| 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 | R | 37.9 | Very low | 38.9 | Very low | 301 Ų | 301 | 159.1 Ų | 159.1 | 100% | 1.136 | 82% | 0.82 | S | S | * | * | 0 | 120.1 | 0 | -74.1 | 178 | 173.5 | 171.5 | -3 | 106 | |||||
| 2 | E | 36.8 | Very low | 38.9 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | cis | -160.6 | 142.8 | 3 | -177.8 | 164.5 | 105.1 | 0 | 0 | 105.2 | A4 | E2-A4 PolarHBondContact O-N 3.46Š| ||
| 3 | K | 40.5 | Very low | 38.8 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 122.5 | -174.2 | -70.9 | 179 | 174 | -174.3 | 0 | 110.6 | ||||
| 4 | A | 40.4 | Very low | 38.9 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -94.1 | 106.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | E2 Q6 | E2-A4 PolarHBondContact O-N 3.46Å; A4-Q6 PolarHBondContact O-N 3.48Å | ||
| 5 | A | 41.9 | Very low | 39.5 | Very low | 93 Ų | 93 | 151.5 Ų | 151.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -56.3 | 116.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R7 | A5-R7 VanDerWaalsContact C-N 3.26Å; A5-R7 PolarHBondContact O-N 2.88Å | ||
| 6 | Q | 37 | Very low | 40 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -62.9 | 92.3 | 160 | -156.6 | 95.3 | 52.1 | 0 | 0 | 106.8 | A4 T8 | A4-Q6 PolarHBondContact O-N 3.48Å; Q6-T8 VanDerWaalsContact C-N 3.25Å; Q6-T8 PolarHBondContact O-N 2.92Å; Q6-T8 PolarHBondContact O-OG1 3.49Å | ||
| 7 | R | 41.7 | Very low | 40.4 | Very low | 209 Ų | 209 | 149.8 Ų | 149.8 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | trans | -72.8 | 88.1 | 174 | -172.2 | 172.2 | 179.3 | 174.1 | -0 | 107.6 | A5 M9 | A5-R7 VanDerWaalsContact C-N 3.26Å; A5-R7 PolarHBondContact O-N 2.88Å; R7-M9 PolarHBondContact O-N 3.06Å | ||
| 8 | T | 38.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -52.6 | 106.2 | 166.6 | -35.9 | 0 | 0 | 0 | 0 | 107.7 | Q6 A10 | Q6-T8 VanDerWaalsContact C-N 3.25Å; Q6-T8 PolarHBondContact O-N 2.92Å; Q6-T8 PolarHBondContact O-OG1 3.49Å; T8-A10 PolarHBondContact O-N 3.35Å | ||
| 9 | M | 33.8 | Very low | 41 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | trans | -74.7 | 90.1 | 163.2 | -68.3 | -64.8 | -176.3 | 0 | 0 | 105.6 | R7 V11 | R7-M9 PolarHBondContact O-N 3.06Å; M9-V11 PolarHBondContact O-N 3.34Å | ||
| 10 | A | 36.7 | Very low | 41.5 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | -52.6 | 110.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107 | T8 S12 | T8-A10 PolarHBondContact O-N 3.35Å; A10-S12 PolarHBondContact O-N 3.4Å | ||
| 11 | V | 42.6 | Very low | 42.3 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | -60.8 | 98.4 | 159 | 149.1 | 0 | 0 | 0 | 0 | 104.9 | M9 Q13 | M9-V11 PolarHBondContact O-N 3.34Å; V11-Q13 HydrophobicContact CG1-CG 3.99Å; V11-Q13 PolarHBondContact O-N 2.92Å | ||
| 12 | S | 39.5 | Very low | 43.7 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -64.9 | 86.7 | 165.3 | -49 | 0 | 0 | 0 | 0 | 106.3 | A10 P14 | A10-S12 PolarHBondContact O-N 3.4Å; S12-P14 WeakPolarHBondContact O-CD 3.34Å | ||
