| 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 | 43.3 | Very low | 46.7 | Very low | 236 Ų | 236 | 159.4 Ų | 159.4 | 100% | 1.163 | 83% | 0.834 | S | S | * | * | 0 | 112.8 | 0 | -65.2 | 168.4 | 174.4 | 0 | 0 | 103.7 | |||||
| 2 | E | 46.6 | Very low | 46.4 | Very low | 186 Ų | 186 | 156.3 Ų | 156.3 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | cis | -157 | 167.5 | 31.1 | -102.1 | 154.9 | 135 | 0 | 0 | 110.2 | ||||
| 3 | N | 49.8 | Very low | 46.5 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -73.2 | 140.1 | -161.1 | -63.2 | -35 | 0 | 0 | 0 | 114.4 | S5 | N3-S5 PolarHBondContact O-N 2.79Š| ||
| 4 | N | 47.3 | Very low | 46.5 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -80.8 | 95 | 158.9 | -172.8 | 28.6 | 0 | 0 | 0 | 108 | ||||
| 5 | S | 54.9 | Low | 46.6 | Very low | 85 Ų | 85 | 151.4 Ų | 151.4 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | trans | -91.5 | 114.2 | 174.6 | -46.7 | 0 | 0 | 0 | 0 | 109 | N3 E7 | N3-S5 PolarHBondContact O-N 2.79Å; S5-E7 PolarHBondContact O-N 2.98Å; S5-E7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | N | 46.3 | Very low | 47 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -49.4 | 112.2 | 156.3 | -94.4 | -4.6 | 0 | 0 | 0 | 108.6 | ||||
| 7 | E | 50.3 | Low | 47.6 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -99.2 | 119.4 | 162.2 | -80.1 | -179.1 | 178.1 | 0 | 0 | 108.5 | S5 | S5-E7 PolarHBondContact O-N 2.98Å; S5-E7 VanDerWaalsContact O-N 3.15Å | ||
| 8 | E | 43.3 | Very low | 48.1 | Very low | 184 Ų | 184 | 156.3 Ų | 156.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -58.4 | 127.2 | -174.8 | -63.4 | 165.6 | 154.3 | 0 | 0 | 109.4 | E10 | E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.22Å | ||
| 9 | A | 45.4 | Very low | 48.4 | Very low | 93 Ų | 93 | 156.5 Ų | 156.5 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -65.4 | 92.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | I11 | A9-I11 PolarHBondContact O-N 3.27Š| ||
| 10 | E | 41.7 | Very low | 48.7 | Very low | 154 Ų | 154 | 153.4 Ų | 153.4 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -61.5 | 99.8 | 166 | -165.2 | 176.9 | -148.2 | 0 | 0 | 107.9 | E8 Q12 | E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.22Å; E10-Q12 HydrophobicContact CG-CG 4.18Å; E10-Q12 PolarHBondContact O-N 2.86Å; E10-Q12 PolarHBondContact OE2-NE2 3.28Å; E10-Q12 VanDerWaalsContact OE2-NE2 3.15Å | ||
| 11 | I | 44.7 | Very low | 49.1 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -73.9 | 83.3 | 174 | -56.5 | 174.7 | 0 | 0 | 0 | 106.7 | A9 A13 | A9-I11 PolarHBondContact O-N 3.27Å; I11-A13 PolarHBondContact O-N 2.88Å | ||
| 12 | Q | 42.9 | Very low | 50.1 | Low | 122 Ų | 122 | 152.6 Ų | 152.6 | 57% | 0.57 | 79% | 0.786 | S | S | * | * | trans | -65.1 | 116.7 | 168 | -70.9 | 177.3 | 21.8 | 0 | 0 | 108.3 | E10 E14 | E10-Q12 HydrophobicContact CG-CG 4.18Å; E10-Q12 PolarHBondContact O-N 2.86Å; E10-Q12 PolarHBondContact OE2-NE2 3.28Å; E10-Q12 VanDerWaalsContact OE2-NE2 3.15Å; Q12-E14 HydrophobicContact CB-CG 4.45Å; Q12-E14 PolarHBondContact O-N 3.33Å | ||
| 13 | A | 47.8 | Very low | 51.3 | Low | 104 Ų | 104 | 152.7 Ų | 152.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 73.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | I11 D15 | I11-A13 PolarHBondContact O-N 2.88Å; A13-D15 PolarHBondContact O-N 3.06Å | ||
| 14 | E | 47.1 | Very low | 52.6 | Low | 149 Ų | 149 | 150.2 Ų | 150.2 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | -72.9 | 120.8 | 173.9 | -88.5 | -98.6 | 149.9 | 0 | 0 | 109.8 | Q12 R16 | Q12-E14 HydrophobicContact CB-CG 4.45Å; Q12-E14 PolarHBondContact O-N 3.33Å; E14-R16 PolarHBondContact O-N 2.79Å | ||
| 15 | D | 47.4 | Very low | 54.1 | Low | 143 Ų | 143 | 147.8 Ų | 147.8 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -33.6 | 97.7 | 167 | -82.6 | -48 | 0 | 0 | 0 | 113 | A13 K17 | A13-D15 PolarHBondContact O-N 3.06Å; D15-K17 PolarHBondContact O-N 3.05Å | ||
| 16 | R | 53.3 | Low | 55.5 | Low | 238 Ų | 238 | 144.9 Ų | 144.9 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -73 | 80.3 | 169.6 | -67.9 | -173 | -177.8 | -178.4 | 2.3 | 109.9 | E14 | E14-R16 PolarHBondContact O-N 2.79Š| ||
| 17 | K | 57.5 | Low | 57.4 | Low | 172 Ų | 172 | 139.8 Ų | 139.8 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -54.3 | 133.5 | 164.4 | -69.9 | 174.8 | -177 | 172.7 | 0 | 109 | D15 L19 | D15-K17 PolarHBondContact O-N 3.05Å; K17-L19 PolarHBondContact O-N 3.42Å; K17-L19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | P | 55.5 | Low | 58.9 | Low | 132 Ų | 132 | 132.7 Ų | 132.7 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | trans | -68.6 | 112.3 | -169.6 | 23.8 | -30.7 | 0 | 0 | 0 | 111.5 | T20 | P18-T20 PolarHBondContact O-N 3.08Š| ||
| 19 | L | 54.5 | Low | 61 | Low | 160 Ų | 160 | 128.4 Ų | 128.4 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -70.1 | 110.4 | 168.7 | -77.3 | 158.8 | 0 | 0 | 0 | 109.3 | K17 | K17-L19 PolarHBondContact O-N 3.42Å; K17-L19 VanDerWaalsContact O-N 3.08Å | ||
| 20 | T | 55.3 | Low | 63.1 | Low | 95 Ų | 95 | 130 Ų | 130 | 58% | 0.583 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 70.9 | 126.2 | 158.8 | 72.5 | 0 | 0 | 0 | 0 | 117.2 | P18 K22 | P18-T20 PolarHBondContact O-N 3.08Å; T20-K22 VanDerWaalsContact C-N 3.28Å; T20-K22 PolarHBondContact O-N 2.83Å |
| 21 | H | 55.6 | Low | 65.1 | Low | 206 Ų | 206 | 129 Ų | 129 | 95% | 0.954 | 68% | 0.678 | S | S | * | * | trans | -62.9 | 77.5 | 174.2 | -70.9 | 21.4 | 0 | 0 | 0 | 112.3 | ||||
| 22 | K | 65 | Low | 67.1 | Low | 167 Ų | 167 | 127.3 Ų | 127.3 | 73% | 0.726 | 67% | 0.665 | S | S | * | * | trans | -121.7 | 133.4 | 168.8 | -63 | -178.5 | -178.3 | 179.1 | 0 | 106.6 | T20 D24 | T20-K22 VanDerWaalsContact C-N 3.28Å; T20-K22 PolarHBondContact O-N 2.83Å; K22-D24 PolarHBondContact O-N 2.96Å | ||
| 23 | H | 71 | Confident | 69.3 | Low | 188 Ų | 188 | 127.2 Ų | 127.2 | 87% | 0.87 | 67% | 0.672 | S | S | * | * | trans | -41.1 | 104.6 | 176.8 | -89.6 | -93.3 | 0 | 0 | 0 | 110.7 | S25 | H23-S25 PolarHBondContact O-N 3.33Š| ||
| 24 | D | 77.5 | Confident | 71.3 | Confident | 94 Ų | 94 | 128 Ų | 128 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | trans | -74.9 | -4.9 | 177.1 | 69.7 | -3.6 | 0 | 0 | 0 | 111.6 | K22 G26 A27 A28 | K22-D24 PolarHBondContact O-N 2.96Å; D24-G26 PolarHBondContact O-N 3.25Å; D24-G26 PolarHBondContact OD1-N 3.41Å; D24-A27 WeakPolarHBondContact O-CB 3.12Å; D24-A27 PolarHBondContact O-N 3.26Å; D24-A28 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 25 | S | 80.2 | Confident | 73.3 | Confident | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.6 | 29.8 | 178.2 | -54 | 0 | 0 | 0 | 0 | 113.2 | H23 | H23-S25 PolarHBondContact O-N 3.33Š|
