| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.8 | Very low | 50.8 | Low | 220 Ų | 220 | 132.7 Ų | 132.7 | 100% | 1.084 | 81% | 0.809 | S | S | * | * | 0 | 102.8 | 0 | -70.5 | 165.3 | 79 | 0 | 0 | 110.6 | |||||
| 2 | D | 38.4 | Very low | 51.2 | Low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | cis | -169.7 | 158.7 | -48.1 | -85.4 | -30.6 | 0 | 0 | 0 | 108.6 | ||||
| 3 | G | 48.9 | Very low | 50.4 | Low | 62 Ų | 62 | 126.4 Ų | 126.4 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | cis | -175.9 | 165.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | F | 52.1 | Low | 50.1 | Low | 221 Ų | 221 | 125.9 Ų | 125.9 | 97% | 0.969 | 81% | 0.814 | S | S | * | * | trans | -93.9 | 110.8 | -175.6 | -87.4 | -86.5 | 0 | 0 | 0 | 112.3 | ||||
| 5 | G | 48.9 | Very low | 50.3 | Low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -64.9 | 147.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 6 | S | 54.4 | Low | 50.7 | Low | 88 Ų | 88 | 126.6 Ų | 126.6 | 62% | 0.615 | 81% | 0.814 | S | S | * | * | trans | -96.4 | 114.1 | -173.6 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 7 | D | 55.8 | Low | 51 | Low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -106.3 | 75 | 165.1 | -79 | -52.2 | 0 | 0 | 0 | 110.6 | S9 | D7-S9 PolarHBondContact O-N 3.35Š| ||
| 8 | F | 55.1 | Low | 51.8 | Low | 171 Ų | 171 | 126.1 Ų | 126.1 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 69.4 | 168.1 | 53.9 | -84.9 | 0 | 0 | 0 | 110.2 | S10 | F8-S10 VanDerWaalsContact C-N 3.33Å; F8-S10 PolarHBondContact O-N 3.16Å | ||
| 9 | S | 51.3 | Low | 52.6 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -73 | 90.8 | 171.3 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | D7 G11 | D7-S9 PolarHBondContact O-N 3.35Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.15Å | ||
| 10 | S | 61.3 | Low | 53.3 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -69.6 | 84.4 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | F8 | F8-S10 VanDerWaalsContact C-N 3.33Å; F8-S10 PolarHBondContact O-N 3.16Å | ||
| 11 | G | 47.2 | Very low | 54.1 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -93 | 89.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S9 G13 | S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.15Å; G11-G13 PolarHBondContact O-N 3.12Å | ||
| 12 | A | 54.8 | Low | 55.3 | Low | 111 Ų | 111 | 112.3 Ų | 112.3 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | trans | -70.6 | 125.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 13 | G | 41.3 | Very low | 56.6 | Low | 72 Ų | 72 | 110.9 Ų | 110.9 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | trans | -169.5 | 74.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G11 | G11-G13 PolarHBondContact O-N 3.12Š| ||
| 14 | S | 46.4 | Very low | 57.8 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | 41.4 | 86.2 | 164 | -81.2 | 0 | 0 | 0 | 0 | 117.1 | K16 | S14-K16 VanDerWaalsContact C-N 3.27Å; S14-K16 PolarHBondContact O-N 3.3Å | ||
| 15 | G | 52.8 | Low | 58.4 | Low | 82 Ų | 82 | 107.8 Ų | 107.8 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | trans | -61 | 92.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | M17 | G15-M17 VanDerWaalsContact C-N 3.28Å; G15-M17 PolarHBondContact O-N 2.89Å | ||
| 16 | K | 56.4 | Low | 59.5 | Low | 182 Ų | 182 | 107.3 Ų | 107.3 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | trans | -66.9 | 94.7 | 170.2 | -162.1 | 179.4 | -172.3 | -176.8 | 0 | 106.3 | S14 D18 | S14-K16 VanDerWaalsContact C-N 3.27Å; S14-K16 PolarHBondContact O-N 3.3Å; K16-D18 VanDerWaalsContact C-N 3.34Å; K16-D18 PolarHBondContact O-N 2.9Å | ||
| 17 | M | 56.8 | Low | 60.3 | Low | 144 Ų | 144 | 108.4 Ų | 108.4 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | trans | -64.4 | 95.5 | -178.1 | -174.9 | 174.2 | -75.2 | 0 | 0 | 108.1 | G15 T19 I22 | G15-M17 VanDerWaalsContact C-N 3.28Å; G15-M17 PolarHBondContact O-N 2.89Å; M17-T19 PolarHBondContact O-N 2.91Å; M17-I22 HydrophobicContact CG-CD1 3.32Å; M17-I22 HydrophobicContact CG-CG1 4.45Å; M17-I22 HydrophobicContact SD-CD1 3.57Å; M17-I22 VanDerWaalsContact SD-CD1 3.57Å | ||
| 18 | D | 64.8 | Low | 61.4 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | trans | -66.6 | 95.1 | -174.1 | -103.6 | -46.5 | 0 | 0 | 0 | 109.5 | K16 G20 T21 I22 | K16-D18 VanDerWaalsContact C-N 3.34Å; K16-D18 PolarHBondContact O-N 2.9Å; D18-G20 PolarHBondContact O-N 2.73Å; D18-G20 VanDerWaalsContact O-N 3.08Å; D18-T21 HydrophobicContact CB-CG2 3.94Å; D18-T21 WeakPolarHBondContact CB-OG1 3.36Å; D18-T21 WeakPolarHBondContact O-CA 3.21Å; D18-T21 PolarHBondContact O-N 3.29Å; D18-T21 PolarHBondContact O-OG1 3.01Å; D18-I22 PolarHBondContact O-N 3.24Å; D18-I22 VanDerWaalsContact O-N 3.09Å | ||
| 19 | T | 66.4 | Low | 62 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 69% | 0.693 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -56.6 | -27.3 | -178.1 | 52.5 | 0 | 0 | 0 | 0 | 112 | M17 M23 | M17-T19 PolarHBondContact O-N 2.91Å; T19-M23 WeakPolarHBondContact O-CB 3.38Å; T19-M23 PolarHBondContact O-N 3.21Å |
| 20 | G | 66.3 | Low | 63.2 | Low | 50 Ų | 50 | 101.6 Ų | 101.6 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.4 | -44.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D18 M23 E24 | D18-G20 PolarHBondContact O-N 2.73Å; D18-G20 VanDerWaalsContact O-N 3.08Å; G20-M23 PolarHBondContact O-N 3.18Å; G20-E24 WeakPolarHBondContact O-CB 3.37Å; G20-E24 PolarHBondContact O-N 2.67Å |
| 21 | T | 70.8 | Confident | 64 | Low | 78 Ų | 78 | 99 Ų | 99 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.9 | -39.2 | 177.4 | 64.1 | 0 | 0 | 0 | 0 | 112 | D18 E24 Q25 | D18-T21 HydrophobicContact CB-CG2 3.94Å; D18-T21 WeakPolarHBondContact CB-OG1 3.36Å; D18-T21 WeakPolarHBondContact O-CA 3.21Å; D18-T21 PolarHBondContact O-N 3.29Å; D18-T21 PolarHBondContact O-OG1 3.01Å; T21-E24 PolarHBondContact O-N 2.83Å; T21-Q25 WeakPolarHBondContact O-CG 3.45Å; T21-Q25 PolarHBondContact O-N 3.34Å |
