| 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 | 48.5 | Very low | 46.3 | Very low | 224 Ų | 224 | 155.6 Ų | 155.6 | 100% | 1.103 | 84% | 0.844 | S | S | * | * | 0 | 123.8 | 0 | -58.9 | -154.2 | -172.8 | 0 | 0 | 105.5 | |||||
| 2 | E | 44.1 | Very low | 47.1 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | cis | -133.5 | 141.8 | 20.2 | -76.8 | 105.4 | 140.3 | 0 | 0 | 113.3 | ||||
| 3 | D | 48 | Very low | 48 | Very low | 156 Ų | 156 | 161.8 Ų | 161.8 | 83% | 0.834 | 85% | 0.845 | S | S | * | * | trans | -59 | 136.3 | 167.4 | -55.9 | -92.9 | 0 | 0 | 0 | 112.9 | ||||
| 4 | N | 45.6 | Very low | 48.9 | Very low | 152 Ų | 152 | 159.7 Ų | 159.7 | 81% | 0.813 | 85% | 0.846 | S | S | * | * | trans | -149.9 | 76 | 150.4 | -148 | -3.4 | 0 | 0 | 0 | 113.6 | ||||
| 5 | K | 43.8 | Very low | 49.5 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 80% | 0.796 | 83% | 0.829 | S | S | * | * | 34.4 | 98.8 | 128.7 | -162.4 | 164.8 | -177.1 | 168.5 | 0 | 116.1 | V7 | K5-V7 PolarHBondContact O-N 3.47Š| |||
| 6 | M | 44.5 | Very low | 50 | Low | 195 Ų | 195 | 154.4 Ų | 154.4 | 96% | 0.961 | 83% | 0.826 | S | S | * | * | trans | -53.3 | 100.7 | 161.5 | -68.1 | 121.8 | 177.7 | 0 | 0 | 109.9 | ||||
| 7 | V | 44.8 | Very low | 50.6 | Low | 130 Ų | 130 | 160.3 Ų | 160.3 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | trans | -79 | 126.3 | 176 | 88.6 | 0 | 0 | 0 | 0 | 108.8 | K5 G9 | K5-V7 PolarHBondContact O-N 3.47Å; V7-G9 VanDerWaalsContact C-N 3.3Å; V7-G9 PolarHBondContact O-N 3.37Å | ||
| 8 | A | 51.5 | Low | 51.2 | Low | 101 Ų | 101 | 155.3 Ų | 155.3 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -56.7 | 87.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K10 | A8-K10 PolarHBondContact O-N 2.76Å; A8-K10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | G | 43.6 | Very low | 51.8 | Low | 67 Ų | 67 | 157.1 Ų | 157.1 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -80.1 | 84.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V7 V11 | V7-G9 VanDerWaalsContact C-N 3.3Å; V7-G9 PolarHBondContact O-N 3.37Å; G9-V11 PolarHBondContact O-N 2.88Å | ||
| 10 | K | 43.6 | Very low | 52.3 | Low | 199 Ų | 199 | 158.5 Ų | 158.5 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -14.8 | 102.7 | 163 | -152.8 | 157.6 | -174.3 | 166.9 | 0 | 112.7 | A8 K12 | A8-K10 PolarHBondContact O-N 2.76Å; A8-K10 VanDerWaalsContact O-N 3.11Å; K10-K12 PolarHBondContact O-N 3.35Å | ||
| 11 | V | 51.9 | Low | 52.9 | Low | 127 Ų | 127 | 155.7 Ų | 155.7 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -45.9 | 109.3 | 172.3 | 174.3 | 0 | 0 | 0 | 0 | 108.4 | G9 K13 | G9-V11 PolarHBondContact O-N 2.88Å; V11-K13 PolarHBondContact O-N 3.43Å | ||
| 12 | K | 55.9 | Low | 54 | Low | 204 Ų | 204 | 148.5 Ų | 148.5 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 103.6 | 172.6 | -81.2 | -169.5 | 178.1 | 173.7 | 0 | 107.3 | K10 | K10-K12 PolarHBondContact O-N 3.35Š| ||
| 13 | K | 58.6 | Low | 55 | Low | 188 Ų | 188 | 150.3 Ų | 150.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -34 | 128.7 | 175.5 | -64.2 | 178.3 | 172.6 | -179 | 0 | 112.3 | V11 G15 | V11-K13 PolarHBondContact O-N 3.43Å; K13-G15 PolarHBondContact O-N 3.34Å | ||
| 14 | P | 59.8 | Low | 56 | Low | 132 Ų | 132 | 146.7 Ų | 146.7 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -77.5 | 64.7 | 166.5 | 33.9 | -32.9 | 0 | 0 | 0 | 108.9 | ||||
| 15 | G | 58.8 | Low | 57.8 | Low | 57 Ų | 57 | 144.3 Ų | 144.3 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | trans | -125.9 | 42.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K13 | K13-G15 PolarHBondContact O-N 3.34Š| ||
| 16 | K | 56.8 | Low | 59.8 | Low | 178 Ų | 178 | 142 Ų | 142 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | -141.8 | 40.1 | 163.9 | -68.1 | -164.3 | -178.4 | -177.3 | 0 | 112 | G18 | K16-G18 PolarHBondContact O-N 3.04Š| ||
| 17 | R | 59.9 | Low | 62 | Low | 254 Ų | 254 | 140.6 Ų | 140.6 | 96% | 0.958 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 109.3 | 155.6 | -90.9 | 173.6 | 149.5 | 161.5 | -7.8 | 106.6 | ||
| 18 | G | 61.9 | Low | 64.1 | Low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.8 | 5.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | K16 K20 | K16-G18 PolarHBondContact O-N 3.04Å; G18-K20 PolarHBondContact O-N 3.31Å |
| 19 | R | 63.1 | Low | 66.1 | Low | 188 Ų | 188 | 137.4 Ų | 137.4 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | trans | -68 | 105.2 | 164.7 | -167.1 | 176.5 | -170.8 | -107.8 | 3.5 | 107.3 | ||||
| 20 | K | 60.6 | Low | 68.6 | Low | 185 Ų | 185 | 138.1 Ų | 138.1 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -45 | 124.9 | 171.9 | -68 | -178.4 | 179.7 | 179.1 | 0 | 107.2 | G18 A22 | G18-K20 PolarHBondContact O-N 3.31Å; K20-A22 PolarHBondContact O-N 3.19Å | ||
| 21 | P | 66.8 | Low | 71.1 | Confident | 101 Ų | 101 | 132.6 Ų | 132.6 | 66% | 0.656 | 67% | 0.673 | S | S | * | * | trans | -53.8 | 124.7 | 177.1 | 19.4 | -28.6 | 0 | 0 | 0 | 107.2 | K23 | P21-K23 PolarHBondContact O-N 2.88Š| ||
| 22 | A | 70.1 | Confident | 73.1 | Confident | 73 Ų | 73 | 132.7 Ų | 132.7 | 60% | 0.603 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -50.9 | 136 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | K20 I24 | K20-A22 PolarHBondContact O-N 3.19Å; A22-I24 VanDerWaalsContact C-N 3.33Å; A22-I24 PolarHBondContact O-N 3.47Å |
| 23 | K | 65.9 | Low | 75 | Confident | 215 Ų | 215 | 126.6 Ų | 126.6 | 94% | 0.935 | 64% | 0.643 | S | S | * | * | trans | -18.4 | 91.2 | -174.3 | -78 | 174.4 | 178.6 | 176.2 | 0 | 111.1 | P21 D25 | P21-K23 PolarHBondContact O-N 2.88Å; K23-D25 PolarHBondContact O-N 2.88Å | ||
| 24 | I | 68.4 | Low | 76.9 | Confident | 81 Ų | 81 | 123.9 Ų | 123.9 | 42% | 0.415 | 63% | 0.627 | S | S | . | * | trans | -67 | 130 | -180 | -150.3 | 161.2 | 0 | 0 | 0 | 105.3 | A22 L26 K29 | A22-I24 VanDerWaalsContact C-N 3.33Å; A22-I24 PolarHBondContact O-N 3.47Å; I24-L26 PolarHBondContact O-N 3.26Å; I24-K29 HydrophobicContact CG2-CB 3.95Å; I24-K29 HydrophobicContact CG2-CD 4.13Å; I24-K29 HydrophobicContact CG2-CG 4.42Å | ||
| 25 | D | 83.6 | Confident | 78.7 | Confident | 102 Ų | 102 | 121.8 Ų | 121.8 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | trans | -52.9 | 123.1 | 177.9 | 178.5 | 9.5 | 0 | 0 | 0 | 108.2 | K23 K27 A28 K29 | K23-D25 PolarHBondContact O-N 2.88Å; D25-K27 PolarHBondContact O-N 2.97Å; D25-K27 PolarHBondContact OD1-N 3.38Å; D25-A28 HydrophobicContact CB-CB 4.04Å; D25-A28 WeakPolarHBondContact O-CA 3.44Å; D25-A28 WeakPolarHBondContact O-CB 3.48Å; D25-A28 PolarHBondContact O-N 3.23Å; D25-K29 PolarHBondContact O-N 3.45Å | ||