| 26 | G | 83.1 | Confident | 75.3 | Confident | 24 Ų | 24 | 129 Ų | 129 | 25% | 0.247 | 66% | 0.663 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 80.8 | 7.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D24 A28 D29 L30 | D24-G26 PolarHBondContact O-N 3.25Å; D24-G26 PolarHBondContact OD1-N 3.41Å; G26-A28 VanDerWaalsContact C-N 3.27Å; G26-A28 PolarHBondContact O-N 3.32Å; G26-D29 PolarHBondContact O-N 2.97Å; G26-L30 PolarHBondContact O-N 3.29Å |
| 27 | A | 85.7 | Confident | 77 | Confident | 50 Ų | 50 | 125 Ų | 125 | 41% | 0.413 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -60.3 | -35.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | D24 D29 L30 Q31 | D24-A27 WeakPolarHBondContact O-CB 3.12Å; D24-A27 PolarHBondContact O-N 3.26Å; A27-D29 VanDerWaalsContact C-N 3.33Å; A27-L30 PolarHBondContact O-N 3.45Å; A27-Q31 PolarHBondContact O-N 2.83Å |
| 28 | A | 83.3 | Confident | 78.6 | Confident | 37 Ų | 37 | 123.6 Ų | 123.6 | 31% | 0.306 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.8 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D24 G26 Q31 | D24-A28 WeakPolarHBondContact OD2-CB 3.38Å; G26-A28 VanDerWaalsContact C-N 3.27Å; G26-A28 PolarHBondContact O-N 3.32Å; A28-Q31 PolarHBondContact O-N 3.48Å |
| 29 | D | 87 | Confident | 80.2 | Confident | 95 Ų | 95 | 126 Ų | 126 | 51% | 0.508 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.7 | -33.4 | 176.4 | -70.9 | -24.1 | 0 | 0 | 0 | 111.9 | G26 A27 Q31 K32 | G26-D29 PolarHBondContact O-N 2.97Å; A27-D29 VanDerWaalsContact C-N 3.33Å; D29-Q31 VanDerWaalsContact C-N 3.28Å; D29-Q31 PolarHBondContact O-N 3.34Å; D29-K32 PolarHBondContact O-N 3.32Å; D29-K32 IonicContact OD1-NZ 2.74Å; D29-K32 PolarHBondContact OD1-NZ 3.41Å |
| 30 | L | 89.5 | Confident | 81.8 | Confident | 127 Ų | 127 | 127.1 Ų | 127.1 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.4 | -31.3 | 173.4 | -66.9 | 177.5 | 0 | 0 | 0 | 112.9 | G26 A27 K32 V33 | G26-L30 PolarHBondContact O-N 3.29Å; A27-L30 PolarHBondContact O-N 3.45Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.38Å; L30-V33 WeakPolarHBondContact O-CB 3.49Å; L30-V33 PolarHBondContact O-N 3.27Å |
| 31 | Q | 82.8 | Confident | 83.3 | Confident | 132 Ų | 132 | 131.8 Ų | 131.8 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.5 | -35.7 | 176.9 | -72.2 | 178.3 | -1.7 | 0 | 0 | 112 | A27 A28 D29 V33 T34 | A27-Q31 PolarHBondContact O-N 2.83Å; A28-Q31 PolarHBondContact O-N 3.48Å; D29-Q31 VanDerWaalsContact C-N 3.28Å; D29-Q31 PolarHBondContact O-N 3.34Å; Q31-V33 PolarHBondContact O-N 2.88Å; Q31-T34 PolarHBondContact O-N 2.8Å; Q31-T34 PolarHBondContact O-OG1 3.41Å |
| 32 | K | 88 | Confident | 84.5 | Confident | 127 Ų | 127 | 128.2 Ų | 128.2 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.6 | -20.1 | 179.2 | -60.2 | 170.6 | -168.4 | 156 | 0 | 113.4 | D29 L30 T34 D35 | D29-K32 PolarHBondContact O-N 3.32Å; D29-K32 IonicContact OD1-NZ 2.74Å; D29-K32 PolarHBondContact OD1-NZ 3.41Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.38Å; K32-T34 PolarHBondContact O-N 3.47Å; K32-D35 PolarHBondContact O-N 3.31Å |
| 33 | V | 88.3 | Confident | 85.2 | Confident | 120 Ų | 120 | 124.6 Ų | 124.6 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -22.6 | -179.8 | 177.6 | 0 | 0 | 0 | 0 | 112 | L30 Q31 | L30-V33 WeakPolarHBondContact O-CB 3.49Å; L30-V33 PolarHBondContact O-N 3.27Å; Q31-V33 PolarHBondContact O-N 2.88Å |
| 34 | T | 89.5 | Confident | 85.2 | Confident | 121 Ų | 121 | 121.3 Ų | 121.3 | 74% | 0.742 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -4 | 177.7 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | Q31 K32 | Q31-T34 PolarHBondContact O-N 2.8Å; Q31-T34 PolarHBondContact O-OG1 3.41Å; K32-T34 PolarHBondContact O-N 3.47Å |
| 35 | D | 89.6 | Confident | 85 | Confident | 106 Ų | 106 | 124.6 Ų | 124.6 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -66.9 | 150.1 | 179.2 | -69.8 | -16.7 | 0 | 0 | 0 | 110.4 | K32 Q37 | K32-D35 PolarHBondContact O-N 3.31Å; D35-Q37 PolarHBondContact O-N 3.15Å |
| 36 | Y | 89.7 | Confident | 84.6 | Confident | 207 Ų | 207 | 123.5 Ų | 123.5 | 81% | 0.812 | 64% | 0.639 | S | S | * | * | trans | -66.9 | 125.3 | 174.7 | 177.1 | -97 | 0 | 0 | 0 | 110.1 | ||||
| 37 | Q | 89.1 | Confident | 84.2 | Confident | 152 Ų | 152 | 126.2 Ų | 126.2 | 71% | 0.71 | 65% | 0.651 | S | S | * | * | trans | -130.2 | 124.1 | 173.4 | 178 | 63.2 | 43.2 | 0 | 0 | 108.4 | D35 E39 | D35-Q37 PolarHBondContact O-N 3.15Å; Q37-E39 PolarHBondContact O-N 3.26Å | ||
| 38 | E | 89.9 | Confident | 83.8 | Confident | 143 Ų | 143 | 131.7 Ų | 131.7 | 67% | 0.668 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.1 | 175.6 | -172.6 | 173.8 | -167 | 0 | 0 | 110.5 | ||
| 39 | E | 89.2 | Confident | 83.7 | Confident | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 134.7 | 176.6 | -67.9 | -167 | 163.6 | 0 | 0 | 110.3 | Q37 | Q37-E39 PolarHBondContact O-N 3.26Š|
| 40 | K | 88.8 | Confident | 83.6 | Confident | 185 Ų | 185 | 130.8 Ų | 130.8 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -78 | 128.8 | 177.3 | -68.1 | -178.2 | -179.7 | 177.4 | 0 | 110.2 | L42 | K40-L42 PolarHBondContact O-N 3.32Š|
| 41 | E | 86 | Confident | 83.3 | Confident | 193 Ų | 193 | 129.9 Ų | 129.9 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.5 | 170.5 | -65 | -169.2 | 172 | 0 | 0 | 110.7 | ||
| 42 | L | 80.9 | Confident | 83.4 | Confident | 131 Ų | 131 | 126.2 Ų | 126.2 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 146.1 | 170.6 | -65.8 | 174.9 | 0 | 0 | 0 | 109.3 | K40 S44 I46 | K40-L42 PolarHBondContact O-N 3.32Å; L42-S44 PolarHBondContact O-N 2.8Å; L42-I46 HydrophobicContact CB-CD1 4.22Å; L42-I46 HydrophobicContact CD1-CD1 3.93Å |
| 43 | P | 80 | Confident | 83.3 | Confident | 90 Ų | 90 | 124.6 Ų | 124.6 | 58% | 0.584 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 139.1 | 174.5 | 25 | -33.7 | 0 | 0 | 0 | 109.9 | Q45 | P43-Q45 PolarHBondContact O-N 3.04Š|