| 13 | Q | 37.8 | Very low | 45.6 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 55% | 0.547 | 70% | 0.7 | S | S | . | * | trans | -56.2 | 128 | 160 | -66.9 | 179.2 | -65.4 | 0 | 0 | 106.2 | V11 R15 | V11-Q13 HydrophobicContact CG1-CG 3.99Å; V11-Q13 PolarHBondContact O-N 2.92Å; Q13-R15 HydrophobicContact CB-CG 4.05Å; Q13-R15 PolarHBondContact O-N 3.15Å | ||
| 14 | P | 40.2 | Very low | 47.9 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | trans | -70 | 85.4 | 154.7 | 29.6 | -26.8 | 0 | 0 | 0 | 105.7 | S12 V16 | S12-P14 WeakPolarHBondContact O-CD 3.34Å; P14-V16 HydrophobicContact CB-CG2 4.22Å; P14-V16 PolarHBondContact O-N 3.4Å | ||
| 15 | R | 46.8 | Very low | 50.4 | Low | 178 Ų | 178 | 120.6 Ų | 120.6 | 67% | 0.672 | 65% | 0.652 | S | S | * | * | trans | -71.5 | 85.8 | 158.6 | -70 | -169.8 | -159.1 | -139.3 | 3.9 | 106 | Q13 E17 | Q13-R15 HydrophobicContact CB-CG 4.05Å; Q13-R15 PolarHBondContact O-N 3.15Å; R15-E17 PolarHBondContact O-N 3.37Å; R15-E17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | V | 47.5 | Very low | 52.8 | Low | 102 Ų | 102 | 122.8 Ų | 122.8 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | trans | -85.5 | 66.2 | 164.2 | -167.8 | 0 | 0 | 0 | 0 | 106.7 | P14 | P14-V16 HydrophobicContact CB-CG2 4.22Å; P14-V16 PolarHBondContact O-N 3.4Å | ||
| 17 | E | 47 | Very low | 55.5 | Low | 171 Ų | 171 | 117.4 Ų | 117.4 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | trans | -109.6 | 63 | 163.6 | -71.8 | 178.9 | 145.6 | 0 | 0 | 106.3 | R15 | R15-E17 PolarHBondContact O-N 3.37Å; R15-E17 VanDerWaalsContact O-N 3.15Å | ||
| 18 | K | 44.1 | Very low | 58 | Low | 170 Ų | 170 | 109 Ų | 109 | 74% | 0.739 | 60% | 0.602 | S | S | * | * | trans | -147.2 | 15.4 | 172.2 | -148.4 | 179.1 | 176.5 | 176.4 | 0 | 114.2 | ||||
| 19 | D | 48.3 | Very low | 60.7 | Low | 83 Ų | 83 | 106.1 Ų | 106.1 | 44% | 0.444 | 58% | 0.584 | S | S | . | * | trans | -102.3 | -6.7 | -177.1 | -104.1 | -57.6 | 0 | 0 | 0 | 114.1 | E21 D22 | D19-E21 PolarHBondContact O-N 3.27Å; D19-D22 PolarHBondContact O-N 3.42Å | ||
| 20 | S | 52.3 | Low | 63.6 | Low | 112 Ų | 112 | 104.4 Ų | 104.4 | 78% | 0.783 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -71.7 | -30.8 | -175.1 | -176.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 21 | E | 57.2 | Low | 66.3 | Low | 166 Ų | 166 | 103.4 Ų | 103.4 | 78% | 0.776 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -77.7 | -26.7 | -179.3 | -71.9 | 177.5 | 122.6 | 0 | 0 | 111.8 | D19 C23 S24 | D19-E21 PolarHBondContact O-N 3.27Å; E21-C23 PolarHBondContact O-N 3.46Å; E21-S24 PolarHBondContact O-N 2.93Å |
| 22 | D | 66.7 | Low | 68.7 | Low | 79 Ų | 79 | 98.2 Ų | 98.2 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -71.9 | -12 | -176.1 | -94.2 | -42.3 | 0 | 0 | 0 | 113.9 | D19 K55 | D19-D22 PolarHBondContact O-N 3.42Å; D22-K55 WeakPolarHBondContact O-CE 3.38Å; D22-K55 PolarHBondContact O-NZ 2.91Å |
| 23 | C | 78.4 | Confident | 71.3 | Confident | 52 Ų | 52 | 97.2 Ų | 97.2 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -108.1 | 8.2 | 178.2 | -68 | 0 | 0 | 0 | 0 | 114.4 | E21 L25 | E21-C23 PolarHBondContact O-N 3.46Å; C23-L25 PolarHBondContact O-N 3.43Å |