| 26 | L | 86.3 | Confident | 80.5 | Confident | 135 Ų | 135 | 121.9 Ų | 121.9 | 71% | 0.707 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -55.1 | -36.9 | -176.9 | -178.2 | 65.1 | 0 | 0 | 0 | 109.8 | I24 K29 L30 | I24-L26 PolarHBondContact O-N 3.26Å; L26-K29 PolarHBondContact O-N 3.12Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 3.48Å |
| 27 | K | 89.5 | Confident | 82.5 | Confident | 164 Ų | 164 | 115.5 Ų | 115.5 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -46.6 | 174.6 | -171.1 | 177.5 | -178.7 | 178.5 | 0 | 111.6 | D25 K29 L30 E31 | D25-K27 PolarHBondContact O-N 2.97Å; D25-K27 PolarHBondContact OD1-N 3.38Å; K27-K29 PolarHBondContact O-N 2.99Å; K27-L30 PolarHBondContact O-N 3.49Å; K27-E31 WeakPolarHBondContact O-CB 3.27Å; K27-E31 PolarHBondContact O-N 3.3Å |
| 28 | A | 89.9 | Confident | 84.3 | Confident | 34 Ų | 34 | 110.7 Ų | 110.7 | 28% | 0.281 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.4 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D25 R32 | D25-A28 HydrophobicContact CB-CB 4.04Å; D25-A28 WeakPolarHBondContact O-CA 3.44Å; D25-A28 WeakPolarHBondContact O-CB 3.48Å; D25-A28 PolarHBondContact O-N 3.23Å; A28-R32 VanDerWaalsContact C-NH2 3.3Å; A28-R32 PolarHBondContact O-N 2.94Å; A28-R32 VanDerWaalsContact O-N 3.12Å; A28-R32 PolarHBondContact O-NH2 2.96Å |
| 29 | K | 93.8 | Very high | 86.1 | Confident | 131 Ų | 131 | 111.4 Ų | 111.4 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.4 | -43.7 | 175 | -171.8 | 179.1 | -179.6 | -176.5 | 0 | 111.3 | I24 D25 L26 K27 E31 R32 S33 | I24-K29 HydrophobicContact CG2-CB 3.95Å; I24-K29 HydrophobicContact CG2-CD 4.13Å; I24-K29 HydrophobicContact CG2-CG 4.42Å; D25-K29 PolarHBondContact O-N 3.45Å; L26-K29 PolarHBondContact O-N 3.12Å; K27-K29 PolarHBondContact O-N 2.99Å; K29-E31 VanDerWaalsContact C-N 3.34Å; K29-R32 PolarHBondContact O-N 2.89Å; K29-S33 PolarHBondContact O-N 3.22Å |
| 30 | L | 95.1 | Very high | 87.7 | Confident | 82 Ų | 82 | 106 Ų | 106 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | -179.8 | -163.5 | 144.4 | 0 | 0 | 0 | 111 | L26 K27 S33 R34 | L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 3.48Å; K27-L30 PolarHBondContact O-N 3.49Å; L30-S33 PolarHBondContact O-N 3.39Å; L30-R34 HydrophobicContact CD2-CG 4.35Å; L30-R34 WeakPolarHBondContact O-CG 3.3Å; L30-R34 PolarHBondContact O-N 2.96Å |
| 31 | E | 95.9 | Very high | 89.5 | Confident | 83 Ų | 83 | 106.4 Ų | 106.4 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.1 | -39.2 | 177.2 | -158.1 | 54.7 | -140.1 | 0 | 0 | 112.9 | K27 K29 S33 R34 Q35 | K27-E31 WeakPolarHBondContact O-CB 3.27Å; K27-E31 PolarHBondContact O-N 3.3Å; K29-E31 VanDerWaalsContact C-N 3.34Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 3.34Å; E31-R34 PolarHBondContact O-N 3.47Å; E31-R34 WeakPolarHBondContact OE2-CD 3.45Å; E31-R34 IonicContact OE2-NH1 3.08Å; E31-R34 PolarHBondContact OE2-NH1 2.92Å; E31-R34 VanDerWaalsContact OE2-NH1 3.08Å; E31-Q35 WeakPolarHBondContact O-CB 3.33Å; E31-Q35 PolarHBondContact O-N 3.24Å |
| 32 | R | 94.5 | Very high | 91.1 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 171.2 | -82.5 | -173.4 | -67.4 | -89.7 | -13.7 | 112.7 | A28 K29 Q35 S36 | A28-R32 VanDerWaalsContact C-NH2 3.3Å; A28-R32 PolarHBondContact O-N 2.94Å; A28-R32 VanDerWaalsContact O-N 3.12Å; A28-R32 PolarHBondContact O-NH2 2.96Å; K29-R32 PolarHBondContact O-N 2.89Å; R32-Q35 PolarHBondContact O-N 3.33Å; R32-S36 WeakPolarHBondContact O-CB 3.45Å; R32-S36 PolarHBondContact O-N 3.44Å; R32-S36 PolarHBondContact O-OG 3.02Å |
| 33 | S | 95.8 | Very high | 92.4 | Very high | 76 Ų | 76 | 108.7 Ų | 108.7 | 53% | 0.531 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 111 | K29 L30 E31 Q35 S36 A37 | K29-S33 PolarHBondContact O-N 3.22Å; L30-S33 PolarHBondContact O-N 3.39Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 3.34Å; S33-Q35 VanDerWaalsContact C-N 3.35Å; S33-Q35 PolarHBondContact O-N 3Å; S33-S36 PolarHBondContact O-N 3.38Å; S33-S36 PolarHBondContact O-OG 2.94Å; S33-A37 PolarHBondContact O-N 3.31Å |
| 34 | R | 97.9 | Very high | 94 | Very high | 131 Ų | 131 | 104 Ų | 104 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.6 | -47.6 | 174.3 | -73.1 | 172.7 | 171.8 | 167.9 | -1.1 | 111.9 | L30 E31 S36 A37 R38 | L30-R34 HydrophobicContact CD2-CG 4.35Å; L30-R34 WeakPolarHBondContact O-CG 3.3Å; L30-R34 PolarHBondContact O-N 2.96Å; E31-R34 PolarHBondContact O-N 3.47Å; E31-R34 WeakPolarHBondContact OE2-CD 3.45Å; E31-R34 IonicContact OE2-NH1 3.08Å; E31-R34 PolarHBondContact OE2-NH1 2.92Å; E31-R34 VanDerWaalsContact OE2-NH1 3.08Å; R34-S36 PolarHBondContact O-N 3.34Å; R34-A37 PolarHBondContact O-N 3.17Å; R34-R38 WeakPolarHBondContact O-CG 3.46Å; R34-R38 PolarHBondContact O-N 3.45Å |
| 35 | Q | 98.1 | Very high | 95.4 | Very high | 88 Ų | 88 | 107.7 Ų | 107.7 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 179.4 | -176 | 59.3 | 18.2 | 0 | 0 | 111.6 | E31 R32 S33 A37 R38 E39 | E31-Q35 WeakPolarHBondContact O-CB 3.33Å; E31-Q35 PolarHBondContact O-N 3.24Å; R32-Q35 PolarHBondContact O-N 3.33Å; S33-Q35 VanDerWaalsContact C-N 3.35Å; S33-Q35 PolarHBondContact O-N 3Å; Q35-A37 VanDerWaalsContact C-N 3.27Å; Q35-A37 PolarHBondContact O-N 3.26Å; Q35-R38 WeakPolarHBondContact O-CB 3.5Å; Q35-R38 PolarHBondContact O-N 3Å; Q35-R38 VanDerWaalsContact O-N 3.11Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.45Å; Q35-E39 PolarHBondContact NE2-OE1 3.47Å; Q35-E39 WeakPolarHBondContact O-CG 3.2Å; Q35-E39 PolarHBondContact O-N 2.94Å |
| 36 | S | 97.4 | Very high | 96.1 | Very high | 60 Ų | 60 | 108.3 Ų | 108.3 | 42% | 0.42 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -36.3 | 177.2 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | R32 S33 R34 C40 | R32-S36 WeakPolarHBondContact O-CB 3.45Å; R32-S36 PolarHBondContact O-N 3.44Å; R32-S36 PolarHBondContact O-OG 3.02Å; S33-S36 PolarHBondContact O-N 3.38Å; S33-S36 PolarHBondContact O-OG 2.94Å; R34-S36 PolarHBondContact O-N 3.34Å; S36-C40 WeakPolarHBondContact O-CB 3.42Å; S36-C40 PolarHBondContact O-N 3.34Å |
| 37 | A | 98.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 110.3 Ų | 110.3 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S33 R34 Q35 C40 R41 | S33-A37 PolarHBondContact O-N 3.31Å; R34-A37 PolarHBondContact O-N 3.17Å; Q35-A37 VanDerWaalsContact C-N 3.27Å; Q35-A37 PolarHBondContact O-N 3.26Å; A37-C40 WeakPolarHBondContact O-CB 3.35Å; A37-C40 PolarHBondContact O-N 2.99Å; A37-R41 WeakPolarHBondContact O-CG 3.28Å; A37-R41 PolarHBondContact O-N 3.42Å; A37-R41 VanDerWaalsContact O-N 3.15Å |
| 38 | R | 98.4 | Very high | 97.2 | Very high | 153 Ų | 153 | 108.6 Ų | 108.6 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 173.5 | -68.1 | 179 | -162.5 | -85.9 | 3.9 | 110.9 | R34 Q35 C40 R41 A42 | R34-R38 WeakPolarHBondContact O-CG 3.46Å; R34-R38 PolarHBondContact O-N 3.45Å; Q35-R38 WeakPolarHBondContact O-CB 3.5Å; Q35-R38 PolarHBondContact O-N 3Å; Q35-R38 VanDerWaalsContact O-N 3.11Å; R38-C40 VanDerWaalsContact C-N 3.31Å; R38-C40 PolarHBondContact O-N 3.48Å; R38-R41 PolarHBondContact O-N 3.13Å; R38-R41 VanDerWaalsContact O-N 3.17Å; R38-A42 WeakPolarHBondContact O-CB 3.5Å; R38-A42 PolarHBondContact O-N 2.9Å |