| 22 | I | 70.1 | Confident | 65.8 | Low | 69 Ų | 69 | 99 Ų | 99 | 35% | 0.354 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -46.5 | 173.7 | -66.3 | -173 | 0 | 0 | 0 | 110.7 | M17 D18 E24 Q25 V26 | M17-I22 HydrophobicContact CG-CD1 3.32Å; M17-I22 HydrophobicContact CG-CG1 4.45Å; M17-I22 HydrophobicContact SD-CD1 3.57Å; M17-I22 VanDerWaalsContact SD-CD1 3.57Å; D18-I22 PolarHBondContact O-N 3.24Å; D18-I22 VanDerWaalsContact O-N 3.09Å; I22-E24 VanDerWaalsContact C-N 3.26Å; I22-E24 PolarHBondContact O-N 3.24Å; I22-Q25 PolarHBondContact O-N 2.9Å; I22-V26 HydrophobicContact CG2-CG2 4.19Å; I22-V26 WeakPolarHBondContact O-CB 3.45Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 2.04Å |
| 23 | M | 67.6 | Low | 67.3 | Low | 124 Ų | 124 | 96.2 Ų | 96.2 | 61% | 0.611 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.8 | -33.1 | 179.6 | -177.6 | 155.5 | -79.4 | 0 | 0 | 112 | T19 G20 K27 | T19-M23 WeakPolarHBondContact O-CB 3.38Å; T19-M23 PolarHBondContact O-N 3.21Å; G20-M23 PolarHBondContact O-N 3.18Å; M23-K27 VanDerWaalsContact O-CG 3.31Å; M23-K27 WeakPolarHBondContact O-CG 3.29Å; M23-K27 PolarHBondContact O-N 3.35Å |
| 24 | E | 74 | Confident | 69.4 | Low | 99 Ų | 99 | 97.3 Ų | 97.3 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.9 | -45.4 | 173.1 | -162 | 59.2 | -153.8 | 0 | 0 | 112.3 | G20 T21 I22 V26 K27 V28 | G20-E24 WeakPolarHBondContact O-CB 3.37Å; G20-E24 PolarHBondContact O-N 2.67Å; T21-E24 PolarHBondContact O-N 2.83Å; I22-E24 VanDerWaalsContact C-N 3.26Å; I22-E24 PolarHBondContact O-N 3.24Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 3.34Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 2.9Å; E24-K27 WeakPolarHBondContact OE2-CD 3.49Å; E24-K27 IonicContact OE2-NZ 2.69Å; E24-K27 PolarHBondContact OE2-NZ 2.9Å; E24-V28 WeakPolarHBondContact O-CG2 3.23Å; E24-V28 PolarHBondContact O-N 2.87Å |
| 25 | Q | 64.6 | Low | 71.3 | Confident | 120 Ų | 120 | 94 Ų | 94 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.3 | -41.2 | 173.4 | -72.5 | 175.7 | 5.5 | 0 | 0 | 111.9 | T21 I22 V28 Q29 | T21-Q25 WeakPolarHBondContact O-CG 3.45Å; T21-Q25 PolarHBondContact O-N 3.34Å; I22-Q25 PolarHBondContact O-N 2.9Å; Q25-V28 PolarHBondContact O-N 2.71Å; Q25-Q29 WeakPolarHBondContact O-CG 3.02Å; Q25-Q29 PolarHBondContact O-N 2.88Å |
| 26 | V | 71.4 | Confident | 73.1 | Confident | 63 Ų | 63 | 96.2 Ų | 96.2 | 38% | 0.382 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | I22 E24 V28 Q29 I30 | I22-V26 HydrophobicContact CG2-CG2 4.19Å; I22-V26 WeakPolarHBondContact O-CB 3.45Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 2.04Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 3.34Å; V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 PolarHBondContact O-N 2.61Å; V26-Q29 PolarHBondContact O-N 3.45Å; V26-I30 HydrophobicContact CG1-CD1 3.67Å; V26-I30 HydrophobicContact CG1-CG1 4.35Å; V26-I30 WeakPolarHBondContact O-CB 3.49Å; V26-I30 VanDerWaalsContact O-CG1 3.22Å; V26-I30 WeakPolarHBondContact O-CG1 3.3Å; V26-I30 PolarHBondContact O-N 2.91Å |
| 27 | K | 71.9 | Confident | 74.9 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 173.7 | -72.9 | 172.7 | -152.2 | 160 | 0 | 112 | M23 E24 I30 A31 | M23-K27 VanDerWaalsContact O-CG 3.31Å; M23-K27 WeakPolarHBondContact O-CG 3.29Å; M23-K27 PolarHBondContact O-N 3.35Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 2.9Å; E24-K27 WeakPolarHBondContact OE2-CD 3.49Å; E24-K27 IonicContact OE2-NZ 2.69Å; E24-K27 PolarHBondContact OE2-NZ 2.9Å; K27-I30 PolarHBondContact O-N 3.44Å; K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.25Å |
| 28 | V | 79.2 | Confident | 76.6 | Confident | 83 Ų | 83 | 86.5 Ų | 86.5 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | E24 Q25 V26 I30 A31 V32 | E24-V28 WeakPolarHBondContact O-CG2 3.23Å; E24-V28 PolarHBondContact O-N 2.87Å; Q25-V28 PolarHBondContact O-N 2.71Å; V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 PolarHBondContact O-N 2.61Å; V28-I30 PolarHBondContact O-N 2.86Å; V28-A31 PolarHBondContact O-N 3.49Å; V28-V32 WeakPolarHBondContact O-CG2 3.29Å; V28-V32 PolarHBondContact O-N 3.21Å |
| 29 | Q | 67.4 | Low | 77.9 | Confident | 132 Ų | 132 | 86.6 Ų | 86.6 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 175.8 | -72 | 176.7 | 8.3 | 0 | 0 | 112.4 | Q25 V26 V32 A33 | Q25-Q29 WeakPolarHBondContact O-CG 3.02Å; Q25-Q29 PolarHBondContact O-N 2.88Å; V26-Q29 PolarHBondContact O-N 3.45Å; Q29-V32 PolarHBondContact O-N 3.39Å; Q29-A33 WeakPolarHBondContact O-CB 3.06Å; Q29-A33 PolarHBondContact O-N 3.18Å |
| 30 | I | 75.3 | Confident | 79.4 | Confident | 93 Ų | 93 | 86.5 Ų | 86.5 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 174 | -70.7 | 166.7 | 0 | 0 | 0 | 110.6 | V26 K27 V28 V32 A33 N34 | V26-I30 HydrophobicContact CG1-CD1 3.67Å; V26-I30 HydrophobicContact CG1-CG1 4.35Å; V26-I30 WeakPolarHBondContact O-CB 3.49Å; V26-I30 VanDerWaalsContact O-CG1 3.22Å; V26-I30 WeakPolarHBondContact O-CG1 3.3Å; V26-I30 PolarHBondContact O-N 2.91Å; K27-I30 PolarHBondContact O-N 3.44Å; V28-I30 PolarHBondContact O-N 2.86Å; I30-V32 PolarHBondContact O-N 3.3Å; I30-A33 PolarHBondContact O-N 2.87Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.25Å; I30-N34 PolarHBondContact O-N 2.73Å; I30-N34 PolarHBondContact O-ND2 3.27Å |
| 31 | A | 77.8 | Confident | 80.8 | Confident | 61 Ų | 61 | 91.1 Ų | 91.1 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K27 V28 N34 A35 | K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.25Å; V28-A31 PolarHBondContact O-N 3.49Å; A31-N34 PolarHBondContact O-N 2.04Å; A31-A35 WeakPolarHBondContact O-CB 3.01Å; A31-A35 PolarHBondContact O-N 3.15Å |
| 32 | V | 85.8 | Confident | 82 | Confident | 75 Ų | 75 | 88.1 Ų | 88.1 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174.8 | 171 | 0 | 0 | 0 | 0 | 111.4 | V28 Q29 I30 N34 A35 Q36 | V28-V32 WeakPolarHBondContact O-CG2 3.29Å; V28-V32 PolarHBondContact O-N 3.21Å; Q29-V32 PolarHBondContact O-N 3.39Å; I30-V32 PolarHBondContact O-N 3.3Å; V32-N34 PolarHBondContact O-N 2.84Å; V32-A35 PolarHBondContact O-N 3.11Å; V32-Q36 HydrophobicContact CG1-CG 4.49Å; V32-Q36 WeakPolarHBondContact O-CG 3.48Å; V32-Q36 PolarHBondContact O-N 2.87Å |
| 33 | A | 85.4 | Confident | 83.2 | Confident | 52 Ų | 52 | 87.9 Ų | 87.9 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q29 I30 A35 Q36 E37 | Q29-A33 WeakPolarHBondContact O-CB 3.06Å; Q29-A33 PolarHBondContact O-N 3.18Å; I30-A33 PolarHBondContact O-N 2.87Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 3.26Å; A33-Q36 PolarHBondContact O-N 2.92Å; A33-E37 PolarHBondContact O-N 3.43Å |