| 24 | S | 88.4 | Confident | 73.9 | Confident | 59 Ų | 59 | 96.3 Ų | 96.3 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | trans | -65.2 | 118.4 | -179.4 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | E21 P27 | E21-S24 PolarHBondContact O-N 2.93Å; S24-P27 WeakPolarHBondContact OG-CD 3.33Å | ||
| 25 | L | 92.3 | Very high | 76.3 | Confident | 61 Ų | 61 | 91.7 Ų | 91.7 | 32% | 0.319 | 48% | 0.476 | S | S | . | . | trans | -100.9 | -19.2 | 179.6 | -57.1 | -179.7 | 0 | 0 | 0 | 112.9 | C23 L28 V29 L52 K55 I56 | C23-L25 PolarHBondContact O-N 3.43Å; L25-L28 WeakPolarHBondContact O-CB 3.46Å; L25-L28 PolarHBondContact O-N 3.14Å; L25-L28 VanDerWaalsContact O-N 3.13Å; L25-V29 WeakPolarHBondContact O-CG2 3.34Å; L25-V29 PolarHBondContact O-N 2.99Å; L25-L52 HydrophobicContact CB-CD1 4.29Å; L25-L52 HydrophobicContact CD2-CD1 4.31Å; L25-K55 HydrophobicContact CD2-CB 4.12Å; L25-K55 HydrophobicContact CD2-CG 3.59Å; L25-I56 HydrophobicContact CD1-CG1 3.91Å; L25-I56 HydrophobicContact CD2-CG1 4.16Å | ||
| 26 | L | 93.3 | Very high | 78.2 | Confident | 139 Ų | 139 | 88.9 Ų | 88.9 | 73% | 0.728 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -57.9 | -42.7 | -173.6 | -80.6 | 167.5 | 0 | 0 | 0 | 114 | L28 V29 H30 | L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 3.28Å; L26-V29 PolarHBondContact O-N 3.4Å; L26-H30 WeakPolarHBondContact O-CB 3.44Å; L26-H30 PolarHBondContact O-N 3.41Å |
| 27 | P | 93.3 | Very high | 80.1 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 47% | 0.468 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 175.7 | -24.9 | 35.3 | 0 | 0 | 0 | 112.6 | S24 H30 D31 | S24-P27 WeakPolarHBondContact OG-CD 3.33Å; P27-H30 WeakPolarHBondContact O-CB 3.35Å; P27-H30 PolarHBondContact O-N 2.89Å; P27-D31 PolarHBondContact O-N 3.13Å |
| 28 | L | 93.2 | Very high | 81.8 | Confident | 32 Ų | 32 | 89.3 Ų | 89.3 | 17% | 0.168 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 178.8 | -66.5 | 165.4 | 0 | 0 | 0 | 111.7 | L25 L26 H30 D31 V32 K51 L52 K55 | L25-L28 WeakPolarHBondContact O-CB 3.46Å; L25-L28 PolarHBondContact O-N 3.14Å; L25-L28 VanDerWaalsContact O-N 3.13Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 3.28Å; L28-H30 VanDerWaalsContact C-N 3.35Å; L28-D31 PolarHBondContact O-N 3.3Å; L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 3.12Å; L28-K51 HydrophobicContact CD2-CB 4.03Å; L28-L52 HydrophobicContact CB-CB 4.4Å; L28-L52 HydrophobicContact CB-CD1 3.98Å; L28-L52 HydrophobicContact CD1-CD1 4.44Å; L28-K55 HydrophobicContact CD1-CB 3.68Å; L28-K55 HydrophobicContact CD1-CG 3.76Å |
| 29 | V | 95.3 | Very high | 83.1 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 35% | 0.352 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | L25 L26 D31 V32 I33 L52 | L25-V29 WeakPolarHBondContact O-CG2 3.34Å; L25-V29 PolarHBondContact O-N 2.99Å; L26-V29 PolarHBondContact O-N 3.4Å; V29-D31 VanDerWaalsContact C-N 3.34Å; V29-D31 PolarHBondContact O-N 3.42Å; V29-V32 PolarHBondContact O-N 2.64Å; V29-I33 HydrophobicContact CG1-CD1 4Å; V29-I33 WeakPolarHBondContact O-CG1 3.33Å; V29-I33 PolarHBondContact O-N 3.43Å; V29-I33 VanDerWaalsContact O-N 3.12Å; V29-L52 HydrophobicContact CG2-CD1 4.19Å; V29-L52 HydrophobicContact CG2-CD2 4.16Å |
