 3.98Å; F175-V196 HydrophobicContact CD1-CB 3.76Å; F175-V196 HydrophobicContact CD1-CG1 3.72Å; F175-V196 HydrophobicContact CD1-CG2 4.37Å; F175-V196 HydrophobicContact CE1-CB 3.97Å; F175-V196 HydrophobicContact CE1-CG1 3.86Å; A176-V196 HydrophobicContact CB-CG1 4.29Å; V185-V196 HydrophobicContact CG1-CG1 4.11Å; Y194-V196 PolarHBondContact O-N 2.88Å; V196-L211 CarbonylContact C-O 3.58Å; V196-L211 WeakPolarHBondContact CA-O 3.18Å; V196-C212 HydrophobicContact CG1-CB 4.46Å |
| 197 | K | 91.9 | Very high | 88.4 | Confident | 125 Ų | 125 | 89.4 Ų | 89.4 | 54% | 0.543 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 104.5 | 177.7 | -178.6 | 179.2 | 179.1 | 177.6 | 0 | 109.9 | G210 L211 | K197-G210 CarbonylContact O-C 3.59Å; K197-G210 WeakPolarHBondContact O-CA 3.39Å; K197-L211 HydrophobicContact CB-CB 4.37Å; K197-L211 PolarHBondContact N-O 3.3Å; K197-L211 PolarHBondContact O-N 2.94Å |
| 198 | L | 92.8 | Very high | 88.3 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 133.6 | 171 | -61.9 | 172.2 | 0 | 0 | 0 | 109.6 | L166 I170 P172 F175 L206 | L166-L198 HydrophobicContact CD1-CD2 3.8Å; I170-L198 HydrophobicContact CG2-CD1 4Å; I170-L198 HydrophobicContact CG2-CD2 4.13Å; P172-L198 HydrophobicContact CB-CD1 4.4Å; F175-L198 HydrophobicContact CB-CD2 4.36Å; F175-L198 HydrophobicContact CD1-CD2 4.06Å; F175-L198 HydrophobicContact CG-CD2 4.06Å; L198-L206 HydrophobicContact CD1-CD1 4.45Å |
| 199 | Y | 91.9 | Very high | 88.6 | Confident | 78 Ų | 78 | 83 Ų | 83 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 142.6 | 175.9 | -67.1 | -83 | 0 | 0 | 0 | 110.4 | Y162 K207 D209 L211 | Y162-Y199 HydrophobicContact CD2-CE2 4.36Å; Y162-Y199 HydrophobicContact CE2-CD2 4.32Å; Y162-Y199 AromaticContact CE2-CE2 3.96Å; Y162-Y199 HydrophobicContact CE2-CE2 3.96Å; Y199-K207 PolarHBondContact O-N 3.17Å; Y199-D209 HydrophobicContact CD2-CB 4.16Å; Y199-D209 PolarHBondContact N-O 3.32Å; Y199-L211 HydrophobicContact CE2-CB 4.04Å |
| 200 | K | 92.7 | Very high | 89.1 | Confident | 140 Ų | 140 | 82.9 Ų | 82.9 | 61% | 0.609 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.3 | 177.1 | -55.6 | -163.8 | 176 | -162.5 | 0 | 109.5 | N205 L206 | K200-N205 CarbonylContact C-O 3.55Å; K200-N205 WeakPolarHBondContact CA-O 3.4Å; K200-N205 WeakPolarHBondContact CB-O 3.38Å; K200-L206 HydrophobicContact CD-CD2 4.17Å; K200-L206 HydrophobicContact CG-CD2 3.91Å |
| 201 | D | 92.4 | Very high | 89.7 | Confident | 71 Ų | 71 | 78.7 Ų | 78.7 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | trans | -75.2 | 172.8 | 172.1 | -79.3 | -44.9 | 0 | 0 | 0 | 111.5 | D203 G204 N205 K207 | D201-D203 PolarHBondContact O-N 3.07Å; D201-G204 PolarHBondContact O-N 3.33Å; D201-N205 PolarHBondContact N-O 2.84Å; D201-K207 WeakPolarHBondContact OD1-CD 3.41Å; D201-K207 WeakPolarHBondContact OD1-CG 3.08Å; D201-K207 WeakPolarHBondContact OD2-CA 3.44Å | ||
| 202 | K | 90.7 | Very high | 90.2 | Very high | 213 Ų | 213 | 75 Ų | 75 | 93% | 0.926 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.6 | -177.3 | -64 | 176.4 | -176.6 | 172.8 | 0 | 112.5 | G204 | K202-G204 VanDerWaalsContact C-N 3.25Å; K202-G204 PolarHBondContact O-N 3.01Å |
| 203 | D | 86.1 | Confident | 90.7 | Very high | 138 Ų | 138 | 68.7 Ų | 68.7 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 3.4 | 179.4 | -47.8 | -81.4 | 0 | 0 | 0 | 113.2 | D201 N205 | D201-D203 PolarHBondContact O-N 3.07Å; D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 PolarHBondContact O-N 3.39Å |
| 204 | G | 83.1 | Confident | 91 | Very high | 45 Ų | 45 | 62.4 Ų | 62.4 | 46% | 0.464 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 84.7 | -9.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D201 K202 | D201-G204 PolarHBondContact O-N 3.33Å; K202-G204 VanDerWaalsContact C-N 3.25Å; K202-G204 PolarHBondContact O-N 3.01Å |
| 205 | N | 87.3 | Confident | 91 | Very high | 112 Ų | 112 | 60.3 Ų | 60.3 | 60% | 0.599 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -67.9 | 154.8 | 173.1 | -62.4 | -38.3 | 0 | 0 | 0 | 111.4 | K200 D201 D203 | K200-N205 CarbonylContact C-O 3.55Å; K200-N205 WeakPolarHBondContact CA-O 3.4Å; K200-N205 WeakPolarHBondContact CB-O 3.38Å; D201-N205 PolarHBondContact N-O 2.84Å; D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 PolarHBondContact O-N 3.39Å |
| 206 | L | 87.7 | Confident | 91 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 135.1 | 171.2 | -57.7 | -170.2 | 0 | 0 | 0 | 109.4 | L168 I170 L198 K200 G208 | L168-L206 WeakPolarHBondContact CD2-O 3.19Å; L168-L206 WeakPolarHBondContact O-CD1 3.34Å; I170-L206 HydrophobicContact CG2-CD1 3.86Å; I170-L206 VanDerWaalsContact O-CD1 3.25Å; I170-L206 WeakPolarHBondContact O-CD1 3.37Å; L198-L206 HydrophobicContact CD1-CD1 4.45Å; K200-L206 HydrophobicContact CD-CD2 4.17Å; K200-L206 HydrophobicContact CG-CD2 3.91Å; L206-G208 PolarHBondContact O-N 3.3Å |
| 207 | K | 90.8 | Very high | 90.9 | Very high | 98 Ų | 98 | 64 Ų | 64 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -10.1 | -179.7 | -173.2 | 171.2 | -175.5 | -59.2 | 0 | 113.2 | Y199 D201 D209 | Y199-K207 PolarHBondContact O-N 3.17Å; D201-K207 WeakPolarHBondContact OD1-CD 3.41Å; D201-K207 WeakPolarHBondContact OD1-CG 3.08Å; D201-K207 WeakPolarHBondContact OD2-CA 3.44Å; K207-D209 VanDerWaalsContact C-N 3.27Å; K207-D209 IonicContact NZ-OD2 3.37Å; K207-D209 PolarHBondContact NZ-OD2 3.4Å |
| 208 | G | 89.6 | Confident | 90.9 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | 12.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S164 G165 L166 L206 | S164-G208 CarbonylContact C-O 3.6Å; G165-G208 PolarHBondContact N-O 2.88Å; L166-G208 WeakPolarHBondContact CB-O 3.49Å; L166-G208 PolarHBondContact N-O 2.91Å; L166-G208 WeakPolarHBondContact O-CA 3.34Å; L206-G208 PolarHBondContact O-N 3.3Å |
| 209 | D | 92.7 | Very high | 90.9 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 145.9 | 179.9 | -66.2 | -34.2 | 0 | 0 | 0 | 111.4 | Y162 V163 S164 Y199 K207 | Y162-D209 HydrophobicContact CE2-CB 4.32Å; Y162-D209 WeakPolarHBondContact OH-CB 3.42Å; Y162-D209 PolarHBondContact OH-OD1 2.95Å; Y162-D209 PolarHBondContact OH-OD2 2.69Å; V163-D209 CarbonylContact O-C 3.6Å; V163-D209 WeakPolarHBondContact O-CA 3.04Å; S164-D209 WeakPolarHBondContact CA-OD1 3.41Å; S164-D209 WeakPolarHBondContact CB-OD1 3.47Å; Y199-D209 HydrophobicContact CD2-CB 4.16Å; Y199-D209 PolarHBondContact N-O 3.32Å; K207-D209 VanDerWaalsContact C-N 3.27Å; K207-D209 IonicContact NZ-OD2 3.37Å; K207-D209 PolarHBondContact NZ-OD2 3.4Å |
| 210 | G | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y162 V163 K197 | Y162-G210 WeakPolarHBondContact CA-O 3.2Å; V163-G210 PolarHBondContact N-O 3.34Å; V163-G210 PolarHBondContact O-N 3.19Å; K197-G210 CarbonylContact O-C 3.59Å; K197-G210 WeakPolarHBondContact O-CA 3.39Å |
| 211 | L | 93.6 | Very high | 90.9 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.2 | 170.7 | -172.6 | 78.5 | 0 | 0 | 0 | 109.1 | N160 V161 V196 K197 Y199 A242 F244 | N160-L211 HydrophobicContact CB-CD1 4.19Å; V161-L211 CarbonylContact O-C 3.51Å; V161-L211 WeakPolarHBondContact O-CA 3.44Å; V196-L211 CarbonylContact C-O 3.58Å; V196-L211 WeakPolarHBondContact CA-O 3.18Å; K197-L211 HydrophobicContact CB-CB 4.37Å; K197-L211 PolarHBondContact N-O 3.3Å; K197-L211 PolarHBondContact O-N 2.94Å; Y199-L211 HydrophobicContact CE2-CB 4.04Å; L211-A242 HydrophobicContact CD1-CB 3.51Å; L211-F244 HydrophobicContact CD1-CE1 4.5Å; L211-F244 HydrophobicContact CD1-CZ 4.09Å; L211-F244 HydrophobicContact CD2-CE1 4.29Å; L211-F244 HydrophobicContact CD2-CZ 4.24Å |
| 212 | C | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.3 | 171.9 | -171.5 | 0 | 0 | 0 | 0 | 110 | N160 V161 F175 M179 V196 | N160-C212 CarbonylContact C-O 3.56Å; N160-C212 VanDerWaalsContact CA-O 3.25Å; N160-C212 WeakPolarHBondContact CA-O 3.46Å; V161-C212 PolarHBondContact N-O 2.68Å; V161-C212 PolarHBondContact O-N 3.45Å; F175-C212 HydrophobicContact CE1-CB 3.95Å; F175-C212 HydrophobicContact CZ-CB 4.04Å; M179-C212 HydrophobicContact CE-CB 3.57Å; M179-C212 HydrophobicContact CG-CB 4.1Å; V196-C212 HydrophobicContact CG1-CB 4.46Å |
| 213 | C | 92.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.2 | 172.1 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | N160 M186 K195 | N160-C213 WeakPolarHBondContact OD1-CB 3.27Å; N160-C213 PolarHBondContact OD1-SG 3.07Å; M186-C213 VanDerWaalsContact CB-O 3.29Å; M186-C213 WeakPolarHBondContact CB-O 3.36Å; M186-C213 PolarHBondContact N-O 2.85Å; K195-C213 HydrophobicContact CB-CB 4.28Å; K195-C213 HydrophobicContact CD-CB 3.81Å; K195-C213 HydrophobicContact CG-CB 4.05Å; K195-C213 PolarHBondContact NZ-SG 3.16Å; K195-C213 PolarHBondContact O-N 3Å |
| 214 | Y | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 156.5 | 173.6 | -72.3 | -68 | 0 | 0 | 0 | 112.1 | T159 V161 M179 G183 V185 K216 V220 A223 | T159-Y214 WeakPolarHBondContact CB-O 3.3Å; T159-Y214 PolarHBondContact O-N 3.38Å; V161-Y214 HydrophobicContact CB-CE2 4.35Å; V161-Y214 HydrophobicContact CG2-CD2 3.89Å; V161-Y214 HydrophobicContact CG2-CE2 3.74Å; M179-Y214 HydrophobicContact CE-CE2 3.87Å; M179-Y214 WeakPolarHBondContact CE-OH 3.43Å; M179-Y214 WeakPolarHBondContact O-CE1 3.28Å; M179-Y214 PolarHBondContact O-OH 3.31Å; G183-Y214 WeakPolarHBondContact O-CE1 3.33Å; V185-Y214 HydrophobicContact CG2-CD1 4.32Å; V185-Y214 HydrophobicContact CG2-CE1 3.99Å; Y214-K216 WeakPolarHBondContact CB-O 3.32Å; Y214-V220 HydrophobicContact CD2-CG2 4.15Å; Y214-A223 HydrophobicContact CE2-CB 3.82Å |
| 215 | L | 91.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -78.8 | -23 | 174 | -174.3 | 50.8 | 0 | 0 | 0 | 112.6 | I184 M186 L266 L273 | I184-L215 HydrophobicContact CG2-CD2 4.36Å; I184-L215 WeakPolarHBondContact O-CB 3.46Å; I184-L215 PolarHBondContact O-N 3.19Å; M186-L215 HydrophobicContact CE-CD1 4.29Å; L215-L266 HydrophobicContact CD1-CD1 4.43Å; L215-L273 HydrophobicContact CD2-CD1 3.46Å; L215-L273 VanDerWaalsContact CD2-CD1 3.46Å; L215-L273 HydrophobicContact CG-CD1 4.2Å |
| 216 | K | 90.7 | Very high | 92 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -123.9 | 148.3 | 176.2 | -67.3 | -63 | -163.4 | -174.3 | 0 | 111 | Y214 | Y214-K216 WeakPolarHBondContact CB-O 3.32Š|
| 217 | K | 90.4 | Very high | 92.1 | Very high | 112 Ų | 112 | 47.7 Ų | 47.7 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -70.4 | -30.3 | 174.5 | 66.8 | 162.1 | -173.9 | 163.4 | 0 | 113.2 | D156 T159 S219 V220 | D156-K217 WeakPolarHBondContact O-CD 3.31Å; D156-K217 PolarHBondContact O-NZ 3.15Å; T159-K217 HydrophobicContact CG2-CB 4.18Å; K217-S219 PolarHBondContact O-N 2.81Å; K217-V220 VanDerWaalsContact O-CB 3.24Å; K217-V220 WeakPolarHBondContact O-CB 3.15Å; K217-V220 PolarHBondContact O-N 3.2Å |
| 218 | E | 91.3 | Very high | 92.2 | Very high | 134 Ų | 134 | 45.5 Ų | 45.5 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.3 | -34.2 | 178.2 | -71.5 | 151.9 | -150.5 | 0 | 0 | 111.7 | V220 A221 L222 | E218-V220 VanDerWaalsContact C-N 3.27Å; E218-V220 PolarHBondContact O-N 3.43Å; E218-A221 PolarHBondContact O-N 2.81Å; E218-L222 WeakPolarHBondContact O-CG 3.41Å; E218-L222 PolarHBondContact O-N 2.95Å |
| 219 | S | 93.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -27 | 174.6 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | K217 A223 | K217-S219 PolarHBondContact O-N 2.81Å; S219-A223 VanDerWaalsContact O-CB 3.31Å; S219-A223 WeakPolarHBondContact O-CB 3.24Å; S219-A223 PolarHBondContact O-N 2.77Å |
| 220 | V | 92.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -52.5 | 171.5 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | N158 V161 Y214 K217 E218 L222 A223 V224 A241 | N158-V220 WeakPolarHBondContact O-CG2 3.19Å; V161-V220 HydrophobicContact CG2-CB 3.97Å; V161-V220 HydrophobicContact CG2-CG1 3.69Å; V161-V220 HydrophobicContact CG2-CG2 3.9Å; Y214-V220 HydrophobicContact CD2-CG2 4.15Å; K217-V220 VanDerWaalsContact O-CB 3.24Å; K217-V220 WeakPolarHBondContact O-CB 3.15Å; K217-V220 PolarHBondContact O-N 3.2Å; E218-V220 VanDerWaalsContact C-N 3.27Å; E218-V220 PolarHBondContact O-N 3.43Å; V220-L222 PolarHBondContact O-N 2.97Å; V220-A223 PolarHBondContact O-N 2.72Å; V220-A223 VanDerWaalsContact O-N 3.15Å; V220-V224 WeakPolarHBondContact O-CG2 3.49Å; V220-V224 PolarHBondContact O-N 3.37Å; V220-A241 HydrophobicContact CG1-CB 4.2Å |
| 221 | A | 92.6 | Very high | 92 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -27.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | E218 R225 | E218-A221 PolarHBondContact O-N 2.81Å; A221-R225 VanDerWaalsContact O-CD 3.3Å; A221-R225 WeakPolarHBondContact O-CD 3.33Å; A221-R225 VanDerWaalsContact O-CG 3.23Å; A221-R225 WeakPolarHBondContact O-CG 3.41Å |
| 222 | L | 92.8 | Very high | 91.6 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.5 | -44.4 | 170.6 | -68.1 | 175.2 | 0 | 0 | 0 | 112 | C182 E218 V220 V224 R225 L226 | C182-L222 HydrophobicContact CB-CB 4.28Å; E218-L222 WeakPolarHBondContact O-CG 3.41Å; E218-L222 PolarHBondContact O-N 2.95Å; V220-L222 PolarHBondContact O-N 2.97Å; L222-V224 PolarHBondContact O-N 3.42Å; L222-R225 PolarHBondContact O-N 3.36Å; L222-L226 HydrophobicContact CD2-CD1 4.47Å; L222-L226 WeakPolarHBondContact O-CD1 3.43Å; L222-L226 PolarHBondContact O-N 2.9Å |
| 223 | A | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V161 M179 C182 Y214 S219 V220 R225 L226 I227 V239 | V161-A223 HydrophobicContact CG2-CB 4.43Å; M179-A223 HydrophobicContact CE-CB 4.38Å; C182-A223 HydrophobicContact CB-CB 4.16Å; Y214-A223 HydrophobicContact CE2-CB 3.82Å; S219-A223 VanDerWaalsContact O-CB 3.31Å; S219-A223 WeakPolarHBondContact O-CB 3.24Å; S219-A223 PolarHBondContact O-N 2.77Å; V220-A223 PolarHBondContact O-N 2.72Å; V220-A223 VanDerWaalsContact O-N 3.15Å; A223-R225 PolarHBondContact O-N 2.72Å; A223-L226 PolarHBondContact O-N 2.83Å; A223-I227 HydrophobicContact CB-CD1 4.23Å; A223-I227 WeakPolarHBondContact O-CB 3.26Å; A223-I227 PolarHBondContact O-N 2.82Å; A223-V239 HydrophobicContact CB-CG1 4.15Å |
| 224 | V | 93.1 | Very high | 90.8 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -22.6 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | V220 L222 D228 V239 | V220-V224 WeakPolarHBondContact O-CG2 3.49Å; V220-V224 PolarHBondContact O-N 3.37Å; L222-V224 PolarHBondContact O-N 3.42Å; V224-D228 WeakPolarHBondContact O-CB 3.29Å; V224-V239 HydrophobicContact CG2-CG1 4.3Å |
| 225 | R | 91.9 | Very high | 90.6 | Very high | 193 Ų | 193 | 73.2 Ų | 73.2 | 73% | 0.728 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -96.6 | -22.4 | 179.8 | -70.5 | 173.9 | -170.9 | 167.1 | 3.8 | 114.6 | A221 L222 A223 | A221-R225 VanDerWaalsContact O-CD 3.3Å; A221-R225 WeakPolarHBondContact O-CD 3.33Å; A221-R225 VanDerWaalsContact O-CG 3.23Å; A221-R225 WeakPolarHBondContact O-CG 3.41Å; L222-R225 PolarHBondContact O-N 3.36Å; A223-R225 PolarHBondContact O-N 2.72Å |
| 226 | L | 91.3 | Very high | 90.6 | Very high | 113 Ų | 113 | 79.1 Ų | 79.1 | 59% | 0.592 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -118.5 | -26.4 | -170.7 | -83.7 | 79.2 | 0 | 0 | 0 | 114.1 | C182 L222 A223 | C182-L226 VanDerWaalsContact SG-CB 3.51Å; L222-L226 HydrophobicContact CD2-CD1 4.47Å; L222-L226 WeakPolarHBondContact O-CD1 3.43Å; L222-L226 PolarHBondContact O-N 2.9Å; A223-L226 PolarHBondContact O-N 2.83Å |
| 227 | I | 90.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -21.7 | -179.4 | -50.7 | -179.1 | 0 | 0 | 0 | 110.8 | M179 C182 A223 S230 L237 V239 | M179-I227 HydrophobicContact SD-CD1 3.67Å; C182-I227 HydrophobicContact CB-CD1 3.97Å; C182-I227 HydrophobicContact CB-CG1 4.37Å; C182-I227 WeakPolarHBondContact SG-CG1 3.21Å; A223-I227 HydrophobicContact CB-CD1 4.23Å; A223-I227 WeakPolarHBondContact O-CB 3.26Å; A223-I227 PolarHBondContact O-N 2.82Å; I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 2.94Å; I227-S230 PolarHBondContact O-OG 3.11Å; I227-L237 HydrophobicContact CG2-CD1 4.3Å; I227-V239 HydrophobicContact CB-CG2 3.94Å; I227-V239 HydrophobicContact CG2-CG2 3.78Å |
