| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44 | Very low | 54.4 | Low | 244 Ų | 244 | 166.8 Ų | 166.8 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | 0 | 91.1 | 0 | -154.3 | 172.3 | -166.7 | 0 | 0 | 107.4 | |||||
| 2 | L | 54 | Low | 54.6 | Low | 176 Ų | 176 | 159.6 Ų | 159.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -140.8 | 134.9 | 175.9 | -89.7 | 165.8 | 0 | 0 | 0 | 107.2 | ||||
| 3 | L | 58.1 | Low | 54.7 | Low | 164 Ų | 164 | 157.3 Ų | 157.3 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -84.5 | 136.2 | -147.4 | -72.5 | 147.6 | 0 | 0 | 0 | 114.4 | ||||
| 4 | K | 46.5 | Very low | 54.8 | Low | 184 Ų | 184 | 153.9 Ų | 153.9 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | 29.1 | 96.1 | 141.6 | -97.5 | 175.7 | 170.7 | 174.4 | 0 | 117.2 | S6 | K4-S6 VanDerWaalsContact C-N 3.34Å; K4-S6 PolarHBondContact O-N 3.1Å | ||
| 5 | S | 58.4 | Low | 54.8 | Low | 131 Ų | 131 | 152.1 Ų | 152.1 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -88.8 | 70.7 | 154.6 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | S | 57.8 | Low | 54.9 | Low | 89 Ų | 89 | 153.9 Ų | 153.9 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | trans | -100.6 | 131.4 | 169.6 | -53 | 0 | 0 | 0 | 0 | 108.2 | K4 | K4-S6 VanDerWaalsContact C-N 3.34Å; K4-S6 PolarHBondContact O-N 3.1Å | ||
| 7 | K | 57.3 | Low | 55 | Low | 194 Ų | 194 | 150.8 Ų | 150.8 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | 96.2 | 41.6 | 161.4 | -137.9 | 172.3 | -169.3 | 175.4 | 0 | 118.5 | ||||
| 8 | V | 57.3 | Low | 55 | Low | 133 Ų | 133 | 150.4 Ų | 150.4 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -122.7 | 72.9 | 157.2 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 9 | R | 56.4 | Low | 54.9 | Low | 224 Ų | 224 | 151.7 Ų | 151.7 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -148.6 | -13.4 | 170.9 | -141.4 | 173.6 | -175.4 | 151.3 | 0.7 | 114.2 | ||
| 10 | S | 55.2 | Low | 55.1 | Low | 82 Ų | 82 | 148.4 Ų | 148.4 | 57% | 0.573 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -98.8 | -1 | 179.7 | 62.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 11 | R | 54 | Low | 55.2 | Low | 214 Ų | 214 | 148.1 Ų | 148.1 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -87.2 | -26 | 173.7 | -114.7 | -178.9 | 179.7 | 161.3 | 0.2 | 112.8 | Q15 | R11-Q15 PolarHBondContact O-N 3.43Å |
| 12 | D | 56.2 | Low | 55.9 | Low | 80 Ų | 80 | 145.2 Ų | 145.2 | 43% | 0.428 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -85.3 | -13.7 | -175.5 | -59.2 | -23.3 | 0 | 0 | 0 | 113.6 | R16 | D12-R16 PolarHBondContact O-NE 3.35Å |
| 13 | E | 56.2 | Low | 56.2 | Low | 130 Ų | 130 | 142.9 Ų | 142.9 | 61% | 0.607 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -78.5 | -38.7 | 170 | -79.7 | 178.3 | 153.2 | 0 | 0 | 111.5 | Q15 R16 N17 | E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 3.17Å; E13-R16 PolarHBondContact O-N 3.03Å; E13-N17 PolarHBondContact O-N 2.93Å |
| 14 | N | 56.4 | Low | 56.3 | Low | 110 Ų | 110 | 139.2 Ų | 139.2 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -72.1 | -27.6 | 176.3 | -107.5 | -3.3 | 0 | 0 | 0 | 113 | R16 N17 L18 | N14-R16 VanDerWaalsContact C-N 3.33Å; N14-N17 PolarHBondContact O-N 3.16Å; N14-L18 PolarHBondContact O-N 3.48Å; N14-L18 VanDerWaalsContact O-N 3.16Å |
| 15 | Q | 55 | Low | 57.4 | Low | 127 Ų | 127 | 132 Ų | 132 | 59% | 0.593 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75 | -23.4 | 174.9 | -148.6 | 175.8 | 32.9 | 0 | 0 | 112.4 | R11 E13 F19 | R11-Q15 PolarHBondContact O-N 3.43Å; E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 3.17Å; Q15-F19 WeakPolarHBondContact O-CD2 3.42Å |
| 16 | R | 56.5 | Low | 58.3 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 68% | 0.683 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.8 | -33 | 169.6 | -85.1 | -176.8 | -94.2 | 179.9 | -8 | 113 | D12 E13 N14 F19 S20 | D12-R16 PolarHBondContact O-NE 3.35Å; E13-R16 PolarHBondContact O-N 3.03Å; N14-R16 VanDerWaalsContact C-N 3.33Å; R16-F19 PolarHBondContact O-N 3.31Å; R16-S20 WeakPolarHBondContact O-CB 3.36Å; R16-S20 PolarHBondContact O-N 3.39Å |
| 17 | N | 56.2 | Low | 59.2 | Low | 100 Ų | 100 | 135.9 Ų | 135.9 | 54% | 0.535 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -77.3 | -26.1 | 179 | -70 | -12.3 | 0 | 0 | 0 | 113.8 | E13 N14 F19 | E13-N17 PolarHBondContact O-N 2.93Å; N14-N17 PolarHBondContact O-N 3.16Å; N17-F19 VanDerWaalsContact C-N 3.3Å; N17-F19 PolarHBondContact O-N 3.31Å |
| 18 | L | 55.3 | Low | 60 | Low | 145 Ų | 145 | 132.5 Ų | 132.5 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.3 | -17.7 | 173.7 | -95.7 | 142.1 | 0 | 0 | 0 | 114.2 | N14 | N14-L18 PolarHBondContact O-N 3.48Å; N14-L18 VanDerWaalsContact O-N 3.16Å |