| 39 | E | 98.3 | Very high | 97.6 | Very high | 86 Ų | 86 | 111.1 Ų | 111.1 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 178.1 | -73.4 | 172.3 | -169.2 | 0 | 0 | 112.6 | Q35 A42 R43 | Q35-E39 WeakPolarHBondContact CG-OE1 3.45Å; Q35-E39 PolarHBondContact NE2-OE1 3.47Å; Q35-E39 WeakPolarHBondContact O-CG 3.2Å; Q35-E39 PolarHBondContact O-N 2.94Å; E39-A42 PolarHBondContact O-N 2.9Å; E39-R43 VanDerWaalsContact O-CB 3.27Å; E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.49Å; E39-R43 PolarHBondContact O-N 2.98Å; E39-R43 PolarHBondContact O-NE 3.05Å |
| 40 | C | 98.4 | Very high | 97.8 | Very high | 73 Ų | 73 | 111.4 Ų | 111.4 | 49% | 0.493 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | S36 A37 R38 R43 K44 | S36-C40 WeakPolarHBondContact O-CB 3.42Å; S36-C40 PolarHBondContact O-N 3.34Å; A37-C40 WeakPolarHBondContact O-CB 3.35Å; A37-C40 PolarHBondContact O-N 2.99Å; R38-C40 VanDerWaalsContact C-N 3.31Å; R38-C40 PolarHBondContact O-N 3.48Å; C40-R43 PolarHBondContact O-N 3.05Å; C40-K44 WeakPolarHBondContact O-CB 3.34Å; C40-K44 PolarHBondContact O-N 3.39Å |
| 41 | R | 98.5 | Very high | 98 | Very high | 194 Ų | 194 | 111.3 Ų | 111.3 | 73% | 0.732 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -45.7 | 177.4 | -65.5 | 174 | -172.9 | -162.6 | 1.2 | 111.7 | A37 R38 R43 K44 K45 | A37-R41 WeakPolarHBondContact O-CG 3.28Å; A37-R41 PolarHBondContact O-N 3.42Å; A37-R41 VanDerWaalsContact O-N 3.15Å; R38-R41 PolarHBondContact O-N 3.13Å; R38-R41 VanDerWaalsContact O-N 3.17Å; R41-R43 PolarHBondContact O-N 2.89Å; R41-K44 PolarHBondContact O-N 3.43Å; R41-K45 PolarHBondContact O-N 3.27Å |
| 42 | A | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 113.6 Ų | 113.6 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R38 E39 K44 K45 L46 | R38-A42 WeakPolarHBondContact O-CB 3.5Å; R38-A42 PolarHBondContact O-N 2.9Å; E39-A42 PolarHBondContact O-N 2.9Å; A42-K44 PolarHBondContact O-N 3.4Å; A42-K45 PolarHBondContact O-N 3.4Å; A42-L46 WeakPolarHBondContact O-CB 3.3Å; A42-L46 PolarHBondContact O-N 3.21Å |
| 43 | R | 98.6 | Very high | 98.3 | Very high | 161 Ų | 161 | 112.6 Ų | 112.6 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 175.9 | -76.9 | -177.4 | -72.5 | -176.8 | -5.3 | 112.4 | E39 C40 R41 L46 R47 | E39-R43 VanDerWaalsContact O-CB 3.27Å; E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.49Å; E39-R43 PolarHBondContact O-N 2.98Å; E39-R43 PolarHBondContact O-NE 3.05Å; C40-R43 PolarHBondContact O-N 3.05Å; R41-R43 PolarHBondContact O-N 2.89Å; R43-L46 PolarHBondContact O-N 3.49Å; R43-R47 WeakPolarHBondContact O-CB 3.22Å; R43-R47 PolarHBondContact O-N 3.07Å |
| 44 | K | 98.8 | Very high | 98.4 | Very high | 118 Ų | 118 | 112 Ų | 112 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.3 | -175.1 | 174.3 | 178.7 | 176.9 | 0 | 111.3 | C40 R41 A42 R47 Y48 | C40-K44 WeakPolarHBondContact O-CB 3.34Å; C40-K44 PolarHBondContact O-N 3.39Å; R41-K44 PolarHBondContact O-N 3.43Å; A42-K44 PolarHBondContact O-N 3.4Å; K44-R47 PolarHBondContact O-N 3.2Å; K44-Y48 HydrophobicContact CD-CE2 4.1Å; K44-Y48 VanDerWaalsContact CE-CZ 3.47Å; K44-Y48 WeakPolarHBondContact CE-OH 3.43Å; K44-Y48 HydrophobicContact CG-CD2 4.11Å; K44-Y48 HydrophobicContact CG-CE2 3.69Å; K44-Y48 PolarHBondContact O-N 2.91Å; K44-Y48 VanDerWaalsContact O-N 3.07Å |
| 45 | K | 98.6 | Very high | 98.4 | Very high | 157 Ų | 157 | 109.4 Ų | 109.4 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -49.8 | 176.3 | -172.7 | 179 | -178.7 | -177.5 | 0 | 111.3 | R41 A42 R47 Y48 Q49 | R41-K45 PolarHBondContact O-N 3.27Å; A42-K45 PolarHBondContact O-N 3.4Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-R47 PolarHBondContact O-N 2.96Å; K45-Y48 PolarHBondContact O-N 3.48Å; K45-Q49 WeakPolarHBondContact O-CB 3.41Å; K45-Q49 PolarHBondContact O-N 3.37Å |
| 46 | L | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 107.3 Ų | 107.3 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 179.2 | -175.2 | 64.9 | 0 | 0 | 0 | 112.1 | A42 R43 Y48 Q49 Y50 | A42-L46 WeakPolarHBondContact O-CB 3.3Å; A42-L46 PolarHBondContact O-N 3.21Å; R43-L46 PolarHBondContact O-N 3.49Å; L46-Y48 PolarHBondContact O-N 3.08Å; L46-Q49 PolarHBondContact O-N 3.01Å; L46-Y50 PolarHBondContact O-N 3.42Å |
| 47 | R | 98.6 | Very high | 98.5 | Very high | 178 Ų | 178 | 107.3 Ų | 107.3 | 67% | 0.672 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 177.3 | -178 | 179.1 | 178.5 | -173 | -0.4 | 111.9 | R43 K44 K45 L51 | R43-R47 WeakPolarHBondContact O-CB 3.22Å; R43-R47 PolarHBondContact O-N 3.07Å; K44-R47 PolarHBondContact O-N 3.2Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-R47 PolarHBondContact O-N 2.96Å; R47-L51 HydrophobicContact CG-CD1 4.3Å; R47-L51 WeakPolarHBondContact O-CG 3.39Å; R47-L51 PolarHBondContact O-N 2.87Å; R47-L51 VanDerWaalsContact O-N 3.13Å |
| 48 | Y | 98.7 | Very high | 98.5 | Very high | 127 Ų | 127 | 111.9 Ų | 111.9 | 50% | 0.498 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | 179.4 | -67 | -22 | 0 | 0 | 0 | 112.2 | K44 K45 L46 Y50 L51 E52 | K44-Y48 HydrophobicContact CD-CE2 4.1Å; K44-Y48 VanDerWaalsContact CE-CZ 3.47Å; K44-Y48 WeakPolarHBondContact CE-OH 3.43Å; K44-Y48 HydrophobicContact CG-CD2 4.11Å; K44-Y48 HydrophobicContact CG-CE2 3.69Å; K44-Y48 PolarHBondContact O-N 2.91Å; K44-Y48 VanDerWaalsContact O-N 3.07Å; K45-Y48 PolarHBondContact O-N 3.48Å; L46-Y48 PolarHBondContact O-N 3.08Å; Y48-Y50 VanDerWaalsContact C-N 3.33Å; Y48-Y50 PolarHBondContact O-N 2.82Å; Y48-L51 HydrophobicContact CD1-CD1 4.42Å; Y48-L51 PolarHBondContact O-N 3.5Å; Y48-E52 WeakPolarHBondContact O-CB 3.31Å; Y48-E52 PolarHBondContact O-N 2.75Å |
| 49 | Q | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 110 Ų | 110 | 41% | 0.407 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 173.2 | -177.6 | 178.8 | -1.2 | 0 | 0 | 111.6 | K45 L46 L51 E52 E53 | K45-Q49 WeakPolarHBondContact O-CB 3.41Å; K45-Q49 PolarHBondContact O-N 3.37Å; L46-Q49 PolarHBondContact O-N 3.01Å; Q49-L51 PolarHBondContact O-N 3.46Å; Q49-E52 PolarHBondContact O-N 3.48Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.42Å; Q49-E53 PolarHBondContact NE2-OE1 2.98Å; Q49-E53 WeakPolarHBondContact O-CB 3.46Å; Q49-E53 WeakPolarHBondContact O-CG 3.33Å; Q49-E53 PolarHBondContact O-N 3.15Å |