| 30 | H | 95.3 | Very high | 84.1 | Confident | 109 Ų | 109 | 90.1 Ų | 90.1 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.6 | 167.4 | -87.5 | 0 | 0 | 0 | 111.8 | L26 P27 L28 I33 K34 | L26-H30 WeakPolarHBondContact O-CB 3.44Å; L26-H30 PolarHBondContact O-N 3.41Å; P27-H30 WeakPolarHBondContact O-CB 3.35Å; P27-H30 PolarHBondContact O-N 2.89Å; L28-H30 VanDerWaalsContact C-N 3.35Å; H30-I33 PolarHBondContact O-N 2.93Å; H30-K34 WeakPolarHBondContact O-CB 3.29Å; H30-K34 PolarHBondContact O-N 3.46Å |
| 31 | D | 93 | Very high | 85.1 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 31% | 0.31 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | -180 | -66.7 | -21 | 0 | 0 | 0 | 111.9 | P27 L28 V29 K34 C35 E48 | P27-D31 PolarHBondContact O-N 3.13Å; L28-D31 PolarHBondContact O-N 3.3Å; V29-D31 VanDerWaalsContact C-N 3.34Å; V29-D31 PolarHBondContact O-N 3.42Å; D31-K34 PolarHBondContact O-N 3.03Å; D31-C35 PolarHBondContact O-N 3.45Å; D31-C35 PolarHBondContact O-SG 3.24Å; D31-C35 VanDerWaalsContact O-SG 3.4Å; D31-E48 HydrophobicContact CB-CG 4.3Å |
| 32 | V | 93.6 | Very high | 85.9 | Confident | 17 Ų | 17 | 86 Ų | 86 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 171.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L28 V29 K34 C35 M36 V45 E48 | L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 3.12Å; V29-V32 PolarHBondContact O-N 2.64Å; V32-K34 VanDerWaalsContact C-N 3.32Å; V32-K34 PolarHBondContact O-N 3.23Å; V32-C35 PolarHBondContact O-N 3.14Å; V32-M36 HydrophobicContact CG1-SD 4.15Å; V32-M36 WeakPolarHBondContact O-CG 3.47Å; V32-M36 PolarHBondContact O-N 3.12Å; V32-V45 HydrophobicContact CG1-CG1 4.44Å; V32-E48 HydrophobicContact CB-CB 4.43Å; V32-E48 HydrophobicContact CG2-CB 3.57Å |
| 33 | I | 92.9 | Very high | 86.5 | Confident | 89 Ų | 89 | 89.9 Ų | 89.9 | 46% | 0.456 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | -180 | -65.1 | 164.7 | 0 | 0 | 0 | 110.2 | V29 H30 C35 M36 D37 | V29-I33 HydrophobicContact CG1-CD1 4Å; V29-I33 WeakPolarHBondContact O-CG1 3.33Å; V29-I33 PolarHBondContact O-N 3.43Å; V29-I33 VanDerWaalsContact O-N 3.12Å; H30-I33 PolarHBondContact O-N 2.93Å; I33-C35 VanDerWaalsContact C-N 3.34Å; I33-C35 PolarHBondContact O-N 3.29Å; I33-M36 WeakPolarHBondContact O-CB 3.46Å; I33-M36 PolarHBondContact O-N 3.47Å; I33-M36 VanDerWaalsContact O-N 3.14Å; I33-D37 PolarHBondContact O-N 3.46Å |
| 34 | K | 92.3 | Very high | 86.9 | Confident | 97 Ų | 97 | 90.7 Ų | 90.7 | 42% | 0.422 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 179.1 | -175.6 | 180 | 176.1 | -172.8 | 0 | 112.9 | H30 D31 V32 K38 | H30-K34 WeakPolarHBondContact O-CB 3.29Å; H30-K34 PolarHBondContact O-N 3.46Å; D31-K34 PolarHBondContact O-N 3.03Å; V32-K34 VanDerWaalsContact C-N 3.32Å; V32-K34 PolarHBondContact O-N 3.23Å; K34-K38 HydrophobicContact CG-CD 4.45Å; K34-K38 WeakPolarHBondContact O-CG 3.5Å; K34-K38 PolarHBondContact O-N 3.26Å |
