| 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 | 42.7 | Very low | 47.5 | Very low | 238 Ų | 238 | 160.4 Ų | 160.4 | 100% | 1.172 | 85% | 0.847 | S | S | * | * | 0 | 105.6 | 0 | -74.9 | 161.3 | 157.6 | 0 | 0 | 106.2 | |||||
| 2 | K | 48.2 | Very low | 46.5 | Very low | 213 Ų | 213 | 162.5 Ų | 162.5 | 93% | 0.926 | 85% | 0.849 | S | S | * | * | 46.9 | 126.5 | 97.4 | -65.5 | -172 | -178.7 | -176 | 0 | 111 | |||||
| 3 | S | 40.2 | Very low | 45.4 | Very low | 111 Ų | 111 | 159.2 Ų | 159.2 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | cis | -168.1 | 151.5 | 19.8 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | C | 49.4 | Very low | 44.9 | Very low | 111 Ų | 111 | 159.6 Ų | 159.6 | 75% | 0.75 | 83% | 0.828 | S | S | * | * | trans | -54.7 | 149.5 | 160.4 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | Q | 59.3 | Low | 44.4 | Very low | 196 Ų | 196 | 156.3 Ų | 156.3 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -126.4 | 100.8 | 148.1 | -85.7 | -174.2 | -9.4 | 0 | 0 | 108.9 | ||||
| 6 | K | 52.8 | Low | 44.4 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 140.4 | 148.3 | -77.7 | 174.8 | 169.5 | -174.5 | 0 | 107 | ||||
| 7 | I | 59.9 | Low | 44.3 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | trans | -122.8 | 111.4 | 148.6 | 20.3 | 170.7 | 0 | 0 | 0 | 106.8 | ||||
| 8 | E | 43.7 | Very low | 43.9 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -79.2 | 154.4 | 167.8 | -63 | 176.3 | 142.7 | 0 | 0 | 109.4 | ||||
| 9 | G | 35.6 | Very low | 43.4 | Very low | 82 Ų | 82 | 156.4 Ų | 156.4 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 166.7 | 80.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 10 | K | 42.8 | Very low | 43.3 | Very low | 204 Ų | 204 | 157.2 Ų | 157.2 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -62.4 | -168.2 | 167.5 | -81.7 | -169.8 | 174.9 | -170 | 0 | 113.4 | ||||
| 11 | P | 48.1 | Very low | 43 | Very low | 96 Ų | 96 | 157.6 Ų | 157.6 | 62% | 0.623 | 81% | 0.811 | S | S | * | * | -134.1 | -173.8 | -54.7 | 39.1 | -21.5 | 0 | 0 | 0 | 112.1 | |||||
| 12 | E | 35.1 | Very low | 43.2 | Very low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 60.6 | 125.9 | 153.5 | -77.4 | 173.6 | 165.8 | 0 | 0 | 120.7 | ||||
| 13 | N | 32.5 | Very low | 42.7 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | -178 | 110.9 | 133.1 | 165.2 | -84.1 | 0 | 0 | 0 | 110.2 | ||||
| 14 | E | 38.7 | Very low | 42.7 | Very low | 165 Ų | 165 | 154.3 Ų | 154.3 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | 62 | 124.2 | 137.3 | -57.5 | 171.5 | -163.2 | 0 | 0 | 117.9 | ||||
| 15 | S | 37.2 | Very low | 43.1 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | cis | 179.3 | 141.9 | 38.7 | 33.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 16 | E | 44.3 | Very low | 42.6 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | -62.6 | 153.9 | 165.1 | -67.5 | -176.6 | 170.6 | 0 | 0 | 110.2 | K18 | E16-K18 WeakPolarHBondContact OE2-CE 3.39Š| ||
| 17 | P | 42.4 | Very low | 42.3 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -133.8 | 129 | 110.3 | 24.4 | -7.7 | 0 | 0 | 0 | 112.4 | |||||
| 18 | K | 37.9 | Very low | 41.8 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -55 | 130.9 | 162.1 | -61.8 | 171.1 | -177.8 | 175.1 | 0 | 109.3 | E16 | E16-K18 WeakPolarHBondContact OE2-CE 3.39Š| ||
| 19 | H | 34.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | trans | -127.8 | 111.6 | 149.1 | -141.7 | -71.2 | 0 | 0 | 0 | 108.1 | ||||
| 20 | E | 40.1 | Very low | 43 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -50.9 | 133.9 | 159.6 | -64.5 | 170.1 | 144.4 | 0 | 0 | 109.4 | ||||
| 21 | E | 36.8 | Very low | 43.4 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | 174.8 | 102.4 | 126.1 | -104.9 | -180 | 131.7 | 0 | 0 | 108.3 | P23 | E21-P23 WeakPolarHBondContact O-CD 3.46Š| |||
| 22 | E | 47.5 | Very low | 43.7 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | -62 | 135.5 | 141 | -75 | -177.1 | 156.2 | 0 | 0 | 107.5 | ||||
| 23 | P | 38.7 | Very low | 44.6 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -113.4 | 140.2 | 138.7 | 31.2 | -21.4 | 0 | 0 | 0 | 110 | E21 | E21-P23 WeakPolarHBondContact O-CD 3.46Š| ||
| 24 | K | 39.3 | Very low | 45.8 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | trans | -64.9 | 175.6 | -177.5 | -106.2 | 178.6 | -177 | 170.7 | 0 | 113.6 | ||||
| 25 | P | 58.3 | Low | 46.8 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | -83.2 | -177.3 | -156.6 | 39.2 | -38.2 | 0 | 0 | 0 | 113.5 | ||||
| 26 | E | 47.5 | Very low | 47.8 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | trans | 98.1 | 126.7 | -177.6 | -59.4 | 171.5 | 158.3 | 0 | 0 | 111.2 | ||||
| 27 | E | 48.2 | Very low | 48.6 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | cis | -144.9 | 137.5 | 16.1 | -62.9 | 169.9 | 122.4 | 0 | 0 | 105.9 | ||||
| 28 | K | 49 | Very low | 49.5 | Very low | 139 Ų | 139 | 145 Ų | 145 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | 178.1 | 95.6 | 108.2 | -85.9 | 167.1 | 173.2 | -165 | 0 | 109 | E30 E31 | K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E31 VanDerWaalsContact CD-OE2 3.27Å; K28-E31 WeakPolarHBondContact CD-OE2 3.4Å; K28-E31 IonicContact NZ-OE2 3.36Å; K28-E31 PolarHBondContact NZ-OE2 2.73Å | |||