| 228 | D | 92.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 74 Ų | 74 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 139.9 | 173.1 | -159.3 | 41.1 | 0 | 0 | 0 | 111.4 | V224 S230 H238 V239 | V224-D228 WeakPolarHBondContact O-CB 3.29Å; D228-S230 PolarHBondContact O-N 3.05Å; D228-H238 VanDerWaalsContact OD1-CA 3.32Å; D228-H238 WeakPolarHBondContact OD1-CA 3.37Å; D228-H238 IonicContact OD1-CE1 2.94Å; D228-H238 IonicContact OD1-CG 2.75Å; D228-H238 IonicContact OD1-ND1 3.44Å; D228-H238 PolarHBondContact OD1-ND1 3.05Å; D228-V239 HydrophobicContact CB-CB 4.16Å; D228-V239 PolarHBondContact OD1-N 2.81Å |
| 229 | E | 90 | Very high | 91 | Very high | 142 Ų | 142 | 67.8 Ų | 67.8 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 5.2 | -167.4 | -54.1 | -163 | 151.8 | 0 | 0 | 117 | L237 | E229-L237 VanDerWaalsContact CA-O 3.22Å; E229-L237 WeakPolarHBondContact CA-O 3.45Å; E229-L237 PolarHBondContact N-O 3.47Å |
| 230 | S | 90.1 | Very high | 91 | Very high | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | trans | -67.3 | 141.4 | -178.5 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | I227 D228 L237 | I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 2.94Å; I227-S230 PolarHBondContact O-OG 3.11Å; D228-S230 PolarHBondContact O-N 3.05Å; S230-L237 PolarHBondContact O-N 3.3Å | ||
| 231 | E | 90.4 | Very high | 91 | Very high | 141 Ų | 141 | 72.5 Ų | 72.5 | 66% | 0.659 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.8 | -178.4 | -168.9 | 176.5 | 165.7 | 0 | 0 | 111.2 | G234 Y235 | E231-G234 WeakPolarHBondContact OE1-CA 3.48Å; E231-Y235 CarbonylContact C-O 3.59Å; E231-Y235 WeakPolarHBondContact CA-O 3.45Å |
| 232 | V | 85.7 | Confident | 90.8 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.3 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | P167 L178 G234 Y235 L237 | P167-V232 HydrophobicContact CG-CG1 4.42Å; L178-V232 HydrophobicContact CD1-CG2 4.03Å; L178-V232 HydrophobicContact CD2-CG2 4.14Å; V232-G234 PolarHBondContact O-N 3.44Å; V232-G234 VanDerWaalsContact O-N 3.16Å; V232-Y235 PolarHBondContact N-O 3.19Å; V232-Y235 PolarHBondContact O-N 3.05Å; V232-L237 HydrophobicContact CB-CD1 4.16Å; V232-L237 HydrophobicContact CB-CG 4.35Å; V232-L237 HydrophobicContact CG2-CD1 3.61Å; V232-L237 HydrophobicContact CG2-CG 4.15Å |
| 233 | R | 84.2 | Confident | 90.4 | Very high | 132 Ų | 132 | 76.9 Ų | 76.9 | 50% | 0.498 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30.7 | -178.9 | -55.2 | -179.8 | -179.6 | -154.4 | -3.4 | 114.3 | D169 E174 | D169-R233 VanDerWaalsContact CG-NH1 3.27Å; D169-R233 IonicContact OD1-NH1 2.59Å; D169-R233 PolarHBondContact OD1-NH1 3.21Å; D169-R233 IonicContact OD2-CZ 2.8Å; D169-R233 IonicContact OD2-NH1 3.88Å; D169-R233 PolarHBondContact OD2-NH1 2.82Å; E174-R233 IonicContact OE1-CZ 2.76Å; E174-R233 IonicContact OE1-NE 3.32Å; E174-R233 PolarHBondContact OE1-NE 3.04Å; E174-R233 IonicContact OE1-NH2 2.69Å; E174-R233 PolarHBondContact OE1-NH2 3.36Å; E174-R233 IonicContact OE2-CZ 2.66Å; E174-R233 IonicContact OE2-NE 3.28Å; E174-R233 IonicContact OE2-NH2 3.15Å; E174-R233 PolarHBondContact OE2-NH2 2.98Å |
| 234 | G | 84.9 | Confident | 89.8 | Confident | 54 Ų | 54 | 79.9 Ų | 79.9 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 0.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E231 V232 | E231-G234 WeakPolarHBondContact OE1-CA 3.48Å; V232-G234 PolarHBondContact O-N 3.44Å; V232-G234 VanDerWaalsContact O-N 3.16Å |
| 235 | Y | 89.1 | Confident | 88.9 | Confident | 112 Ų | 112 | 83 Ų | 83 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.2 | 174.7 | -63.6 | -99.4 | 0 | 0 | 0 | 110 | G165 P167 E231 V232 | G165-Y235 VanDerWaalsContact O-CB 3.28Å; G165-Y235 WeakPolarHBondContact O-CB 3.42Å; P167-Y235 HydrophobicContact CB-CD2 3.74Å; P167-Y235 HydrophobicContact CB-CE2 3.94Å; P167-Y235 HydrophobicContact CB-CG 4.34Å; E231-Y235 CarbonylContact C-O 3.59Å; E231-Y235 WeakPolarHBondContact CA-O 3.45Å; V232-Y235 PolarHBondContact N-O 3.19Å; V232-Y235 PolarHBondContact O-N 3.05Å |
| 236 | K | 92.4 | Very high | 88 | Confident | 146 Ų | 146 | 77.4 Ų | 77.4 | 64% | 0.635 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.2 | 172 | -69.4 | -167.1 | 171.5 | -157.9 | 0 | 109.8 | ||
| 237 | L | 93.4 | Very high | 86.5 | Confident | 3 Ų | 3 | 81.8 Ų | 81.8 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 147.8 | 176 | -54.9 | -169.9 | 0 | 0 | 0 | 110.8 | V163 S164 G165 L166 L178 I227 E229 S230 V232 | V163-L237 HydrophobicContact CG1-CB 4.48Å; S164-L237 WeakPolarHBondContact O-CA 3.25Å; G165-L237 VanDerWaalsContact O-CD2 3.27Å; G165-L237 WeakPolarHBondContact O-CD2 3.38Å; L166-L237 HydrophobicContact CD2-CD1 4.13Å; L166-L237 HydrophobicContact CD2-CD2 3.81Å; L166-L237 HydrophobicContact CG-CD2 4.41Å; L178-L237 HydrophobicContact CD2-CD1 3.41Å; L178-L237 VanDerWaalsContact CD2-CD1 3.41Å; I227-L237 HydrophobicContact CG2-CD1 4.3Å; E229-L237 VanDerWaalsContact CA-O 3.22Å; E229-L237 WeakPolarHBondContact CA-O 3.45Å; E229-L237 PolarHBondContact N-O 3.47Å; S230-L237 PolarHBondContact O-N 3.3Å; V232-L237 HydrophobicContact CB-CD1 4.16Å; V232-L237 HydrophobicContact CB-CG 4.35Å; V232-L237 HydrophobicContact CG2-CD1 3.61Å; V232-L237 HydrophobicContact CG2-CG 4.15Å |
| 238 | H | 93.8 | Very high | 85.5 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.9 | 173.4 | -177.2 | 81.5 | 0 | 0 | 0 | 108.9 | V163 S164 D228 E240 | V163-H238 CarbonylContact C-O 3.49Å; V163-H238 WeakPolarHBondContact CA-O 3.49Å; S164-H238 PolarHBondContact N-O 2.92Å; S164-H238 PolarHBondContact O-N 3.2Å; D228-H238 VanDerWaalsContact OD1-CA 3.32Å; D228-H238 WeakPolarHBondContact OD1-CA 3.37Å; D228-H238 IonicContact OD1-CE1 2.94Å; D228-H238 IonicContact OD1-CG 2.75Å; D228-H238 IonicContact OD1-ND1 3.44Å; D228-H238 PolarHBondContact OD1-ND1 3.05Å; H238-E240 IonicContact CD2-OE1 3.22Å; H238-E240 IonicContact CE1-OE1 3.7Å; H238-E240 VanDerWaalsContact NE2-CD 3.3Å; H238-E240 VanDerWaalsContact NE2-CG 3.33Å; H238-E240 WeakPolarHBondContact NE2-CG 3.47Å; H238-E240 IonicContact NE2-OE1 2.74Å; H238-E240 PolarHBondContact NE2-OE1 3.2Å |
| 239 | V | 93.9 | Very high | 84.1 | Confident | 2 Ų | 2 | 90.5 Ų | 90.5 | 1% | 0.012 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 112.2 | -163.4 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | V161 V163 A223 V224 I227 D228 | V161-V239 HydrophobicContact CG1-CG1 3.39Å; V163-V239 HydrophobicContact CG1-CG2 4.12Å; V163-V239 HydrophobicContact CG2-CG1 4.39Å; V163-V239 HydrophobicContact CG2-CG2 4.25Å; A223-V239 HydrophobicContact CB-CG1 4.15Å; V224-V239 HydrophobicContact CG2-CG1 4.3Å; I227-V239 HydrophobicContact CB-CG2 3.94Å; I227-V239 HydrophobicContact CG2-CG2 3.78Å; D228-V239 HydrophobicContact CB-CB 4.16Å; D228-V239 PolarHBondContact OD1-N 2.81Å |
| 240 | E | 92.6 | Very high | 82.8 | Confident | 100 Ų | 100 | 87.3 Ų | 87.3 | 47% | 0.467 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.8 | -176.2 | -65.6 | -176.1 | 162 | 0 | 0 | 112.4 | V161 Y162 H238 A242 | V161-E240 CarbonylContact C-O 3.59Å; V161-E240 WeakPolarHBondContact CA-O 3.44Å; V161-E240 WeakPolarHBondContact CG1-O 3.28Å; Y162-E240 PolarHBondContact N-O 2.75Å; Y162-E240 PolarHBondContact O-N 2.73Å; H238-E240 IonicContact CD2-OE1 3.22Å; H238-E240 IonicContact CE1-OE1 3.7Å; H238-E240 VanDerWaalsContact NE2-CD 3.3Å; H238-E240 VanDerWaalsContact NE2-CG 3.33Å; H238-E240 WeakPolarHBondContact NE2-CG 3.47Å; H238-E240 IonicContact NE2-OE1 2.74Å; H238-E240 PolarHBondContact NE2-OE1 3.2Å; E240-A242 PolarHBondContact O-N 3.21Å |
| 241 | A | 91.9 | Very high | 81.7 | Confident | 22 Ų | 22 | 89.8 Ų | 89.8 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 127.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E155 V220 R243 | E155-A241 HydrophobicContact CG-CB 4.14Å; V220-A241 HydrophobicContact CG1-CB 4.2Å; A241-R243 PolarHBondContact O-N 3.44Å |
| 242 | A | 89.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 85.2 Ų | 85.2 | 3% | 0.033 | 42% | 0.419 | C | S | . | . | trans | -69.8 | 109 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112 | N160 L211 E240 F244 | N160-A242 HydrophobicContact CB-CB 3.82Å; N160-A242 WeakPolarHBondContact O-CB 3.34Å; N160-A242 PolarHBondContact O-N 3.15Å; L211-A242 HydrophobicContact CD1-CB 3.51Å; E240-A242 PolarHBondContact O-N 3.21Å; A242-F244 HydrophobicContact CB-CE2 3.74Å; A242-F244 HydrophobicContact CB-CZ 3.89Å; A242-F244 WeakPolarHBondContact O-CD2 3.03Å; A242-F244 VanDerWaalsContact O-CE2 3.29Å; A242-F244 WeakPolarHBondContact O-CE2 3.37Å; A242-F244 PolarHBondContact O-N 3.12Å | ||
| 243 | R | 83.8 | Confident | 79.7 | Confident | 208 Ų | 208 | 90 Ų | 90 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | trans | -81.8 | 112.1 | 177.2 | -168.6 | 177.8 | 174.4 | 163 | -0.2 | 111.3 | A241 E245 | A241-R243 PolarHBondContact O-N 3.44Å; R243-E245 HydrophobicContact CG-CG 4.15Å; R243-E245 IonicContact CZ-OE1 3.97Å; R243-E245 VanDerWaalsContact CZ-OE1 3.28Å; R243-E245 IonicContact NE-OE1 2.79Å; R243-E245 PolarHBondContact NE-OE1 2.86Å; R243-E245 IonicContact NH2-OE1 3.83Å; R243-E245 PolarHBondContact NH2-OE1 3.11Å; R243-E245 PolarHBondContact O-N 3.22Å | ||
| 244 | F | 79.5 | Confident | 78.9 | Confident | 62 Ų | 62 | 91.3 Ų | 91.3 | 27% | 0.272 | 46% | 0.463 | S | S | . | . | trans | -94.7 | 85 | -178.5 | -66.7 | -81 | 0 | 0 | 0 | 112.2 | W150 F151 N160 L211 A242 | W150-F244 WeakPolarHBondContact CZ2-O 3.38Å; W150-F244 PolarHBondContact NE1-O 3.43Å; F151-F244 HydrophobicContact CE2-CB 3.61Å; F151-F244 HydrophobicContact CE2-CD2 4.39Å; F151-F244 HydrophobicContact CE2-CG 4.03Å; F151-F244 HydrophobicContact CZ-CB 4.03Å; F151-F244 HydrophobicContact CZ-CG 4.32Å; N160-F244 HydrophobicContact CB-CE2 3.86Å; N160-F244 HydrophobicContact CB-CZ 3.78Å; N160-F244 WeakPolarHBondContact ND2-CE2 3.25Å; L211-F244 HydrophobicContact CD1-CE1 4.5Å; L211-F244 HydrophobicContact CD1-CZ 4.09Å; L211-F244 HydrophobicContact CD2-CE1 4.29Å; L211-F244 HydrophobicContact CD2-CZ 4.24Å; A242-F244 HydrophobicContact CB-CE2 3.74Å; A242-F244 HydrophobicContact CB-CZ 3.89Å; A242-F244 WeakPolarHBondContact O-CD2 3.03Å; A242-F244 VanDerWaalsContact O-CE2 3.29Å; A242-F244 WeakPolarHBondContact O-CE2 3.37Å; A242-F244 PolarHBondContact O-N 3.12Å | ||
| 245 | E | 74.6 | Confident | 78 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | trans | -81.1 | 143.9 | 172.8 | -58.9 | -173.1 | 157.2 | 0 | 0 | 112 | R243 K247 | R243-E245 HydrophobicContact CG-CG 4.15Å; R243-E245 IonicContact CZ-OE1 3.97Å; R243-E245 VanDerWaalsContact CZ-OE1 3.28Å; R243-E245 IonicContact NE-OE1 2.79Å; R243-E245 PolarHBondContact NE-OE1 2.86Å; R243-E245 IonicContact NH2-OE1 3.83Å; R243-E245 PolarHBondContact NH2-OE1 3.11Å; R243-E245 PolarHBondContact O-N 3.22Å; E245-K247 PolarHBondContact O-N 2.8Å | ||
| 246 | L | 74.4 | Confident | 77.1 | Confident | 77 Ų | 77 | 100.5 Ų | 100.5 | 40% | 0.403 | 49% | 0.49 | S | S | . | . | trans | -70.1 | 90.8 | 178.5 | 178.1 | 50.6 | 0 | 0 | 0 | 111.2 | W150 G248 | W150-L246 HydrophobicContact CB-CD2 4.08Å; W150-L246 HydrophobicContact CD2-CB 3.58Å; W150-L246 HydrophobicContact CD2-CD1 4.01Å; W150-L246 HydrophobicContact CD2-CD2 4.2Å; W150-L246 HydrophobicContact CD2-CG 4.1Å; W150-L246 HydrophobicContact CE3-CB 4.1Å; W150-L246 HydrophobicContact CE3-CD1 3.57Å; W150-L246 HydrophobicContact CE3-CD2 4.26Å; W150-L246 HydrophobicContact CE3-CG 4.15Å; W150-L246 HydrophobicContact CG-CB 3.8Å; W150-L246 HydrophobicContact CG-CD2 4.14Å; W150-L246 HydrophobicContact CG-CG 4.42Å; W150-L246 HydrophobicContact CH2-CB 4.42Å; W150-L246 HydrophobicContact CH2-CD1 4.02Å; W150-L246 HydrophobicContact CZ2-CB 4Å; W150-L246 HydrophobicContact CZ2-CD1 4.46Å; W150-L246 HydrophobicContact CZ3-CB 4.48Å; W150-L246 HydrophobicContact CZ3-CD1 3.57Å; L246-G248 VanDerWaalsContact CD1-O 3.24Å; L246-G248 WeakPolarHBondContact CD1-O 3.5Å; L246-G248 WeakPolarHBondContact CG-O 3.45Å; L246-G248 PolarHBondContact O-N 2.83Å | ||
| 247 | K | 59.3 | Low | 76.4 | Confident | 204 Ų | 204 | 103 Ų | 103 | 89% | 0.887 | 50% | 0.501 | S | S | * | . | trans | -82.4 | 84 | 165.1 | -73.5 | -173.4 | 175.9 | 175.6 | 0 | 110.6 | E245 | E245-K247 PolarHBondContact O-N 2.8Š| ||
| 248 | G | 69.8 | Low | 75.7 | Confident | 57 Ų | 57 | 107.8 Ų | 107.8 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 125.5 | -154.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L246 | L246-G248 VanDerWaalsContact CD1-O 3.24Å; L246-G248 WeakPolarHBondContact CD1-O 3.5Å; L246-G248 WeakPolarHBondContact CG-O 3.45Å; L246-G248 PolarHBondContact O-N 2.83Å |
| 249 | Q | 62.8 | Low | 75.3 | Confident | 185 Ų | 185 | 107.3 Ų | 107.3 | 86% | 0.864 | 53% | 0.527 | S | S | * | . | trans | -99.2 | 135.9 | 175.3 | -165.9 | 160 | -9.9 | 0 | 0 | 109.9 | D251 | Q249-D251 PolarHBondContact O-N 3.03Š| ||
| 250 | Y | 62.9 | Low | 75 | Confident | 75 Ų | 75 | 114.8 Ų | 114.8 | 29% | 0.294 | 56% | 0.559 | S | S | . | * | trans | -79.9 | 101.6 | -171.6 | 179.4 | -114.1 | 0 | 0 | 0 | 113 | P148 W150 A252 | P148-Y250 HydrophobicContact CB-CD1 4.47Å; P148-Y250 HydrophobicContact CB-CE1 4.09Å; P148-Y250 WeakPolarHBondContact O-CD1 3.45Å; P148-Y250 WeakPolarHBondContact O-CE1 3.43Å; W150-Y250 AromaticContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CE2 4.09Å; W150-Y250 HydrophobicContact CE3-CG 4.15Å; W150-Y250 AromaticContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CE2 4.1Å; Y250-A252 HydrophobicContact CD1-CB 4.39Å; Y250-A252 HydrophobicContact CE1-CB 3.91Å; Y250-A252 PolarHBondContact O-N 3.45Å | ||
| 251 | D | 67.2 | Low | 74.6 | Confident | 84 Ų | 84 | 113.9 Ų | 113.9 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | trans | -81.8 | 89.2 | 172 | -73.5 | -39.4 | 0 | 0 | 0 | 111.9 | Q249 S253 K254 | Q249-D251 PolarHBondContact O-N 3.03Å; D251-S253 PolarHBondContact O-N 3.16Å; D251-S253 VanDerWaalsContact O-N 3.08Å; D251-K254 HydrophobicContact CB-CD 3.8Å; D251-K254 HydrophobicContact CB-CG 3.97Å; D251-K254 PolarHBondContact O-N 3Å; D251-K254 VanDerWaalsContact OD2-CE 3.25Å; D251-K254 WeakPolarHBondContact OD2-CE 3.45Å; D251-K254 IonicContact OD2-NZ 3Å; D251-K254 PolarHBondContact OD2-NZ 3.08Å | ||
| 252 | A | 66.3 | Low | 74.3 | Confident | 46 Ų | 46 | 113.9 Ų | 113.9 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -52.7 | -31.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P148 Y250 K254 K255 | P148-A252 HydrophobicContact CB-CB 4.29Å; Y250-A252 HydrophobicContact CD1-CB 4.39Å; Y250-A252 HydrophobicContact CE1-CB 3.91Å; Y250-A252 PolarHBondContact O-N 3.45Å; A252-K254 PolarHBondContact O-N 3.18Å; A252-K255 WeakPolarHBondContact O-CB 3.46Å; A252-K255 PolarHBondContact O-N 2.62Å; A252-K255 VanDerWaalsContact O-N 3.16Å |
| 253 | S | 66.3 | Low | 74.1 | Confident | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -61.2 | -19.5 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 114.6 | D251 K255 | D251-S253 PolarHBondContact O-N 3.16Å; D251-S253 VanDerWaalsContact O-N 3.08Å; S253-K255 VanDerWaalsContact C-N 3.28Å; S253-K255 PolarHBondContact O-N 3.28Å |
| 254 | K | 68.1 | Low | 74.3 | Confident | 160 Ų | 160 | 115.2 Ų | 115.2 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -77.9 | -9.9 | 177.5 | -69.2 | 175.5 | -179.4 | 154.8 | 0 | 113.1 | D251 A252 K256 | D251-K254 HydrophobicContact CB-CD 3.8Å; D251-K254 HydrophobicContact CB-CG 3.97Å; D251-K254 PolarHBondContact O-N 3Å; D251-K254 VanDerWaalsContact OD2-CE 3.25Å; D251-K254 WeakPolarHBondContact OD2-CE 3.45Å; D251-K254 IonicContact OD2-NZ 3Å; D251-K254 PolarHBondContact OD2-NZ 3.08Å; A252-K254 PolarHBondContact O-N 3.18Å; K254-K256 PolarHBondContact O-N 3.03Å |
| 255 | K | 66.6 | Low | 74.5 | Confident | 170 Ų | 170 | 116.7 Ų | 116.7 | 74% | 0.739 | 57% | 0.57 | S | S | * | * | trans | -77.5 | 82.9 | -179.7 | -168.9 | 175.3 | -176.6 | 172.1 | 0 | 112.1 | A252 S253 K257 | A252-K255 WeakPolarHBondContact O-CB 3.46Å; A252-K255 PolarHBondContact O-N 2.62Å; A252-K255 VanDerWaalsContact O-N 3.16Å; S253-K255 VanDerWaalsContact C-N 3.28Å; S253-K255 PolarHBondContact O-N 3.28Å; K255-K257 PolarHBondContact O-N 3.14Å | ||
| 256 | K | 70.2 | Confident | 75.1 | Confident | 190 Ų | 190 | 113.4 Ų | 113.4 | 83% | 0.826 | 56% | 0.556 | S | S | * | * | trans | -56.2 | 127.4 | 174.9 | -66.6 | -174.7 | 179.6 | -178.8 | 0 | 111.5 | K254 K258 | K254-K256 PolarHBondContact O-N 3.03Å; K256-K258 PolarHBondContact O-N 2.64Å | ||