| 19 | F | 53.4 | Low | 60.8 | Low | 175 Ų | 175 | 131.3 Ų | 131.3 | 77% | 0.768 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -105.2 | -4.7 | 178.4 | -80.2 | -79.2 | 0 | 0 | 0 | 114.2 | Q15 R16 N17 | Q15-F19 WeakPolarHBondContact O-CD2 3.42Å; R16-F19 PolarHBondContact O-N 3.31Å; N17-F19 VanDerWaalsContact C-N 3.3Å; N17-F19 PolarHBondContact O-N 3.31Å |
| 20 | S | 57.1 | Low | 61.9 | Low | 84 Ų | 84 | 124.2 Ų | 124.2 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -102 | -21.2 | -175.4 | -166.9 | 0 | 0 | 0 | 0 | 114.9 | R16 | R16-S20 WeakPolarHBondContact O-CB 3.36Å; R16-S20 PolarHBondContact O-N 3.39Å |
| 21 | D | 59.2 | Low | 63.2 | Low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -100.1 | 6.1 | -171.3 | -83.3 | -11 | 0 | 0 | 0 | 115.5 | ||
| 22 | K | 57.5 | Low | 64.4 | Low | 183 Ų | 183 | 122 Ų | 122 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | trans | -129.7 | 79.3 | 165.1 | -75.2 | -170 | 177.7 | -174 | 0 | 109.4 | I24 | K22-I24 PolarHBondContact O-N 2.67Š| ||
| 23 | C | 60 | Low | 65.6 | Low | 128 Ų | 128 | 126 Ų | 126 | 87% | 0.865 | 63% | 0.634 | S | S | * | * | trans | -58.2 | 96.9 | 153.8 | -153.1 | 0 | 0 | 0 | 0 | 105.8 | G25 | C23-G25 PolarHBondContact O-N 2.94Å; C23-G25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | I | 60.1 | Low | 66.9 | Low | 87 Ų | 87 | 124.5 Ų | 124.5 | 45% | 0.446 | 63% | 0.627 | S | S | . | * | trans | -50.2 | 120.9 | 175.9 | -72.7 | 167.1 | 0 | 0 | 0 | 106.3 | K22 D26 E28 L29 | K22-I24 PolarHBondContact O-N 2.67Å; I24-D26 PolarHBondContact O-N 3.45Å; I24-E28 HydrophobicContact CG2-CB 3.72Å; I24-L29 HydrophobicContact CG2-CB 4.26Å; I24-L29 HydrophobicContact CG2-CD1 4.07Å | ||
| 25 | G | 69.3 | Low | 67.8 | Low | 32 Ų | 32 | 123.1 Ų | 123.1 | 33% | 0.33 | 62% | 0.617 | S | S | . | * | trans | -54.1 | 139 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | C23 E27 E28 L29 | C23-G25 PolarHBondContact O-N 2.94Å; C23-G25 VanDerWaalsContact O-N 3.13Å; G25-E27 PolarHBondContact O-N 3Å; G25-E28 WeakPolarHBondContact O-CA 3.3Å; G25-E28 PolarHBondContact O-N 3.47Å; G25-L29 PolarHBondContact O-N 3.49Å | ||
| 26 | D | 77.2 | Confident | 68.9 | Low | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -51.8 | -25.8 | 175.3 | 38.4 | -48.4 | 0 | 0 | 0 | 112.8 | I24 S30 | I24-D26 PolarHBondContact O-N 3.45Å; D26-S30 WeakPolarHBondContact O-CB 3.07Å; D26-S30 PolarHBondContact O-N 3.01Å; D26-S30 PolarHBondContact O-OG 3.44Å |
| 27 | E | 77.3 | Confident | 69.8 | Low | 166 Ų | 166 | 123.9 Ų | 123.9 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.9 | -46.7 | 168.7 | -69 | -171.7 | 146.9 | 0 | 0 | 113.4 | G25 L29 S30 Y31 | G25-E27 PolarHBondContact O-N 3Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.5Å; E27-S30 PolarHBondContact O-N 3.29Å; E27-Y31 WeakPolarHBondContact O-CB 3.24Å; E27-Y31 PolarHBondContact O-N 3.26Å |
| 28 | E | 75 | Confident | 70.6 | Confident | 122 Ų | 122 | 127.3 Ų | 127.3 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.1 | -36 | 176.6 | -77.4 | -169.8 | 145.1 | 0 | 0 | 111.4 | I24 G25 Y31 L32 | I24-E28 HydrophobicContact CG2-CB 3.72Å; G25-E28 WeakPolarHBondContact O-CA 3.3Å; G25-E28 PolarHBondContact O-N 3.47Å; E28-Y31 PolarHBondContact O-N 3.28Å; E28-L32 WeakPolarHBondContact O-CB 3.33Å; E28-L32 WeakPolarHBondContact O-CG 2.99Å; E28-L32 PolarHBondContact O-N 3.49Å |
| 29 | L | 74.3 | Confident | 71.3 | Confident | 108 Ų | 108 | 130.2 Ų | 130.2 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.8 | -41.3 | 174.9 | -153.5 | 91.9 | 0 | 0 | 0 | 111.3 | I24 G25 E27 K33 | I24-L29 HydrophobicContact CG2-CB 4.26Å; I24-L29 HydrophobicContact CG2-CD1 4.07Å; G25-L29 PolarHBondContact O-N 3.49Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.5Å; L29-K33 VanDerWaalsContact O-CB 3.31Å; L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 2.87Å |
| 30 | S | 78.6 | Confident | 72.2 | Confident | 76 Ų | 76 | 128.8 Ų | 128.8 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.6 | -41.4 | 175.3 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | D26 E27 K33 E34 | D26-S30 WeakPolarHBondContact O-CB 3.07Å; D26-S30 PolarHBondContact O-N 3.01Å; D26-S30 PolarHBondContact O-OG 3.44Å; E27-S30 PolarHBondContact O-N 3.29Å; S30-K33 PolarHBondContact O-N 3.05Å; S30-E34 PolarHBondContact O-N 2.9Å |
| 31 | Y | 83.4 | Confident | 72.7 | Confident | 152 Ų | 152 | 130.8 Ų | 130.8 | 60% | 0.596 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.5 | -45.1 | 176.1 | -176.9 | -104.9 | 0 | 0 | 0 | 112.7 | E27 E28 K33 E34 Q35 | E27-Y31 WeakPolarHBondContact O-CB 3.24Å; E27-Y31 PolarHBondContact O-N 3.26Å; E28-Y31 PolarHBondContact O-N 3.28Å; Y31-K33 VanDerWaalsContact C-N 3.34Å; Y31-K33 PolarHBondContact O-N 3.28Å; Y31-E34 PolarHBondContact O-N 3.34Å; Y31-Q35 PolarHBondContact O-N 2.67Å; Y31-Q35 VanDerWaalsContact O-N 3.09Å; Y31-Q35 PolarHBondContact OH-NE2 2.94Å; Y31-Q35 VanDerWaalsContact OH-NE2 3.11Å |
