| 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 | 45.6 | Very low | 51.1 | Low | 193 Ų | 193 | 133.7 Ų | 133.7 | 95% | 0.951 | 64% | 0.639 | S | S | * | * | 0 | -29.3 | 0 | -65.1 | -174.7 | 91.2 | 0 | 0 | 114.4 | |||||
| 2 | L | 37.6 | Very low | 51.5 | Low | 140 Ų | 140 | 132 Ų | 132 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.7 | -41.6 | 175.8 | -118.3 | 82.9 | 0 | 0 | 0 | 113.8 | S4 R5 L6 | L2-S4 VanDerWaalsContact C-N 3.29Å; L2-S4 PolarHBondContact O-N 3.42Å; L2-R5 PolarHBondContact O-N 3.07Å; L2-R5 VanDerWaalsContact O-N 3.1Å; L2-L6 PolarHBondContact O-N 3.35Å |
| 3 | K | 39.6 | Very low | 51.8 | Low | 181 Ų | 181 | 128.7 Ų | 128.7 | 79% | 0.787 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.6 | -37.5 | -179.3 | -71.4 | -179.1 | 175.7 | 176.5 | 0 | 113.2 | R7 | K3-R7 WeakPolarHBondContact O-CB 3.27Å; K3-R7 PolarHBondContact O-N 2.97Å |
| 4 | S | 40.4 | Very low | 51.6 | Low | 83 Ų | 83 | 129.1 Ų | 129.1 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.1 | -31.5 | 179.3 | -45.5 | 0 | 0 | 0 | 0 | 112.3 | L2 M8 | L2-S4 VanDerWaalsContact C-N 3.29Å; L2-S4 PolarHBondContact O-N 3.42Å; S4-M8 WeakPolarHBondContact O-CG 3.33Å; S4-M8 PolarHBondContact O-N 3.24Å |
| 5 | R | 52.4 | Low | 51.5 | Low | 128 Ų | 128 | 128.1 Ų | 128.1 | 48% | 0.483 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -78.9 | -36.9 | 179.8 | -66.2 | -165.4 | -176.7 | -88 | 9.2 | 112.4 | L2 M8 F9 Y246 | L2-R5 PolarHBondContact O-N 3.07Å; L2-R5 VanDerWaalsContact O-N 3.1Å; R5-M8 PolarHBondContact O-N 3.39Å; R5-F9 PolarHBondContact O-N 3.49Å; R5-Y246 PolarHBondContact NH1-OH 3.1Å |
| 6 | L | 61.5 | Low | 51.1 | Low | 117 Ų | 117 | 128 Ų | 128 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.4 | -38 | 172.7 | -169.6 | 66.5 | 0 | 0 | 0 | 111.6 | L2 F9 L10 | L2-L6 PolarHBondContact O-N 3.35Å; L6-F9 PolarHBondContact O-N 3.21Å; L6-L10 HydrophobicContact CG-CD1 4.17Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.09Å |
| 7 | R | 49.5 | Very low | 51.2 | Low | 176 Ų | 176 | 126.8 Ų | 126.8 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.1 | -40.1 | 176 | -173.9 | 179.8 | -66.6 | -165.5 | -2.8 | 112.8 | K3 N11 | K3-R7 WeakPolarHBondContact O-CB 3.27Å; K3-R7 PolarHBondContact O-N 2.97Å; R7-N11 WeakPolarHBondContact O-CB 3.46Å; R7-N11 VanDerWaalsContact O-CG 3.29Å; R7-N11 PolarHBondContact O-N 2.94Å; R7-N11 PolarHBondContact O-ND2 3.42Å |
| 8 | M | 52.5 | Low | 51 | Low | 116 Ų | 116 | 127 Ų | 127 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.3 | -45.5 | 175.1 | -72.1 | -66.8 | -61.8 | 0 | 0 | 111 | S4 R5 L10 N11 E12 | S4-M8 WeakPolarHBondContact O-CG 3.33Å; S4-M8 PolarHBondContact O-N 3.24Å; R5-M8 PolarHBondContact O-N 3.39Å; M8-L10 PolarHBondContact O-N 3.02Å; M8-N11 PolarHBondContact O-N 3.22Å; M8-E12 WeakPolarHBondContact O-CG 3.48Å; M8-E12 PolarHBondContact O-N 3.13Å |
| 9 | F | 62.1 | Low | 50.7 | Low | 152 Ų | 152 | 126.2 Ų | 126.2 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.3 | -40.3 | 180 | -153.3 | -91.3 | 0 | 0 | 0 | 112.8 | R5 L6 E12 L13 | R5-F9 PolarHBondContact O-N 3.49Å; L6-F9 PolarHBondContact O-N 3.21Å; F9-E12 PolarHBondContact O-N 3.47Å; F9-L13 HydrophobicContact CE1-CD1 4.46Å; F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 3.45Å |
| 10 | L | 66.1 | Low | 50.2 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.9 | -33.1 | 175.1 | -72.9 | 168.1 | 0 | 0 | 0 | 112.8 | L6 M8 K14 | L6-L10 HydrophobicContact CG-CD1 4.17Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.09Å; M8-L10 PolarHBondContact O-N 3.02Å; L10-K14 WeakPolarHBondContact O-CB 3.2Å; L10-K14 PolarHBondContact O-N 3.43Å |
| 11 | N | 54.4 | Low | 49.7 | Very low | 85 Ų | 85 | 121 Ų | 121 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.6 | -38.9 | 175.6 | -79.4 | -16.7 | 0 | 0 | 0 | 112.2 | R7 M8 K14 L15 | R7-N11 WeakPolarHBondContact O-CB 3.46Å; R7-N11 VanDerWaalsContact O-CG 3.29Å; R7-N11 PolarHBondContact O-N 2.94Å; R7-N11 PolarHBondContact O-ND2 3.42Å; M8-N11 PolarHBondContact O-N 3.22Å; N11-K14 PolarHBondContact O-N 3.26Å; N11-L15 PolarHBondContact O-N 2.97Å |
| 12 | E | 56.8 | Low | 49.1 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 53% | 0.528 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.4 | -42.4 | 175.1 | -66.1 | -67.2 | 145.8 | 0 | 0 | 111.5 | M8 F9 K14 L15 L16 | M8-E12 WeakPolarHBondContact O-CG 3.48Å; M8-E12 PolarHBondContact O-N 3.13Å; F9-E12 PolarHBondContact O-N 3.47Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 2.94Å; E12-L15 WeakPolarHBondContact O-CB 3.1Å; E12-L15 PolarHBondContact O-N 2.95Å; E12-L16 PolarHBondContact O-N 3.2Å; E12-L16 VanDerWaalsContact O-N 3.07Å |
| 13 | L | 54.9 | Low | 48.9 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 47% | 0.466 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.1 | -38.8 | 176 | -149.5 | 99.7 | 0 | 0 | 0 | 111.7 | F9 L15 L16 V17 | F9-L13 HydrophobicContact CE1-CD1 4.46Å; F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 3.45Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 2.97Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 3.35Å |
| 14 | K | 49.5 | Very low | 48.7 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 59% | 0.587 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.2 | -35.2 | 175 | -173.9 | 170.5 | -179 | 172.2 | 0 | 111.9 | L10 N11 E12 L18 | L10-K14 WeakPolarHBondContact O-CB 3.2Å; L10-K14 PolarHBondContact O-N 3.43Å; N11-K14 PolarHBondContact O-N 3.26Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 2.94Å; K14-L18 HydrophobicContact CG-CD1 3.8Å; K14-L18 HydrophobicContact CG-CG 4.48Å; K14-L18 WeakPolarHBondContact O-CB 3.33Å; K14-L18 WeakPolarHBondContact O-CD1 3.33Å; K14-L18 WeakPolarHBondContact O-CG 3.29Å; K14-L18 PolarHBondContact O-N 3.45Å; K14-L18 VanDerWaalsContact O-N 3.1Å |
| 15 | L | 49 | Very low | 48.2 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 60% | 0.597 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.9 | -47.2 | 174.8 | -137.8 | 93.2 | 0 | 0 | 0 | 110.7 | N11 E12 L13 V17 L18 T19 | N11-L15 PolarHBondContact O-N 2.97Å; E12-L15 WeakPolarHBondContact O-CB 3.1Å; E12-L15 PolarHBondContact O-N 2.95Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 3.29Å; L15-L18 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-OG1 3.48Å |
| 16 | L | 46.1 | Very low | 47.2 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61.9 | -40.9 | 179.4 | -104.2 | 138.5 | 0 | 0 | 0 | 113.3 | E12 L13 T19 G20 | E12-L16 PolarHBondContact O-N 3.2Å; E12-L16 VanDerWaalsContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 2.97Å; L16-T19 PolarHBondContact O-OG1 2.92Å; L16-G20 PolarHBondContact O-N 2.98Å |
| 17 | V | 52.1 | Low | 45.9 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 66% | 0.655 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.9 | -34 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | L13 L15 | L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 3.35Å; L15-V17 PolarHBondContact O-N 3.29Å |
| 18 | L | 47 | Very low | 45.2 | Very low | 130 Ų | 130 | 123 Ų | 123 | 68% | 0.681 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -81.5 | -21.6 | 179.8 | -69.5 | 171.9 | 0 | 0 | 0 | 113.7 | K14 L15 | K14-L18 HydrophobicContact CG-CD1 3.8Å; K14-L18 HydrophobicContact CG-CG 4.48Å; K14-L18 WeakPolarHBondContact O-CB 3.33Å; K14-L18 WeakPolarHBondContact O-CD1 3.33Å; K14-L18 WeakPolarHBondContact O-CG 3.29Å; K14-L18 PolarHBondContact O-N 3.45Å; K14-L18 VanDerWaalsContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 3.3Å |
| 19 | T | 46.8 | Very low | 44.1 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -88.6 | -10.3 | 173.9 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | L15 L16 | L15-T19 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-OG1 3.48Å; L16-T19 PolarHBondContact O-OG1 2.92Å |
| 20 | G | 40.8 | Very low | 42.9 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -94.7 | -5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L16 | L16-G20 PolarHBondContact O-N 2.98Š|
| 21 | G | 39.8 | Very low | 41.3 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -111.8 | 65.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 22 | G | 31.3 | Very low | 40 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -143.2 | 70.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 23 | R | 33.9 | Very low | 38.7 | Very low | 244 Ų | 244 | 130.4 Ų | 130.4 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 124.4 | 167 | -146.6 | 177.7 | -177.2 | -177.3 | 0.3 | 108 | R25 | R23-R25 PolarHBondContact O-N 2.91Š|
| 24 | P | 36 | Very low | 37.4 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 131.2 | -176.7 | 25.8 | -30.7 | 0 | 0 | 0 | 111.1 | ||
| 25 | R | 30.4 | Very low | 36.4 | Very low | 230 Ų | 230 | 127.8 Ų | 127.8 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 116.9 | 175.1 | -176.8 | 176.9 | -178.1 | 145.7 | -1.9 | 108.6 | R23 | R23-R25 PolarHBondContact O-N 2.91Š|
| 26 | A | 30.9 | Very low | 35.5 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 120.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 27 | E | 33.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 151.2 | 167.5 | -89.8 | -170 | 93.8 | 0 | 0 | 111.2 | ||
| 28 | P | 36.4 | Very low | 33.7 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | trans | -107.8 | 139.7 | -175.8 | 36.4 | -26.3 | 0 | 0 | 0 | 113.7 | ||||
| 29 | Q | 29.4 | Very low | 32.9 | Very low | 190 Ų | 190 | 122 Ų | 122 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | 174.6 | 169 | 143.5 | -137.3 | 133.3 | -7.9 | 0 | 0 | 112.1 | ||||
| 30 | P | 36.6 | Very low | 32.1 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | -122.8 | 168.1 | -52.2 | 30.7 | -13.7 | 0 | 0 | 0 | 114.5 | |||||
| 31 | R | 31.7 | Very low | 31.9 | Very low | 256 Ų | 256 | 130 Ų | 130 | 97% | 0.966 | 83% | 0.829 | S | S | * | * | trans | 7.6 | 134 | 154 | -82.1 | -178.8 | 164.9 | 178.5 | -4.1 | 122.2 | ||||
| 32 | G | 28.3 | Very low | 32.1 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | 146.1 | 122.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | G | 28.4 | Very low | 32.2 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | cis | 169.4 | 147 | 2.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 34 | G | 27.3 | Very low | 32.1 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | 106.7 | 110.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 35 | G | 28.9 | Very low | 31.7 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | 121.2 | 100.3 | 129.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 36 | G | 29.7 | Very low | 31.5 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | 82.6 | 124.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 37 | G | 30 | Very low | 31.4 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | cis | 154.6 | 136.1 | 13.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 38 | C | 31.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 121.7 Ų | 121.7 | 97% | 0.966 | 82% | 0.818 | S | S | * | * | trans | 49.5 | 139.3 | 166 | 65.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 39 | G | 30.1 | Very low | 31.1 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | cis | 176.1 | 119.9 | 4.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 40 | W | 30.5 | Very low | 31.2 | Very low | 259 Ų | 259 | 125.8 Ų | 125.8 | 98% | 0.981 | 82% | 0.823 | S | S | * | * | trans | 30.7 | 125.1 | 146.8 | -57.9 | 74.9 | 0 | 0 | 0 | 120.8 | ||||
| 41 | A | 35.3 | Very low | 31 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -60.5 | -179.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 42 | P | 44.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | cis | -153.2 | 176.4 | 41.3 | 37.3 | -11.9 | 0 | 0 | 0 | 118.5 | ||||
| 43 | F | 34.5 | Very low | 31.4 | Very low | 207 Ų | 207 | 118.8 Ų | 118.8 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | trans | -13.2 | 135.7 | 161.8 | -71 | -94.4 | 0 | 0 | 0 | 120.9 | ||||
| 44 | A | 30.5 | Very low | 31.5 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -175.8 | 142.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 45 | G | 28 | Very low | 31.9 | Very low | 69 Ų | 69 | 127 Ų | 127 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | cis | 122.3 | 119.3 | 24.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 46 | C | 26.3 | Very low | 32.1 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 92% | 0.919 | 81% | 0.812 | S | S | * | * | trans | 69.1 | 150.6 | 170.3 | -58.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 47 | S | 28.9 | Very low | 32.2 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | cis | -163.2 | 152.2 | 20.5 | -149 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 48 | T | 30.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 15.4 | 132.4 | 142.1 | 53.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 49 | R | 31.8 | Very low | 32.4 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | 169.3 | 151.3 | 95.6 | -161 | 147.7 | 74.2 | 159.9 | 5.8 | 112.1 | |||||
| 50 | D | 32 | Very low | 32.4 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -49.2 | 155.2 | 178.1 | -47.5 | -79.9 | 0 | 0 | 0 | 115.8 | ||||
| 51 | G | 32.8 | Very low | 32.5 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 166.3 | 102.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 52 | D | 35 | Very low | 32.6 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -57.6 | 158 | 169.5 | -143.6 | -82.1 | 0 | 0 | 0 | 113.5 | ||||
| 53 | G | 32.6 | Very low | 32.4 | Very low | 49 Ų | 49 | 143.5 Ų | 143.5 | 51% | 0.505 | 80% | 0.803 | S | S | . | * | trans | 125.4 | 114 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 54 | D | 31.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 58.9 | 129.3 | 142.5 | -44.1 | -44 | 0 | 0 | 0 | 116.8 | ||||
| 55 | E | 34.7 | Very low | 32.3 | Very low | 190 Ų | 190 | 145 Ų | 145 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | 179.7 | 121.8 | 62.7 | 45.1 | -156.1 | 70.3 | 0 | 0 | 108.8 | |||||
| 56 | E | 32.5 | Very low | 32.4 | Very low | 200 Ų | 200 | 153.9 Ų | 153.9 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -98.7 | 127.8 | 171 | -70.5 | -170 | 132.7 | 0 | 0 | 109.6 | ||||
| 57 | E | 32.1 | Very low | 32.8 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -156.9 | 143.5 | 157.6 | -137 | 178 | -179.1 | 0 | 0 | 114.6 | ||||
| 58 | Y | 32.2 | Very low | 32.9 | Very low | 182 Ų | 182 | 155 Ų | 155 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | trans | 88.2 | 121.9 | 148.5 | -135.9 | -106.2 | 0 | 0 | 0 | 117.9 | ||||
| 59 | Y | 33.3 | Very low | 33 | Very low | 185 Ų | 185 | 154 Ų | 154 | 73% | 0.725 | 82% | 0.823 | S | S | * | * | cis | -157.7 | 139.1 | 18.3 | -154 | -124.3 | 0 | 0 | 0 | 111.5 | ||||
| 60 | G | 31.5 | Very low | 32.9 | Very low | 53 Ų | 53 | 146.8 Ų | 146.8 | 55% | 0.546 | 82% | 0.819 | S | S | . | * | trans | -121.7 | 176.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 61 | S | 33 | Very low | 33 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | cis | -170.4 | 168.8 | 1 | -71.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 62 | E | 36 | Very low | 32.9 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -53.1 | 161.6 | 173.8 | -58.2 | 174.2 | 92.9 | 0 | 0 | 115.7 | ||||
| 63 | P | 40.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 153.5 Ų | 153.5 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -107.6 | 144.2 | 165.7 | 33.9 | -23.1 | 0 | 0 | 0 | 114.9 | ||||
| 64 | R | 31.4 | Very low | 33.6 | Very low | 244 Ų | 244 | 156 Ų | 156 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -97.6 | 146.9 | 174.1 | -175.1 | -177.7 | 180 | 105.7 | -2 | 111.2 | ||||
| 65 | A | 30.9 | Very low | 33.7 | Very low | 100 Ų | 100 | 160.5 Ų | 160.5 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -77.8 | 151.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 66 | R | 31.3 | Very low | 33.7 | Very low | 255 Ų | 255 | 156.3 Ų | 156.3 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | trans | -128.5 | 136.6 | 175.7 | -146.6 | 178.9 | -162.6 | 131.8 | -0.1 | 108.3 | ||||
| 67 | G | 33.3 | Very low | 33.9 | Very low | 70 Ų | 70 | 150.3 Ų | 150.3 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | -98.3 | 167 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 68 | L | 32.3 | Very low | 34.3 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 98% | 0.979 | 83% | 0.825 | S | S | * | * | trans | -174.1 | 158.1 | 150 | -104.2 | 160.5 | 0 | 0 | 0 | 111.5 | ||||
| 69 | A | 32.5 | Very low | 35 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -90.2 | 168.5 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 70 | G | 30.2 | Very low | 36.1 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | 176.7 | 131.5 | 164 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 71 | D | 32.8 | Very low | 37.4 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -64 | 150.4 | -169 | -59.2 | -76.7 | 0 | 0 | 0 | 119 | ||||
| 72 | K | 30.2 | Very low | 38 | Very low | 212 Ų | 212 | 147.5 Ų | 147.5 | 92% | 0.922 | 84% | 0.843 | S | S | * | * | 171.3 | 137.3 | 121.2 | -130.3 | 163.7 | 177.5 | 169.7 | 0 | 113.8 | |||||