| 34 | N | 85.8 | Confident | 84.7 | Confident | 95 Ų | 95 | 85.3 Ų | 85.3 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 174.9 | -80.7 | -86.7 | 0 | 0 | 0 | 112.1 | I30 A31 V32 E37 L38 | I30-N34 WeakPolarHBondContact CG2-ND2 3.25Å; I30-N34 PolarHBondContact O-N 2.73Å; I30-N34 PolarHBondContact O-ND2 3.27Å; A31-N34 PolarHBondContact O-N 2.04Å; V32-N34 PolarHBondContact O-N 2.84Å; N34-E37 PolarHBondContact O-N 3.41Å; N34-L38 WeakPolarHBondContact O-CB 3.26Å; N34-L38 PolarHBondContact O-N 2.84Å |
| 35 | A | 86.4 | Confident | 85.8 | Confident | 49 Ų | 49 | 87 Ų | 87 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A31 V32 A33 L38 L39 | A31-A35 WeakPolarHBondContact O-CB 3.01Å; A31-A35 PolarHBondContact O-N 3.15Å; V32-A35 PolarHBondContact O-N 3.11Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 3.26Å; A35-L38 PolarHBondContact O-N 3.46Å; A35-L39 VanDerWaalsContact O-CG 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.5Å; A35-L39 PolarHBondContact O-N 2.97Å |
| 36 | Q | 91.1 | Very high | 87.4 | Confident | 128 Ų | 128 | 81.3 Ų | 81.3 | 60% | 0.598 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 173.5 | -74.1 | 175.7 | -21 | 0 | 0 | 111.9 | V32 A33 L38 L39 Q40 | V32-Q36 HydrophobicContact CG1-CG 4.49Å; V32-Q36 WeakPolarHBondContact O-CG 3.48Å; V32-Q36 PolarHBondContact O-N 2.87Å; A33-Q36 PolarHBondContact O-N 2.92Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; Q36-L38 PolarHBondContact O-N 2.98Å; Q36-L39 PolarHBondContact O-N 2.92Å; Q36-Q40 WeakPolarHBondContact O-CB 3.39Å; Q36-Q40 PolarHBondContact O-N 3.36Å |
| 37 | E | 93.6 | Very high | 88.6 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 43% | 0.425 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.8 | -169.7 | -174.1 | 164.9 | 0 | 0 | 111.7 | A33 N34 Q40 R41 | A33-E37 PolarHBondContact O-N 3.43Å; N34-E37 PolarHBondContact O-N 3.41Å; E37-Q40 PolarHBondContact O-N 3.23Å; E37-R41 HydrophobicContact CG-CG 4.41Å; E37-R41 WeakPolarHBondContact O-CB 3.32Å; E37-R41 VanDerWaalsContact O-CG 3.31Å; E37-R41 WeakPolarHBondContact O-CG 3.3Å; E37-R41 PolarHBondContact O-N 3.17Å; E37-R41 IonicContact OE1-CZ 3.12Å; E37-R41 IonicContact OE1-NE 2.73Å; E37-R41 PolarHBondContact OE1-NE 3.46Å; E37-R41 IonicContact OE1-NH2 2.67Å; E37-R41 PolarHBondContact OE1-NH2 2.93Å |
| 38 | L | 92.3 | Very high | 89.8 | Confident | 32 Ų | 32 | 85.9 Ų | 85.9 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 175.5 | -178.1 | 63.9 | 0 | 0 | 0 | 111.6 | N34 A35 Q36 R41 M42 Y73 M74 W77 | N34-L38 WeakPolarHBondContact O-CB 3.26Å; N34-L38 PolarHBondContact O-N 2.84Å; A35-L38 PolarHBondContact O-N 3.46Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; Q36-L38 PolarHBondContact O-N 2.98Å; L38-R41 PolarHBondContact O-N 3.06Å; L38-M42 VanDerWaalsContact O-CB 3.31Å; L38-M42 WeakPolarHBondContact O-CB 3.28Å; L38-M42 PolarHBondContact O-N 3.32Å; L38-Y73 HydrophobicContact CD1-CE1 3.77Å; L38-M74 HydrophobicContact CD2-SD 4.41Å; L38-W77 VanDerWaalsContact CD1-CD1 3.46Å; L38-W77 HydrophobicContact CD1-CD2 4.24Å; L38-W77 HydrophobicContact CD1-CG 3.94Å; L38-W77 HydrophobicContact CD2-CD2 4.22Å; L38-W77 HydrophobicContact CD2-CZ2 4.15Å |
| 39 | L | 93.8 | Very high | 90.6 | Very high | 101 Ų | 101 | 89.7 Ų | 89.7 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 176.9 | -71.9 | 171.5 | 0 | 0 | 0 | 111.7 | A35 Q36 M42 T43 | A35-L39 VanDerWaalsContact O-CG 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.5Å; A35-L39 PolarHBondContact O-N 2.97Å; Q36-L39 PolarHBondContact O-N 2.92Å; L39-M42 HydrophobicContact CD2-CE 3.96Å; L39-M42 PolarHBondContact O-N 3.47Å; L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.41Å; L39-T43 PolarHBondContact O-N 3.47Å; L39-T43 PolarHBondContact O-OG1 2.97Å |
| 40 | Q | 96.2 | Very high | 92.1 | Very high | 111 Ų | 111 | 84.2 Ų | 84.2 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 177.7 | -170.4 | 64 | 45.5 | 0 | 0 | 111.2 | Q36 E37 M42 T43 D44 | Q36-Q40 WeakPolarHBondContact O-CB 3.39Å; Q36-Q40 PolarHBondContact O-N 3.36Å; E37-Q40 PolarHBondContact O-N 3.23Å; Q40-M42 VanDerWaalsContact C-N 3.32Å; Q40-M42 PolarHBondContact O-N 2.88Å; Q40-T43 PolarHBondContact O-N 3.49Å; Q40-D44 PolarHBondContact NE2-OD1 3.49Å; Q40-D44 WeakPolarHBondContact O-CB 3.25Å; Q40-D44 VanDerWaalsContact O-CG 3.32Å; Q40-D44 PolarHBondContact O-N 3.48Å |
| 41 | R | 96.1 | Very high | 93.1 | Very high | 147 Ų | 147 | 80.5 Ų | 80.5 | 56% | 0.555 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.9 | -36.9 | 179 | -72.1 | 179.3 | -179.3 | -80.2 | 3.4 | 112.7 | E37 L38 K45 | E37-R41 HydrophobicContact CG-CG 4.41Å; E37-R41 WeakPolarHBondContact O-CB 3.32Å; E37-R41 VanDerWaalsContact O-CG 3.31Å; E37-R41 WeakPolarHBondContact O-CG 3.3Å; E37-R41 PolarHBondContact O-N 3.17Å; E37-R41 IonicContact OE1-CZ 3.12Å; E37-R41 IonicContact OE1-NE 2.73Å; E37-R41 PolarHBondContact OE1-NE 3.46Å; E37-R41 IonicContact OE1-NH2 2.67Å; E37-R41 PolarHBondContact OE1-NH2 2.93Å; L38-R41 PolarHBondContact O-N 3.06Å; R41-K45 VanDerWaalsContact O-CB 3.29Å; R41-K45 WeakPolarHBondContact O-CB 3.04Å; R41-K45 PolarHBondContact O-N 3.32Å |
| 42 | M | 96.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 81.1 Ų | 81.1 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 173.8 | -176.8 | 173.3 | 68.2 | 0 | 0 | 110.9 | L38 L39 Q40 K45 C46 M70 Y73 M74 | L38-M42 VanDerWaalsContact O-CB 3.31Å; L38-M42 WeakPolarHBondContact O-CB 3.28Å; L38-M42 PolarHBondContact O-N 3.32Å; L39-M42 HydrophobicContact CD2-CE 3.96Å; L39-M42 PolarHBondContact O-N 3.47Å; Q40-M42 VanDerWaalsContact C-N 3.32Å; Q40-M42 PolarHBondContact O-N 2.88Å; M42-K45 PolarHBondContact O-N 3.36Å; M42-C46 WeakPolarHBondContact O-CB 3.47Å; M42-C46 PolarHBondContact O-N 3.22Å; M42-M70 HydrophobicContact CE-CB 4.43Å; M42-M70 HydrophobicContact CE-CE 4.32Å; M42-M70 HydrophobicContact CE-CG 4.02Å; M42-M70 HydrophobicContact CE-SD 4.2Å; M42-M70 HydrophobicContact CG-CG 4.14Å; M42-M70 HydrophobicContact SD-CB 3.95Å; M42-M70 HydrophobicContact SD-CG 3.89Å; M42-Y73 HydrophobicContact CB-CD1 3.75Å; M42-Y73 HydrophobicContact CB-CD2 4.49Å; M42-Y73 HydrophobicContact CB-CE1 3.67Å; M42-Y73 HydrophobicContact CB-CE2 4.41Å; M42-Y73 HydrophobicContact CB-CG 4.19Å; M42-Y73 HydrophobicContact CG-CD1 3.59Å; M42-Y73 HydrophobicContact CG-CD2 4.33Å; M42-Y73 HydrophobicContact CG-CE1 4.08Å; M42-Y73 HydrophobicContact CG-CG 3.75Å; M42-Y73 HydrophobicContact SD-CD1 3.79Å; M42-Y73 HydrophobicContact SD-CG 4.28Å; M42-M74 HydrophobicContact SD-CG 4.01Å; M42-M74 HydrophobicContact SD-SD 4.13Å |