| 32 | L | 78.6 | Confident | 73.2 | Confident | 98 Ų | 98 | 125.8 Ų | 125.8 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.2 | -41.8 | 175.1 | -81.1 | 166.1 | 0 | 0 | 0 | 111.4 | E28 E34 Q35 Y36 | E28-L32 WeakPolarHBondContact O-CB 3.33Å; E28-L32 WeakPolarHBondContact O-CG 2.99Å; E28-L32 PolarHBondContact O-N 3.49Å; L32-E34 PolarHBondContact O-N 2.93Å; L32-Q35 PolarHBondContact O-N 3.28Å; L32-Y36 WeakPolarHBondContact O-CB 3.35Å; L32-Y36 PolarHBondContact O-N 3.26Å |
| 33 | K | 82.2 | Confident | 73.6 | Confident | 163 Ų | 163 | 127.6 Ų | 127.6 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | 176.9 | -171.9 | 179.1 | -178.5 | -178.4 | 0 | 111.6 | L29 S30 Y31 Y36 W37 | L29-K33 VanDerWaalsContact O-CB 3.31Å; L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 2.87Å; S30-K33 PolarHBondContact O-N 3.05Å; Y31-K33 VanDerWaalsContact C-N 3.34Å; Y31-K33 PolarHBondContact O-N 3.28Å; K33-Y36 PolarHBondContact O-N 3.43Å; K33-W37 VanDerWaalsContact O-CB 3.3Å; K33-W37 WeakPolarHBondContact O-CB 3.47Å; K33-W37 PolarHBondContact O-N 3.32Å |
| 34 | E | 82.5 | Confident | 74.1 | Confident | 98 Ų | 98 | 129.4 Ų | 129.4 | 46% | 0.458 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.6 | -42.6 | 179 | -174.2 | 161.2 | 166.9 | 0 | 0 | 112.3 | S30 Y31 L32 W37 R38 | S30-E34 PolarHBondContact O-N 2.9Å; Y31-E34 PolarHBondContact O-N 3.34Å; L32-E34 PolarHBondContact O-N 2.93Å; E34-W37 PolarHBondContact O-N 3.48Å; E34-R38 PolarHBondContact O-N 2.96Å; E34-R38 IonicContact OE1-CZ 3.82Å; E34-R38 IonicContact OE1-NE 3.81Å; E34-R38 IonicContact OE1-NH2 2.96Å; E34-R38 PolarHBondContact OE1-NH2 3.09Å |
| 35 | Q | 74.6 | Confident | 74.6 | Confident | 81 Ų | 81 | 131.5 Ų | 131.5 | 38% | 0.379 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -40.7 | 172.9 | -78.8 | -156.7 | 4.8 | 0 | 0 | 112.5 | Y31 L32 W37 R38 R39 | Y31-Q35 PolarHBondContact O-N 2.67Å; Y31-Q35 VanDerWaalsContact O-N 3.09Å; Y31-Q35 PolarHBondContact OH-NE2 2.94Å; Y31-Q35 VanDerWaalsContact OH-NE2 3.11Å; L32-Q35 PolarHBondContact O-N 3.28Å; Q35-W37 VanDerWaalsContact C-N 3.27Å; Q35-W37 PolarHBondContact O-N 2.93Å; Q35-R38 PolarHBondContact O-N 2.92Å; Q35-R39 PolarHBondContact O-N 2.95Å; Q35-R39 VanDerWaalsContact O-N 3.09Å |
| 36 | Y | 79.7 | Confident | 75 | Confident | 165 Ų | 165 | 133 Ų | 133 | 65% | 0.647 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.5 | -39.4 | 176.3 | -136.7 | -83.5 | 0 | 0 | 0 | 110.9 | L32 K33 R39 K40 | L32-Y36 WeakPolarHBondContact O-CB 3.35Å; L32-Y36 PolarHBondContact O-N 3.26Å; K33-Y36 PolarHBondContact O-N 3.43Å; Y36-R39 PolarHBondContact O-N 3.36Å; Y36-K40 HydrophobicContact CD1-CD 4.39Å; Y36-K40 HydrophobicContact CE1-CD 4.34Å; Y36-K40 WeakPolarHBondContact O-CB 3.38Å; Y36-K40 PolarHBondContact O-N 3Å |
| 37 | W | 75 | Confident | 75.3 | Confident | 160 Ų | 160 | 133.3 Ų | 133.3 | 61% | 0.606 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.8 | -45.8 | 177.1 | -166.5 | 60 | 0 | 0 | 0 | 111.6 | K33 E34 Q35 R39 K40 Y41 | K33-W37 VanDerWaalsContact O-CB 3.3Å; K33-W37 WeakPolarHBondContact O-CB 3.47Å; K33-W37 PolarHBondContact O-N 3.32Å; E34-W37 PolarHBondContact O-N 3.48Å; Q35-W37 VanDerWaalsContact C-N 3.27Å; Q35-W37 PolarHBondContact O-N 2.93Å; W37-R39 VanDerWaalsContact C-N 3.34Å; W37-R39 PolarHBondContact O-N 3.44Å; W37-K40 PolarHBondContact O-N 2.96Å; W37-Y41 AromaticContact CD1-CD2 3.14Å; W37-Y41 AromaticContact CD1-CE2 3.51Å; W37-Y41 AromaticContact CD1-CG 3.88Å; W37-Y41 HydrophobicContact CG-CD2 4.1Å; W37-Y41 AromaticContact NE1-CD2 3.37Å; W37-Y41 AromaticContact NE1-CE2 3.71Å; W37-Y41 AromaticContact NE1-CG 3.68Å; W37-Y41 WeakPolarHBondContact O-CB 3.32Å; W37-Y41 PolarHBondContact O-N 3.49Å |
| 38 | R | 72 | Confident | 75.8 | Confident | 172 Ų | 172 | 133.5 Ų | 133.5 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.5 | -42.8 | 174.9 | -71.4 | -174.8 | -166.8 | -168.8 | 6.3 | 112.4 | E34 Q35 G42 | E34-R38 PolarHBondContact O-N 2.96Å; E34-R38 IonicContact OE1-CZ 3.82Å; E34-R38 IonicContact OE1-NE 3.81Å; E34-R38 IonicContact OE1-NH2 2.96Å; E34-R38 PolarHBondContact OE1-NH2 3.09Å; Q35-R38 PolarHBondContact O-N 2.92Å; R38-G42 WeakPolarHBondContact O-CA 3.36Å; R38-G42 PolarHBondContact O-N 3.45Å |
| 39 | R | 70.4 | Confident | 76.4 | Confident | 205 Ų | 205 | 132.1 Ų | 132.1 | 77% | 0.774 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.6 | -40.8 | 177.7 | -74.2 | -174.8 | -179.3 | 162.5 | 2.5 | 113 | Q35 Y36 W37 | Q35-R39 PolarHBondContact O-N 2.95Å; Q35-R39 VanDerWaalsContact O-N 3.09Å; Y36-R39 PolarHBondContact O-N 3.36Å; W37-R39 VanDerWaalsContact C-N 3.34Å; W37-R39 PolarHBondContact O-N 3.44Å |
| 40 | K | 71.5 | Confident | 77.2 | Confident | 145 Ų | 145 | 133.9 Ų | 133.9 | 63% | 0.63 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -79.9 | -33.5 | -175.6 | -133.6 | 178.5 | -172.2 | -179.1 | 0 | 113.1 | Y36 W37 | Y36-K40 HydrophobicContact CD1-CD 4.39Å; Y36-K40 HydrophobicContact CE1-CD 4.34Å; Y36-K40 WeakPolarHBondContact O-CB 3.38Å; Y36-K40 PolarHBondContact O-N 3Å; W37-K40 PolarHBondContact O-N 2.96Å |