| 44 | S | 72.3 | Confident | 83.3 | Confident | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 0.8 | -176.7 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | L42 I46 | L42-S44 PolarHBondContact O-N 2.8Å; S44-I46 PolarHBondContact O-N 3.12Å; S44-I46 VanDerWaalsContact O-N 3.12Å |
| 45 | Q | 72.6 | Confident | 83.1 | Confident | 163 Ų | 163 | 122 Ų | 122 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 1.6 | 177.3 | -63.5 | -178 | 7.3 | 0 | 0 | 113.7 | P43 T47 | P43-Q45 PolarHBondContact O-N 3.04Å; Q45-T47 WeakPolarHBondContact O-CG2 3.49Å; Q45-T47 PolarHBondContact O-N 2.83Å |
| 46 | I | 72.3 | Confident | 82.8 | Confident | 89 Ų | 89 | 120.7 Ų | 120.7 | 46% | 0.456 | 62% | 0.618 | S | S | . | * | trans | -63.3 | 92.6 | 162.8 | -58.3 | 177 | 0 | 0 | 0 | 107.5 | L42 S44 M51 | L42-I46 HydrophobicContact CB-CD1 4.22Å; L42-I46 HydrophobicContact CD1-CD1 3.93Å; S44-I46 PolarHBondContact O-N 3.12Å; S44-I46 VanDerWaalsContact O-N 3.12Å; I46-M51 HydrophobicContact CG2-CG 4.03Å | ||
| 47 | T | 73.4 | Confident | 82.4 | Confident | 80 Ų | 80 | 114.6 Ų | 114.6 | 49% | 0.491 | 60% | 0.603 | S | S | . | * | trans | -66.3 | 148.4 | -179.8 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | Q45 S49 A50 M51 | Q45-T47 WeakPolarHBondContact O-CG2 3.49Å; Q45-T47 PolarHBondContact O-N 2.83Å; T47-S49 PolarHBondContact O-N 3.05Å; T47-A50 PolarHBondContact O-N 2.94Å; T47-A50 PolarHBondContact OG1-N 2.96Å; T47-M51 PolarHBondContact O-N 2.97Å | ||
| 48 | Q | 78.5 | Confident | 81.8 | Confident | 166 Ų | 166 | 111.6 Ų | 111.6 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -52.3 | -28.4 | 169.9 | -67.5 | 173.2 | -11.3 | 0 | 0 | 112 | M51 S52 | Q48-M51 HydrophobicContact CG-CE 4.37Å; Q48-M51 PolarHBondContact O-N 3.27Å; Q48-S52 WeakPolarHBondContact O-CB 3.49Å; Q48-S52 PolarHBondContact O-N 3.46Å |
| 49 | S | 80.9 | Confident | 81.1 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -42.9 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 113 | T47 M51 S52 N53 | T47-S49 PolarHBondContact O-N 3.05Å; S49-M51 VanDerWaalsContact C-N 3.33Å; S49-M51 PolarHBondContact O-N 2.89Å; S49-S52 PolarHBondContact O-N 3.42Å; S49-N53 VanDerWaalsContact O-CG 3.3Å; S49-N53 PolarHBondContact O-N 3.37Å; S49-N53 PolarHBondContact O-ND2 3.08Å |
| 50 | A | 84.5 | Confident | 80.3 | Confident | 41 Ų | 41 | 103.5 Ų | 103.5 | 34% | 0.339 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | T47 N53 I54 | T47-A50 PolarHBondContact O-N 2.94Å; T47-A50 PolarHBondContact OG1-N 2.96Å; A50-N53 PolarHBondContact O-N 3.47Å; A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 3.24Å; A50-I54 VanDerWaalsContact O-N 3.16Å |
| 51 | M | 84.3 | Confident | 79.5 | Confident | 107 Ų | 107 | 102.3 Ų | 102.3 | 53% | 0.527 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | 175 | -68.7 | -169.8 | -76.6 | 0 | 0 | 112.3 | I46 T47 Q48 S49 N53 I54 L55 | I46-M51 HydrophobicContact CG2-CG 4.03Å; T47-M51 PolarHBondContact O-N 2.97Å; Q48-M51 HydrophobicContact CG-CE 4.37Å; Q48-M51 PolarHBondContact O-N 3.27Å; S49-M51 VanDerWaalsContact C-N 3.33Å; S49-M51 PolarHBondContact O-N 2.89Å; M51-N53 PolarHBondContact O-N 2.9Å; M51-I54 PolarHBondContact O-N 3.16Å; M51-L55 PolarHBondContact O-N 3.4Å |
| 52 | S | 84.5 | Confident | 78.4 | Confident | 56 Ų | 56 | 101 Ų | 101 | 39% | 0.392 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.1 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | Q48 S49 I54 L55 D56 | Q48-S52 WeakPolarHBondContact O-CB 3.49Å; Q48-S52 PolarHBondContact O-N 3.46Å; S49-S52 PolarHBondContact O-N 3.42Å; S52-I54 VanDerWaalsContact C-N 3.3Å; S52-I54 PolarHBondContact O-N 3.34Å; S52-L55 CarbonylContact O-C 3.57Å; S52-L55 WeakPolarHBondContact O-CB 3.35Å; S52-L55 PolarHBondContact O-N 2.9Å; S52-L55 VanDerWaalsContact O-N 3.08Å; S52-D56 WeakPolarHBondContact O-CB 3.38Å; S52-D56 VanDerWaalsContact O-CG 3.23Å; S52-D56 PolarHBondContact O-N 3.41Å; S52-D56 PolarHBondContact OG-OD2 2.87Å |
| 53 | N | 86 | Confident | 77.4 | Confident | 93 Ų | 93 | 101.4 Ų | 101.4 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 177.6 | -68.7 | -30.3 | 0 | 0 | 0 | 112.2 | S49 A50 M51 T57 | S49-N53 VanDerWaalsContact O-CG 3.3Å; S49-N53 PolarHBondContact O-N 3.37Å; S49-N53 PolarHBondContact O-ND2 3.08Å; A50-N53 PolarHBondContact O-N 3.47Å; M51-N53 PolarHBondContact O-N 2.9Å; N53-T57 WeakPolarHBondContact O-CB 3.29Å; N53-T57 VanDerWaalsContact O-CG2 3.28Å; N53-T57 WeakPolarHBondContact O-CG2 3.41Å; N53-T57 PolarHBondContact O-N 2.77Å; N53-T57 PolarHBondContact O-OG1 2.94Å |
| 54 | I | 87.4 | Confident | 76.4 | Confident | 94 Ų | 94 | 101.2 Ų | 101.2 | 48% | 0.482 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 173.9 | -65.7 | 166.2 | 0 | 0 | 0 | 110.1 | A50 M51 S52 T57 Q58 | A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 3.24Å; A50-I54 VanDerWaalsContact O-N 3.16Å; M51-I54 PolarHBondContact O-N 3.16Å; S52-I54 VanDerWaalsContact C-N 3.3Å; S52-I54 PolarHBondContact O-N 3.34Å; I54-T57 WeakPolarHBondContact CA-OG1 3.28Å; I54-T57 PolarHBondContact O-N 3.33Å; I54-T57 PolarHBondContact O-OG1 2.77Å; I54-Q58 HydrophobicContact CG2-CG 4.44Å; I54-Q58 WeakPolarHBondContact O-CB 3.43Å; I54-Q58 VanDerWaalsContact O-CG 3.28Å; I54-Q58 WeakPolarHBondContact O-CG 3.4Å; I54-Q58 PolarHBondContact O-N 3.48Å |
| 55 | L | 86.1 | Confident | 75.8 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 178.1 | -177.6 | 59.3 | 0 | 0 | 0 | 111.7 | M51 S52 Q58 N59 | M51-L55 PolarHBondContact O-N 3.4Å; S52-L55 CarbonylContact O-C 3.57Å; S52-L55 WeakPolarHBondContact O-CB 3.35Å; S52-L55 PolarHBondContact O-N 2.9Å; S52-L55 VanDerWaalsContact O-N 3.08Å; L55-Q58 PolarHBondContact O-N 2.89Å; L55-N59 VanDerWaalsContact O-CB 3.28Å; L55-N59 WeakPolarHBondContact O-CB 3.28Å; L55-N59 PolarHBondContact O-N 3.17Å; L55-N59 PolarHBondContact O-ND2 3.15Å |
| 56 | D | 82.5 | Confident | 75 | Confident | 78 Ų | 78 | 97.1 Ų | 97.1 | 42% | 0.417 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 179.1 | -68.7 | -30.2 | 0 | 0 | 0 | 111.4 | S52 N59 T60 | S52-D56 WeakPolarHBondContact O-CB 3.38Å; S52-D56 VanDerWaalsContact O-CG 3.23Å; S52-D56 PolarHBondContact O-N 3.41Å; S52-D56 PolarHBondContact OG-OD2 2.87Å; D56-N59 PolarHBondContact O-N 2.73Å; D56-T60 WeakPolarHBondContact O-CB 3.28Å; D56-T60 PolarHBondContact O-N 3.37Å; D56-T60 PolarHBondContact O-OG1 2.91Å |