| 43 | T | 96 | Very high | 94 | Very high | 64 Ų | 64 | 86.3 Ų | 86.3 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.3 | -52.2 | 179.9 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L39 Q40 K45 C46 F47 | L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.41Å; L39-T43 PolarHBondContact O-N 3.47Å; L39-T43 PolarHBondContact O-OG1 2.97Å; Q40-T43 PolarHBondContact O-N 3.49Å; T43-K45 PolarHBondContact O-N 2.9Å; T43-C46 PolarHBondContact O-N 2.89Å; T43-F47 VanDerWaalsContact O-CB 3.23Å; T43-F47 WeakPolarHBondContact O-CB 3.43Å; T43-F47 PolarHBondContact O-N 2.93Å |
| 44 | D | 97.2 | Very high | 94.2 | Very high | 69 Ų | 69 | 88.7 Ų | 88.7 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.3 | -40.8 | 177.4 | -72.5 | -2.5 | 0 | 0 | 0 | 112.2 | Q40 K48 | Q40-D44 PolarHBondContact NE2-OD1 3.49Å; Q40-D44 WeakPolarHBondContact O-CB 3.25Å; Q40-D44 VanDerWaalsContact O-CG 3.32Å; Q40-D44 PolarHBondContact O-N 3.48Å; D44-K48 WeakPolarHBondContact O-CB 3.3Å; D44-K48 WeakPolarHBondContact O-CD 3.38Å; D44-K48 WeakPolarHBondContact O-CG 3.37Å; D44-K48 PolarHBondContact O-N 2.92Å; D44-K48 VanDerWaalsContact O-N 3.15Å |
| 45 | K | 97.7 | Very high | 94.3 | Very high | 135 Ų | 135 | 87 Ų | 87 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -76.1 | -40.5 | -175.5 | -160.5 | 174.5 | -170.5 | -176.8 | 0 | 111.9 | R41 M42 T43 K49 Y73 | R41-K45 VanDerWaalsContact O-CB 3.29Å; R41-K45 WeakPolarHBondContact O-CB 3.04Å; R41-K45 PolarHBondContact O-N 3.32Å; M42-K45 PolarHBondContact O-N 3.36Å; T43-K45 PolarHBondContact O-N 2.9Å; K45-K49 VanDerWaalsContact O-CB 3.3Å; K45-K49 WeakPolarHBondContact O-CB 3.38Å; K45-K49 PolarHBondContact O-N 3.42Å; K45-Y73 HydrophobicContact CB-CE2 4.49Å; K45-Y73 HydrophobicContact CD-CD2 3.99Å; K45-Y73 HydrophobicContact CD-CE2 3.78Å |
| 46 | C | 97.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 89 Ų | 89 | 1% | 0.007 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -74.3 | -37.3 | 176.8 | -68 | 0 | 0 | 0 | 0 | 112.3 | M42 T43 K49 C50 C69 | M42-C46 WeakPolarHBondContact O-CB 3.47Å; M42-C46 PolarHBondContact O-N 3.22Å; T43-C46 PolarHBondContact O-N 2.89Å; C46-K49 PolarHBondContact O-N 3.32Å; C46-C50 VanDerWaalsContact O-CB 3.29Å; C46-C50 WeakPolarHBondContact O-CB 3.31Å; C46-C50 PolarHBondContact O-N 3.35Å; C46-C69 WeakPolarHBondContact CA-SG 3.21Å; C46-C69 HydrophobicContact CB-CB 3.77Å; C46-C69 WeakPolarHBondContact CB-SG 3.43Å; C46-C69 WeakPolarHBondContact SG-CB 3.41Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 2.97Å |
| 47 | F | 96.8 | Very high | 94.8 | Very high | 100 Ų | 100 | 88.8 Ų | 88.8 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.9 | -54.6 | 171.9 | -173.6 | -88.8 | 0 | 0 | 0 | 111 | T43 K49 C50 I51 P54 | T43-F47 VanDerWaalsContact O-CB 3.23Å; T43-F47 WeakPolarHBondContact O-CB 3.43Å; T43-F47 PolarHBondContact O-N 2.93Å; F47-K49 PolarHBondContact O-N 2.99Å; F47-K49 VanDerWaalsContact O-N 3.12Å; F47-C50 PolarHBondContact O-N 2.86Å; F47-I51 HydrophobicContact CD1-CB 4.45Å; F47-I51 HydrophobicContact CD2-CB 4.13Å; F47-I51 HydrophobicContact CD2-CG1 3.59Å; F47-I51 HydrophobicContact CE1-CB 4.31Å; F47-I51 HydrophobicContact CE1-CG2 4.38Å; F47-I51 HydrophobicContact CE2-CB 3.98Å; F47-I51 HydrophobicContact CE2-CG1 3.75Å; F47-I51 HydrophobicContact CE2-CG2 3.9Å; F47-I51 HydrophobicContact CG-CB 4.36Å; F47-I51 HydrophobicContact CG-CG1 4.09Å; F47-I51 HydrophobicContact CZ-CB 4.07Å; F47-I51 HydrophobicContact CZ-CG1 4.35Å; F47-I51 HydrophobicContact CZ-CG2 3.81Å; F47-I51 WeakPolarHBondContact O-CB 3.4Å; F47-I51 PolarHBondContact O-N 3.35Å; F47-P54 HydrophobicContact CZ-CB 4.43Å; F47-P54 HydrophobicContact CZ-CG 4.24Å |
| 48 | K | 96.6 | Very high | 94.8 | Very high | 169 Ų | 169 | 88.1 Ų | 88.1 | 74% | 0.735 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.7 | -23.1 | 177.8 | -72.6 | 169.1 | -175.4 | 166.7 | 0 | 114.2 | D44 | D44-K48 WeakPolarHBondContact O-CB 3.3Å; D44-K48 WeakPolarHBondContact O-CD 3.38Å; D44-K48 WeakPolarHBondContact O-CG 3.37Å; D44-K48 PolarHBondContact O-N 2.92Å; D44-K48 VanDerWaalsContact O-N 3.15Å |
| 49 | K | 97.4 | Very high | 94.9 | Very high | 164 Ų | 164 | 90.5 Ų | 90.5 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -90.9 | -32.8 | -179.3 | -177.8 | 56 | -176.5 | 169 | 0 | 113.3 | K45 C46 F47 | K45-K49 VanDerWaalsContact O-CB 3.3Å; K45-K49 WeakPolarHBondContact O-CB 3.38Å; K45-K49 PolarHBondContact O-N 3.42Å; C46-K49 PolarHBondContact O-N 3.32Å; F47-K49 PolarHBondContact O-N 2.99Å; F47-K49 VanDerWaalsContact O-N 3.12Å |
| 50 | C | 97.7 | Very high | 95.1 | Very high | 16 Ų | 16 | 91.9 Ų | 91.9 | 11% | 0.108 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -108.1 | -27.5 | -170.7 | -67.1 | 0 | 0 | 0 | 0 | 114.3 | C46 F47 C65 I66 | C46-C50 VanDerWaalsContact O-CB 3.29Å; C46-C50 WeakPolarHBondContact O-CB 3.31Å; C46-C50 PolarHBondContact O-N 3.35Å; F47-C50 PolarHBondContact O-N 2.86Å; C50-C65 WeakPolarHBondContact CA-SG 3.27Å; C50-C65 HydrophobicContact CB-CB 3.59Å; C50-C65 WeakPolarHBondContact CB-SG 3.4Å; C50-C65 WeakPolarHBondContact SG-CB 3.48Å; C50-C65 PolarHBondContact SG-O 3.42Å; C50-C65 VanDerWaalsContact SG-O 3.34Å; C50-C65 CovalentContact SG-SG 2.04Å; C50-C65 PolarHBondContact SG-SG 3.45Å; C50-I66 HydrophobicContact CB-CG1 3.94Å |
| 51 | I | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 90.6 Ų | 90.6 | 8% | 0.082 | 51% | 0.51 | C | S | . | . | trans | -98.5 | 98.5 | -175.3 | -51.5 | -52.7 | 0 | 0 | 0 | 109.6 | F47 P54 L58 E62 I66 | F47-I51 HydrophobicContact CD1-CB 4.45Å; F47-I51 HydrophobicContact CD2-CB 4.13Å; F47-I51 HydrophobicContact CD2-CG1 3.59Å; F47-I51 HydrophobicContact CE1-CB 4.31Å; F47-I51 HydrophobicContact CE1-CG2 4.38Å; F47-I51 HydrophobicContact CE2-CB 3.98Å; F47-I51 HydrophobicContact CE2-CG1 3.75Å; F47-I51 HydrophobicContact CE2-CG2 3.9Å; F47-I51 HydrophobicContact CG-CB 4.36Å; F47-I51 HydrophobicContact CG-CG1 4.09Å; F47-I51 HydrophobicContact CZ-CB 4.07Å; F47-I51 HydrophobicContact CZ-CG1 4.35Å; F47-I51 HydrophobicContact CZ-CG2 3.81Å; F47-I51 WeakPolarHBondContact O-CB 3.4Å; F47-I51 PolarHBondContact O-N 3.35Å; I51-P54 HydrophobicContact CG2-CB 4.41Å; I51-P54 HydrophobicContact CG2-CG 4.16Å; I51-L58 HydrophobicContact CD1-CD2 3.42Å; I51-L58 VanDerWaalsContact CD1-CD2 3.42Å; I51-L58 HydrophobicContact CG1-CD2 4.36Å; I51-E62 HydrophobicContact CD1-CB 3.66Å; I51-E62 HydrophobicContact CD1-CG 3.76Å; I51-E62 WeakPolarHBondContact CD1-OE1 3.3Å; I51-I66 HydrophobicContact CD1-CD1 3.92Å; I51-I66 HydrophobicContact CG1-CD1 4.47Å | ||