| 41 | Y | 68.9 | Low | 78 | Confident | 127 Ų | 127 | 134.4 Ų | 134.4 | 50% | 0.498 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -105.3 | -21.5 | -174.1 | -74.7 | -92.2 | 0 | 0 | 0 | 114.7 | W37 R43 R44 H45 | W37-Y41 AromaticContact CD1-CD2 3.14Å; W37-Y41 AromaticContact CD1-CE2 3.51Å; W37-Y41 AromaticContact CD1-CG 3.88Å; W37-Y41 HydrophobicContact CG-CD2 4.1Å; W37-Y41 AromaticContact NE1-CD2 3.37Å; W37-Y41 AromaticContact NE1-CE2 3.71Å; W37-Y41 AromaticContact NE1-CG 3.68Å; W37-Y41 WeakPolarHBondContact O-CB 3.32Å; W37-Y41 PolarHBondContact O-N 3.49Å; Y41-R43 PolarHBondContact O-N 2.97Å; Y41-R44 PolarHBondContact O-N 3.44Å; Y41-H45 PolarHBondContact O-N 3.42Å; Y41-H45 VanDerWaalsContact O-N 3.07Å |
| 42 | G | 68.3 | Low | 78.5 | Confident | 38 Ų | 38 | 133.4 Ų | 133.4 | 39% | 0.392 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.7 | -40.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R38 H45 S46 | R38-G42 WeakPolarHBondContact O-CA 3.36Å; R38-G42 PolarHBondContact O-N 3.45Å; G42-H45 PolarHBondContact O-N 3.23Å; G42-S46 PolarHBondContact O-N 2.88Å; G42-S46 VanDerWaalsContact O-N 3.12Å |
| 43 | R | 67.3 | Low | 79.4 | Confident | 221 Ų | 221 | 133.2 Ų | 133.2 | 83% | 0.834 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -40.3 | 176.8 | -90.9 | -171.4 | -175.8 | 159.5 | 2.2 | 112.9 | Y41 H45 F47 | Y41-R43 PolarHBondContact O-N 2.97Å; R43-H45 VanDerWaalsContact C-N 3.32Å; R43-F47 PolarHBondContact O-N 3Å; R43-F47 VanDerWaalsContact O-N 3.1Å |
| 44 | R | 70.5 | Confident | 80 | Confident | 165 Ų | 165 | 132.9 Ų | 132.9 | 62% | 0.623 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67 | -36.6 | 177.8 | -77.3 | -173.2 | 176 | -173.5 | -1.1 | 111.3 | Y41 R48 | Y41-R44 PolarHBondContact O-N 3.44Å; R44-R48 WeakPolarHBondContact O-CB 3.29Å; R44-R48 VanDerWaalsContact O-CG 3.29Å; R44-R48 WeakPolarHBondContact O-CG 3.35Å; R44-R48 PolarHBondContact O-N 3.04Å |
| 45 | H | 70.7 | Confident | 80.7 | Confident | 131 Ų | 131 | 133.2 Ų | 133.2 | 61% | 0.606 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.1 | -44.4 | 178.5 | -152.8 | -81 | 0 | 0 | 0 | 111.9 | Y41 G42 R43 F47 R48 L49 | Y41-H45 PolarHBondContact O-N 3.42Å; Y41-H45 VanDerWaalsContact O-N 3.07Å; G42-H45 PolarHBondContact O-N 3.23Å; R43-H45 VanDerWaalsContact C-N 3.32Å; H45-F47 PolarHBondContact O-N 3.47Å; H45-R48 PolarHBondContact O-N 3.43Å; H45-L49 WeakPolarHBondContact O-CB 3.43Å; H45-L49 PolarHBondContact O-N 3.04Å |
| 46 | S | 77.1 | Confident | 81.8 | Confident | 64 Ų | 64 | 134 Ų | 134 | 45% | 0.448 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.8 | -41.8 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | G42 L49 K50 | G42-S46 PolarHBondContact O-N 2.88Å; G42-S46 VanDerWaalsContact O-N 3.12Å; S46-L49 PolarHBondContact O-N 2.99Å; S46-K50 WeakPolarHBondContact O-CG 3.28Å; S46-K50 PolarHBondContact O-N 2.98Å |
| 47 | F | 84.2 | Confident | 82.6 | Confident | 142 Ų | 142 | 130.9 Ų | 130.9 | 62% | 0.623 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.7 | -45 | 176.3 | -177.3 | -99.1 | 0 | 0 | 0 | 112.3 | R43 H45 L49 K50 L51 | R43-F47 PolarHBondContact O-N 3Å; R43-F47 VanDerWaalsContact O-N 3.1Å; H45-F47 PolarHBondContact O-N 3.47Å; F47-L49 VanDerWaalsContact C-N 3.3Å; F47-L49 PolarHBondContact O-N 3.17Å; F47-K50 PolarHBondContact O-N 3.44Å; F47-L51 WeakPolarHBondContact O-CB 3.4Å; F47-L51 PolarHBondContact O-N 3.07Å |
| 48 | R | 87.2 | Confident | 83.7 | Confident | 171 Ų | 171 | 124.9 Ų | 124.9 | 65% | 0.645 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.3 | -40.6 | 175.9 | -77.5 | 179.9 | 176.4 | 179.6 | -2.6 | 111.9 | R44 H45 L51 F52 | R44-R48 WeakPolarHBondContact O-CB 3.29Å; R44-R48 VanDerWaalsContact O-CG 3.29Å; R44-R48 WeakPolarHBondContact O-CG 3.35Å; R44-R48 PolarHBondContact O-N 3.04Å; H45-R48 PolarHBondContact O-N 3.43Å; R48-L51 PolarHBondContact O-N 3.49Å; R48-F52 WeakPolarHBondContact O-CB 3.39Å; R48-F52 PolarHBondContact O-N 3.38Å |
| 49 | L | 88.7 | Confident | 84.9 | Confident | 93 Ų | 93 | 123.9 Ų | 123.9 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.1 | -40.2 | 179.2 | -160.7 | 131.7 | 0 | 0 | 0 | 111.8 | H45 S46 F47 F52 L53 | H45-L49 WeakPolarHBondContact O-CB 3.43Å; H45-L49 PolarHBondContact O-N 3.04Å; S46-L49 PolarHBondContact O-N 2.99Å; F47-L49 VanDerWaalsContact C-N 3.3Å; F47-L49 PolarHBondContact O-N 3.17Å; L49-F52 PolarHBondContact O-N 3.42Å; L49-L53 HydrophobicContact CD2-CD1 3.94Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 2.93Å |
| 50 | K | 91.1 | Very high | 86.2 | Confident | 145 Ų | 145 | 117.3 Ų | 117.3 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.3 | -43.7 | 172.9 | -73.4 | -179.5 | -179.6 | -173.4 | 0 | 112.3 | S46 F47 F52 L53 F54 | S46-K50 WeakPolarHBondContact O-CG 3.28Å; S46-K50 PolarHBondContact O-N 2.98Å; F47-K50 PolarHBondContact O-N 3.44Å; K50-F52 VanDerWaalsContact C-N 3.34Å; K50-L53 PolarHBondContact O-N 3.27Å; K50-F54 WeakPolarHBondContact O-CB 3.33Å; K50-F54 PolarHBondContact O-N 3.3Å |