| 50 | Y | 98.6 | Very high | 98.5 | Very high | 138 Ų | 138 | 113.5 Ų | 113.5 | 54% | 0.541 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 177.1 | 173.5 | -110.1 | 0 | 0 | 0 | 112.8 | L46 Y48 E53 L54 | L46-Y50 PolarHBondContact O-N 3.42Å; Y48-Y50 VanDerWaalsContact C-N 3.33Å; Y48-Y50 PolarHBondContact O-N 2.82Å; Y50-E53 PolarHBondContact O-N 3.36Å; Y50-L54 HydrophobicContact CD1-CD1 4.01Å; Y50-L54 HydrophobicContact CD2-CG 4.39Å; Y50-L54 HydrophobicContact CE1-CD1 3.37Å; Y50-L54 HydrophobicContact CE1-CG 4.11Å; Y50-L54 HydrophobicContact CE2-CD1 4.09Å; Y50-L54 HydrophobicContact CE2-CD2 4.2Å; Y50-L54 HydrophobicContact CE2-CG 3.95Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.42Å; Y50-L54 WeakPolarHBondContact O-CB 3.32Å; Y50-L54 WeakPolarHBondContact O-CG 3.3Å; Y50-L54 PolarHBondContact O-N 3.48Å |
| 51 | L | 98.7 | Very high | 98.5 | Very high | 79 Ų | 79 | 112.5 Ų | 112.5 | 41% | 0.414 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.7 | -71.1 | 172.4 | 0 | 0 | 0 | 111.7 | R47 Y48 Q49 L54 V55 | R47-L51 HydrophobicContact CG-CD1 4.3Å; R47-L51 WeakPolarHBondContact O-CG 3.39Å; R47-L51 PolarHBondContact O-N 2.87Å; R47-L51 VanDerWaalsContact O-N 3.13Å; Y48-L51 HydrophobicContact CD1-CD1 4.42Å; Y48-L51 PolarHBondContact O-N 3.5Å; Q49-L51 PolarHBondContact O-N 3.46Å; L51-L54 PolarHBondContact O-N 3.39Å; L51-V55 VanDerWaalsContact O-CG2 3.32Å; L51-V55 WeakPolarHBondContact O-CG2 3.48Å; L51-V55 PolarHBondContact O-N 2.85Å |
| 52 | E | 98.5 | Very high | 98.5 | Very high | 132 Ų | 132 | 107.4 Ų | 107.4 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 175.9 | -176.9 | 175.1 | -165.9 | 0 | 0 | 111.4 | Y48 Q49 L54 V55 S56 | Y48-E52 WeakPolarHBondContact O-CB 3.31Å; Y48-E52 PolarHBondContact O-N 2.75Å; Q49-E52 PolarHBondContact O-N 3.48Å; E52-L54 PolarHBondContact O-N 2.96Å; E52-V55 PolarHBondContact O-N 3.29Å; E52-S56 VanDerWaalsContact O-CB 3.24Å; E52-S56 WeakPolarHBondContact O-CB 3.13Å; E52-S56 PolarHBondContact O-N 3.02Å; E52-S56 PolarHBondContact O-OG 3.07Å |
| 53 | E | 98.2 | Very high | 98.5 | Very high | 106 Ų | 106 | 107.7 Ų | 107.7 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.6 | -74.2 | 172 | -168.3 | 0 | 0 | 111.9 | Q49 Y50 S57 | Q49-E53 WeakPolarHBondContact CG-OE1 3.42Å; Q49-E53 PolarHBondContact NE2-OE1 2.98Å; Q49-E53 WeakPolarHBondContact O-CB 3.46Å; Q49-E53 WeakPolarHBondContact O-CG 3.33Å; Q49-E53 PolarHBondContact O-N 3.15Å; Y50-E53 PolarHBondContact O-N 3.36Å; E53-S57 VanDerWaalsContact O-CB 3.23Å; E53-S57 WeakPolarHBondContact O-CB 3.23Å; E53-S57 PolarHBondContact O-N 3.16Å |
| 54 | L | 98.4 | Very high | 98.5 | Very high | 65 Ų | 65 | 102.5 Ų | 102.5 | 34% | 0.34 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -47 | 175.6 | -80.1 | -179.1 | 0 | 0 | 0 | 112.5 | Y50 L51 E52 K58 | Y50-L54 HydrophobicContact CD1-CD1 4.01Å; Y50-L54 HydrophobicContact CD2-CG 4.39Å; Y50-L54 HydrophobicContact CE1-CD1 3.37Å; Y50-L54 HydrophobicContact CE1-CG 4.11Å; Y50-L54 HydrophobicContact CE2-CD1 4.09Å; Y50-L54 HydrophobicContact CE2-CD2 4.2Å; Y50-L54 HydrophobicContact CE2-CG 3.95Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.42Å; Y50-L54 WeakPolarHBondContact O-CB 3.32Å; Y50-L54 WeakPolarHBondContact O-CG 3.3Å; Y50-L54 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 3.39Å; E52-L54 PolarHBondContact O-N 2.96Å; L54-K58 WeakPolarHBondContact O-CG 3.24Å; L54-K58 PolarHBondContact O-N 2.94Å; L54-K58 VanDerWaalsContact O-N 3.16Å |
| 55 | V | 98.7 | Very high | 98.4 | Very high | 76 Ų | 76 | 102.1 Ų | 102.1 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -50.4 | 179.6 | 171 | 0 | 0 | 0 | 0 | 109.8 | L51 E52 S57 K58 E59 | L51-V55 VanDerWaalsContact O-CG2 3.32Å; L51-V55 WeakPolarHBondContact O-CG2 3.48Å; L51-V55 PolarHBondContact O-N 2.85Å; E52-V55 PolarHBondContact O-N 3.29Å; V55-S57 VanDerWaalsContact C-N 3.26Å; V55-S57 PolarHBondContact O-N 3.24Å; V55-K58 PolarHBondContact O-N 3.1Å; V55-K58 VanDerWaalsContact O-N 3.07Å; V55-E59 HydrophobicContact CG1-CG 4.25Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.32Å; V55-E59 WeakPolarHBondContact O-CG 3.37Å; V55-E59 PolarHBondContact O-N 2.74Å |
| 56 | S | 98.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 103.2 Ų | 103.2 | 31% | 0.308 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.1 | -38 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | E52 R60 | E52-S56 VanDerWaalsContact O-CB 3.24Å; E52-S56 WeakPolarHBondContact O-CB 3.13Å; E52-S56 PolarHBondContact O-N 3.02Å; E52-S56 PolarHBondContact O-OG 3.07Å; S56-R60 PolarHBondContact O-N 2.85Å; S56-R60 VanDerWaalsContact O-N 3.1Å; S56-R60 PolarHBondContact O-NE 3.07Å |
| 57 | S | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 104.3 Ų | 104.3 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | E53 V55 R60 A61 | E53-S57 VanDerWaalsContact O-CB 3.23Å; E53-S57 WeakPolarHBondContact O-CB 3.23Å; E53-S57 PolarHBondContact O-N 3.16Å; V55-S57 VanDerWaalsContact C-N 3.26Å; V55-S57 PolarHBondContact O-N 3.24Å; S57-R60 PolarHBondContact O-N 3.36Å; S57-A61 PolarHBondContact O-N 3.36Å; S57-A61 VanDerWaalsContact O-N 3.11Å |
| 58 | K | 98.5 | Very high | 98.1 | Very high | 140 Ų | 140 | 99.9 Ų | 99.9 | 61% | 0.609 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.7 | -43.4 | 177.3 | -71.8 | 178.8 | 179.4 | -173.2 | 0 | 111.9 | L54 V55 R60 A61 I62 | L54-K58 WeakPolarHBondContact O-CG 3.24Å; L54-K58 PolarHBondContact O-N 2.94Å; L54-K58 VanDerWaalsContact O-N 3.16Å; V55-K58 PolarHBondContact O-N 3.1Å; V55-K58 VanDerWaalsContact O-N 3.07Å; K58-R60 PolarHBondContact O-N 3.11Å; K58-A61 PolarHBondContact O-N 3.49Å; K58-I62 VanDerWaalsContact O-CG1 3.3Å; K58-I62 WeakPolarHBondContact O-CG1 3.34Å; K58-I62 PolarHBondContact O-N 3.2Å |
| 59 | E | 98.6 | Very high | 98 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 177.6 | -72.4 | 173.9 | 169 | 0 | 0 | 111.4 | V55 A61 I62 C63 | V55-E59 HydrophobicContact CG1-CG 4.25Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.32Å; V55-E59 WeakPolarHBondContact O-CG 3.37Å; V55-E59 PolarHBondContact O-N 2.74Å; E59-A61 VanDerWaalsContact C-N 3.33Å; E59-A61 PolarHBondContact O-N 3.31Å; E59-I62 PolarHBondContact O-N 3.13Å; E59-C63 PolarHBondContact O-N 3.42Å; E59-C63 PolarHBondContact O-SG 3.49Å; E59-C63 VanDerWaalsContact O-SG 3.34Å |
| 60 | R | 98.3 | Very high | 97.8 | Very high | 161 Ų | 161 | 98.7 Ų | 98.7 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.5 | -43.2 | 174.3 | -80.9 | -174.1 | -80.9 | 99.8 | -3.6 | 112.7 | S56 S57 K58 I62 C63 A64 | S56-R60 PolarHBondContact O-N 2.85Å; S56-R60 VanDerWaalsContact O-N 3.1Å; S56-R60 PolarHBondContact O-NE 3.07Å; S57-R60 PolarHBondContact O-N 3.36Å; K58-R60 PolarHBondContact O-N 3.11Å; R60-I62 VanDerWaalsContact C-N 3.35Å; R60-C63 PolarHBondContact O-N 2.98Å; R60-A64 PolarHBondContact O-N 3.27Å |