| 35 | C | 90.4 | Very high | 87 | Confident | 21 Ų | 21 | 89.2 Ų | 89.2 | 14% | 0.142 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 173.3 | -73.8 | 0 | 0 | 0 | 0 | 111.5 | D31 V32 I33 D37 K38 D39 D44 V45 | D31-C35 PolarHBondContact O-N 3.45Å; D31-C35 PolarHBondContact O-SG 3.24Å; D31-C35 VanDerWaalsContact O-SG 3.4Å; V32-C35 PolarHBondContact O-N 3.14Å; I33-C35 VanDerWaalsContact C-N 3.34Å; I33-C35 PolarHBondContact O-N 3.29Å; C35-D37 VanDerWaalsContact C-N 3.27Å; C35-D37 PolarHBondContact O-N 3.01Å; C35-K38 PolarHBondContact O-N 3.03Å; C35-K38 VanDerWaalsContact O-N 3.15Å; C35-D39 PolarHBondContact O-N 3.21Å; C35-D44 HydrophobicContact CB-CB 4.26Å; C35-V45 HydrophobicContact CB-CG2 3.82Å |
| 36 | M | 87.7 | Confident | 86.9 | Confident | 119 Ų | 119 | 91.8 Ų | 91.8 | 59% | 0.586 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.1 | -35.9 | 176.3 | -70.9 | 176.4 | 65.4 | 0 | 0 | 112.4 | V32 I33 K38 V45 | V32-M36 HydrophobicContact CG1-SD 4.15Å; V32-M36 WeakPolarHBondContact O-CG 3.47Å; V32-M36 PolarHBondContact O-N 3.12Å; I33-M36 WeakPolarHBondContact O-CB 3.46Å; I33-M36 PolarHBondContact O-N 3.47Å; I33-M36 VanDerWaalsContact O-N 3.14Å; M36-K38 VanDerWaalsContact C-N 3.3Å; M36-K38 PolarHBondContact O-N 3.36Å; M36-V45 HydrophobicContact CB-CG2 4.29Å; M36-V45 HydrophobicContact CG-CB 4.39Å; M36-V45 HydrophobicContact CG-CG1 3.74Å; M36-V45 HydrophobicContact CG-CG2 3.66Å; M36-V45 HydrophobicContact SD-CG1 4.5Å |
| 37 | D | 86.4 | Confident | 86.9 | Confident | 135 Ų | 135 | 90.3 Ų | 90.3 | 72% | 0.722 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74.1 | -20 | 178.4 | -68.6 | -24.1 | 0 | 0 | 0 | 113.3 | I33 C35 | I33-D37 PolarHBondContact O-N 3.46Å; C35-D37 VanDerWaalsContact C-N 3.27Å; C35-D37 PolarHBondContact O-N 3.01Å |
| 38 | K | 83.6 | Confident | 86.9 | Confident | 147 Ų | 147 | 87.9 Ų | 87.9 | 64% | 0.639 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -106.7 | -37.3 | -173.3 | -69.6 | -177.4 | 178.1 | -159.1 | 0 | 114.2 | K34 C35 M36 | K34-K38 HydrophobicContact CG-CD 4.45Å; K34-K38 WeakPolarHBondContact O-CG 3.5Å; K34-K38 PolarHBondContact O-N 3.26Å; C35-K38 PolarHBondContact O-N 3.03Å; C35-K38 VanDerWaalsContact O-N 3.15Å; M36-K38 VanDerWaalsContact C-N 3.3Å; M36-K38 PolarHBondContact O-N 3.36Å |
| 39 | D | 71.8 | Confident | 87 | Confident | 62 Ų | 62 | 90.3 Ų | 90.3 | 33% | 0.332 | 45% | 0.453 | S | S | . | . | trans | -114.6 | 105.3 | -171.8 | -68.8 | -47.8 | 0 | 0 | 0 | 112.4 | C35 D41 G42 D44 | C35-D39 PolarHBondContact O-N 3.21Å; D39-D41 VanDerWaalsContact C-N 3.29Å; D39-D41 PolarHBondContact O-N 3.48Å; D39-G42 PolarHBondContact O-N 2.66Å; D39-D44 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 40 | K | 69.9 | Low | 87.1 | Confident | 209 Ų | 209 | 90.9 Ų | 90.9 | 91% | 0.909 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -21.3 | 176.9 | -65.3 | -171.8 | 179.8 | 180 | 0 | 113.6 | G42 | K40-G42 VanDerWaalsContact C-N 3.34Š|
| 41 | D | 71.7 | Confident | 87.1 | Confident | 160 Ų | 160 | 90.1 Ų | 90.1 | 86% | 0.856 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.5 | 179.2 | -58.7 | -48.7 | 0 | 0 | 0 | 112.7 | D39 Q43 | D39-D41 VanDerWaalsContact C-N 3.29Å; D39-D41 PolarHBondContact O-N 3.48Å; D41-Q43 VanDerWaalsContact C-N 3.27Å; D41-Q43 PolarHBondContact O-N 2.95Å; D41-Q43 VanDerWaalsContact O-N 3.14Å |