| 52 | G | 92.5 | Very high | 95.1 | Very high | 74 Ų | 74 | 84.4 Ų | 84.4 | 76% | 0.763 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -84.1 | -28 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 53 | K | 89.9 | Confident | 95.1 | Very high | 184 Ų | 184 | 88.7 Ų | 88.7 | 80% | 0.8 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -139.7 | 94.4 | -179.9 | -69.5 | -177.6 | -178.6 | 177.3 | 0 | 109.2 | G55 | K53-G55 PolarHBondContact O-N 3.2Å; K53-G55 VanDerWaalsContact O-N 3.16Å |
| 54 | P | 89.3 | Confident | 95.2 | Very high | 101 Ų | 101 | 92.3 Ų | 92.3 | 66% | 0.656 | 52% | 0.518 | S | S | * | . | trans | -55.8 | 121 | -179 | -25.7 | 34.8 | 0 | 0 | 0 | 111.9 | F47 I51 | F47-P54 HydrophobicContact CZ-CB 4.43Å; F47-P54 HydrophobicContact CZ-CG 4.24Å; I51-P54 HydrophobicContact CG2-CB 4.41Å; I51-P54 HydrophobicContact CG2-CG 4.16Å | ||
| 55 | G | 89.1 | Confident | 95.2 | Very high | 61 Ų | 61 | 90.7 Ų | 90.7 | 63% | 0.629 | 51% | 0.512 | S | S | * | . | trans | -123.2 | 176.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K53 T57 | K53-G55 PolarHBondContact O-N 3.2Å; K53-G55 VanDerWaalsContact O-N 3.16Å; G55-T57 PolarHBondContact O-N 3.07Å | ||
| 56 | G | 93.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 85.7 Ų | 85.7 | 94% | 0.938 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -72 | -12 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 57 | T | 94.2 | Very high | 95.2 | Very high | 122 Ų | 122 | 88.1 Ų | 88.1 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -142.4 | 144.3 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | G55 | G55-T57 PolarHBondContact O-N 3.07Š|
| 58 | L | 94.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 88.1 Ų | 88.1 | 41% | 0.408 | 51% | 0.514 | S | S | . | . | trans | -75.2 | 133.2 | 170 | -61.7 | 173.6 | 0 | 0 | 0 | 110.4 | I51 E62 Q63 I66 | I51-L58 HydrophobicContact CD1-CD2 3.42Å; I51-L58 VanDerWaalsContact CD1-CD2 3.42Å; I51-L58 HydrophobicContact CG1-CD2 4.36Å; L58-E62 WeakPolarHBondContact CA-OE2 3.43Å; L58-E62 HydrophobicContact CB-CB 4.42Å; L58-E62 HydrophobicContact CD2-CB 4.35Å; L58-Q63 HydrophobicContact CB-CG 3.67Å; L58-Q63 HydrophobicContact CD1-CG 4.27Å; L58-I66 HydrophobicContact CD1-CD1 3.86Å; L58-I66 HydrophobicContact CD2-CD1 4.02Å | ||
| 59 | D | 93.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 81.3 Ų | 81.3 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | trans | -76.3 | 166.5 | 169.4 | 84.6 | 39.5 | 0 | 0 | 0 | 112.2 | S61 E62 Q63 | D59-S61 PolarHBondContact O-N 3.48Å; D59-S61 VanDerWaalsContact OD1-CA 3.27Å; D59-S61 WeakPolarHBondContact OD1-CA 3.42Å; D59-S61 VanDerWaalsContact OD1-CB 3.25Å; D59-S61 WeakPolarHBondContact OD1-CB 3.43Å; D59-S61 PolarHBondContact OD1-N 3.05Å; D59-S61 PolarHBondContact OD1-OG 2.78Å; D59-E62 PolarHBondContact N-OE2 3Å; D59-E62 PolarHBondContact O-N 3.2Å; D59-E62 PolarHBondContact OD1-N 3.03Å; D59-Q63 WeakPolarHBondContact O-CG 3.34Å; D59-Q63 PolarHBondContact O-N 3.01Å | ||
| 60 | N | 96.6 | Very high | 95.3 | Very high | 130 Ų | 130 | 76.5 Ų | 76.5 | 70% | 0.695 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.6 | -29.5 | -176.5 | -171 | 19.9 | 0 | 0 | 0 | 113.1 | K64 | N60-K64 VanDerWaalsContact O-CB 3.3Å; N60-K64 WeakPolarHBondContact O-CB 3.22Å; N60-K64 PolarHBondContact O-N 3.18Å; N60-K64 VanDerWaalsContact O-N 3.11Å |
| 61 | S | 95.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 80.4 Ų | 80.4 | 58% | 0.58 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.2 | -39.1 | 175.6 | 80 | 0 | 0 | 0 | 0 | 111.7 | D59 C65 | D59-S61 PolarHBondContact O-N 3.48Å; D59-S61 VanDerWaalsContact OD1-CA 3.27Å; D59-S61 WeakPolarHBondContact OD1-CA 3.42Å; D59-S61 VanDerWaalsContact OD1-CB 3.25Å; D59-S61 WeakPolarHBondContact OD1-CB 3.43Å; D59-S61 PolarHBondContact OD1-N 3.05Å; D59-S61 PolarHBondContact OD1-OG 2.78Å; S61-C65 VanDerWaalsContact O-CB 3.26Å; S61-C65 WeakPolarHBondContact O-CB 3.43Å; S61-C65 PolarHBondContact O-N 3.05Å |
| 62 | E | 96.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 86.9 Ų | 86.9 | 8% | 0.084 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 173.9 | -68.4 | -176.2 | 136.3 | 0 | 0 | 111.4 | I51 L58 D59 K64 C65 I66 | I51-E62 HydrophobicContact CD1-CB 3.66Å; I51-E62 HydrophobicContact CD1-CG 3.76Å; I51-E62 WeakPolarHBondContact CD1-OE1 3.3Å; L58-E62 WeakPolarHBondContact CA-OE2 3.43Å; L58-E62 HydrophobicContact CB-CB 4.42Å; L58-E62 HydrophobicContact CD2-CB 4.35Å; D59-E62 PolarHBondContact N-OE2 3Å; D59-E62 PolarHBondContact O-N 3.2Å; D59-E62 PolarHBondContact OD1-N 3.03Å; E62-K64 PolarHBondContact O-N 2.89Å; E62-C65 PolarHBondContact O-N 3.49Å; E62-I66 WeakPolarHBondContact O-CG1 3.37Å; E62-I66 PolarHBondContact O-N 3.36Å |
| 63 | Q | 96.4 | Very high | 95.6 | Very high | 105 Ų | 105 | 85.3 Ų | 85.3 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.6 | -50.1 | 174.7 | -72.5 | 177.3 | -13.8 | 0 | 0 | 111.5 | L58 D59 C65 I66 A67 | L58-Q63 HydrophobicContact CB-CG 3.67Å; L58-Q63 HydrophobicContact CD1-CG 4.27Å; D59-Q63 WeakPolarHBondContact O-CG 3.34Å; D59-Q63 PolarHBondContact O-N 3.01Å; Q63-C65 VanDerWaalsContact C-N 3.34Å; Q63-C65 PolarHBondContact O-N 2.88Å; Q63-I66 PolarHBondContact O-N 2.84Å; Q63-A67 PolarHBondContact O-N 3.45Å |
| 64 | K | 97.9 | Very high | 95.9 | Very high | 139 Ų | 139 | 80 Ų | 80 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 177.9 | -172.7 | 176.6 | -179.1 | 177.8 | 0 | 111.9 | N60 E62 M68 | N60-K64 VanDerWaalsContact O-CB 3.3Å; N60-K64 WeakPolarHBondContact O-CB 3.22Å; N60-K64 PolarHBondContact O-N 3.18Å; N60-K64 VanDerWaalsContact O-N 3.11Å; E62-K64 PolarHBondContact O-N 2.89Å; K64-M68 HydrophobicContact CG-CE 4.18Å; K64-M68 HydrophobicContact CG-SD 4.46Å; K64-M68 WeakPolarHBondContact O-CG 3.46Å; K64-M68 PolarHBondContact O-N 3.36Å; K64-M68 VanDerWaalsContact O-N 3.17Å |