| 57 | T | 80.7 | Confident | 74.6 | Confident | 79 Ų | 79 | 96 Ų | 96 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 173.6 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | N53 I54 K61 | N53-T57 WeakPolarHBondContact O-CB 3.29Å; N53-T57 VanDerWaalsContact O-CG2 3.28Å; N53-T57 WeakPolarHBondContact O-CG2 3.41Å; N53-T57 PolarHBondContact O-N 2.77Å; N53-T57 PolarHBondContact O-OG1 2.94Å; I54-T57 WeakPolarHBondContact CA-OG1 3.28Å; I54-T57 PolarHBondContact O-N 3.33Å; I54-T57 PolarHBondContact O-OG1 2.77Å; T57-K61 WeakPolarHBondContact O-CG 3.48Å; T57-K61 PolarHBondContact O-N 3.14Å; T57-K61 VanDerWaalsContact O-N 3.14Å |
| 58 | Q | 78.1 | Confident | 74.2 | Confident | 89 Ų | 89 | 95.3 Ų | 95.3 | 42% | 0.416 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 173.2 | -75.3 | -169.7 | 21 | 0 | 0 | 112 | I54 L55 K61 R62 | I54-Q58 HydrophobicContact CG2-CG 4.44Å; I54-Q58 WeakPolarHBondContact O-CB 3.43Å; I54-Q58 VanDerWaalsContact O-CG 3.28Å; I54-Q58 WeakPolarHBondContact O-CG 3.4Å; I54-Q58 PolarHBondContact O-N 3.48Å; L55-Q58 PolarHBondContact O-N 2.89Å; Q58-K61 PolarHBondContact O-N 3.44Å; Q58-R62 WeakPolarHBondContact O-CG 3.43Å; Q58-R62 PolarHBondContact O-N 3.43Å |
| 59 | N | 74.9 | Confident | 73.9 | Confident | 58 Ų | 58 | 97.7 Ų | 97.7 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 178 | -76.9 | -22.8 | 0 | 0 | 0 | 111.4 | L55 D56 K61 R62 Q63 | L55-N59 VanDerWaalsContact O-CB 3.28Å; L55-N59 WeakPolarHBondContact O-CB 3.28Å; L55-N59 PolarHBondContact O-N 3.17Å; L55-N59 PolarHBondContact O-ND2 3.15Å; D56-N59 PolarHBondContact O-N 2.73Å; N59-K61 VanDerWaalsContact C-N 3.32Å; N59-K61 PolarHBondContact O-N 3.29Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 VanDerWaalsContact O-N 3.17Å; N59-Q63 WeakPolarHBondContact O-CG 3.33Å; N59-Q63 PolarHBondContact O-N 3.18Å |
| 60 | T | 71.8 | Confident | 73.8 | Confident | 97 Ų | 97 | 96 Ų | 96 | 60% | 0.595 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 175.3 | -52.9 | 0 | 0 | 0 | 0 | 111 | D56 Q63 A64 | D56-T60 WeakPolarHBondContact O-CB 3.28Å; D56-T60 PolarHBondContact O-N 3.37Å; D56-T60 PolarHBondContact O-OG1 2.91Å; T60-Q63 PolarHBondContact O-N 3.29Å; T60-A64 PolarHBondContact O-N 3.17Å; T60-A64 VanDerWaalsContact O-N 3.15Å |
| 61 | K | 72.2 | Confident | 73.9 | Confident | 160 Ų | 160 | 100.9 Ų | 100.9 | 70% | 0.696 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.9 | -36.3 | 174 | -71.9 | 176.5 | -178.4 | -177.9 | 0 | 112.8 | T57 Q58 N59 | T57-K61 WeakPolarHBondContact O-CG 3.48Å; T57-K61 PolarHBondContact O-N 3.14Å; T57-K61 VanDerWaalsContact O-N 3.14Å; Q58-K61 PolarHBondContact O-N 3.44Å; N59-K61 VanDerWaalsContact C-N 3.32Å; N59-K61 PolarHBondContact O-N 3.29Å |
| 62 | R | 63.8 | Low | 74.1 | Confident | 164 Ų | 164 | 97.6 Ų | 97.6 | 62% | 0.619 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.5 | -40.4 | 175.4 | -72 | 176.7 | -178 | -160.3 | 2.8 | 111.9 | Q58 N59 A64 T65 | Q58-R62 WeakPolarHBondContact O-CG 3.43Å; Q58-R62 PolarHBondContact O-N 3.43Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 VanDerWaalsContact O-N 3.17Å; R62-A64 VanDerWaalsContact C-N 3.28Å; R62-A64 PolarHBondContact O-N 3.19Å; R62-T65 WeakPolarHBondContact O-CB 3.44Å; R62-T65 PolarHBondContact O-N 3.14Å; R62-T65 PolarHBondContact O-OG1 3.38Å |
| 63 | Q | 58.6 | Low | 74.5 | Confident | 140 Ų | 140 | 101.8 Ų | 101.8 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -31.1 | 177.1 | -73.8 | -175.1 | 24 | 0 | 0 | 112.3 | N59 T60 T65 S66 | N59-Q63 WeakPolarHBondContact O-CG 3.33Å; N59-Q63 PolarHBondContact O-N 3.18Å; T60-Q63 PolarHBondContact O-N 3.29Å; Q63-T65 PolarHBondContact O-N 3.03Å; Q63-S66 PolarHBondContact O-N 3.37Å; Q63-S66 PolarHBondContact O-OG 3.08Å |
| 64 | A | 58.1 | Low | 74.9 | Confident | 87 Ų | 87 | 104 Ų | 104 | 72% | 0.719 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -17.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | T60 R62 | T60-A64 PolarHBondContact O-N 3.17Å; T60-A64 VanDerWaalsContact O-N 3.15Å; R62-A64 VanDerWaalsContact C-N 3.28Å; R62-A64 PolarHBondContact O-N 3.19Å |
| 65 | T | 59.7 | Low | 75.3 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 66% | 0.656 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -8.6 | 175.6 | 72.1 | 0 | 0 | 0 | 0 | 114 | R62 Q63 T67 | R62-T65 WeakPolarHBondContact O-CB 3.44Å; R62-T65 PolarHBondContact O-N 3.14Å; R62-T65 PolarHBondContact O-OG1 3.38Å; Q63-T65 PolarHBondContact O-N 3.03Å; T65-T67 VanDerWaalsContact C-N 3.25Å; T65-T67 PolarHBondContact O-N 3.38Å |
| 66 | S | 57.7 | Low | 75.7 | Confident | 90 Ų | 90 | 99.9 Ų | 99.9 | 63% | 0.629 | 54% | 0.539 | S | S | * | . | trans | -80.3 | 77.4 | 175.4 | 68 | 0 | 0 | 0 | 0 | 110.1 | Q63 | Q63-S66 PolarHBondContact O-N 3.37Å; Q63-S66 PolarHBondContact O-OG 3.08Å | ||
| 67 | T | 62.4 | Low | 76.3 | Confident | 65 Ų | 65 | 97.2 Ų | 97.2 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | trans | -59.4 | 137.2 | 165.2 | 51 | 0 | 0 | 0 | 0 | 108.7 | T65 N96 Q97 | T65-T67 VanDerWaalsContact C-N 3.25Å; T65-T67 PolarHBondContact O-N 3.38Å; T67-N96 HydrophobicContact CG2-CB 4.43Å; T67-Q97 HydrophobicContact CG2-CG 4.39Å | ||
| 68 | A | 65.9 | Low | 77.1 | Confident | 65 Ų | 65 | 97.5 Ų | 97.5 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | trans | -49 | 150.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | V70 | A68-V70 WeakPolarHBondContact O-CG2 3.4Å; A68-V70 PolarHBondContact O-N 2.91Å | ||
| 69 | K | 71.3 | Confident | 78 | Confident | 216 Ų | 216 | 98.1 Ų | 98.1 | 94% | 0.939 | 52% | 0.521 | S | S | * | . | trans | -63.5 | 96.5 | 174 | -67 | -179.2 | -178.9 | 178.8 | 0 | 108.8 | ||||
| 70 | V | 79.6 | Confident | 79 | Confident | 37 Ų | 37 | 95.3 Ų | 95.3 | 22% | 0.224 | 51% | 0.507 | C | S | . | . | trans | -96.1 | 135.3 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | A68 I72 | A68-V70 WeakPolarHBondContact O-CG2 3.4Å; A68-V70 PolarHBondContact O-N 2.91Å; V70-I72 HydrophobicContact CB-CG1 4.43Å; V70-I72 HydrophobicContact CG1-CG1 4.05Å; V70-I72 PolarHBondContact O-N 2.98Å | ||