| 29 | P | 51.6 | Low | 50.6 | Low | 88 Ų | 88 | 141.7 Ų | 141.7 | 57% | 0.571 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -71.1 | -26.9 | 170.2 | 24.7 | -28.8 | 0 | 0 | 0 | 112.4 | E33 | P29-E33 WeakPolarHBondContact O-CB 3.43Å; P29-E33 WeakPolarHBondContact O-CG 3.27Å; P29-E33 PolarHBondContact O-N 3.12Å; P29-E33 VanDerWaalsContact O-N 3.12Å |
| 30 | E | 52.6 | Low | 52.1 | Low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.1 | -36.5 | -172 | -67.9 | 179.5 | 160.3 | 0 | 0 | 114.2 | K28 E32 E34 | K28-E30 VanDerWaalsContact C-N 3.31Å; E30-E32 VanDerWaalsContact C-N 3.35Å; E30-E34 PolarHBondContact O-N 2.89Å |
| 31 | E | 52 | Low | 53.4 | Low | 96 Ų | 96 | 133.8 Ų | 133.8 | 45% | 0.449 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -78.2 | -22.1 | -175.8 | -154.7 | 173.7 | 177.8 | 0 | 0 | 112.4 | K28 K35 | K28-E31 VanDerWaalsContact CD-OE2 3.27Å; K28-E31 WeakPolarHBondContact CD-OE2 3.4Å; K28-E31 IonicContact NZ-OE2 3.36Å; K28-E31 PolarHBondContact NZ-OE2 2.73Å; E31-K35 WeakPolarHBondContact O-CG 3.22Å |
| 32 | E | 52.8 | Low | 54.9 | Low | 147 Ų | 147 | 128.3 Ų | 128.3 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.5 | -37.8 | 174.4 | -138.7 | 173.2 | -161.4 | 0 | 0 | 110.9 | E30 K35 L36 | E30-E32 VanDerWaalsContact C-N 3.35Å; E32-K35 PolarHBondContact O-N 3.34Å; E32-L36 WeakPolarHBondContact O-CB 3.49Å; E32-L36 PolarHBondContact O-N 2.92Å; E32-L36 VanDerWaalsContact O-N 3.13Å |
| 33 | E | 54.7 | Low | 56.1 | Low | 131 Ų | 131 | 124.9 Ų | 124.9 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.3 | -41.9 | 172.4 | -78.3 | -178.6 | 168.1 | 0 | 0 | 112.6 | P29 K35 L36 E37 | P29-E33 WeakPolarHBondContact O-CB 3.43Å; P29-E33 WeakPolarHBondContact O-CG 3.27Å; P29-E33 PolarHBondContact O-N 3.12Å; P29-E33 VanDerWaalsContact O-N 3.12Å; E33-K35 PolarHBondContact O-N 2.86Å; E33-L36 PolarHBondContact O-N 3.45Å; E33-E37 PolarHBondContact O-N 3.46Å |
| 34 | E | 57.9 | Low | 57.7 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.6 | -41.7 | 176.3 | -103.8 | -171.8 | 156.6 | 0 | 0 | 112.6 | E30 L36 E37 E38 | E30-E34 PolarHBondContact O-N 2.89Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-E37 PolarHBondContact O-N 3Å; E34-E38 PolarHBondContact O-N 3.06Å |
| 35 | K | 59.2 | Low | 59.8 | Low | 132 Ų | 132 | 114.6 Ų | 114.6 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.2 | -37.5 | 176.9 | -75.9 | 177 | -174.6 | 175.1 | 0 | 112.1 | E31 E32 E33 E38 E39 | E31-K35 WeakPolarHBondContact O-CG 3.22Å; E32-K35 PolarHBondContact O-N 3.34Å; E33-K35 PolarHBondContact O-N 2.86Å; K35-E38 PolarHBondContact O-N 3.48Å; K35-E39 WeakPolarHBondContact O-CB 3.45Å; K35-E39 PolarHBondContact O-N 3.13Å |
| 36 | L | 59.3 | Low | 61 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.5 | -37.3 | 177.1 | -127.4 | 144.9 | 0 | 0 | 0 | 111.3 | E32 E33 E34 A40 | E32-L36 WeakPolarHBondContact O-CB 3.49Å; E32-L36 PolarHBondContact O-N 2.92Å; E32-L36 VanDerWaalsContact O-N 3.13Å; E33-L36 PolarHBondContact O-N 3.45Å; E34-L36 VanDerWaalsContact C-N 3.34Å; L36-A40 VanDerWaalsContact O-CB 3.3Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 2.92Å |
| 37 | E | 60.1 | Low | 62.8 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 52% | 0.523 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -44.3 | 171.8 | -103.7 | -159 | 179.7 | 0 | 0 | 112.7 | E33 E34 E39 A40 K41 | E33-E37 PolarHBondContact O-N 3.46Å; E34-E37 PolarHBondContact O-N 3Å; E37-E39 VanDerWaalsContact C-N 3.34Å; E37-A40 PolarHBondContact O-N 3.41Å; E37-K41 WeakPolarHBondContact O-CB 3.3Å; E37-K41 WeakPolarHBondContact O-CG 3.21Å; E37-K41 PolarHBondContact O-N 3.27Å; E37-K41 IonicContact OE2-NZ 3.65Å; E37-K41 PolarHBondContact OE2-NZ 2.76Å |
| 38 | E | 61.5 | Low | 64.7 | Low | 138 Ų | 138 | 112.9 Ų | 112.9 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -42.7 | 174.5 | -100 | -166 | 147.8 | 0 | 0 | 111.6 | E34 K35 A40 K41 A42 | E34-E38 PolarHBondContact O-N 3.06Å; K35-E38 PolarHBondContact O-N 3.48Å; E38-A40 VanDerWaalsContact C-N 3.34Å; E38-A40 PolarHBondContact O-N 3.12Å; E38-K41 PolarHBondContact O-N 3.37Å; E38-A42 VanDerWaalsContact O-CB 3.22Å; E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 2.93Å |
| 39 | E | 62 | Low | 66.6 | Low | 101 Ų | 101 | 113 Ų | 113 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -37.8 | 177.1 | -159.6 | -165.1 | 163.9 | 0 | 0 | 111.4 | K35 E37 K43 | K35-E39 WeakPolarHBondContact O-CB 3.45Å; K35-E39 PolarHBondContact O-N 3.13Å; E37-E39 VanDerWaalsContact C-N 3.34Å; E39-K43 HydrophobicContact CG-CD 4.47Å; E39-K43 WeakPolarHBondContact O-CB 3.35Å; E39-K43 WeakPolarHBondContact O-CG 3.32Å; E39-K43 PolarHBondContact O-N 3.33Å; E39-K43 WeakPolarHBondContact OE1-CE 3.35Å; E39-K43 IonicContact OE1-NZ 2.73Å; E39-K43 PolarHBondContact OE1-NZ 3.13Å; E39-K43 IonicContact OE2-NZ 2.76Å |
| 40 | A | 64.2 | Low | 68.4 | Low | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L36 E37 E38 K43 G44 | L36-A40 VanDerWaalsContact O-CB 3.3Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 2.92Å; E37-A40 PolarHBondContact O-N 3.41Å; E38-A40 VanDerWaalsContact C-N 3.34Å; E38-A40 PolarHBondContact O-N 3.12Å; A40-K43 PolarHBondContact O-N 3.15Å; A40-G44 PolarHBondContact O-N 3.49Å |