| 65 | C | 98.2 | Very high | 96.2 | Very high | 36 Ų | 36 | 78.6 Ų | 78.6 | 24% | 0.243 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | C50 S61 E62 Q63 M68 C69 | C50-C65 WeakPolarHBondContact CA-SG 3.27Å; C50-C65 HydrophobicContact CB-CB 3.59Å; C50-C65 WeakPolarHBondContact CB-SG 3.4Å; C50-C65 WeakPolarHBondContact SG-CB 3.48Å; C50-C65 PolarHBondContact SG-O 3.42Å; C50-C65 VanDerWaalsContact SG-O 3.34Å; C50-C65 CovalentContact SG-SG 2.04Å; C50-C65 PolarHBondContact SG-SG 3.45Å; S61-C65 VanDerWaalsContact O-CB 3.26Å; S61-C65 WeakPolarHBondContact O-CB 3.43Å; S61-C65 PolarHBondContact O-N 3.05Å; E62-C65 PolarHBondContact O-N 3.49Å; Q63-C65 VanDerWaalsContact C-N 3.34Å; Q63-C65 PolarHBondContact O-N 2.88Å; C65-M68 PolarHBondContact O-N 3.34Å; C65-C69 WeakPolarHBondContact O-CB 3.34Å; C65-C69 PolarHBondContact O-N 2.92Å |
| 66 | I | 97.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 78.4 Ų | 78.4 | 15% | 0.154 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 178.9 | -74.5 | 166.9 | 0 | 0 | 0 | 110.8 | C50 I51 L58 E62 Q63 M68 C69 M70 | C50-I66 HydrophobicContact CB-CG1 3.94Å; I51-I66 HydrophobicContact CD1-CD1 3.92Å; I51-I66 HydrophobicContact CG1-CD1 4.47Å; L58-I66 HydrophobicContact CD1-CD1 3.86Å; L58-I66 HydrophobicContact CD2-CD1 4.02Å; E62-I66 WeakPolarHBondContact O-CG1 3.37Å; E62-I66 PolarHBondContact O-N 3.36Å; Q63-I66 PolarHBondContact O-N 2.84Å; I66-M68 PolarHBondContact O-N 2.95Å; I66-C69 WeakPolarHBondContact O-CB 3.29Å; I66-C69 PolarHBondContact O-N 3.33Å; I66-C69 VanDerWaalsContact O-N 3.15Å; I66-M70 HydrophobicContact CG2-CE 3.73Å; I66-M70 HydrophobicContact CG2-CG 4.32Å; I66-M70 HydrophobicContact CG2-SD 3.92Å; I66-M70 WeakPolarHBondContact O-CG 3.36Å; I66-M70 PolarHBondContact O-N 3.33Å |
| 67 | A | 96.8 | Very high | 96.7 | Very high | 51 Ų | 51 | 79.3 Ų | 79.3 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.2 | -54 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q63 C69 M70 D71 | Q63-A67 PolarHBondContact O-N 3.45Å; A67-C69 VanDerWaalsContact C-N 3.26Å; A67-C69 PolarHBondContact O-N 3.04Å; A67-M70 PolarHBondContact O-N 2.88Å; A67-D71 PolarHBondContact O-N 2.83Å |
| 68 | M | 98.3 | Very high | 96.7 | Very high | 100 Ų | 100 | 76.4 Ų | 76.4 | 49% | 0.493 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 176.9 | -65.6 | -175.7 | -56.3 | 0 | 0 | 112.6 | K64 C65 I66 R72 | K64-M68 HydrophobicContact CG-CE 4.18Å; K64-M68 HydrophobicContact CG-SD 4.46Å; K64-M68 WeakPolarHBondContact O-CG 3.46Å; K64-M68 PolarHBondContact O-N 3.36Å; K64-M68 VanDerWaalsContact O-N 3.17Å; C65-M68 PolarHBondContact O-N 3.34Å; I66-M68 PolarHBondContact O-N 2.95Å; M68-R72 WeakPolarHBondContact O-CB 3.15Å; M68-R72 VanDerWaalsContact O-CG 3.3Å; M68-R72 WeakPolarHBondContact O-CG 3.29Å; M68-R72 PolarHBondContact O-N 3.26Å |
| 69 | C | 98.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 76.5 Ų | 76.5 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 178.1 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | C46 C65 I66 A67 R72 Y73 | C46-C69 WeakPolarHBondContact CA-SG 3.21Å; C46-C69 HydrophobicContact CB-CB 3.77Å; C46-C69 WeakPolarHBondContact CB-SG 3.43Å; C46-C69 WeakPolarHBondContact SG-CB 3.41Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 2.97Å; C65-C69 WeakPolarHBondContact O-CB 3.34Å; C65-C69 PolarHBondContact O-N 2.92Å; I66-C69 WeakPolarHBondContact O-CB 3.29Å; I66-C69 PolarHBondContact O-N 3.33Å; I66-C69 VanDerWaalsContact O-N 3.15Å; A67-C69 VanDerWaalsContact C-N 3.26Å; A67-C69 PolarHBondContact O-N 3.04Å; C69-R72 PolarHBondContact O-N 3.09Å; C69-Y73 VanDerWaalsContact O-CB 3.25Å; C69-Y73 WeakPolarHBondContact O-CB 3.39Å; C69-Y73 PolarHBondContact O-N 3.24Å |
| 70 | M | 97.3 | Very high | 97 | Very high | 63 Ų | 63 | 77.4 Ų | 77.4 | 31% | 0.31 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.2 | -71.2 | -179.7 | 170.1 | 0 | 0 | 110.9 | M42 I66 A67 R72 Y73 M74 | M42-M70 HydrophobicContact CE-CB 4.43Å; M42-M70 HydrophobicContact CE-CE 4.32Å; M42-M70 HydrophobicContact CE-CG 4.02Å; M42-M70 HydrophobicContact CE-SD 4.2Å; M42-M70 HydrophobicContact CG-CG 4.14Å; M42-M70 HydrophobicContact SD-CB 3.95Å; M42-M70 HydrophobicContact SD-CG 3.89Å; I66-M70 HydrophobicContact CG2-CE 3.73Å; I66-M70 HydrophobicContact CG2-CG 4.32Å; I66-M70 HydrophobicContact CG2-SD 3.92Å; I66-M70 WeakPolarHBondContact O-CG 3.36Å; I66-M70 PolarHBondContact O-N 3.33Å; A67-M70 PolarHBondContact O-N 2.88Å; M70-R72 PolarHBondContact O-N 3.48Å; M70-Y73 PolarHBondContact O-N 3.34Å; M70-M74 WeakPolarHBondContact O-CG 3.18Å; M70-M74 PolarHBondContact O-N 2.78Å |
| 71 | D | 96.9 | Very high | 96.8 | Very high | 98 Ų | 98 | 72.9 Ų | 72.9 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.5 | -50.6 | 175.1 | -67.4 | -22.9 | 0 | 0 | 0 | 111.9 | A67 Y73 M74 D75 | A67-D71 PolarHBondContact O-N 2.83Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 2.93Å; D71-M74 PolarHBondContact O-N 3.33Å; D71-D75 PolarHBondContact O-N 3.49Å |
| 72 | R | 97.9 | Very high | 96.8 | Very high | 153 Ų | 153 | 76.8 Ų | 76.8 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.8 | -34.3 | 178 | -69.2 | -55.2 | 92.6 | -140.5 | -7.1 | 112.3 | M68 C69 M70 D75 A76 | M68-R72 WeakPolarHBondContact O-CB 3.15Å; M68-R72 VanDerWaalsContact O-CG 3.3Å; M68-R72 WeakPolarHBondContact O-CG 3.29Å; M68-R72 PolarHBondContact O-N 3.26Å; C69-R72 PolarHBondContact O-N 3.09Å; M70-R72 PolarHBondContact O-N 3.48Å; R72-D75 IonicContact CZ-OD2 3.08Å; R72-D75 IonicContact NH1-OD2 2.69Å; R72-D75 PolarHBondContact NH1-OD2 3.25Å; R72-D75 IonicContact NH2-OD2 2.71Å; R72-D75 PolarHBondContact NH2-OD2 3.06Å; R72-A76 WeakPolarHBondContact O-CB 3.47Å; R72-A76 PolarHBondContact O-N 2.81Å |