| 71 | V | 86.3 | Confident | 80.2 | Confident | 143 Ų | 143 | 93 Ų | 93 | 87% | 0.867 | 49% | 0.49 | S | S | * | . | trans | -78.2 | 107.4 | 172.2 | -179.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 72 | I | 88.2 | Confident | 81.4 | Confident | 38 Ų | 38 | 91.7 Ų | 91.7 | 20% | 0.195 | 49% | 0.49 | C | S | . | . | trans | -105.1 | 133.8 | 178.8 | -62.5 | 168.3 | 0 | 0 | 0 | 109 | V70 I77 L95 N96 | V70-I72 HydrophobicContact CB-CG1 4.43Å; V70-I72 HydrophobicContact CG1-CG1 4.05Å; V70-I72 PolarHBondContact O-N 2.98Å; I72-I77 HydrophobicContact CG2-CD1 3.81Å; I72-I77 HydrophobicContact CG2-CG1 3.68Å; I72-L95 HydrophobicContact CD1-CB 3.76Å; I72-L95 HydrophobicContact CG1-CB 4.25Å; I72-L95 HydrophobicContact CG2-CB 4.14Å; I72-L95 HydrophobicContact CG2-CD1 3.66Å; I72-L95 HydrophobicContact CG2-CG 4.43Å; I72-N96 HydrophobicContact CD1-CB 4.34Å; I72-N96 VanDerWaalsContact CD1-CG 3.47Å; I72-N96 VanDerWaalsContact CD1-OD1 3.22Å; I72-N96 WeakPolarHBondContact CD1-OD1 3.4Å | ||
| 73 | K | 93 | Very high | 82.8 | Confident | 145 Ų | 145 | 90.1 Ų | 90.1 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | trans | -80.5 | 141.1 | 175.8 | -58.6 | 174.4 | -177 | 170.7 | 0 | 110 | A75 D76 I77 | K73-A75 VanDerWaalsContact C-N 3.25Å; K73-A75 PolarHBondContact O-N 3.05Å; K73-D76 WeakPolarHBondContact CB-OD2 3.48Å; K73-D76 PolarHBondContact O-N 2.81Å; K73-D76 VanDerWaalsContact O-N 3.14Å; K73-I77 PolarHBondContact O-N 2.93Å | ||
| 74 | K | 94.1 | Very high | 84.5 | Confident | 140 Ų | 140 | 85.7 Ų | 85.7 | 61% | 0.609 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.5 | -37.2 | 175.2 | -177 | 176.7 | 165.8 | -173.6 | 0 | 112.7 | D76 I77 E78 | K74-D76 VanDerWaalsContact C-N 3.3Å; K74-D76 PolarHBondContact O-N 2.74Å; K74-I77 PolarHBondContact O-N 3.43Å; K74-E78 WeakPolarHBondContact CE-OE1 3.42Å; K74-E78 IonicContact NZ-OE1 2.88Å; K74-E78 PolarHBondContact O-N 3.37Å |
| 75 | A | 95.5 | Very high | 86.3 | Confident | 62 Ų | 62 | 90.3 Ų | 90.3 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K73 I77 E78 F79 | K73-A75 VanDerWaalsContact C-N 3.25Å; K73-A75 PolarHBondContact O-N 3.05Å; A75-I77 VanDerWaalsContact C-N 3.34Å; A75-E78 PolarHBondContact O-N 2.97Å; A75-F79 VanDerWaalsContact O-CB 3.26Å; A75-F79 WeakPolarHBondContact O-CB 3.4Å; A75-F79 PolarHBondContact O-N 2.6Å |
| 76 | D | 95.8 | Very high | 88 | Confident | 38 Ų | 38 | 86.7 Ų | 86.7 | 20% | 0.203 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 179.8 | -58.8 | -22.8 | 0 | 0 | 0 | 111 | K73 K74 I80 L95 V102 | K73-D76 WeakPolarHBondContact CB-OD2 3.48Å; K73-D76 PolarHBondContact O-N 2.81Å; K73-D76 VanDerWaalsContact O-N 3.14Å; K74-D76 VanDerWaalsContact C-N 3.3Å; K74-D76 PolarHBondContact O-N 2.74Å; D76-I80 WeakPolarHBondContact O-CG1 3.37Å; D76-I80 PolarHBondContact O-N 3.48Å; D76-I80 VanDerWaalsContact O-N 3.12Å; D76-L95 HydrophobicContact CB-CD1 4.16Å; D76-L95 HydrophobicContact CB-CD2 4.46Å; D76-V102 HydrophobicContact CB-CG2 3.86Å |
| 77 | I | 95.4 | Very high | 89.8 | Confident | 21 Ų | 21 | 86.5 Ų | 86.5 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66 | -49.9 | 175 | -60.3 | 165.2 | 0 | 0 | 0 | 110 | I72 K73 K74 A75 F79 I80 M81 R88 A91 E92 L95 | I72-I77 HydrophobicContact CG2-CD1 3.81Å; I72-I77 HydrophobicContact CG2-CG1 3.68Å; K73-I77 PolarHBondContact O-N 2.93Å; K74-I77 PolarHBondContact O-N 3.43Å; A75-I77 VanDerWaalsContact C-N 3.34Å; I77-F79 VanDerWaalsContact C-N 3.3Å; I77-F79 PolarHBondContact O-N 2.79Å; I77-I80 PolarHBondContact O-N 2.94Å; I77-M81 HydrophobicContact CG2-CG 4.31Å; I77-M81 HydrophobicContact CG2-SD 3.87Å; I77-M81 WeakPolarHBondContact O-CB 3.28Å; I77-M81 VanDerWaalsContact O-CG 3.25Å; I77-M81 WeakPolarHBondContact O-CG 3.46Å; I77-M81 PolarHBondContact O-N 3.18Å; I77-R88 HydrophobicContact CG2-CG 4.17Å; I77-A91 HydrophobicContact CG2-CB 4.18Å; I77-E92 HydrophobicContact CD1-CG 3.75Å; I77-E92 HydrophobicContact CG1-CG 4.11Å; I77-E92 HydrophobicContact CG2-CG 4.11Å; I77-L95 HydrophobicContact CB-CD1 4.39Å; I77-L95 HydrophobicContact CG1-CD1 3.65Å |
| 78 | E | 96.6 | Very high | 91.4 | Very high | 85 Ų | 85 | 89.9 Ų | 89.9 | 40% | 0.397 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 179.6 | -72.4 | 178.5 | 173.4 | 0 | 0 | 112 | K74 A75 M81 N82 | K74-E78 WeakPolarHBondContact CE-OE1 3.42Å; K74-E78 IonicContact NZ-OE1 2.88Å; K74-E78 PolarHBondContact O-N 3.37Å; A75-E78 PolarHBondContact O-N 2.97Å; E78-M81 PolarHBondContact O-N 3.41Å; E78-N82 WeakPolarHBondContact O-CB 3.4Å; E78-N82 VanDerWaalsContact O-CG 3.23Å; E78-N82 PolarHBondContact O-N 2.94Å; E78-N82 PolarHBondContact O-ND2 2.68Å |
| 79 | F | 96.8 | Very high | 92.7 | Very high | 102 Ų | 102 | 93.2 Ų | 93.2 | 45% | 0.447 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 174.7 | 177.8 | -108.7 | 0 | 0 | 0 | 111.9 | A75 I77 M81 N82 E83 V102 L106 | A75-F79 VanDerWaalsContact O-CB 3.26Å; A75-F79 WeakPolarHBondContact O-CB 3.4Å; A75-F79 PolarHBondContact O-N 2.6Å; I77-F79 VanDerWaalsContact C-N 3.3Å; I77-F79 PolarHBondContact O-N 2.79Å; F79-M81 PolarHBondContact O-N 3.09Å; F79-N82 PolarHBondContact O-N 3.47Å; F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.2Å; F79-V102 HydrophobicContact CD1-CG1 3.79Å; F79-V102 HydrophobicContact CE1-CG1 3.93Å; F79-L106 HydrophobicContact CE1-CD1 4.03Å |
| 80 | I | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.7 | -68.3 | 176.7 | 0 | 0 | 0 | 111.6 | D76 I77 N82 M84 V86 A91 L95 V102 A105 L106 L109 | D76-I80 WeakPolarHBondContact O-CG1 3.37Å; D76-I80 PolarHBondContact O-N 3.48Å; D76-I80 VanDerWaalsContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 2.94Å; I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 2.85Å; I80-M84 HydrophobicContact CG2-CG 4.28Å; I80-M84 WeakPolarHBondContact O-CB 3.26Å; I80-M84 PolarHBondContact O-N 3.38Å; I80-V86 HydrophobicContact CG2-CG2 4.08Å; I80-A91 HydrophobicContact CB-CB 4.12Å; I80-A91 HydrophobicContact CG2-CB 3.73Å; I80-L95 HydrophobicContact CD1-CD1 3.86Å; I80-L95 HydrophobicContact CD1-CD2 3.66Å; I80-L95 HydrophobicContact CD1-CG 3.61Å; I80-V102 HydrophobicContact CD1-CG1 4.29Å; I80-V102 HydrophobicContact CG1-CG1 4.25Å; I80-A105 HydrophobicContact CD1-CB 3.91Å; I80-L106 HydrophobicContact CG1-CD2 4.18Å; I80-L109 HydrophobicContact CG2-CD1 3.66Å |
| 81 | M | 97.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 84.6 Ų | 84.6 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.9 | -75.4 | 175.8 | 58.9 | 0 | 0 | 111.7 | I77 E78 F79 E85 V86 R88 A91 | I77-M81 HydrophobicContact CG2-CG 4.31Å; I77-M81 HydrophobicContact CG2-SD 3.87Å; I77-M81 WeakPolarHBondContact O-CB 3.28Å; I77-M81 VanDerWaalsContact O-CG 3.25Å; I77-M81 WeakPolarHBondContact O-CG 3.46Å; I77-M81 PolarHBondContact O-N 3.18Å; E78-M81 PolarHBondContact O-N 3.41Å; F79-M81 PolarHBondContact O-N 3.09Å; M81-E85 VanDerWaalsContact O-CA 3.26Å; M81-E85 WeakPolarHBondContact O-CA 3.44Å; M81-E85 PolarHBondContact O-N 2.92Å; M81-E85 VanDerWaalsContact O-N 3.14Å; M81-V86 PolarHBondContact O-N 3.29Å; M81-R88 HydrophobicContact CE-CB 4.15Å; M81-R88 HydrophobicContact SD-CB 3.71Å; M81-R88 HydrophobicContact SD-CG 4.16Å; M81-A91 HydrophobicContact CG-CB 3.89Å |