| 61 | A | 98.3 | Very high | 97.6 | Very high | 52 Ų | 52 | 95.1 Ų | 95.1 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S57 K58 E59 A64 L65 | S57-A61 PolarHBondContact O-N 3.36Å; S57-A61 VanDerWaalsContact O-N 3.11Å; K58-A61 PolarHBondContact O-N 3.49Å; E59-A61 VanDerWaalsContact C-N 3.33Å; E59-A61 PolarHBondContact O-N 3.31Å; A61-A64 PolarHBondContact O-N 3.41Å; A61-L65 VanDerWaalsContact O-CG 3.31Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 2.92Å |
| 62 | I | 98.3 | Very high | 97.2 | Very high | 87 Ų | 87 | 96.7 Ų | 96.7 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.6 | -69.7 | 164.9 | 0 | 0 | 0 | 110.9 | K58 E59 R60 L65 R66 | K58-I62 VanDerWaalsContact O-CG1 3.3Å; K58-I62 WeakPolarHBondContact O-CG1 3.34Å; K58-I62 PolarHBondContact O-N 3.2Å; E59-I62 PolarHBondContact O-N 3.13Å; R60-I62 VanDerWaalsContact C-N 3.35Å; I62-L65 PolarHBondContact O-N 3.43Å; I62-R66 HydrophobicContact CG2-CG 4.42Å; I62-R66 WeakPolarHBondContact O-CB 3.34Å; I62-R66 VanDerWaalsContact O-CG 3.28Å; I62-R66 WeakPolarHBondContact O-CG 3.37Å; I62-R66 PolarHBondContact O-N 3.46Å |
| 63 | C | 98.2 | Very high | 97 | Very high | 67 Ų | 67 | 95.6 Ų | 95.6 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.5 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | E59 R60 L65 R66 E67 | E59-C63 PolarHBondContact O-N 3.42Å; E59-C63 PolarHBondContact O-SG 3.49Å; E59-C63 VanDerWaalsContact O-SG 3.34Å; R60-C63 PolarHBondContact O-N 2.98Å; C63-L65 PolarHBondContact O-N 3.43Å; C63-R66 WeakPolarHBondContact O-CB 3.46Å; C63-R66 PolarHBondContact O-N 2.93Å; C63-R66 VanDerWaalsContact O-N 3.13Å; C63-E67 WeakPolarHBondContact O-CG 3.44Å; C63-E67 PolarHBondContact O-N 3.29Å |
| 64 | A | 97.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 96.1 Ų | 96.1 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R60 A61 R66 E67 E68 | R60-A64 PolarHBondContact O-N 3.27Å; A61-A64 PolarHBondContact O-N 3.41Å; A64-R66 VanDerWaalsContact C-N 3.31Å; A64-R66 PolarHBondContact O-N 2.89Å; A64-E67 PolarHBondContact O-N 2.68Å; A64-E68 WeakPolarHBondContact O-CB 3.4Å; A64-E68 PolarHBondContact O-N 3.15Å |
| 65 | L | 97.8 | Very high | 96.2 | Very high | 109 Ų | 109 | 94.7 Ų | 94.7 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.4 | -34.5 | 177.6 | -70.2 | 172.8 | 0 | 0 | 0 | 112.6 | A61 I62 C63 L69 | A61-L65 VanDerWaalsContact O-CG 3.31Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 2.92Å; I62-L65 PolarHBondContact O-N 3.43Å; C63-L65 PolarHBondContact O-N 3.43Å; L65-L69 VanDerWaalsContact O-CB 3.3Å; L65-L69 WeakPolarHBondContact O-CB 3.5Å; L65-L69 PolarHBondContact O-N 3.4Å |
| 66 | R | 97.7 | Very high | 95.8 | Very high | 180 Ų | 180 | 94.5 Ų | 94.5 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.5 | -41.9 | 176 | -76.4 | 174.6 | 176.9 | -87.7 | 0.1 | 111.7 | I62 C63 A64 L69 E70 | I62-R66 HydrophobicContact CG2-CG 4.42Å; I62-R66 WeakPolarHBondContact O-CB 3.34Å; I62-R66 VanDerWaalsContact O-CG 3.28Å; I62-R66 WeakPolarHBondContact O-CG 3.37Å; I62-R66 PolarHBondContact O-N 3.46Å; C63-R66 WeakPolarHBondContact O-CB 3.46Å; C63-R66 PolarHBondContact O-N 2.93Å; C63-R66 VanDerWaalsContact O-N 3.13Å; A64-R66 VanDerWaalsContact C-N 3.31Å; A64-R66 PolarHBondContact O-N 2.89Å; R66-L69 PolarHBondContact O-N 2.77Å; R66-E70 WeakPolarHBondContact O-CB 3.26Å; R66-E70 PolarHBondContact O-N 2.93Å |
| 67 | E | 96.4 | Very high | 95.4 | Very high | 138 Ų | 138 | 95.3 Ų | 95.3 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 175.9 | -71.8 | 167.7 | -168.9 | 0 | 0 | 111.1 | C63 A64 E70 M71 | C63-E67 WeakPolarHBondContact O-CG 3.44Å; C63-E67 PolarHBondContact O-N 3.29Å; A64-E67 PolarHBondContact O-N 2.68Å; E67-E70 PolarHBondContact O-N 3.27Å; E67-M71 WeakPolarHBondContact O-CB 3.47Å; E67-M71 PolarHBondContact O-N 2.98Å |
| 68 | E | 94.6 | Very high | 94.9 | Very high | 86 Ų | 86 | 93.7 Ų | 93.7 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.6 | -177.5 | 177.3 | -160.7 | 0 | 0 | 112.1 | A64 E70 M71 Y72 | A64-E68 WeakPolarHBondContact O-CB 3.4Å; A64-E68 PolarHBondContact O-N 3.15Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.49Å; E68-M71 HydrophobicContact CG-CE 4.46Å; E68-M71 WeakPolarHBondContact O-CB 3.27Å; E68-M71 PolarHBondContact O-N 3.48Å; E68-Y72 HydrophobicContact CG-CD2 4.07Å; E68-Y72 HydrophobicContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact O-CD2 3.22Å; E68-Y72 WeakPolarHBondContact O-CD2 3.36Å; E68-Y72 PolarHBondContact O-N 2.92Å; E68-Y72 PolarHBondContact OE1-OH 3.44Å |
| 69 | L | 96.6 | Very high | 94.4 | Very high | 106 Ų | 106 | 91.9 Ų | 91.9 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 177.6 | -168.7 | 153.4 | 0 | 0 | 0 | 111.6 | L65 R66 Y72 K73 | L65-L69 VanDerWaalsContact O-CB 3.3Å; L65-L69 WeakPolarHBondContact O-CB 3.5Å; L65-L69 PolarHBondContact O-N 3.4Å; R66-L69 PolarHBondContact O-N 2.77Å; L69-Y72 PolarHBondContact O-N 3.5Å; L69-K73 HydrophobicContact CD2-CD 3.5Å; L69-K73 VanDerWaalsContact CD2-CD 3.5Å; L69-K73 HydrophobicContact CD2-CG 4.1Å; L69-K73 WeakPolarHBondContact O-CG 3.34Å; L69-K73 PolarHBondContact O-N 2.87Å |
| 70 | E | 95.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 93.2 Ų | 93.2 | 38% | 0.383 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 177.7 | -169.8 | 56.5 | -147.5 | 0 | 0 | 111.7 | R66 E67 E68 Y72 K73 Q74 | R66-E70 WeakPolarHBondContact O-CB 3.26Å; R66-E70 PolarHBondContact O-N 2.93Å; E67-E70 PolarHBondContact O-N 3.27Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.49Å; E70-Y72 PolarHBondContact O-N 3.17Å; E70-K73 PolarHBondContact O-N 2.98Å; E70-K73 IonicContact OE1-NZ 3.84Å; E70-K73 IonicContact OE2-NZ 2.76Å; E70-K73 PolarHBondContact OE2-NZ 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.48Å; E70-Q74 PolarHBondContact O-N 3.48Å |
| 71 | M | 92.6 | Very high | 93.6 | Very high | 63 Ų | 63 | 91.9 Ų | 91.9 | 31% | 0.31 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 170.8 | 178.2 | -165.4 | 72.6 | 0 | 0 | 111.2 | E67 E68 K73 Q74 W75 | E67-M71 WeakPolarHBondContact O-CB 3.47Å; E67-M71 PolarHBondContact O-N 2.98Å; E68-M71 HydrophobicContact CG-CE 4.46Å; E68-M71 WeakPolarHBondContact O-CB 3.27Å; E68-M71 PolarHBondContact O-N 3.48Å; M71-K73 PolarHBondContact O-N 3.4Å; M71-Q74 PolarHBondContact O-N 3.01Å; M71-W75 HydrophobicContact CE-CH2 3.76Å; M71-W75 HydrophobicContact CE-CZ2 3.93Å; M71-W75 HydrophobicContact CE-CZ3 4.12Å; M71-W75 HydrophobicContact CG-CD2 4.32Å; M71-W75 HydrophobicContact CG-CZ2 3.79Å; M71-W75 PolarHBondContact O-N 3.29Å; M71-W75 HydrophobicContact SD-CH2 3.94Å; M71-W75 HydrophobicContact SD-CZ2 3.52Å; M71-W75 VanDerWaalsContact SD-CZ2 3.52Å |