| 51 | L | 93.9 | Very high | 87.4 | Confident | 87 Ų | 87 | 114 Ų | 114 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.5 | -178.4 | 64.5 | 0 | 0 | 0 | 111.2 | F47 R48 F54 L55 | F47-L51 WeakPolarHBondContact O-CB 3.4Å; F47-L51 PolarHBondContact O-N 3.07Å; R48-L51 PolarHBondContact O-N 3.49Å; L51-F54 PolarHBondContact O-N 3.26Å; L51-L55 HydrophobicContact CG-CD1 4.33Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.04Å |
| 52 | F | 95.3 | Very high | 88.8 | Confident | 131 Ų | 131 | 113.8 Ų | 113.8 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62 | -46.2 | 176.4 | -175.5 | -104.5 | 0 | 0 | 0 | 111.8 | R48 L49 K50 F54 L55 L56 | R48-F52 WeakPolarHBondContact O-CB 3.39Å; R48-F52 PolarHBondContact O-N 3.38Å; L49-F52 PolarHBondContact O-N 3.42Å; K50-F52 VanDerWaalsContact C-N 3.34Å; F52-F54 VanDerWaalsContact C-N 3.32Å; F52-F54 PolarHBondContact O-N 2.89Å; F52-L55 PolarHBondContact O-N 3.04Å; F52-L56 HydrophobicContact CD1-CD1 4.02Å; F52-L56 HydrophobicContact CE1-CD1 3.38Å; F52-L56 HydrophobicContact CZ-CD1 3.72Å; F52-L56 WeakPolarHBondContact O-CB 3.5Å; F52-L56 PolarHBondContact O-N 3.4Å |
| 53 | L | 95.6 | Very high | 90.2 | Very high | 94 Ų | 94 | 118.2 Ų | 118.2 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.7 | -43 | 175.9 | -118.6 | 129.5 | 0 | 0 | 0 | 112 | L49 K50 L56 I57 | L49-L53 HydrophobicContact CD2-CD1 3.94Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 2.93Å; K50-L53 PolarHBondContact O-N 3.27Å; L53-L56 PolarHBondContact O-N 3.34Å; L53-I57 HydrophobicContact CD2-CD1 4.22Å; L53-I57 WeakPolarHBondContact O-CD1 3.43Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.35Å; L53-I57 PolarHBondContact O-N 2.96Å |
| 54 | F | 96.2 | Very high | 91.7 | Very high | 155 Ų | 155 | 111 Ų | 111 | 68% | 0.68 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 177.8 | -172.4 | -96.7 | 0 | 0 | 0 | 112.1 | K50 L51 F52 L56 I57 G58 | K50-F54 WeakPolarHBondContact O-CB 3.33Å; K50-F54 PolarHBondContact O-N 3.3Å; L51-F54 PolarHBondContact O-N 3.26Å; F52-F54 VanDerWaalsContact C-N 3.32Å; F52-F54 PolarHBondContact O-N 2.89Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 3.38Å; F54-I57 PolarHBondContact O-N 2.94Å; F54-G58 PolarHBondContact O-N 3.43Å |
| 55 | L | 96.6 | Very high | 93 | Very high | 106 Ų | 106 | 109 Ų | 109 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 175.3 | -74.8 | 169.6 | 0 | 0 | 0 | 111.8 | L51 F52 G58 F59 | L51-L55 HydrophobicContact CG-CD1 4.33Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.04Å; F52-L55 PolarHBondContact O-N 3.04Å; L55-G58 PolarHBondContact O-N 3.48Å; L55-F59 WeakPolarHBondContact O-CB 3.47Å; L55-F59 PolarHBondContact O-N 3.41Å |
| 56 | L | 97.1 | Very high | 94.3 | Very high | 98 Ų | 98 | 106.2 Ų | 106.2 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 179.3 | -130.4 | 152.4 | 0 | 0 | 0 | 111.6 | F52 L53 F54 S60 | F52-L56 HydrophobicContact CD1-CD1 4.02Å; F52-L56 HydrophobicContact CE1-CD1 3.38Å; F52-L56 HydrophobicContact CZ-CD1 3.72Å; F52-L56 WeakPolarHBondContact O-CB 3.5Å; F52-L56 PolarHBondContact O-N 3.4Å; L53-L56 PolarHBondContact O-N 3.34Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 3.38Å; L56-S60 WeakPolarHBondContact O-CB 3.29Å; L56-S60 PolarHBondContact O-N 2.98Å |
| 57 | I | 97.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 106.4 Ų | 106.4 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 176.3 | -66.7 | 163 | 0 | 0 | 0 | 110.4 | L53 F54 F59 S60 V61 | L53-I57 HydrophobicContact CD2-CD1 4.22Å; L53-I57 WeakPolarHBondContact O-CD1 3.43Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.35Å; L53-I57 PolarHBondContact O-N 2.96Å; F54-I57 PolarHBondContact O-N 2.94Å; I57-F59 PolarHBondContact O-N 3.4Å; I57-S60 WeakPolarHBondContact O-CB 3.34Å; I57-S60 PolarHBondContact O-N 3.37Å; I57-V61 WeakPolarHBondContact O-CG2 3.38Å; I57-V61 PolarHBondContact O-N 3.4Å; I57-V61 VanDerWaalsContact O-N 3.07Å |
| 58 | G | 96.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 103.3 Ų | 103.3 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F54 L55 S60 V61 L62 | F54-G58 PolarHBondContact O-N 3.43Å; L55-G58 PolarHBondContact O-N 3.48Å; G58-S60 PolarHBondContact O-N 2.95Å; G58-V61 PolarHBondContact O-N 2.88Å; G58-L62 WeakPolarHBondContact O-CG 3.26Å; G58-L62 PolarHBondContact O-N 3.39Å |
| 59 | F | 97.8 | Very high | 96.4 | Very high | 151 Ų | 151 | 98 Ų | 98 | 66% | 0.662 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -38.6 | 178.6 | -152.6 | -89 | 0 | 0 | 0 | 112 | L55 I57 V61 L62 F63 | L55-F59 WeakPolarHBondContact O-CB 3.47Å; L55-F59 PolarHBondContact O-N 3.41Å; I57-F59 PolarHBondContact O-N 3.4Å; F59-V61 VanDerWaalsContact C-N 3.33Å; F59-V61 PolarHBondContact O-N 3.34Å; F59-L62 PolarHBondContact O-N 2.94Å; F59-F63 VanDerWaalsContact O-CB 3.28Å; F59-F63 WeakPolarHBondContact O-CB 3.49Å; F59-F63 PolarHBondContact O-N 3.4Å |