| 41 | K | 69 | Low | 70.1 | Confident | 124 Ų | 124 | 110.8 Ų | 110.8 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.1 | -71.5 | 165.7 | -169.2 | 161.2 | 0 | 110.7 | E37 E38 K43 G44 T45 | E37-K41 WeakPolarHBondContact O-CB 3.3Å; E37-K41 WeakPolarHBondContact O-CG 3.21Å; E37-K41 PolarHBondContact O-N 3.27Å; E37-K41 IonicContact OE2-NZ 3.65Å; E37-K41 PolarHBondContact OE2-NZ 2.76Å; E38-K41 PolarHBondContact O-N 3.37Å; K41-K43 PolarHBondContact O-N 3.32Å; K41-G44 WeakPolarHBondContact O-CA 3.5Å; K41-G44 PolarHBondContact O-N 3.4Å; K41-G44 VanDerWaalsContact O-N 3.12Å; K41-T45 WeakPolarHBondContact O-CG2 3.28Å; K41-T45 PolarHBondContact O-N 2.96Å |
| 42 | A | 68.1 | Low | 71.8 | Confident | 52 Ų | 52 | 112.5 Ų | 112.5 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E38 G44 T45 F46 | E38-A42 VanDerWaalsContact O-CB 3.22Å; E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 2.93Å; A42-G44 VanDerWaalsContact C-N 3.3Å; A42-G44 PolarHBondContact O-N 2.98Å; A42-T45 PolarHBondContact O-N 2.8Å; A42-T45 PolarHBondContact O-OG1 2.94Å; A42-F46 PolarHBondContact O-N 3.49Å |
| 43 | K | 71.4 | Confident | 73.4 | Confident | 110 Ų | 110 | 108.8 Ų | 108.8 | 48% | 0.478 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 172.8 | -77.1 | 167.6 | -176.2 | 163.4 | 0 | 112.3 | E39 A40 K41 R47 | E39-K43 HydrophobicContact CG-CD 4.47Å; E39-K43 WeakPolarHBondContact O-CB 3.35Å; E39-K43 WeakPolarHBondContact O-CG 3.32Å; E39-K43 PolarHBondContact O-N 3.33Å; E39-K43 WeakPolarHBondContact OE1-CE 3.35Å; E39-K43 IonicContact OE1-NZ 2.73Å; E39-K43 PolarHBondContact OE1-NZ 3.13Å; E39-K43 IonicContact OE2-NZ 2.76Å; A40-K43 PolarHBondContact O-N 3.15Å; K41-K43 PolarHBondContact O-N 3.32Å; K43-R47 VanDerWaalsContact O-CG 3.32Å; K43-R47 WeakPolarHBondContact O-CG 3.46Å; K43-R47 PolarHBondContact O-N 2.86Å; K43-R47 VanDerWaalsContact O-N 3.15Å |
| 44 | G | 72.8 | Confident | 74.8 | Confident | 28 Ų | 28 | 107.6 Ų | 107.6 | 29% | 0.289 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -52.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A40 K41 A42 F46 R47 E48 | A40-G44 PolarHBondContact O-N 3.49Å; K41-G44 WeakPolarHBondContact O-CA 3.5Å; K41-G44 PolarHBondContact O-N 3.4Å; K41-G44 VanDerWaalsContact O-N 3.12Å; A42-G44 VanDerWaalsContact C-N 3.3Å; A42-G44 PolarHBondContact O-N 2.98Å; G44-F46 VanDerWaalsContact C-N 3.3Å; G44-F46 PolarHBondContact O-N 3.03Å; G44-R47 WeakPolarHBondContact O-CB 3.33Å; G44-R47 PolarHBondContact O-N 3.27Å; G44-R47 VanDerWaalsContact O-N 3.13Å; G44-E48 PolarHBondContact O-N 3.36Å |
| 45 | T | 83.9 | Confident | 75.9 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 179.3 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | K41 A42 E48 K49 | K41-T45 WeakPolarHBondContact O-CG2 3.28Å; K41-T45 PolarHBondContact O-N 2.96Å; A42-T45 PolarHBondContact O-N 2.8Å; A42-T45 PolarHBondContact O-OG1 2.94Å; T45-E48 PolarHBondContact O-N 2.9Å; T45-K49 WeakPolarHBondContact O-CB 3.22Å; T45-K49 WeakPolarHBondContact O-CG 3.35Å; T45-K49 PolarHBondContact O-N 3.48Å |
| 46 | F | 82.9 | Confident | 76.9 | Confident | 133 Ų | 133 | 106.5 Ų | 106.5 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 174.8 | 177.8 | -98.7 | 0 | 0 | 0 | 111.4 | A42 G44 K49 L50 | A42-F46 PolarHBondContact O-N 3.49Å; G44-F46 VanDerWaalsContact C-N 3.3Å; G44-F46 PolarHBondContact O-N 3.03Å; F46-K49 PolarHBondContact O-N 3.44Å; F46-L50 WeakPolarHBondContact O-CB 3.48Å; F46-L50 PolarHBondContact O-N 2.98Å |
| 47 | R | 85.9 | Confident | 77.6 | Confident | 176 Ų | 176 | 106.9 Ų | 106.9 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 177.1 | -72.6 | 174.5 | 179.7 | -135.7 | 1.6 | 111.9 | K43 G44 L50 I51 | K43-R47 VanDerWaalsContact O-CG 3.32Å; K43-R47 WeakPolarHBondContact O-CG 3.46Å; K43-R47 PolarHBondContact O-N 2.86Å; K43-R47 VanDerWaalsContact O-N 3.15Å; G44-R47 WeakPolarHBondContact O-CB 3.33Å; G44-R47 PolarHBondContact O-N 3.27Å; G44-R47 VanDerWaalsContact O-N 3.13Å; R47-L50 WeakPolarHBondContact O-CB 3.34Å; R47-L50 PolarHBondContact O-N 2.79Å; R47-I51 VanDerWaalsContact O-CG1 3.28Å; R47-I51 WeakPolarHBondContact O-CG1 3.5Å; R47-I51 PolarHBondContact O-N 3.3Å |
| 48 | E | 88 | Confident | 78.1 | Confident | 132 Ų | 132 | 108.6 Ų | 108.6 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 176.4 | -70.3 | 170.8 | 177.6 | 0 | 0 | 111.9 | G44 T45 L50 I51 Q52 | G44-E48 PolarHBondContact O-N 3.36Å; T45-E48 PolarHBondContact O-N 2.9Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 3.2Å; E48-I51 PolarHBondContact O-N 3Å; E48-Q52 PolarHBondContact O-N 3.23Å |
| 49 | K | 88.4 | Confident | 78.2 | Confident | 142 Ų | 142 | 107 Ų | 107 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -38.5 | 174.3 | -74 | 175.3 | 179.6 | 174.4 | 0 | 112.4 | T45 F46 Q52 S53 | T45-K49 WeakPolarHBondContact O-CB 3.22Å; T45-K49 WeakPolarHBondContact O-CG 3.35Å; T45-K49 PolarHBondContact O-N 3.48Å; F46-K49 PolarHBondContact O-N 3.44Å; K49-Q52 PolarHBondContact O-N 2.95Å; K49-S53 WeakPolarHBondContact O-CB 3.45Å; K49-S53 PolarHBondContact O-N 3.41Å |