| 72 | Y | 91.4 | Very high | 92.8 | Very high | 112 Ų | 112 | 92.6 Ų | 92.6 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 178 | -69 | -46.8 | 0 | 0 | 0 | 113 | E68 L69 E70 Q74 W75 C76 | E68-Y72 HydrophobicContact CG-CD2 4.07Å; E68-Y72 HydrophobicContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact O-CD2 3.22Å; E68-Y72 WeakPolarHBondContact O-CD2 3.36Å; E68-Y72 PolarHBondContact O-N 2.92Å; E68-Y72 PolarHBondContact OE1-OH 3.44Å; L69-Y72 PolarHBondContact O-N 3.5Å; E70-Y72 PolarHBondContact O-N 3.17Å; Y72-Q74 VanDerWaalsContact C-N 3.33Å; Y72-Q74 PolarHBondContact O-N 3.45Å; Y72-W75 AromaticContact CD1-CE3 3.77Å; Y72-W75 HydrophobicContact CD1-CE3 3.77Å; Y72-W75 AromaticContact CD1-CZ3 3.98Å; Y72-W75 HydrophobicContact CD1-CZ3 3.98Å; Y72-W75 HydrophobicContact CE1-CE3 4.05Å; Y72-W75 AromaticContact CE1-CZ3 3.76Å; Y72-W75 HydrophobicContact CE1-CZ3 3.76Å; Y72-W75 WeakPolarHBondContact O-CB 3.35Å; Y72-W75 PolarHBondContact O-N 2.99Å; Y72-C76 PolarHBondContact O-N 3.25Å; Y72-C76 PolarHBondContact O-SG 2.89Å; Y72-C76 VanDerWaalsContact O-SG 3.38Å |
| 73 | K | 93.6 | Very high | 92.1 | Very high | 109 Ų | 109 | 94.9 Ų | 94.9 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.7 | -76.8 | 172.1 | 63.3 | -148.3 | 0 | 112.3 | L69 E70 M71 W75 C76 S77 | L69-K73 HydrophobicContact CD2-CD 3.5Å; L69-K73 VanDerWaalsContact CD2-CD 3.5Å; L69-K73 HydrophobicContact CD2-CG 4.1Å; L69-K73 WeakPolarHBondContact O-CG 3.34Å; L69-K73 PolarHBondContact O-N 2.87Å; E70-K73 PolarHBondContact O-N 2.98Å; E70-K73 IonicContact OE1-NZ 3.84Å; E70-K73 IonicContact OE2-NZ 2.76Å; E70-K73 PolarHBondContact OE2-NZ 3.31Å; M71-K73 PolarHBondContact O-N 3.4Å; K73-W75 VanDerWaalsContact C-N 3.33Å; K73-C76 PolarHBondContact O-N 2.93Å; K73-S77 PolarHBondContact O-N 3.41Å; K73-S77 PolarHBondContact O-OG 2.96Å |
| 74 | Q | 91.2 | Very high | 91.2 | Very high | 117 Ų | 117 | 96.5 Ų | 96.5 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 176.2 | -70.9 | 172.7 | 21.8 | 0 | 0 | 111.2 | E70 M71 Y72 S77 A78 | E70-Q74 WeakPolarHBondContact O-CG 3.48Å; E70-Q74 PolarHBondContact O-N 3.48Å; M71-Q74 PolarHBondContact O-N 3.01Å; Y72-Q74 VanDerWaalsContact C-N 3.33Å; Y72-Q74 PolarHBondContact O-N 3.45Å; Q74-S77 PolarHBondContact O-N 3.31Å; Q74-A78 WeakPolarHBondContact O-CB 3.48Å; Q74-A78 PolarHBondContact O-N 3.28Å |
| 75 | W | 89.3 | Confident | 90.3 | Very high | 36 Ų | 36 | 94.8 Ų | 94.8 | 14% | 0.136 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.7 | -71.3 | 2.5 | 0 | 0 | 0 | 112.8 | M71 Y72 K73 S77 A78 M79 P85 E87 I88 L91 | M71-W75 HydrophobicContact CE-CH2 3.76Å; M71-W75 HydrophobicContact CE-CZ2 3.93Å; M71-W75 HydrophobicContact CE-CZ3 4.12Å; M71-W75 HydrophobicContact CG-CD2 4.32Å; M71-W75 HydrophobicContact CG-CZ2 3.79Å; M71-W75 PolarHBondContact O-N 3.29Å; M71-W75 HydrophobicContact SD-CH2 3.94Å; M71-W75 HydrophobicContact SD-CZ2 3.52Å; M71-W75 VanDerWaalsContact SD-CZ2 3.52Å; Y72-W75 AromaticContact CD1-CE3 3.77Å; Y72-W75 HydrophobicContact CD1-CE3 3.77Å; Y72-W75 AromaticContact CD1-CZ3 3.98Å; Y72-W75 HydrophobicContact CD1-CZ3 3.98Å; Y72-W75 HydrophobicContact CE1-CE3 4.05Å; Y72-W75 AromaticContact CE1-CZ3 3.76Å; Y72-W75 HydrophobicContact CE1-CZ3 3.76Å; Y72-W75 WeakPolarHBondContact O-CB 3.35Å; Y72-W75 PolarHBondContact O-N 2.99Å; K73-W75 VanDerWaalsContact C-N 3.33Å; W75-S77 VanDerWaalsContact C-N 3.31Å; W75-S77 PolarHBondContact O-N 3.06Å; W75-A78 PolarHBondContact O-N 3.22Å; W75-M79 WeakPolarHBondContact O-CB 3.42Å; W75-M79 VanDerWaalsContact O-CG 3.3Å; W75-M79 WeakPolarHBondContact O-CG 3.43Å; W75-M79 PolarHBondContact O-N 2.72Å; W75-P85 HydrophobicContact CB-CG 4.17Å; W75-P85 HydrophobicContact CG-CB 4.31Å; W75-P85 HydrophobicContact CG-CG 4.08Å; W75-E87 HydrophobicContact CH2-CB 3.86Å; W75-E87 HydrophobicContact CZ2-CB 3.25Å; W75-E87 HydrophobicContact CZ2-CG 3.92Å; W75-I88 HydrophobicContact CB-CD1 3.77Å; W75-I88 HydrophobicContact CD2-CD1 3.72Å; W75-I88 HydrophobicContact CD2-CG1 3.8Å; W75-I88 HydrophobicContact CE3-CD1 3.5Å; W75-I88 VanDerWaalsContact CE3-CD1 3.5Å; W75-I88 HydrophobicContact CE3-CG1 3.4Å; W75-I88 VanDerWaalsContact CE3-CG1 3.4Å; W75-I88 HydrophobicContact CG-CD1 3.87Å; W75-I88 HydrophobicContact CG-CG1 4.41Å; W75-I88 HydrophobicContact CH2-CG1 4.35Å; W75-I88 HydrophobicContact CZ3-CD1 4.29Å; W75-I88 HydrophobicContact CZ3-CG1 3.69Å; W75-L91 HydrophobicContact CH2-CD1 4.13Å; W75-L91 HydrophobicContact CZ3-CD1 4.26Å |
| 76 | C | 90.2 | Very high | 89.2 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 173.8 | -67.8 | 0 | 0 | 0 | 0 | 110.8 | Y72 K73 A78 M79 D80 | Y72-C76 PolarHBondContact O-N 3.25Å; Y72-C76 PolarHBondContact O-SG 2.89Å; Y72-C76 VanDerWaalsContact O-SG 3.38Å; K73-C76 PolarHBondContact O-N 2.93Å; C76-A78 VanDerWaalsContact C-N 3.3Å; C76-A78 PolarHBondContact O-N 3.42Å; C76-M79 PolarHBondContact O-N 3.06Å; C76-D80 PolarHBondContact O-N 3.3Å |
| 77 | S | 89.5 | Confident | 88 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 43% | 0.427 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | K73 Q74 W75 Q81 | K73-S77 PolarHBondContact O-N 3.41Å; K73-S77 PolarHBondContact O-OG 2.96Å; Q74-S77 PolarHBondContact O-N 3.31Å; W75-S77 VanDerWaalsContact C-N 3.31Å; W75-S77 PolarHBondContact O-N 3.06Å; S77-Q81 VanDerWaalsContact O-CG 3.27Å; S77-Q81 WeakPolarHBondContact O-CG 3.39Å; S77-Q81 PolarHBondContact O-N 3.11Å; S77-Q81 PolarHBondContact O-NE2 3.22Å |
| 78 | A | 87.8 | Confident | 86.9 | Confident | 24 Ų | 24 | 84.5 Ų | 84.5 | 20% | 0.198 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q74 W75 C76 D80 Q81 G82 K83 P85 | Q74-A78 WeakPolarHBondContact O-CB 3.48Å; Q74-A78 PolarHBondContact O-N 3.28Å; W75-A78 PolarHBondContact O-N 3.22Å; C76-A78 VanDerWaalsContact C-N 3.3Å; C76-A78 PolarHBondContact O-N 3.42Å; A78-D80 VanDerWaalsContact C-N 3.35Å; A78-Q81 CarbonylContact O-C 3.13Å; A78-Q81 WeakPolarHBondContact O-CA 3.48Å; A78-Q81 WeakPolarHBondContact O-CB 3.42Å; A78-Q81 PolarHBondContact O-N 2.94Å; A78-Q81 VanDerWaalsContact O-N 3.12Å; A78-G82 PolarHBondContact O-N 3.34Å; A78-K83 CarbonylContact C-O 3.52Å; A78-K83 PolarHBondContact O-N 3.5Å; A78-P85 HydrophobicContact CB-CG 3.82Å |
| 79 | M | 88.3 | Confident | 85.8 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 51% | 0.507 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.6 | -74.3 | 177.5 | 57.5 | 0 | 0 | 111.7 | W75 C76 Q81 G82 K83 I88 | W75-M79 WeakPolarHBondContact O-CB 3.42Å; W75-M79 VanDerWaalsContact O-CG 3.3Å; W75-M79 WeakPolarHBondContact O-CG 3.43Å; W75-M79 PolarHBondContact O-N 2.72Å; C76-M79 PolarHBondContact O-N 3.06Å; M79-Q81 PolarHBondContact O-N 2.88Å; M79-G82 WeakPolarHBondContact O-CA 3.48Å; M79-G82 PolarHBondContact O-N 3.08Å; M79-K83 PolarHBondContact N-O 3.36Å; M79-I88 HydrophobicContact CG-CD1 4.4Å; M79-I88 HydrophobicContact SD-CD1 3.7Å |
| 80 | D | 89.3 | Confident | 84.7 | Confident | 141 Ų | 141 | 82.5 Ų | 82.5 | 75% | 0.754 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62 | -27.6 | 175.3 | -67.2 | -22.9 | 0 | 0 | 0 | 112 | C76 A78 G82 | C76-D80 PolarHBondContact O-N 3.3Å; A78-D80 VanDerWaalsContact C-N 3.35Å; D80-G82 VanDerWaalsContact C-N 3.26Å; D80-G82 PolarHBondContact O-N 2.97Å |