| 257 | K | 77.1 | Confident | 75.6 | Confident | 199 Ų | 199 | 116.1 Ų | 116.1 | 87% | 0.865 | 57% | 0.566 | S | S | * | * | trans | -68.4 | 112 | 174.8 | -174.8 | 177.8 | -179.2 | 179.8 | 0 | 109.4 | K255 S259 | K255-K257 PolarHBondContact O-N 3.14Å; K257-S259 PolarHBondContact O-N 2.61Å | ||
| 258 | K | 79.7 | Confident | 76.8 | Confident | 102 Ų | 102 | 112 Ų | 112 | 44% | 0.443 | 55% | 0.55 | S | S | . | . | trans | -56.6 | 132 | 175.8 | -66.2 | -177.1 | 168.1 | -153.2 | 0 | 110.8 | K256 Y262 | K256-K258 PolarHBondContact O-N 2.64Å; K258-Y262 HydrophobicContact CB-CD1 4.08Å; K258-Y262 HydrophobicContact CB-CG 4.47Å; K258-Y262 HydrophobicContact CD-CD1 3.8Å; K258-Y262 HydrophobicContact CD-CE1 3.52Å; K258-Y262 HydrophobicContact CG-CD1 4.24Å; K258-Y262 HydrophobicContact CG-CE1 4.32Å; K258-Y262 VanDerWaalsContact NZ-CE1 3.3Å; K258-Y262 PolarHBondContact NZ-OH 2.89Å | ||
| 259 | S | 84.3 | Confident | 77.4 | Confident | 68 Ų | 68 | 111.4 Ų | 111.4 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | trans | -57.5 | 156.7 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | K257 D261 Y262 K263 | K257-S259 PolarHBondContact O-N 2.61Å; S259-D261 PolarHBondContact O-N 2.94Å; S259-D261 PolarHBondContact OG-N 3.16Å; S259-Y262 PolarHBondContact O-N 3.37Å; S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 3.18Å; S259-K263 VanDerWaalsContact O-N 3.12Å | ||
| 260 | K | 87.4 | Confident | 78.5 | Confident | 159 Ų | 159 | 104.7 Ų | 104.7 | 69% | 0.691 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.7 | -42.2 | 174.1 | -169.2 | 176.8 | -176.9 | 178.9 | 0 | 110.6 | K263 K264 | K260-K263 WeakPolarHBondContact O-CB 3.34Å; K260-K263 PolarHBondContact O-N 2.75Å; K260-K264 WeakPolarHBondContact O-CG 3.42Å; K260-K264 PolarHBondContact O-N 3.32Å |
| 261 | D | 84.5 | Confident | 79.5 | Confident | 81 Ų | 81 | 106.5 Ų | 106.5 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.4 | -32.4 | -175.3 | -51.1 | -64.5 | 0 | 0 | 0 | 112.8 | S259 K263 K264 K265 | S259-D261 PolarHBondContact O-N 2.94Å; S259-D261 PolarHBondContact OG-N 3.16Å; D261-K263 VanDerWaalsContact C-N 3.29Å; D261-K263 PolarHBondContact O-N 2.85Å; D261-K264 PolarHBondContact O-N 3.02Å; D261-K264 WeakPolarHBondContact OD1-CE 3.33Å; D261-K264 IonicContact OD1-NZ 3.42Å; D261-K264 PolarHBondContact OD1-NZ 2.87Å; D261-K265 PolarHBondContact O-N 2.91Å |
| 262 | Y | 85.4 | Confident | 80 | Confident | 23 Ų | 23 | 109.1 Ų | 109.1 | 9% | 0.09 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 166.6 | -176.2 | -73.3 | 0 | 0 | 0 | 110.7 | P189 I190 K258 S259 K265 L266 | P189-Y262 HydrophobicContact CB-CD2 4.28Å; P189-Y262 HydrophobicContact CB-CE2 4.35Å; P189-Y262 HydrophobicContact CG-CD1 4.46Å; P189-Y262 HydrophobicContact CG-CD2 4.29Å; P189-Y262 HydrophobicContact CG-CE1 4.12Å; P189-Y262 HydrophobicContact CG-CE2 3.98Å; I190-Y262 HydrophobicContact CD1-CD2 3.82Å; I190-Y262 HydrophobicContact CG1-CD2 3.99Å; K258-Y262 HydrophobicContact CB-CD1 4.08Å; K258-Y262 HydrophobicContact CB-CG 4.47Å; K258-Y262 HydrophobicContact CD-CD1 3.8Å; K258-Y262 HydrophobicContact CD-CE1 3.52Å; K258-Y262 HydrophobicContact CG-CD1 4.24Å; K258-Y262 HydrophobicContact CG-CE1 4.32Å; K258-Y262 VanDerWaalsContact NZ-CE1 3.3Å; K258-Y262 PolarHBondContact NZ-OH 2.89Å; S259-Y262 PolarHBondContact O-N 3.37Å; Y262-K265 PolarHBondContact O-N 2.87Å; Y262-L266 HydrophobicContact CE1-CD2 4.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.37Å; Y262-L266 PolarHBondContact O-N 3.47Å |
| 263 | K | 85.3 | Confident | 80.4 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 178 | -68.5 | -178.9 | -178.8 | -169.6 | 0 | 112.3 | S259 K260 D261 H267 | S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 3.18Å; S259-K263 VanDerWaalsContact O-N 3.12Å; K260-K263 WeakPolarHBondContact O-CB 3.34Å; K260-K263 PolarHBondContact O-N 2.75Å; D261-K263 VanDerWaalsContact C-N 3.29Å; D261-K263 PolarHBondContact O-N 2.85Å; K263-H267 WeakPolarHBondContact O-CB 3.29Å; K263-H267 PolarHBondContact O-N 2.82Å |
| 264 | K | 87.8 | Confident | 81 | Confident | 116 Ų | 116 | 108 Ų | 108 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -52.4 | 174.2 | -70 | 174.9 | -173.1 | 162.1 | 0 | 111.2 | K260 D261 L266 H267 Q268 | K260-K264 WeakPolarHBondContact O-CG 3.42Å; K260-K264 PolarHBondContact O-N 3.32Å; D261-K264 PolarHBondContact O-N 3.02Å; D261-K264 WeakPolarHBondContact OD1-CE 3.33Å; D261-K264 IonicContact OD1-NZ 3.42Å; D261-K264 PolarHBondContact OD1-NZ 2.87Å; K264-L266 PolarHBondContact O-N 2.9Å; K264-H267 PolarHBondContact O-N 3.44Å; K264-Q268 PolarHBondContact O-N 3Å |
| 265 | K | 85.8 | Confident | 80.9 | Confident | 93 Ų | 93 | 112.3 Ų | 112.3 | 40% | 0.404 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 179.9 | -74.3 | -168.6 | 176.2 | -164.7 | 0 | 112.4 | P189 D261 Y262 H267 Q268 Q269 | P189-K265 HydrophobicContact CB-CB 3.69Å; P189-K265 HydrophobicContact CB-CD 4.04Å; P189-K265 WeakPolarHBondContact O-CD 3.3Å; P189-K265 WeakPolarHBondContact O-CE 3.42Å; P189-K265 PolarHBondContact O-NZ 2.95Å; D261-K265 PolarHBondContact O-N 2.91Å; Y262-K265 PolarHBondContact O-N 2.87Å; K265-H267 VanDerWaalsContact C-N 3.32Å; K265-H267 PolarHBondContact O-N 3Å; K265-Q268 WeakPolarHBondContact O-CB 3.36Å; K265-Q268 PolarHBondContact O-N 3.21Å; K265-Q269 PolarHBondContact O-N 3.08Å |
| 266 | L | 85.6 | Confident | 80.9 | Confident | 47 Ų | 47 | 114 Ų | 114 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 174.8 | -176.7 | 67.7 | 0 | 0 | 0 | 111.8 | P189 L215 Y262 K264 Q270 | P189-L266 HydrophobicContact CG-CB 4.22Å; P189-L266 HydrophobicContact CG-CD1 4.48Å; L215-L266 HydrophobicContact CD1-CD1 4.43Å; Y262-L266 HydrophobicContact CE1-CD2 4.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.37Å; Y262-L266 PolarHBondContact O-N 3.47Å; K264-L266 PolarHBondContact O-N 2.9Å; L266-Q270 PolarHBondContact O-N 2.72Å |
| 267 | H | 84.9 | Confident | 80.5 | Confident | 135 Ų | 135 | 110.6 Ų | 110.6 | 63% | 0.625 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.2 | -34.8 | 175 | -174.5 | 62.8 | 0 | 0 | 0 | 112.3 | K263 K264 K265 Q270 K271 | K263-H267 WeakPolarHBondContact O-CB 3.29Å; K263-H267 PolarHBondContact O-N 2.82Å; K264-H267 PolarHBondContact O-N 3.44Å; K265-H267 VanDerWaalsContact C-N 3.32Å; K265-H267 PolarHBondContact O-N 3Å; H267-Q270 PolarHBondContact O-N 2.86Å; H267-K271 WeakPolarHBondContact O-CB 3.49Å; H267-K271 PolarHBondContact O-N 2.94Å |
| 268 | Q | 84.9 | Confident | 79.5 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 173.7 | -173.8 | 178.1 | 10.4 | 0 | 0 | 111.8 | K264 K265 Q270 K271 Q272 | K264-Q268 PolarHBondContact O-N 3Å; K265-Q268 WeakPolarHBondContact O-CB 3.36Å; K265-Q268 PolarHBondContact O-N 3.21Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 PolarHBondContact O-N 3.32Å; Q268-K271 PolarHBondContact O-N 3.19Å; Q268-K271 VanDerWaalsContact O-N 3.16Å; Q268-Q272 WeakPolarHBondContact O-CG 3.47Å; Q268-Q272 PolarHBondContact O-N 3.47Å |
| 269 | Q | 83.5 | Confident | 78.5 | Confident | 44 Ų | 44 | 112 Ų | 112 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -58.1 | -39.1 | 172.6 | -72.6 | -179.4 | 2.6 | 0 | 0 | 111.7 | K265 | K265-Q269 PolarHBondContact O-N 3.08Å |
| 270 | Q | 85.3 | Confident | 76.7 | Confident | 45 Ų | 45 | 118.2 Ų | 118.2 | 21% | 0.21 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 175 | -177 | 55.3 | 96.3 | 0 | 0 | 112.1 | L266 H267 Q268 Q272 L273 | L266-Q270 PolarHBondContact O-N 2.72Å; H267-Q270 PolarHBondContact O-N 2.86Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 PolarHBondContact O-N 3.32Å; Q270-Q272 VanDerWaalsContact C-N 3.32Å; Q270-Q272 PolarHBondContact O-N 2.89Å; Q270-L273 PolarHBondContact O-N 2.85Å |
| 271 | K | 83.4 | Confident | 75 | Confident | 113 Ų | 113 | 113 Ų | 113 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 178.7 | -170.9 | -167.4 | 171.6 | -133.2 | 0 | 112.2 | H267 Q268 L273 D274 E278 | H267-K271 WeakPolarHBondContact O-CB 3.49Å; H267-K271 PolarHBondContact O-N 2.94Å; Q268-K271 PolarHBondContact O-N 3.19Å; Q268-K271 VanDerWaalsContact O-N 3.16Å; K271-L273 PolarHBondContact O-N 2.92Å; K271-L273 VanDerWaalsContact O-N 3.12Å; K271-D274 PolarHBondContact O-N 3.01Å; K271-D274 VanDerWaalsContact O-N 3.15Å; K271-E278 IonicContact NZ-OE1 3.15Å; K271-E278 PolarHBondContact NZ-OE1 3.12Å |
| 272 | Q | 78.2 | Confident | 73.5 | Confident | 138 Ų | 138 | 118.6 Ų | 118.6 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -18.6 | 176.1 | -77.1 | 169.3 | -20.7 | 0 | 0 | 113.8 | Q268 Q270 | Q268-Q272 WeakPolarHBondContact O-CG 3.47Å; Q268-Q272 PolarHBondContact O-N 3.47Å; Q270-Q272 VanDerWaalsContact C-N 3.32Å; Q270-Q272 PolarHBondContact O-N 2.89Å |
| 273 | L | 75.3 | Confident | 72.3 | Confident | 68 Ų | 68 | 122.9 Ų | 122.9 | 36% | 0.356 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | -7.2 | 179.8 | -61.4 | 179.5 | 0 | 0 | 0 | 114.1 | I184 L215 Q270 K271 W275 | I184-L273 HydrophobicContact CD1-CD1 3.77Å; I184-L273 HydrophobicContact CD1-CD2 3.32Å; I184-L273 HydrophobicContact CD1-CG 4.19Å; L215-L273 HydrophobicContact CD2-CD1 3.46Å; L215-L273 VanDerWaalsContact CD2-CD1 3.46Å; L215-L273 HydrophobicContact CG-CD1 4.2Å; Q270-L273 PolarHBondContact O-N 2.85Å; K271-L273 PolarHBondContact O-N 2.92Å; K271-L273 VanDerWaalsContact O-N 3.12Å; L273-W275 PolarHBondContact O-N 3.27Å |
| 274 | D | 77.4 | Confident | 71.4 | Confident | 76 Ų | 76 | 121.5 Ų | 121.5 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | trans | -75.2 | 108.4 | 173 | -66.5 | -26.3 | 0 | 0 | 0 | 107.8 | K271 R276 | K271-D274 PolarHBondContact O-N 3.01Å; K271-D274 VanDerWaalsContact O-N 3.15Å; D274-R276 PolarHBondContact O-N 2.93Å | ||
| 275 | W | 66.1 | Low | 70.8 | Confident | 252 Ų | 252 | 122.5 Ų | 122.5 | 96% | 0.955 | 57% | 0.573 | S | S | * | * | trans | -64.3 | 23.3 | 173.9 | -178.8 | -101.2 | 0 | 0 | 0 | 113.6 | L273 P277 | L273-W275 PolarHBondContact O-N 3.27Å; W275-P277 WeakPolarHBondContact O-CD 3.15Å | ||
| 276 | R | 67 | Low | 70.3 | Confident | 206 Ų | 206 | 128.1 Ų | 128.1 | 78% | 0.777 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -67.5 | 126.8 | 164.4 | -72 | -178.8 | 171 | 158.2 | -1 | 106.4 | D274 E278 | D274-R276 PolarHBondContact O-N 2.93Å; R276-E278 PolarHBondContact O-N 3.42Å |
| 277 | P | 61.2 | Low | 70 | Confident | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 59% | 0.594 | S | S | * | * | trans | -54 | 114.6 | 165.4 | 23.6 | -31.6 | 0 | 0 | 0 | 106.2 | W275 K279 | W275-P277 WeakPolarHBondContact O-CD 3.15Å; P277-K279 PolarHBondContact O-N 3.4Å; P277-K279 VanDerWaalsContact O-N 3.14Å | ||
| 278 | E | 56.3 | Low | 69.9 | Low | 147 Ų | 147 | 124.9 Ų | 124.9 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | trans | -51.8 | 126.4 | 168.5 | -178.8 | 146.3 | -117 | 0 | 0 | 105.1 | K271 R276 Q280 | K271-E278 IonicContact NZ-OE1 3.15Å; K271-E278 PolarHBondContact NZ-OE1 3.12Å; R276-E278 PolarHBondContact O-N 3.42Å; E278-Q280 WeakPolarHBondContact O-CA 3.2Å; E278-Q280 WeakPolarHBondContact O-CB 3.45Å; E278-Q280 PolarHBondContact O-N 3.29Å | ||
| 279 | K | 58.3 | Low | 70.1 | Confident | 184 Ų | 184 | 120.6 Ų | 120.6 | 80% | 0.8 | 56% | 0.555 | S | S | * | * | trans | -63 | 91.1 | -169.7 | -77.9 | -168.9 | 173.5 | -168.6 | 0 | 108.4 | P277 G281 | P277-K279 PolarHBondContact O-N 3.4Å; P277-K279 VanDerWaalsContact O-N 3.14Å; K279-G281 PolarHBondContact O-N 3.48Å | ||
| 280 | Q | 46.8 | Very low | 70.5 | Confident | 198 Ų | 198 | 119.2 Ų | 119.2 | 93% | 0.925 | 55% | 0.55 | S | S | * | . | trans | -82.6 | 36.6 | -166.8 | -152.6 | 179.6 | 7.2 | 0 | 0 | 111.2 | E278 | E278-Q280 WeakPolarHBondContact O-CA 3.2Å; E278-Q280 WeakPolarHBondContact O-CB 3.45Å; E278-Q280 PolarHBondContact O-N 3.29Å | ||
| 281 | G | 52.5 | Low | 70.8 | Confident | 51 Ų | 51 | 117.1 Ų | 117.1 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -79.4 | 137.9 | 149 | 0 | 0 | 0 | 0 | 0 | 106.7 | K279 L283 | K279-G281 PolarHBondContact O-N 3.48Å; G281-L283 PolarHBondContact O-N 3.36Å |
| 282 | E | 52.9 | Low | 71.2 | Confident | 197 Ų | 197 | 111.9 Ų | 111.9 | 92% | 0.921 | 52% | 0.517 | S | S | * | . | trans | -61.2 | 88.7 | 157.7 | -166.2 | 149.4 | -131.5 | 0 | 0 | 106.2 | R284 | E282-R284 PolarHBondContact O-N 3.33Š| ||
| 283 | L | 60.8 | Low | 71.9 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 60% | 0.597 | 49% | 0.486 | S | S | * | . | trans | -74.5 | 88 | -167.3 | -163.3 | 83.2 | 0 | 0 | 0 | 107 | G281 K285 | G281-L283 PolarHBondContact O-N 3.36Å; L283-K285 PolarHBondContact O-N 3.42Å | ||
| 284 | R | 66.2 | Low | 72.6 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | trans | -17.4 | 116.1 | 161.6 | -72.5 | -97 | -152.2 | 108 | 5 | 108.1 | E282 E288 P347 D351 | E282-R284 PolarHBondContact O-N 3.33Å; R284-E288 WeakPolarHBondContact CA-OE2 3.43Å; R284-E288 HydrophobicContact CB-CB 4.25Å; R284-E288 WeakPolarHBondContact CB-OE2 3.29Å; R284-E288 WeakPolarHBondContact CD-OE2 3.25Å; R284-P347 HydrophobicContact CB-CB 3.78Å; R284-P347 HydrophobicContact CB-CG 3.83Å; R284-P347 HydrophobicContact CG-CB 3.94Å; R284-P347 HydrophobicContact CG-CG 3.77Å; R284-D351 IonicContact CZ-OD2 3.28Å; R284-D351 VanDerWaalsContact NH1-CG 3.31Å; R284-D351 IonicContact NH1-OD1 2.76Å; R284-D351 PolarHBondContact NH1-OD1 2.83Å; R284-D351 VanDerWaalsContact NH1-OD1 3.11Å; R284-D351 IonicContact NH1-OD2 3.88Å; R284-D351 PolarHBondContact NH1-OD2 3.3Å; R284-D351 IonicContact NH2-OD2 3.21Å; R284-D351 PolarHBondContact NH2-OD2 3.23Å | ||
| 285 | K | 75.6 | Confident | 73.1 | Confident | 138 Ų | 138 | 103.9 Ų | 103.9 | 60% | 0.6 | 48% | 0.475 | S | S | * | . | trans | -48.8 | 148.6 | -164.3 | -64.3 | 167.6 | -173.2 | 167.8 | 0 | 108.5 | L283 H287 E288 | L283-K285 PolarHBondContact O-N 3.42Å; K285-H287 PolarHBondContact O-N 3.08Å; K285-E288 HydrophobicContact CB-CG 4.28Å; K285-E288 WeakPolarHBondContact CB-OE1 3.02Å; K285-E288 WeakPolarHBondContact CD-OE1 3.48Å; K285-E288 WeakPolarHBondContact CG-OE1 3.35Å; K285-E288 PolarHBondContact N-OE1 2.96Å; K285-E288 PolarHBondContact N-OE2 3.31Å; K285-E288 WeakPolarHBondContact O-CB 3.49Å; K285-E288 PolarHBondContact O-N 3.33Å | ||
| 286 | R | 74.7 | Confident | 74 | Confident | 210 Ų | 210 | 92.3 Ų | 92.3 | 79% | 0.792 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -51 | -26.1 | -175 | -67 | -175.3 | 177.8 | -164.5 | -0.3 | 113.7 | ||
| 287 | H | 78.4 | Confident | 74.8 | Confident | 66 Ų | 66 | 82.7 Ų | 82.7 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -72.9 | -34.4 | 178 | -30 | 126.7 | 0 | 0 | 0 | 113 | K285 K289 V290 W372 | K285-H287 PolarHBondContact O-N 3.08Å; H287-K289 PolarHBondContact O-N 3.37Å; H287-K289 VanDerWaalsContact O-N 3.14Å; H287-V290 WeakPolarHBondContact O-CA 3.41Å; H287-V290 VanDerWaalsContact O-CB 3.32Å; H287-V290 WeakPolarHBondContact O-CB 3.46Å; H287-V290 PolarHBondContact O-N 2.76Å; H287-W372 CarbonylContact C-O 3.57Å; H287-W372 HydrophobicContact CB-CD2 4.2Å; H287-W372 HydrophobicContact CB-CE3 3.55Å; H287-W372 HydrophobicContact CB-CZ3 3.96Å; H287-W372 VanDerWaalsContact CB-O 3.3Å; H287-W372 WeakPolarHBondContact CB-O 3.29Å; H287-W372 AromaticContact CD2-CZ3 3.61Å |
| 288 | E | 84.1 | Confident | 75.6 | Confident | 48 Ų | 48 | 80.4 Ų | 80.4 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -68.6 | -9.2 | 175.2 | -61.4 | 160.9 | -138.8 | 0 | 0 | 112.9 | R284 K285 V290 L371 | R284-E288 WeakPolarHBondContact CA-OE2 3.43Å; R284-E288 HydrophobicContact CB-CB 4.25Å; R284-E288 WeakPolarHBondContact CB-OE2 3.29Å; R284-E288 WeakPolarHBondContact CD-OE2 3.25Å; K285-E288 HydrophobicContact CB-CG 4.28Å; K285-E288 WeakPolarHBondContact CB-OE1 3.02Å; K285-E288 WeakPolarHBondContact CD-OE1 3.48Å; K285-E288 WeakPolarHBondContact CG-OE1 3.35Å; K285-E288 PolarHBondContact N-OE1 2.96Å; K285-E288 PolarHBondContact N-OE2 3.31Å; K285-E288 WeakPolarHBondContact O-CB 3.49Å; K285-E288 PolarHBondContact O-N 3.33Å; E288-V290 VanDerWaalsContact C-N 3.28Å; E288-L371 WeakPolarHBondContact O-CD2 3.47Å |