| 50 | L | 89.8 | Confident | 78.4 | Confident | 87 Ų | 87 | 105.9 Ų | 105.9 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.1 | -172.2 | 77.3 | 0 | 0 | 0 | 111.4 | F46 R47 E48 S53 L54 | F46-L50 WeakPolarHBondContact O-CB 3.48Å; F46-L50 PolarHBondContact O-N 2.98Å; R47-L50 WeakPolarHBondContact O-CB 3.34Å; R47-L50 PolarHBondContact O-N 2.79Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 3.2Å; L50-S53 PolarHBondContact O-N 3.49Å; L50-L54 HydrophobicContact CG-CD1 4.29Å; L50-L54 WeakPolarHBondContact O-CB 3.1Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.22Å |
| 51 | I | 88.6 | Confident | 78.5 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 56% | 0.559 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 177.8 | -68.9 | 164 | 0 | 0 | 0 | 110.7 | R47 E48 L54 Q55 | R47-I51 VanDerWaalsContact O-CG1 3.28Å; R47-I51 WeakPolarHBondContact O-CG1 3.5Å; R47-I51 PolarHBondContact O-N 3.3Å; E48-I51 PolarHBondContact O-N 3Å; I51-L54 PolarHBondContact O-N 3.23Å; I51-Q55 PolarHBondContact O-N 2.65Å |
| 52 | Q | 87.8 | Confident | 78.3 | Confident | 132 Ų | 132 | 108.6 Ų | 108.6 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 176.8 | -172.7 | 177.2 | 10.3 | 0 | 0 | 111.6 | E48 K49 L54 Q55 E56 | E48-Q52 PolarHBondContact O-N 3.23Å; K49-Q52 PolarHBondContact O-N 2.95Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.35Å; Q52-Q55 PolarHBondContact O-N 2.97Å; Q52-E56 PolarHBondContact O-N 3.43Å |
| 53 | S | 85 | Confident | 77.9 | Confident | 69 Ų | 69 | 112.3 Ų | 112.3 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | K49 L50 Q55 F57 | K49-S53 WeakPolarHBondContact O-CB 3.45Å; K49-S53 PolarHBondContact O-N 3.41Å; L50-S53 PolarHBondContact O-N 3.49Å; S53-Q55 VanDerWaalsContact C-N 3.33Å; S53-Q55 PolarHBondContact O-N 2.95Å; S53-F57 VanDerWaalsContact O-CB 3.27Å; S53-F57 WeakPolarHBondContact O-CB 2.93Å; S53-F57 PolarHBondContact O-N 3.44Å |
| 54 | L | 84.8 | Confident | 77.7 | Confident | 105 Ų | 105 | 115.6 Ų | 115.6 | 55% | 0.55 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -36.7 | 175.6 | -78.2 | 168.6 | 0 | 0 | 0 | 112.4 | L50 I51 Q52 K58 | L50-L54 HydrophobicContact CG-CD1 4.29Å; L50-L54 WeakPolarHBondContact O-CB 3.1Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.22Å; I51-L54 PolarHBondContact O-N 3.23Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.35Å; L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 PolarHBondContact O-N 3.1Å; L54-K58 VanDerWaalsContact O-N 3.1Å |
| 55 | Q | 82.2 | Confident | 77.3 | Confident | 114 Ų | 114 | 121.9 Ų | 121.9 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.4 | -45.6 | 178.1 | -169.9 | 174 | -17.2 | 0 | 0 | 111.5 | I51 Q52 S53 F57 K58 E59 | I51-Q55 PolarHBondContact O-N 2.65Å; Q52-Q55 PolarHBondContact O-N 2.97Å; S53-Q55 VanDerWaalsContact C-N 3.33Å; S53-Q55 PolarHBondContact O-N 2.95Å; Q55-F57 VanDerWaalsContact C-N 3.33Å; Q55-F57 PolarHBondContact O-N 3.46Å; Q55-K58 PolarHBondContact O-N 2.91Å; Q55-E59 PolarHBondContact O-N 3.43Å |
| 56 | E | 78.4 | Confident | 76.3 | Confident | 134 Ų | 134 | 125 Ų | 125 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.6 | -41.6 | 175.3 | -172.5 | 173.6 | -165.4 | 0 | 0 | 111.7 | Q52 K58 E59 D60 | Q52-E56 PolarHBondContact O-N 3.43Å; E56-K58 PolarHBondContact O-N 3.2Å; E56-E59 PolarHBondContact O-N 3.34Å; E56-D60 PolarHBondContact O-N 3.01Å |
| 57 | F | 74.8 | Confident | 75.6 | Confident | 124 Ų | 124 | 121.3 Ų | 121.3 | 54% | 0.544 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -38.2 | 176.3 | -177.5 | -107.7 | 0 | 0 | 0 | 113 | S53 Q55 E59 D60 I61 | S53-F57 VanDerWaalsContact O-CB 3.27Å; S53-F57 WeakPolarHBondContact O-CB 2.93Å; S53-F57 PolarHBondContact O-N 3.44Å; Q55-F57 VanDerWaalsContact C-N 3.33Å; Q55-F57 PolarHBondContact O-N 3.46Å; F57-E59 VanDerWaalsContact C-N 3.28Å; F57-E59 PolarHBondContact O-N 3.45Å; F57-D60 PolarHBondContact O-N 3.3Å; F57-I61 HydrophobicContact CD1-CD1 3.66Å; F57-I61 HydrophobicContact CD1-CG1 4.49Å; F57-I61 HydrophobicContact CE1-CD1 3.16Å; F57-I61 HydrophobicContact CE1-CG1 4.14Å; F57-I61 HydrophobicContact CE2-CD1 4.13Å; F57-I61 HydrophobicContact CE2-CG1 4.24Å; F57-I61 HydrophobicContact CG-CD1 4.33Å; F57-I61 HydrophobicContact CZ-CD1 3.43Å; F57-I61 VanDerWaalsContact CZ-CD1 3.43Å; F57-I61 HydrophobicContact CZ-CG1 4Å; F57-I61 WeakPolarHBondContact O-CG1 3.44Å; F57-I61 PolarHBondContact O-N 3.47Å |
| 58 | K | 70.4 | Confident | 74.6 | Confident | 147 Ų | 147 | 118.4 Ų | 118.4 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.7 | -33.5 | 177.8 | -169.7 | -179.4 | -179.8 | -173.7 | 0 | 112 | L54 Q55 E56 H62 | L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 PolarHBondContact O-N 3.1Å; L54-K58 VanDerWaalsContact O-N 3.1Å; Q55-K58 PolarHBondContact O-N 2.91Å; E56-K58 PolarHBondContact O-N 3.2Å; K58-H62 PolarHBondContact O-CD2 3.21Å |
| 59 | E | 63.4 | Low | 73.4 | Confident | 104 Ų | 104 | 118.8 Ų | 118.8 | 49% | 0.486 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.3 | -35 | 177 | -68.8 | 172.1 | -165.7 | 0 | 0 | 111.6 | Q55 E56 F57 N63 | Q55-E59 PolarHBondContact O-N 3.43Å; E56-E59 PolarHBondContact O-N 3.34Å; F57-E59 VanDerWaalsContact C-N 3.28Å; F57-E59 PolarHBondContact O-N 3.45Å; E59-N63 VanDerWaalsContact O-CB 3.22Å; E59-N63 WeakPolarHBondContact O-CB 3.22Å; E59-N63 PolarHBondContact O-N 3.05Å; E59-N63 VanDerWaalsContact O-N 3.11Å; E59-N63 PolarHBondContact O-ND2 2.95Å |