| 73 | E | 36.4 | Very low | 38.7 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -86.3 | -176.8 | 175.1 | -143.8 | -151.9 | 118.9 | 0 | 0 | 112.9 | ||||
| 74 | P | 46.9 | Very low | 39.5 | Very low | 100 Ų | 100 | 142 Ų | 142 | 65% | 0.649 | 83% | 0.831 | S | S | * | * | -104 | 160.7 | -102.2 | 41.4 | -29.3 | 0 | 0 | 0 | 114.4 | |||||
| 75 | R | 32.8 | Very low | 40.4 | Very low | 246 Ų | 246 | 136.3 Ų | 136.3 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | trans | -157.2 | 128 | 162.4 | -123.4 | 174.6 | -177.5 | 175.2 | 0.5 | 114.3 | ||||
| 76 | A | 35.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | 8.7 | 127.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 77 | G | 36.2 | Very low | 42.1 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -78.3 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 78 | P | 41.5 | Very low | 43.1 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 140.5 | 168.5 | -0.8 | 22.5 | 0 | 0 | 0 | 113.2 | ||
| 79 | L | 46.6 | Very low | 43.8 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 152.8 | 173 | -76.3 | 146.4 | 0 | 0 | 0 | 112.8 | ||
| 80 | P | 56.5 | Low | 44.5 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 158.7 | 173.1 | 31.9 | -33 | 0 | 0 | 0 | 113.7 | ||
| 81 | P | 58.6 | Low | 45.2 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 161 | -176.1 | 29.9 | -35.4 | 0 | 0 | 0 | 114.4 | ||
| 82 | P | 46.3 | Very low | 45.9 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 150.5 | -169.8 | 29.9 | -34.7 | 0 | 0 | 0 | 114.8 | ||
| 83 | A | 49.5 | Very low | 46.6 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 155 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 84 | P | 57.3 | Low | 47.2 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 155.7 | 174.8 | 30.1 | -33.3 | 0 | 0 | 0 | 112.4 | ||
| 85 | P | 49.8 | Very low | 47.3 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 143.3 | -171.7 | 28.2 | -32.6 | 0 | 0 | 0 | 113.6 | ||
| 86 | L | 47.2 | Very low | 48 | Very low | 167 Ų | 167 | 114.8 Ų | 114.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 144.4 | 173.4 | -71.7 | 148.2 | 0 | 0 | 0 | 111.7 | ||
| 87 | P | 51.7 | Low | 48.7 | Very low | 112 Ų | 112 | 116 Ų | 116 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 156.3 | 170.8 | 31.2 | -31.6 | 0 | 0 | 0 | 112.1 | ||
| 88 | P | 55.3 | Low | 49.2 | Very low | 114 Ų | 114 | 117 Ų | 117 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -69 | 154.6 | -174.5 | 26.9 | -34 | 0 | 0 | 0 | 113.6 | G90 | P88-G90 PolarHBondContact O-N 3.35Š|
| 89 | P | 45.3 | Very low | 49.6 | Very low | 133 Ų | 133 | 115 Ų | 115 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -77.3 | 116.8 | -178.1 | 30.8 | -30.2 | 0 | 0 | 0 | 110 | ||
| 90 | G | 48.4 | Very low | 50 | Low | 72 Ų | 72 | 110.7 Ų | 110.7 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 154.7 | 7.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | P88 | P88-G90 PolarHBondContact O-N 3.35Š| ||
| 91 | A | 43.9 | Very low | 49.5 | Very low | 69 Ų | 69 | 113.2 Ų | 113.2 | 57% | 0.57 | 73% | 0.725 | S | S | * | * | trans | -116.1 | 25.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 92 | L | 47.3 | Very low | 48.8 | Very low | 126 Ų | 126 | 112.2 Ų | 112.2 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -84.1 | -14.5 | -177.2 | 12.4 | 159.8 | 0 | 0 | 0 | 113.8 | ||
| 93 | D | 46.6 | Very low | 49.1 | Very low | 134 Ų | 134 | 110.9 Ų | 110.9 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -100.1 | -5.3 | -173.3 | -60.9 | -33.5 | 0 | 0 | 0 | 114.3 | ||
| 94 | A | 48.5 | Very low | 49.1 | Very low | 75 Ų | 75 | 109.7 Ų | 109.7 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -101.4 | -14.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 95 | L | 48.5 | Very low | 48.9 | Very low | 145 Ų | 145 | 111.1 Ų | 111.1 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -93.3 | -15.8 | 177 | -72.6 | 166.7 | 0 | 0 | 0 | 113.2 | ||
| 96 | S | 48.3 | Very low | 49.8 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -85.7 | -8.7 | 179.2 | -57 | 0 | 0 | 0 | 0 | 113.6 | ||
| 97 | L | 48.8 | Very low | 51.1 | Low | 126 Ų | 126 | 109 Ų | 109 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -106 | 0.5 | 179.9 | -72.1 | 170 | 0 | 0 | 0 | 114.7 | S99 S100 | L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S100 PolarHBondContact O-OG 3.46Å |
| 98 | S | 46.6 | Very low | 52.6 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -1.8 | 170.4 | -59 | 0 | 0 | 0 | 0 | 113.2 | ||
| 99 | S | 51.2 | Low | 54.3 | Low | 92 Ų | 92 | 106.3 Ų | 106.3 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -14.7 | 180 | -173 | 0 | 0 | 0 | 0 | 113.8 | L97 | L97-S99 VanDerWaalsContact C-N 3.26Š|
| 100 | S | 53.8 | Low | 56.5 | Low | 77 Ų | 77 | 100 Ų | 100 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -103.5 | 5.3 | -166.8 | 38.6 | 0 | 0 | 0 | 0 | 116.7 | L97 | L97-S100 PolarHBondContact O-OG 3.46Š|
| 101 | L | 47.1 | Very low | 58.6 | Low | 166 Ų | 166 | 98.6 Ų | 98.6 | 87% | 0.869 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -120.7 | 4.1 | 178.8 | -84.9 | 159 | 0 | 0 | 0 | 116.2 | S103 | L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.19Å |
| 102 | D | 44.7 | Very low | 60.8 | Low | 98 Ų | 98 | 97.8 Ų | 97.8 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | trans | -97.2 | 49 | 169.1 | -169.8 | 67 | 0 | 0 | 0 | 111.5 | G104 R106 | D102-G104 VanDerWaalsContact C-N 3.33Å; D102-R106 VanDerWaalsContact O-CZ 3.32Å; D102-R106 PolarHBondContact O-NE 3.42Å; D102-R106 PolarHBondContact O-NH2 3.48Å; D102-R106 IonicContact OD2-CZ 3.1Å; D102-R106 IonicContact OD2-NE 3.72Å; D102-R106 IonicContact OD2-NH2 3.99Å; D102-R106 PolarHBondContact OD2-NH2 3.49Å | ||
| 103 | S | 51.1 | Low | 62.9 | Low | 103 Ų | 103 | 93.5 Ų | 93.5 | 72% | 0.72 | 55% | 0.549 | S | S | * | . | trans | -97.3 | 26.1 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | L101 | L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.19Å | ||
| 104 | G | 49.8 | Very low | 65 | Low | 64 Ų | 64 | 94.3 Ų | 94.3 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -98.7 | -39 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D102 | D102-G104 VanDerWaalsContact C-N 3.33Š|
| 105 | L | 54.1 | Low | 66.9 | Low | 150 Ų | 150 | 95.3 Ų | 95.3 | 79% | 0.785 | 54% | 0.538 | S | S | * | . | trans | -150.6 | 72.5 | -174.1 | -69.1 | 173.5 | 0 | 0 | 0 | 110.5 | T107 | L105-T107 PolarHBondContact O-N 3.05Š| ||
| 106 | R | 66.9 | Low | 68.7 | Low | 163 Ų | 163 | 89.1 Ų | 89.1 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | trans | -62.9 | 105.4 | 168.6 | -69.1 | -72.4 | 143.9 | 145.9 | -3.4 | 107.9 | D102 | D102-R106 VanDerWaalsContact O-CZ 3.32Å; D102-R106 PolarHBondContact O-NE 3.42Å; D102-R106 PolarHBondContact O-NH2 3.48Å; D102-R106 IonicContact OD2-CZ 3.1Å; D102-R106 IonicContact OD2-NE 3.72Å; D102-R106 IonicContact OD2-NH2 3.99Å; D102-R106 PolarHBondContact OD2-NH2 3.49Å | ||
| 107 | T | 75.7 | Confident | 70.3 | Confident | 85 Ų | 85 | 87.9 Ų | 87.9 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | trans | -58.2 | 138.7 | 176 | 48.3 | 0 | 0 | 0 | 0 | 108.9 | L105 Q109 | L105-T107 PolarHBondContact O-N 3.05Å; T107-Q109 PolarHBondContact O-N 2.9Å | ||
| 108 | P | 82.7 | Confident | 71.6 | Confident | 73 Ų | 73 | 89.9 Ų | 89.9 | 47% | 0.474 | 51% | 0.505 | S | S | . | . | trans | -61.9 | 126 | -179.8 | 26 | -33.7 | 0 | 0 | 0 | 109.2 | L122 | P108-L122 HydrophobicContact CB-CD2 4.26Å; P108-L122 WeakPolarHBondContact O-CD2 3.45Å | ||
| 109 | Q | 90.3 | Very high | 73 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | trans | -107 | 149.5 | 177.9 | -68.8 | 173 | 1.1 | 0 | 0 | 110.2 | T107 R111 Q115 L122 C134 | T107-Q109 PolarHBondContact O-N 2.9Å; Q109-R111 PolarHBondContact O-N 3.26Å; Q109-Q115 WeakPolarHBondContact CA-O 3.37Å; Q109-L122 VanDerWaalsContact C-CD2 3.46Å; Q109-C134 WeakPolarHBondContact O-CB 3.19Å | ||
| 110 | C | 92.2 | Very high | 74.3 | Confident | 1 Ų | 1 | 87.7 Ų | 87.7 | 1% | 0.007 | 48% | 0.482 | C | S | . | . | trans | -68.1 | 126.5 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | I112 C113 F114 Q115 L122 C134 H136 | C110-I112 PolarHBondContact O-N 3.32Å; C110-I112 VanDerWaalsContact O-N 3.1Å; C110-C113 VanDerWaalsContact CB-SG 3.56Å; C110-F114 WeakPolarHBondContact O-CA 3.13Å; C110-F114 PolarHBondContact O-N 3.31Å; C110-Q115 WeakPolarHBondContact CB-O 3.45Å; C110-Q115 PolarHBondContact N-O 3.33Å; C110-L122 HydrophobicContact CB-CD2 4.49Å; C110-C134 WeakPolarHBondContact CA-O 3.46Å; C110-H136 WeakPolarHBondContact CB-CE1 3.4Å; C110-H136 VanDerWaalsContact CB-ND1 3.27Å; C110-H136 WeakPolarHBondContact CB-ND1 3.1Å; C110-H136 PolarHBondContact SG-N 2.66Å; C110-H136 VanDerWaalsContact SG-N 3.4Å; C110-H136 PolarHBondContact SG-ND1 3.36Å; C110-H136 VanDerWaalsContact SG-ND1 3.38Å | ||
| 111 | R | 91.5 | Very high | 75.8 | Confident | 43 Ų | 43 | 90.9 Ų | 90.9 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.5 | -179 | 82.5 | -165.3 | -173.3 | 126.4 | 10.8 | 114.9 | Q109 V132 C134 T135 E153 Y159 | Q109-R111 PolarHBondContact O-N 3.26Å; R111-V132 WeakPolarHBondContact CD-O 3.45Å; R111-C134 PolarHBondContact N-O 3.44Å; R111-T135 HydrophobicContact CG-CG2 3.66Å; R111-E153 IonicContact NH1-OE1 3.5Å; R111-E153 IonicContact NH2-OE1 3.91Å; R111-Y159 PolarHBondContact NH2-OH 3.2Å |
| 112 | I | 91.5 | Very high | 77.8 | Confident | 51 Ų | 51 | 84.6 Ų | 84.6 | 26% | 0.262 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -48.5 | -173.7 | -59.2 | 169.1 | 0 | 0 | 0 | 110.6 | C110 T135 C139 W143 | C110-I112 PolarHBondContact O-N 3.32Å; C110-I112 VanDerWaalsContact O-N 3.1Å; I112-T135 HydrophobicContact CD1-CG2 3.88Å; I112-T135 HydrophobicContact CG1-CG2 4.19Å; I112-C139 HydrophobicContact CB-CB 4.09Å; I112-C139 HydrophobicContact CD1-CB 3.84Å; I112-C139 HydrophobicContact CG2-CB 4.21Å; I112-W143 HydrophobicContact CD1-CB 3.97Å; I112-W143 HydrophobicContact CD1-CG 4.33Å |
| 113 | C | 91.4 | Very high | 79.9 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 25% | 0.25 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -2 | -178.4 | 62.1 | 0 | 0 | 0 | 0 | 114 | C110 Q115 H136 | C110-C113 VanDerWaalsContact CB-SG 3.56Å; C113-Q115 PolarHBondContact O-N 2.9Å; C113-Q115 VanDerWaalsContact O-N 3.1Å; C113-H136 VanDerWaalsContact SG-CE1 3.58Å; C113-H136 PolarHBondContact SG-ND1 2.83Å |
| 114 | F | 89.9 | Confident | 81.8 | Confident | 150 Ų | 150 | 77.1 Ų | 77.1 | 66% | 0.658 | 41% | 0.411 | S | S | * | . | trans | 57.2 | 21.3 | -179.2 | -53.8 | -80 | 0 | 0 | 0 | 114.6 | C110 | C110-F114 WeakPolarHBondContact O-CA 3.13Å; C110-F114 PolarHBondContact O-N 3.31Å | ||
| 115 | Q | 88.9 | Confident | 83.8 | Confident | 96 Ų | 96 | 74.1 Ų | 74.1 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | trans | -101.2 | 152 | 179.7 | -72.8 | 163.1 | 21.6 | 0 | 0 | 111.2 | Q109 C110 C113 Q119 | Q109-Q115 WeakPolarHBondContact CA-O 3.37Å; C110-Q115 WeakPolarHBondContact CB-O 3.45Å; C110-Q115 PolarHBondContact N-O 3.33Å; C113-Q115 PolarHBondContact O-N 2.9Å; C113-Q115 VanDerWaalsContact O-N 3.1Å; Q115-Q119 HydrophobicContact CB-CG 4.4Å | ||
| 116 | G | 85.9 | Confident | 85.6 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | trans | -79.4 | -166.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | E118 Q119 H136 | G116-E118 PolarHBondContact O-N 3.32Å; G116-Q119 PolarHBondContact O-OE1 2.94Å; G116-H136 PolarHBondContact O-CE1 3.4Å; G116-H136 PolarHBondContact O-NE2 3.31Å | ||
| 117 | P | 81.6 | Confident | 86.7 | Confident | 63 Ų | 63 | 64 Ų | 64 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -69.2 | -14.4 | 178 | 27.1 | -33.4 | 0 | 0 | 0 | 114.5 | Q119 G120 L122 | P117-Q119 PolarHBondContact O-N 3.34Å; P117-Q119 VanDerWaalsContact O-N 3.13Å; P117-G120 WeakPolarHBondContact CA-O 3.36Å; P117-G120 CarbonylContact O-C 3.52Å; P117-G120 PolarHBondContact O-N 3.13Å; P117-G120 VanDerWaalsContact O-O 3.09Å; P117-L122 HydrophobicContact CB-CD1 3.6Å; P117-L122 HydrophobicContact CG-CD1 4.44Å |
| 118 | E | 77.5 | Confident | 87.4 | Confident | 169 Ų | 169 | 60.6 Ų | 60.6 | 79% | 0.79 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -58.6 | -24.7 | 178.2 | -59.6 | -58.8 | 136.7 | 0 | 0 | 113.2 | G116 | G116-E118 PolarHBondContact O-N 3.32Š|
| 119 | Q | 74.6 | Confident | 87.6 | Confident | 110 Ų | 110 | 62 Ų | 62 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -97.8 | -1.4 | 179.8 | -69.8 | 73.5 | 39.3 | 0 | 0 | 113.6 | Q115 G116 P117 | Q115-Q119 HydrophobicContact CB-CG 4.4Å; G116-Q119 PolarHBondContact O-OE1 2.94Å; P117-Q119 PolarHBondContact O-N 3.34Å; P117-Q119 VanDerWaalsContact O-N 3.13Å |
| 120 | G | 79.7 | Confident | 87.4 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 147.5 | 167.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | P117 L122 H136 | P117-G120 WeakPolarHBondContact CA-O 3.36Å; P117-G120 CarbonylContact O-C 3.52Å; P117-G120 PolarHBondContact O-N 3.13Å; P117-G120 VanDerWaalsContact O-O 3.09Å; G120-L122 PolarHBondContact O-N 3.48Å; G120-H136 PolarHBondContact O-CD2 3.44Å; G120-H136 VanDerWaalsContact O-CD2 3.25Å; G120-H136 PolarHBondContact O-NE2 2.65Å |
| 121 | E | 84.5 | Confident | 86.9 | Confident | 145 Ų | 145 | 63.8 Ų | 63.8 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | trans | -61.7 | 131.1 | 178.2 | -170.7 | -178.5 | 177.9 | 0 | 0 | 111.5 | ||||
| 122 | L | 89.1 | Confident | 86.7 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 131.8 | 174 | -75.1 | 87.5 | 0 | 0 | 0 | 110.1 | P108 Q109 C110 P117 G120 C134 | P108-L122 HydrophobicContact CB-CD2 4.26Å; P108-L122 WeakPolarHBondContact O-CD2 3.45Å; Q109-L122 VanDerWaalsContact C-CD2 3.46Å; C110-L122 HydrophobicContact CB-CD2 4.49Å; P117-L122 HydrophobicContact CB-CD1 3.6Å; P117-L122 HydrophobicContact CG-CD1 4.44Å; G120-L122 PolarHBondContact O-N 3.48Å; L122-C134 HydrophobicContact CD2-CB 3.74Å |
| 123 | L | 89.4 | Confident | 86.5 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 151.1 | -178.4 | -61.7 | 160.6 | 0 | 0 | 0 | 109.6 | P125 C134 T135 Q137 V261 N263 | L123-P125 VanDerWaalsContact O-CD 3.28Å; L123-P125 WeakPolarHBondContact O-CD 3.25Å; L123-C134 CarbonylContact O-C 3.6Å; L123-C134 WeakPolarHBondContact O-CA 3.49Å; L123-T135 WeakPolarHBondContact CB-O 3.24Å; L123-T135 PolarHBondContact N-O 2.85Å; L123-T135 PolarHBondContact O-N 2.94Å; L123-Q137 HydrophobicContact CD1-CB 3.59Å; L123-Q137 HydrophobicContact CD1-CG 4.12Å; L123-V261 HydrophobicContact CD1-CB 4.16Å; L123-N263 WeakPolarHBondContact CA-OD1 3.43Å; L123-N263 WeakPolarHBondContact CB-OD1 3.26Å; L123-N263 VanDerWaalsContact CD2-OD1 3.3Å; L123-N263 WeakPolarHBondContact CD2-OD1 3.49Å |
| 124 | S | 90.9 | Very high | 86.4 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | trans | -109 | 81.6 | 171.8 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | C126 R133 N263 Y264 | S124-C126 VanDerWaalsContact C-N 3.29Å; S124-C126 PolarHBondContact O-N 3.43Å; S124-R133 WeakPolarHBondContact CA-O 3.41Å; S124-N263 PolarHBondContact N-OD1 3.24Å; S124-Y264 WeakPolarHBondContact O-CB 3.14Å; S124-Y264 PolarHBondContact O-N 3.42Å | ||
| 125 | P | 90.8 | Very high | 86.5 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | trans | -82.2 | -0.5 | -167.9 | 37.2 | -41.9 | 0 | 0 | 0 | 114.4 | L123 R133 T135 L140 Y159 V261 | L123-P125 VanDerWaalsContact O-CD 3.28Å; L123-P125 WeakPolarHBondContact O-CD 3.25Å; P125-R133 VanDerWaalsContact CD-O 3.3Å; P125-R133 WeakPolarHBondContact CD-O 3.4Å; P125-T135 WeakPolarHBondContact CD-OG1 3.23Å; P125-T135 WeakPolarHBondContact CG-OG1 3.31Å; P125-L140 HydrophobicContact CB-CD2 3.55Å; P125-L140 HydrophobicContact CG-CD1 4.3Å; P125-L140 HydrophobicContact CG-CD2 3.66Å; P125-Y159 HydrophobicContact CB-CD1 3.84Å; P125-Y159 HydrophobicContact CB-CE1 4.21Å; P125-Y159 HydrophobicContact CG-CD1 4.11Å; P125-Y159 HydrophobicContact CG-CE1 3.95Å; P125-V261 HydrophobicContact CB-CG1 3.72Å | ||
| 126 | C | 91.8 | Very high | 86.7 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -148.2 | 178.9 | -172.9 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | S124 C128 C152 F157 Y159 | S124-C126 VanDerWaalsContact C-N 3.29Å; S124-C126 PolarHBondContact O-N 3.43Å; C126-C128 VanDerWaalsContact C-N 3.28Å; C126-C128 PolarHBondContact O-N 2.85Å; C126-C152 HydrophobicContact CB-CB 3.98Å; C126-F157 HydrophobicContact CB-CB 4.4Å; C126-F157 HydrophobicContact CB-CD1 4.34Å; C126-Y159 HydrophobicContact CB-CD1 4.4Å; C126-Y159 HydrophobicContact CB-CE1 3.99Å |
| 127 | R | 90.1 | Very high | 86.9 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -76.4 | -8.5 | -175.7 | -69.3 | 176.6 | -177 | -117.9 | -7.1 | 114.8 | C155 F157 Y264 K266 D269 | R127-C155 HydrophobicContact CB-CB 4.17Å; R127-F157 HydrophobicContact CG-CB 4.18Å; R127-F157 HydrophobicContact CG-CD2 4.01Å; R127-F157 HydrophobicContact CG-CG 4.04Å; R127-Y264 HydrophobicContact CB-CE1 4.35Å; R127-Y264 HydrophobicContact CG-CD1 4.1Å; R127-Y264 HydrophobicContact CG-CE1 3.5Å; R127-Y264 HydrophobicContact CG-CE2 4.13Å; R127-Y264 PolarHBondContact NE-OH 3.34Å; R127-Y264 VanDerWaalsContact NE-OH 3.15Å; R127-Y264 PolarHBondContact NH2-OH 2.86Å; R127-K266 PolarHBondContact O-NZ 2.85Å; R127-D269 IonicContact CZ-OD1 3.72Å; R127-D269 IonicContact CZ-OD2 3.68Å; R127-D269 VanDerWaalsContact CZ-OD2 3.23Å; R127-D269 IonicContact NE-OD2 2.67Å; R127-D269 IonicContact NH1-OD1 3.48Å; R127-D269 PolarHBondContact NH1-OD1 3.32Å; R127-D269 VanDerWaalsContact NH1-OD1 3.1Å; R127-D269 IonicContact NH1-OD2 3.22Å; R127-D269 PolarHBondContact NH1-OD2 2.87Å; R127-D269 IonicContact NH2-OD1 3.23Å; R127-D269 PolarHBondContact NH2-OD1 3.26Å; R127-D269 IonicContact NH2-OD2 2.8Å; R127-D269 PolarHBondContact NH2-OD2 3.33Å |