| 82 | N | 96.3 | Very high | 94.8 | Very high | 131 Ų | 131 | 80.9 Ų | 80.9 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -74.5 | -41.1 | -178.4 | -68.6 | -15.8 | 0 | 0 | 0 | 112.4 | E78 F79 I80 | E78-N82 WeakPolarHBondContact O-CB 3.4Å; E78-N82 VanDerWaalsContact O-CG 3.23Å; E78-N82 PolarHBondContact O-N 2.94Å; E78-N82 PolarHBondContact O-ND2 2.68Å; F79-N82 PolarHBondContact O-N 3.47Å; I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 2.85Å |
| 83 | E | 94.4 | Very high | 95 | Very high | 132 Ų | 132 | 84.5 Ų | 84.5 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.5 | -39 | -175.1 | -167.5 | 66.7 | -159 | 0 | 0 | 112.6 | F79 | F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.2Å |
| 84 | M | 95 | Very high | 95 | Very high | 47 Ų | 47 | 77.7 Ų | 77.7 | 23% | 0.232 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -99 | -1.8 | -176.7 | -60.9 | -67.8 | -51 | 0 | 0 | 113.2 | I80 V86 L106 L109 L110 | I80-M84 HydrophobicContact CG2-CG 4.28Å; I80-M84 WeakPolarHBondContact O-CB 3.26Å; I80-M84 PolarHBondContact O-N 3.38Å; M84-V86 HydrophobicContact CB-CG1 3.98Å; M84-V86 HydrophobicContact CB-CG2 4.17Å; M84-V86 WeakPolarHBondContact O-CG1 3.46Å; M84-V86 PolarHBondContact O-N 3.5Å; M84-L106 HydrophobicContact CG-CD2 3.55Å; M84-L106 HydrophobicContact SD-CD2 3.78Å; M84-L109 HydrophobicContact CB-CD1 4.49Å; M84-L109 HydrophobicContact CE-CB 3.66Å; M84-L109 HydrophobicContact CG-CD1 4.02Å; M84-L110 HydrophobicContact CE-CD2 3.78Å; M84-L110 HydrophobicContact CE-CG 4.04Å; M84-L110 HydrophobicContact SD-CD2 4.32Å; M84-L110 HydrophobicContact SD-CG 4.4Å |
| 85 | E | 95 | Very high | 94.9 | Very high | 183 Ų | 183 | 71 Ų | 71 | 86% | 0.855 | 35% | 0.35 | S | S | * | . | trans | 50.7 | 37.5 | -175.3 | -58.9 | -167.5 | 140.9 | 0 | 0 | 113.7 | M81 | M81-E85 VanDerWaalsContact O-CA 3.26Å; M81-E85 WeakPolarHBondContact O-CA 3.44Å; M81-E85 PolarHBondContact O-N 2.92Å; M81-E85 VanDerWaalsContact O-N 3.14Å | ||
| 86 | V | 95.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 70.1 Ų | 70.1 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | trans | -100.7 | 157.2 | -179.4 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | I80 M81 M84 I90 A91 | I80-V86 HydrophobicContact CG2-CG2 4.08Å; M81-V86 PolarHBondContact O-N 3.29Å; M84-V86 HydrophobicContact CB-CG1 3.98Å; M84-V86 HydrophobicContact CB-CG2 4.17Å; M84-V86 WeakPolarHBondContact O-CG1 3.46Å; M84-V86 PolarHBondContact O-N 3.5Å; V86-I90 HydrophobicContact CB-CB 4.07Å; V86-I90 HydrophobicContact CB-CG2 3.96Å; V86-I90 HydrophobicContact CG1-CG2 4.08Å; V86-I90 HydrophobicContact CG2-CB 4.37Å; V86-I90 HydrophobicContact CG2-CG2 4.22Å; V86-A91 HydrophobicContact CG2-CB 4.09Å | ||
| 87 | T | 96.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 52% | 0.521 | 35% | 0.351 | S | S | . | . | trans | -63.7 | 154 | 171.7 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | H89 I90 A91 | T87-H89 PolarHBondContact O-N 3.18Å; T87-H89 VanDerWaalsContact O-N 3.16Å; T87-I90 PolarHBondContact O-N 3.46Å; T87-I90 WeakPolarHBondContact OG1-CG1 3.35Å; T87-I90 PolarHBondContact OG1-N 2.98Å; T87-A91 PolarHBondContact O-N 2.96Å; T87-A91 VanDerWaalsContact O-N 3.09Å | ||
| 88 | R | 95.3 | Very high | 94.2 | Very high | 137 Ų | 137 | 74.1 Ų | 74.1 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -49 | -43.1 | 173.8 | 179.1 | -178.8 | -68.4 | -148.6 | 1.8 | 112.4 | I77 M81 I90 A91 E92 | I77-R88 HydrophobicContact CG2-CG 4.17Å; M81-R88 HydrophobicContact CE-CB 4.15Å; M81-R88 HydrophobicContact SD-CB 3.71Å; M81-R88 HydrophobicContact SD-CG 4.16Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 3.14Å; R88-A91 PolarHBondContact O-N 3.46Å; R88-E92 VanDerWaalsContact CD-OE1 3.32Å; R88-E92 WeakPolarHBondContact CD-OE1 3.33Å; R88-E92 HydrophobicContact CG-CG 4.17Å; R88-E92 VanDerWaalsContact CG-OE1 3.27Å; R88-E92 WeakPolarHBondContact CG-OE1 3.4Å; R88-E92 WeakPolarHBondContact O-CB 3.26Å; R88-E92 WeakPolarHBondContact O-CG 3.28Å; R88-E92 PolarHBondContact O-N 3.19Å |
| 89 | H | 93.9 | Very high | 93.8 | Very high | 135 Ų | 135 | 77 Ų | 77 | 63% | 0.625 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | -178.3 | -177.5 | 65.7 | 0 | 0 | 0 | 112.3 | T87 K93 | T87-H89 PolarHBondContact O-N 3.18Å; T87-H89 VanDerWaalsContact O-N 3.16Å; H89-K93 VanDerWaalsContact O-CB 3.26Å; H89-K93 WeakPolarHBondContact O-CB 3.35Å; H89-K93 PolarHBondContact O-N 3.42Å |
| 90 | I | 93.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 73 Ų | 73 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -43.8 | 177.9 | -64.6 | 170.1 | 0 | 0 | 0 | 110.4 | V86 T87 R88 K93 A94 L109 | V86-I90 HydrophobicContact CB-CB 4.07Å; V86-I90 HydrophobicContact CB-CG2 3.96Å; V86-I90 HydrophobicContact CG1-CG2 4.08Å; V86-I90 HydrophobicContact CG2-CB 4.37Å; V86-I90 HydrophobicContact CG2-CG2 4.22Å; T87-I90 PolarHBondContact O-N 3.46Å; T87-I90 WeakPolarHBondContact OG1-CG1 3.35Å; T87-I90 PolarHBondContact OG1-N 2.98Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 3.14Å; I90-K93 PolarHBondContact O-N 3.39Å; I90-A94 WeakPolarHBondContact O-CB 3.34Å; I90-A94 PolarHBondContact O-N 3.09Å; I90-L109 HydrophobicContact CG2-CD2 3.74Å |
| 91 | A | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I77 I80 M81 V86 T87 R88 K93 A94 L95 | I77-A91 HydrophobicContact CG2-CB 4.18Å; I80-A91 HydrophobicContact CB-CB 4.12Å; I80-A91 HydrophobicContact CG2-CB 3.73Å; M81-A91 HydrophobicContact CG-CB 3.89Å; V86-A91 HydrophobicContact CG2-CB 4.09Å; T87-A91 PolarHBondContact O-N 2.96Å; T87-A91 VanDerWaalsContact O-N 3.09Å; R88-A91 PolarHBondContact O-N 3.46Å; A91-K93 VanDerWaalsContact C-N 3.35Å; A91-K93 PolarHBondContact O-N 3.13Å; A91-A94 PolarHBondContact O-N 3.09Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 2.8Å |