| 60 | D | 66.6 | Low | 72.2 | Confident | 79 Ų | 79 | 115.7 Ų | 115.7 | 42% | 0.422 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.8 | -35.7 | -178.9 | -167.1 | 43.9 | 0 | 0 | 0 | 113.5 | E56 F57 H62 R64 | E56-D60 PolarHBondContact O-N 3.01Å; F57-D60 PolarHBondContact O-N 3.3Å; D60-H62 VanDerWaalsContact C-N 3.28Å; D60-H62 PolarHBondContact O-N 3.11Å; D60-R64 VanDerWaalsContact OD1-CD 3.3Å; D60-R64 WeakPolarHBondContact OD1-CD 3.27Å; D60-R64 IonicContact OD1-NE 3.29Å; D60-R64 PolarHBondContact OD1-NE 3.45Å |
| 61 | I | 66.9 | Low | 71 | Confident | 97 Ų | 97 | 115.7 Ų | 115.7 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.7 | -36.6 | 178.9 | -66.7 | 164.7 | 0 | 0 | 0 | 111.8 | F57 | F57-I61 HydrophobicContact CD1-CD1 3.66Å; F57-I61 HydrophobicContact CD1-CG1 4.49Å; F57-I61 HydrophobicContact CE1-CD1 3.16Å; F57-I61 HydrophobicContact CE1-CG1 4.14Å; F57-I61 HydrophobicContact CE2-CD1 4.13Å; F57-I61 HydrophobicContact CE2-CG1 4.24Å; F57-I61 HydrophobicContact CG-CD1 4.33Å; F57-I61 HydrophobicContact CZ-CD1 3.43Å; F57-I61 VanDerWaalsContact CZ-CD1 3.43Å; F57-I61 HydrophobicContact CZ-CG1 4Å; F57-I61 WeakPolarHBondContact O-CG1 3.44Å; F57-I61 PolarHBondContact O-N 3.47Å |
| 62 | H | 64.9 | Low | 69.8 | Low | 140 Ų | 140 | 117 Ų | 117 | 65% | 0.648 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -99.9 | -21.9 | -171.7 | -64.8 | -55.5 | 0 | 0 | 0 | 114 | K58 D60 | K58-H62 PolarHBondContact O-CD2 3.21Å; D60-H62 VanDerWaalsContact C-N 3.28Å; D60-H62 PolarHBondContact O-N 3.11Å |
| 63 | N | 59.8 | Low | 68.9 | Low | 130 Ų | 130 | 117.7 Ų | 117.7 | 70% | 0.695 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -90 | -13.9 | -177.3 | -78.1 | -31.4 | 0 | 0 | 0 | 115.1 | E59 | E59-N63 VanDerWaalsContact O-CB 3.22Å; E59-N63 WeakPolarHBondContact O-CB 3.22Å; E59-N63 PolarHBondContact O-N 3.05Å; E59-N63 VanDerWaalsContact O-N 3.11Å; E59-N63 PolarHBondContact O-ND2 2.95Å |
| 64 | R | 66.6 | Low | 68.2 | Low | 180 Ų | 180 | 120.4 Ų | 120.4 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -79 | -19.9 | -170.1 | -102.5 | -177.1 | 168.7 | -157.3 | -5.3 | 116.3 | D60 | D60-R64 VanDerWaalsContact OD1-CD 3.3Å; D60-R64 WeakPolarHBondContact OD1-CD 3.27Å; D60-R64 IonicContact OD1-NE 3.29Å; D60-R64 PolarHBondContact OD1-NE 3.45Å |
| 65 | H | 64.6 | Low | 67.7 | Low | 159 Ų | 159 | 119.1 Ų | 119.1 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -144 | 11.2 | -166.3 | -79.2 | -54.9 | 0 | 0 | 0 | 118.6 | ||
| 66 | L | 62.7 | Low | 67.7 | Low | 131 Ų | 131 | 118.8 Ų | 118.8 | 69% | 0.686 | 57% | 0.569 | S | S | * | * | trans | -137.1 | 63.1 | 173.4 | -65 | 170.8 | 0 | 0 | 0 | 109.8 | N68 M71 | L66-N68 PolarHBondContact O-N 3.33Å; L66-M71 HydrophobicContact CD2-CG 4.45Å | ||
| 67 | S | 68.2 | Low | 68 | Low | 56 Ų | 56 | 117.4 Ų | 117.4 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | trans | -62.2 | 135.1 | 161.8 | 85.4 | 0 | 0 | 0 | 0 | 107.1 | E69 D70 | S67-E69 PolarHBondContact O-N 3.34Å; S67-D70 PolarHBondContact O-N 3.24Å; S67-D70 VanDerWaalsContact OG-CG 3.25Å; S67-D70 PolarHBondContact OG-N 3.4Å; S67-D70 PolarHBondContact OG-OD2 3.48Å | ||
| 68 | N | 64.8 | Low | 68.7 | Low | 116 Ų | 116 | 115.4 Ų | 115.4 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54 | -27.5 | 178.2 | -69 | -50.7 | 0 | 0 | 0 | 111.4 | L66 M71 F72 | L66-N68 PolarHBondContact O-N 3.33Å; N68-M71 PolarHBondContact O-N 3.38Å; N68-F72 HydrophobicContact CB-CE2 4.35Å; N68-F72 WeakPolarHBondContact O-CD2 3.41Å; N68-F72 WeakPolarHBondContact O-CE2 3.3Å; N68-F72 PolarHBondContact O-N 3.47Å |
| 69 | E | 62.8 | Low | 69.7 | Low | 139 Ų | 139 | 111.8 Ų | 111.8 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 175.9 | -157.3 | 87.4 | -165.3 | 0 | 0 | 113.2 | S67 F72 R73 | S67-E69 PolarHBondContact O-N 3.34Å; E69-F72 PolarHBondContact O-N 2.99Å; E69-R73 PolarHBondContact O-N 2.7Å |
| 70 | D | 63.8 | Low | 71.1 | Confident | 78 Ų | 78 | 112.4 Ų | 112.4 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.7 | -35.9 | -179 | -63.6 | -45.6 | 0 | 0 | 0 | 111.4 | S67 F72 R73 E74 | S67-D70 PolarHBondContact O-N 3.24Å; S67-D70 VanDerWaalsContact OG-CG 3.25Å; S67-D70 PolarHBondContact OG-N 3.4Å; S67-D70 PolarHBondContact OG-OD2 3.48Å; D70-F72 VanDerWaalsContact C-N 3.32Å; D70-F72 PolarHBondContact O-N 3.35Å; D70-R73 PolarHBondContact O-N 3.36Å; D70-E74 PolarHBondContact O-N 3.06Å |
| 71 | M | 65.1 | Low | 72.3 | Confident | 86 Ų | 86 | 114.3 Ų | 114.3 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -37.6 | 176.3 | -72.6 | 176.3 | 29.3 | 0 | 0 | 112.7 | L66 N68 V75 | L66-M71 HydrophobicContact CD2-CG 4.45Å; N68-M71 PolarHBondContact O-N 3.38Å; M71-V75 WeakPolarHBondContact O-CG2 3.33Å |
| 72 | F | 62.1 | Low | 73.7 | Confident | 138 Ų | 138 | 115.8 Ų | 115.8 | 61% | 0.605 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -76.6 | -35.2 | 178.8 | -68.9 | -64.5 | 0 | 0 | 0 | 112.2 | N68 E69 D70 E74 V75 D76 | N68-F72 HydrophobicContact CB-CE2 4.35Å; N68-F72 WeakPolarHBondContact O-CD2 3.41Å; N68-F72 WeakPolarHBondContact O-CE2 3.3Å; N68-F72 PolarHBondContact O-N 3.47Å; E69-F72 PolarHBondContact O-N 2.99Å; D70-F72 VanDerWaalsContact C-N 3.32Å; D70-F72 PolarHBondContact O-N 3.35Å; F72-E74 PolarHBondContact O-N 3.36Å; F72-V75 PolarHBondContact O-N 3.24Å; F72-D76 PolarHBondContact O-N 3.24Å |