| 42 | G | 74.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 88.5 Ų | 88.5 | 32% | 0.32 | 44% | 0.439 | S | S | . | . | trans | 72.6 | 2.5 | 165 | 0 | 0 | 0 | 0 | 0 | 117.2 | D39 K40 V45 H46 | D39-G42 PolarHBondContact O-N 2.66Å; K40-G42 VanDerWaalsContact C-N 3.34Å; G42-V45 PolarHBondContact O-N 3.4Å; G42-H46 PolarHBondContact O-N 3.42Å; G42-H46 VanDerWaalsContact O-N 3.12Å | ||
| 43 | Q | 80.4 | Confident | 87.3 | Confident | 160 Ų | 160 | 94.5 Ų | 94.5 | 75% | 0.748 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.3 | -47.1 | -177.4 | -168.9 | 179.8 | -24.4 | 0 | 0 | 112.5 | D41 V45 H46 Q47 | D41-Q43 VanDerWaalsContact C-N 3.27Å; D41-Q43 PolarHBondContact O-N 2.95Å; D41-Q43 VanDerWaalsContact O-N 3.14Å; Q43-V45 VanDerWaalsContact C-N 3.32Å; Q43-V45 PolarHBondContact O-N 3.21Å; Q43-H46 WeakPolarHBondContact O-CB 3.47Å; Q43-H46 PolarHBondContact O-N 3.44Å; Q43-Q47 PolarHBondContact O-N 3.31Å |
| 44 | D | 84.9 | Confident | 87.5 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.3 | -33.6 | 179.2 | -77.2 | 13.1 | 0 | 0 | 0 | 111.7 | C35 D39 H46 Q47 E48 | C35-D44 HydrophobicContact CB-CB 4.26Å; D39-D44 WeakPolarHBondContact OD2-CB 3.34Å; D44-H46 VanDerWaalsContact C-N 3.33Å; D44-H46 PolarHBondContact O-N 3.26Å; D44-Q47 PolarHBondContact O-N 2.94Å; D44-E48 PolarHBondContact O-N 2.99Å |
| 45 | V | 91 | Very high | 87.6 | Confident | 27 Ų | 27 | 92.8 Ų | 92.8 | 16% | 0.164 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 173.3 | -179.8 | 0 | 0 | 0 | 0 | 111 | V32 C35 M36 G42 Q43 Q47 E48 L49 | V32-V45 HydrophobicContact CG1-CG1 4.44Å; C35-V45 HydrophobicContact CB-CG2 3.82Å; M36-V45 HydrophobicContact CB-CG2 4.29Å; M36-V45 HydrophobicContact CG-CB 4.39Å; M36-V45 HydrophobicContact CG-CG1 3.74Å; M36-V45 HydrophobicContact CG-CG2 3.66Å; M36-V45 HydrophobicContact SD-CG1 4.5Å; G42-V45 PolarHBondContact O-N 3.4Å; Q43-V45 VanDerWaalsContact C-N 3.32Å; Q43-V45 PolarHBondContact O-N 3.21Å; V45-Q47 VanDerWaalsContact C-N 3.31Å; V45-Q47 PolarHBondContact O-N 3.1Å; V45-E48 PolarHBondContact O-N 3.18Å; V45-L49 VanDerWaalsContact O-CB 3.29Å; V45-L49 WeakPolarHBondContact O-CB 3.39Å; V45-L49 PolarHBondContact O-N 3.47Å |
| 46 | H | 91.6 | Very high | 87.8 | Confident | 116 Ų | 116 | 95.1 Ų | 95.1 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 178.1 | -170.4 | 78.7 | 0 | 0 | 0 | 111.5 | G42 Q43 D44 L49 M50 | G42-H46 PolarHBondContact O-N 3.42Å; G42-H46 VanDerWaalsContact O-N 3.12Å; Q43-H46 WeakPolarHBondContact O-CB 3.47Å; Q43-H46 PolarHBondContact O-N 3.44Å; D44-H46 VanDerWaalsContact C-N 3.33Å; D44-H46 PolarHBondContact O-N 3.26Å; H46-L49 PolarHBondContact O-N 3.15Å; H46-M50 WeakPolarHBondContact O-CG 2.94Å; H46-M50 PolarHBondContact O-N 3.44Å |
| 47 | Q | 92.7 | Very high | 88.2 | Confident | 107 Ų | 107 | 93.1 Ų | 93.1 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 178.1 | -171 | -178.9 | 18.1 | 0 | 0 | 112 | Q43 D44 V45 L49 M50 K51 | Q43-Q47 PolarHBondContact O-N 3.31Å; D44-Q47 PolarHBondContact O-N 2.94Å; V45-Q47 VanDerWaalsContact C-N 3.31Å; V45-Q47 PolarHBondContact O-N 3.1Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 3Å; Q47-M50 PolarHBondContact O-N 3.24Å; Q47-K51 PolarHBondContact O-N 3.41Å; Q47-K51 VanDerWaalsContact O-N 3.1Å |