| 128 | C | 90.3 | Very high | 87.3 | Confident | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.081 | 32% | 0.317 | C | S | . | . | trans | -58.3 | 156.6 | -176.9 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | C126 V132 R133 | C126-C128 VanDerWaalsContact C-N 3.28Å; C126-C128 PolarHBondContact O-N 2.85Å; C128-V132 HydrophobicContact CB-CG2 4.01Å; C128-R133 HydrophobicContact CB-CB 4.2Å; C128-R133 VanDerWaalsContact O-CB 3.25Å; C128-R133 WeakPolarHBondContact O-CB 3.27Å | ||
| 129 | D | 87.1 | Confident | 87.9 | Confident | 102 Ų | 102 | 51.1 Ų | 51.1 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | trans | -112.6 | 161.9 | -179 | -84.3 | -61 | 0 | 0 | 0 | 113 | V132 K266 | D129-V132 WeakPolarHBondContact O-CG2 3.48Å; D129-K266 IonicContact OD1-NZ 2.84Å; D129-K266 PolarHBondContact OD1-NZ 3.12Å; D129-K266 IonicContact OD2-NZ 3.75Å; D129-K266 PolarHBondContact OD2-NZ 3.35Å | ||
| 130 | G | 85.8 | Confident | 88.8 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | 69.5 | -150.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V132 R133 | G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 3.03Å; G130-R133 WeakPolarHBondContact O-CD 3.41Å; G130-R133 VanDerWaalsContact O-CG 3.26Å; G130-R133 WeakPolarHBondContact O-CG 3.37Å; G130-R133 PolarHBondContact O-NE 3Å |
| 131 | S | 83.2 | Confident | 89.2 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 61% | 0.608 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -69.5 | -26.9 | -177.9 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | R133 C134 | S131-R133 PolarHBondContact O-N 3.37Å; S131-R133 VanDerWaalsContact O-N 3.12Å; S131-C134 PolarHBondContact O-N 2.8Å; S131-C134 VanDerWaalsContact O-N 3.16Å |
| 132 | V | 85.9 | Confident | 89.5 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 38% | 0.376 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -70.3 | -7.9 | -177.1 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | R111 C128 D129 G130 L154 | R111-V132 WeakPolarHBondContact CD-O 3.45Å; C128-V132 HydrophobicContact CB-CG2 4.01Å; D129-V132 WeakPolarHBondContact O-CG2 3.48Å; G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 3.03Å; V132-L154 HydrophobicContact CB-CD1 4.46Å; V132-L154 HydrophobicContact CG2-CD1 4.49Å |
| 133 | R | 88.6 | Confident | 89.6 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -84.3 | -21 | 174.6 | 80.3 | -165 | 169.6 | 171.5 | -1.4 | 112.8 | S124 P125 C128 G130 S131 | S124-R133 WeakPolarHBondContact CA-O 3.41Å; P125-R133 VanDerWaalsContact CD-O 3.3Å; P125-R133 WeakPolarHBondContact CD-O 3.4Å; C128-R133 HydrophobicContact CB-CB 4.2Å; C128-R133 VanDerWaalsContact O-CB 3.25Å; C128-R133 WeakPolarHBondContact O-CB 3.27Å; G130-R133 WeakPolarHBondContact O-CD 3.41Å; G130-R133 VanDerWaalsContact O-CG 3.26Å; G130-R133 WeakPolarHBondContact O-CG 3.37Å; G130-R133 PolarHBondContact O-NE 3Å; S131-R133 PolarHBondContact O-N 3.37Å; S131-R133 VanDerWaalsContact O-N 3.12Å |
| 134 | C | 89.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | trans | -87.2 | 124.6 | -170.8 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | Q109 C110 R111 L122 L123 S131 | Q109-C134 WeakPolarHBondContact O-CB 3.19Å; C110-C134 WeakPolarHBondContact CA-O 3.46Å; R111-C134 PolarHBondContact N-O 3.44Å; L122-C134 HydrophobicContact CD2-CB 3.74Å; L123-C134 CarbonylContact O-C 3.6Å; L123-C134 WeakPolarHBondContact O-CA 3.49Å; S131-C134 PolarHBondContact O-N 2.8Å; S131-C134 VanDerWaalsContact O-N 3.16Å | ||
| 135 | T | 92.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.1 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | R111 I112 L123 P125 | R111-T135 HydrophobicContact CG-CG2 3.66Å; I112-T135 HydrophobicContact CD1-CG2 3.88Å; I112-T135 HydrophobicContact CG1-CG2 4.19Å; L123-T135 WeakPolarHBondContact CB-O 3.24Å; L123-T135 PolarHBondContact N-O 2.85Å; L123-T135 PolarHBondContact O-N 2.94Å; P125-T135 WeakPolarHBondContact CD-OG1 3.23Å; P125-T135 WeakPolarHBondContact CG-OG1 3.31Å |
| 136 | H | 92.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.023 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 147.6 | 166 | -56.6 | 119.3 | 0 | 0 | 0 | 111.1 | C110 C113 G116 G120 P138 C139 L140 | C110-H136 WeakPolarHBondContact CB-CE1 3.4Å; C110-H136 VanDerWaalsContact CB-ND1 3.27Å; C110-H136 WeakPolarHBondContact CB-ND1 3.1Å; C110-H136 PolarHBondContact SG-N 2.66Å; C110-H136 VanDerWaalsContact SG-N 3.4Å; C110-H136 PolarHBondContact SG-ND1 3.36Å; C110-H136 VanDerWaalsContact SG-ND1 3.38Å; C113-H136 VanDerWaalsContact SG-CE1 3.58Å; C113-H136 PolarHBondContact SG-ND1 2.83Å; G116-H136 PolarHBondContact O-CE1 3.4Å; G116-H136 PolarHBondContact O-NE2 3.31Å; G120-H136 PolarHBondContact O-CD2 3.44Å; G120-H136 VanDerWaalsContact O-CD2 3.25Å; G120-H136 PolarHBondContact O-NE2 2.65Å; H136-P138 HydrophobicContact CB-CG 4.2Å; H136-C139 HydrophobicContact CB-CB 4.13Å; H136-C139 PolarHBondContact O-N 3.49Å; H136-L140 PolarHBondContact O-N 2.76Å |
| 137 | Q | 90.1 | Very high | 89.4 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -51.8 | -53.4 | 173.9 | -167.1 | 172 | -50.7 | 0 | 0 | 113.6 | L123 C139 L140 I141 W259 V261 | L123-Q137 HydrophobicContact CD1-CB 3.59Å; L123-Q137 HydrophobicContact CD1-CG 4.12Å; Q137-C139 VanDerWaalsContact C-N 3.34Å; Q137-C139 PolarHBondContact O-N 2.73Å; Q137-L140 PolarHBondContact O-N 2.67Å; Q137-I141 WeakPolarHBondContact O-CG1 3.5Å; Q137-I141 PolarHBondContact O-N 3.2Å; Q137-I141 VanDerWaalsContact O-N 3.1Å; Q137-W259 PolarHBondContact NE2-O 3.35Å; Q137-V261 HydrophobicContact CG-CB 4.32Å; Q137-V261 HydrophobicContact CG-CG2 3.95Å |
| 138 | P | 89.4 | Confident | 89.3 | Confident | 93 Ų | 93 | 60 Ų | 60 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 179.8 | 24.6 | -35.9 | 0 | 0 | 0 | 113 | H136 I141 R142 | H136-P138 HydrophobicContact CB-CG 4.2Å; P138-I141 PolarHBondContact O-N 3.34Å; P138-R142 WeakPolarHBondContact O-CB 3.39Å; P138-R142 PolarHBondContact O-N 3.3Å |
| 139 | C | 90.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 62 Ų | 62 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 178.1 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | I112 H136 Q137 R142 W143 | I112-C139 HydrophobicContact CB-CB 4.09Å; I112-C139 HydrophobicContact CD1-CB 3.84Å; I112-C139 HydrophobicContact CG2-CB 4.21Å; H136-C139 HydrophobicContact CB-CB 4.13Å; H136-C139 PolarHBondContact O-N 3.49Å; Q137-C139 VanDerWaalsContact C-N 3.34Å; Q137-C139 PolarHBondContact O-N 2.73Å; C139-R142 PolarHBondContact O-N 3.4Å; C139-W143 WeakPolarHBondContact O-CB 2.96Å; C139-W143 PolarHBondContact O-N 3.49Å |
| 140 | L | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 178.5 | -174.8 | 70.4 | 0 | 0 | 0 | 112 | P125 H136 Q137 R142 W143 I144 Y159 V261 | P125-L140 HydrophobicContact CB-CD2 3.55Å; P125-L140 HydrophobicContact CG-CD1 4.3Å; P125-L140 HydrophobicContact CG-CD2 3.66Å; H136-L140 PolarHBondContact O-N 2.76Å; Q137-L140 PolarHBondContact O-N 2.67Å; L140-R142 VanDerWaalsContact C-N 3.35Å; L140-R142 PolarHBondContact O-N 3.21Å; L140-W143 WeakPolarHBondContact O-CB 3.37Å; L140-W143 PolarHBondContact O-N 3.01Å; L140-I144 HydrophobicContact CD1-CD1 4.4Å; L140-I144 HydrophobicContact CD2-CD1 4.3Å; L140-I144 HydrophobicContact CG-CD1 3.88Å; L140-I144 HydrophobicContact CG-CG1 4.39Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.42Å; L140-I144 PolarHBondContact O-N 3.34Å; L140-Y159 HydrophobicContact CD1-CD1 4.41Å; L140-Y159 HydrophobicContact CD1-CE1 3.93Å; L140-Y159 HydrophobicContact CD1-CE2 4.14Å; L140-Y159 HydrophobicContact CD2-CD1 4.24Å; L140-Y159 HydrophobicContact CD2-CE1 4.49Å; L140-Y159 HydrophobicContact CD2-CG 4.45Å; L140-V261 HydrophobicContact CD2-CB 4.33Å; L140-V261 HydrophobicContact CD2-CG1 3.49Å; L140-V261 VanDerWaalsContact CD2-CG1 3.49Å; L140-V261 HydrophobicContact CD2-CG2 3.96Å |
| 141 | I | 89.7 | Confident | 89.7 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.205 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.7 | -64.6 | -62.8 | 0 | 0 | 0 | 110.8 | Q137 P138 I144 S145 V161 W259 V261 | Q137-I141 WeakPolarHBondContact O-CG1 3.5Å; Q137-I141 PolarHBondContact O-N 3.2Å; Q137-I141 VanDerWaalsContact O-N 3.1Å; P138-I141 PolarHBondContact O-N 3.34Å; I141-I144 PolarHBondContact O-N 2.8Å; I141-S145 WeakPolarHBondContact O-CB 3.41Å; I141-S145 PolarHBondContact O-N 3.4Å; I141-V161 HydrophobicContact CD1-CG1 3.69Å; I141-V161 HydrophobicContact CD1-CG2 4.29Å; I141-W259 HydrophobicContact CD1-CB 4.25Å; I141-V261 HydrophobicContact CD1-CG2 3.69Å; I141-V261 HydrophobicContact CG1-CG2 4.07Å |
| 142 | R | 90 | Very high | 90.1 | Very high | 169 Ų | 169 | 55.8 Ų | 55.8 | 64% | 0.638 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.4 | -47.4 | 173.3 | 176.1 | 177.9 | -89.2 | 146.1 | -7.8 | 111.1 | P138 C139 L140 I144 S145 E146 | P138-R142 WeakPolarHBondContact O-CB 3.39Å; P138-R142 PolarHBondContact O-N 3.3Å; C139-R142 PolarHBondContact O-N 3.4Å; L140-R142 VanDerWaalsContact C-N 3.35Å; L140-R142 PolarHBondContact O-N 3.21Å; R142-I144 PolarHBondContact O-N 2.91Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.92Å; R142-S145 VanDerWaalsContact O-N 3.15Å; R142-E146 VanDerWaalsContact CD-OE1 3.3Å; R142-E146 WeakPolarHBondContact CD-OE1 3.26Å; R142-E146 HydrophobicContact CG-CG 4.33Å; R142-E146 WeakPolarHBondContact CG-OE1 3.38Å; R142-E146 WeakPolarHBondContact O-CG 3.33Å; R142-E146 PolarHBondContact O-N 3.42Å |
| 143 | W | 91.4 | Very high | 90.4 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 178.4 | -179.2 | -99.9 | 0 | 0 | 0 | 113.4 | I112 C139 L140 S145 E146 R147 E153 | I112-W143 HydrophobicContact CD1-CB 3.97Å; I112-W143 HydrophobicContact CD1-CG 4.33Å; C139-W143 WeakPolarHBondContact O-CB 2.96Å; C139-W143 PolarHBondContact O-N 3.49Å; L140-W143 WeakPolarHBondContact O-CB 3.37Å; L140-W143 PolarHBondContact O-N 3.01Å; W143-S145 VanDerWaalsContact C-N 3.27Å; W143-S145 PolarHBondContact O-N 3.14Å; W143-E146 PolarHBondContact O-N 2.93Å; W143-R147 HydrophobicContact CD2-CG 4Å; W143-R147 HydrophobicContact CG-CG 4.39Å; W143-R147 HydrophobicContact CZ2-CG 3.94Å; W143-R147 WeakPolarHBondContact O-CB 3.38Å; W143-R147 WeakPolarHBondContact O-CG 3.26Å; W143-R147 PolarHBondContact O-N 3.03Å; W143-E153 WeakPolarHBondContact CZ2-OE1 3.36Å; W143-E153 WeakPolarHBondContact CZ2-OE2 3.32Å |
| 144 | I | 91.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 176.1 | -70.1 | 166.6 | 0 | 0 | 0 | 110.3 | L140 I141 R142 G148 S149 W150 Y159 V161 | L140-I144 HydrophobicContact CD1-CD1 4.4Å; L140-I144 HydrophobicContact CD2-CD1 4.3Å; L140-I144 HydrophobicContact CG-CD1 3.88Å; L140-I144 HydrophobicContact CG-CG1 4.39Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.42Å; L140-I144 PolarHBondContact O-N 3.34Å; I141-I144 PolarHBondContact O-N 2.8Å; R142-I144 PolarHBondContact O-N 2.91Å; I144-G148 WeakPolarHBondContact O-CA 3.21Å; I144-G148 PolarHBondContact O-N 2.71Å; I144-S149 PolarHBondContact O-N 2.88Å; I144-W150 HydrophobicContact CD1-CE3 4.31Å; I144-W150 HydrophobicContact CG2-CD2 3.71Å; I144-W150 HydrophobicContact CG2-CE3 3.74Å; I144-W150 HydrophobicContact CG2-CG 4.22Å; I144-W150 HydrophobicContact CG2-CH2 4.31Å; I144-W150 HydrophobicContact CG2-CZ2 4.3Å; I144-W150 HydrophobicContact CG2-CZ3 4.04Å; I144-Y159 HydrophobicContact CD1-CD2 3.58Å; I144-Y159 HydrophobicContact CD1-CE2 4.23Å; I144-Y159 HydrophobicContact CD1-CG 4.11Å; I144-Y159 HydrophobicContact CG1-CD2 3.77Å; I144-Y159 HydrophobicContact CG1-CE2 3.99Å; I144-V161 HydrophobicContact CD1-CG2 4.18Å |
| 145 | S | 87.9 | Confident | 90.6 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | I141 R142 W143 V343 | I141-S145 WeakPolarHBondContact O-CB 3.41Å; I141-S145 PolarHBondContact O-N 3.4Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.92Å; R142-S145 VanDerWaalsContact O-N 3.15Å; W143-S145 VanDerWaalsContact C-N 3.27Å; W143-S145 PolarHBondContact O-N 3.14Å; S145-V343 WeakPolarHBondContact OG-CG2 3.47Å |
| 146 | E | 90.3 | Very high | 90.6 | Very high | 133 Ų | 133 | 66.6 Ų | 66.6 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.3 | -42.2 | -180 | -73.4 | 168.9 | -174.6 | 0 | 0 | 111.6 | R142 W143 | R142-E146 VanDerWaalsContact CD-OE1 3.3Å; R142-E146 WeakPolarHBondContact CD-OE1 3.26Å; R142-E146 HydrophobicContact CG-CG 4.33Å; R142-E146 WeakPolarHBondContact CG-OE1 3.38Å; R142-E146 WeakPolarHBondContact O-CG 3.33Å; R142-E146 PolarHBondContact O-N 3.42Å; W143-E146 PolarHBondContact O-N 2.93Å |
| 147 | R | 89.6 | Confident | 90.4 | Very high | 146 Ų | 146 | 68.1 Ų | 68.1 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -76.8 | -22.7 | 178 | -68 | -64.4 | -133 | 175.1 | 5.7 | 113.4 | W143 S149 E153 | W143-R147 HydrophobicContact CD2-CG 4Å; W143-R147 HydrophobicContact CG-CG 4.39Å; W143-R147 HydrophobicContact CZ2-CG 3.94Å; W143-R147 WeakPolarHBondContact O-CB 3.38Å; W143-R147 WeakPolarHBondContact O-CG 3.26Å; W143-R147 PolarHBondContact O-N 3.03Å; R147-S149 PolarHBondContact O-N 3.41Å; R147-E153 IonicContact CZ-OE2 3.95Å; R147-E153 IonicContact NE-OE2 2.86Å; R147-E153 IonicContact NH2-OE2 2.58Å; R147-E153 PolarHBondContact NH2-OE2 2.67Å |
| 148 | G | 88.2 | Confident | 90.4 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 16.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I144 | I144-G148 WeakPolarHBondContact O-CA 3.21Å; I144-G148 PolarHBondContact O-N 2.71Å |
| 149 | S | 89.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 67.3 Ų | 67.3 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | trans | -122.1 | 128.7 | -177.5 | 180 | 0 | 0 | 0 | 0 | 111.3 | I144 R147 S151 | I144-S149 PolarHBondContact O-N 2.88Å; R147-S149 PolarHBondContact O-N 3.41Å; S149-S151 PolarHBondContact O-N 2.88Å; S149-S151 PolarHBondContact OG-N 2.83Å; S149-S151 PolarHBondContact OG-O 3.16Å | ||
| 150 | W | 89.4 | Confident | 90.2 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -87.5 | 11 | 175.4 | -63.8 | 88.9 | 0 | 0 | 0 | 113 | I144 Y159 V161 | I144-W150 HydrophobicContact CD1-CE3 4.31Å; I144-W150 HydrophobicContact CG2-CD2 3.71Å; I144-W150 HydrophobicContact CG2-CE3 3.74Å; I144-W150 HydrophobicContact CG2-CG 4.22Å; I144-W150 HydrophobicContact CG2-CH2 4.31Å; I144-W150 HydrophobicContact CG2-CZ2 4.3Å; I144-W150 HydrophobicContact CG2-CZ3 4.04Å; W150-Y159 VanDerWaalsContact O-CD2 3.27Å; W150-Y159 WeakPolarHBondContact O-CD2 3.2Å; W150-Y159 PolarHBondContact O-N 2.88Å; W150-V161 HydrophobicContact CE3-CB 4.37Å; W150-V161 HydrophobicContact CE3-CG2 4.07Å; W150-V161 HydrophobicContact CZ3-CB 3.81Å; W150-V161 HydrophobicContact CZ3-CG1 4.16Å; W150-V161 HydrophobicContact CZ3-CG2 3.81Å |
| 151 | S | 92.2 | Very high | 89.9 | Confident | 44 Ų | 44 | 71 Ų | 71 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -119.3 | 146.6 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 111 | S149 F157 Y159 | S149-S151 PolarHBondContact O-N 2.88Å; S149-S151 PolarHBondContact OG-N 2.83Å; S149-S151 PolarHBondContact OG-O 3.16Å; S151-F157 WeakPolarHBondContact CA-O 3.43Å; S151-Y159 VanDerWaalsContact C-CE2 3.49Å |
| 152 | C | 92.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | trans | -64.7 | 135.3 | 174.1 | -176 | 0 | 0 | 0 | 0 | 111 | C126 L154 C155 Y156 F157 Y159 | C126-C152 HydrophobicContact CB-CB 3.98Å; C152-L154 VanDerWaalsContact C-N 3.28Å; C152-L154 PolarHBondContact O-N 3.36Å; C152-C155 VanDerWaalsContact SG-SG 3.61Å; C152-Y156 WeakPolarHBondContact O-CA 3.4Å; C152-Y156 PolarHBondContact O-N 2.96Å; C152-F157 PolarHBondContact N-O 3.42Å; C152-Y159 WeakPolarHBondContact CA-OH 3.39Å; C152-Y159 HydrophobicContact CB-CE1 3.92Å | ||
| 153 | E | 92.4 | Very high | 88.9 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 35% | 0.346 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15.3 | 180 | 71.9 | -153.9 | 140.9 | 0 | 0 | 114.4 | R111 W143 R147 | R111-E153 IonicContact NH1-OE1 3.5Å; R111-E153 IonicContact NH2-OE1 3.91Å; W143-E153 WeakPolarHBondContact CZ2-OE1 3.36Å; W143-E153 WeakPolarHBondContact CZ2-OE2 3.32Å; R147-E153 IonicContact CZ-OE2 3.95Å; R147-E153 IonicContact NE-OE2 2.86Å; R147-E153 IonicContact NH2-OE2 2.58Å; R147-E153 PolarHBondContact NH2-OE2 2.67Å |
| 154 | L | 91.9 | Very high | 88.1 | Confident | 101 Ų | 101 | 69.5 Ų | 69.5 | 53% | 0.529 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -54.6 | -177.2 | -64 | 167.2 | 0 | 0 | 0 | 111.3 | V132 C152 | V132-L154 HydrophobicContact CB-CD1 4.46Å; V132-L154 HydrophobicContact CG2-CD1 4.49Å; C152-L154 VanDerWaalsContact C-N 3.28Å; C152-L154 PolarHBondContact O-N 3.36Å |