| 73 | R | 68.8 | Low | 75.2 | Confident | 146 Ų | 146 | 117.4 Ų | 117.4 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.5 | -42.1 | 177.6 | -167.3 | -178.9 | -65.7 | -100.1 | -3 | 112.2 | E69 D70 V75 D76 E77 | E69-R73 PolarHBondContact O-N 2.7Å; D70-R73 PolarHBondContact O-N 3.36Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 3.05Å; R73-D76 PolarHBondContact O-N 3.49Å; R73-E77 WeakPolarHBondContact O-CG 3.4Å; R73-E77 PolarHBondContact O-N 3.17Å; R73-E77 VanDerWaalsContact O-N 3.09Å |
| 74 | E | 70.6 | Confident | 76.9 | Confident | 125 Ų | 125 | 115.4 Ų | 115.4 | 58% | 0.584 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -35.5 | 176.1 | -74.1 | -176.5 | 178.5 | 0 | 0 | 112.8 | D70 F72 I78 | D70-E74 PolarHBondContact O-N 3.06Å; F72-E74 PolarHBondContact O-N 3.36Å; E74-I78 WeakPolarHBondContact O-CB 3.19Å; E74-I78 WeakPolarHBondContact O-CD1 3.35Å; E74-I78 WeakPolarHBondContact O-CG1 3.47Å; E74-I78 PolarHBondContact O-N 3.38Å |
| 75 | V | 75 | Confident | 78.3 | Confident | 78 Ų | 78 | 113.3 Ų | 113.3 | 47% | 0.473 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 179 | 173.9 | 0 | 0 | 0 | 0 | 111 | M71 F72 R73 I78 D79 | M71-V75 WeakPolarHBondContact O-CG2 3.33Å; F72-V75 PolarHBondContact O-N 3.24Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 3.05Å; V75-I78 PolarHBondContact O-N 3.09Å; V75-D79 PolarHBondContact O-N 3.37Å |
| 76 | D | 81.3 | Confident | 79.7 | Confident | 108 Ų | 108 | 109.6 Ų | 109.6 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 178.5 | -75.9 | -22 | 0 | 0 | 0 | 111.6 | F72 R73 I78 D79 E80 | F72-D76 PolarHBondContact O-N 3.24Å; R73-D76 PolarHBondContact O-N 3.49Å; D76-I78 PolarHBondContact O-N 2.91Å; D76-D79 PolarHBondContact O-N 3.22Å; D76-E80 WeakPolarHBondContact O-CG 3.29Å; D76-E80 PolarHBondContact O-N 3.31Å |
| 77 | E | 85.9 | Confident | 81.3 | Confident | 105 Ų | 105 | 109.8 Ų | 109.8 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.1 | -72.6 | 176.4 | -168.9 | 0 | 0 | 112.1 | R73 D79 E80 I81 | R73-E77 WeakPolarHBondContact O-CG 3.4Å; R73-E77 PolarHBondContact O-N 3.17Å; R73-E77 VanDerWaalsContact O-N 3.09Å; E77-D79 VanDerWaalsContact C-N 3.31Å; E77-D79 PolarHBondContact O-N 2.96Å; E77-E80 PolarHBondContact O-N 2.92Å; E77-I81 VanDerWaalsContact O-CG1 3.31Å; E77-I81 WeakPolarHBondContact O-CG1 3.32Å; E77-I81 PolarHBondContact O-N 3.29Å |
| 78 | I | 88.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 112.2 Ų | 112.2 | 42% | 0.415 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.4 | -71.8 | 166.8 | 0 | 0 | 0 | 110.9 | E74 V75 D76 I81 R82 | E74-I78 WeakPolarHBondContact O-CB 3.19Å; E74-I78 WeakPolarHBondContact O-CD1 3.35Å; E74-I78 WeakPolarHBondContact O-CG1 3.47Å; E74-I78 PolarHBondContact O-N 3.38Å; V75-I78 PolarHBondContact O-N 3.09Å; D76-I78 PolarHBondContact O-N 2.91Å; I78-I81 PolarHBondContact O-N 3.45Å; I78-R82 VanDerWaalsContact O-CG 3.29Å; I78-R82 WeakPolarHBondContact O-CG 3.41Å; I78-R82 PolarHBondContact O-N 3.44Å |
| 79 | D | 90.8 | Very high | 84 | Confident | 71 Ų | 71 | 111.3 Ų | 111.3 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.9 | -33.1 | 178.8 | -83.4 | -9.7 | 0 | 0 | 0 | 112.6 | V75 D76 E77 R82 R83 | V75-D79 PolarHBondContact O-N 3.37Å; D76-D79 PolarHBondContact O-N 3.22Å; E77-D79 VanDerWaalsContact C-N 3.31Å; E77-D79 PolarHBondContact O-N 2.96Å; D79-R82 PolarHBondContact O-N 3.39Å; D79-R82 IonicContact OD1-NH1 2.65Å; D79-R82 PolarHBondContact OD1-NH1 3.42Å; D79-R83 WeakPolarHBondContact O-CB 3.31Å; D79-R83 PolarHBondContact O-N 3.47Å |
| 80 | E | 92.6 | Very high | 85.4 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 169.4 | -74.1 | -170.1 | 172.6 | 0 | 0 | 112.2 | D76 E77 R82 R83 V84 | D76-E80 WeakPolarHBondContact O-CG 3.29Å; D76-E80 PolarHBondContact O-N 3.31Å; E77-E80 PolarHBondContact O-N 2.92Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.5Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.21Å; E80-R83 VanDerWaalsContact O-N 3.15Å; E80-V84 WeakPolarHBondContact O-CG2 3.29Å; E80-V84 PolarHBondContact O-N 3.45Å |
| 81 | I | 93.5 | Very high | 86.7 | Confident | 119 Ų | 119 | 109.6 Ų | 109.6 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.1 | -45.4 | 176 | -68.5 | 166.5 | 0 | 0 | 0 | 110.4 | E77 I78 R83 V84 R85 | E77-I81 VanDerWaalsContact O-CG1 3.31Å; E77-I81 WeakPolarHBondContact O-CG1 3.32Å; E77-I81 PolarHBondContact O-N 3.29Å; I78-I81 PolarHBondContact O-N 3.45Å; I81-R83 VanDerWaalsContact C-N 3.33Å; I81-R83 PolarHBondContact O-N 3.01Å; I81-V84 PolarHBondContact O-N 2.99Å; I81-R85 VanDerWaalsContact O-CB 3.29Å; I81-R85 WeakPolarHBondContact O-CB 3.48Å; I81-R85 PolarHBondContact O-N 2.94Å |
| 82 | R | 94.8 | Very high | 87.8 | Confident | 127 Ų | 127 | 114.6 Ų | 114.6 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.4 | -74.9 | 169.9 | 174.2 | 174.8 | -1.1 | 111.9 | I78 D79 E80 N86 | I78-R82 VanDerWaalsContact O-CG 3.29Å; I78-R82 WeakPolarHBondContact O-CG 3.41Å; I78-R82 PolarHBondContact O-N 3.44Å; D79-R82 PolarHBondContact O-N 3.39Å; D79-R82 IonicContact OD1-NH1 2.65Å; D79-R82 PolarHBondContact OD1-NH1 3.42Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.5Å; R82-N86 WeakPolarHBondContact O-CB 3.45Å; R82-N86 VanDerWaalsContact O-CG 3.27Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 PolarHBondContact O-OD1 3.45Å |