| 48 | E | 93.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 91.5 Ų | 91.5 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.7 | -68.5 | -51.3 | 133.7 | 0 | 0 | 112.2 | D31 V32 D44 V45 M50 K51 L52 | D31-E48 HydrophobicContact CB-CG 4.3Å; V32-E48 HydrophobicContact CB-CB 4.43Å; V32-E48 HydrophobicContact CG2-CB 3.57Å; D44-E48 PolarHBondContact O-N 2.99Å; V45-E48 PolarHBondContact O-N 3.18Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.91Å; E48-K51 WeakPolarHBondContact O-CB 3.47Å; E48-K51 PolarHBondContact O-N 3.46Å; E48-K51 IonicContact OE1-NZ 2.64Å; E48-K51 PolarHBondContact OE1-NZ 3.31Å; E48-K51 WeakPolarHBondContact OE2-CD 3.35Å; E48-K51 IonicContact OE2-NZ 3.74Å; E48-L52 PolarHBondContact O-N 2.8Å |
| 49 | L | 94.9 | Very high | 88.9 | Confident | 82 Ų | 82 | 85.2 Ų | 85.2 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 174.7 | -168.6 | 68.4 | 0 | 0 | 0 | 112 | V45 H46 Q47 L52 K53 | V45-L49 VanDerWaalsContact O-CB 3.29Å; V45-L49 WeakPolarHBondContact O-CB 3.39Å; V45-L49 PolarHBondContact O-N 3.47Å; H46-L49 PolarHBondContact O-N 3.15Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 3Å; L49-L52 PolarHBondContact O-N 2.99Å; L49-K53 WeakPolarHBondContact O-CB 3.5Å; L49-K53 PolarHBondContact O-N 2.97Å |
| 50 | M | 96.2 | Very high | 90 | Very high | 71 Ų | 71 | 89.8 Ų | 89.8 | 35% | 0.35 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 174.4 | -72.7 | -55.8 | 115.7 | 0 | 0 | 112.3 | H46 Q47 E48 K53 T54 | H46-M50 WeakPolarHBondContact O-CG 2.94Å; H46-M50 PolarHBondContact O-N 3.44Å; Q47-M50 PolarHBondContact O-N 3.24Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.91Å; M50-K53 HydrophobicContact SD-CD 4.47Å; M50-T54 WeakPolarHBondContact O-CB 3.49Å; M50-T54 PolarHBondContact O-N 3.41Å; M50-T54 PolarHBondContact O-OG1 2.96Å |
| 51 | K | 95.1 | Very high | 91.1 | Very high | 92 Ų | 92 | 84.4 Ų | 84.4 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 173.9 | -68.8 | 171.6 | -176.7 | 170.4 | 0 | 111 | L28 Q47 E48 T54 K55 | L28-K51 HydrophobicContact CD2-CB 4.03Å; Q47-K51 PolarHBondContact O-N 3.41Å; Q47-K51 VanDerWaalsContact O-N 3.1Å; E48-K51 WeakPolarHBondContact O-CB 3.47Å; E48-K51 PolarHBondContact O-N 3.46Å; E48-K51 IonicContact OE1-NZ 2.64Å; E48-K51 PolarHBondContact OE1-NZ 3.31Å; E48-K51 WeakPolarHBondContact OE2-CD 3.35Å; E48-K51 IonicContact OE2-NZ 3.74Å; K51-T54 PolarHBondContact O-N 3.21Å; K51-K55 WeakPolarHBondContact O-CB 3.41Å; K51-K55 PolarHBondContact O-N 2.94Å |