| 155 | C | 90.5 | Very high | 87 | Confident | 42 Ų | 42 | 72.4 Ų | 72.4 | 28% | 0.284 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 1.4 | -176.2 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | R127 C152 F157 | R127-C155 HydrophobicContact CB-CB 4.17Å; C152-C155 VanDerWaalsContact SG-SG 3.61Å; C155-F157 PolarHBondContact O-N 2.86Å |
| 156 | Y | 90.3 | Very high | 86.4 | Confident | 185 Ų | 185 | 73.7 Ų | 73.7 | 73% | 0.725 | 39% | 0.386 | S | S | * | . | trans | 56.2 | 9.8 | -179.2 | -59.8 | -79.3 | 0 | 0 | 0 | 115.8 | C152 | C152-Y156 WeakPolarHBondContact O-CA 3.4Å; C152-Y156 PolarHBondContact O-N 2.96Å | ||
| 157 | F | 89.5 | Confident | 85.7 | Confident | 37 Ų | 37 | 70 Ų | 70 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 132.2 | 177.1 | -172.7 | -101.4 | 0 | 0 | 0 | 111.1 | C126 R127 S151 C152 C155 Y159 Y264 | C126-F157 HydrophobicContact CB-CB 4.4Å; C126-F157 HydrophobicContact CB-CD1 4.34Å; R127-F157 HydrophobicContact CG-CB 4.18Å; R127-F157 HydrophobicContact CG-CD2 4.01Å; R127-F157 HydrophobicContact CG-CG 4.04Å; S151-F157 WeakPolarHBondContact CA-O 3.43Å; C152-F157 PolarHBondContact N-O 3.42Å; C155-F157 PolarHBondContact O-N 2.86Å; F157-Y159 PolarHBondContact O-N 3.23Å; F157-Y264 HydrophobicContact CD1-CD2 4.09Å; F157-Y264 HydrophobicContact CD1-CE2 4.41Å; F157-Y264 HydrophobicContact CD2-CE2 4.3Å; F157-Y264 AromaticContact CE1-CD2 3.37Å; F157-Y264 HydrophobicContact CE1-CD2 3.37Å; F157-Y264 AromaticContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CG 4.34Å; F157-Y264 HydrophobicContact CE2-CD2 4.14Å; F157-Y264 AromaticContact CE2-CE2 3.59Å; F157-Y264 HydrophobicContact CE2-CE2 3.59Å; F157-Y264 AromaticContact CZ-CD2 3.41Å; F157-Y264 HydrophobicContact CZ-CD2 3.41Å; F157-Y264 VanDerWaalsContact CZ-CD2 3.41Å; F157-Y264 AromaticContact CZ-CE2 3.26Å; F157-Y264 HydrophobicContact CZ-CE2 3.26Å |
| 158 | K | 90 | Very high | 85.1 | Confident | 130 Ų | 130 | 68.5 Ų | 68.5 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -72.3 | 122.3 | 177.4 | -173.5 | 167.9 | -176 | 157.2 | 0 | 110.7 | Q160 | K158-Q160 PolarHBondContact O-N 3.38Å |
| 159 | Y | 90.2 | Very high | 84.4 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 134.8 | 177.4 | -59.8 | -58.5 | 0 | 0 | 0 | 111 | R111 P125 C126 L140 I144 W150 S151 C152 F157 V161 | R111-Y159 PolarHBondContact NH2-OH 3.2Å; P125-Y159 HydrophobicContact CB-CD1 3.84Å; P125-Y159 HydrophobicContact CB-CE1 4.21Å; P125-Y159 HydrophobicContact CG-CD1 4.11Å; P125-Y159 HydrophobicContact CG-CE1 3.95Å; C126-Y159 HydrophobicContact CB-CD1 4.4Å; C126-Y159 HydrophobicContact CB-CE1 3.99Å; L140-Y159 HydrophobicContact CD1-CD1 4.41Å; L140-Y159 HydrophobicContact CD1-CE1 3.93Å; L140-Y159 HydrophobicContact CD1-CE2 4.14Å; L140-Y159 HydrophobicContact CD2-CD1 4.24Å; L140-Y159 HydrophobicContact CD2-CE1 4.49Å; L140-Y159 HydrophobicContact CD2-CG 4.45Å; I144-Y159 HydrophobicContact CD1-CD2 3.58Å; I144-Y159 HydrophobicContact CD1-CE2 4.23Å; I144-Y159 HydrophobicContact CD1-CG 4.11Å; I144-Y159 HydrophobicContact CG1-CD2 3.77Å; I144-Y159 HydrophobicContact CG1-CE2 3.99Å; W150-Y159 VanDerWaalsContact O-CD2 3.27Å; W150-Y159 WeakPolarHBondContact O-CD2 3.2Å; W150-Y159 PolarHBondContact O-N 2.88Å; S151-Y159 VanDerWaalsContact C-CE2 3.49Å; C152-Y159 WeakPolarHBondContact CA-OH 3.39Å; C152-Y159 HydrophobicContact CB-CE1 3.92Å; F157-Y159 PolarHBondContact O-N 3.23Å; Y159-V161 PolarHBondContact O-N 3.3Å |
| 160 | Q | 85.8 | Confident | 83.4 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | trans | -90 | 93.4 | 175.7 | -71.6 | 175.4 | 54.9 | 0 | 0 | 109.6 | K158 L262 | K158-Q160 PolarHBondContact O-N 3.38Å; Q160-L262 HydrophobicContact CB-CB 3.96Å; Q160-L262 PolarHBondContact O-N 3.4Å | ||
| 161 | V | 85.7 | Confident | 82.9 | Confident | 27 Ų | 27 | 78.4 Ų | 78.4 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.5 | 176.9 | -169 | 0 | 0 | 0 | 0 | 109 | I141 I144 W150 Y159 W259 V261 | I141-V161 HydrophobicContact CD1-CG1 3.69Å; I141-V161 HydrophobicContact CD1-CG2 4.29Å; I144-V161 HydrophobicContact CD1-CG2 4.18Å; W150-V161 HydrophobicContact CE3-CB 4.37Å; W150-V161 HydrophobicContact CE3-CG2 4.07Å; W150-V161 HydrophobicContact CZ3-CB 3.81Å; W150-V161 HydrophobicContact CZ3-CG1 4.16Å; W150-V161 HydrophobicContact CZ3-CG2 3.81Å; Y159-V161 PolarHBondContact O-N 3.3Å; V161-W259 HydrophobicContact CG1-CB 4.03Å; V161-W259 HydrophobicContact CG1-CE3 3.93Å; V161-V261 HydrophobicContact CG1-CG2 4.42Å; V161-V261 HydrophobicContact CG2-CG2 4.17Å |
| 162 | L | 80.8 | Confident | 82.4 | Confident | 89 Ų | 89 | 82 Ų | 82 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.8 | 179.1 | -77.5 | 124.7 | 0 | 0 | 0 | 110 | W259 K260 L262 | L162-W259 WeakPolarHBondContact O-CA 3.49Å; L162-K260 PolarHBondContact N-O 3.47Å; L162-K260 PolarHBondContact O-N 3.3Å; L162-L262 HydrophobicContact CB-CD1 4.39Å; L162-L262 HydrophobicContact CD1-CD1 3.3Å; L162-L262 HydrophobicContact CD1-CD2 3.51Å; L162-L262 HydrophobicContact CD1-CG 3.97Å; L162-L262 HydrophobicContact CG-CD1 4.44Å |
| 163 | A | 78.8 | Confident | 81.8 | Confident | 41 Ų | 41 | 87.1 Ų | 87.1 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 115.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109 | Q257 Q258 W259 | A163-Q257 HydrophobicContact CB-CG 3.76Å; A163-Q258 WeakPolarHBondContact CA-O 3.47Å; A163-W259 HydrophobicContact CB-CE3 3.97Å; A163-W259 HydrophobicContact CB-CH2 4.32Å; A163-W259 HydrophobicContact CB-CZ3 3.84Å |
| 164 | I | 73.8 | Confident | 81.2 | Confident | 109 Ų | 109 | 88.5 Ų | 88.5 | 56% | 0.559 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -50.4 | -174.2 | -52.7 | 159.8 | 0 | 0 | 0 | 111.4 | Q258 K260 | I164-Q258 PolarHBondContact N-O 3.1Å; I164-Q258 VanDerWaalsContact N-O 3.09Å; I164-K260 HydrophobicContact CD1-CB 3.1Å; I164-K260 HydrophobicContact CD1-CD 3.59Å; I164-K260 HydrophobicContact CD1-CG 3.96Å; I164-K260 HydrophobicContact CG1-CB 3.6Å; I164-K260 HydrophobicContact CG1-CD 4.39Å |
| 165 | S | 67.3 | Low | 80.9 | Confident | 66 Ų | 66 | 85.2 Ų | 85.2 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 163.8 | -174.8 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | Q258 | S165-Q258 WeakPolarHBondContact O-CB 3.44Å; S165-Q258 PolarHBondContact O-N 3.37Å |
| 166 | T | 76.1 | Confident | 80.5 | Confident | 63 Ų | 63 | 87.8 Ų | 87.8 | 39% | 0.387 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 142.8 | 163.4 | 47.8 | 0 | 0 | 0 | 0 | 109.4 | W252 | T166-W252 HydrophobicContact CG2-CH2 4.44Å |
| 167 | K | 75.5 | Confident | 80.3 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 24% | 0.243 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 155.8 | 171 | -68.7 | 172.4 | -176.9 | 166.2 | 0 | 110 | Q171 W172 V255 N256 Q258 | K167-Q171 HydrophobicContact CB-CB 4.3Å; K167-W172 PolarHBondContact O-NE1 3.45Å; K167-V255 PolarHBondContact NZ-O 3.38Å; K167-V255 VanDerWaalsContact NZ-O 3.1Å; K167-N256 WeakPolarHBondContact CG-O 3.43Å; K167-N256 PolarHBondContact N-O 3.09Å; K167-Q258 HydrophobicContact CB-CG 4.32Å; K167-Q258 HydrophobicContact CD-CG 4.45Å; K167-Q258 HydrophobicContact CG-CG 3.35Å |
| 168 | N | 75.9 | Confident | 80.4 | Confident | 114 Ų | 114 | 83.5 Ų | 83.5 | 61% | 0.61 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -53 | 144.6 | 168.8 | -73 | -59.6 | 0 | 0 | 0 | 110 | L170 Q171 | N168-L170 PolarHBondContact O-N 3.27Å; N168-L170 VanDerWaalsContact O-N 3.09Å; N168-Q171 WeakPolarHBondContact O-CA 3.22Å; N168-Q171 PolarHBondContact O-N 3.19Å |
| 169 | P | 73.9 | Confident | 80.4 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 59% | 0.591 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -56.8 | -30.5 | -175.7 | 21.5 | -32.9 | 0 | 0 | 0 | 113.3 | Q171 W172 | P169-Q171 PolarHBondContact O-N 2.98Å; P169-W172 HydrophobicContact CB-CD2 4.32Å; P169-W172 HydrophobicContact CB-CH2 4.43Å; P169-W172 HydrophobicContact CB-CZ2 4.2Å; P169-W172 WeakPolarHBondContact O-CB 3.26Å; P169-W172 PolarHBondContact O-N 3.21Å |
| 170 | L | 70.1 | Confident | 80.4 | Confident | 166 Ų | 166 | 88.1 Ų | 88.1 | 87% | 0.869 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -68.6 | -18.6 | 175.9 | -65.5 | 166.3 | 0 | 0 | 0 | 114.1 | N168 | N168-L170 PolarHBondContact O-N 3.27Å; N168-L170 VanDerWaalsContact O-N 3.09Å |
| 171 | Q | 76.9 | Confident | 80.7 | Confident | 129 Ų | 129 | 85.9 Ų | 85.9 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -107.7 | 10.7 | -177.7 | -64.2 | -70.3 | -39.8 | 0 | 0 | 111.7 | K167 N168 P169 Q173 | K167-Q171 HydrophobicContact CB-CB 4.3Å; N168-Q171 WeakPolarHBondContact O-CA 3.22Å; N168-Q171 PolarHBondContact O-N 3.19Å; P169-Q171 PolarHBondContact O-N 2.98Å; Q171-Q173 PolarHBondContact O-N 2.98Å |
| 172 | W | 82.3 | Confident | 80.9 | Confident | 118 Ų | 118 | 90.5 Ų | 90.5 | 45% | 0.447 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 127.7 | 179.1 | -73.1 | -0.3 | 0 | 0 | 0 | 110.7 | K167 P169 W252 N256 | K167-W172 PolarHBondContact O-NE1 3.45Å; P169-W172 HydrophobicContact CB-CD2 4.32Å; P169-W172 HydrophobicContact CB-CH2 4.43Å; P169-W172 HydrophobicContact CB-CZ2 4.2Å; P169-W172 WeakPolarHBondContact O-CB 3.26Å; P169-W172 PolarHBondContact O-N 3.21Å; W172-W252 HydrophobicContact CD2-CH2 4.34Å; W172-W252 AromaticContact CD2-CZ2 3.59Å; W172-W252 HydrophobicContact CD2-CZ2 3.59Å; W172-W252 AromaticContact CE2-CZ2 3.73Å; W172-W252 AromaticContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CG-CZ2 4.13Å; W172-W252 HydrophobicContact CH2-CH2 4.18Å; W172-W252 HydrophobicContact CH2-CZ2 4.12Å; W172-W252 AromaticContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CZ2 4.02Å; W172-W252 HydrophobicContact CZ3-CH2 4.47Å; W172-W252 AromaticContact CZ3-CZ2 3.98Å; W172-W252 HydrophobicContact CZ3-CZ2 3.98Å; W172-N256 WeakPolarHBondContact CA-OD1 3.5Å |
| 173 | Q | 80.6 | Confident | 81.5 | Confident | 109 Ų | 109 | 90.7 Ų | 90.7 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 121.2 | 171.4 | -63.7 | -66.8 | -75 | 0 | 0 | 108 | Q171 V255 N256 | Q171-Q173 PolarHBondContact O-N 2.98Å; Q173-V255 HydrophobicContact CB-CG1 3.82Å; Q173-V255 HydrophobicContact CG-CG1 4.43Å; Q173-N256 PolarHBondContact N-OD1 3.37Å; Q173-N256 PolarHBondContact O-ND2 3.31Å |
| 174 | A | 78.6 | Confident | 82.1 | Confident | 103 Ų | 103 | 91 Ų | 91 | 85% | 0.851 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 133.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 175 | I | 85.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 88.3 Ų | 88.3 | 17% | 0.169 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 142.5 | 172.6 | -144.9 | 153.7 | 0 | 0 | 0 | 108.8 | L177 R251 V255 | I175-L177 HydrophobicContact CG2-CD2 4.17Å; I175-L177 HydrophobicContact CG2-CG 4.26Å; I175-L177 PolarHBondContact O-N 3.34Å; I175-L177 VanDerWaalsContact O-N 3.08Å; I175-R251 HydrophobicContact CD1-CB 4.24Å; I175-R251 HydrophobicContact CD1-CG 3.52Å; I175-V255 HydrophobicContact CD1-CG2 3.91Å |
| 176 | S | 82.8 | Confident | 84.1 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | trans | -67.6 | 109.2 | 174.1 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 177 | L | 86.5 | Confident | 84.8 | Confident | 60 Ų | 60 | 87 Ų | 87 | 31% | 0.314 | 49% | 0.485 | S | S | . | . | trans | -90.4 | 130.5 | 174.8 | -68.4 | 165.7 | 0 | 0 | 0 | 109.6 | I175 E181 K182 I185 I248 | I175-L177 HydrophobicContact CG2-CD2 4.17Å; I175-L177 HydrophobicContact CG2-CG 4.26Å; I175-L177 PolarHBondContact O-N 3.34Å; I175-L177 VanDerWaalsContact O-N 3.08Å; L177-E181 HydrophobicContact CD2-CB 4.29Å; L177-K182 HydrophobicContact CB-CG 4.03Å; L177-K182 WeakPolarHBondContact O-CE 3.48Å; L177-I185 HydrophobicContact CD1-CD1 4.24Å; L177-I185 HydrophobicContact CD2-CD1 4.36Å; L177-I248 HydrophobicContact CD2-CG2 3.41Å; L177-I248 VanDerWaalsContact CD2-CG2 3.41Å | ||
| 178 | T | 91.1 | Very high | 85.7 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | trans | -67.2 | 158 | 171.6 | 64 | 0 | 0 | 0 | 0 | 110.7 | I180 E181 K182 | T178-I180 PolarHBondContact O-N 2.96Å; T178-E181 PolarHBondContact N-OE2 3.27Å; T178-E181 PolarHBondContact O-N 3.44Å; T178-E181 WeakPolarHBondContact OG1-CB 3.25Å; T178-E181 VanDerWaalsContact OG1-CD 3.24Å; T178-E181 WeakPolarHBondContact OG1-CG 3.3Å; T178-E181 PolarHBondContact OG1-N 2.98Å; T178-E181 PolarHBondContact OG1-OE2 3.08Å; T178-K182 WeakPolarHBondContact O-CG 3.2Å; T178-K182 PolarHBondContact O-N 3.29Å | ||
| 179 | V | 91 | Very high | 86.5 | Confident | 112 Ų | 112 | 83.9 Ų | 83.9 | 68% | 0.679 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.5 | -38.9 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 111 | K182 V183 | V179-K182 WeakPolarHBondContact O-CB 3.29Å; V179-K182 PolarHBondContact O-N 3.43Å; V179-V183 WeakPolarHBondContact O-CG2 3.48Å; V179-V183 PolarHBondContact O-N 2.93Å |
| 180 | I | 90.5 | Very high | 87.5 | Confident | 123 Ų | 123 | 85.2 Ų | 85.2 | 63% | 0.631 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 178.4 | -56.9 | 169.5 | 0 | 0 | 0 | 110.5 | T178 K182 V183 Q184 | T178-I180 PolarHBondContact O-N 2.96Å; I180-K182 VanDerWaalsContact C-N 3.29Å; I180-K182 PolarHBondContact O-N 3.38Å; I180-V183 PolarHBondContact O-N 3.14Å; I180-Q184 WeakPolarHBondContact O-CG 3.13Å; I180-Q184 PolarHBondContact O-N 2.87Å |
| 181 | E | 90.3 | Very high | 88.6 | Confident | 28 Ų | 28 | 78.2 Ų | 78.2 | 13% | 0.131 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 177.2 | -73.9 | 170.5 | 144.5 | 0 | 0 | 112.1 | L177 T178 Q184 I185 I248 | L177-E181 HydrophobicContact CD2-CB 4.29Å; T178-E181 PolarHBondContact N-OE2 3.27Å; T178-E181 PolarHBondContact O-N 3.44Å; T178-E181 WeakPolarHBondContact OG1-CB 3.25Å; T178-E181 VanDerWaalsContact OG1-CD 3.24Å; T178-E181 WeakPolarHBondContact OG1-CG 3.3Å; T178-E181 PolarHBondContact OG1-N 2.98Å; T178-E181 PolarHBondContact OG1-OE2 3.08Å; E181-Q184 PolarHBondContact O-N 2.88Å; E181-I185 WeakPolarHBondContact O-CD1 3.47Å; E181-I185 VanDerWaalsContact O-CG1 3.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.43Å; E181-I185 PolarHBondContact O-N 2.94Å; E181-I248 HydrophobicContact CB-CD1 3.64Å; E181-I248 HydrophobicContact CG-CD1 3.59Å; E181-I248 HydrophobicContact CG-CG1 4.06Å |
| 182 | K | 90.2 | Very high | 89.4 | Confident | 123 Ų | 123 | 74 Ų | 74 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.5 | -68.2 | 177.2 | -177.7 | -177.2 | 0 | 112 | L177 T178 V179 I180 Q184 I185 A186 | L177-K182 HydrophobicContact CB-CG 4.03Å; L177-K182 WeakPolarHBondContact O-CE 3.48Å; T178-K182 WeakPolarHBondContact O-CG 3.2Å; T178-K182 PolarHBondContact O-N 3.29Å; V179-K182 WeakPolarHBondContact O-CB 3.29Å; V179-K182 PolarHBondContact O-N 3.43Å; I180-K182 VanDerWaalsContact C-N 3.29Å; I180-K182 PolarHBondContact O-N 3.38Å; K182-Q184 VanDerWaalsContact C-N 3.33Å; K182-I185 PolarHBondContact O-N 3.02Å; K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.4Å |
| 183 | V | 93.6 | Very high | 90.1 | Very high | 94 Ų | 94 | 73.9 Ų | 73.9 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63 | -42 | 177.3 | 174 | 0 | 0 | 0 | 0 | 110.6 | V179 I180 I185 A186 A187 | V179-V183 WeakPolarHBondContact O-CG2 3.48Å; V179-V183 PolarHBondContact O-N 2.93Å; I180-V183 PolarHBondContact O-N 3.14Å; V183-I185 PolarHBondContact O-N 3.24Å; V183-A186 PolarHBondContact O-N 3.35Å; V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.35Å |
| 184 | Q | 91.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 73.5 Ų | 73.5 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176 | -72.7 | 178.3 | -31.6 | 0 | 0 | 112.3 | I180 E181 K182 A187 I188 S244 | I180-Q184 WeakPolarHBondContact O-CG 3.13Å; I180-Q184 PolarHBondContact O-N 2.87Å; E181-Q184 PolarHBondContact O-N 2.88Å; K182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-A187 PolarHBondContact O-N 2.68Å; Q184-I188 WeakPolarHBondContact O-CG1 3.4Å; Q184-I188 PolarHBondContact O-N 3.4Å; Q184-S244 PolarHBondContact OE1-OG 2.46Å |
| 185 | I | 90.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.8 | -68.3 | 164.3 | 0 | 0 | 0 | 110.4 | L177 E181 K182 V183 A187 I188 V189 V245 I248 | L177-I185 HydrophobicContact CD1-CD1 4.24Å; L177-I185 HydrophobicContact CD2-CD1 4.36Å; E181-I185 WeakPolarHBondContact O-CD1 3.47Å; E181-I185 VanDerWaalsContact O-CG1 3.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.43Å; E181-I185 PolarHBondContact O-N 2.94Å; K182-I185 PolarHBondContact O-N 3.02Å; V183-I185 PolarHBondContact O-N 3.24Å; I185-A187 VanDerWaalsContact C-N 3.33Å; I185-A187 PolarHBondContact O-N 2.66Å; I185-I188 PolarHBondContact O-N 2.91Å; I185-V189 HydrophobicContact CG2-CG2 4.31Å; I185-V189 VanDerWaalsContact O-CG2 3.3Å; I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 2.92Å; I185-V245 HydrophobicContact CG1-CG1 4.27Å; I185-V245 HydrophobicContact CG1-CG2 3.8Å; I185-I248 HydrophobicContact CD1-CD1 4.21Å; I185-I248 HydrophobicContact CG1-CD1 4.43Å |
| 186 | A | 92.4 | Very high | 92.1 | Very high | 46 Ų | 46 | 71.9 Ų | 71.9 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K182 V183 I188 V189 L190 | K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.4Å; V183-A186 PolarHBondContact O-N 3.35Å; A186-I188 PolarHBondContact O-N 3.39Å; A186-V189 PolarHBondContact O-N 3.27Å; A186-L190 WeakPolarHBondContact O-CB 3.44Å; A186-L190 VanDerWaalsContact O-CG 3.28Å; A186-L190 WeakPolarHBondContact O-CG 3.33Å; A186-L190 PolarHBondContact O-N 3.47Å |