| 81 | Q | 90 | Very high | 83.5 | Confident | 132 Ų | 132 | 83.9 Ų | 83.9 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 6.9 | 173.1 | -66 | 170.3 | 24.9 | 0 | 0 | 113.5 | S77 A78 M79 K83 | S77-Q81 VanDerWaalsContact O-CG 3.27Å; S77-Q81 WeakPolarHBondContact O-CG 3.39Å; S77-Q81 PolarHBondContact O-N 3.11Å; S77-Q81 PolarHBondContact O-NE2 3.22Å; A78-Q81 CarbonylContact O-C 3.13Å; A78-Q81 WeakPolarHBondContact O-CA 3.48Å; A78-Q81 WeakPolarHBondContact O-CB 3.42Å; A78-Q81 PolarHBondContact O-N 2.94Å; A78-Q81 VanDerWaalsContact O-N 3.12Å; M79-Q81 PolarHBondContact O-N 2.88Å; Q81-K83 VanDerWaalsContact C-N 3.26Å; Q81-K83 PolarHBondContact O-N 3.42Å |
| 82 | G | 82.6 | Confident | 82.4 | Confident | 67 Ų | 67 | 87.8 Ų | 87.8 | 69% | 0.691 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 10.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | A78 M79 D80 | A78-G82 PolarHBondContact O-N 3.34Å; M79-G82 WeakPolarHBondContact O-CA 3.48Å; M79-G82 PolarHBondContact O-N 3.08Å; D80-G82 VanDerWaalsContact C-N 3.26Å; D80-G82 PolarHBondContact O-N 2.97Å |
| 83 | K | 82.6 | Confident | 81.6 | Confident | 135 Ų | 135 | 87.3 Ų | 87.3 | 59% | 0.587 | 48% | 0.476 | S | S | * | . | trans | -101.3 | 113.1 | 176.7 | -64.4 | 175.5 | -174.7 | 167.9 | 0 | 108.7 | A78 M79 Q81 P85 | A78-K83 CarbonylContact C-O 3.52Å; A78-K83 PolarHBondContact O-N 3.5Å; M79-K83 PolarHBondContact N-O 3.36Å; Q81-K83 VanDerWaalsContact C-N 3.26Å; Q81-K83 PolarHBondContact O-N 3.42Å; K83-P85 WeakPolarHBondContact O-CD 3.32Å | ||
| 84 | I | 79.2 | Confident | 80 | Confident | 101 Ų | 101 | 85 Ų | 85 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | trans | -76.5 | 116.3 | 172.4 | -54.3 | 171.3 | 0 | 0 | 0 | 108.2 | I88 K89 | I84-I88 HydrophobicContact CG2-CB 4.4Å; I84-I88 HydrophobicContact CG2-CG2 4.1Å; I84-K89 HydrophobicContact CB-CG 4.24Å; I84-K89 HydrophobicContact CG2-CD 4.39Å; I84-K89 HydrophobicContact CG2-CG 3.55Å; I84-K89 WeakPolarHBondContact O-CE 3.39Å | ||
| 85 | P | 80.8 | Confident | 78.2 | Confident | 17 Ų | 17 | 84.6 Ų | 84.6 | 11% | 0.11 | 49% | 0.485 | C | S | . | . | trans | -57.9 | 143.9 | 176.5 | -24.9 | 36.8 | 0 | 0 | 0 | 112.2 | W75 A78 K83 E87 I88 K89 | W75-P85 HydrophobicContact CB-CG 4.17Å; W75-P85 HydrophobicContact CG-CB 4.31Å; W75-P85 HydrophobicContact CG-CG 4.08Å; A78-P85 HydrophobicContact CB-CG 3.82Å; K83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-E87 PolarHBondContact O-N 3.35Å; P85-I88 HydrophobicContact CB-CD1 4.38Å; P85-I88 HydrophobicContact CG-CD1 4.02Å; P85-I88 PolarHBondContact O-N 3.12Å; P85-K89 PolarHBondContact O-N 3.44Å | ||
| 86 | S | 73.1 | Confident | 76.3 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.3 | -37 | -178.7 | 25.9 | 0 | 0 | 0 | 0 | 113.4 | K89 A90 | S86-K89 WeakPolarHBondContact O-CB 3.37Å; S86-K89 PolarHBondContact O-N 2.86Å; S86-A90 PolarHBondContact O-N 2.96Å |
| 87 | E | 72.8 | Confident | 74.3 | Confident | 101 Ų | 101 | 97.3 Ų | 97.3 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70 | -39.6 | -178.7 | -68.8 | 73.9 | -171.4 | 0 | 0 | 111.1 | W75 P85 A90 L91 | W75-E87 HydrophobicContact CH2-CB 3.86Å; W75-E87 HydrophobicContact CZ2-CB 3.25Å; W75-E87 HydrophobicContact CZ2-CG 3.92Å; P85-E87 PolarHBondContact O-N 3.35Å; E87-A90 PolarHBondContact O-N 3.42Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 3.29Å |
| 88 | I | 73.5 | Confident | 72 | Confident | 29 Ų | 29 | 103.9 Ų | 103.9 | 15% | 0.149 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -67.2 | -39.5 | 172.1 | -70.6 | 170.6 | 0 | 0 | 0 | 110.2 | W75 M79 I84 P85 L91 L92 | W75-I88 HydrophobicContact CB-CD1 3.77Å; W75-I88 HydrophobicContact CD2-CD1 3.72Å; W75-I88 HydrophobicContact CD2-CG1 3.8Å; W75-I88 HydrophobicContact CE3-CD1 3.5Å; W75-I88 VanDerWaalsContact CE3-CD1 3.5Å; W75-I88 HydrophobicContact CE3-CG1 3.4Å; W75-I88 VanDerWaalsContact CE3-CG1 3.4Å; W75-I88 HydrophobicContact CG-CD1 3.87Å; W75-I88 HydrophobicContact CG-CG1 4.41Å; W75-I88 HydrophobicContact CH2-CG1 4.35Å; W75-I88 HydrophobicContact CZ3-CD1 4.29Å; W75-I88 HydrophobicContact CZ3-CG1 3.69Å; M79-I88 HydrophobicContact CG-CD1 4.4Å; M79-I88 HydrophobicContact SD-CD1 3.7Å; I84-I88 HydrophobicContact CG2-CB 4.4Å; I84-I88 HydrophobicContact CG2-CG2 4.1Å; P85-I88 HydrophobicContact CB-CD1 4.38Å; P85-I88 HydrophobicContact CG-CD1 4.02Å; P85-I88 PolarHBondContact O-N 3.12Å; I88-L91 PolarHBondContact O-N 2.96Å; I88-L92 HydrophobicContact CG2-CD1 3.89Å; I88-L92 WeakPolarHBondContact O-CD1 3.49Å; I88-L92 PolarHBondContact O-N 3.35Å |
| 89 | K | 70.8 | Confident | 70.2 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.5 | -48.6 | 174.4 | -69.8 | -175.6 | -175.3 | 175.9 | 0 | 110.9 | I84 P85 S86 L91 L92 T93 | I84-K89 HydrophobicContact CB-CG 4.24Å; I84-K89 HydrophobicContact CG2-CD 4.39Å; I84-K89 HydrophobicContact CG2-CG 3.55Å; I84-K89 WeakPolarHBondContact O-CE 3.39Å; P85-K89 PolarHBondContact O-N 3.44Å; S86-K89 WeakPolarHBondContact O-CB 3.37Å; S86-K89 PolarHBondContact O-N 2.86Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.17Å; K89-L92 PolarHBondContact O-N 3.49Å; K89-L92 VanDerWaalsContact O-N 3.08Å; K89-T93 PolarHBondContact O-N 2.94Å; K89-T93 PolarHBondContact O-OG1 2.97Å |
| 90 | A | 75.3 | Confident | 68 | Low | 38 Ų | 38 | 109.5 Ų | 109.5 | 31% | 0.314 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.8 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S86 E87 L92 T93 G94 | S86-A90 PolarHBondContact O-N 2.96Å; E87-A90 PolarHBondContact O-N 3.42Å; A90-L92 VanDerWaalsContact C-N 3.33Å; A90-L92 PolarHBondContact O-N 3.06Å; A90-T93 PolarHBondContact O-N 2.84Å; A90-G94 PolarHBondContact O-N 2.92Å |
| 91 | L | 69.4 | Low | 66 | Low | 111 Ų | 111 | 110.9 Ų | 110.9 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.7 | -34.1 | 174 | -72.8 | 169.5 | 0 | 0 | 0 | 112.8 | W75 E87 I88 K89 | W75-L91 HydrophobicContact CH2-CD1 4.13Å; W75-L91 HydrophobicContact CZ3-CD1 4.26Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 3.29Å; I88-L91 PolarHBondContact O-N 2.96Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.17Å |
| 92 | L | 69.5 | Low | 63.8 | Low | 146 Ų | 146 | 110.4 Ų | 110.4 | 76% | 0.764 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.1 | -35.2 | 177.2 | -103.6 | 81.3 | 0 | 0 | 0 | 113.5 | I88 K89 A90 G94 | I88-L92 HydrophobicContact CG2-CD1 3.89Å; I88-L92 WeakPolarHBondContact O-CD1 3.49Å; I88-L92 PolarHBondContact O-N 3.35Å; K89-L92 PolarHBondContact O-N 3.49Å; K89-L92 VanDerWaalsContact O-N 3.08Å; A90-L92 VanDerWaalsContact C-N 3.33Å; A90-L92 PolarHBondContact O-N 3.06Å; L92-G94 VanDerWaalsContact C-N 3.3Å |