| 92 | E | 92.7 | Very high | 93.2 | Very high | 65 Ų | 65 | 75.9 Ų | 75.9 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 176 | -75.5 | 176.3 | -175.6 | 0 | 0 | 111.8 | I77 R88 L95 N96 | I77-E92 HydrophobicContact CD1-CG 3.75Å; I77-E92 HydrophobicContact CG1-CG 4.11Å; I77-E92 HydrophobicContact CG2-CG 4.11Å; R88-E92 VanDerWaalsContact CD-OE1 3.32Å; R88-E92 WeakPolarHBondContact CD-OE1 3.33Å; R88-E92 HydrophobicContact CG-CG 4.17Å; R88-E92 VanDerWaalsContact CG-OE1 3.27Å; R88-E92 WeakPolarHBondContact CG-OE1 3.4Å; R88-E92 WeakPolarHBondContact O-CB 3.26Å; R88-E92 WeakPolarHBondContact O-CG 3.28Å; R88-E92 PolarHBondContact O-N 3.19Å; E92-L95 PolarHBondContact O-N 3.48Å; E92-N96 WeakPolarHBondContact O-CB 3.43Å; E92-N96 PolarHBondContact O-N 3.25Å; E92-N96 PolarHBondContact O-ND2 3.46Å |
| 93 | K | 91.7 | Very high | 93.1 | Very high | 113 Ų | 113 | 76 Ų | 76 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.7 | -177.1 | -179.5 | 177.3 | -175.4 | 0 | 111.4 | H89 I90 A91 L95 N96 Q97 | H89-K93 VanDerWaalsContact O-CB 3.26Å; H89-K93 WeakPolarHBondContact O-CB 3.35Å; H89-K93 PolarHBondContact O-N 3.42Å; I90-K93 PolarHBondContact O-N 3.39Å; A91-K93 VanDerWaalsContact C-N 3.35Å; A91-K93 PolarHBondContact O-N 3.13Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.35Å; K93-N96 PolarHBondContact O-N 2.87Å; K93-Q97 HydrophobicContact CG-CG 4.45Å; K93-Q97 WeakPolarHBondContact O-CB 3.36Å; K93-Q97 VanDerWaalsContact O-CG 3.28Å; K93-Q97 WeakPolarHBondContact O-CG 3.45Å; K93-Q97 PolarHBondContact O-N 2.86Å |
| 94 | A | 92.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 73.1 Ų | 73.1 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I90 A91 Q97 N98 A105 L109 | I90-A94 WeakPolarHBondContact O-CB 3.34Å; I90-A94 PolarHBondContact O-N 3.09Å; A91-A94 PolarHBondContact O-N 3.09Å; A94-Q97 PolarHBondContact O-N 3.42Å; A94-N98 WeakPolarHBondContact O-CB 3.22Å; A94-N98 PolarHBondContact O-N 3.4Å; A94-N98 VanDerWaalsContact O-N 3.09Å; A94-N98 PolarHBondContact O-ND2 3.37Å; A94-A105 HydrophobicContact CB-CB 4.18Å; A94-L109 HydrophobicContact CB-CD1 4.03Å; A94-L109 HydrophobicContact CB-CD2 4.09Å; A94-L109 HydrophobicContact CB-CG 4.02Å |
| 95 | L | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 175.8 | -74.7 | 166.4 | 0 | 0 | 0 | 112.2 | I72 D76 I77 I80 A91 E92 K93 N98 H99 G100 V102 A105 | I72-L95 HydrophobicContact CD1-CB 3.76Å; I72-L95 HydrophobicContact CG1-CB 4.25Å; I72-L95 HydrophobicContact CG2-CB 4.14Å; I72-L95 HydrophobicContact CG2-CD1 3.66Å; I72-L95 HydrophobicContact CG2-CG 4.43Å; D76-L95 HydrophobicContact CB-CD1 4.16Å; D76-L95 HydrophobicContact CB-CD2 4.46Å; I77-L95 HydrophobicContact CB-CD1 4.39Å; I77-L95 HydrophobicContact CG1-CD1 3.65Å; I80-L95 HydrophobicContact CD1-CD1 3.86Å; I80-L95 HydrophobicContact CD1-CD2 3.66Å; I80-L95 HydrophobicContact CD1-CG 3.61Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 2.8Å; E92-L95 PolarHBondContact O-N 3.48Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.35Å; L95-N98 CarbonylContact O-C 3.5Å; L95-N98 PolarHBondContact O-N 3.33Å; L95-H99 PolarHBondContact O-N 3.01Å; L95-G100 PolarHBondContact O-N 2.92Å; L95-V102 HydrophobicContact CD2-CG2 4.33Å; L95-A105 HydrophobicContact CD2-CB 4.08Å; L95-A105 HydrophobicContact CG-CB 4.45Å |
| 96 | N | 91.1 | Very high | 93 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.4 | -83.3 | -55.8 | 0 | 0 | 0 | 112.5 | T67 I72 E92 K93 N98 H99 | T67-N96 HydrophobicContact CG2-CB 4.43Å; I72-N96 HydrophobicContact CD1-CB 4.34Å; I72-N96 VanDerWaalsContact CD1-CG 3.47Å; I72-N96 VanDerWaalsContact CD1-OD1 3.22Å; I72-N96 WeakPolarHBondContact CD1-OD1 3.4Å; E92-N96 WeakPolarHBondContact O-CB 3.43Å; E92-N96 PolarHBondContact O-N 3.25Å; E92-N96 PolarHBondContact O-ND2 3.46Å; K93-N96 PolarHBondContact O-N 2.87Å; N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.43Å; N96-H99 PolarHBondContact O-N 2.89Å |
| 97 | Q | 89.4 | Confident | 92.9 | Very high | 105 Ų | 105 | 67.1 Ų | 67.1 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 178.1 | -71.6 | 175.5 | -40.1 | 0 | 0 | 112.5 | T67 K93 A94 | T67-Q97 HydrophobicContact CG2-CG 4.39Å; K93-Q97 HydrophobicContact CG-CG 4.45Å; K93-Q97 WeakPolarHBondContact O-CB 3.36Å; K93-Q97 VanDerWaalsContact O-CG 3.28Å; K93-Q97 WeakPolarHBondContact O-CG 3.45Å; K93-Q97 PolarHBondContact O-N 2.86Å; A94-Q97 PolarHBondContact O-N 3.42Å |
| 98 | N | 91 | Very high | 92.8 | Very high | 38 Ų | 38 | 65.4 Ų | 65.4 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 22.4 | -178.5 | -66.6 | -80.3 | 0 | 0 | 0 | 113 | A94 L95 N96 G100 N101 E104 A105 S108 | A94-N98 WeakPolarHBondContact O-CB 3.22Å; A94-N98 PolarHBondContact O-N 3.4Å; A94-N98 VanDerWaalsContact O-N 3.09Å; A94-N98 PolarHBondContact O-ND2 3.37Å; L95-N98 CarbonylContact O-C 3.5Å; L95-N98 PolarHBondContact O-N 3.33Å; N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.43Å; N98-G100 PolarHBondContact O-N 2.99Å; N98-G100 VanDerWaalsContact O-N 3.13Å; N98-N101 VanDerWaalsContact O-CB 3.28Å; N98-N101 WeakPolarHBondContact O-CB 3.43Å; N98-N101 PolarHBondContact O-N 3.3Å; N98-E104 HydrophobicContact CB-CB 4.21Å; N98-A105 HydrophobicContact CB-CB 4.29Å; N98-S108 PolarHBondContact ND2-OG 3.48Å |
| 99 | H | 88.4 | Confident | 92.6 | Very high | 144 Ų | 144 | 61 Ų | 61 | 67% | 0.667 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.5 | 176.6 | -55.4 | -70.8 | 0 | 0 | 0 | 114.7 | L95 N96 N101 | L95-H99 PolarHBondContact O-N 3.01Å; N96-H99 PolarHBondContact O-N 2.89Å; H99-N101 VanDerWaalsContact C-N 3.29Å; H99-N101 PolarHBondContact O-N 3.28Å |
| 100 | G | 89.8 | Confident | 92.5 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 7.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | L95 N98 V102 | L95-G100 PolarHBondContact O-N 2.92Å; N98-G100 PolarHBondContact O-N 2.99Å; N98-G100 VanDerWaalsContact O-N 3.13Å; G100-V102 PolarHBondContact O-N 3.12Å |
| 101 | N | 93.3 | Very high | 92 | Very high | 77 Ų | 77 | 59.8 Ų | 59.8 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | trans | -81.8 | 106.2 | 176.9 | -171.5 | -27.3 | 0 | 0 | 0 | 111 | N98 H99 K103 E104 A105 | N98-N101 VanDerWaalsContact O-CB 3.28Å; N98-N101 WeakPolarHBondContact O-CB 3.43Å; N98-N101 PolarHBondContact O-N 3.3Å; H99-N101 VanDerWaalsContact C-N 3.29Å; H99-N101 PolarHBondContact O-N 3.28Å; N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.04Å; N101-K103 PolarHBondContact OD1-N 3.09Å; N101-K103 VanDerWaalsContact OD1-N 3.09Å; N101-E104 HydrophobicContact CB-CB 4.34Å; N101-E104 HydrophobicContact CB-CG 4.49Å; N101-E104 PolarHBondContact O-N 3.16Å; N101-E104 PolarHBondContact OD1-N 3.39Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.49Å | ||