| 60 | S | 97.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 97.2 Ų | 97.2 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | L56 I57 G58 T64 | L56-S60 WeakPolarHBondContact O-CB 3.29Å; L56-S60 PolarHBondContact O-N 2.98Å; I57-S60 WeakPolarHBondContact O-CB 3.34Å; I57-S60 PolarHBondContact O-N 3.37Å; G58-S60 PolarHBondContact O-N 2.95Å; S60-T64 WeakPolarHBondContact O-CG2 3.48Å; S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 PolarHBondContact O-OG1 2.99Å |
| 61 | V | 97.9 | Very high | 97.2 | Very high | 74 Ų | 74 | 94 Ų | 94 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.2 | -43.1 | 178.3 | 175 | 0 | 0 | 0 | 0 | 111.2 | I57 G58 F59 F63 T64 M65 | I57-V61 WeakPolarHBondContact O-CG2 3.38Å; I57-V61 PolarHBondContact O-N 3.4Å; I57-V61 VanDerWaalsContact O-N 3.07Å; G58-V61 PolarHBondContact O-N 2.88Å; F59-V61 VanDerWaalsContact C-N 3.33Å; F59-V61 PolarHBondContact O-N 3.34Å; V61-F63 VanDerWaalsContact C-N 3.3Å; V61-F63 PolarHBondContact O-N 2.9Å; V61-T64 PolarHBondContact O-N 3.31Å; V61-T64 PolarHBondContact O-OG1 3.35Å; V61-M65 HydrophobicContact CG1-CG 4.46Å; V61-M65 WeakPolarHBondContact O-CB 3.35Å; V61-M65 VanDerWaalsContact O-CG 3.26Å; V61-M65 WeakPolarHBondContact O-CG 3.43Å; V61-M65 PolarHBondContact O-N 3.07Å |
| 62 | L | 97.5 | Very high | 97.3 | Very high | 124 Ų | 124 | 95 Ų | 95 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 175.9 | -70.8 | 172.8 | 0 | 0 | 0 | 111.5 | G58 F59 S66 | G58-L62 WeakPolarHBondContact O-CG 3.26Å; G58-L62 PolarHBondContact O-N 3.39Å; F59-L62 PolarHBondContact O-N 2.94Å; L62-S66 WeakPolarHBondContact O-CB 3.36Å; L62-S66 PolarHBondContact O-N 3.12Å |
| 63 | F | 98.2 | Very high | 97.4 | Very high | 131 Ų | 131 | 95.3 Ų | 95.3 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -48.3 | 177.6 | -175.9 | -99.2 | 0 | 0 | 0 | 111.7 | F59 V61 M65 S66 V67 | F59-F63 VanDerWaalsContact O-CB 3.28Å; F59-F63 WeakPolarHBondContact O-CB 3.49Å; F59-F63 PolarHBondContact O-N 3.4Å; V61-F63 VanDerWaalsContact C-N 3.3Å; V61-F63 PolarHBondContact O-N 2.9Å; F63-M65 PolarHBondContact O-N 3.29Å; F63-S66 PolarHBondContact O-N 3.41Å; F63-V67 HydrophobicContact CD1-CG2 4.15Å; F63-V67 HydrophobicContact CE1-CG2 3.77Å; F63-V67 HydrophobicContact CE2-CG2 4.41Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.49Å; F63-V67 PolarHBondContact O-N 2.87Å |
| 64 | T | 98.1 | Very high | 97.4 | Very high | 68 Ų | 68 | 95.2 Ų | 95.2 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 179.1 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | S60 V61 S66 V67 V68 | S60-T64 WeakPolarHBondContact O-CG2 3.48Å; S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 PolarHBondContact O-OG1 2.99Å; V61-T64 PolarHBondContact O-N 3.31Å; V61-T64 PolarHBondContact O-OG1 3.35Å; T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact O-N 3.49Å; T64-V67 PolarHBondContact O-N 3.31Å; T64-V68 WeakPolarHBondContact O-CG2 3.4Å; T64-V68 PolarHBondContact O-N 3.02Å |
| 65 | M | 97.2 | Very high | 97.4 | Very high | 125 Ų | 125 | 94.1 Ų | 94.1 | 62% | 0.616 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -40.4 | 175.1 | -69.2 | -64 | 168.7 | 0 | 0 | 112 | V61 F63 V68 A69 | V61-M65 HydrophobicContact CG1-CG 4.46Å; V61-M65 WeakPolarHBondContact O-CB 3.35Å; V61-M65 VanDerWaalsContact O-CG 3.26Å; V61-M65 WeakPolarHBondContact O-CG 3.43Å; V61-M65 PolarHBondContact O-N 3.07Å; F63-M65 PolarHBondContact O-N 3.29Å; M65-V68 PolarHBondContact O-N 3.49Å; M65-A69 WeakPolarHBondContact O-CB 3.42Å; M65-A69 PolarHBondContact O-N 3.05Å |
| 66 | S | 97.8 | Very high | 97.3 | Very high | 72 Ų | 72 | 96.8 Ų | 96.8 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.7 | -173 | 0 | 0 | 0 | 0 | 112 | L62 F63 T64 V68 A69 V70 | L62-S66 WeakPolarHBondContact O-CB 3.36Å; L62-S66 PolarHBondContact O-N 3.12Å; F63-S66 PolarHBondContact O-N 3.41Å; T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact O-N 3.49Å; S66-V68 VanDerWaalsContact C-N 3.35Å; S66-V68 PolarHBondContact O-N 3.1Å; S66-A69 PolarHBondContact O-N 2.96Å; S66-V70 WeakPolarHBondContact O-CG2 3.38Å; S66-V70 PolarHBondContact O-N 3.42Å |
| 67 | V | 98.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 94.2 Ų | 94.2 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | F63 T64 V70 T71 | F63-V67 HydrophobicContact CD1-CG2 4.15Å; F63-V67 HydrophobicContact CE1-CG2 3.77Å; F63-V67 HydrophobicContact CE2-CG2 4.41Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.49Å; F63-V67 PolarHBondContact O-N 2.87Å; T64-V67 PolarHBondContact O-N 3.31Å; V67-V70 PolarHBondContact O-N 3.32Å; V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.29Å |