| 289 | K | 88.8 | Confident | 76.8 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -86.1 | -0.1 | 168.1 | -59.5 | -168.2 | 168.8 | -144.7 | 0 | 112.7 | H287 F344 K345 E346 P347 | H287-K289 PolarHBondContact O-N 3.37Å; H287-K289 VanDerWaalsContact O-N 3.14Å; K289-F344 PolarHBondContact O-N 3.48Å; K289-K345 WeakPolarHBondContact CD-O 3.36Å; K289-K345 PolarHBondContact NZ-O 3.26Å; K289-E346 IonicContact NZ-OE1 2.67Å; K289-E346 IonicContact NZ-OE2 3.38Å; K289-E346 PolarHBondContact NZ-OE2 2.88Å; K289-P347 HydrophobicContact CG-CB 4.09Å |
| 290 | V | 90.8 | Very high | 77.7 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.1 | -177.4 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | H287 E288 I292 S341 V342 A343 W372 | H287-V290 WeakPolarHBondContact O-CA 3.41Å; H287-V290 VanDerWaalsContact O-CB 3.32Å; H287-V290 WeakPolarHBondContact O-CB 3.46Å; H287-V290 PolarHBondContact O-N 2.76Å; E288-V290 VanDerWaalsContact C-N 3.28Å; V290-I292 HydrophobicContact CG1-CD1 4.26Å; V290-S341 WeakPolarHBondContact CG1-OG 3.46Å; V290-V342 CarbonylContact C-O 3.56Å; V290-V342 WeakPolarHBondContact CA-O 3.48Å; V290-A343 HydrophobicContact CG2-CB 4.01Å; V290-W372 HydrophobicContact CB-CB 3.89Å; V290-W372 HydrophobicContact CB-CE3 4.08Å; V290-W372 HydrophobicContact CG1-CB 4.07Å; V290-W372 HydrophobicContact CG1-CE3 4.39Å; V290-W372 HydrophobicContact CG2-CE3 4.06Å; V290-W372 WeakPolarHBondContact O-CB 3.36Å; V290-W372 PolarHBondContact O-N 3.16Å |
| 291 | V | 92.3 | Very high | 79 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.5 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | I293 S341 V342 F344 A350 C353 I354 A369 | V291-I293 HydrophobicContact CG1-CG1 4.11Å; V291-S341 WeakPolarHBondContact O-CA 3.48Å; V291-V342 PolarHBondContact N-O 2.76Å; V291-V342 PolarHBondContact O-N 3.18Å; V291-F344 HydrophobicContact CB-CE2 4.29Å; V291-F344 HydrophobicContact CG2-CD2 4.03Å; V291-F344 HydrophobicContact CG2-CE2 3.71Å; V291-A350 HydrophobicContact CG2-CB 3.53Å; V291-C353 HydrophobicContact CG2-CB 4.38Å; V291-I354 HydrophobicContact CB-CG1 4.43Å; V291-I354 HydrophobicContact CG1-CD1 4.24Å; V291-I354 HydrophobicContact CG1-CG1 3.62Å; V291-I354 HydrophobicContact CG2-CD1 4.07Å; V291-I354 HydrophobicContact CG2-CG1 3.96Å; V291-A369 HydrophobicContact CG1-CB 4.24Å |
| 292 | I | 92.1 | Very high | 80 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.5 | 169.7 | -54.8 | -58.8 | 0 | 0 | 0 | 107.6 | V290 R294 V339 A340 A369 Q370 W372 Y378 | V290-I292 HydrophobicContact CG1-CD1 4.26Å; I292-R294 HydrophobicContact CG2-CG 4.34Å; I292-V339 HydrophobicContact CG2-CG1 3.56Å; I292-A340 WeakPolarHBondContact CA-O 3.47Å; I292-A369 WeakPolarHBondContact O-CA 3.31Å; I292-Q370 PolarHBondContact N-O 3.26Å; I292-Q370 PolarHBondContact O-N 3.13Å; I292-W372 HydrophobicContact CD1-CB 4.14Å; I292-W372 HydrophobicContact CD1-CG 4.16Å; I292-W372 HydrophobicContact CG1-CB 3.87Å; I292-W372 HydrophobicContact CG1-CG 4.2Å; I292-Y378 HydrophobicContact CB-CE2 4.48Å; I292-Y378 HydrophobicContact CD1-CD2 3.98Å; I292-Y378 HydrophobicContact CD1-CE2 4Å; I292-Y378 HydrophobicContact CG1-CD2 4.32Å; I292-Y378 HydrophobicContact CG1-CE2 3.84Å; I292-Y378 HydrophobicContact CG2-CD2 4.23Å; I292-Y378 HydrophobicContact CG2-CE2 3.92Å |
| 293 | I | 91.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.2 | 175.1 | -56 | 167.2 | 0 | 0 | 0 | 106.9 | V291 M296 L316 V339 A340 V342 F357 L367 S368 A369 | V291-I293 HydrophobicContact CG1-CG1 4.11Å; I293-M296 HydrophobicContact CG2-CB 4.43Å; I293-L316 HydrophobicContact CD1-CD2 3.64Å; I293-V339 CarbonylContact O-C 3.57Å; I293-V339 WeakPolarHBondContact O-CA 3.49Å; I293-A340 HydrophobicContact CB-CB 4.41Å; I293-A340 PolarHBondContact N-O 2.9Å; I293-A340 PolarHBondContact O-N 3.36Å; I293-V342 HydrophobicContact CD1-CG2 4.28Å; I293-F357 HydrophobicContact CD1-CD1 3.72Å; I293-F357 HydrophobicContact CD1-CE1 3.88Å; I293-F357 HydrophobicContact CD1-CG 4.42Å; I293-F357 HydrophobicContact CG1-CD1 4.39Å; I293-F357 HydrophobicContact CG2-CD1 4.48Å; I293-L367 HydrophobicContact CG2-CB 4.4Å; I293-L367 HydrophobicContact CG2-CD1 4.42Å; I293-L367 HydrophobicContact CG2-CD2 4.29Å; I293-S368 CarbonylContact C-O 3.5Å; I293-S368 WeakPolarHBondContact CA-O 3.43Å; I293-A369 HydrophobicContact CG1-CB 4.47Å |
| 294 | R | 90.6 | Very high | 81.6 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 161 | 175.2 | -50.9 | -167 | -174.3 | 108.7 | 11.9 | 110.9 | I292 M296 V339 S368 Q370 Y378 | I292-R294 HydrophobicContact CG2-CG 4.34Å; R294-M296 VanDerWaalsContact C-N 3.29Å; R294-M296 PolarHBondContact O-N 3.14Å; R294-V339 HydrophobicContact CG-CG2 4.24Å; R294-S368 PolarHBondContact N-O 3.12Å; R294-S368 PolarHBondContact O-N 3Å; R294-S368 VanDerWaalsContact O-N 3.07Å; R294-Q370 VanDerWaalsContact NH1-CD 3.33Å; R294-Y378 PolarHBondContact NH2-OH 3.48Å; R294-Y378 VanDerWaalsContact NH2-OH 3.13Å |
| 295 | N | 88.7 | Confident | 82 | Confident | 63 Ų | 63 | 60 Ų | 60 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 63.3 | 27.9 | 179.1 | -59.4 | 91.8 | 0 | 0 | 0 | 114.1 | D337 G338 Q366 | N295-D337 WeakPolarHBondContact CA-O 3.36Å; N295-D337 PolarHBondContact N-O 3.43Å; N295-G338 PolarHBondContact N-O 2.87Å; N295-Q366 WeakPolarHBondContact CB-O 3.32Å |
| 296 | M | 84.6 | Confident | 82 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 4% | 0.044 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -80 | -29.4 | -177.6 | -163.1 | -178.1 | 79.6 | 0 | 0 | 113.6 | I293 R294 Y312 L316 L331 G338 A340 F362 L367 | I293-M296 HydrophobicContact CG2-CB 4.43Å; R294-M296 VanDerWaalsContact C-N 3.29Å; R294-M296 PolarHBondContact O-N 3.14Å; M296-Y312 HydrophobicContact CE-CG 4.39Å; M296-L316 HydrophobicContact CE-CD1 3.59Å; M296-L316 HydrophobicContact CE-CG 3.94Å; M296-L316 HydrophobicContact SD-CD1 3.68Å; M296-L316 HydrophobicContact SD-CD2 3.6Å; M296-L316 VanDerWaalsContact SD-CD2 3.6Å; M296-L316 HydrophobicContact SD-CG 3.61Å; M296-L331 HydrophobicContact CE-CD1 3.68Å; M296-G338 PolarHBondContact N-O 2.91Å; M296-A340 HydrophobicContact CE-CB 4.32Å; M296-A340 HydrophobicContact SD-CB 4.49Å; M296-F362 HydrophobicContact CG-CD1 3.93Å; M296-F362 HydrophobicContact CG-CE1 3.94Å; M296-F362 WeakPolarHBondContact O-CD1 3.36Å; M296-L367 VanDerWaalsContact CA-CD2 3.46Å; M296-L367 HydrophobicContact CB-CD2 3.8Å; M296-L367 HydrophobicContact CG-CD2 3.9Å |
| 297 | F | 83.1 | Confident | 82.2 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | trans | -149.9 | 177.3 | -177 | 56.8 | -99.3 | 0 | 0 | 0 | 111.5 | F302 Y312 L331 F332 G338 R365 | F297-F302 HydrophobicContact CB-CE2 3.56Å; F297-F302 HydrophobicContact CB-CZ 3.66Å; F297-F302 HydrophobicContact CD1-CE2 4.32Å; F297-F302 HydrophobicContact CD1-CZ 4Å; F297-F302 AromaticContact CD2-CD2 3.99Å; F297-F302 HydrophobicContact CD2-CD2 3.99Å; F297-F302 AromaticContact CD2-CE2 3.07Å; F297-F302 HydrophobicContact CD2-CE2 3.07Å; F297-F302 AromaticContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CE2-CD2 4.38Å; F297-F302 AromaticContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CZ 4.12Å; F297-F302 AromaticContact CG-CE2 3.4Å; F297-F302 HydrophobicContact CG-CE2 3.4Å; F297-F302 AromaticContact CG-CZ 3.48Å; F297-F302 HydrophobicContact CG-CZ 3.48Å; F297-F302 VanDerWaalsContact CG-CZ 3.48Å; F297-Y312 HydrophobicContact CB-CE2 4.17Å; F297-L331 HydrophobicContact CD1-CD2 4Å; F297-L331 HydrophobicContact CD1-CG 4.37Å; F297-L331 HydrophobicContact CE1-CD1 3.94Å; F297-L331 HydrophobicContact CE1-CD2 3.53Å; F297-L331 HydrophobicContact CE1-CG 3.49Å; F297-L331 VanDerWaalsContact CE1-CG 3.49Å; F297-L331 HydrophobicContact CZ-CD2 3.91Å; F297-L331 HydrophobicContact CZ-CG 3.84Å; F297-F332 WeakPolarHBondContact CE2-O 3.35Å; F297-F332 WeakPolarHBondContact CZ-O 3.24Å; F297-G338 VanDerWaalsContact CD2-CA 3.47Å; F297-G338 VanDerWaalsContact CE1-C 3.5Å; F297-G338 WeakPolarHBondContact O-CA 3.49Å; F297-R365 PolarHBondContact O-NH1 3.17Å | ||
| 298 | H | 79.6 | Confident | 82.4 | Confident | 70 Ų | 70 | 52 Ų | 52 | 32% | 0.324 | 27% | 0.268 | S | S | . | . | trans | -116.4 | 143.7 | 167.4 | -161 | -109.3 | 0 | 0 | 0 | 110.2 | S300 D301 F302 | H298-S300 PolarHBondContact CE1-OG 3.13Å; H298-S300 VanDerWaalsContact CE1-OG 3.28Å; H298-S300 WeakPolarHBondContact ND1-CB 3.36Å; H298-S300 PolarHBondContact ND1-OG 2.86Å; H298-S300 PolarHBondContact O-N 2.82Å; H298-D301 WeakPolarHBondContact CB-OD2 3.14Å; H298-D301 PolarHBondContact N-OD2 2.84Å; H298-D301 WeakPolarHBondContact O-CB 2.99Å; H298-D301 PolarHBondContact O-N 3.4Å; H298-F302 VanDerWaalsContact O-CD2 3.32Å; H298-F302 WeakPolarHBondContact O-CD2 3.12Å; H298-F302 VanDerWaalsContact O-CE2 3.31Å; H298-F302 WeakPolarHBondContact O-CE2 3.3Å | ||
| 299 | P | 80.1 | Confident | 82.3 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -36.9 | 177.7 | -29.4 | 36.6 | 0 | 0 | 0 | 114 | D301 F302 E303 H335 | P299-D301 PolarHBondContact O-N 3.42Å; P299-F302 PolarHBondContact O-N 2.75Å; P299-E303 PolarHBondContact O-N 2.78Å; P299-H335 WeakPolarHBondContact CG-O 3.38Å |
| 300 | S | 78.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.4 | -31 | 177.1 | -48.4 | 0 | 0 | 0 | 0 | 113.7 | H298 F302 E303 E304 | H298-S300 PolarHBondContact CE1-OG 3.13Å; H298-S300 VanDerWaalsContact CE1-OG 3.28Å; H298-S300 WeakPolarHBondContact ND1-CB 3.36Å; H298-S300 PolarHBondContact ND1-OG 2.86Å; H298-S300 PolarHBondContact O-N 2.82Å; S300-F302 PolarHBondContact O-N 2.74Å; S300-E303 PolarHBondContact O-N 3.18Å; S300-E304 PolarHBondContact O-N 2.73Å; S300-E304 VanDerWaalsContact O-N 3.1Å |
| 301 | D | 74.7 | Confident | 82.1 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -22.8 | 179.9 | -47.9 | -29.4 | 0 | 0 | 0 | 111.5 | H298 P299 D305 | H298-D301 WeakPolarHBondContact CB-OD2 3.14Å; H298-D301 PolarHBondContact N-OD2 2.84Å; H298-D301 WeakPolarHBondContact O-CB 2.99Å; H298-D301 PolarHBondContact O-N 3.4Å; P299-D301 PolarHBondContact O-N 3.42Å; D301-D305 PolarHBondContact O-N 2.8Å |
| 302 | F | 72.9 | Confident | 81.9 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -99.7 | -20.8 | 178 | -52.2 | -89.9 | 0 | 0 | 0 | 113.2 | F297 H298 P299 S300 E304 L309 Y312 L331 | F297-F302 HydrophobicContact CB-CE2 3.56Å; F297-F302 HydrophobicContact CB-CZ 3.66Å; F297-F302 HydrophobicContact CD1-CE2 4.32Å; F297-F302 HydrophobicContact CD1-CZ 4Å; F297-F302 AromaticContact CD2-CD2 3.99Å; F297-F302 HydrophobicContact CD2-CD2 3.99Å; F297-F302 AromaticContact CD2-CE2 3.07Å; F297-F302 HydrophobicContact CD2-CE2 3.07Å; F297-F302 AromaticContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CE2-CD2 4.38Å; F297-F302 AromaticContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CZ 4.12Å; F297-F302 AromaticContact CG-CE2 3.4Å; F297-F302 HydrophobicContact CG-CE2 3.4Å; F297-F302 AromaticContact CG-CZ 3.48Å; F297-F302 HydrophobicContact CG-CZ 3.48Å; F297-F302 VanDerWaalsContact CG-CZ 3.48Å; H298-F302 VanDerWaalsContact O-CD2 3.32Å; H298-F302 WeakPolarHBondContact O-CD2 3.12Å; H298-F302 VanDerWaalsContact O-CE2 3.31Å; H298-F302 WeakPolarHBondContact O-CE2 3.3Å; P299-F302 PolarHBondContact O-N 2.75Å; S300-F302 PolarHBondContact O-N 2.74Å; F302-E304 VanDerWaalsContact C-N 3.3Å; F302-L309 HydrophobicContact CD1-CB 3.92Å; F302-L309 HydrophobicContact CD1-CD1 3.65Å; F302-L309 HydrophobicContact CD1-CG 4.38Å; F302-L309 HydrophobicContact CE1-CB 4.14Å; F302-L309 HydrophobicContact CE1-CD1 3.62Å; F302-Y312 AromaticContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CE2 4.25Å; F302-Y312 AromaticContact CZ-CD2 3.56Å; F302-Y312 HydrophobicContact CZ-CD2 3.56Å; F302-Y312 AromaticContact CZ-CE2 3.76Å; F302-Y312 HydrophobicContact CZ-CE2 3.76Å; F302-L331 HydrophobicContact CE1-CD2 3.97Å; F302-L331 HydrophobicContact CZ-CD2 4.06Å |
| 303 | E | 72.1 | Confident | 81.7 | Confident | 158 Ų | 158 | 68.3 Ų | 68.3 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.7 | -32.9 | 169.2 | -67.3 | 177.6 | 168.9 | 0 | 0 | 110.8 | P299 S300 | P299-E303 PolarHBondContact O-N 2.78Å; S300-E303 PolarHBondContact O-N 3.18Å |
| 304 | E | 75.4 | Confident | 81.6 | Confident | 156 Ų | 156 | 72.5 Ų | 72.5 | 73% | 0.729 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -76.6 | -55.4 | 175.2 | -69 | -179.3 | -169.7 | 0 | 0 | 112.2 | S300 F302 | S300-E304 PolarHBondContact O-N 2.73Å; S300-E304 VanDerWaalsContact O-N 3.1Å; F302-E304 VanDerWaalsContact C-N 3.3Å |
| 305 | D | 73.9 | Confident | 81.5 | Confident | 95 Ų | 95 | 74 Ų | 74 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | trans | -135.6 | 109 | -178.1 | -90.5 | -50 | 0 | 0 | 0 | 113.8 | D301 L307 V308 | D301-D305 PolarHBondContact O-N 2.8Å; D305-L307 PolarHBondContact O-N 3.31Å; D305-L307 VanDerWaalsContact O-N 3.15Å; D305-V308 HydrophobicContact CB-CG2 3.86Å; D305-V308 WeakPolarHBondContact O-CB 3.14Å; D305-V308 PolarHBondContact O-N 3Å | ||
| 306 | P | 76.1 | Confident | 81.6 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.9 | -179.9 | 29.4 | -35.8 | 0 | 0 | 0 | 114.1 | L309 | P306-L309 VanDerWaalsContact O-CB 3.32Å; P306-L309 WeakPolarHBondContact O-CB 3.45Å |
| 307 | L | 78.1 | Confident | 81.9 | Confident | 121 Ų | 121 | 77.4 Ų | 77.4 | 63% | 0.634 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -32.7 | 175.8 | -70.6 | 174.1 | 0 | 0 | 0 | 112.3 | D305 L309 N310 E311 | D305-L307 PolarHBondContact O-N 3.31Å; D305-L307 VanDerWaalsContact O-N 3.15Å; L307-L309 PolarHBondContact O-N 3.32Å; L307-L309 VanDerWaalsContact O-N 3.12Å; L307-N310 PolarHBondContact O-N 3.48Å; L307-E311 PolarHBondContact O-N 3.05Å |
| 308 | V | 82.5 | Confident | 82.3 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.9 | -25.4 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | D305 N310 E311 Y312 | D305-V308 HydrophobicContact CB-CG2 3.86Å; D305-V308 WeakPolarHBondContact O-CB 3.14Å; D305-V308 PolarHBondContact O-N 3Å; V308-N310 VanDerWaalsContact C-N 3.33Å; V308-N310 PolarHBondContact O-N 3.49Å; V308-E311 PolarHBondContact O-N 2.98Å; V308-Y312 HydrophobicContact CG1-CD2 3.63Å; V308-Y312 HydrophobicContact CG1-CE2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.34Å; V308-Y312 PolarHBondContact O-N 3.11Å |
| 309 | L | 83.4 | Confident | 82.8 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 29% | 0.293 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 171.9 | -169 | 68.7 | 0 | 0 | 0 | 113.7 | F302 P306 L307 R313 L331 D333 | F302-L309 HydrophobicContact CD1-CB 3.92Å; F302-L309 HydrophobicContact CD1-CD1 3.65Å; F302-L309 HydrophobicContact CD1-CG 4.38Å; F302-L309 HydrophobicContact CE1-CB 4.14Å; F302-L309 HydrophobicContact CE1-CD1 3.62Å; P306-L309 VanDerWaalsContact O-CB 3.32Å; P306-L309 WeakPolarHBondContact O-CB 3.45Å; L307-L309 PolarHBondContact O-N 3.32Å; L307-L309 VanDerWaalsContact O-N 3.12Å; L309-R313 VanDerWaalsContact O-CB 3.3Å; L309-R313 WeakPolarHBondContact O-CB 3.16Å; L309-R313 PolarHBondContact O-N 3.27Å; L309-L331 HydrophobicContact CD1-CB 4.15Å; L309-L331 HydrophobicContact CD1-CD2 3.52Å; L309-L331 HydrophobicContact CD1-CG 4.43Å; L309-D333 HydrophobicContact CD1-CB 4.46Å |
| 310 | N | 86.2 | Confident | 83.2 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -76.8 | -38.3 | 179.7 | -69.1 | -33.6 | 0 | 0 | 0 | 110.8 | L307 V308 R313 D314 | L307-N310 PolarHBondContact O-N 3.48Å; V308-N310 VanDerWaalsContact C-N 3.33Å; V308-N310 PolarHBondContact O-N 3.49Å; N310-R313 WeakPolarHBondContact O-CB 3.44Å; N310-R313 PolarHBondContact O-N 3.07Å; N310-D314 PolarHBondContact O-N 3.48Å |
| 311 | E | 87.9 | Confident | 83.9 | Confident | 125 Ų | 125 | 82.4 Ų | 82.4 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.2 | -53.8 | 175 | -60.2 | -173 | 167 | 0 | 0 | 111 | L307 V308 R313 D314 D315 | L307-E311 PolarHBondContact O-N 3.05Å; V308-E311 PolarHBondContact O-N 2.98Å; E311-R313 PolarHBondContact O-N 3.12Å; E311-D314 PolarHBondContact O-N 2.75Å; E311-D315 WeakPolarHBondContact O-CB 3.17Å; E311-D315 PolarHBondContact O-N 2.8Å |