| 102 | V | 93.9 | Very high | 90.5 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | -178.9 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | D76 F79 I80 L95 G100 A105 L106 | D76-V102 HydrophobicContact CB-CG2 3.86Å; F79-V102 HydrophobicContact CD1-CG1 3.79Å; F79-V102 HydrophobicContact CE1-CG1 3.93Å; I80-V102 HydrophobicContact CD1-CG1 4.29Å; I80-V102 HydrophobicContact CG1-CG1 4.25Å; L95-V102 HydrophobicContact CD2-CG2 4.33Å; G100-V102 PolarHBondContact O-N 3.12Å; V102-A105 PolarHBondContact O-N 3.44Å; V102-L106 HydrophobicContact CG1-CD1 4.26Å; V102-L106 WeakPolarHBondContact O-CG 3.27Å; V102-L106 PolarHBondContact O-N 2.84Å |
| 103 | K | 94.3 | Very high | 90.3 | Very high | 134 Ų | 134 | 72.7 Ų | 72.7 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.7 | -46.1 | -177.3 | -179 | -178.2 | 178.8 | -179.3 | 0 | 111.8 | N101 L106 K107 | N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.04Å; N101-K103 PolarHBondContact OD1-N 3.09Å; N101-K103 VanDerWaalsContact OD1-N 3.09Å; K103-L106 PolarHBondContact O-N 3.33Å; K103-K107 WeakPolarHBondContact O-CG 3.47Å; K103-K107 PolarHBondContact O-N 3.28Å; K103-K107 VanDerWaalsContact O-N 3.09Å |
| 104 | E | 93.9 | Very high | 90.3 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.4 | -34.2 | 178.3 | -61.4 | -53 | 129.8 | 0 | 0 | 111.1 | N98 N101 K107 S108 | N98-E104 HydrophobicContact CB-CB 4.21Å; N101-E104 HydrophobicContact CB-CB 4.34Å; N101-E104 HydrophobicContact CB-CG 4.49Å; N101-E104 PolarHBondContact O-N 3.16Å; N101-E104 PolarHBondContact OD1-N 3.39Å; E104-K107 PolarHBondContact O-N 3.25Å; E104-K107 IonicContact OE1-NZ 3.43Å; E104-K107 PolarHBondContact OE1-NZ 3.34Å; E104-K107 WeakPolarHBondContact OE2-CD 3.26Å; E104-K107 IonicContact OE2-NZ 3.64Å; E104-K107 PolarHBondContact OE2-NZ 3.03Å; E104-S108 WeakPolarHBondContact O-CB 3.41Å; E104-S108 PolarHBondContact O-N 2.96Å; E104-S108 PolarHBondContact O-OG 3.44Å |
| 105 | A | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I80 A94 L95 N98 N101 V102 S108 L109 | I80-A105 HydrophobicContact CD1-CB 3.91Å; A94-A105 HydrophobicContact CB-CB 4.18Å; L95-A105 HydrophobicContact CD2-CB 4.08Å; L95-A105 HydrophobicContact CG-CB 4.45Å; N98-A105 HydrophobicContact CB-CB 4.29Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.49Å; V102-A105 PolarHBondContact O-N 3.44Å; A105-S108 PolarHBondContact O-N 3.03Å; A105-S108 PolarHBondContact O-OG 3.42Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.37Å; A105-L109 VanDerWaalsContact O-N 3.08Å |
| 106 | L | 94.7 | Very high | 89.9 | Confident | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.4 | -73.4 | 171.4 | 0 | 0 | 0 | 112.3 | F79 I80 M84 V102 K103 S108 L109 L110 | F79-L106 HydrophobicContact CE1-CD1 4.03Å; I80-L106 HydrophobicContact CG1-CD2 4.18Å; M84-L106 HydrophobicContact CG-CD2 3.55Å; M84-L106 HydrophobicContact SD-CD2 3.78Å; V102-L106 HydrophobicContact CG1-CD1 4.26Å; V102-L106 WeakPolarHBondContact O-CG 3.27Å; V102-L106 PolarHBondContact O-N 2.84Å; K103-L106 PolarHBondContact O-N 3.33Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 2.91Å; L106-L109 PolarHBondContact O-N 3.3Å; L106-L110 WeakPolarHBondContact O-CG 2.87Å; L106-L110 PolarHBondContact O-N 3.4Å; L106-L110 VanDerWaalsContact O-N 3.14Å |
| 107 | K | 94.4 | Very high | 89.9 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 174.4 | -72.4 | 172.1 | 176.7 | 176.3 | 0 | 112 | K103 E104 L109 L110 A111 | K103-K107 WeakPolarHBondContact O-CG 3.47Å; K103-K107 PolarHBondContact O-N 3.28Å; K103-K107 VanDerWaalsContact O-N 3.09Å; E104-K107 PolarHBondContact O-N 3.25Å; E104-K107 IonicContact OE1-NZ 3.43Å; E104-K107 PolarHBondContact OE1-NZ 3.34Å; E104-K107 WeakPolarHBondContact OE2-CD 3.26Å; E104-K107 IonicContact OE2-NZ 3.64Å; E104-K107 PolarHBondContact OE2-NZ 3.03Å; K107-L109 PolarHBondContact O-N 3.4Å; K107-L110 PolarHBondContact O-N 2.91Å; K107-A111 PolarHBondContact O-N 3.44Å |
| 108 | S | 92.5 | Very high | 89.9 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -28.7 | -179.9 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | N98 E104 A105 L106 | N98-S108 PolarHBondContact ND2-OG 3.48Å; E104-S108 WeakPolarHBondContact O-CB 3.41Å; E104-S108 PolarHBondContact O-N 2.96Å; E104-S108 PolarHBondContact O-OG 3.44Å; A105-S108 PolarHBondContact O-N 3.03Å; A105-S108 PolarHBondContact O-OG 3.42Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 2.91Å |
| 109 | L | 92.3 | Very high | 89.8 | Confident | 43 Ų | 43 | 82.3 Ų | 82.3 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -80.4 | -22.7 | 175.6 | -67.7 | 165.6 | 0 | 0 | 0 | 112.9 | I80 M84 I90 A94 A105 L106 K107 | I80-L109 HydrophobicContact CG2-CD1 3.66Å; M84-L109 HydrophobicContact CB-CD1 4.49Å; M84-L109 HydrophobicContact CE-CB 3.66Å; M84-L109 HydrophobicContact CG-CD1 4.02Å; I90-L109 HydrophobicContact CG2-CD2 3.74Å; A94-L109 HydrophobicContact CB-CD1 4.03Å; A94-L109 HydrophobicContact CB-CD2 4.09Å; A94-L109 HydrophobicContact CB-CG 4.02Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.37Å; A105-L109 VanDerWaalsContact O-N 3.08Å; L106-L109 PolarHBondContact O-N 3.3Å; K107-L109 PolarHBondContact O-N 3.4Å |
| 110 | L | 92.3 | Very high | 89.9 | Confident | 106 Ų | 106 | 77.5 Ų | 77.5 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -90.1 | -14.8 | 176.3 | -69.1 | 171.4 | 0 | 0 | 0 | 113.5 | M84 L106 K107 F112 | M84-L110 HydrophobicContact CE-CD2 3.78Å; M84-L110 HydrophobicContact CE-CG 4.04Å; M84-L110 HydrophobicContact SD-CD2 4.32Å; M84-L110 HydrophobicContact SD-CG 4.4Å; L106-L110 WeakPolarHBondContact O-CG 2.87Å; L106-L110 PolarHBondContact O-N 3.4Å; L106-L110 VanDerWaalsContact O-N 3.14Å; K107-L110 PolarHBondContact O-N 2.91Å; L110-F112 VanDerWaalsContact O-CD2 3.29Å; L110-F112 WeakPolarHBondContact O-CD2 3.45Å; L110-F112 PolarHBondContact O-N 3.14Å |
| 111 | A | 82 | Confident | 89.9 | Confident | 76 Ų | 76 | 82.4 Ų | 82.4 | 63% | 0.628 | 42% | 0.422 | S | S | * | . | trans | -74.9 | 102.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K107 | K107-A111 PolarHBondContact O-N 3.44Š| ||
| 112 | F | 62.2 | Low | 89.6 | Confident | 264 Ų | 264 | 82.9 Ų | 82.9 | 100% | 1.158 | 42% | 0.423 | S | S | * | . | trans | -85.6 | 0 | 171 | -62.1 | -77.8 | 0 | 0 | 0 | 111.9 | L110 | L110-F112 VanDerWaalsContact O-CD2 3.29Å; L110-F112 WeakPolarHBondContact O-CD2 3.45Å; L110-F112 PolarHBondContact O-N 3.14Å |
Retrieved 112 of 112 residues in 218.9 ms
(Link to these results)