| 187 | A | 91.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 70.2 Ų | 70.2 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V183 Q184 I185 G191 | V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.35Å; Q184-A187 PolarHBondContact O-N 2.68Å; I185-A187 VanDerWaalsContact C-N 3.33Å; I185-A187 PolarHBondContact O-N 2.66Å; A187-G191 PolarHBondContact O-N 3.42Å |
| 188 | I | 93 | Very high | 93.2 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.138 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.7 | -67.8 | -177.8 | 0 | 0 | 0 | 111.3 | Q184 I185 A186 S192 E241 V245 | Q184-I188 WeakPolarHBondContact O-CG1 3.4Å; Q184-I188 PolarHBondContact O-N 3.4Å; I185-I188 PolarHBondContact O-N 2.91Å; A186-I188 PolarHBondContact O-N 3.39Å; I188-S192 WeakPolarHBondContact O-CB 3.39Å; I188-S192 PolarHBondContact O-N 2.94Å; I188-S192 PolarHBondContact O-OG 3.41Å; I188-E241 HydrophobicContact CD1-CB 3.96Å; I188-E241 HydrophobicContact CG1-CB 4.07Å; I188-V245 HydrophobicContact CD1-CB 3.93Å; I188-V245 HydrophobicContact CD1-CG2 3.43Å; I188-V245 VanDerWaalsContact CD1-CG2 3.43Å |
| 189 | V | 93.6 | Very high | 93.4 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -50.8 | 178.9 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | I185 A186 S192 L193 | I185-V189 HydrophobicContact CG2-CG2 4.31Å; I185-V189 VanDerWaalsContact O-CG2 3.3Å; I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 2.92Å; A186-V189 PolarHBondContact O-N 3.27Å; V189-S192 PolarHBondContact O-N 3.33Å; V189-L193 HydrophobicContact CG1-CD1 4.08Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 3.06Å |
| 190 | L | 93.9 | Very high | 93.6 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 178.6 | -68.2 | 173.2 | 0 | 0 | 0 | 111.8 | A186 S192 L193 F194 | A186-L190 WeakPolarHBondContact O-CB 3.44Å; A186-L190 VanDerWaalsContact O-CG 3.28Å; A186-L190 WeakPolarHBondContact O-CG 3.33Å; A186-L190 PolarHBondContact O-N 3.47Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.49Å; L190-L193 PolarHBondContact O-N 3.29Å; L190-F194 PolarHBondContact O-N 2.84Å |
| 191 | G | 94.2 | Very high | 93.7 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A187 L195 | A187-G191 PolarHBondContact O-N 3.42Å; G191-L195 VanDerWaalsContact O-CB 3.31Å; G191-L195 WeakPolarHBondContact O-CB 3.45Å; G191-L195 PolarHBondContact O-N 3.46Å |
| 192 | S | 94.5 | Very high | 93.8 | Very high | 41 Ų | 41 | 65 Ų | 65 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111.9 | I188 V189 L190 L195 V196 | I188-S192 WeakPolarHBondContact O-CB 3.39Å; I188-S192 PolarHBondContact O-N 2.94Å; I188-S192 PolarHBondContact O-OG 3.41Å; V189-S192 PolarHBondContact O-N 3.33Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.49Å; S192-L195 PolarHBondContact O-N 2.88Å; S192-V196 WeakPolarHBondContact O-CB 3.17Å; S192-V196 VanDerWaalsContact O-CG2 3.26Å; S192-V196 WeakPolarHBondContact O-CG2 3.48Å; S192-V196 PolarHBondContact O-N 2.98Å |
| 193 | L | 95.9 | Very high | 93.8 | Very high | 114 Ų | 114 | 63.4 Ų | 63.4 | 60% | 0.597 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 175.9 | -71.9 | 171.9 | 0 | 0 | 0 | 111.4 | V189 L190 V196 A197 | V189-L193 HydrophobicContact CG1-CD1 4.08Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 3.06Å; L190-L193 PolarHBondContact O-N 3.29Å; L193-V196 PolarHBondContact O-N 2.94Å; L193-A197 WeakPolarHBondContact O-CB 3.41Å; L193-A197 PolarHBondContact O-N 2.87Å |
| 194 | F | 95.1 | Very high | 93.7 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 175.3 | 177.3 | -99.5 | 0 | 0 | 0 | 111.7 | L190 V196 A197 S198 | L190-F194 PolarHBondContact O-N 2.84Å; F194-V196 VanDerWaalsContact C-N 3.34Å; F194-V196 PolarHBondContact O-N 3.29Å; F194-A197 PolarHBondContact O-N 2.81Å; F194-S198 WeakPolarHBondContact O-CB 3.5Å; F194-S198 PolarHBondContact O-N 3.32Å |
| 195 | L | 96.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 66.5 Ų | 66.5 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 177.8 | -169.9 | 89.4 | 0 | 0 | 0 | 111.7 | G191 S192 S198 I199 D231 C234 I235 I238 | G191-L195 VanDerWaalsContact O-CB 3.31Å; G191-L195 WeakPolarHBondContact O-CB 3.45Å; G191-L195 PolarHBondContact O-N 3.46Å; S192-L195 PolarHBondContact O-N 2.88Å; L195-S198 PolarHBondContact O-N 3.3Å; L195-I199 HydrophobicContact CD1-CD1 4.37Å; L195-I199 HydrophobicContact CD2-CD1 3.92Å; L195-I199 HydrophobicContact CG-CD1 3.74Å; L195-I199 HydrophobicContact CG-CG1 4.4Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 VanDerWaalsContact O-CG1 3.27Å; L195-I199 WeakPolarHBondContact O-CG1 3.34Å; L195-I199 PolarHBondContact O-N 3.03Å; L195-D231 HydrophobicContact CD1-CB 4.01Å; L195-D231 WeakPolarHBondContact CD1-O 3.45Å; L195-C234 HydrophobicContact CD1-CB 3.79Å; L195-I235 HydrophobicContact CD1-CD1 4.15Å; L195-I235 HydrophobicContact CD1-CG1 3.62Å; L195-I235 HydrophobicContact CD2-CG1 4Å; L195-I235 HydrophobicContact CG-CG1 4.46Å; L195-I238 HydrophobicContact CD2-CD1 4.3Å |
| 196 | V | 96.4 | Very high | 93.2 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 47% | 0.473 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 179.6 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | S192 L193 F194 S200 | S192-V196 WeakPolarHBondContact O-CB 3.17Å; S192-V196 VanDerWaalsContact O-CG2 3.26Å; S192-V196 WeakPolarHBondContact O-CG2 3.48Å; S192-V196 PolarHBondContact O-N 2.98Å; L193-V196 PolarHBondContact O-N 2.94Å; F194-V196 VanDerWaalsContact C-N 3.34Å; F194-V196 PolarHBondContact O-N 3.29Å; V196-S200 WeakPolarHBondContact O-CB 3.45Å; V196-S200 PolarHBondContact O-N 2.99Å; V196-S200 PolarHBondContact O-OG 3.33Å |
| 197 | A | 96.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 71 Ų | 71 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L193 F194 S200 W201 | L193-A197 WeakPolarHBondContact O-CB 3.41Å; L193-A197 PolarHBondContact O-N 2.87Å; F194-A197 PolarHBondContact O-N 2.81Å; A197-S200 PolarHBondContact O-N 2.83Å; A197-W201 WeakPolarHBondContact O-CB 3.32Å; A197-W201 PolarHBondContact O-N 3.33Å |
| 198 | S | 95.4 | Very high | 92.5 | Very high | 8 Ų | 8 | 69.5 Ų | 69.5 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.7 | -51.6 | 178.1 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | F194 L195 S200 W201 L202 D231 | F194-S198 WeakPolarHBondContact O-CB 3.5Å; F194-S198 PolarHBondContact O-N 3.32Å; L195-S198 PolarHBondContact O-N 3.3Å; S198-S200 VanDerWaalsContact C-N 3.32Å; S198-S200 PolarHBondContact O-N 3.05Å; S198-W201 WeakPolarHBondContact O-CB 3.44Å; S198-W201 PolarHBondContact O-N 3.22Å; S198-W201 VanDerWaalsContact O-N 3.16Å; S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 2.77Å; S198-D231 WeakPolarHBondContact CB-OD1 3.49Å; S198-D231 VanDerWaalsContact OG-CG 3.23Å; S198-D231 PolarHBondContact OG-OD1 2.82Å; S198-D231 PolarHBondContact OG-OD2 2.8Å |
| 199 | I | 95.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 72.7 Ų | 72.7 | 33% | 0.328 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.3 | -69.1 | 172.6 | 0 | 0 | 0 | 110.9 | L195 W201 L202 I203 | L195-I199 HydrophobicContact CD1-CD1 4.37Å; L195-I199 HydrophobicContact CD2-CD1 3.92Å; L195-I199 HydrophobicContact CG-CD1 3.74Å; L195-I199 HydrophobicContact CG-CG1 4.4Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 VanDerWaalsContact O-CG1 3.27Å; L195-I199 WeakPolarHBondContact O-CG1 3.34Å; L195-I199 PolarHBondContact O-N 3.03Å; I199-W201 VanDerWaalsContact C-N 3.31Å; I199-W201 PolarHBondContact O-N 3.24Å; I199-L202 PolarHBondContact O-N 2.94Å; I199-I203 HydrophobicContact CG2-CD1 3.53Å; I199-I203 HydrophobicContact CG2-CG1 4.17Å; I199-I203 WeakPolarHBondContact O-CB 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.25Å |
| 200 | S | 94.6 | Very high | 90.7 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | V196 A197 S198 W204 | V196-S200 WeakPolarHBondContact O-CB 3.45Å; V196-S200 PolarHBondContact O-N 2.99Å; V196-S200 PolarHBondContact O-OG 3.33Å; A197-S200 PolarHBondContact O-N 2.83Å; S198-S200 VanDerWaalsContact C-N 3.32Å; S198-S200 PolarHBondContact O-N 3.05Å; S200-W204 WeakPolarHBondContact O-CB 3.19Å; S200-W204 PolarHBondContact O-N 2.87Å |
| 201 | W | 92.5 | Very high | 89.4 | Confident | 113 Ų | 113 | 70 Ų | 70 | 43% | 0.428 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 174.8 | -174.9 | 86.5 | 0 | 0 | 0 | 111.7 | A197 S198 I199 I203 W204 S205 Y224 Y227 | A197-W201 WeakPolarHBondContact O-CB 3.32Å; A197-W201 PolarHBondContact O-N 3.33Å; S198-W201 WeakPolarHBondContact O-CB 3.44Å; S198-W201 PolarHBondContact O-N 3.22Å; S198-W201 VanDerWaalsContact O-N 3.16Å; I199-W201 VanDerWaalsContact C-N 3.31Å; I199-W201 PolarHBondContact O-N 3.24Å; W201-I203 PolarHBondContact O-N 3.45Å; W201-W204 PolarHBondContact O-N 3.21Å; W201-S205 WeakPolarHBondContact O-CA 3.09Å; W201-S205 WeakPolarHBondContact O-CB 3.47Å; W201-S205 PolarHBondContact O-N 3.02Å; W201-Y224 HydrophobicContact CH2-CE1 4.12Å; W201-Y224 HydrophobicContact CZ3-CD1 4.14Å; W201-Y224 AromaticContact CZ3-CE1 3.93Å; W201-Y224 HydrophobicContact CZ3-CE1 3.93Å; W201-Y227 HydrophobicContact CH2-CE2 4.4Å; W201-Y227 AromaticContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CE2 4.13Å |
| 202 | L | 91.9 | Very high | 88.2 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 18% | 0.178 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.6 | -72.1 | 177 | 0 | 0 | 0 | 112.5 | S198 I199 S205 S206 Y224 D231 | S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 2.77Å; I199-L202 PolarHBondContact O-N 2.94Å; L202-S205 PolarHBondContact O-N 3.46Å; L202-S206 VanDerWaalsContact O-CB 3.25Å; L202-S206 WeakPolarHBondContact O-CB 3.32Å; L202-S206 PolarHBondContact O-N 3.03Å; L202-S206 PolarHBondContact O-OG 3.06Å; L202-Y224 HydrophobicContact CD2-CD1 3.53Å; L202-Y224 HydrophobicContact CD2-CE1 4.15Å; L202-D231 VanDerWaalsContact CD1-OD2 3.29Å; L202-D231 WeakPolarHBondContact CD1-OD2 3.33Å |
| 203 | I | 91.2 | Very high | 87 | Confident | 89 Ų | 89 | 84 Ų | 84 | 46% | 0.456 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -50.7 | 176.7 | -70.2 | 169.4 | 0 | 0 | 0 | 110.2 | I199 W201 S205 S206 L207 | I199-I203 HydrophobicContact CG2-CD1 3.53Å; I199-I203 HydrophobicContact CG2-CG1 4.17Å; I199-I203 WeakPolarHBondContact O-CB 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.25Å; W201-I203 PolarHBondContact O-N 3.45Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.03Å; I203-S206 PolarHBondContact O-N 2.96Å; I203-S206 PolarHBondContact O-OG 3.33Å; I203-L207 HydrophobicContact CG2-CD1 3.66Å; I203-L207 HydrophobicContact CG2-CG 4.46Å; I203-L207 WeakPolarHBondContact O-CB 3.27Å; I203-L207 VanDerWaalsContact O-CG 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.37Å; I203-L207 PolarHBondContact O-N 3.32Å |
| 204 | W | 90.6 | Very high | 85.6 | Confident | 187 Ų | 187 | 83.2 Ų | 83.2 | 71% | 0.708 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.4 | -47.5 | 175.8 | 175.4 | -92.6 | 0 | 0 | 0 | 111.5 | S200 W201 S206 L207 S208 | S200-W204 WeakPolarHBondContact O-CB 3.19Å; S200-W204 PolarHBondContact O-N 2.87Å; W201-W204 PolarHBondContact O-N 3.21Å; W204-S206 VanDerWaalsContact C-N 3.3Å; W204-S206 PolarHBondContact O-N 3.1Å; W204-L207 PolarHBondContact O-N 2.8Å; W204-S208 WeakPolarHBondContact O-CB 3.02Å; W204-S208 PolarHBondContact O-N 3.22Å |
| 205 | S | 88.1 | Confident | 84.5 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.2 | -27 | -177 | -166.6 | 0 | 0 | 0 | 0 | 112.4 | W201 L202 I203 R215 Y224 | W201-S205 WeakPolarHBondContact O-CA 3.09Å; W201-S205 WeakPolarHBondContact O-CB 3.47Å; W201-S205 PolarHBondContact O-N 3.02Å; L202-S205 PolarHBondContact O-N 3.46Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.03Å; S205-R215 PolarHBondContact O-NE 2.97Å; S205-R215 PolarHBondContact O-NH2 3.22Å; S205-Y224 PolarHBondContact O-OH 3.16Å; S205-Y224 WeakPolarHBondContact OG-CE1 3.46Å; S205-Y224 PolarHBondContact OG-OH 3.3Å |
| 206 | S | 84.6 | Confident | 83.6 | Confident | 67 Ų | 67 | 87 Ų | 87 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -85.3 | -30.8 | 174.6 | 56 | 0 | 0 | 0 | 0 | 113.5 | L202 I203 W204 R215 | L202-S206 VanDerWaalsContact O-CB 3.25Å; L202-S206 WeakPolarHBondContact O-CB 3.32Å; L202-S206 PolarHBondContact O-N 3.03Å; L202-S206 PolarHBondContact O-OG 3.06Å; I203-S206 PolarHBondContact O-N 2.96Å; I203-S206 PolarHBondContact O-OG 3.33Å; W204-S206 VanDerWaalsContact C-N 3.3Å; W204-S206 PolarHBondContact O-N 3.1Å; S206-R215 VanDerWaalsContact O-CZ 3.27Å; S206-R215 PolarHBondContact O-NE 3.05Å; S206-R215 PolarHBondContact O-NH2 3.4Å |
| 207 | L | 84.4 | Confident | 83.2 | Confident | 128 Ų | 128 | 87.6 Ų | 87.6 | 67% | 0.67 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -93.4 | -24.4 | -174 | -62.9 | 177.1 | 0 | 0 | 0 | 114.5 | I203 W204 P209 | I203-L207 HydrophobicContact CG2-CD1 3.66Å; I203-L207 HydrophobicContact CG2-CG 4.46Å; I203-L207 WeakPolarHBondContact O-CB 3.27Å; I203-L207 VanDerWaalsContact O-CG 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.37Å; I203-L207 PolarHBondContact O-N 3.32Å; W204-L207 PolarHBondContact O-N 2.8Å; L207-P209 VanDerWaalsContact O-CD 3.26Å; L207-P209 WeakPolarHBondContact O-CD 3.29Å |
| 208 | S | 85.9 | Confident | 82.8 | Confident | 24 Ų | 24 | 90.6 Ų | 90.6 | 17% | 0.168 | 46% | 0.456 | C | S | . | . | trans | -61.6 | 117.9 | -173.8 | -179 | 0 | 0 | 0 | 0 | 113.4 | W204 S210 A211 R215 | W204-S208 WeakPolarHBondContact O-CB 3.02Å; W204-S208 PolarHBondContact O-N 3.22Å; S208-S210 PolarHBondContact O-N 3.39Å; S208-A211 PolarHBondContact O-N 2.88Å; S208-R215 VanDerWaalsContact N-NH2 3.1Å; S208-R215 VanDerWaalsContact O-CZ 3.25Å; S208-R215 PolarHBondContact O-NH1 3.45Å; S208-R215 PolarHBondContact O-NH2 3.29Å | ||
| 209 | P | 77.6 | Confident | 82.4 | Confident | 93 Ų | 93 | 96 Ų | 96 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -62.9 | -25.5 | -179.1 | -24.5 | 35.3 | 0 | 0 | 0 | 114.1 | L207 A211 K212 | L207-P209 VanDerWaalsContact O-CD 3.26Å; L207-P209 WeakPolarHBondContact O-CD 3.29Å; P209-A211 PolarHBondContact O-N 3.08Å; P209-K212 WeakPolarHBondContact O-CG 3.49Å |
| 210 | S | 70.8 | Confident | 82 | Confident | 118 Ų | 118 | 95.9 Ų | 95.9 | 83% | 0.825 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -71.7 | -13.6 | -177 | -50.6 | 0 | 0 | 0 | 0 | 114.2 | S208 | S208-S210 PolarHBondContact O-N 3.39Š|
| 211 | A | 65.6 | Low | 81.6 | Confident | 21 Ų | 21 | 98.5 Ų | 98.5 | 17% | 0.174 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -111.7 | 15.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S208 P209 W213 Q214 R215 | S208-A211 PolarHBondContact O-N 2.88Å; P209-A211 PolarHBondContact O-N 3.08Å; A211-W213 VanDerWaalsContact C-N 3.33Å; A211-W213 PolarHBondContact O-N 3.16Å; A211-Q214 PolarHBondContact O-N 3.05Å; A211-R215 WeakPolarHBondContact O-CG 3.38Å; A211-R215 PolarHBondContact O-N 3.07Å |
| 212 | K | 69.8 | Low | 81.6 | Confident | 133 Ų | 133 | 98.3 Ų | 98.3 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -40.6 | -175.2 | -72.7 | 178.3 | -170.9 | -178.7 | 0 | 113.5 | P209 | P209-K212 WeakPolarHBondContact O-CG 3.49Š|
| 213 | W | 69.3 | Low | 81.6 | Confident | 222 Ų | 222 | 98.5 Ų | 98.5 | 84% | 0.841 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -37 | 178.5 | -58.2 | 106.9 | 0 | 0 | 0 | 112.5 | A211 R215 Q216 | A211-W213 VanDerWaalsContact C-N 3.33Å; A211-W213 PolarHBondContact O-N 3.16Å; W213-R215 VanDerWaalsContact C-N 3.29Å; W213-R215 PolarHBondContact O-N 2.93Å; W213-Q216 PolarHBondContact O-N 3.47Å |
| 214 | Q | 66 | Low | 81.6 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -18.1 | -178.9 | -167.6 | 176 | -36.8 | 0 | 0 | 113.5 | A211 F220 | A211-Q214 PolarHBondContact O-N 3.05Å; Q214-F220 HydrophobicContact CG-CD1 4.37Å; Q214-F220 HydrophobicContact CG-CD2 3.75Å; Q214-F220 HydrophobicContact CG-CE1 4.07Å; Q214-F220 HydrophobicContact CG-CE2 3.37Å; Q214-F220 HydrophobicContact CG-CG 4.23Å; Q214-F220 HydrophobicContact CG-CZ 3.56Å; Q214-F220 WeakPolarHBondContact O-CB 3.47Å; Q214-F220 WeakPolarHBondContact O-CD2 3.43Å; Q214-F220 WeakPolarHBondContact O-CG 3.37Å |
| 215 | R | 71.8 | Confident | 81.6 | Confident | 52 Ų | 52 | 90.2 Ų | 90.2 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.7 | 178.3 | -71.8 | 179.8 | -167 | 109.8 | 5.8 | 114.3 | S205 S206 S208 A211 W213 D217 Y224 | S205-R215 PolarHBondContact O-NE 2.97Å; S205-R215 PolarHBondContact O-NH2 3.22Å; S206-R215 VanDerWaalsContact O-CZ 3.27Å; S206-R215 PolarHBondContact O-NE 3.05Å; S206-R215 PolarHBondContact O-NH2 3.4Å; S208-R215 VanDerWaalsContact N-NH2 3.1Å; S208-R215 VanDerWaalsContact O-CZ 3.25Å; S208-R215 PolarHBondContact O-NH1 3.45Å; S208-R215 PolarHBondContact O-NH2 3.29Å; A211-R215 WeakPolarHBondContact O-CG 3.38Å; A211-R215 PolarHBondContact O-N 3.07Å; W213-R215 VanDerWaalsContact C-N 3.29Å; W213-R215 PolarHBondContact O-N 2.93Å; R215-D217 VanDerWaalsContact C-N 3.31Å; R215-Y224 HydrophobicContact CG-CE2 4.35Å |
| 216 | Q | 78.5 | Confident | 82 | Confident | 153 Ų | 153 | 94.1 Ų | 94.1 | 72% | 0.715 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -83.8 | -12.6 | 179.6 | -76.2 | 176.2 | -28.7 | 0 | 0 | 112.4 | W213 | W213-Q216 PolarHBondContact O-N 3.47Š|