| 83 | R | 96 | Very high | 88.9 | Confident | 175 Ų | 175 | 114.5 Ų | 114.5 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | 178.2 | -169.3 | -174.5 | -60.9 | 170.1 | 2.9 | 111.5 | D79 E80 I81 N86 K87 | D79-R83 WeakPolarHBondContact O-CB 3.31Å; D79-R83 PolarHBondContact O-N 3.47Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.21Å; E80-R83 VanDerWaalsContact O-N 3.15Å; I81-R83 VanDerWaalsContact C-N 3.33Å; I81-R83 PolarHBondContact O-N 3.01Å; R83-N86 PolarHBondContact O-N 2.92Å; R83-K87 WeakPolarHBondContact O-CB 3.45Å; R83-K87 PolarHBondContact O-N 3.41Å |
| 84 | V | 96.3 | Very high | 89.8 | Confident | 87 Ų | 87 | 114.3 Ų | 114.3 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 178.2 | 175 | 0 | 0 | 0 | 0 | 110.8 | E80 I81 N86 K87 L88 | E80-V84 WeakPolarHBondContact O-CG2 3.29Å; E80-V84 PolarHBondContact O-N 3.45Å; I81-V84 PolarHBondContact O-N 2.99Å; V84-N86 PolarHBondContact O-N 3.15Å; V84-K87 WeakPolarHBondContact O-CB 3.45Å; V84-K87 PolarHBondContact O-N 3.43Å; V84-L88 HydrophobicContact CG1-CD1 4.22Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.89Å |
| 85 | R | 95.8 | Very high | 90.4 | Very high | 136 Ų | 136 | 113.1 Ų | 113.1 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.7 | -49.3 | 176.4 | -176.2 | -166.6 | 68.9 | -175.3 | -0.4 | 111.8 | I81 K87 L88 I89 | I81-R85 VanDerWaalsContact O-CB 3.29Å; I81-R85 WeakPolarHBondContact O-CB 3.48Å; I81-R85 PolarHBondContact O-N 2.94Å; R85-K87 VanDerWaalsContact C-N 3.31Å; R85-K87 PolarHBondContact O-N 2.93Å; R85-L88 PolarHBondContact O-N 3.37Å; R85-I89 HydrophobicContact CG-CD1 4.04Å; R85-I89 WeakPolarHBondContact O-CG1 3.28Å; R85-I89 PolarHBondContact O-N 2.94Å |
| 86 | N | 95.4 | Very high | 90.6 | Very high | 81 Ų | 81 | 113.6 Ų | 113.6 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 179.6 | -75.2 | 1.3 | 0 | 0 | 0 | 111.4 | R82 R83 V84 L88 I89 V90 | R82-N86 WeakPolarHBondContact O-CB 3.45Å; R82-N86 VanDerWaalsContact O-CG 3.27Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 PolarHBondContact O-OD1 3.45Å; R83-N86 PolarHBondContact O-N 2.92Å; V84-N86 PolarHBondContact O-N 3.15Å; N86-L88 PolarHBondContact O-N 3.37Å; N86-I89 PolarHBondContact O-N 3.3Å; N86-V90 WeakPolarHBondContact O-CG2 3.43Å; N86-V90 PolarHBondContact O-N 2.95Å |
| 87 | K | 95.9 | Very high | 90.1 | Very high | 135 Ų | 135 | 116.4 Ų | 116.4 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.3 | -44.6 | 174.7 | -173.4 | 172 | -178.7 | 177.9 | 0 | 111.8 | R83 V84 R85 V90 M91 | R83-K87 WeakPolarHBondContact O-CB 3.45Å; R83-K87 PolarHBondContact O-N 3.41Å; V84-K87 WeakPolarHBondContact O-CB 3.45Å; V84-K87 PolarHBondContact O-N 3.43Å; R85-K87 VanDerWaalsContact C-N 3.31Å; R85-K87 PolarHBondContact O-N 2.93Å; K87-V90 PolarHBondContact O-N 3.49Å; K87-M91 HydrophobicContact CD-CE 4.38Å; K87-M91 HydrophobicContact CG-CE 4.08Å; K87-M91 HydrophobicContact CG-SD 4.29Å; K87-M91 WeakPolarHBondContact O-CB 3.35Å; K87-M91 VanDerWaalsContact O-CG 3.28Å; K87-M91 WeakPolarHBondContact O-CG 3.34Å; K87-M91 PolarHBondContact O-N 3.23Å |
| 88 | L | 94.9 | Very high | 89.1 | Confident | 107 Ų | 107 | 117.6 Ų | 117.6 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 176.4 | -69.7 | 174.7 | 0 | 0 | 0 | 112.3 | V84 R85 N86 M91 R92 | V84-L88 HydrophobicContact CG1-CD1 4.22Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.89Å; R85-L88 PolarHBondContact O-N 3.37Å; N86-L88 PolarHBondContact O-N 3.37Å; L88-M91 PolarHBondContact O-N 2.91Å; L88-R92 WeakPolarHBondContact O-CB 3.32Å; L88-R92 PolarHBondContact O-N 3.39Å |
| 89 | I | 93.3 | Very high | 87.9 | Confident | 98 Ų | 98 | 119.6 Ų | 119.6 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.2 | -47.2 | 175.3 | -69.8 | 167.9 | 0 | 0 | 0 | 110.6 | R85 N86 R92 W93 | R85-I89 HydrophobicContact CG-CD1 4.04Å; R85-I89 WeakPolarHBondContact O-CG1 3.28Å; R85-I89 PolarHBondContact O-N 2.94Å; N86-I89 PolarHBondContact O-N 3.3Å; I89-R92 PolarHBondContact O-N 3.46Å; I89-W93 VanDerWaalsContact O-CB 3.32Å; I89-W93 WeakPolarHBondContact O-CB 3.28Å; I89-W93 PolarHBondContact O-N 3.19Å |
| 90 | V | 92.7 | Very high | 86.8 | Confident | 83 Ų | 83 | 121.3 Ų | 121.3 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 111 | N86 K87 W93 K94 | N86-V90 WeakPolarHBondContact O-CG2 3.43Å; N86-V90 PolarHBondContact O-N 2.95Å; K87-V90 PolarHBondContact O-N 3.49Å; V90-W93 PolarHBondContact O-N 2.96Å; V90-K94 VanDerWaalsContact O-CB 3.28Å; V90-K94 WeakPolarHBondContact O-CB 3.36Å; V90-K94 PolarHBondContact O-N 3.39Å |
| 91 | M | 91 | Very high | 85.5 | Confident | 98 Ų | 98 | 124.1 Ų | 124.1 | 48% | 0.483 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.8 | -50.2 | 175.2 | -76.2 | 177.4 | 167.1 | 0 | 0 | 111.5 | K87 L88 W93 K94 V95 | K87-M91 HydrophobicContact CD-CE 4.38Å; K87-M91 HydrophobicContact CG-CE 4.08Å; K87-M91 HydrophobicContact CG-SD 4.29Å; K87-M91 WeakPolarHBondContact O-CB 3.35Å; K87-M91 VanDerWaalsContact O-CG 3.28Å; K87-M91 WeakPolarHBondContact O-CG 3.34Å; K87-M91 PolarHBondContact O-N 3.23Å; L88-M91 PolarHBondContact O-N 2.91Å; M91-W93 VanDerWaalsContact C-N 3.32Å; M91-W93 PolarHBondContact O-N 3.35Å; M91-K94 PolarHBondContact O-N 3.38Å; M91-V95 WeakPolarHBondContact O-CG2 3.46Å; M91-V95 PolarHBondContact O-N 3.37Å |