| 312 | Y | 87.4 | Confident | 84.6 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.8 | -29.9 | 176.9 | -71.9 | -43.7 | 0 | 0 | 0 | 114 | M296 F297 F302 V308 L316 F362 | M296-Y312 HydrophobicContact CE-CG 4.39Å; F297-Y312 HydrophobicContact CB-CE2 4.17Å; F302-Y312 AromaticContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CE2 4.25Å; F302-Y312 AromaticContact CZ-CD2 3.56Å; F302-Y312 HydrophobicContact CZ-CD2 3.56Å; F302-Y312 AromaticContact CZ-CE2 3.76Å; F302-Y312 HydrophobicContact CZ-CE2 3.76Å; V308-Y312 HydrophobicContact CG1-CD2 3.63Å; V308-Y312 HydrophobicContact CG1-CE2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.34Å; V308-Y312 PolarHBondContact O-N 3.11Å; Y312-L316 VanDerWaalsContact O-CB 3.29Å; Y312-L316 WeakPolarHBondContact O-CB 3.4Å; Y312-L316 WeakPolarHBondContact O-CG 3.41Å; Y312-L316 PolarHBondContact O-N 3.15Å; Y312-F362 AromaticContact CD1-CE1 3.86Å; Y312-F362 HydrophobicContact CD1-CE1 3.86Å; Y312-F362 AromaticContact CD1-CZ 3.74Å; Y312-F362 HydrophobicContact CD1-CZ 3.74Å; Y312-F362 AromaticContact CE1-CE1 3.45Å; Y312-F362 HydrophobicContact CE1-CE1 3.45Å; Y312-F362 VanDerWaalsContact CE1-CE1 3.45Å; Y312-F362 AromaticContact CE1-CZ 3.58Å; Y312-F362 HydrophobicContact CE1-CZ 3.58Å |
| 313 | R | 89.1 | Confident | 85.3 | Confident | 128 Ų | 128 | 88.3 Ų | 88.3 | 48% | 0.483 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.1 | -42.9 | 177.8 | -174.4 | -177.9 | -171.8 | -172.1 | 1.3 | 111.9 | L309 N310 E311 R317 V329 | L309-R313 VanDerWaalsContact O-CB 3.3Å; L309-R313 WeakPolarHBondContact O-CB 3.16Å; L309-R313 PolarHBondContact O-N 3.27Å; N310-R313 WeakPolarHBondContact O-CB 3.44Å; N310-R313 PolarHBondContact O-N 3.07Å; E311-R313 PolarHBondContact O-N 3.12Å; R313-R317 WeakPolarHBondContact O-CB 3.29Å; R313-R317 PolarHBondContact O-N 2.87Å; R313-V329 HydrophobicContact CG-CG1 4.3Å |
| 314 | D | 89.6 | Confident | 86.2 | Confident | 87 Ų | 87 | 81.3 Ų | 81.3 | 47% | 0.465 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -77.7 | -32.1 | 179.5 | -74.6 | -25.2 | 0 | 0 | 0 | 111.9 | N310 E311 R317 T318 | N310-D314 PolarHBondContact O-N 3.48Å; E311-D314 PolarHBondContact O-N 2.75Å; D314-R317 PolarHBondContact O-N 2.87Å; D314-T318 VanDerWaalsContact O-CB 3.29Å; D314-T318 WeakPolarHBondContact O-CB 3.35Å; D314-T318 PolarHBondContact O-N 2.83Å; D314-T318 PolarHBondContact O-OG1 3.03Å |
| 315 | D | 89.3 | Confident | 86.9 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.9 | -53.9 | 167.3 | -85.5 | -10 | 0 | 0 | 0 | 110.9 | E311 R317 T318 E319 | E311-D315 WeakPolarHBondContact O-CB 3.17Å; E311-D315 PolarHBondContact O-N 2.8Å; D315-R317 PolarHBondContact O-N 3.14Å; D315-T318 PolarHBondContact O-N 3.25Å; D315-T318 VanDerWaalsContact O-N 3.13Å; D315-E319 WeakPolarHBondContact O-CB 3.16Å; D315-E319 VanDerWaalsContact O-CG 3.3Å; D315-E319 WeakPolarHBondContact O-CG 3.32Å; D315-E319 PolarHBondContact O-N 3.01Å |
| 316 | L | 89.3 | Confident | 87.8 | Confident | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.2 | -41.9 | 176 | -89.9 | -178.5 | 0 | 0 | 0 | 112.1 | I293 M296 Y312 C320 V329 L331 A340 F357 | I293-L316 HydrophobicContact CD1-CD2 3.64Å; M296-L316 HydrophobicContact CE-CD1 3.59Å; M296-L316 HydrophobicContact CE-CG 3.94Å; M296-L316 HydrophobicContact SD-CD1 3.68Å; M296-L316 HydrophobicContact SD-CD2 3.6Å; M296-L316 VanDerWaalsContact SD-CD2 3.6Å; M296-L316 HydrophobicContact SD-CG 3.61Å; Y312-L316 VanDerWaalsContact O-CB 3.29Å; Y312-L316 WeakPolarHBondContact O-CB 3.4Å; Y312-L316 WeakPolarHBondContact O-CG 3.41Å; Y312-L316 PolarHBondContact O-N 3.15Å; L316-C320 WeakPolarHBondContact O-CB 3.33Å; L316-C320 PolarHBondContact O-N 2.9Å; L316-C320 PolarHBondContact O-SG 2.86Å; L316-V329 HydrophobicContact CB-CG1 4.24Å; L316-V329 HydrophobicContact CD1-CG1 4.05Å; L316-L331 HydrophobicContact CD1-CD1 3.75Å; L316-A340 HydrophobicContact CD1-CB 3.53Å; L316-F357 HydrophobicContact CD2-CE1 4.1Å |
| 317 | R | 91.7 | Very high | 88.5 | Confident | 141 Ų | 141 | 77.9 Ų | 77.9 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -50.9 | 177.1 | -174.6 | -179.3 | -177.8 | -178.9 | -0.5 | 111 | R313 D314 D315 E319 C320 E321 V329 | R313-R317 WeakPolarHBondContact O-CB 3.29Å; R313-R317 PolarHBondContact O-N 2.87Å; D314-R317 PolarHBondContact O-N 2.87Å; D315-R317 PolarHBondContact O-N 3.14Å; R317-E319 VanDerWaalsContact C-N 3.32Å; R317-E319 PolarHBondContact O-N 2.77Å; R317-C320 PolarHBondContact O-N 2.8Å; R317-E321 VanDerWaalsContact O-CB 3.25Å; R317-E321 WeakPolarHBondContact O-CB 3.46Å; R317-E321 PolarHBondContact O-N 2.94Å; R317-V329 HydrophobicContact CB-CG2 4.47Å |
| 318 | T | 91.9 | Very high | 89 | Confident | 80 Ų | 80 | 78.3 Ų | 78.3 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.9 | -34.7 | -178.7 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | D314 D315 | D314-T318 VanDerWaalsContact O-CB 3.29Å; D314-T318 WeakPolarHBondContact O-CB 3.35Å; D314-T318 PolarHBondContact O-N 2.83Å; D314-T318 PolarHBondContact O-OG1 3.03Å; D315-T318 PolarHBondContact O-N 3.25Å; D315-T318 VanDerWaalsContact O-N 3.13Å |
| 319 | E | 89.6 | Confident | 89.4 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 15% | 0.15 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.1 | -42.3 | 175.6 | -64.7 | -141.9 | 123.8 | 0 | 0 | 112.7 | D315 R317 E321 K322 F323 F357 R360 | D315-E319 WeakPolarHBondContact O-CB 3.16Å; D315-E319 VanDerWaalsContact O-CG 3.3Å; D315-E319 WeakPolarHBondContact O-CG 3.32Å; D315-E319 PolarHBondContact O-N 3.01Å; R317-E319 VanDerWaalsContact C-N 3.32Å; R317-E319 PolarHBondContact O-N 2.77Å; E319-E321 VanDerWaalsContact C-N 3.34Å; E319-K322 WeakPolarHBondContact O-CB 3.49Å; E319-K322 PolarHBondContact O-N 3.02Å; E319-K322 IonicContact OE1-NZ 3.99Å; E319-F323 VanDerWaalsContact O-CD2 3.24Å; E319-F323 WeakPolarHBondContact O-CD2 3.49Å; E319-F323 WeakPolarHBondContact O-CE2 3.32Å; E319-F357 HydrophobicContact CB-CZ 3.84Å; E319-R360 VanDerWaalsContact CD-NH1 3.25Å; E319-R360 IonicContact OE1-CZ 2.72Å; E319-R360 IonicContact OE1-NH1 2.61Å; E319-R360 PolarHBondContact OE1-NH1 3.18Å; E319-R360 VanDerWaalsContact OE1-NH1 3.15Å; E319-R360 IonicContact OE1-NH2 2.77Å; E319-R360 PolarHBondContact OE1-NH2 3.49Å; E319-R360 IonicContact OE2-CZ 3.36Å; E319-R360 IonicContact OE2-NH1 2.62Å; E319-R360 PolarHBondContact OE2-NH1 3.04Å; E319-R360 IonicContact OE2-NH2 2.72Å; E319-R360 PolarHBondContact OE2-NH2 3.19Å |
| 320 | C | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.8 | -29.7 | 178.4 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | L316 R317 K322 F323 G324 V326 V342 F344 | L316-C320 WeakPolarHBondContact O-CB 3.33Å; L316-C320 PolarHBondContact O-N 2.9Å; L316-C320 PolarHBondContact O-SG 2.86Å; R317-C320 PolarHBondContact O-N 2.8Å; C320-K322 PolarHBondContact O-N 3.23Å; C320-F323 PolarHBondContact O-N 3.21Å; C320-G324 PolarHBondContact O-N 3.47Å; C320-G324 VanDerWaalsContact O-N 3.08Å; C320-V326 HydrophobicContact CB-CG2 3.48Å; C320-V326 VanDerWaalsContact CB-CG2 3.48Å; C320-V342 HydrophobicContact CB-CG1 4.04Å; C320-F344 HydrophobicContact CB-CE1 3.99Å; C320-F344 HydrophobicContact CB-CZ 3.75Å |
| 321 | E | 91.6 | Very high | 89.8 | Confident | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.9 | -25.1 | 174.4 | -173.7 | 159.4 | -159.9 | 0 | 0 | 112.9 | R317 E319 F323 G324 | R317-E321 VanDerWaalsContact O-CB 3.25Å; R317-E321 WeakPolarHBondContact O-CB 3.46Å; R317-E321 PolarHBondContact O-N 2.94Å; E319-E321 VanDerWaalsContact C-N 3.34Å; E321-F323 PolarHBondContact O-N 3.35Å; E321-G324 WeakPolarHBondContact CA-O 3.11Å |
| 322 | K | 90.3 | Very high | 89.7 | Confident | 142 Ų | 142 | 70 Ų | 70 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -25.2 | 172.2 | -58.8 | 166.6 | -170.2 | 166.5 | 0 | 112.9 | E319 C320 | E319-K322 WeakPolarHBondContact O-CB 3.49Å; E319-K322 PolarHBondContact O-N 3.02Å; E319-K322 IonicContact OE1-NZ 3.99Å; C320-K322 PolarHBondContact O-N 3.23Å |
| 323 | F | 87.8 | Confident | 89.4 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 29% | 0.285 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -23.6 | -177.7 | -56.6 | -79.7 | 0 | 0 | 0 | 112.8 | E319 C320 E321 Q349 A352 C353 S356 F357 | E319-F323 VanDerWaalsContact O-CD2 3.24Å; E319-F323 WeakPolarHBondContact O-CD2 3.49Å; E319-F323 WeakPolarHBondContact O-CE2 3.32Å; C320-F323 PolarHBondContact O-N 3.21Å; E321-F323 PolarHBondContact O-N 3.35Å; F323-Q349 WeakPolarHBondContact O-CG 3.3Å; F323-A352 HydrophobicContact CD1-CB 4.35Å; F323-C353 HydrophobicContact CB-CB 4.44Å; F323-S356 WeakPolarHBondContact CE1-OG 3.5Å; F323-S356 VanDerWaalsContact CZ-CB 3.47Å; F323-F357 HydrophobicContact CD2-CE2 4.36Å; F323-F357 HydrophobicContact CE2-CD2 4.46Å; F323-F357 AromaticContact CE2-CE2 3.84Å; F323-F357 HydrophobicContact CE2-CE2 3.84Å |
| 324 | G | 89.8 | Confident | 88.8 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 172 | 178.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | C320 E321 V326 Q349 | C320-G324 PolarHBondContact O-N 3.47Å; C320-G324 VanDerWaalsContact O-N 3.08Å; E321-G324 WeakPolarHBondContact CA-O 3.11Å; G324-V326 PolarHBondContact O-N 2.92Å; G324-V326 VanDerWaalsContact O-N 3.14Å; G324-Q349 VanDerWaalsContact CA-CD 3.46Å |
| 325 | E | 90.9 | Very high | 88.3 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | trans | -75.2 | 104.6 | -178 | -170.9 | -178.5 | 137.4 | 0 | 0 | 110.5 | K345 | E325-K345 HydrophobicContact CB-CB 4Å; E325-K345 HydrophobicContact CB-CD 4.05Å; E325-K345 HydrophobicContact CG-CD 4.07Å; E325-K345 WeakPolarHBondContact O-CB 3.44Å; E325-K345 PolarHBondContact O-N 3.09Å; E325-K345 WeakPolarHBondContact OE1-CD 3.27Å; E325-K345 IonicContact OE1-NZ 3.8Å; E325-K345 PolarHBondContact OE1-NZ 2.82Å; E325-K345 WeakPolarHBondContact OE2-CD 3.36Å; E325-K345 WeakPolarHBondContact OE2-CE 3.45Å; E325-K345 IonicContact OE2-NZ 3.61Å; E325-K345 PolarHBondContact OE2-NZ 2.94Å | ||
| 326 | V | 92 | Very high | 87.7 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.8 | 179.3 | -176 | 0 | 0 | 0 | 0 | 110.3 | C320 G324 V329 V342 F344 | C320-V326 HydrophobicContact CB-CG2 3.48Å; C320-V326 VanDerWaalsContact CB-CG2 3.48Å; G324-V326 PolarHBondContact O-N 2.92Å; G324-V326 VanDerWaalsContact O-N 3.14Å; V326-V329 HydrophobicContact CG1-CG2 3.63Å; V326-V342 HydrophobicContact CG1-CG1 3.8Å; V326-V342 HydrophobicContact CG2-CG1 4.26Å; V326-F344 HydrophobicContact CG2-CD1 4.26Å; V326-F344 HydrophobicContact CG2-CE1 3.88Å |
| 327 | K | 90.9 | Very high | 87.3 | Confident | 132 Ų | 132 | 70 Ų | 70 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -38.4 | 177.3 | -71.9 | 177 | 174.4 | 160.1 | 0 | 113.4 | A343 | K327-A343 PolarHBondContact N-O 3.15Å |
| 328 | K | 89.6 | Confident | 86.9 | Confident | 130 Ų | 130 | 63.2 Ų | 63.2 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154 | 131.2 | -177.2 | -164.2 | -178.2 | -177.5 | -165.6 | 0 | 109.9 | I330 A343 | K328-I330 HydrophobicContact CD-CD1 3.93Å; K328-I330 HydrophobicContact CD-CG1 3.96Å; K328-I330 HydrophobicContact CG-CG1 4.07Å; K328-A343 HydrophobicContact CB-CB 4.24Å; K328-A343 PolarHBondContact N-O 2.96Å; K328-A343 PolarHBondContact O-N 3.2Å |
| 329 | V | 91.2 | Very high | 86.8 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.6 | 165.3 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | R313 L316 R317 V326 S341 V342 | R313-V329 HydrophobicContact CG-CG1 4.3Å; L316-V329 HydrophobicContact CB-CG1 4.24Å; L316-V329 HydrophobicContact CD1-CG1 4.05Å; R317-V329 HydrophobicContact CB-CG2 4.47Å; V326-V329 HydrophobicContact CG1-CG2 3.63Å; V329-S341 WeakPolarHBondContact CA-O 3.45Å; V329-V342 HydrophobicContact CG1-CG2 4.45Å; V329-V342 HydrophobicContact CG2-CG1 4.48Å |
| 330 | I | 88.9 | Confident | 86.8 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.8 | 173.8 | -51.9 | 176.4 | 0 | 0 | 0 | 107.3 | K328 F332 S341 | K328-I330 HydrophobicContact CD-CD1 3.93Å; K328-I330 HydrophobicContact CD-CG1 3.96Å; K328-I330 HydrophobicContact CG-CG1 4.07Å; I330-F332 HydrophobicContact CG2-CD1 4.34Å; I330-F332 HydrophobicContact CG2-CE1 3.81Å; I330-F332 HydrophobicContact CG2-CE2 4.39Å; I330-F332 HydrophobicContact CG2-CZ 3.85Å; I330-S341 PolarHBondContact N-O 3.24Å; I330-S341 PolarHBondContact O-N 2.86Å |
| 331 | L | 88.3 | Confident | 86.9 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.2 | 169.9 | -136 | 77.3 | 0 | 0 | 0 | 109.6 | M296 F297 F302 L309 L316 A340 | M296-L331 HydrophobicContact CE-CD1 3.68Å; F297-L331 HydrophobicContact CD1-CD2 4Å; F297-L331 HydrophobicContact CD1-CG 4.37Å; F297-L331 HydrophobicContact CE1-CD1 3.94Å; F297-L331 HydrophobicContact CE1-CD2 3.53Å; F297-L331 HydrophobicContact CE1-CG 3.49Å; F297-L331 VanDerWaalsContact CE1-CG 3.49Å; F297-L331 HydrophobicContact CZ-CD2 3.91Å; F297-L331 HydrophobicContact CZ-CG 3.84Å; F302-L331 HydrophobicContact CE1-CD2 3.97Å; F302-L331 HydrophobicContact CZ-CD2 4.06Å; L309-L331 HydrophobicContact CD1-CB 4.15Å; L309-L331 HydrophobicContact CD1-CD2 3.52Å; L309-L331 HydrophobicContact CD1-CG 4.43Å; L316-L331 HydrophobicContact CD1-CD1 3.75Å; L331-A340 HydrophobicContact CD1-CB 3.58Å |
| 332 | F | 85.6 | Confident | 87 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 75.4 | 174.4 | -57.4 | -70.5 | 0 | 0 | 0 | 109.2 | F297 I330 R334 H335 V339 Y378 Q379 | F297-F332 WeakPolarHBondContact CE2-O 3.35Å; F297-F332 WeakPolarHBondContact CZ-O 3.24Å; I330-F332 HydrophobicContact CG2-CD1 4.34Å; I330-F332 HydrophobicContact CG2-CE1 3.81Å; I330-F332 HydrophobicContact CG2-CE2 4.39Å; I330-F332 HydrophobicContact CG2-CZ 3.85Å; F332-R334 PolarHBondContact O-N 2.96Å; F332-R334 VanDerWaalsContact O-N 3.12Å; F332-H335 HydrophobicContact CB-CB 4.11Å; F332-H335 WeakPolarHBondContact O-CB 3.42Å; F332-H335 PolarHBondContact O-N 3.12Å; F332-V339 WeakPolarHBondContact CB-O 3.39Å; F332-V339 HydrophobicContact CD2-CB 4.21Å; F332-V339 HydrophobicContact CD2-CG1 4.02Å; F332-V339 WeakPolarHBondContact CD2-O 3.3Å; F332-V339 PolarHBondContact N-O 3.41Å; F332-Y378 WeakPolarHBondContact CD1-O 3.16Å; F332-Y378 WeakPolarHBondContact CG-O 3.34Å; F332-Q379 HydrophobicContact CD1-CB 4.19Å; F332-Q379 HydrophobicContact CE1-CB 3.86Å |
| 333 | D | 81.1 | Confident | 87.1 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 31% | 0.31 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40 | -44.3 | 179.9 | 63.2 | -33.3 | 0 | 0 | 0 | 114.1 | L309 | L309-D333 HydrophobicContact CD1-CB 4.46Š|
| 334 | R | 75.9 | Confident | 87.3 | Confident | 100 Ų | 100 | 43.9 Ų | 43.9 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -5.4 | -175 | -68.5 | 141.9 | -176.2 | -114.6 | -19.5 | 115.1 | F332 V380 E382 | F332-R334 PolarHBondContact O-N 2.96Å; F332-R334 VanDerWaalsContact O-N 3.12Å; R334-V380 HydrophobicContact CB-CB 4.42Å; R334-E382 IonicContact CZ-OE1 2.75Å; R334-E382 VanDerWaalsContact CZ-OE1 3.28Å; R334-E382 VanDerWaalsContact NH1-CB 3.31Å; R334-E382 IonicContact NH1-OE1 3.37Å; R334-E382 PolarHBondContact NH1-OE1 3.3Å; R334-E382 IonicContact NH1-OE2 3.48Å; R334-E382 IonicContact NH2-OE1 3.83Å; R334-E382 PolarHBondContact NH2-OE1 3.36Å |
| 335 | H | 79.9 | Confident | 87.4 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | trans | -77.5 | 124.7 | -178.2 | -163.3 | -66 | 0 | 0 | 0 | 109.9 | P299 F332 D337 G338 V339 Y378 V380 | P299-H335 WeakPolarHBondContact CG-O 3.38Å; F332-H335 HydrophobicContact CB-CB 4.11Å; F332-H335 WeakPolarHBondContact O-CB 3.42Å; F332-H335 PolarHBondContact O-N 3.12Å; H335-D337 VanDerWaalsContact C-N 3.27Å; H335-D337 IonicContact CE1-OD2 3.78Å; H335-D337 PolarHBondContact CE1-OD2 3.36Å; H335-D337 PolarHBondContact ND1-N 2.71Å; H335-D337 IonicContact ND1-OD2 3.18Å; H335-D337 PolarHBondContact O-N 2.9Å; H335-G338 WeakPolarHBondContact O-CA 3.44Å; H335-G338 PolarHBondContact O-N 2.67Å; H335-V339 HydrophobicContact CB-CB 4.27Å; H335-V339 HydrophobicContact CB-CG2 4.16Å; H335-V339 WeakPolarHBondContact ND1-CG2 3.4Å; H335-Y378 AromaticContact NE2-CD1 3.94Å; H335-V380 HydrophobicContact CB-CG2 4.31Å | ||
| 336 | P | 77.3 | Confident | 87.3 | Confident | 85 Ų | 85 | 45.8 Ų | 45.8 | 55% | 0.552 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -37.1 | -175.6 | 21.9 | -33.5 | 0 | 0 | 0 | 113.1 | G338 | P336-G338 PolarHBondContact O-N 3.15Š|