| 217 | D | 87.3 | Confident | 82.4 | Confident | 89 Ų | 89 | 95 Ų | 95 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -68.3 | 129.4 | 173.3 | -79.3 | -38.5 | 0 | 0 | 0 | 111 | R215 L219 F220 Q221 | R215-D217 VanDerWaalsContact C-N 3.31Å; D217-L219 PolarHBondContact O-N 2.93Å; D217-L219 VanDerWaalsContact O-N 3.13Å; D217-F220 HydrophobicContact CB-CD2 3.78Å; D217-F220 PolarHBondContact O-N 3.44Å; D217-F220 VanDerWaalsContact O-N 3.09Å; D217-Q221 PolarHBondContact O-N 3.23Å |
| 218 | L | 86.9 | Confident | 82.9 | Confident | 125 Ų | 125 | 90.3 Ų | 90.3 | 65% | 0.654 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -54.9 | -35.3 | -178.7 | -176.2 | 66 | 0 | 0 | 0 | 112.4 | Q221 I222 | L218-Q221 PolarHBondContact O-N 3.1Å; L218-I222 HydrophobicContact CD1-CD1 4.49Å; L218-I222 HydrophobicContact CG-CD1 3.99Å; L218-I222 VanDerWaalsContact O-CG1 3.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.04Å; L218-I222 PolarHBondContact O-N 3.43Å |
| 219 | L | 87.6 | Confident | 83.3 | Confident | 121 Ų | 121 | 95.1 Ų | 95.1 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 179.8 | -164.3 | 155.8 | 0 | 0 | 0 | 111.4 | D217 Q221 I222 C223 | D217-L219 PolarHBondContact O-N 2.93Å; D217-L219 VanDerWaalsContact O-N 3.13Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 2.84Å; L219-I222 PolarHBondContact O-N 3.25Å; L219-C223 PolarHBondContact O-N 3.48Å; L219-C223 PolarHBondContact O-SG 2.95Å |
| 220 | F | 86.5 | Confident | 84.1 | Confident | 61 Ų | 61 | 94.7 Ų | 94.7 | 27% | 0.268 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 178.5 | -74 | -79.6 | 0 | 0 | 0 | 112 | Q214 D217 C223 Y224 | Q214-F220 HydrophobicContact CG-CD1 4.37Å; Q214-F220 HydrophobicContact CG-CD2 3.75Å; Q214-F220 HydrophobicContact CG-CE1 4.07Å; Q214-F220 HydrophobicContact CG-CE2 3.37Å; Q214-F220 HydrophobicContact CG-CG 4.23Å; Q214-F220 HydrophobicContact CG-CZ 3.56Å; Q214-F220 WeakPolarHBondContact O-CB 3.47Å; Q214-F220 WeakPolarHBondContact O-CD2 3.43Å; Q214-F220 WeakPolarHBondContact O-CG 3.37Å; D217-F220 HydrophobicContact CB-CD2 3.78Å; D217-F220 PolarHBondContact O-N 3.44Å; D217-F220 VanDerWaalsContact O-N 3.09Å; F220-C223 WeakPolarHBondContact O-CB 3.04Å; F220-C223 PolarHBondContact O-N 3.04Å; F220-Y224 HydrophobicContact CB-CE2 4.42Å; F220-Y224 WeakPolarHBondContact O-CD2 3.39Å; F220-Y224 PolarHBondContact O-N 3.46Å |
| 221 | Q | 87.5 | Confident | 85.3 | Confident | 121 Ų | 121 | 89.6 Ų | 89.6 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 174.6 | -165.6 | 173.8 | -15.7 | 0 | 0 | 112.2 | D217 L218 L219 Y224 G225 | D217-Q221 PolarHBondContact O-N 3.23Å; L218-Q221 PolarHBondContact O-N 3.1Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 2.84Å; Q221-Y224 PolarHBondContact O-N 2.88Å; Q221-G225 PolarHBondContact O-N 3.37Å |
| 222 | I | 92.1 | Very high | 86.8 | Confident | 109 Ų | 109 | 93.2 Ų | 93.2 | 56% | 0.559 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 172.9 | -67.7 | 164.6 | 0 | 0 | 0 | 110.4 | L218 L219 Y224 G225 M226 | L218-I222 HydrophobicContact CD1-CD1 4.49Å; L218-I222 HydrophobicContact CG-CD1 3.99Å; L218-I222 VanDerWaalsContact O-CG1 3.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.04Å; L218-I222 PolarHBondContact O-N 3.43Å; L219-I222 PolarHBondContact O-N 3.25Å; I222-Y224 PolarHBondContact O-N 3.07Å; I222-G225 PolarHBondContact O-N 2.94Å; I222-M226 PolarHBondContact O-N 3Å |
| 223 | C | 90.7 | Very high | 88 | Confident | 38 Ų | 38 | 89.9 Ų | 89.9 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 176.1 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | L219 F220 G225 M226 Y227 | L219-C223 PolarHBondContact O-N 3.48Å; L219-C223 PolarHBondContact O-SG 2.95Å; F220-C223 WeakPolarHBondContact O-CB 3.04Å; F220-C223 PolarHBondContact O-N 3.04Å; C223-G225 VanDerWaalsContact C-N 3.33Å; C223-G225 PolarHBondContact O-N 3.35Å; C223-M226 PolarHBondContact O-N 3.33Å; C223-Y227 WeakPolarHBondContact O-CD2 3.3Å; C223-Y227 PolarHBondContact O-N 3.41Å |
| 224 | Y | 91.4 | Very high | 89.2 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 21% | 0.208 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 177.2 | -66.7 | -46.5 | 0 | 0 | 0 | 112.8 | W201 L202 S205 R215 F220 Q221 I222 M226 Y227 G228 | W201-Y224 HydrophobicContact CH2-CE1 4.12Å; W201-Y224 HydrophobicContact CZ3-CD1 4.14Å; W201-Y224 AromaticContact CZ3-CE1 3.93Å; W201-Y224 HydrophobicContact CZ3-CE1 3.93Å; L202-Y224 HydrophobicContact CD2-CD1 3.53Å; L202-Y224 HydrophobicContact CD2-CE1 4.15Å; S205-Y224 PolarHBondContact O-OH 3.16Å; S205-Y224 WeakPolarHBondContact OG-CE1 3.46Å; S205-Y224 PolarHBondContact OG-OH 3.3Å; R215-Y224 HydrophobicContact CG-CE2 4.35Å; F220-Y224 HydrophobicContact CB-CE2 4.42Å; F220-Y224 WeakPolarHBondContact O-CD2 3.39Å; F220-Y224 PolarHBondContact O-N 3.46Å; Q221-Y224 PolarHBondContact O-N 2.88Å; I222-Y224 PolarHBondContact O-N 3.07Å; Y224-M226 VanDerWaalsContact C-N 3.33Å; Y224-M226 PolarHBondContact O-N 3.4Å; Y224-Y227 PolarHBondContact O-N 3.03Å; Y224-G228 PolarHBondContact O-N 3.24Å |
| 225 | G | 92.3 | Very high | 90.6 | Very high | 50 Ų | 50 | 79.1 Ų | 79.1 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q221 I222 C223 F229 | Q221-G225 PolarHBondContact O-N 3.37Å; I222-G225 PolarHBondContact O-N 2.94Å; C223-G225 VanDerWaalsContact C-N 3.33Å; C223-G225 PolarHBondContact O-N 3.35Å; G225-F229 WeakPolarHBondContact O-CB 3.49Å; G225-F229 PolarHBondContact O-N 2.87Å |
| 226 | M | 94.8 | Very high | 91.7 | Very high | 99 Ų | 99 | 78.4 Ų | 78.4 | 49% | 0.488 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 178 | -173.2 | -173.5 | 68.4 | 0 | 0 | 112.2 | I222 C223 Y224 G228 F229 M230 | I222-M226 PolarHBondContact O-N 3Å; C223-M226 PolarHBondContact O-N 3.33Å; Y224-M226 VanDerWaalsContact C-N 3.33Å; Y224-M226 PolarHBondContact O-N 3.4Å; M226-G228 VanDerWaalsContact C-N 3.34Å; M226-G228 PolarHBondContact O-N 2.92Å; M226-F229 PolarHBondContact O-N 3.48Å; M226-M230 WeakPolarHBondContact O-CG 3.4Å; M226-M230 PolarHBondContact O-N 3.47Å |
| 227 | Y | 93.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 76 Ų | 76 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.3 | -81.9 | -73.5 | 0 | 0 | 0 | 111.7 | W201 C223 Y224 F229 M230 D231 | W201-Y227 HydrophobicContact CH2-CE2 4.4Å; W201-Y227 AromaticContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CE2 4.13Å; C223-Y227 WeakPolarHBondContact O-CD2 3.3Å; C223-Y227 PolarHBondContact O-N 3.41Å; Y224-Y227 PolarHBondContact O-N 3.03Å; Y227-F229 VanDerWaalsContact C-N 3.34Å; Y227-F229 PolarHBondContact O-N 3.39Å; Y227-M230 PolarHBondContact O-N 3.46Å; Y227-D231 VanDerWaalsContact O-CG 3.26Å; Y227-D231 PolarHBondContact O-N 3.34Å |
| 228 | G | 94.1 | Very high | 92.7 | Very high | 29 Ų | 29 | 73.6 Ų | 73.6 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y224 M226 D231 V232 | Y224-G228 PolarHBondContact O-N 3.24Å; M226-G228 VanDerWaalsContact C-N 3.34Å; M226-G228 PolarHBondContact O-N 2.92Å; G228-D231 PolarHBondContact O-N 2.99Å; G228-V232 WeakPolarHBondContact O-CG2 3.44Å; G228-V232 PolarHBondContact O-N 3.3Å |
| 229 | F | 95.6 | Very high | 93 | Very high | 126 Ų | 126 | 72.8 Ų | 72.8 | 55% | 0.553 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 173.9 | 174.7 | -98.7 | 0 | 0 | 0 | 112 | G225 M226 Y227 D231 V232 V233 | G225-F229 WeakPolarHBondContact O-CB 3.49Å; G225-F229 PolarHBondContact O-N 2.87Å; M226-F229 PolarHBondContact O-N 3.48Å; Y227-F229 VanDerWaalsContact C-N 3.34Å; Y227-F229 PolarHBondContact O-N 3.39Å; F229-D231 VanDerWaalsContact C-N 3.31Å; F229-D231 PolarHBondContact O-N 2.86Å; F229-V232 PolarHBondContact O-N 2.89Å; F229-V233 HydrophobicContact CD1-CG2 4.39Å; F229-V233 HydrophobicContact CE1-CG2 3.91Å; F229-V233 HydrophobicContact CE2-CG2 4.26Å; F229-V233 HydrophobicContact CZ-CG2 3.84Å; F229-V233 WeakPolarHBondContact O-CG2 3.45Å; F229-V233 PolarHBondContact O-N 3.44Å |
| 230 | M | 94.3 | Very high | 93.2 | Very high | 84 Ų | 84 | 73.2 Ų | 73.2 | 41% | 0.414 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.5 | -67 | -58.6 | 156.2 | 0 | 0 | 111.7 | M226 Y227 V232 V233 C234 | M226-M230 WeakPolarHBondContact O-CG 3.4Å; M226-M230 PolarHBondContact O-N 3.47Å; Y227-M230 PolarHBondContact O-N 3.46Å; M230-V232 VanDerWaalsContact C-N 3.35Å; M230-V232 PolarHBondContact O-N 3.46Å; M230-V233 PolarHBondContact O-N 3.41Å; M230-C234 WeakPolarHBondContact O-CB 3.32Å; M230-C234 PolarHBondContact O-N 2.92Å; M230-C234 PolarHBondContact O-SG 3.28Å; M230-C234 VanDerWaalsContact O-SG 3.33Å |
| 231 | D | 95.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.053 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.5 | -70.9 | -18.2 | 0 | 0 | 0 | 111.9 | L195 S198 L202 Y227 G228 F229 C234 I235 | L195-D231 HydrophobicContact CD1-CB 4.01Å; L195-D231 WeakPolarHBondContact CD1-O 3.45Å; S198-D231 WeakPolarHBondContact CB-OD1 3.49Å; S198-D231 VanDerWaalsContact OG-CG 3.23Å; S198-D231 PolarHBondContact OG-OD1 2.82Å; S198-D231 PolarHBondContact OG-OD2 2.8Å; L202-D231 VanDerWaalsContact CD1-OD2 3.29Å; L202-D231 WeakPolarHBondContact CD1-OD2 3.33Å; Y227-D231 VanDerWaalsContact O-CG 3.26Å; Y227-D231 PolarHBondContact O-N 3.34Å; G228-D231 PolarHBondContact O-N 2.99Å; F229-D231 VanDerWaalsContact C-N 3.31Å; F229-D231 PolarHBondContact O-N 2.86Å; D231-C234 PolarHBondContact O-N 3.26Å; D231-I235 VanDerWaalsContact O-CG1 3.23Å; D231-I235 WeakPolarHBondContact O-CG1 3.34Å; D231-I235 PolarHBondContact O-N 3.03Å |
| 232 | V | 96.2 | Very high | 93.5 | Very high | 97 Ų | 97 | 68.5 Ų | 68.5 | 59% | 0.588 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | G228 F229 M230 I235 G236 | G228-V232 WeakPolarHBondContact O-CG2 3.44Å; G228-V232 PolarHBondContact O-N 3.3Å; F229-V232 PolarHBondContact O-N 2.89Å; M230-V232 VanDerWaalsContact C-N 3.35Å; M230-V232 PolarHBondContact O-N 3.46Å; V232-I235 PolarHBondContact O-N 2.89Å; V232-G236 PolarHBondContact O-N 3.46Å |
| 233 | V | 95.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | F229 M230 I235 G236 L237 | F229-V233 HydrophobicContact CD1-CG2 4.39Å; F229-V233 HydrophobicContact CE1-CG2 3.91Å; F229-V233 HydrophobicContact CE2-CG2 4.26Å; F229-V233 HydrophobicContact CZ-CG2 3.84Å; F229-V233 WeakPolarHBondContact O-CG2 3.45Å; F229-V233 PolarHBondContact O-N 3.44Å; M230-V233 PolarHBondContact O-N 3.41Å; V233-I235 PolarHBondContact O-N 3.15Å; V233-G236 PolarHBondContact O-N 3.39Å; V233-G236 VanDerWaalsContact O-N 3.13Å; V233-L237 HydrophobicContact CG1-CD1 4.34Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 2.94Å |
| 234 | C | 95.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 175.6 | -72.9 | 0 | 0 | 0 | 0 | 112.2 | L195 M230 D231 G236 L237 I238 | L195-C234 HydrophobicContact CD1-CB 3.79Å; M230-C234 WeakPolarHBondContact O-CB 3.32Å; M230-C234 PolarHBondContact O-N 2.92Å; M230-C234 PolarHBondContact O-SG 3.28Å; M230-C234 VanDerWaalsContact O-SG 3.33Å; D231-C234 PolarHBondContact O-N 3.26Å; C234-G236 VanDerWaalsContact C-N 3.33Å; C234-G236 PolarHBondContact O-N 3.24Å; C234-L237 PolarHBondContact O-N 2.75Å; C234-I238 VanDerWaalsContact O-CG1 3.24Å; C234-I238 WeakPolarHBondContact O-CG1 3.42Å; C234-I238 PolarHBondContact O-N 2.79Å |
| 235 | I | 95.4 | Very high | 93.2 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.6 | -69.2 | 162.7 | 0 | 0 | 0 | 110.6 | L195 D231 V232 V233 L237 I238 I239 | L195-I235 HydrophobicContact CD1-CD1 4.15Å; L195-I235 HydrophobicContact CD1-CG1 3.62Å; L195-I235 HydrophobicContact CD2-CG1 4Å; L195-I235 HydrophobicContact CG-CG1 4.46Å; D231-I235 VanDerWaalsContact O-CG1 3.23Å; D231-I235 WeakPolarHBondContact O-CG1 3.34Å; D231-I235 PolarHBondContact O-N 3.03Å; V232-I235 PolarHBondContact O-N 2.89Å; V233-I235 PolarHBondContact O-N 3.15Å; I235-L237 PolarHBondContact O-N 3.39Å; I235-I238 PolarHBondContact O-N 2.85Å; I235-I239 HydrophobicContact CG2-CD1 3.71Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.47Å; I235-I239 PolarHBondContact O-N 2.97Å |
| 236 | G | 93.9 | Very high | 93 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V232 V233 C234 I239 H240 | V232-G236 PolarHBondContact O-N 3.46Å; V233-G236 PolarHBondContact O-N 3.39Å; V233-G236 VanDerWaalsContact O-N 3.13Å; C234-G236 VanDerWaalsContact C-N 3.33Å; C234-G236 PolarHBondContact O-N 3.24Å; G236-I239 PolarHBondContact O-N 3.1Å; G236-H240 WeakPolarHBondContact O-CB 3.48Å; G236-H240 PolarHBondContact O-N 3.39Å |
| 237 | L | 92.3 | Very high | 92.7 | Very high | 101 Ų | 101 | 71.1 Ų | 71.1 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.4 | -66.6 | 175.5 | 0 | 0 | 0 | 112.1 | V233 C234 I235 I239 H240 E241 | V233-L237 HydrophobicContact CG1-CD1 4.34Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 2.94Å; C234-L237 PolarHBondContact O-N 2.75Å; I235-L237 PolarHBondContact O-N 3.39Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 PolarHBondContact O-N 2.95Å; L237-H240 PolarHBondContact O-N 3.36Å; L237-E241 WeakPolarHBondContact O-CG 3.47Å; L237-E241 PolarHBondContact O-N 3.47Å |
| 238 | I | 94.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 67.7 Ų | 67.7 | 21% | 0.205 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176.4 | -69.3 | 164.2 | 0 | 0 | 0 | 111 | L195 C234 I235 G242 | L195-I238 HydrophobicContact CD2-CD1 4.3Å; C234-I238 VanDerWaalsContact O-CG1 3.24Å; C234-I238 WeakPolarHBondContact O-CG1 3.42Å; C234-I238 PolarHBondContact O-N 2.79Å; I235-I238 PolarHBondContact O-N 2.85Å; I238-G242 WeakPolarHBondContact O-CA 3.21Å; I238-G242 PolarHBondContact O-N 3.41Å |
| 239 | I | 93.9 | Very high | 92.1 | Very high | 108 Ų | 108 | 71.2 Ų | 71.2 | 55% | 0.554 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.7 | -43.9 | 178.1 | -68.7 | 169.1 | 0 | 0 | 0 | 110.8 | I235 G236 L237 | I235-I239 HydrophobicContact CG2-CD1 3.71Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.47Å; I235-I239 PolarHBondContact O-N 2.97Å; G236-I239 PolarHBondContact O-N 3.1Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 PolarHBondContact O-N 2.95Å |
| 240 | H | 91.9 | Very high | 91.6 | Very high | 130 Ų | 130 | 69 Ų | 69 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.3 | -53.3 | 178.9 | -175.3 | -101.6 | 0 | 0 | 0 | 110.7 | G236 L237 | G236-H240 WeakPolarHBondContact O-CB 3.48Å; G236-H240 PolarHBondContact O-N 3.39Å; L237-H240 PolarHBondContact O-N 3.36Å |
| 241 | E | 90.5 | Very high | 91.3 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -81.5 | -19.9 | -177.9 | -49.1 | -42.9 | 168.9 | 0 | 0 | 114.2 | I188 L237 S243 S244 V245 | I188-E241 HydrophobicContact CD1-CB 3.96Å; I188-E241 HydrophobicContact CG1-CB 4.07Å; L237-E241 WeakPolarHBondContact O-CG 3.47Å; L237-E241 PolarHBondContact O-N 3.47Å; E241-S243 PolarHBondContact O-N 3.25Å; E241-S243 VanDerWaalsContact O-N 3.14Å; E241-S244 WeakPolarHBondContact O-CB 3.25Å; E241-S244 PolarHBondContact O-N 2.9Å; E241-V245 PolarHBondContact O-N 3.48Å |
| 242 | G | 90.4 | Very high | 90.8 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.4 | -27.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I238 Y246 | I238-G242 WeakPolarHBondContact O-CA 3.21Å; I238-G242 PolarHBondContact O-N 3.41Å; G242-Y246 WeakPolarHBondContact O-CB 3.28Å; G242-Y246 PolarHBondContact O-N 3.48Å |
| 243 | S | 89.6 | Confident | 90.2 | Very high | 86 Ų | 86 | 70.4 Ų | 70.4 | 60% | 0.601 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 173.9 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | E241 Y246 R247 | E241-S243 PolarHBondContact O-N 3.25Å; E241-S243 VanDerWaalsContact O-N 3.14Å; S243-Y246 PolarHBondContact O-N 3.4Å; S243-R247 PolarHBondContact O-N 3.12Å |
| 244 | S | 89.1 | Confident | 89.7 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.1 | -48.8 | 178.1 | -167.4 | 0 | 0 | 0 | 0 | 111 | Q184 E241 Y246 R247 I248 | Q184-S244 PolarHBondContact OE1-OG 2.46Å; E241-S244 WeakPolarHBondContact O-CB 3.25Å; E241-S244 PolarHBondContact O-N 2.9Å; S244-Y246 VanDerWaalsContact C-N 3.29Å; S244-Y246 PolarHBondContact O-N 3.15Å; S244-R247 WeakPolarHBondContact O-CB 3.21Å; S244-R247 PolarHBondContact O-N 3.07Å; S244-R247 VanDerWaalsContact O-N 3.08Å; S244-I248 WeakPolarHBondContact O-CG1 3.05Å; S244-I248 PolarHBondContact O-N 3.28Å; S244-I248 VanDerWaalsContact O-N 3.14Å |
| 245 | V | 88.3 | Confident | 89 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -33.1 | 179.5 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | I185 I188 E241 R247 I248 F249 | I185-V245 HydrophobicContact CG1-CG1 4.27Å; I185-V245 HydrophobicContact CG1-CG2 3.8Å; I188-V245 HydrophobicContact CD1-CB 3.93Å; I188-V245 HydrophobicContact CD1-CG2 3.43Å; I188-V245 VanDerWaalsContact CD1-CG2 3.43Å; E241-V245 PolarHBondContact O-N 3.48Å; V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 2.85Å; V245-I248 HydrophobicContact CG2-CD1 4.45Å; V245-I248 WeakPolarHBondContact O-CB 3.39Å; V245-I248 PolarHBondContact O-N 2.88Å; V245-F249 WeakPolarHBondContact O-CB 3.3Å; V245-F249 PolarHBondContact O-N 3.05Å |