| 73 | Y | 97.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 78.7 Ų | 78.7 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.5 | -47 | 177.5 | -174.9 | -82.3 | 0 | 0 | 0 | 111.2 | L38 M42 K45 C69 M70 D71 A76 W77 | L38-Y73 HydrophobicContact CD1-CE1 3.77Å; M42-Y73 HydrophobicContact CB-CD1 3.75Å; M42-Y73 HydrophobicContact CB-CD2 4.49Å; M42-Y73 HydrophobicContact CB-CE1 3.67Å; M42-Y73 HydrophobicContact CB-CE2 4.41Å; M42-Y73 HydrophobicContact CB-CG 4.19Å; M42-Y73 HydrophobicContact CG-CD1 3.59Å; M42-Y73 HydrophobicContact CG-CD2 4.33Å; M42-Y73 HydrophobicContact CG-CE1 4.08Å; M42-Y73 HydrophobicContact CG-CG 3.75Å; M42-Y73 HydrophobicContact SD-CD1 3.79Å; M42-Y73 HydrophobicContact SD-CG 4.28Å; K45-Y73 HydrophobicContact CB-CE2 4.49Å; K45-Y73 HydrophobicContact CD-CD2 3.99Å; K45-Y73 HydrophobicContact CD-CE2 3.78Å; C69-Y73 VanDerWaalsContact O-CB 3.25Å; C69-Y73 WeakPolarHBondContact O-CB 3.39Å; C69-Y73 PolarHBondContact O-N 3.24Å; M70-Y73 PolarHBondContact O-N 3.34Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 2.93Å; Y73-A76 PolarHBondContact O-N 3.43Å; Y73-W77 WeakPolarHBondContact O-CB 3.31Å; Y73-W77 PolarHBondContact O-N 2.83Å |
| 74 | M | 95.9 | Very high | 96.7 | Very high | 71 Ų | 71 | 80.9 Ų | 80.9 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 178.4 | -69.2 | -62 | -76.5 | 0 | 0 | 111.8 | L38 M42 M70 D71 W77 N78 | L38-M74 HydrophobicContact CD2-SD 4.41Å; M42-M74 HydrophobicContact SD-CG 4.01Å; M42-M74 HydrophobicContact SD-SD 4.13Å; M70-M74 WeakPolarHBondContact O-CG 3.18Å; M70-M74 PolarHBondContact O-N 2.78Å; D71-M74 PolarHBondContact O-N 3.33Å; M74-W77 PolarHBondContact O-N 3.06Å; M74-N78 VanDerWaalsContact O-CB 3.29Å; M74-N78 WeakPolarHBondContact O-CB 3.49Å; M74-N78 VanDerWaalsContact O-CG 3.28Å; M74-N78 PolarHBondContact O-N 2.69Å; M74-N78 PolarHBondContact O-ND2 2.77Å |
| 75 | D | 96.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 77.8 Ų | 77.8 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.5 | -89.1 | 1.7 | 0 | 0 | 0 | 112.8 | D71 R72 T79 | D71-D75 PolarHBondContact O-N 3.49Å; R72-D75 IonicContact CZ-OD2 3.08Å; R72-D75 IonicContact NH1-OD2 2.69Å; R72-D75 PolarHBondContact NH1-OD2 3.25Å; R72-D75 IonicContact NH2-OD2 2.71Å; R72-D75 PolarHBondContact NH2-OD2 3.06Å; D75-T79 WeakPolarHBondContact O-CB 3.49Å; D75-T79 PolarHBondContact O-N 2.84Å; D75-T79 PolarHBondContact O-OG1 2.84Å |
| 76 | A | 96.9 | Very high | 96.4 | Very high | 57 Ų | 57 | 78.8 Ų | 78.8 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R72 Y73 T79 V80 | R72-A76 WeakPolarHBondContact O-CB 3.47Å; R72-A76 PolarHBondContact O-N 2.81Å; Y73-A76 PolarHBondContact O-N 3.43Å; A76-T79 PolarHBondContact O-N 3.46Å; A76-V80 WeakPolarHBondContact O-CG2 3.49Å; A76-V80 PolarHBondContact O-N 3Å |
| 77 | W | 95.2 | Very high | 96.3 | Very high | 110 Ų | 110 | 84.5 Ų | 84.5 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 177.7 | -178 | 88 | 0 | 0 | 0 | 112 | L38 Y73 M74 T79 V80 S81 | L38-W77 VanDerWaalsContact CD1-CD1 3.46Å; L38-W77 HydrophobicContact CD1-CD2 4.24Å; L38-W77 HydrophobicContact CD1-CG 3.94Å; L38-W77 HydrophobicContact CD2-CD2 4.22Å; L38-W77 HydrophobicContact CD2-CZ2 4.15Å; Y73-W77 WeakPolarHBondContact O-CB 3.31Å; Y73-W77 PolarHBondContact O-N 2.83Å; M74-W77 PolarHBondContact O-N 3.06Å; W77-T79 VanDerWaalsContact C-N 3.27Å; W77-T79 PolarHBondContact O-N 2.71Å; W77-V80 PolarHBondContact O-N 3.08Å; W77-S81 WeakPolarHBondContact O-CB 3.47Å; W77-S81 PolarHBondContact O-N 2.79Å |
| 78 | N | 94.8 | Very high | 96.2 | Very high | 61 Ų | 61 | 84.5 Ų | 84.5 | 33% | 0.326 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 175.8 | -79.6 | -40.7 | 0 | 0 | 0 | 112.2 | M74 R82 | M74-N78 VanDerWaalsContact O-CB 3.29Å; M74-N78 WeakPolarHBondContact O-CB 3.49Å; M74-N78 VanDerWaalsContact O-CG 3.28Å; M74-N78 PolarHBondContact O-N 2.69Å; M74-N78 PolarHBondContact O-ND2 2.77Å; N78-R82 WeakPolarHBondContact O-CB 3.49Å; N78-R82 VanDerWaalsContact O-CG 3.31Å; N78-R82 WeakPolarHBondContact O-CG 3.25Å; N78-R82 PolarHBondContact O-N 3.49Å; N78-R82 PolarHBondContact O-NE 2.69Å |
| 79 | T | 97.1 | Very high | 95.9 | Very high | 81 Ų | 81 | 85.1 Ų | 85.1 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.8 | -46.9 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | D75 A76 W77 R82 A83 | D75-T79 WeakPolarHBondContact O-CB 3.49Å; D75-T79 PolarHBondContact O-N 2.84Å; D75-T79 PolarHBondContact O-OG1 2.84Å; A76-T79 PolarHBondContact O-N 3.46Å; W77-T79 VanDerWaalsContact C-N 3.27Å; W77-T79 PolarHBondContact O-N 2.71Å; T79-R82 PolarHBondContact O-N 2.85Å; T79-A83 WeakPolarHBondContact O-CB 3.39Å; T79-A83 PolarHBondContact O-N 3.48Å; T79-A83 VanDerWaalsContact O-N 3.08Å |
| 80 | V | 96.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 89.4 Ų | 89.4 | 61% | 0.612 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | A76 W77 R82 A83 Y84 | A76-V80 WeakPolarHBondContact O-CG2 3.49Å; A76-V80 PolarHBondContact O-N 3Å; W77-V80 PolarHBondContact O-N 3.08Å; V80-R82 PolarHBondContact O-N 2.74Å; V80-A83 PolarHBondContact O-N 3.41Å; V80-Y84 VanDerWaalsContact O-CB 3.29Å; V80-Y84 WeakPolarHBondContact O-CB 3.43Å; V80-Y84 PolarHBondContact O-N 2.85Å |
| 81 | S | 93.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 90.5 Ų | 90.5 | 24% | 0.238 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 112 | W77 Y84 N85 | W77-S81 WeakPolarHBondContact O-CB 3.47Å; W77-S81 PolarHBondContact O-N 2.79Å; S81-Y84 PolarHBondContact O-N 3.27Å; S81-N85 WeakPolarHBondContact O-CB 3.3Å; S81-N85 PolarHBondContact O-N 3.02Å; S81-N85 PolarHBondContact O-ND2 3.01Å; S81-N85 PolarHBondContact OG-ND2 3.07Å |
| 82 | R | 94.9 | Very high | 95.4 | Very high | 166 Ų | 166 | 93 Ų | 93 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 174.7 | -75.8 | 177.8 | -68.9 | -154.6 | 3.8 | 112.3 | N78 T79 V80 S86 | N78-R82 WeakPolarHBondContact O-CB 3.49Å; N78-R82 VanDerWaalsContact O-CG 3.31Å; N78-R82 WeakPolarHBondContact O-CG 3.25Å; N78-R82 PolarHBondContact O-N 3.49Å; N78-R82 PolarHBondContact O-NE 2.69Å; T79-R82 PolarHBondContact O-N 2.85Å; V80-R82 PolarHBondContact O-N 2.74Å; R82-S86 VanDerWaalsContact O-CB 3.28Å; R82-S86 WeakPolarHBondContact O-CB 3.47Å; R82-S86 PolarHBondContact O-N 3.3Å |
| 83 | A | 96.9 | Very high | 94.9 | Very high | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T79 V80 S86 R87 | T79-A83 WeakPolarHBondContact O-CB 3.39Å; T79-A83 PolarHBondContact O-N 3.48Å; T79-A83 VanDerWaalsContact O-N 3.08Å; V80-A83 PolarHBondContact O-N 3.41Å; A83-S86 PolarHBondContact O-N 3Å; A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.08Å |