| 93 | T | 74.6 | Confident | 61.8 | Low | 101 Ų | 101 | 112.3 Ų | 112.3 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -82.5 | -3.4 | -179.5 | 37.1 | 0 | 0 | 0 | 0 | 114 | K89 A90 D95 | K89-T93 PolarHBondContact O-N 2.94Å; K89-T93 PolarHBondContact O-OG1 2.97Å; A90-T93 PolarHBondContact O-N 2.84Å; T93-D95 PolarHBondContact O-N 3.18Å |
| 94 | G | 60.2 | Low | 59.8 | Low | 60 Ų | 60 | 110.7 Ų | 110.7 | 62% | 0.619 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.2 | 16.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | A90 L92 E96 | A90-G94 PolarHBondContact O-N 2.92Å; L92-G94 VanDerWaalsContact C-N 3.3Å; G94-E96 VanDerWaalsContact C-N 3.31Å; G94-E96 PolarHBondContact O-N 3.48Å |
| 95 | D | 53 | Low | 57.8 | Low | 110 Ų | 110 | 109.2 Ų | 109.2 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | trans | -73.5 | 91 | 167.4 | -73.4 | -43.2 | 0 | 0 | 0 | 107.5 | T93 Q97 | T93-D95 PolarHBondContact O-N 3.18Å; D95-Q97 PolarHBondContact O-N 2.94Å | ||
| 96 | E | 48.8 | Very low | 55.6 | Low | 197 Ų | 197 | 115 Ų | 115 | 92% | 0.921 | 67% | 0.666 | S | S | * | * | trans | -60.7 | 77.5 | 168.6 | -88.3 | -158 | 90.8 | 0 | 0 | 110.4 | G94 | G94-E96 VanDerWaalsContact C-N 3.31Å; G94-E96 PolarHBondContact O-N 3.48Å | ||
| 97 | Q | 48.2 | Very low | 54.1 | Low | 177 Ų | 177 | 120.8 Ų | 120.8 | 83% | 0.827 | 68% | 0.681 | S | S | * | * | trans | -102.6 | 96.4 | 162.3 | -68.4 | -164.6 | -16.5 | 0 | 0 | 108 | D95 I99 | D95-Q97 PolarHBondContact O-N 2.94Å; Q97-I99 PolarHBondContact O-N 3.19Å; Q97-I99 VanDerWaalsContact O-N 3.15Å | ||
| 98 | K | 42.9 | Very low | 52.4 | Low | 199 Ų | 199 | 122.3 Ų | 122.3 | 87% | 0.865 | 70% | 0.698 | S | S | * | * | trans | 3.7 | 97.8 | 163.1 | -94 | -175.5 | 170.9 | -175.4 | 0 | 113.3 | P100 | K98-P100 WeakPolarHBondContact O-CD 3.47Š| ||
| 99 | I | 48.5 | Very low | 50.8 | Low | 125 Ų | 125 | 125.8 Ų | 125.8 | 64% | 0.641 | 73% | 0.73 | S | S | * | * | trans | -48.8 | 125.9 | 146.5 | -58.9 | 168.1 | 0 | 0 | 0 | 105.1 | Q97 Q101 | Q97-I99 PolarHBondContact O-N 3.19Å; Q97-I99 VanDerWaalsContact O-N 3.15Å; I99-Q101 PolarHBondContact O-N 3.31Å | ||
| 100 | P | 42.9 | Very low | 49.4 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -67.5 | 83.1 | 176.6 | 26.3 | -31.1 | 0 | 0 | 0 | 108.4 | K98 S102 | K98-P100 WeakPolarHBondContact O-CD 3.47Å; P100-S102 PolarHBondContact O-N 3.07Å | ||
| 101 | Q | 46.6 | Very low | 47.4 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -60.6 | 107.2 | 164.1 | -75.9 | -172.7 | -62.3 | 0 | 0 | 106.4 | I99 S103 | I99-Q101 PolarHBondContact O-N 3.31Å; Q101-S103 PolarHBondContact O-N 2.93Å | ||
| 102 | S | 43.5 | Very low | 45.7 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -65.2 | 78.7 | 163.8 | 57 | 0 | 0 | 0 | 0 | 108.7 | P100 A104 | P100-S102 PolarHBondContact O-N 3.07Å; S102-A104 PolarHBondContact O-N 2.78Å | ||
| 103 | S | 41.3 | Very low | 44.4 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -80.6 | 94.4 | 174.4 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | Q101 G105 | Q101-S103 PolarHBondContact O-N 2.93Å; S103-G105 PolarHBondContact O-N 3.05Å | ||
| 104 | A | 40.7 | Very low | 42.6 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -86.7 | 99.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S102 | S102-A104 PolarHBondContact O-N 2.78Š| ||
| 105 | G | 36.8 | Very low | 41.6 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 134.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S103 | S103-G105 PolarHBondContact O-N 3.05Š| ||
| 106 | T | 35.3 | Very low | 41 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -92.9 | 90.5 | 158.3 | -24.7 | 0 | 0 | 0 | 0 | 107.9 | T108 | T106-T108 PolarHBondContact O-N 3.11Š| ||
| 107 | K | 40.9 | Very low | 40.8 | Very low | 203 Ų | 203 | 137 Ų | 137 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -76.7 | 98.8 | 168 | -73.1 | -174.5 | 178.5 | -179.9 | 0 | 108.7 | A109 | K107-A109 PolarHBondContact O-N 3.48Å; K107-A109 VanDerWaalsContact O-N 3.17Å | ||
| 108 | T | 37.2 | Very low | 40.4 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 95.8 | 160.7 | 45.4 | 0 | 0 | 0 | 0 | 108.7 | T106 K110 | T106-T108 PolarHBondContact O-N 3.11Å; T108-K110 PolarHBondContact O-N 2.79Å | ||
| 109 | A | 39.5 | Very low | 40.5 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -78.5 | 115.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | K107 | K107-A109 PolarHBondContact O-N 3.48Å; K107-A109 VanDerWaalsContact O-N 3.17Å | ||
| 110 | K | 41.7 | Very low | 40.2 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 90% | 0.9 | 84% | 0.844 | S | S | * | * | trans | -94.6 | 123.5 | 165.4 | -158.7 | -179.4 | -165.7 | 176.7 | 0 | 106.1 | T108 | T108-K110 PolarHBondContact O-N 2.79Š| ||
| 111 | N | 33.8 | Very low | 40.1 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | trans | 155.9 | 147 | 136 | -165 | 25.1 | 0 | 0 | 0 | 112 | ||||
| 112 | G | 34.2 | Very low | 39.7 | Very low | 62 Ų | 62 | 130.9 Ų | 130.9 | 64% | 0.639 | 85% | 0.85 | S | S | * | * | trans | 132.5 | 79.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N114 | G112-N114 PolarHBondContact O-N 2.88Š| ||
| 113 | K | 41.5 | Very low | 39.5 | Very low | 208 Ų | 208 | 131.3 Ų | 131.3 | 90% | 0.904 | 85% | 0.85 | S | S | * | * | trans | -45.6 | 134.5 | 152.2 | -84.4 | 168.4 | 168.4 | 169.6 | 0 | 109.8 | ||||
| 114 | N | 36.2 | Very low | 39.4 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 87% | 0.866 | 86% | 0.856 | S | S | * | * | trans | -139.4 | 118.9 | 142.3 | -151.1 | 25.6 | 0 | 0 | 0 | 110.6 | G112 | G112-N114 PolarHBondContact O-N 2.88Š| ||
| 115 | S | 40.1 | Very low | 39.3 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 86% | 0.857 | S | S | * | * | trans | -88 | 155.5 | 170.8 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 116 | S | 41.2 | Very low | 39.5 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 87% | 0.866 | S | S | * | * | trans | 98.1 | 117.3 | 156.6 | 76.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 117 | A | 43.6 | Very low | 39.8 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 87% | 0.868 | S | S | * | * | 77 | 117.4 | 129.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 118 | S | 39.4 | Very low | 39.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 87% | 0.867 | S | S | * | * | 167.7 | 106.8 | 123.4 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 119 | A | 46.1 | Very low | 39.9 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 86% | 0.86 | 87% | 0.871 | S | S | * | * | 69.4 | 100.5 | 82.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 120 | A | 41.7 | Very low | 40 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 100% | 1.488 | 87% | 0.874 | S | S | * | * | trans | 174 | 0 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 120 of 120 residues in 129 ms
(Link to these results)