| 246 | Y | 88.1 | Confident | 88.5 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 38% | 0.384 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 172.6 | -178 | -104.3 | 0 | 0 | 0 | 112.3 | R5 G242 S243 S244 F249 K250 | R5-Y246 PolarHBondContact NH1-OH 3.1Å; G242-Y246 WeakPolarHBondContact O-CB 3.28Å; G242-Y246 PolarHBondContact O-N 3.48Å; S243-Y246 PolarHBondContact O-N 3.4Å; S244-Y246 VanDerWaalsContact C-N 3.29Å; S244-Y246 PolarHBondContact O-N 3.15Å; Y246-F249 PolarHBondContact O-N 2.67Å; Y246-K250 HydrophobicContact CD1-CG 4.33Å; Y246-K250 HydrophobicContact CE1-CG 3.86Å; Y246-K250 WeakPolarHBondContact O-CG 3.4Å; Y246-K250 PolarHBondContact O-N 2.84Å; Y246-K250 WeakPolarHBondContact OH-CE 3.11Å |
| 247 | R | 88.6 | Confident | 88 | Confident | 169 Ų | 169 | 68.3 Ų | 68.3 | 64% | 0.638 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 177 | -172 | 172.4 | 59.6 | -152.1 | -4.2 | 111.6 | S243 S244 V245 K250 R251 | S243-R247 PolarHBondContact O-N 3.12Å; S244-R247 WeakPolarHBondContact O-CB 3.21Å; S244-R247 PolarHBondContact O-N 3.07Å; S244-R247 VanDerWaalsContact O-N 3.08Å; V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 2.85Å; R247-K250 WeakPolarHBondContact O-CB 3.3Å; R247-K250 PolarHBondContact O-N 3.5Å; R247-R251 PolarHBondContact O-N 3.37Å |
| 248 | I | 88.5 | Confident | 87.4 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 173.5 | -60.7 | 166.3 | 0 | 0 | 0 | 110.3 | L177 E181 I185 S244 V245 K250 R251 W252 | L177-I248 HydrophobicContact CD2-CG2 3.41Å; L177-I248 VanDerWaalsContact CD2-CG2 3.41Å; E181-I248 HydrophobicContact CB-CD1 3.64Å; E181-I248 HydrophobicContact CG-CD1 3.59Å; E181-I248 HydrophobicContact CG-CG1 4.06Å; I185-I248 HydrophobicContact CD1-CD1 4.21Å; I185-I248 HydrophobicContact CG1-CD1 4.43Å; S244-I248 WeakPolarHBondContact O-CG1 3.05Å; S244-I248 PolarHBondContact O-N 3.28Å; S244-I248 VanDerWaalsContact O-N 3.14Å; V245-I248 HydrophobicContact CG2-CD1 4.45Å; V245-I248 WeakPolarHBondContact O-CB 3.39Å; V245-I248 PolarHBondContact O-N 2.88Å; I248-K250 VanDerWaalsContact C-N 3.26Å; I248-K250 PolarHBondContact O-N 3.01Å; I248-R251 WeakPolarHBondContact O-CB 2.89Å; I248-R251 PolarHBondContact O-N 2.98Å; I248-R251 VanDerWaalsContact O-N 3.1Å; I248-W252 PolarHBondContact O-N 2.83Å |
| 249 | F | 86.1 | Confident | 86.8 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 45% | 0.452 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 178.1 | -178.5 | -99.7 | 0 | 0 | 0 | 111.8 | V245 Y246 W252 Q253 | V245-F249 WeakPolarHBondContact O-CB 3.3Å; V245-F249 PolarHBondContact O-N 3.05Å; Y246-F249 PolarHBondContact O-N 2.67Å; F249-W252 HydrophobicContact CD2-CE3 4.12Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CZ-CE3 4.43Å; F249-W252 HydrophobicContact CZ-CZ3 4.25Å; F249-W252 PolarHBondContact O-N 3.09Å; F249-Q253 VanDerWaalsContact O-CB 3.27Å; F249-Q253 WeakPolarHBondContact O-CB 3.45Å; F249-Q253 PolarHBondContact O-N 3.49Å |
| 250 | K | 85.7 | Confident | 86.4 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.2 | -81.9 | -60.7 | -132.2 | 166.3 | 0 | 112.8 | Y246 R247 I248 Q253 A254 | Y246-K250 HydrophobicContact CD1-CG 4.33Å; Y246-K250 HydrophobicContact CE1-CG 3.86Å; Y246-K250 WeakPolarHBondContact O-CG 3.4Å; Y246-K250 PolarHBondContact O-N 2.84Å; Y246-K250 WeakPolarHBondContact OH-CE 3.11Å; R247-K250 WeakPolarHBondContact O-CB 3.3Å; R247-K250 PolarHBondContact O-N 3.5Å; I248-K250 VanDerWaalsContact C-N 3.26Å; I248-K250 PolarHBondContact O-N 3.01Å; K250-Q253 PolarHBondContact O-N 3.1Å; K250-A254 PolarHBondContact O-N 3.46Å |
| 251 | R | 87.9 | Confident | 86.2 | Confident | 119 Ų | 119 | 62 Ų | 62 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 176.1 | -164.6 | -167.5 | 173.6 | -172.6 | -3.6 | 111 | I175 R247 I248 A254 | I175-R251 HydrophobicContact CD1-CB 4.24Å; I175-R251 HydrophobicContact CD1-CG 3.52Å; R247-R251 PolarHBondContact O-N 3.37Å; I248-R251 WeakPolarHBondContact O-CB 2.89Å; I248-R251 PolarHBondContact O-N 2.98Å; I248-R251 VanDerWaalsContact O-N 3.1Å; R251-A254 PolarHBondContact O-N 3.44Å |
| 252 | W | 86.5 | Confident | 86 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.6 | 175.1 | 89.5 | 0 | 0 | 0 | 112 | T166 W172 I248 F249 A254 V255 N256 | T166-W252 HydrophobicContact CG2-CH2 4.44Å; W172-W252 HydrophobicContact CD2-CH2 4.34Å; W172-W252 AromaticContact CD2-CZ2 3.59Å; W172-W252 HydrophobicContact CD2-CZ2 3.59Å; W172-W252 AromaticContact CE2-CZ2 3.73Å; W172-W252 AromaticContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CG-CZ2 4.13Å; W172-W252 HydrophobicContact CH2-CH2 4.18Å; W172-W252 HydrophobicContact CH2-CZ2 4.12Å; W172-W252 AromaticContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CZ2 4.02Å; W172-W252 HydrophobicContact CZ3-CH2 4.47Å; W172-W252 AromaticContact CZ3-CZ2 3.98Å; W172-W252 HydrophobicContact CZ3-CZ2 3.98Å; I248-W252 PolarHBondContact O-N 2.83Å; F249-W252 HydrophobicContact CD2-CE3 4.12Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CZ-CE3 4.43Å; F249-W252 HydrophobicContact CZ-CZ3 4.25Å; F249-W252 PolarHBondContact O-N 3.09Å; W252-A254 VanDerWaalsContact C-N 3.29Å; W252-A254 PolarHBondContact O-N 3.37Å; W252-V255 PolarHBondContact O-N 3.33Å; W252-V255 VanDerWaalsContact O-N 3.16Å; W252-N256 HydrophobicContact CD2-CB 4.37Å; W252-N256 VanDerWaalsContact CE2-ND2 3.3Å; W252-N256 HydrophobicContact CH2-CB 4.28Å; W252-N256 HydrophobicContact CZ2-CB 3.94Å; W252-N256 PolarHBondContact NE1-ND2 2.93Å; W252-N256 PolarHBondContact O-N 3.43Å; W252-N256 PolarHBondContact O-ND2 2.69Å |
| 253 | Q | 83.6 | Confident | 85.9 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 177.6 | -178.5 | 175.4 | 45.6 | 0 | 0 | 110.7 | F249 K250 V255 N256 Q257 | F249-Q253 VanDerWaalsContact O-CB 3.27Å; F249-Q253 WeakPolarHBondContact O-CB 3.45Å; F249-Q253 PolarHBondContact O-N 3.49Å; K250-Q253 PolarHBondContact O-N 3.1Å; Q253-V255 PolarHBondContact O-N 3.27Å; Q253-N256 PolarHBondContact O-N 2.84Å; Q253-Q257 WeakPolarHBondContact O-CB 3.43Å; Q253-Q257 PolarHBondContact O-N 3.09Å |
| 254 | A | 83.5 | Confident | 85.8 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -34 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K250 R251 W252 | K250-A254 PolarHBondContact O-N 3.46Å; R251-A254 PolarHBondContact O-N 3.44Å; W252-A254 VanDerWaalsContact C-N 3.29Å; W252-A254 PolarHBondContact O-N 3.37Å |
| 255 | V | 81.6 | Confident | 85.5 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -85.6 | -33.3 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | K167 Q173 I175 W252 Q253 | K167-V255 PolarHBondContact NZ-O 3.38Å; K167-V255 VanDerWaalsContact NZ-O 3.1Å; Q173-V255 HydrophobicContact CB-CG1 3.82Å; Q173-V255 HydrophobicContact CG-CG1 4.43Å; I175-V255 HydrophobicContact CD1-CG2 3.91Å; W252-V255 PolarHBondContact O-N 3.33Å; W252-V255 VanDerWaalsContact O-N 3.16Å; Q253-V255 PolarHBondContact O-N 3.27Å |
| 256 | N | 84.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -98.5 | -0.9 | -174.6 | -71.3 | -56.6 | 0 | 0 | 0 | 114.3 | K167 W172 Q173 W252 Q253 | K167-N256 WeakPolarHBondContact CG-O 3.43Å; K167-N256 PolarHBondContact N-O 3.09Å; W172-N256 WeakPolarHBondContact CA-OD1 3.5Å; Q173-N256 PolarHBondContact N-OD1 3.37Å; Q173-N256 PolarHBondContact O-ND2 3.31Å; W252-N256 HydrophobicContact CD2-CB 4.37Å; W252-N256 VanDerWaalsContact CE2-ND2 3.3Å; W252-N256 HydrophobicContact CH2-CB 4.28Å; W252-N256 HydrophobicContact CZ2-CB 3.94Å; W252-N256 PolarHBondContact NE1-ND2 2.93Å; W252-N256 PolarHBondContact O-N 3.43Å; W252-N256 PolarHBondContact O-ND2 2.69Å; Q253-N256 PolarHBondContact O-N 2.84Å |
| 257 | Q | 83 | Confident | 84.4 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.3 | 173.8 | -170.6 | 155.5 | 34.4 | 0 | 0 | 110.9 | A163 Q253 W259 | A163-Q257 HydrophobicContact CB-CG 3.76Å; Q253-Q257 WeakPolarHBondContact O-CB 3.43Å; Q253-Q257 PolarHBondContact O-N 3.09Å; Q257-W259 HydrophobicContact CG-CZ2 4.28Å |
| 258 | Q | 79.4 | Confident | 83.6 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 42% | 0.416 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131 | 171.6 | -62.4 | -173.7 | -62.2 | 0 | 0 | 110 | A163 I164 S165 K167 | A163-Q258 WeakPolarHBondContact CA-O 3.47Å; I164-Q258 PolarHBondContact N-O 3.1Å; I164-Q258 VanDerWaalsContact N-O 3.09Å; S165-Q258 WeakPolarHBondContact O-CB 3.44Å; S165-Q258 PolarHBondContact O-N 3.37Å; K167-Q258 HydrophobicContact CB-CG 4.32Å; K167-Q258 HydrophobicContact CD-CG 4.45Å; K167-Q258 HydrophobicContact CG-CG 3.35Å |
| 259 | W | 82.6 | Confident | 82.6 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.6 | 177.1 | -57.4 | 92.8 | 0 | 0 | 0 | 108.4 | Q137 I141 V161 L162 A163 Q257 M341 | Q137-W259 PolarHBondContact NE2-O 3.35Å; I141-W259 HydrophobicContact CD1-CB 4.25Å; V161-W259 HydrophobicContact CG1-CB 4.03Å; V161-W259 HydrophobicContact CG1-CE3 3.93Å; L162-W259 WeakPolarHBondContact O-CA 3.49Å; A163-W259 HydrophobicContact CB-CE3 3.97Å; A163-W259 HydrophobicContact CB-CH2 4.32Å; A163-W259 HydrophobicContact CB-CZ3 3.84Å; Q257-W259 HydrophobicContact CG-CZ2 4.28Å; W259-M341 HydrophobicContact CH2-CE 4.25Å; W259-M341 HydrophobicContact CZ2-CE 3.4Å; W259-M341 VanDerWaalsContact CZ2-CE 3.4Å |
| 260 | K | 85.2 | Confident | 81.7 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.8 | 166.4 | 176.2 | 170.3 | -175.5 | 172.5 | 0 | 109.7 | L162 I164 L262 | L162-K260 PolarHBondContact N-O 3.47Å; L162-K260 PolarHBondContact O-N 3.3Å; I164-K260 HydrophobicContact CD1-CB 3.1Å; I164-K260 HydrophobicContact CD1-CD 3.59Å; I164-K260 HydrophobicContact CD1-CG 3.96Å; I164-K260 HydrophobicContact CG1-CB 3.6Å; I164-K260 HydrophobicContact CG1-CD 4.39Å; K260-L262 HydrophobicContact CG-CD1 4.41Å |
| 261 | V | 87.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.6 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | L123 P125 Q137 L140 I141 V161 | L123-V261 HydrophobicContact CD1-CB 4.16Å; P125-V261 HydrophobicContact CB-CG1 3.72Å; Q137-V261 HydrophobicContact CG-CB 4.32Å; Q137-V261 HydrophobicContact CG-CG2 3.95Å; L140-V261 HydrophobicContact CD2-CB 4.33Å; L140-V261 HydrophobicContact CD2-CG1 3.49Å; L140-V261 VanDerWaalsContact CD2-CG1 3.49Å; L140-V261 HydrophobicContact CD2-CG2 3.96Å; I141-V261 HydrophobicContact CD1-CG2 3.69Å; I141-V261 HydrophobicContact CG1-CG2 4.07Å; V161-V261 HydrophobicContact CG1-CG2 4.42Å; V161-V261 HydrophobicContact CG2-CG2 4.17Å |
| 262 | L | 86.4 | Confident | 78.7 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 142.6 | 175.1 | -90.4 | 60.8 | 0 | 0 | 0 | 110.4 | Q160 L162 K260 | Q160-L262 HydrophobicContact CB-CB 3.96Å; Q160-L262 PolarHBondContact O-N 3.4Å; L162-L262 HydrophobicContact CB-CD1 4.39Å; L162-L262 HydrophobicContact CD1-CD1 3.3Å; L162-L262 HydrophobicContact CD1-CD2 3.51Å; L162-L262 HydrophobicContact CD1-CG 3.97Å; L162-L262 HydrophobicContact CG-CD1 4.44Å; K260-L262 HydrophobicContact CG-CD1 4.41Å |
| 263 | N | 88.7 | Confident | 77.1 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -67 | 135.6 | 166.9 | -78 | -28.5 | 0 | 0 | 0 | 110.2 | L123 S124 | L123-N263 WeakPolarHBondContact CA-OD1 3.43Å; L123-N263 WeakPolarHBondContact CB-OD1 3.26Å; L123-N263 VanDerWaalsContact CD2-OD1 3.3Å; L123-N263 WeakPolarHBondContact CD2-OD1 3.49Å; S124-N263 PolarHBondContact N-OD1 3.24Å |
| 264 | Y | 86.6 | Confident | 75.6 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 8% | 0.078 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 128 | 169 | -174.5 | -105.7 | 0 | 0 | 0 | 110.1 | S124 R127 F157 K266 D269 | S124-Y264 WeakPolarHBondContact O-CB 3.14Å; S124-Y264 PolarHBondContact O-N 3.42Å; R127-Y264 HydrophobicContact CB-CE1 4.35Å; R127-Y264 HydrophobicContact CG-CD1 4.1Å; R127-Y264 HydrophobicContact CG-CE1 3.5Å; R127-Y264 HydrophobicContact CG-CE2 4.13Å; R127-Y264 PolarHBondContact NE-OH 3.34Å; R127-Y264 VanDerWaalsContact NE-OH 3.15Å; R127-Y264 PolarHBondContact NH2-OH 2.86Å; F157-Y264 HydrophobicContact CD1-CD2 4.09Å; F157-Y264 HydrophobicContact CD1-CE2 4.41Å; F157-Y264 HydrophobicContact CD2-CE2 4.3Å; F157-Y264 AromaticContact CE1-CD2 3.37Å; F157-Y264 HydrophobicContact CE1-CD2 3.37Å; F157-Y264 AromaticContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CG 4.34Å; F157-Y264 HydrophobicContact CE2-CD2 4.14Å; F157-Y264 AromaticContact CE2-CE2 3.59Å; F157-Y264 HydrophobicContact CE2-CE2 3.59Å; F157-Y264 AromaticContact CZ-CD2 3.41Å; F157-Y264 HydrophobicContact CZ-CD2 3.41Å; F157-Y264 VanDerWaalsContact CZ-CD2 3.41Å; F157-Y264 AromaticContact CZ-CE2 3.26Å; F157-Y264 HydrophobicContact CZ-CE2 3.26Å; Y264-K266 HydrophobicContact CD1-CG 3.96Å; Y264-K266 HydrophobicContact CE1-CB 4.4Å; Y264-K266 HydrophobicContact CE1-CG 3.81Å; Y264-D269 PolarHBondContact OH-OD1 3.39Å; Y264-D269 VanDerWaalsContact OH-OD1 3.05Å; Y264-D269 PolarHBondContact OH-OD2 3.48Å |
| 265 | D | 83.9 | Confident | 73.9 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.353 | 43% | 0.425 | S | S | . | . | trans | -105.7 | 109.6 | 176.7 | -178.2 | -1.2 | 0 | 0 | 0 | 109.5 | T267 K268 | D265-T267 PolarHBondContact O-N 2.74Å; D265-T267 WeakPolarHBondContact OD1-CB 3.49Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.75Å; D265-T267 PolarHBondContact OD2-OG1 2.87Å; D265-K268 HydrophobicContact CB-CD 4.18Å; D265-K268 HydrophobicContact CB-CG 4.23Å; D265-K268 PolarHBondContact O-N 2.89Å | ||
| 266 | K | 79 | Confident | 72 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -25.4 | -179 | -69.2 | -170.9 | 169.5 | -146.2 | 0 | 113.1 | R127 D129 Y264 K268 D269 | R127-K266 PolarHBondContact O-NZ 2.85Å; D129-K266 IonicContact OD1-NZ 2.84Å; D129-K266 PolarHBondContact OD1-NZ 3.12Å; D129-K266 IonicContact OD2-NZ 3.75Å; D129-K266 PolarHBondContact OD2-NZ 3.35Å; Y264-K266 HydrophobicContact CD1-CG 3.96Å; Y264-K266 HydrophobicContact CE1-CB 4.4Å; Y264-K266 HydrophobicContact CE1-CG 3.81Å; K266-K268 PolarHBondContact O-N 2.84Å; K266-D269 PolarHBondContact O-N 3.1Å |
| 267 | T | 73.8 | Confident | 69.6 | Low | 93 Ų | 93 | 75.9 Ų | 75.9 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.1 | -23 | -177.1 | 65 | 0 | 0 | 0 | 0 | 112.6 | D265 D269 I270 G271 | D265-T267 PolarHBondContact O-N 2.74Å; D265-T267 WeakPolarHBondContact OD1-CB 3.49Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.75Å; D265-T267 PolarHBondContact OD2-OG1 2.87Å; T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.46Å; T267-I270 PolarHBondContact O-N 3.38Å; T267-G271 PolarHBondContact O-N 3.4Å |
| 268 | K | 70.3 | Confident | 67.5 | Low | 149 Ų | 149 | 80.5 Ų | 80.5 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.2 | -24 | 178.8 | -67.5 | -176.8 | 179.2 | 176.7 | 0 | 114 | D265 K266 | D265-K268 HydrophobicContact CB-CD 4.18Å; D265-K268 HydrophobicContact CB-CG 4.23Å; D265-K268 PolarHBondContact O-N 2.89Å; K266-K268 PolarHBondContact O-N 2.84Å |
| 269 | D | 68.7 | Low | 65.7 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 29% | 0.294 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -80.9 | -41.4 | 175.6 | -63.6 | -38.5 | 0 | 0 | 0 | 111.8 | R127 Y264 K266 T267 G271 G272 | R127-D269 IonicContact CZ-OD1 3.72Å; R127-D269 IonicContact CZ-OD2 3.68Å; R127-D269 VanDerWaalsContact CZ-OD2 3.23Å; R127-D269 IonicContact NE-OD2 2.67Å; R127-D269 IonicContact NH1-OD1 3.48Å; R127-D269 PolarHBondContact NH1-OD1 3.32Å; R127-D269 VanDerWaalsContact NH1-OD1 3.1Å; R127-D269 IonicContact NH1-OD2 3.22Å; R127-D269 PolarHBondContact NH1-OD2 2.87Å; R127-D269 IonicContact NH2-OD1 3.23Å; R127-D269 PolarHBondContact NH2-OD1 3.26Å; R127-D269 IonicContact NH2-OD2 2.8Å; R127-D269 PolarHBondContact NH2-OD2 3.33Å; Y264-D269 PolarHBondContact OH-OD1 3.39Å; Y264-D269 VanDerWaalsContact OH-OD1 3.05Å; Y264-D269 PolarHBondContact OH-OD2 3.48Å; K266-D269 PolarHBondContact O-N 3.1Å; T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.46Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.28Å; D269-G272 PolarHBondContact O-N 2.65Å; D269-G272 VanDerWaalsContact O-N 3.09Å |
| 270 | I | 66.4 | Low | 63.3 | Low | 125 Ų | 125 | 82.6 Ų | 82.6 | 64% | 0.641 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.7 | -29.8 | -173 | -58.2 | 174.5 | 0 | 0 | 0 | 111.1 | T267 G272 | T267-I270 PolarHBondContact O-N 3.38Å; I270-G272 VanDerWaalsContact C-N 3.26Å; I270-G272 PolarHBondContact O-N 3.2Å |
| 271 | G | 58 | Low | 61 | Low | 64 Ų | 64 | 87.4 Ų | 87.4 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -10.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T267 D269 | T267-G271 PolarHBondContact O-N 3.4Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.28Å |
| 272 | G | 52.5 | Low | 58.5 | Low | 61 Ų | 61 | 95.9 Ų | 95.9 | 63% | 0.629 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -26 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D269 I270 | D269-G272 PolarHBondContact O-N 2.65Å; D269-G272 VanDerWaalsContact O-N 3.09Å; I270-G272 VanDerWaalsContact C-N 3.26Å; I270-G272 PolarHBondContact O-N 3.2Å |
| 273 | D | 54.4 | Low | 55.9 | Low | 149 Ų | 149 | 96.1 Ų | 96.1 | 80% | 0.797 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -105.2 | -2.4 | -171.9 | -63.4 | -35.1 | 0 | 0 | 0 | 113.6 | G275 | D273-G275 PolarHBondContact O-N 3.02Š|
| 274 | A | 51.5 | Low | 53.4 | Low | 89 Ų | 89 | 98.9 Ų | 98.9 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | trans | -89.9 | 30.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 275 | G | 47.7 | Very low | 50.8 | Low | 80 Ų | 80 | 109.8 Ų | 109.8 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -111.7 | 46.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D273 | D273-G275 PolarHBondContact O-N 3.02Š|