| 337 | D | 79.6 | Confident | 87.2 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 6 | 174 | -55.8 | -37.8 | 0 | 0 | 0 | 114.9 | N295 H335 V339 | N295-D337 WeakPolarHBondContact CA-O 3.36Å; N295-D337 PolarHBondContact N-O 3.43Å; H335-D337 VanDerWaalsContact C-N 3.27Å; H335-D337 IonicContact CE1-OD2 3.78Å; H335-D337 PolarHBondContact CE1-OD2 3.36Å; H335-D337 PolarHBondContact ND1-N 2.71Å; H335-D337 IonicContact ND1-OD2 3.18Å; H335-D337 PolarHBondContact O-N 2.9Å; D337-V339 HydrophobicContact CB-CG2 4.17Å |
| 338 | G | 83.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 55.9 | 68.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N295 M296 F297 H335 P336 | N295-G338 PolarHBondContact N-O 2.87Å; M296-G338 PolarHBondContact N-O 2.91Å; F297-G338 VanDerWaalsContact CD2-CA 3.47Å; F297-G338 VanDerWaalsContact CE1-C 3.5Å; F297-G338 WeakPolarHBondContact O-CA 3.49Å; H335-G338 WeakPolarHBondContact O-CA 3.44Å; H335-G338 PolarHBondContact O-N 2.67Å; P336-G338 PolarHBondContact O-N 3.15Å | ||
| 339 | V | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.4 | -167.7 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | I292 I293 R294 F332 H335 D337 Y378 | I292-V339 HydrophobicContact CG2-CG1 3.56Å; I293-V339 CarbonylContact O-C 3.57Å; I293-V339 WeakPolarHBondContact O-CA 3.49Å; R294-V339 HydrophobicContact CG-CG2 4.24Å; F332-V339 WeakPolarHBondContact CB-O 3.39Å; F332-V339 HydrophobicContact CD2-CB 4.21Å; F332-V339 HydrophobicContact CD2-CG1 4.02Å; F332-V339 WeakPolarHBondContact CD2-O 3.3Å; F332-V339 PolarHBondContact N-O 3.41Å; H335-V339 HydrophobicContact CB-CB 4.27Å; H335-V339 HydrophobicContact CB-CG2 4.16Å; H335-V339 WeakPolarHBondContact ND1-CG2 3.4Å; D337-V339 HydrophobicContact CB-CG2 4.17Å; V339-Y378 HydrophobicContact CG1-CD1 4.18Å; V339-Y378 HydrophobicContact CG1-CD2 4.48Å; V339-Y378 HydrophobicContact CG1-CG 3.98Å |
| 340 | A | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I292 I293 M296 L316 L331 | I292-A340 WeakPolarHBondContact CA-O 3.47Å; I293-A340 HydrophobicContact CB-CB 4.41Å; I293-A340 PolarHBondContact N-O 2.9Å; I293-A340 PolarHBondContact O-N 3.36Å; M296-A340 HydrophobicContact CE-CB 4.32Å; M296-A340 HydrophobicContact SD-CB 4.49Å; L316-A340 HydrophobicContact CD1-CB 3.53Å; L331-A340 HydrophobicContact CD1-CB 3.58Å |
| 341 | S | 91.6 | Very high | 87.4 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | V290 V291 V329 I330 | V290-S341 WeakPolarHBondContact CG1-OG 3.46Å; V291-S341 WeakPolarHBondContact O-CA 3.48Å; V329-S341 WeakPolarHBondContact CA-O 3.45Å; I330-S341 PolarHBondContact N-O 3.24Å; I330-S341 PolarHBondContact O-N 2.86Å |
| 342 | V | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.8 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | V290 V291 I293 C320 V326 V329 F344 | V290-V342 CarbonylContact C-O 3.56Å; V290-V342 WeakPolarHBondContact CA-O 3.48Å; V291-V342 PolarHBondContact N-O 2.76Å; V291-V342 PolarHBondContact O-N 3.18Å; I293-V342 HydrophobicContact CD1-CG2 4.28Å; C320-V342 HydrophobicContact CB-CG1 4.04Å; V326-V342 HydrophobicContact CG1-CG1 3.8Å; V326-V342 HydrophobicContact CG2-CG1 4.26Å; V329-V342 HydrophobicContact CG1-CG2 4.45Å; V329-V342 HydrophobicContact CG2-CG1 4.48Å; V342-F344 HydrophobicContact CB-CE2 4.15Å; V342-F344 HydrophobicContact CG1-CD2 4.17Å; V342-F344 HydrophobicContact CG1-CE1 4.45Å; V342-F344 HydrophobicContact CG1-CE2 3.59Å; V342-F344 HydrophobicContact CG1-CZ 3.76Å |
| 343 | A | 92.6 | Very high | 87.9 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 116.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V290 K327 K328 | V290-A343 HydrophobicContact CG2-CB 4.01Å; K327-A343 PolarHBondContact N-O 3.15Å; K328-A343 HydrophobicContact CB-CB 4.24Å; K328-A343 PolarHBondContact N-O 2.96Å; K328-A343 PolarHBondContact O-N 3.2Å |
| 344 | F | 92.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 166.6 | 179.4 | -71.3 | -85.6 | 0 | 0 | 0 | 113.1 | K289 V291 C320 V326 V342 Q349 A350 C353 | K289-F344 PolarHBondContact O-N 3.48Å; V291-F344 HydrophobicContact CB-CE2 4.29Å; V291-F344 HydrophobicContact CG2-CD2 4.03Å; V291-F344 HydrophobicContact CG2-CE2 3.71Å; C320-F344 HydrophobicContact CB-CE1 3.99Å; C320-F344 HydrophobicContact CB-CZ 3.75Å; V326-F344 HydrophobicContact CG2-CD1 4.26Å; V326-F344 HydrophobicContact CG2-CE1 3.88Å; V342-F344 HydrophobicContact CB-CE2 4.15Å; V342-F344 HydrophobicContact CG1-CD2 4.17Å; V342-F344 HydrophobicContact CG1-CE1 4.45Å; V342-F344 HydrophobicContact CG1-CE2 3.59Å; V342-F344 HydrophobicContact CG1-CZ 3.76Å; F344-Q349 HydrophobicContact CB-CB 4.19Å; F344-Q349 HydrophobicContact CD1-CB 3.77Å; F344-Q349 HydrophobicContact CE1-CB 4.43Å; F344-Q349 HydrophobicContact CG-CB 4.09Å; F344-A350 HydrophobicContact CD2-CB 3.91Å; F344-C353 HydrophobicContact CE2-CB 3.96Å; F344-C353 HydrophobicContact CZ-CB 3.75Å |
| 345 | K | 91.2 | Very high | 89.2 | Confident | 74 Ų | 74 | 40.2 Ų | 40.2 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -74 | -47.1 | 172 | -175 | 164.7 | 178.5 | 173.6 | 0 | 112.1 | K289 E325 | K289-K345 WeakPolarHBondContact CD-O 3.36Å; K289-K345 PolarHBondContact NZ-O 3.26Å; E325-K345 HydrophobicContact CB-CB 4Å; E325-K345 HydrophobicContact CB-CD 4.05Å; E325-K345 HydrophobicContact CG-CD 4.07Å; E325-K345 WeakPolarHBondContact O-CB 3.44Å; E325-K345 PolarHBondContact O-N 3.09Å; E325-K345 WeakPolarHBondContact OE1-CD 3.27Å; E325-K345 IonicContact OE1-NZ 3.8Å; E325-K345 PolarHBondContact OE1-NZ 2.82Å; E325-K345 WeakPolarHBondContact OE2-CD 3.36Å; E325-K345 WeakPolarHBondContact OE2-CE 3.45Å; E325-K345 IonicContact OE2-NZ 3.61Å; E325-K345 PolarHBondContact OE2-NZ 2.94Å |
| 346 | E | 89.7 | Confident | 89.7 | Confident | 81 Ų | 81 | 41.5 Ų | 41.5 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -118.3 | 149.9 | 179.7 | -62.6 | -47.2 | 145.9 | 0 | 0 | 112.9 | K289 E348 Q349 | K289-E346 IonicContact NZ-OE1 2.67Å; K289-E346 IonicContact NZ-OE2 3.38Å; K289-E346 PolarHBondContact NZ-OE2 2.88Å; E346-E348 VanDerWaalsContact C-N 3.35Å; E346-Q349 HydrophobicContact CB-CG 4.22Å; E346-Q349 VanDerWaalsContact N-OE1 3.1Å; E346-Q349 WeakPolarHBondContact O-CB 3.45Å; E346-Q349 PolarHBondContact O-N 3.27Å |
| 347 | P | 89.9 | Confident | 90.3 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.8 | -27.2 | -173 | 32.4 | -32.3 | 0 | 0 | 0 | 111.9 | R284 K289 Q349 A350 D351 | R284-P347 HydrophobicContact CB-CB 3.78Å; R284-P347 HydrophobicContact CB-CG 3.83Å; R284-P347 HydrophobicContact CG-CB 3.94Å; R284-P347 HydrophobicContact CG-CG 3.77Å; K289-P347 HydrophobicContact CG-CB 4.09Å; P347-Q349 PolarHBondContact O-N 3.28Å; P347-A350 WeakPolarHBondContact O-CB 3.49Å; P347-A350 PolarHBondContact O-N 3.41Å; P347-A350 VanDerWaalsContact O-N 3.12Å; P347-D351 PolarHBondContact O-N 2.84Å |
| 348 | E | 89.6 | Confident | 90.9 | Very high | 146 Ų | 146 | 38.3 Ų | 38.3 | 68% | 0.682 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.6 | -31.1 | 174.9 | -60.6 | 174.6 | 175.2 | 0 | 0 | 112 | E346 D351 A352 | E346-E348 VanDerWaalsContact C-N 3.35Å; E348-D351 PolarHBondContact O-N 3.32Å; E348-A352 PolarHBondContact O-N 3.15Å; E348-A352 VanDerWaalsContact O-N 3.07Å |
| 349 | Q | 92.1 | Very high | 91.1 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.9 | -37.3 | 176 | -58.4 | 170.2 | -22.8 | 0 | 0 | 110.9 | F323 G324 F344 E346 P347 C353 | F323-Q349 WeakPolarHBondContact O-CG 3.3Å; G324-Q349 VanDerWaalsContact CA-CD 3.46Å; F344-Q349 HydrophobicContact CB-CB 4.19Å; F344-Q349 HydrophobicContact CD1-CB 3.77Å; F344-Q349 HydrophobicContact CE1-CB 4.43Å; F344-Q349 HydrophobicContact CG-CB 4.09Å; E346-Q349 HydrophobicContact CB-CG 4.22Å; E346-Q349 VanDerWaalsContact N-OE1 3.1Å; E346-Q349 WeakPolarHBondContact O-CB 3.45Å; E346-Q349 PolarHBondContact O-N 3.27Å; P347-Q349 PolarHBondContact O-N 3.28Å; Q349-C353 WeakPolarHBondContact O-CB 3.38Å; Q349-C353 PolarHBondContact O-N 3.2Å |
| 350 | A | 91.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V291 F344 P347 A352 C353 I354 L371 | V291-A350 HydrophobicContact CG2-CB 3.53Å; F344-A350 HydrophobicContact CD2-CB 3.91Å; P347-A350 WeakPolarHBondContact O-CB 3.49Å; P347-A350 PolarHBondContact O-N 3.41Å; P347-A350 VanDerWaalsContact O-N 3.12Å; A350-A352 PolarHBondContact O-N 2.87Å; A350-C353 WeakPolarHBondContact O-CB 3.37Å; A350-C353 PolarHBondContact O-N 2.84Å; A350-I354 WeakPolarHBondContact O-CG1 3.4Å; A350-I354 PolarHBondContact O-N 2.96Å; A350-L371 HydrophobicContact CB-CD2 4.28Å |
| 351 | D | 91.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.5 | -59.9 | -25.9 | 0 | 0 | 0 | 111.5 | R284 P347 E348 C353 I354 L355 | R284-D351 IonicContact CZ-OD2 3.28Å; R284-D351 VanDerWaalsContact NH1-CG 3.31Å; R284-D351 IonicContact NH1-OD1 2.76Å; R284-D351 PolarHBondContact NH1-OD1 2.83Å; R284-D351 VanDerWaalsContact NH1-OD1 3.11Å; R284-D351 IonicContact NH1-OD2 3.88Å; R284-D351 PolarHBondContact NH1-OD2 3.3Å; R284-D351 IonicContact NH2-OD2 3.21Å; R284-D351 PolarHBondContact NH2-OD2 3.23Å; P347-D351 PolarHBondContact O-N 2.84Å; E348-D351 PolarHBondContact O-N 3.32Å; D351-C353 PolarHBondContact O-N 2.86Å; D351-I354 PolarHBondContact O-N 2.88Å; D351-L355 WeakPolarHBondContact O-CG 3.49Å; D351-L355 PolarHBondContact O-N 2.8Å; D351-L355 VanDerWaalsContact O-N 3.09Å |
| 352 | A | 92.4 | Very high | 90.3 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F323 E348 A350 S356 | F323-A352 HydrophobicContact CD1-CB 4.35Å; E348-A352 PolarHBondContact O-N 3.15Å; E348-A352 VanDerWaalsContact O-N 3.07Å; A350-A352 PolarHBondContact O-N 2.87Å; A352-S356 PolarHBondContact O-N 3.07Å; A352-S356 PolarHBondContact O-OG 3.19Å |
| 353 | C | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 173.3 | -171.8 | 0 | 0 | 0 | 0 | 111 | V291 F323 F344 Q349 A350 D351 L355 S356 F357 | V291-C353 HydrophobicContact CG2-CB 4.38Å; F323-C353 HydrophobicContact CB-CB 4.44Å; F344-C353 HydrophobicContact CE2-CB 3.96Å; F344-C353 HydrophobicContact CZ-CB 3.75Å; Q349-C353 WeakPolarHBondContact O-CB 3.38Å; Q349-C353 PolarHBondContact O-N 3.2Å; A350-C353 WeakPolarHBondContact O-CB 3.37Å; A350-C353 PolarHBondContact O-N 2.84Å; D351-C353 PolarHBondContact O-N 2.86Å; C353-L355 PolarHBondContact O-N 3.04Å; C353-S356 PolarHBondContact O-N 3.07Å; C353-S356 VanDerWaalsContact O-N 3.15Å; C353-F357 WeakPolarHBondContact O-CB 3.5Å; C353-F357 WeakPolarHBondContact O-CD2 3.33Å; C353-F357 PolarHBondContact O-N 3.46Å; C353-F357 VanDerWaalsContact SG-CD2 3.59Å |
| 354 | I | 92.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.138 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 179 | -73.5 | 165.4 | 0 | 0 | 0 | 111.6 | V291 A350 D351 S356 F357 N358 A369 L371 | V291-I354 HydrophobicContact CB-CG1 4.43Å; V291-I354 HydrophobicContact CG1-CD1 4.24Å; V291-I354 HydrophobicContact CG1-CG1 3.62Å; V291-I354 HydrophobicContact CG2-CD1 4.07Å; V291-I354 HydrophobicContact CG2-CG1 3.96Å; A350-I354 WeakPolarHBondContact O-CG1 3.4Å; A350-I354 PolarHBondContact O-N 2.96Å; D351-I354 PolarHBondContact O-N 2.88Å; I354-S356 PolarHBondContact O-N 2.9Å; I354-F357 PolarHBondContact O-N 2.86Å; I354-N358 WeakPolarHBondContact O-CB 3.43Å; I354-N358 PolarHBondContact O-N 2.82Å; I354-A369 HydrophobicContact CB-CB 4.41Å; I354-A369 HydrophobicContact CG1-CB 4.15Å; I354-A369 HydrophobicContact CG2-CB 4.47Å; I354-L371 HydrophobicContact CD1-CB 4.28Å; I354-L371 HydrophobicContact CD1-CD2 3.47Å; I354-L371 VanDerWaalsContact CD1-CD2 3.47Å; I354-L371 HydrophobicContact CD1-CG 3.5Å; I354-L371 VanDerWaalsContact CD1-CG 3.5Å |
| 355 | L | 91.9 | Very high | 88.4 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 77% | 0.77 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.3 | -27.5 | 177.6 | -70.8 | 171 | 0 | 0 | 0 | 113.2 | D351 C353 | D351-L355 WeakPolarHBondContact O-CG 3.49Å; D351-L355 PolarHBondContact O-N 2.8Å; D351-L355 VanDerWaalsContact O-N 3.09Å; C353-L355 PolarHBondContact O-N 3.04Å |
| 356 | S | 90.7 | Very high | 88.3 | Confident | 53 Ų | 53 | 66 Ų | 66 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -96.5 | -26.6 | -175.9 | -53 | 0 | 0 | 0 | 0 | 113.8 | F323 A352 C353 I354 | F323-S356 WeakPolarHBondContact CE1-OG 3.5Å; F323-S356 VanDerWaalsContact CZ-CB 3.47Å; A352-S356 PolarHBondContact O-N 3.07Å; A352-S356 PolarHBondContact O-OG 3.19Å; C353-S356 PolarHBondContact O-N 3.07Å; C353-S356 VanDerWaalsContact O-N 3.15Å; I354-S356 PolarHBondContact O-N 2.9Å |
| 357 | F | 89.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -94.4 | -30.8 | 179.9 | -84.8 | -110.1 | 0 | 0 | 0 | 113.2 | I293 L316 E319 F323 C353 I354 G359 R360 L367 A369 | I293-F357 HydrophobicContact CD1-CD1 3.72Å; I293-F357 HydrophobicContact CD1-CE1 3.88Å; I293-F357 HydrophobicContact CD1-CG 4.42Å; I293-F357 HydrophobicContact CG1-CD1 4.39Å; I293-F357 HydrophobicContact CG2-CD1 4.48Å; L316-F357 HydrophobicContact CD2-CE1 4.1Å; E319-F357 HydrophobicContact CB-CZ 3.84Å; F323-F357 HydrophobicContact CD2-CE2 4.36Å; F323-F357 HydrophobicContact CE2-CD2 4.46Å; F323-F357 AromaticContact CE2-CE2 3.84Å; F323-F357 HydrophobicContact CE2-CE2 3.84Å; C353-F357 WeakPolarHBondContact O-CB 3.5Å; C353-F357 WeakPolarHBondContact O-CD2 3.33Å; C353-F357 PolarHBondContact O-N 3.46Å; C353-F357 VanDerWaalsContact SG-CD2 3.59Å; I354-F357 PolarHBondContact O-N 2.86Å; F357-G359 PolarHBondContact O-N 3.13Å; F357-R360 WeakPolarHBondContact O-CB 3.39Å; F357-R360 PolarHBondContact O-N 2.84Å; F357-L367 HydrophobicContact CD1-CD1 3.83Å; F357-L367 HydrophobicContact CE1-CD1 4.37Å; F357-L367 WeakPolarHBondContact O-CB 3.48Å; F357-A369 HydrophobicContact CB-CB 3.72Å |
| 358 | N | 91.8 | Very high | 88.5 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 116 | -177.5 | -167.8 | 29.8 | 0 | 0 | 0 | 111.1 | I354 A369 | I354-N358 WeakPolarHBondContact O-CB 3.43Å; I354-N358 PolarHBondContact O-N 2.82Å; N358-A369 HydrophobicContact CB-CB 4.24Å |
| 359 | G | 88.4 | Confident | 88.6 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 3.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F357 L367 | F357-G359 PolarHBondContact O-N 3.13Å; G359-L367 PolarHBondContact N-O 3.17Å |
| 360 | R | 89.3 | Confident | 88.5 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | trans | -73.7 | 141.7 | 174.3 | -176.1 | 172 | 172.3 | -156.2 | -8.2 | 110.5 | E319 F357 Q366 L367 | E319-R360 VanDerWaalsContact CD-NH1 3.25Å; E319-R360 IonicContact OE1-CZ 2.72Å; E319-R360 IonicContact OE1-NH1 2.61Å; E319-R360 PolarHBondContact OE1-NH1 3.18Å; E319-R360 VanDerWaalsContact OE1-NH1 3.15Å; E319-R360 IonicContact OE1-NH2 2.77Å; E319-R360 PolarHBondContact OE1-NH2 3.49Å; E319-R360 IonicContact OE2-CZ 3.36Å; E319-R360 IonicContact OE2-NH1 2.62Å; E319-R360 PolarHBondContact OE2-NH1 3.04Å; E319-R360 IonicContact OE2-NH2 2.72Å; E319-R360 PolarHBondContact OE2-NH2 3.19Å; F357-R360 WeakPolarHBondContact O-CB 3.39Å; F357-R360 PolarHBondContact O-N 2.84Å; R360-Q366 WeakPolarHBondContact O-CA 3.24Å; R360-L367 PolarHBondContact O-N 3.45Å | ||
| 361 | W | 85.7 | Confident | 88.5 | Confident | 170 Ų | 170 | 61.8 Ų | 61.8 | 64% | 0.644 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 135.1 | 176.3 | -69.4 | 79.7 | 0 | 0 | 0 | 111.9 | G364 R365 Q366 | W361-G364 WeakPolarHBondContact CZ3-O 3.31Å; W361-R365 CarbonylContact C-O 3.6Å; W361-R365 VanDerWaalsContact CA-O 3.27Å; W361-R365 WeakPolarHBondContact CA-O 3.44Å; W361-Q366 HydrophobicContact CD2-CG 3.76Å; W361-Q366 HydrophobicContact CE3-CG 4.08Å; W361-Q366 HydrophobicContact CG-CG 4.28Å; W361-Q366 HydrophobicContact CH2-CG 4.24Å; W361-Q366 HydrophobicContact CZ2-CG 3.91Å; W361-Q366 HydrophobicContact CZ3-CG 4.3Å |
| 362 | F | 80.2 | Confident | 88.3 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 21% | 0.211 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 132.6 | 178.4 | -169.6 | -96 | 0 | 0 | 0 | 108.9 | M296 Y312 G364 R365 L367 | M296-F362 HydrophobicContact CG-CD1 3.93Å; M296-F362 HydrophobicContact CG-CE1 3.94Å; M296-F362 WeakPolarHBondContact O-CD1 3.36Å; Y312-F362 AromaticContact CD1-CE1 3.86Å; Y312-F362 HydrophobicContact CD1-CE1 3.86Å; Y312-F362 AromaticContact CD1-CZ 3.74Å; Y312-F362 HydrophobicContact CD1-CZ 3.74Å; Y312-F362 AromaticContact CE1-CE1 3.45Å; Y312-F362 HydrophobicContact CE1-CE1 3.45Å; Y312-F362 VanDerWaalsContact CE1-CE1 3.45Å; Y312-F362 AromaticContact CE1-CZ 3.58Å; Y312-F362 HydrophobicContact CE1-CZ 3.58Å; F362-G364 PolarHBondContact O-N 3.1Å; F362-R365 PolarHBondContact N-O 3.01Å; F362-R365 PolarHBondContact O-N 3.21Å; F362-R365 VanDerWaalsContact O-O 3.09Å; F362-L367 HydrophobicContact CB-CD1 3.89Å; F362-L367 HydrophobicContact CB-CD2 3.87Å; F362-L367 HydrophobicContact CB-CG 3.83Å; F362-L367 HydrophobicContact CG-CD1 4.44Å; F362-L367 HydrophobicContact CG-CD2 4.47Å |