| 68 | V | 97.9 | Very high | 97 | Very high | 78 Ų | 78 | 93.1 Ų | 93.1 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | T64 M65 S66 V70 T71 I72 | T64-V68 WeakPolarHBondContact O-CG2 3.4Å; T64-V68 PolarHBondContact O-N 3.02Å; M65-V68 PolarHBondContact O-N 3.49Å; S66-V68 VanDerWaalsContact C-N 3.35Å; S66-V68 PolarHBondContact O-N 3.1Å; V68-V70 PolarHBondContact O-N 2.93Å; V68-T71 WeakPolarHBondContact CA-OG1 3.36Å; V68-T71 PolarHBondContact O-N 3.09Å; V68-T71 PolarHBondContact O-OG1 3Å; V68-T71 VanDerWaalsContact O-OG1 3.09Å; V68-I72 HydrophobicContact CG1-CD1 3.76Å; V68-I72 HydrophobicContact CG1-CG1 4.44Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.42Å; V68-I72 PolarHBondContact O-N 2.93Å |
| 69 | A | 97.7 | Very high | 96.7 | Very high | 59 Ų | 59 | 99.1 Ų | 99.1 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | M65 S66 I72 F73 | M65-A69 WeakPolarHBondContact O-CB 3.42Å; M65-A69 PolarHBondContact O-N 3.05Å; S66-A69 PolarHBondContact O-N 2.96Å; A69-I72 PolarHBondContact O-N 3.38Å; A69-F73 WeakPolarHBondContact O-CB 3.29Å; A69-F73 PolarHBondContact O-N 3.5Å |
| 70 | V | 97.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | S66 V67 V68 F73 L74 | S66-V70 WeakPolarHBondContact O-CG2 3.38Å; S66-V70 PolarHBondContact O-N 3.42Å; V67-V70 PolarHBondContact O-N 3.32Å; V68-V70 PolarHBondContact O-N 2.93Å; V70-F73 PolarHBondContact O-N 2.96Å; V70-L74 HydrophobicContact CG1-CD1 4.07Å; V70-L74 HydrophobicContact CG1-CG 4.36Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 3.35Å |
| 71 | T | 97.2 | Very high | 95.7 | Very high | 78 Ų | 78 | 98.5 Ų | 98.5 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 177.9 | 25.5 | 0 | 0 | 0 | 0 | 112.2 | V67 V68 F73 L74 F75 | V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.29Å; V68-T71 WeakPolarHBondContact CA-OG1 3.36Å; V68-T71 PolarHBondContact O-N 3.09Å; V68-T71 PolarHBondContact O-OG1 3Å; V68-T71 VanDerWaalsContact O-OG1 3.09Å; T71-F73 VanDerWaalsContact C-N 3.33Å; T71-F73 PolarHBondContact O-N 3.31Å; T71-L74 PolarHBondContact O-N 2.83Å; T71-F75 WeakPolarHBondContact O-CB 3.37Å; T71-F75 PolarHBondContact O-N 3.34Å |
| 72 | I | 97.5 | Very high | 95.4 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 56% | 0.559 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -43.5 | 173.7 | -67.2 | 166.6 | 0 | 0 | 0 | 110.5 | V68 A69 F75 W76 | V68-I72 HydrophobicContact CG1-CD1 3.76Å; V68-I72 HydrophobicContact CG1-CG1 4.44Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.42Å; V68-I72 PolarHBondContact O-N 2.93Å; A69-I72 PolarHBondContact O-N 3.38Å; I72-F75 PolarHBondContact O-N 2.93Å; I72-W76 WeakPolarHBondContact O-CB 3.31Å; I72-W76 PolarHBondContact O-N 3.29Å |
| 73 | F | 97.1 | Very high | 94.9 | Very high | 136 Ų | 136 | 101.6 Ų | 101.6 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -47 | 178.2 | -178.8 | -97.4 | 0 | 0 | 0 | 112.3 | A69 V70 T71 F75 W76 S77 | A69-F73 WeakPolarHBondContact O-CB 3.29Å; A69-F73 PolarHBondContact O-N 3.5Å; V70-F73 PolarHBondContact O-N 2.96Å; T71-F73 VanDerWaalsContact C-N 3.33Å; T71-F73 PolarHBondContact O-N 3.31Å; F73-F75 VanDerWaalsContact C-N 3.34Å; F73-F75 PolarHBondContact O-N 2.86Å; F73-W76 PolarHBondContact O-N 2.91Å; F73-S77 PolarHBondContact O-N 3.38Å; F73-S77 PolarHBondContact O-OG 3.13Å |
| 74 | L | 96.3 | Very high | 94.5 | Very high | 93 Ų | 93 | 104.1 Ų | 104.1 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 176.7 | -71.4 | 175.5 | 0 | 0 | 0 | 112.2 | V70 T71 W76 S77 T78 | V70-L74 HydrophobicContact CG1-CD1 4.07Å; V70-L74 HydrophobicContact CG1-CG 4.36Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 3.35Å; T71-L74 PolarHBondContact O-N 2.83Å; L74-W76 VanDerWaalsContact C-N 3.33Å; L74-S77 WeakPolarHBondContact CA-OG 3.45Å; L74-S77 PolarHBondContact O-N 3.37Å; L74-S77 PolarHBondContact O-OG 2.98Å; L74-T78 VanDerWaalsContact O-CB 3.3Å; L74-T78 WeakPolarHBondContact O-CB 3.37Å; L74-T78 PolarHBondContact O-N 2.86Å; L74-T78 PolarHBondContact O-OG1 3.09Å |
| 75 | F | 95 | Very high | 93.5 | Very high | 132 Ų | 132 | 107.8 Ų | 107.8 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 176.1 | -175.2 | -98.7 | 0 | 0 | 0 | 111.2 | T71 I72 F73 R79 | T71-F75 WeakPolarHBondContact O-CB 3.37Å; T71-F75 PolarHBondContact O-N 3.34Å; I72-F75 PolarHBondContact O-N 2.93Å; F73-F75 VanDerWaalsContact C-N 3.34Å; F73-F75 PolarHBondContact O-N 2.86Å; F75-R79 HydrophobicContact CD1-CG 4.4Å; F75-R79 HydrophobicContact CE1-CG 4.12Å; F75-R79 HydrophobicContact CZ-CG 4.37Å; F75-R79 WeakPolarHBondContact O-CG 3.49Å; F75-R79 PolarHBondContact O-N 3.44Å |
| 76 | W | 94 | Very high | 92.5 | Very high | 161 Ų | 161 | 110.9 Ų | 110.9 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.9 | -44.4 | 177.1 | -166.1 | 80.8 | 0 | 0 | 0 | 112.2 | I72 F73 L74 T78 R79 N80 | I72-W76 WeakPolarHBondContact O-CB 3.31Å; I72-W76 PolarHBondContact O-N 3.29Å; F73-W76 PolarHBondContact O-N 2.91Å; L74-W76 VanDerWaalsContact C-N 3.33Å; W76-T78 VanDerWaalsContact C-N 3.34Å; W76-T78 PolarHBondContact O-N 2.91Å; W76-R79 PolarHBondContact O-N 2.86Å; W76-N80 WeakPolarHBondContact CH2-ND2 3.48Å; W76-N80 WeakPolarHBondContact CZ2-ND2 3.47Å; W76-N80 WeakPolarHBondContact CZ3-ND2 3.43Å; W76-N80 PolarHBondContact O-N 3.39Å |