| 276 | G | 41 | Very low | 48.3 | Very low | 76 Ų | 76 | 113 Ų | 113 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 178.5 | 106.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 277 | G | 36 | Very low | 46.1 | Very low | 67 Ų | 67 | 115.4 Ų | 115.4 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | 109.8 | 98.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 278 | T | 38.4 | Very low | 44 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | trans | 72.5 | 105.5 | 136.8 | 48.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 279 | A | 40.9 | Very low | 42.1 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | 59.9 | 102.7 | 124.6 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 280 | G | 32.8 | Very low | 40.2 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -150 | 82.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 281 | K | 37.3 | Very low | 39.4 | Very low | 206 Ų | 206 | 123 Ų | 123 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -74.4 | 118.3 | -177.6 | -165.3 | 178.3 | -174 | -172 | 0 | 109.5 | ||||
| 282 | L | 34.1 | Very low | 38.1 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | trans | -130.9 | 118 | 158.4 | -135.7 | 81.9 | 0 | 0 | 0 | 108.9 | ||||
| 283 | G | 32.4 | Very low | 37.1 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | -79.2 | 165.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 284 | P | 35.4 | Very low | 35.9 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -83.6 | 122.5 | 174.9 | 2.8 | 16.1 | 0 | 0 | 0 | 110.1 | T286 | P284-T286 PolarHBondContact O-N 2.58Š| ||
| 285 | R | 32.1 | Very low | 34.9 | Very low | 248 Ų | 248 | 125.8 Ų | 125.8 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | -81.1 | 111.5 | 172.9 | -157 | 175.8 | -179.3 | -163.7 | 0.2 | 108.9 | ||||
| 286 | T | 32.4 | Very low | 34 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -62.5 | 136.7 | 167.6 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | P284 | P284-T286 PolarHBondContact O-N 2.58Š| ||
| 287 | S | 31.3 | Very low | 33.5 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -130 | 122.7 | 155.9 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 288 | R | 30.7 | Very low | 33.4 | Very low | 244 Ų | 244 | 139.2 Ų | 139.2 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -79.1 | 155.4 | -170.4 | -130.7 | 174.5 | -163.5 | 169 | 2.6 | 111.7 | ||||
| 289 | T | 30.3 | Very low | 34.1 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 87% | 0.865 | 84% | 0.837 | S | S | * | * | trans | -57.6 | 157.3 | 170.7 | 45.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 290 | G | 29.5 | Very low | 34 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | trans | -177.5 | 152 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 291 | P | 48.2 | Very low | 33.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | -129.4 | 176.9 | -116.4 | 40.8 | -28 | 0 | 0 | 0 | 116.3 | |||||
| 292 | T | 30.4 | Very low | 33.7 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | 161.3 | 150.5 | 151.2 | 30.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 293 | S | 31.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | cis | -177.1 | 149.3 | -20.9 | 40.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 294 | G | 30.2 | Very low | 33.4 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | trans | 96.1 | 103.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 295 | A | 29.8 | Very low | 33.3 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | 88.9 | 109.3 | 70.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 296 | T | 29.3 | Very low | 33.3 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | trans | 52.4 | 120.6 | 139.9 | 46 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 297 | S | 30.8 | Very low | 33.7 | Very low | 125 Ų | 125 | 146 Ų | 146 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | -174.3 | 148.7 | 114.3 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 298 | R | 33.7 | Very low | 34 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | trans | -71.9 | 173.9 | -171.9 | -103.2 | 177.1 | 172 | 179.8 | -2.9 | 115.9 | ||||
| 299 | P | 53.3 | Low | 34.2 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | trans | -90.8 | 177.6 | -170 | 39 | -35.3 | 0 | 0 | 0 | 113.4 | ||||
| 300 | P | 39.3 | Very low | 34.6 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | -142 | 170 | 124.8 | 34.3 | -17.5 | 0 | 0 | 0 | 115.3 | |||||
| 301 | A | 30.7 | Very low | 35.4 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 79% | 0.785 | 84% | 0.844 | S | S | * | * | trans | -91.1 | 169.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 302 | A | 31.5 | Very low | 35.4 | Very low | 90 Ų | 90 | 154.6 Ų | 154.6 | 74% | 0.744 | 85% | 0.847 | S | S | * | * | trans | 97.2 | 130.8 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 303 | Q | 30.6 | Very low | 36.2 | Very low | 185 Ų | 185 | 153 Ų | 153 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | 79.8 | 105.8 | 150.3 | -75.2 | 173.7 | -19.6 | 0 | 0 | 120 | ||||
| 304 | R | 30.3 | Very low | 36.9 | Very low | 246 Ų | 246 | 150 Ų | 150 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | -170.6 | 125.9 | 96.4 | -103.4 | 174.4 | 179.9 | 173.3 | 0.4 | 112.2 | R306 | R304-R306 PolarHBondContact O-N 3.48Š| |||
| 305 | M | 34.4 | Very low | 37.8 | Very low | 192 Ų | 192 | 156.1 Ų | 156.1 | 95% | 0.946 | 83% | 0.828 | S | S | * | * | trans | -54.7 | 127 | 161.1 | -102 | 171.5 | 165.6 | 0 | 0 | 110.3 | ||||
| 306 | R | 31.6 | Very low | 39.1 | Very low | 244 Ų | 244 | 155.7 Ų | 155.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -139 | 121.1 | 147 | -95.7 | -175.8 | 179.1 | 147.8 | -1.3 | 108.7 | R304 L308 | R304-R306 PolarHBondContact O-N 3.48Å; R306-L308 PolarHBondContact O-N 3.42Å | ||
| 307 | T | 41.2 | Very low | 40.3 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -58.3 | 117.6 | 172 | 33.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 308 | L | 35.9 | Very low | 41.3 | Very low | 175 Ų | 175 | 154.4 Ų | 154.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -141.2 | 127.8 | 155.9 | -75.8 | -179.2 | 0 | 0 | 0 | 110.6 | R306 | R306-L308 PolarHBondContact O-N 3.42Š| ||
| 309 | L | 36.1 | Very low | 42.2 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | -56 | 150.9 | -178.2 | -152.4 | 70.4 | 0 | 0 | 0 | 112.4 | ||||
| 310 | P | 39.3 | Very low | 42 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -85.3 | 119.4 | -162 | 19.8 | -8.7 | 0 | 0 | 0 | 114.2 | R312 | P310-R312 VanDerWaalsContact C-N 3.33Å; P310-R312 PolarHBondContact O-N 3.16Å | ||
| 311 | Q | 45.6 | Very low | 42.5 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -74.6 | 78.1 | 162.3 | -85.5 | -157 | -6.6 | 0 | 0 | 111.2 | ||||
| 312 | R | 48.7 | Very low | 43.2 | Very low | 228 Ų | 228 | 146.3 Ų | 146.3 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -135.8 | 21.4 | 174 | -106.1 | -173.9 | -177 | -168.1 | 1.3 | 115.9 | P310 | P310-R312 VanDerWaalsContact C-N 3.33Å; P310-R312 PolarHBondContact O-N 3.16Å | ||
| 313 | C | 46.8 | Very low | 44 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -99.8 | 1.3 | -175.6 | -139.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 314 | G | 44.9 | Very low | 44.4 | Very low | 52 Ų | 52 | 147.5 Ų | 147.5 | 54% | 0.536 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -92 | -29.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 315 | Y | 50.2 | Low | 45 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -83.2 | -25.2 | -169.9 | -101 | -89.1 | 0 | 0 | 0 | 114 | H319 | Y315-H319 PolarHBondContact O-N 3.43Å |
| 316 | T | 56.6 | Low | 45.2 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 52% | 0.521 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -73.9 | -31.2 | -178.8 | 21.8 | 0 | 0 | 0 | 0 | 113.1 | L320 | T316-L320 WeakPolarHBondContact O-CD1 3.38Å; T316-L320 PolarHBondContact O-N 3.49Å; T316-L320 VanDerWaalsContact O-N 3.12Å |
| 317 | I | 54 | Low | 45.2 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 55% | 0.549 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -75.2 | -38.6 | -178.9 | -60.4 | 175 | 0 | 0 | 0 | 111.4 | H319 L320 L321 | I317-H319 VanDerWaalsContact C-N 3.31Å; I317-H319 PolarHBondContact O-N 2.83Å; I317-L320 PolarHBondContact O-N 3.3Å; I317-L321 HydrophobicContact CG2-CD1 4.18Å; I317-L321 WeakPolarHBondContact O-CG 3.27Å; I317-L321 PolarHBondContact O-N 2.83Å |
| 318 | L | 53.4 | Low | 44.7 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -68.1 | -31.5 | 175.6 | -76.9 | 167.9 | 0 | 0 | 0 | 112.3 | G322 | L318-G322 PolarHBondContact O-N 3.45Å |
| 319 | H | 50.9 | Low | 44.4 | Very low | 139 Ų | 139 | 134 Ų | 134 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -75 | -33.9 | 176.2 | -133.2 | -93.1 | 0 | 0 | 0 | 112.7 | Y315 I317 G322 Q323 | Y315-H319 PolarHBondContact O-N 3.43Å; I317-H319 VanDerWaalsContact C-N 3.31Å; I317-H319 PolarHBondContact O-N 2.83Å; H319-G322 PolarHBondContact O-N 2.97Å; H319-Q323 WeakPolarHBondContact O-CG 3.21Å; H319-Q323 PolarHBondContact O-N 3.1Å |
| 320 | L | 50.3 | Low | 44.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 62% | 0.618 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -69 | -35.8 | 173 | -97.2 | 143.2 | 0 | 0 | 0 | 112.5 | T316 I317 G322 Q323 | T316-L320 WeakPolarHBondContact O-CD1 3.38Å; T316-L320 PolarHBondContact O-N 3.49Å; T316-L320 VanDerWaalsContact O-N 3.12Å; I317-L320 PolarHBondContact O-N 3.3Å; L320-G322 VanDerWaalsContact C-N 3.3Å; L320-G322 PolarHBondContact O-N 3.25Å; L320-Q323 PolarHBondContact O-N 3.05Å |
| 321 | L | 48.7 | Very low | 43.8 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 60% | 0.597 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -73 | -21.1 | 175.1 | -73 | 167.9 | 0 | 0 | 0 | 113.4 | I317 | I317-L321 HydrophobicContact CG2-CD1 4.18Å; I317-L321 WeakPolarHBondContact O-CG 3.27Å; I317-L321 PolarHBondContact O-N 2.83Å |
| 322 | G | 46.5 | Very low | 43.4 | Very low | 41 Ų | 41 | 133.3 Ų | 133.3 | 42% | 0.423 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -74.8 | -28 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | L318 H319 L320 | L318-G322 PolarHBondContact O-N 3.45Å; H319-G322 PolarHBondContact O-N 2.97Å; L320-G322 VanDerWaalsContact C-N 3.3Å; L320-G322 PolarHBondContact O-N 3.25Å |
| 323 | Q | 47 | Very low | 42.5 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -86.6 | -10 | -177.1 | -68.2 | -111.5 | -28.4 | 0 | 0 | 113.9 | H319 L320 | H319-Q323 WeakPolarHBondContact O-CG 3.21Å; H319-Q323 PolarHBondContact O-N 3.1Å; L320-Q323 PolarHBondContact O-N 3.05Å |
| 324 | L | 40.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 132 Ų | 132 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 5.8 | 174.8 | -74.9 | 163.5 | 0 | 0 | 0 | 113.4 | P326 | L324-P326 WeakPolarHBondContact O-CD 3.47Š|
| 325 | R | 42.2 | Very low | 41.1 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -78.7 | 113.7 | 171.4 | -173.8 | 178.1 | -72.1 | 144.4 | -2.5 | 108.5 | ||
| 326 | P | 37.8 | Very low | 40.4 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | trans | -65.2 | 150.8 | 176.4 | 26.3 | -31.5 | 0 | 0 | 0 | 110.4 | L324 D328 | L324-P326 WeakPolarHBondContact O-CD 3.47Å; P326-D328 PolarHBondContact O-N 3.2Å | ||
| 327 | P | 32.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | -69.4 | 127.2 | -179.8 | 28 | -32 | 0 | 0 | 0 | 110.4 | T329 | P327-T329 PolarHBondContact O-N 3.44Š| ||
| 328 | D | 31.4 | Very low | 38.7 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | -61 | 107.2 | 171.5 | -76.2 | -54.1 | 0 | 0 | 0 | 109.8 | P326 R330 | P326-D328 PolarHBondContact O-N 3.2Å; D328-R330 PolarHBondContact O-N 3.32Å; D328-R330 VanDerWaalsContact O-N 3.16Å | ||
| 329 | T | 29.2 | Very low | 38.3 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 86% | 0.859 | 71% | 0.706 | S | S | * | * | trans | -74.9 | 102.1 | 163 | 29.1 | 0 | 0 | 0 | 0 | 107.9 | P327 S331 | P327-T329 PolarHBondContact O-N 3.44Å; T329-S331 PolarHBondContact O-N 3.13Å | ||
| 330 | R | 34.8 | Very low | 37.8 | Very low | 252 Ų | 252 | 129.2 Ų | 129.2 | 95% | 0.951 | 70% | 0.699 | S | S | * | * | trans | -62.3 | 95.9 | 169.4 | -164.9 | 176.3 | -177 | 170.5 | -0.5 | 109.1 | D328 | D328-R330 PolarHBondContact O-N 3.32Å; D328-R330 VanDerWaalsContact O-N 3.16Å | ||
| 331 | S | 28.1 | Very low | 37.6 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | trans | -161.6 | 138.8 | 156.4 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | T329 | T329-S331 PolarHBondContact O-N 3.13Š| ||
| 332 | S | 37.6 | Very low | 37.1 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -35.8 | 121.8 | -177.6 | 53.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 333 | S | 29 | Very low | 36.9 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | -179.6 | 91.5 | 126.1 | 60.1 | 0 | 0 | 0 | 0 | 108.4 | S335 | S333-S335 PolarHBondContact O-N 3.04Š| |||
| 334 | H | 30.4 | Very low | 36.3 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -74.5 | 71.7 | 176.7 | -143.7 | -87.5 | 0 | 0 | 0 | 109.3 | G336 | H334-G336 PolarHBondContact O-N 3.5Š| ||
| 335 | S | 32.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | trans | -73.6 | 77.8 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | S333 R337 | S333-S335 PolarHBondContact O-N 3.04Å; S335-R337 PolarHBondContact O-N 2.92Å | ||
| 336 | G | 34.3 | Very low | 35.6 | Very low | 37 Ų | 37 | 131 Ų | 131 | 38% | 0.381 | 72% | 0.723 | S | S | . | * | trans | -52.1 | 130.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | H334 E338 | H334-G336 PolarHBondContact O-N 3.5Å; G336-E338 PolarHBondContact O-N 3.02Å | ||
| 337 | R | 37.9 | Very low | 35.5 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | trans | -64.6 | 89.4 | 169.6 | -64.3 | 171.1 | 75.7 | 95.1 | 4.3 | 106.7 | S335 V339 | S335-R337 PolarHBondContact O-N 2.92Å; R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 2.76Å | ||
| 338 | E | 37.6 | Very low | 35.7 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | -65 | 96.1 | 173.9 | -169.9 | 175.7 | -178.2 | 0 | 0 | 107.5 | G336 V340 | G336-E338 PolarHBondContact O-N 3.02Å; E338-V340 HydrophobicContact CG-CG2 4.01Å; E338-V340 PolarHBondContact O-N 3.47Å | ||
| 339 | V | 45.1 | Very low | 35.9 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 46% | 0.455 | 72% | 0.718 | S | S | . | * | trans | -90.8 | 94.3 | 167 | -176.6 | 0 | 0 | 0 | 0 | 104.8 | R337 M341 | R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 2.76Å; V339-M341 VanDerWaalsContact C-N 3.34Å; V339-M341 PolarHBondContact O-N 3.4Å | ||
| 340 | V | 40.2 | Very low | 36.3 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | trans | -62.1 | 100.1 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 107 | E338 R342 | E338-V340 HydrophobicContact CG-CG2 4.01Å; E338-V340 PolarHBondContact O-N 3.47Å; V340-R342 HydrophobicContact CG1-CG 4.17Å; V340-R342 PolarHBondContact O-N 3.4Å | ||
| 341 | M | 45.2 | Very low | 36.4 | Very low | 51 Ų | 51 | 123.9 Ų | 123.9 | 25% | 0.251 | 70% | 0.695 | S | S | . | * | trans | -86.8 | 84.6 | 175.8 | -163 | -179.9 | -65.5 | 0 | 0 | 107.3 | W259 V339 V343 | W259-M341 HydrophobicContact CH2-CE 4.25Å; W259-M341 HydrophobicContact CZ2-CE 3.4Å; W259-M341 VanDerWaalsContact CZ2-CE 3.4Å; V339-M341 VanDerWaalsContact C-N 3.34Å; V339-M341 PolarHBondContact O-N 3.4Å; M341-V343 HydrophobicContact CG-CG2 4.28Å; M341-V343 PolarHBondContact O-N 3.47Å | ||
| 342 | R | 40.2 | Very low | 37 | Very low | 211 Ų | 211 | 125 Ų | 125 | 80% | 0.796 | 69% | 0.691 | S | S | * | * | trans | -76 | 103.5 | 159.5 | -74.6 | -171.5 | 176.7 | 101.9 | 0.5 | 106.1 | V340 T344 | V340-R342 HydrophobicContact CG1-CG 4.17Å; V340-R342 PolarHBondContact O-N 3.4Å; R342-T344 VanDerWaalsContact C-N 3.3Å; R342-T344 PolarHBondContact O-N 3.38Å | ||
| 343 | V | 41.4 | Very low | 36.9 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 50% | 0.503 | 69% | 0.686 | S | S | . | * | trans | -65.1 | 98.2 | 166.4 | 172.4 | 0 | 0 | 0 | 0 | 106 | S145 M341 T345 | S145-V343 WeakPolarHBondContact OG-CG2 3.47Å; M341-V343 HydrophobicContact CG-CG2 4.28Å; M341-V343 PolarHBondContact O-N 3.47Å; V343-T345 VanDerWaalsContact C-N 3.28Å; V343-T345 HydrophobicContact CG1-CG2 4.01Å; V343-T345 PolarHBondContact O-N 3.37Å | ||
| 344 | T | 33.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | trans | -69 | 95.8 | 161.9 | 49.9 | 0 | 0 | 0 | 0 | 105.9 | R342 | R342-T344 VanDerWaalsContact C-N 3.3Å; R342-T344 PolarHBondContact O-N 3.38Å | ||
| 345 | T | 37.3 | Very low | 38.1 | Very low | 122 Ų | 122 | 122 Ų | 122 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | trans | -62.9 | 132.8 | 160.9 | 47 | 0 | 0 | 0 | 0 | 107.9 | V343 | V343-T345 VanDerWaalsContact C-N 3.28Å; V343-T345 HydrophobicContact CG1-CG2 4.01Å; V343-T345 PolarHBondContact O-N 3.37Å | ||
| 346 | V | 31.8 | Very low | 38.6 | Very low | 219 Ų | 219 | 123.1 Ų | 123.1 | 100% | 1.327 | 65% | 0.652 | S | S | * | * | trans | -13.2 | 0 | -179.8 | -165 | 0 | 0 | 0 | 0 | 116.6 |
Retrieved 346 of 346 residues in 395.4 ms
(Link to these results)