| 363 | G | 72.5 | Confident | 87.6 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 75% | 0.753 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 25.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R365 | G363-R365 VanDerWaalsContact C-N 3.28Å; G363-R365 PolarHBondContact O-N 3.24Å |
| 364 | G | 81.6 | Confident | 86.7 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 67% | 0.67 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 5.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | W361 F362 | W361-G364 WeakPolarHBondContact CZ3-O 3.31Å; F362-G364 PolarHBondContact O-N 3.1Å |
| 365 | R | 82.9 | Confident | 85.5 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 163.9 | 175.8 | -59.1 | 178.9 | -177.4 | -177.4 | 1.6 | 110.3 | F297 W361 F362 G363 | F297-R365 PolarHBondContact O-NH1 3.17Å; W361-R365 CarbonylContact C-O 3.6Å; W361-R365 VanDerWaalsContact CA-O 3.27Å; W361-R365 WeakPolarHBondContact CA-O 3.44Å; F362-R365 PolarHBondContact N-O 3.01Å; F362-R365 PolarHBondContact O-N 3.21Å; F362-R365 VanDerWaalsContact O-O 3.09Å; G363-R365 VanDerWaalsContact C-N 3.28Å; G363-R365 PolarHBondContact O-N 3.24Å |
| 366 | Q | 89.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 67.1 Ų | 67.1 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.9 | 170.9 | -69 | 179.4 | 15.7 | 0 | 0 | 109.9 | N295 R360 W361 | N295-Q366 WeakPolarHBondContact CB-O 3.32Å; R360-Q366 WeakPolarHBondContact O-CA 3.24Å; W361-Q366 HydrophobicContact CD2-CG 3.76Å; W361-Q366 HydrophobicContact CE3-CG 4.08Å; W361-Q366 HydrophobicContact CG-CG 4.28Å; W361-Q366 HydrophobicContact CH2-CG 4.24Å; W361-Q366 HydrophobicContact CZ2-CG 3.91Å; W361-Q366 HydrophobicContact CZ3-CG 4.3Å |
| 367 | L | 91.7 | Very high | 83.4 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | trans | -76.4 | 143.4 | 175.2 | -59.9 | -177.6 | 0 | 0 | 0 | 110.8 | I293 M296 F357 G359 R360 F362 | I293-L367 HydrophobicContact CG2-CB 4.4Å; I293-L367 HydrophobicContact CG2-CD1 4.42Å; I293-L367 HydrophobicContact CG2-CD2 4.29Å; M296-L367 VanDerWaalsContact CA-CD2 3.46Å; M296-L367 HydrophobicContact CB-CD2 3.8Å; M296-L367 HydrophobicContact CG-CD2 3.9Å; F357-L367 HydrophobicContact CD1-CD1 3.83Å; F357-L367 HydrophobicContact CE1-CD1 4.37Å; F357-L367 WeakPolarHBondContact O-CB 3.48Å; G359-L367 PolarHBondContact N-O 3.17Å; R360-L367 PolarHBondContact O-N 3.45Å; F362-L367 HydrophobicContact CB-CD1 3.89Å; F362-L367 HydrophobicContact CB-CD2 3.87Å; F362-L367 HydrophobicContact CB-CG 3.83Å; F362-L367 HydrophobicContact CG-CD1 4.44Å; F362-L367 HydrophobicContact CG-CD2 4.47Å | ||
| 368 | S | 91.3 | Very high | 82.3 | Confident | 31 Ų | 31 | 73 Ų | 73 | 22% | 0.217 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.8 | 169 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | I293 R294 | I293-S368 CarbonylContact C-O 3.5Å; I293-S368 WeakPolarHBondContact CA-O 3.43Å; R294-S368 PolarHBondContact N-O 3.12Å; R294-S368 PolarHBondContact O-N 3Å; R294-S368 VanDerWaalsContact O-N 3.07Å |
| 369 | A | 92.8 | Very high | 81 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V291 I292 I293 I354 F357 N358 | V291-A369 HydrophobicContact CG1-CB 4.24Å; I292-A369 WeakPolarHBondContact O-CA 3.31Å; I293-A369 HydrophobicContact CG1-CB 4.47Å; I354-A369 HydrophobicContact CB-CB 4.41Å; I354-A369 HydrophobicContact CG1-CB 4.15Å; I354-A369 HydrophobicContact CG2-CB 4.47Å; F357-A369 HydrophobicContact CB-CB 3.72Å; N358-A369 HydrophobicContact CB-CB 4.24Å |
| 370 | Q | 90.7 | Very high | 79.8 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.9 | -177.9 | -63.7 | -173.9 | -14.4 | 0 | 0 | 110.9 | I292 R294 | I292-Q370 PolarHBondContact N-O 3.26Å; I292-Q370 PolarHBondContact O-N 3.13Å; R294-Q370 VanDerWaalsContact NH1-CD 3.33Å |
| 371 | L | 90.4 | Very high | 78.2 | Confident | 76 Ų | 76 | 78 Ų | 78 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 147 | 169.5 | -70 | 172 | 0 | 0 | 0 | 110.1 | E288 A350 I354 | E288-L371 WeakPolarHBondContact O-CD2 3.47Å; A350-L371 HydrophobicContact CB-CD2 4.28Å; I354-L371 HydrophobicContact CD1-CB 4.28Å; I354-L371 HydrophobicContact CD1-CD2 3.47Å; I354-L371 VanDerWaalsContact CD1-CD2 3.47Å; I354-L371 HydrophobicContact CD1-CG 3.5Å; I354-L371 VanDerWaalsContact CD1-CG 3.5Å |
| 372 | W | 87.8 | Confident | 76.6 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 22% | 0.216 | 40% | 0.398 | C | S | . | . | trans | -80.2 | 126.1 | 174.3 | -173.9 | 47.3 | 0 | 0 | 0 | 112 | H287 V290 I292 G374 T376 | H287-W372 CarbonylContact C-O 3.57Å; H287-W372 HydrophobicContact CB-CD2 4.2Å; H287-W372 HydrophobicContact CB-CE3 3.55Å; H287-W372 HydrophobicContact CB-CZ3 3.96Å; H287-W372 VanDerWaalsContact CB-O 3.3Å; H287-W372 WeakPolarHBondContact CB-O 3.29Å; H287-W372 AromaticContact CD2-CZ3 3.61Å; V290-W372 HydrophobicContact CB-CB 3.89Å; V290-W372 HydrophobicContact CB-CE3 4.08Å; V290-W372 HydrophobicContact CG1-CB 4.07Å; V290-W372 HydrophobicContact CG1-CE3 4.39Å; V290-W372 HydrophobicContact CG2-CE3 4.06Å; V290-W372 WeakPolarHBondContact O-CB 3.36Å; V290-W372 PolarHBondContact O-N 3.16Å; I292-W372 HydrophobicContact CD1-CB 4.14Å; I292-W372 HydrophobicContact CD1-CG 4.16Å; I292-W372 HydrophobicContact CG1-CB 3.87Å; I292-W372 HydrophobicContact CG1-CG 4.2Å; W372-G374 PolarHBondContact O-N 2.9Å; W372-T376 PolarHBondContact NE1-O 2.76Å; W372-T376 PolarHBondContact NE1-OG1 3.34Å | ||
| 373 | D | 77.9 | Confident | 75.4 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 65% | 0.652 | 41% | 0.414 | S | S | * | . | trans | -75.8 | -3.8 | -179.5 | -164.3 | 29.3 | 0 | 0 | 0 | 113.5 | T375 | D373-T375 PolarHBondContact O-N 2.81Š| ||
| 374 | G | 72.2 | Confident | 74.4 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 22% | 0.216 | 40% | 0.404 | C | S | . | . | S | Bend | trans | 78.6 | 0.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | W372 | W372-G374 PolarHBondContact O-N 2.9Š|
| 375 | T | 67 | Low | 73.3 | Confident | 115 Ų | 115 | 78.9 Ų | 78.9 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -123.9 | -18.3 | -177.1 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | D373 D377 | D373-T375 PolarHBondContact O-N 2.81Å; T375-D377 PolarHBondContact O-N 2.9Å |
| 376 | T | 71.4 | Confident | 72.4 | Confident | 52 Ų | 52 | 78.6 Ų | 78.6 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | trans | -88.4 | 105.6 | -179.5 | 42.8 | 0 | 0 | 0 | 0 | 111.7 | W372 Y378 | W372-T376 PolarHBondContact NE1-O 2.76Å; W372-T376 PolarHBondContact NE1-OG1 3.34Å; T376-Y378 WeakPolarHBondContact CB-OH 3.41Å; T376-Y378 WeakPolarHBondContact O-CD2 3.46Å; T376-Y378 VanDerWaalsContact OG1-CE2 3.24Å; T376-Y378 WeakPolarHBondContact OG1-CE2 3.38Å; T376-Y378 PolarHBondContact OG1-OH 3.29Å | ||
| 377 | D | 67.1 | Low | 71.1 | Confident | 145 Ų | 145 | 79.1 Ų | 79.1 | 78% | 0.775 | 40% | 0.404 | S | S | * | . | trans | -81.3 | 112.7 | 169 | -67.7 | -36.4 | 0 | 0 | 0 | 109.4 | T375 Q379 | T375-D377 PolarHBondContact O-N 2.9Å; D377-Q379 VanDerWaalsContact C-N 3.31Å | ||
| 378 | Y | 66.1 | Low | 69.8 | Low | 35 Ų | 35 | 84 Ų | 84 | 14% | 0.137 | 43% | 0.427 | C | S | . | . | trans | -90.8 | 6.3 | 176.5 | -63.4 | -75.7 | 0 | 0 | 0 | 113.1 | I292 R294 F332 H335 V339 T376 V380 | I292-Y378 HydrophobicContact CB-CE2 4.48Å; I292-Y378 HydrophobicContact CD1-CD2 3.98Å; I292-Y378 HydrophobicContact CD1-CE2 4Å; I292-Y378 HydrophobicContact CG1-CD2 4.32Å; I292-Y378 HydrophobicContact CG1-CE2 3.84Å; I292-Y378 HydrophobicContact CG2-CD2 4.23Å; I292-Y378 HydrophobicContact CG2-CE2 3.92Å; R294-Y378 PolarHBondContact NH2-OH 3.48Å; R294-Y378 VanDerWaalsContact NH2-OH 3.13Å; F332-Y378 WeakPolarHBondContact CD1-O 3.16Å; F332-Y378 WeakPolarHBondContact CG-O 3.34Å; H335-Y378 AromaticContact NE2-CD1 3.94Å; V339-Y378 HydrophobicContact CG1-CD1 4.18Å; V339-Y378 HydrophobicContact CG1-CD2 4.48Å; V339-Y378 HydrophobicContact CG1-CG 3.98Å; T376-Y378 WeakPolarHBondContact CB-OH 3.41Å; T376-Y378 WeakPolarHBondContact O-CD2 3.46Å; T376-Y378 VanDerWaalsContact OG1-CE2 3.24Å; T376-Y378 WeakPolarHBondContact OG1-CE2 3.38Å; T376-Y378 PolarHBondContact OG1-OH 3.29Å; Y378-V380 PolarHBondContact O-N 3.46Å; Y378-V380 VanDerWaalsContact O-N 3.13Å | ||
| 379 | Q | 64.3 | Low | 69 | Low | 119 Ų | 119 | 87.2 Ų | 87.2 | 56% | 0.556 | 44% | 0.439 | S | S | * | . | trans | -77.5 | 94.6 | 175.7 | -176.4 | 169.7 | -42.3 | 0 | 0 | 109.8 | F332 D377 E381 | F332-Q379 HydrophobicContact CD1-CB 4.19Å; F332-Q379 HydrophobicContact CE1-CB 3.86Å; D377-Q379 VanDerWaalsContact C-N 3.31Å; Q379-E381 HydrophobicContact CG-CG 4.1Å; Q379-E381 PolarHBondContact NE2-OE1 2.94Å; Q379-E381 PolarHBondContact O-N 3.34Å; Q379-E381 VanDerWaalsContact O-N 3.16Å | ||
| 380 | V | 62.8 | Low | 68.1 | Low | 62 Ų | 62 | 93 Ų | 93 | 38% | 0.376 | 46% | 0.46 | S | S | . | . | trans | -75.8 | 98.2 | 170 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | R334 H335 Y378 | R334-V380 HydrophobicContact CB-CB 4.42Å; H335-V380 HydrophobicContact CB-CG2 4.31Å; Y378-V380 PolarHBondContact O-N 3.46Å; Y378-V380 VanDerWaalsContact O-N 3.13Å | ||
| 381 | E | 56.6 | Low | 67.1 | Low | 146 Ų | 146 | 94.2 Ų | 94.2 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 138 | 168.6 | -61.3 | -162.9 | 157 | 0 | 0 | 110.1 | Q379 T383 | Q379-E381 HydrophobicContact CG-CG 4.1Å; Q379-E381 PolarHBondContact NE2-OE1 2.94Å; Q379-E381 PolarHBondContact O-N 3.34Å; Q379-E381 VanDerWaalsContact O-N 3.16Å; E381-T383 PolarHBondContact O-N 3.22Å |
| 382 | E | 52 | Low | 66.3 | Low | 33 Ų | 33 | 96.3 Ų | 96.3 | 15% | 0.154 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 121.6 | -177.4 | -141.8 | 169.5 | -127.6 | 0 | 0 | 111.2 | R334 E386 R387 R390 | R334-E382 IonicContact CZ-OE1 2.75Å; R334-E382 VanDerWaalsContact CZ-OE1 3.28Å; R334-E382 VanDerWaalsContact NH1-CB 3.31Å; R334-E382 IonicContact NH1-OE1 3.37Å; R334-E382 PolarHBondContact NH1-OE1 3.3Å; R334-E382 IonicContact NH1-OE2 3.48Å; R334-E382 IonicContact NH2-OE1 3.83Å; R334-E382 PolarHBondContact NH2-OE1 3.36Å; E382-E386 HydrophobicContact CG-CB 4.14Å; E382-R387 HydrophobicContact CG-CB 4.1Å; E382-R387 VanDerWaalsContact OE2-CB 3.29Å; E382-R387 WeakPolarHBondContact OE2-CB 3.47Å; E382-R387 VanDerWaalsContact OE2-CG 3.31Å; E382-R387 WeakPolarHBondContact OE2-CG 3.41Å; E382-R387 IonicContact OE2-CZ 2.81Å; E382-R387 IonicContact OE2-NE 3.34Å; E382-R387 PolarHBondContact OE2-NE 3.26Å; E382-R387 IonicContact OE2-NH2 2.9Å; E382-R387 PolarHBondContact OE2-NH2 3.48Å; E382-R390 IonicContact OE1-NE 3.96Å |
| 383 | T | 55 | Low | 65.6 | Low | 89 Ų | 89 | 95.6 Ų | 95.6 | 55% | 0.546 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 140.5 | 166.6 | -51.2 | 0 | 0 | 0 | 0 | 107.4 | E381 R385 E386 R387 | E381-T383 PolarHBondContact O-N 3.22Å; T383-R385 PolarHBondContact O-N 3.45Å; T383-E386 WeakPolarHBondContact CB-OE2 3.46Å; T383-E386 PolarHBondContact N-OE2 3.02Å; T383-E386 PolarHBondContact O-N 3.48Å; T383-E386 PolarHBondContact OG1-OE2 3.2Å; T383-R387 PolarHBondContact O-N 3.18Å |
| 384 | S | 52.3 | Low | 65.2 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -49.1 | -31.6 | -175 | -51 | 0 | 0 | 0 | 0 | 114 | R387 E388 | S384-R387 WeakPolarHBondContact O-CB 3.43Å; S384-E388 PolarHBondContact O-N 3.41Å |
| 385 | R | 57.9 | Low | 65 | Low | 174 Ų | 174 | 100 Ų | 100 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 177.4 | -176 | 175.7 | 178.8 | 163.7 | 0.8 | 114.1 | T383 R387 E388 E389 | T383-R385 PolarHBondContact O-N 3.45Å; R385-R387 VanDerWaalsContact C-N 3.29Å; R385-R387 PolarHBondContact O-N 2.93Å; R385-E388 WeakPolarHBondContact O-CB 3.21Å; R385-E388 PolarHBondContact O-N 3.35Å; R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 IonicContact NE-OE1 3.34Å; R385-E389 PolarHBondContact NE-OE1 3.41Å; R385-E389 WeakPolarHBondContact O-CG 3.39Å; R385-E389 PolarHBondContact O-N 3.34Å |
| 386 | E | 63.3 | Low | 65.5 | Low | 97 Ų | 97 | 98.9 Ų | 98.9 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 179.1 | -65.8 | 158.7 | 152.7 | 0 | 0 | 110.2 | E382 T383 E388 E389 R390 | E382-E386 HydrophobicContact CG-CB 4.14Å; T383-E386 WeakPolarHBondContact CB-OE2 3.46Å; T383-E386 PolarHBondContact N-OE2 3.02Å; T383-E386 PolarHBondContact O-N 3.48Å; T383-E386 PolarHBondContact OG1-OE2 3.2Å; E386-E388 VanDerWaalsContact C-N 3.35Å; E386-E388 PolarHBondContact O-N 3.14Å; E386-E389 PolarHBondContact O-N 3.01Å; E386-R390 WeakPolarHBondContact O-CB 3.23Å; E386-R390 PolarHBondContact O-N 3.27Å |
| 387 | R | 61.7 | Low | 65.6 | Low | 119 Ų | 119 | 103.4 Ų | 103.4 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 172 | -170.1 | 178.2 | -62.5 | 134.7 | 10.6 | 112.4 | E382 T383 S384 R385 L391 | E382-R387 HydrophobicContact CG-CB 4.1Å; E382-R387 VanDerWaalsContact OE2-CB 3.29Å; E382-R387 WeakPolarHBondContact OE2-CB 3.47Å; E382-R387 VanDerWaalsContact OE2-CG 3.31Å; E382-R387 WeakPolarHBondContact OE2-CG 3.41Å; E382-R387 IonicContact OE2-CZ 2.81Å; E382-R387 IonicContact OE2-NE 3.34Å; E382-R387 PolarHBondContact OE2-NE 3.26Å; E382-R387 IonicContact OE2-NH2 2.9Å; E382-R387 PolarHBondContact OE2-NH2 3.48Å; T383-R387 PolarHBondContact O-N 3.18Å; S384-R387 WeakPolarHBondContact O-CB 3.43Å; R385-R387 VanDerWaalsContact C-N 3.29Å; R385-R387 PolarHBondContact O-N 2.93Å; R387-L391 WeakPolarHBondContact O-CB 3.48Å; R387-L391 PolarHBondContact O-N 3.43Å |
| 388 | E | 65.2 | Low | 66 | Low | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 175.8 | -73.8 | 177.1 | -153 | 0 | 0 | 112.5 | S384 R385 E386 L391 K392 | S384-E388 PolarHBondContact O-N 3.41Å; R385-E388 WeakPolarHBondContact O-CB 3.21Å; R385-E388 PolarHBondContact O-N 3.35Å; E386-E388 VanDerWaalsContact C-N 3.35Å; E386-E388 PolarHBondContact O-N 3.14Å; E388-L391 PolarHBondContact O-N 2.71Å; E388-K392 WeakPolarHBondContact O-CB 3.45Å; E388-K392 WeakPolarHBondContact O-CD 3.37Å; E388-K392 VanDerWaalsContact O-CG 3.26Å; E388-K392 WeakPolarHBondContact O-CG 3.49Å; E388-K392 PolarHBondContact O-N 3.02Å; E388-K392 IonicContact OE2-NZ 2.57Å |
| 389 | E | 74.8 | Confident | 66.1 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 176.1 | -73.2 | 169 | -167.8 | 0 | 0 | 110.7 | R385 E386 L391 K392 G393 | R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 IonicContact NE-OE1 3.34Å; R385-E389 PolarHBondContact NE-OE1 3.41Å; R385-E389 WeakPolarHBondContact O-CG 3.39Å; R385-E389 PolarHBondContact O-N 3.34Å; E386-E389 PolarHBondContact O-N 3.01Å; E389-L391 PolarHBondContact O-N 3.48Å; E389-K392 PolarHBondContact O-N 2.88Å; E389-G393 PolarHBondContact O-N 3.28Å |
| 390 | R | 73.5 | Confident | 65.8 | Low | 124 Ų | 124 | 99.6 Ų | 99.6 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 167.8 | -168 | -174 | 64.1 | 71.3 | 1.7 | 112.1 | E382 E386 K392 G393 W394 | E382-R390 IonicContact OE1-NE 3.96Å; E386-R390 WeakPolarHBondContact O-CB 3.23Å; E386-R390 PolarHBondContact O-N 3.27Å; R390-K392 VanDerWaalsContact C-N 3.33Å; R390-K392 PolarHBondContact O-N 3.47Å; R390-G393 PolarHBondContact O-N 3.2Å; R390-W394 WeakPolarHBondContact O-CB 3.26Å; R390-W394 PolarHBondContact O-N 2.85Å |
| 391 | L | 68.9 | Low | 65.5 | Low | 109 Ų | 109 | 99 Ų | 99 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 177.2 | -162.5 | 79.8 | 0 | 0 | 0 | 111.8 | R387 E388 E389 S395 | R387-L391 WeakPolarHBondContact O-CB 3.48Å; R387-L391 PolarHBondContact O-N 3.43Å; E388-L391 PolarHBondContact O-N 2.71Å; E389-L391 PolarHBondContact O-N 3.48Å; L391-S395 VanDerWaalsContact O-CB 3.23Å; L391-S395 WeakPolarHBondContact O-CB 3.49Å; L391-S395 PolarHBondContact O-N 3.22Å |