| 77 | S | 94.7 | Very high | 92.3 | Very high | 44 Ų | 44 | 112.8 Ų | 112.8 | 31% | 0.308 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 177.3 | 72.3 | 0 | 0 | 0 | 0 | 111.6 | F73 L74 R79 N80 F81 | F73-S77 PolarHBondContact O-N 3.38Å; F73-S77 PolarHBondContact O-OG 3.13Å; L74-S77 WeakPolarHBondContact CA-OG 3.45Å; L74-S77 PolarHBondContact O-N 3.37Å; L74-S77 PolarHBondContact O-OG 2.98Å; S77-R79 PolarHBondContact O-N 3.04Å; S77-N80 PolarHBondContact O-N 3.11Å; S77-F81 PolarHBondContact O-N 3.45Å |
| 78 | T | 95.4 | Very high | 91.9 | Very high | 76 Ų | 76 | 115.2 Ų | 115.2 | 47% | 0.466 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.1 | -43.4 | 177.2 | -55 | 0 | 0 | 0 | 0 | 111.2 | L74 W76 N80 F81 I82 | L74-T78 VanDerWaalsContact O-CB 3.3Å; L74-T78 WeakPolarHBondContact O-CB 3.37Å; L74-T78 PolarHBondContact O-N 2.86Å; L74-T78 PolarHBondContact O-OG1 3.09Å; W76-T78 VanDerWaalsContact C-N 3.34Å; W76-T78 PolarHBondContact O-N 2.91Å; T78-N80 PolarHBondContact O-N 3.48Å; T78-F81 PolarHBondContact O-N 3.2Å; T78-I82 HydrophobicContact CG2-CD1 4.11Å; T78-I82 WeakPolarHBondContact O-CG1 3.39Å; T78-I82 PolarHBondContact O-N 3.29Å; T78-I82 VanDerWaalsContact O-N 3.17Å |
| 79 | R | 89 | Confident | 91.6 | Very high | 160 Ų | 160 | 117.3 Ų | 117.3 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -40.8 | 176.3 | -76.1 | -70.1 | -170.7 | 170.5 | 2 | 112.5 | F75 W76 S77 K83 | F75-R79 HydrophobicContact CD1-CG 4.4Å; F75-R79 HydrophobicContact CE1-CG 4.12Å; F75-R79 HydrophobicContact CZ-CG 4.37Å; F75-R79 WeakPolarHBondContact O-CG 3.49Å; F75-R79 PolarHBondContact O-N 3.44Å; W76-R79 PolarHBondContact O-N 2.86Å; S77-R79 PolarHBondContact O-N 3.04Å; R79-K83 PolarHBondContact O-N 3.47Å |
| 80 | N | 85 | Confident | 91.2 | Very high | 70 Ų | 70 | 120.7 Ų | 120.7 | 37% | 0.374 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -38.7 | 177.1 | -79.7 | -3.1 | 0 | 0 | 0 | 112.5 | W76 S77 T78 K83 F84 | W76-N80 WeakPolarHBondContact CH2-ND2 3.48Å; W76-N80 WeakPolarHBondContact CZ2-ND2 3.47Å; W76-N80 WeakPolarHBondContact CZ3-ND2 3.43Å; W76-N80 PolarHBondContact O-N 3.39Å; S77-N80 PolarHBondContact O-N 3.11Å; T78-N80 PolarHBondContact O-N 3.48Å; N80-K83 PolarHBondContact O-N 3.16Å; N80-F84 PolarHBondContact O-N 3.44Å; N80-F84 VanDerWaalsContact O-N 3.16Å |
| 81 | F | 90.9 | Very high | 90.8 | Very high | 136 Ų | 136 | 123.5 Ų | 123.5 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.2 | -45 | 178.8 | -166.9 | -92.3 | 0 | 0 | 0 | 111.6 | S77 T78 K83 F84 E85 | S77-F81 PolarHBondContact O-N 3.45Å; T78-F81 PolarHBondContact O-N 3.2Å; F81-K83 VanDerWaalsContact C-N 3.29Å; F81-K83 PolarHBondContact O-N 3.48Å; F81-F84 PolarHBondContact O-N 3.49Å; F81-E85 WeakPolarHBondContact CE1-OE2 3.49Å; F81-E85 PolarHBondContact O-N 3.35Å; F81-E85 VanDerWaalsContact O-N 3.1Å |
| 82 | I | 91.1 | Very high | 90.4 | Very high | 90 Ų | 90 | 126.5 Ų | 126.5 | 46% | 0.462 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.2 | -36.7 | 178.3 | -65.6 | 162.8 | 0 | 0 | 0 | 112 | T78 F84 N86 | T78-I82 HydrophobicContact CG2-CD1 4.11Å; T78-I82 WeakPolarHBondContact O-CG1 3.39Å; T78-I82 PolarHBondContact O-N 3.29Å; T78-I82 VanDerWaalsContact O-N 3.17Å; I82-F84 VanDerWaalsContact C-N 3.3Å; I82-N86 PolarHBondContact O-N 3.35Å |
| 83 | K | 87.3 | Confident | 89.9 | Confident | 173 Ų | 173 | 127.8 Ų | 127.8 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.9 | -21.6 | 177.1 | -173 | 175.6 | 178.2 | -175.5 | 0 | 112.9 | R79 N80 F81 | R79-K83 PolarHBondContact O-N 3.47Å; N80-K83 PolarHBondContact O-N 3.16Å; F81-K83 VanDerWaalsContact C-N 3.29Å; F81-K83 PolarHBondContact O-N 3.48Å |
| 84 | F | 88.3 | Confident | 89.4 | Confident | 184 Ų | 184 | 127.2 Ų | 127.2 | 81% | 0.807 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -84.8 | -29.4 | 178.3 | -174.5 | -93.8 | 0 | 0 | 0 | 112.2 | N80 F81 I82 | N80-F84 PolarHBondContact O-N 3.44Å; N80-F84 VanDerWaalsContact O-N 3.16Å; F81-F84 PolarHBondContact O-N 3.49Å; I82-F84 VanDerWaalsContact C-N 3.3Å |
| 85 | E | 78.7 | Confident | 88.8 | Confident | 145 Ų | 145 | 130 Ų | 130 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81.4 | -27.1 | -179.4 | -166.5 | 168.2 | -167.5 | 0 | 0 | 113.6 | F81 | F81-E85 WeakPolarHBondContact CE1-OE2 3.49Å; F81-E85 PolarHBondContact O-N 3.35Å; F81-E85 VanDerWaalsContact O-N 3.1Å |
| 86 | N | 75.8 | Confident | 88.2 | Confident | 189 Ų | 189 | 129.8 Ų | 129.8 | 100% | 1.011 | 61% | 0.606 | S | S | * | * | trans | -94.4 | 0 | 172.8 | -80.8 | -17.2 | 0 | 0 | 0 | 112.1 | I82 | I82-N86 PolarHBondContact O-N 3.35Š|
Retrieved 86 of 86 residues in 62.4 ms
(Link to these results)