| 92 | R | 87.8 | Confident | 84.2 | Confident | 190 Ų | 190 | 122.2 Ų | 122.2 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.2 | -44.3 | 177 | -179 | 175 | -178 | -87.7 | -1.4 | 111.7 | L88 I89 V95 N96 | L88-R92 WeakPolarHBondContact O-CB 3.32Å; L88-R92 PolarHBondContact O-N 3.39Å; I89-R92 PolarHBondContact O-N 3.46Å; R92-V95 PolarHBondContact O-N 2.86Å; R92-N96 WeakPolarHBondContact O-CB 3.37Å; R92-N96 PolarHBondContact O-N 2.93Å |
| 93 | W | 86.6 | Confident | 82.7 | Confident | 137 Ų | 137 | 125.9 Ų | 125.9 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -39.9 | 178 | -179.5 | 70.2 | 0 | 0 | 0 | 112.4 | I89 V90 M91 N96 R97 | I89-W93 VanDerWaalsContact O-CB 3.32Å; I89-W93 WeakPolarHBondContact O-CB 3.28Å; I89-W93 PolarHBondContact O-N 3.19Å; V90-W93 PolarHBondContact O-N 2.96Å; M91-W93 VanDerWaalsContact C-N 3.32Å; M91-W93 PolarHBondContact O-N 3.35Å; W93-N96 PolarHBondContact O-N 2.87Å; W93-R97 VanDerWaalsContact CZ2-NE 3.25Å; W93-R97 WeakPolarHBondContact O-CB 3.34Å; W93-R97 PolarHBondContact O-N 2.95Å |
| 94 | K | 86.5 | Confident | 80.9 | Confident | 142 Ų | 142 | 124.6 Ų | 124.6 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.4 | -40.1 | 178 | -158.8 | 171.1 | -172.8 | 175.4 | 0 | 112 | V90 M91 R97 N98 | V90-K94 VanDerWaalsContact O-CB 3.28Å; V90-K94 WeakPolarHBondContact O-CB 3.36Å; V90-K94 PolarHBondContact O-N 3.39Å; M91-K94 PolarHBondContact O-N 3.38Å; K94-R97 PolarHBondContact O-N 3.49Å; K94-N98 PolarHBondContact O-N 2.87Å |
| 95 | V | 84.1 | Confident | 78.6 | Confident | 100 Ų | 100 | 133 Ų | 133 | 61% | 0.606 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.5 | -44.8 | 172.7 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | M91 R92 R97 N98 | M91-V95 WeakPolarHBondContact O-CG2 3.46Å; M91-V95 PolarHBondContact O-N 3.37Å; R92-V95 PolarHBondContact O-N 2.86Å; V95-R97 VanDerWaalsContact C-N 3.33Å; V95-R97 PolarHBondContact O-N 3.42Å; V95-N98 PolarHBondContact O-N 3.25Å |
| 96 | N | 78.2 | Confident | 77.8 | Confident | 87 Ų | 87 | 132.9 Ų | 132.9 | 47% | 0.465 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.7 | -28.8 | -178.8 | -153.3 | 27.3 | 0 | 0 | 0 | 112.9 | R92 W93 N98 H99 | R92-N96 WeakPolarHBondContact O-CB 3.37Å; R92-N96 PolarHBondContact O-N 2.93Å; W93-N96 PolarHBondContact O-N 2.87Å; N96-N98 VanDerWaalsContact C-N 3.34Å; N96-H99 PolarHBondContact O-N 3.43Å |
| 97 | R | 71.5 | Confident | 76.8 | Confident | 167 Ų | 167 | 135.6 Ų | 135.6 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69 | -28.7 | 173.5 | -90.1 | -174.7 | 148.4 | -174.4 | -3.1 | 113.8 | W93 K94 V95 H99 | W93-R97 VanDerWaalsContact CZ2-NE 3.25Å; W93-R97 WeakPolarHBondContact O-CB 3.34Å; W93-R97 PolarHBondContact O-N 2.95Å; K94-R97 PolarHBondContact O-N 3.49Å; V95-R97 VanDerWaalsContact C-N 3.33Å; V95-R97 PolarHBondContact O-N 3.42Å; R97-H99 VanDerWaalsContact C-N 3.27Å |
| 98 | N | 64.9 | Low | 75.8 | Confident | 131 Ų | 131 | 135.7 Ų | 135.7 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -2.9 | 178.9 | -70.5 | -4.7 | 0 | 0 | 0 | 112.9 | K94 V95 N96 P100 | K94-N98 PolarHBondContact O-N 2.87Å; V95-N98 PolarHBondContact O-N 3.25Å; N96-N98 VanDerWaalsContact C-N 3.34Å; N98-P100 VanDerWaalsContact O-CD 3.24Å; N98-P100 WeakPolarHBondContact O-CD 3.24Å |
| 99 | H | 63.6 | Low | 74.6 | Confident | 122 Ų | 122 | 137.4 Ų | 137.4 | 57% | 0.565 | 65% | 0.652 | S | S | * | * | trans | -105.6 | 93.2 | 171.5 | -110 | -56.3 | 0 | 0 | 0 | 109.8 | N96 R97 Y101 | N96-H99 PolarHBondContact O-N 3.43Å; R97-H99 VanDerWaalsContact C-N 3.27Å; H99-Y101 PolarHBondContact O-N 3.16Å; H99-Y101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | P | 67.8 | Low | 73.5 | Confident | 108 Ų | 108 | 139.8 Ų | 139.8 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -64.5 | -18.5 | -178.2 | 21.6 | -29.8 | 0 | 0 | 0 | 113.7 | N98 | N98-P100 VanDerWaalsContact O-CD 3.24Å; N98-P100 WeakPolarHBondContact O-CD 3.24Å |
| 101 | Y | 64.3 | Low | 72.2 | Confident | 177 Ų | 177 | 143.6 Ų | 143.6 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | trans | -149 | 107.7 | 174.5 | -76.6 | -86.5 | 0 | 0 | 0 | 111.4 | H99 Y103 L104 | H99-Y101 PolarHBondContact O-N 3.16Å; H99-Y101 VanDerWaalsContact O-N 3.16Å; Y101-Y103 VanDerWaalsContact C-N 3.35Å; Y101-L104 HydrophobicContact CG-CD1 4.49Å | ||
| 102 | P | 66.5 | Low | 70.9 | Confident | 78 Ų | 78 | 146.9 Ų | 146.9 | 51% | 0.506 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -85.2 | -1.2 | 172.9 | 8.2 | 6.4 | 0 | 0 | 0 | 114.1 | ||
| 103 | Y | 62.8 | Low | 69.6 | Low | 204 Ų | 204 | 143.5 Ų | 143.5 | 80% | 0.8 | 68% | 0.684 | S | S | * | * | trans | -123 | 41.6 | -169.9 | -51.6 | -77.3 | 0 | 0 | 0 | 114 | Y101 | Y101-Y103 VanDerWaalsContact C-N 3.35Š| ||
| 104 | L | 58.2 | Low | 68.1 | Low | 149 Ų | 149 | 144.1 Ų | 144.1 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | trans | -114.5 | 70.1 | 165.7 | -78.1 | 163 | 0 | 0 | 0 | 108.9 | Y101 | Y101-L104 HydrophobicContact CG-CD1 4.49Š| ||
| 105 | M | 49.3 | Very low | 66.5 | Low | 264 Ų | 264 | 144.3 Ų | 144.3 | 100% | 1.3 | 70% | 0.704 | S | S | * | * | trans | -144.3 | 0 | 149.9 | -99.3 | -151.3 | -77.8 | 0 | 0 | 108.1 |
Retrieved 105 of 105 residues in 505.9 ms
(Link to these results)