| 392 | K | 74.9 | Confident | 65.3 | Low | 119 Ų | 119 | 96.7 Ų | 96.7 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 174.8 | -73.1 | 161.4 | -173.3 | 157.6 | 0 | 111.8 | E388 E389 R390 S395 T396 | E388-K392 WeakPolarHBondContact O-CB 3.45Å; E388-K392 WeakPolarHBondContact O-CD 3.37Å; E388-K392 VanDerWaalsContact O-CG 3.26Å; E388-K392 WeakPolarHBondContact O-CG 3.49Å; E388-K392 PolarHBondContact O-N 3.02Å; E388-K392 IonicContact OE2-NZ 2.57Å; E389-K392 PolarHBondContact O-N 2.88Å; R390-K392 VanDerWaalsContact C-N 3.33Å; R390-K392 PolarHBondContact O-N 3.47Å; K392-S395 PolarHBondContact O-N 3.24Å; K392-T396 WeakPolarHBondContact O-CB 3.48Å; K392-T396 PolarHBondContact O-N 3.37Å; K392-T396 PolarHBondContact O-OG1 2.99Å |
| 393 | G | 73.3 | Confident | 65.2 | Low | 43 Ų | 43 | 100.9 Ų | 100.9 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E389 R390 T396 F397 | E389-G393 PolarHBondContact O-N 3.28Å; R390-G393 PolarHBondContact O-N 3.2Å; G393-T396 PolarHBondContact O-N 3.23Å; G393-F397 WeakPolarHBondContact O-CB 3.46Å; G393-F397 PolarHBondContact O-N 3.28Å |
| 394 | W | 68.9 | Low | 64.9 | Low | 160 Ų | 160 | 104.3 Ų | 104.3 | 61% | 0.606 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 178.1 | -140.5 | 59.8 | 0 | 0 | 0 | 112.7 | R390 F397 L398 | R390-W394 WeakPolarHBondContact O-CB 3.26Å; R390-W394 PolarHBondContact O-N 2.85Å; W394-F397 PolarHBondContact O-N 3.37Å; W394-L398 HydrophobicContact CE3-CD1 4.2Å; W394-L398 HydrophobicContact CZ3-CD1 4.42Å; W394-L398 WeakPolarHBondContact O-CG 3.41Å; W394-L398 PolarHBondContact O-N 2.88Å |
| 395 | S | 68.8 | Low | 64.6 | Low | 75 Ų | 75 | 106 Ų | 106 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 171.8 | -173 | 0 | 0 | 0 | 0 | 111.9 | L391 K392 F397 L398 D399 | L391-S395 VanDerWaalsContact O-CB 3.23Å; L391-S395 WeakPolarHBondContact O-CB 3.49Å; L391-S395 PolarHBondContact O-N 3.22Å; K392-S395 PolarHBondContact O-N 3.24Å; S395-F397 VanDerWaalsContact C-N 3.34Å; S395-F397 PolarHBondContact O-N 2.9Å; S395-L398 PolarHBondContact O-N 3.31Å; S395-D399 WeakPolarHBondContact O-CB 3.47Å; S395-D399 PolarHBondContact O-N 2.88Å |
| 396 | T | 76.1 | Confident | 64.1 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.8 | -35.5 | 176.8 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | K392 G393 G400 | K392-T396 WeakPolarHBondContact O-CB 3.48Å; K392-T396 PolarHBondContact O-N 3.37Å; K392-T396 PolarHBondContact O-OG1 2.99Å; G393-T396 PolarHBondContact O-N 3.23Å; T396-G400 PolarHBondContact O-N 3.49Å |
| 397 | F | 74.8 | Confident | 63 | Low | 147 Ų | 147 | 108 Ų | 108 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 174.6 | 179.8 | -99 | 0 | 0 | 0 | 111.9 | G393 W394 S395 G400 A401 | G393-F397 WeakPolarHBondContact O-CB 3.46Å; G393-F397 PolarHBondContact O-N 3.28Å; W394-F397 PolarHBondContact O-N 3.37Å; S395-F397 VanDerWaalsContact C-N 3.34Å; S395-F397 PolarHBondContact O-N 2.9Å; F397-G400 PolarHBondContact O-N 3.48Å; F397-A401 PolarHBondContact O-N 2.89Å |
| 398 | L | 74.8 | Confident | 62 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66 | -43.5 | 175.1 | -68.9 | 171.6 | 0 | 0 | 0 | 112.3 | W394 S395 G400 A401 D402 | W394-L398 HydrophobicContact CE3-CD1 4.2Å; W394-L398 HydrophobicContact CZ3-CD1 4.42Å; W394-L398 WeakPolarHBondContact O-CG 3.41Å; W394-L398 PolarHBondContact O-N 2.88Å; S395-L398 PolarHBondContact O-N 3.31Å; L398-G400 VanDerWaalsContact C-N 3.27Å; L398-G400 PolarHBondContact O-N 2.92Å; L398-A401 PolarHBondContact O-N 3.28Å; L398-D402 PolarHBondContact O-N 3.26Å; L398-D402 VanDerWaalsContact O-N 3.14Å |
| 399 | D | 68.6 | Low | 60.6 | Low | 88 Ų | 88 | 109.8 Ų | 109.8 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.6 | -27.6 | 175.2 | 178.7 | -100.3 | 0 | 0 | 0 | 112.7 | S395 K403 | S395-D399 WeakPolarHBondContact O-CB 3.47Å; S395-D399 PolarHBondContact O-N 2.88Å; D399-K403 WeakPolarHBondContact O-CG 3.42Å; D399-K403 PolarHBondContact O-N 3.39Å; D399-K403 IonicContact OD1-NZ 3.82Å; D399-K403 PolarHBondContact OD1-NZ 2.85Å; D399-K403 IonicContact OD2-NZ 2.72Å; D399-K403 PolarHBondContact OD2-NZ 3.2Å |
| 400 | G | 58.4 | Low | 58.7 | Low | 32 Ų | 32 | 110.7 Ų | 110.7 | 33% | 0.33 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70 | -42.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T396 F397 L398 D402 K403 E404 | T396-G400 PolarHBondContact O-N 3.49Å; F397-G400 PolarHBondContact O-N 3.48Å; L398-G400 VanDerWaalsContact C-N 3.27Å; L398-G400 PolarHBondContact O-N 2.92Å; G400-D402 VanDerWaalsContact C-N 3.34Å; G400-D402 PolarHBondContact O-N 2.96Å; G400-K403 PolarHBondContact O-N 3.33Å; G400-E404 PolarHBondContact O-N 3.21Å |
| 401 | A | 54.8 | Low | 56.7 | Low | 50 Ų | 50 | 108.6 Ų | 108.6 | 41% | 0.413 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65 | -35.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F397 L398 K403 E404 T405 | F397-A401 PolarHBondContact O-N 2.89Å; L398-A401 PolarHBondContact O-N 3.28Å; A401-K403 VanDerWaalsContact C-N 3.33Å; A401-E404 PolarHBondContact O-N 3.47Å; A401-T405 PolarHBondContact O-N 2.89Å; A401-T405 PolarHBondContact O-OG1 2.88Å |
| 402 | D | 52.3 | Low | 54.8 | Low | 97 Ų | 97 | 113 Ų | 113 | 52% | 0.519 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.6 | -39 | 173.6 | -147.9 | -87.5 | 0 | 0 | 0 | 111.3 | L398 G400 E404 T405 Q406 | L398-D402 PolarHBondContact O-N 3.26Å; L398-D402 VanDerWaalsContact O-N 3.14Å; G400-D402 VanDerWaalsContact C-N 3.34Å; G400-D402 PolarHBondContact O-N 2.96Å; D402-E404 PolarHBondContact O-N 2.88Å; D402-T405 WeakPolarHBondContact O-CB 3.5Å; D402-T405 PolarHBondContact O-N 3.18Å; D402-Q406 PolarHBondContact O-N 2.57Å |
| 403 | K | 50.8 | Low | 53.9 | Low | 122 Ų | 122 | 113 Ų | 113 | 53% | 0.53 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.2 | -28.2 | 177.7 | -76.2 | -177.6 | 177 | 78 | 0 | 115 | D399 G400 A401 | D399-K403 WeakPolarHBondContact O-CG 3.42Å; D399-K403 PolarHBondContact O-N 3.39Å; D399-K403 IonicContact OD1-NZ 3.82Å; D399-K403 PolarHBondContact OD1-NZ 2.85Å; D399-K403 IonicContact OD2-NZ 2.72Å; D399-K403 PolarHBondContact OD2-NZ 3.2Å; G400-K403 PolarHBondContact O-N 3.33Å; A401-K403 VanDerWaalsContact C-N 3.33Å |
| 404 | E | 48.5 | Very low | 51.6 | Low | 161 Ų | 161 | 115.9 Ų | 115.9 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.7 | -36.3 | 170.4 | -71.1 | -157.3 | 135.6 | 0 | 0 | 111.6 | G400 A401 D402 Q406 K407 | G400-E404 PolarHBondContact O-N 3.21Å; A401-E404 PolarHBondContact O-N 3.47Å; D402-E404 PolarHBondContact O-N 2.88Å; E404-Q406 VanDerWaalsContact C-N 3.3Å; E404-Q406 PolarHBondContact O-N 3.35Å; E404-K407 PolarHBondContact O-N 2.72Å |
| 405 | T | 46.5 | Very low | 49.7 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.9 | -35.3 | 177.7 | -52.2 | 0 | 0 | 0 | 0 | 112 | A401 D402 | A401-T405 PolarHBondContact O-N 2.89Å; A401-T405 PolarHBondContact O-OG1 2.88Å; D402-T405 WeakPolarHBondContact O-CB 3.5Å; D402-T405 PolarHBondContact O-N 3.18Å |
| 406 | Q | 47.8 | Very low | 47.7 | Very low | 139 Ų | 139 | 119.3 Ų | 119.3 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -81.3 | -10.1 | 179 | -66.5 | -161 | 4.2 | 0 | 0 | 115.8 | D402 E404 S409 | D402-Q406 PolarHBondContact O-N 2.57Å; E404-Q406 VanDerWaalsContact C-N 3.3Å; E404-Q406 PolarHBondContact O-N 3.35Å; Q406-S409 PolarHBondContact O-OG 3.34Å |
| 407 | K | 40.3 | Very low | 45.4 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -79.3 | -15.5 | -178.4 | -104.1 | 180 | 179.6 | 173.6 | 0 | 114.9 | E404 S409 | E404-K407 PolarHBondContact O-N 2.72Å; K407-S409 VanDerWaalsContact C-N 3.35Å |
| 408 | N | 39.3 | Very low | 43.1 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -86.1 | 3.1 | 179 | -102.1 | 0.5 | 0 | 0 | 0 | 114.7 | ||
| 409 | S | 37.2 | Very low | 40.9 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | trans | -125.4 | 63.1 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | Q406 K407 | Q406-S409 PolarHBondContact O-OG 3.34Å; K407-S409 VanDerWaalsContact C-N 3.35Å | ||
| 410 | S | 35.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | -110 | 97.1 | 171.9 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 411 | G | 29.4 | Very low | 38.8 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | trans | -142.8 | 97 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 412 | K | 30.3 | Very low | 37.6 | Very low | 203 Ų | 203 | 135.5 Ų | 135.5 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -84.6 | 175.9 | 174.6 | -105 | -167.9 | 170.1 | -179.8 | 0 | 110.9 | ||||
| 413 | P | 55.8 | Low | 36.5 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -136.6 | 177 | -37.4 | 37.3 | -20.7 | 0 | 0 | 0 | 113.1 | ||||
| 414 | A | 25.8 | Very low | 35.4 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -157.3 | 157.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 415 | E | 28.1 | Very low | 34.5 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -104.5 | 156.3 | -163.7 | -57 | 167.7 | 119.9 | 0 | 0 | 114.9 | ||||
| 416 | S | 26.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | 147.2 | 137.4 | 115.7 | 63.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 417 | N | 28.1 | Very low | 32.8 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -10.3 | 145.8 | 168 | -83.7 | -5 | 0 | 0 | 0 | 121.9 | ||||
| 418 | T | 26.4 | Very low | 32.3 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | 179.4 | 142.6 | 93.4 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 419 | E | 28.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -102.1 | -179.2 | 179.2 | -106.2 | -171.6 | 145.9 | 0 | 0 | 112.2 | ||||
| 420 | P | 54.2 | Low | 32.3 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | -138.1 | -156 | -23.9 | 36.9 | -15.5 | 0 | 0 | 0 | 113.4 | ||||
| 421 | S | 28.3 | Very low | 32.2 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 75.9 | 143.8 | 161.1 | 58.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 422 | E | 29.8 | Very low | 32 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | -160.4 | 136 | 8.2 | -135.3 | -178.3 | 162.7 | 0 | 0 | 115.3 | ||||
| 423 | S | 30.6 | Very low | 32 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 63.4 | 158.8 | 143.3 | 86.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 424 | T | 26.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | -152.2 | 143.8 | 15.6 | 19.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 425 | S | 30.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 49.3 | 154.1 | 143.5 | 66.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 426 | A | 30.8 | Very low | 31.6 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | cis | -172.9 | 173.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 427 | T | 27.9 | Very low | 31.7 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | cis | -174.3 | 145.2 | -22.2 | -85.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 428 | E | 29.2 | Very low | 31.8 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -88.1 | -177.3 | 173 | -119.5 | -156.8 | 82.4 | 0 | 0 | 111.7 | ||||
| 429 | P | 49.2 | Very low | 32.1 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | cis | -137.4 | -175.7 | 8.1 | 40.9 | -20.6 | 0 | 0 | 0 | 115.3 | ||||
| 430 | Q | 28.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | 161.3 | 146.5 | 100.9 | -139.6 | 164.5 | 30 | 0 | 0 | 115.4 | |||||
| 431 | Q | 32.9 | Very low | 31 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -86.9 | 166.9 | -176.2 | -56.2 | 158.7 | -60.6 | 0 | 0 | 113.7 | ||||
| 432 | T | 25.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | -160 | 121 | 130 | 4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 433 | E | 29.7 | Very low | 31.2 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -78.8 | -174.9 | 158.4 | -74 | -172.7 | 92.6 | 0 | 0 | 109.9 | ||||
| 434 | P | 46.2 | Very low | 31.6 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | cis | -136.6 | -157.6 | 8.6 | 44 | -21.7 | 0 | 0 | 0 | 113.7 | ||||
| 435 | Q | 28.7 | Very low | 31.8 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | -158.9 | -175.6 | 3.4 | -143.5 | 169 | -43.6 | 0 | 0 | 113.1 | ||||
| 436 | S | 27 | Very low | 32 | Very low | 89 Ų | 89 | 146.8 Ų | 146.8 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | -30.5 | 164.2 | 160.4 | 61.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 437 | S | 27.7 | Very low | 32.2 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | cis | -166.1 | 158 | 41 | 46.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 438 | E | 30.1 | Very low | 32.3 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | 18.4 | 127.1 | 150.1 | -68.6 | 151.7 | 112.5 | 0 | 0 | 121.1 | ||||
| 439 | Q | 31.7 | Very low | 32.9 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | 64.6 | 111.6 | 70.3 | -74.2 | -167.2 | -0.6 | 0 | 0 | 116.5 | |||||
| 440 | Q | 28.8 | Very low | 32.3 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | -166.7 | 161.6 | 129.1 | -114.1 | 176.1 | 5.1 | 0 | 0 | 113.8 | |||||
| 441 | E | 31.7 | Very low | 32.8 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -103.1 | 170.4 | -166.3 | -60.4 | 171.4 | 120.5 | 0 | 0 | 114.4 | ||||
| 442 | E | 32.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 36.5 | 129.1 | 156.3 | -66.9 | -161.4 | 133.6 | 0 | 0 | 121.7 | ||||
| 443 | R | 29.4 | Very low | 33.5 | Very low | 222 Ų | 222 | 139.4 Ų | 139.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | -171.2 | 174 | 104.2 | -101.7 | 167.1 | -164.7 | -86 | -11.5 | 114.9 | |||||
| 444 | V | 39.2 | Very low | 34.3 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -91.1 | -177.4 | -162.1 | -68.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 445 | D | 31 | Very low | 34.5 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 93.3 | 96.4 | 160 | -78.8 | -63.1 | 0 | 0 | 0 | 120.8 | ||||
| 446 | S | 33.8 | Very low | 35.6 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 48.4 | 141.9 | 103.7 | -141.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 447 | T | 35.3 | Very low | 37 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 85.8 | 120.5 | 159.3 | 66.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 448 | D | 30.8 | Very low | 38 | Very low | 134 Ų | 134 | 143 Ų | 143 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | 66.5 | 109 | 129.7 | -164.2 | 36.5 | 0 | 0 | 0 | 121.9 | |||||
| 449 | S | 41.1 | Very low | 38.8 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | -179.3 | 107 | 119.4 | -84.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 450 | S | 37.6 | Very low | 39.1 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 82% | 0.817 | S | S | * | * | 54.8 | 139.3 | 120.5 | -62.7 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 451 | L | 37.3 | Very low | 39.7 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 79.7 | 94.7 | 147.5 | -70.6 | 158 | 0 | 0 | 0 | 121.1 | ||||
| 452 | A | 39.6 | Very low | 40.1 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | -161.2 | 124.1 | 119.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 453 | G | 34.6 | Very low | 40.6 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -120.7 | 146.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 454 | S | 46.9 | Very low | 41.3 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -158.4 | 103.1 | 144 | -160.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 455 | D | 50.7 | Low | 41.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -77.1 | 151.6 | 156.5 | -161.4 | -77.3 | 0 | 0 | 0 | 108.2 | ||||
| 456 | N | 50 | Low | 42.2 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -153.6 | 108.6 | 159.6 | -169.3 | 103.6 | 0 | 0 | 0 | 110.1 | ||||
| 457 | E | 57.8 | Low | 42.8 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 70% | 0.701 | 84% | 0.835 | S | S | * | * | trans | -63.6 | 164.4 | -174.5 | -67.3 | -177.8 | 129.8 | 0 | 0 | 117.2 | ||||
| 458 | D | 47.9 | Very low | 43.4 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | trans | 51.1 | 126.3 | 138.5 | -74 | -130.2 | 0 | 0 | 0 | 123.6 | ||||
| 459 | A | 47 | Very low | 44.6 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 100% | 1.438 | 85% | 0.85 | S | S | * | * | -157.5 | 0 | 92.2 | 0 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 459 of 459 residues in 403.1 ms
(Link to these results)