| 84 | Y | 95.7 | Very high | 94.3 | Very high | 152 Ų | 152 | 96.7 Ų | 96.7 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.7 | -50.2 | 177.5 | 178.2 | -105.5 | 0 | 0 | 0 | 111.8 | V80 S81 S86 R87 L88 | V80-Y84 VanDerWaalsContact O-CB 3.29Å; V80-Y84 WeakPolarHBondContact O-CB 3.43Å; V80-Y84 PolarHBondContact O-N 2.85Å; S81-Y84 PolarHBondContact O-N 3.27Å; Y84-S86 VanDerWaalsContact C-N 3.33Å; Y84-S86 PolarHBondContact O-N 2.88Å; Y84-R87 WeakPolarHBondContact O-CB 3.49Å; Y84-R87 PolarHBondContact O-N 3.04Å; Y84-R87 VanDerWaalsContact O-N 3.08Å; Y84-L88 HydrophobicContact CE1-CD2 4.47Å; Y84-L88 PolarHBondContact O-N 3.08Å |
| 85 | N | 93.9 | Very high | 92.9 | Very high | 73 Ų | 73 | 103.1 Ų | 103.1 | 39% | 0.39 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 176.5 | -78 | -66.4 | 0 | 0 | 0 | 112 | S81 R87 L88 Q89 | S81-N85 WeakPolarHBondContact O-CB 3.3Å; S81-N85 PolarHBondContact O-N 3.02Å; S81-N85 PolarHBondContact O-ND2 3.01Å; S81-N85 PolarHBondContact OG-ND2 3.07Å; N85-R87 VanDerWaalsContact C-N 3.27Å; N85-R87 PolarHBondContact O-N 3.34Å; N85-L88 PolarHBondContact O-N 3.5Å; N85-Q89 WeakPolarHBondContact O-CG 3.49Å; N85-Q89 PolarHBondContact O-N 2.94Å |
| 86 | S | 94.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 104.7 Ų | 104.7 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -31.9 | 174 | 175.1 | 0 | 0 | 0 | 0 | 113.5 | R82 A83 Y84 R90 | R82-S86 VanDerWaalsContact O-CB 3.28Å; R82-S86 WeakPolarHBondContact O-CB 3.47Å; R82-S86 PolarHBondContact O-N 3.3Å; A83-S86 PolarHBondContact O-N 3Å; Y84-S86 VanDerWaalsContact C-N 3.33Å; Y84-S86 PolarHBondContact O-N 2.88Å; S86-R90 PolarHBondContact O-NE 3.07Å; S86-R90 PolarHBondContact OG-NH2 3.04Å |
| 87 | R | 95.6 | Very high | 92.5 | Very high | 149 Ų | 149 | 107.2 Ų | 107.2 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.3 | -49.2 | 172.6 | -70 | -71.2 | -177.6 | -176.5 | 1.7 | 110.8 | A83 Y84 N85 Q89 R90 E91 | A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.08Å; Y84-R87 WeakPolarHBondContact O-CB 3.49Å; Y84-R87 PolarHBondContact O-N 3.04Å; Y84-R87 VanDerWaalsContact O-N 3.08Å; N85-R87 VanDerWaalsContact C-N 3.27Å; N85-R87 PolarHBondContact O-N 3.34Å; R87-Q89 VanDerWaalsContact C-N 3.32Å; R87-Q89 PolarHBondContact O-N 3.4Å; R87-R90 WeakPolarHBondContact O-CB 3.36Å; R87-R90 PolarHBondContact O-N 3.45Å; R87-E91 PolarHBondContact O-N 3.41Å |
| 88 | L | 95.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 107 Ų | 107 | 27% | 0.272 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -55.7 | -43.4 | -179 | -178.8 | 61.5 | 0 | 0 | 0 | 112.7 | Y84 N85 R90 E91 R92 | Y84-L88 HydrophobicContact CE1-CD2 4.47Å; Y84-L88 PolarHBondContact O-N 3.08Å; N85-L88 PolarHBondContact O-N 3.5Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3Å; L88-E91 PolarHBondContact O-N 2.96Å; L88-R92 HydrophobicContact CD1-CG 4.49Å; L88-R92 WeakPolarHBondContact O-CB 3.31Å; L88-R92 VanDerWaalsContact O-CG 3.3Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 2.84Å |
| 89 | Q | 92.6 | Very high | 92.2 | Very high | 113 Ų | 113 | 109.7 Ų | 109.7 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 177.2 | -62.4 | -63.8 | 3 | 0 | 0 | 112.7 | N85 R87 A93 | N85-Q89 WeakPolarHBondContact O-CG 3.49Å; N85-Q89 PolarHBondContact O-N 2.94Å; R87-Q89 VanDerWaalsContact C-N 3.32Å; R87-Q89 PolarHBondContact O-N 3.4Å; Q89-A93 WeakPolarHBondContact O-CB 3.44Å; Q89-A93 PolarHBondContact O-N 3.4Å; Q89-A93 VanDerWaalsContact O-N 3.1Å |
| 90 | R | 94.2 | Very high | 91.9 | Very high | 115 Ų | 115 | 111.5 Ų | 111.5 | 43% | 0.434 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 177 | -81.1 | -179.1 | -77.3 | -178.8 | -10.9 | 112.9 | S86 R87 L88 A93 R94 | S86-R90 PolarHBondContact O-NE 3.07Å; S86-R90 PolarHBondContact OG-NH2 3.04Å; R87-R90 WeakPolarHBondContact O-CB 3.36Å; R87-R90 PolarHBondContact O-N 3.45Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3Å; R90-A93 PolarHBondContact O-N 3.42Å; R90-R94 WeakPolarHBondContact O-CG 3.28Å |
| 91 | E | 94.8 | Very high | 91.6 | Very high | 86 Ų | 86 | 112.2 Ų | 112.2 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.3 | -34.1 | 175.5 | -54.5 | -49 | 153 | 0 | 0 | 111.6 | R87 L88 A93 R94 | R87-E91 PolarHBondContact O-N 3.41Å; L88-E91 PolarHBondContact O-N 2.96Å; E91-A93 VanDerWaalsContact C-N 3.29Å; E91-A93 PolarHBondContact O-N 3.1Å; E91-R94 VanDerWaalsContact CD-NH1 3.32Å; E91-R94 PolarHBondContact O-N 2.88Å; E91-R94 IonicContact OE1-NH1 3.07Å; E91-R94 PolarHBondContact OE1-NH1 2.95Å; E91-R94 VanDerWaalsContact OE2-CD 3.25Å; E91-R94 WeakPolarHBondContact OE2-CD 3.44Å; E91-R94 IonicContact OE2-CZ 3.76Å; E91-R94 IonicContact OE2-NE 3.94Å; E91-R94 IonicContact OE2-NH1 2.79Å; E91-R94 PolarHBondContact OE2-NH1 3.21Å |
| 92 | R | 91.4 | Very high | 91.4 | Very high | 150 Ų | 150 | 117.8 Ų | 117.8 | 57% | 0.566 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.7 | -30.3 | 171.5 | -76.9 | 175.9 | 176.7 | -179.5 | -2 | 113.8 | L88 R94 | L88-R92 HydrophobicContact CD1-CG 4.49Å; L88-R92 WeakPolarHBondContact O-CB 3.31Å; L88-R92 VanDerWaalsContact O-CG 3.3Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 2.84Å; R92-R94 VanDerWaalsContact C-N 3.28Å |
| 93 | A | 88.2 | Confident | 91.1 | Very high | 83 Ų | 83 | 114.1 Ų | 114.1 | 69% | 0.686 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 2.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q89 R90 E91 | Q89-A93 WeakPolarHBondContact O-CB 3.44Å; Q89-A93 PolarHBondContact O-N 3.4Å; Q89-A93 VanDerWaalsContact O-N 3.1Å; R90-A93 PolarHBondContact O-N 3.42Å; E91-A93 VanDerWaalsContact C-N 3.29Å; E91-A93 PolarHBondContact O-N 3.1Å |
| 94 | R | 86.1 | Confident | 90.7 | Very high | 190 Ų | 190 | 118.8 Ų | 118.8 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -2.1 | 175.5 | -77.2 | 168.9 | 159.7 | 178.4 | -7.5 | 113.3 | R90 E91 R92 | R90-R94 WeakPolarHBondContact O-CG 3.28Å; E91-R94 VanDerWaalsContact CD-NH1 3.32Å; E91-R94 PolarHBondContact O-N 2.88Å; E91-R94 IonicContact OE1-NH1 3.07Å; E91-R94 PolarHBondContact OE1-NH1 2.95Å; E91-R94 VanDerWaalsContact OE2-CD 3.25Å; E91-R94 WeakPolarHBondContact OE2-CD 3.44Å; E91-R94 IonicContact OE2-CZ 3.76Å; E91-R94 IonicContact OE2-NE 3.94Å; E91-R94 IonicContact OE2-NH1 2.79Å; E91-R94 PolarHBondContact OE2-NH1 3.21Å; R92-R94 VanDerWaalsContact C-N 3.28Å |
| 95 | I | 65.6 | Low | 90.2 | Very high | 205 Ų | 205 | 115.8 Ų | 115.8 | 100% | 1.051 | 55% | 0.547 | S | S | * | . | trans | -111 | 0 | 177.8 | -56.9 | 173.6 | 0 | 0 | 0 | 107.2 |
Retrieved 95 of 95 residues in 125 ms
(Link to these results)