| 52 | L | 95.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 79.8 Ų | 79.8 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 176.6 | -180 | 60.9 | 0 | 0 | 0 | 111.8 | L25 L28 V29 E48 L49 T54 K55 I56 | L25-L52 HydrophobicContact CB-CD1 4.29Å; L25-L52 HydrophobicContact CD2-CD1 4.31Å; L28-L52 HydrophobicContact CB-CB 4.4Å; L28-L52 HydrophobicContact CB-CD1 3.98Å; L28-L52 HydrophobicContact CD1-CD1 4.44Å; V29-L52 HydrophobicContact CG2-CD1 4.19Å; V29-L52 HydrophobicContact CG2-CD2 4.16Å; E48-L52 PolarHBondContact O-N 2.8Å; L49-L52 PolarHBondContact O-N 2.99Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 2.96Å; L52-K55 PolarHBondContact O-N 3.4Å; L52-I56 HydrophobicContact CD1-CD1 4.1Å; L52-I56 HydrophobicContact CD1-CG1 4.39Å; L52-I56 HydrophobicContact CG-CD1 4.01Å; L52-I56 WeakPolarHBondContact O-CG1 3.45Å; L52-I56 PolarHBondContact O-N 2.98Å |
| 53 | K | 96.5 | Very high | 92.9 | Very high | 143 Ų | 143 | 82.7 Ų | 82.7 | 62% | 0.622 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -56.4 | -47.8 | 176.4 | -179.8 | -177.5 | 176.1 | -176.6 | 0 | 111.7 | L49 M50 K55 I56 Q57 | L49-K53 WeakPolarHBondContact O-CB 3.5Å; L49-K53 PolarHBondContact O-N 2.97Å; M50-K53 HydrophobicContact SD-CD 4.47Å; K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.21Å; K53-I56 PolarHBondContact O-N 3.01Å; K53-Q57 WeakPolarHBondContact O-CB 3.41Å; K53-Q57 PolarHBondContact O-N 2.84Å |
| 54 | T | 95.9 | Very high | 93.5 | Very high | 97 Ų | 97 | 79.2 Ų | 79.2 | 60% | 0.595 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 179 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | M50 K51 L52 Q57 K58 | M50-T54 WeakPolarHBondContact O-CB 3.49Å; M50-T54 PolarHBondContact O-N 3.41Å; M50-T54 PolarHBondContact O-OG1 2.96Å; K51-T54 PolarHBondContact O-N 3.21Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 2.96Å; T54-Q57 PolarHBondContact O-N 2.93Å; T54-K58 PolarHBondContact O-N 3.37Å |
| 55 | K | 94.8 | Very high | 93.8 | Very high | 52 Ų | 52 | 82.1 Ų | 82.1 | 23% | 0.226 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 179.1 | -169.1 | 71.3 | 176.3 | -176.8 | 0 | 112 | D22 L25 L28 K51 L52 K53 Q57 K58 A59 | D22-K55 WeakPolarHBondContact O-CE 3.38Å; D22-K55 PolarHBondContact O-NZ 2.91Å; L25-K55 HydrophobicContact CD2-CB 4.12Å; L25-K55 HydrophobicContact CD2-CG 3.59Å; L28-K55 HydrophobicContact CD1-CB 3.68Å; L28-K55 HydrophobicContact CD1-CG 3.76Å; K51-K55 WeakPolarHBondContact O-CB 3.41Å; K51-K55 PolarHBondContact O-N 2.94Å; L52-K55 PolarHBondContact O-N 3.4Å; K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.21Å; K55-Q57 VanDerWaalsContact C-N 3.34Å; K55-K58 PolarHBondContact O-N 3.42Å; K55-A59 WeakPolarHBondContact O-CB 3.38Å; K55-A59 PolarHBondContact O-N 3.25Å |
| 56 | I | 95.3 | Very high | 93.8 | Very high | 70 Ų | 70 | 85.8 Ų | 85.8 | 36% | 0.359 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 174.7 | -69.3 | 167.3 | 0 | 0 | 0 | 110.5 | L25 L52 K53 K58 A59 R60 | L25-I56 HydrophobicContact CD1-CG1 3.91Å; L25-I56 HydrophobicContact CD2-CG1 4.16Å; L52-I56 HydrophobicContact CD1-CD1 4.1Å; L52-I56 HydrophobicContact CD1-CG1 4.39Å; L52-I56 HydrophobicContact CG-CD1 4.01Å; L52-I56 WeakPolarHBondContact O-CG1 3.45Å; L52-I56 PolarHBondContact O-N 2.98Å; K53-I56 PolarHBondContact O-N 3.01Å; I56-K58 PolarHBondContact O-N 2.86Å; I56-A59 PolarHBondContact O-N 3.45Å; I56-R60 HydrophobicContact CG2-CG 4.5Å; I56-R60 WeakPolarHBondContact O-CG 3.46Å; I56-R60 PolarHBondContact O-N 2.91Å |
| 57 | Q | 95.8 | Very high | 93.7 | Very high | 77 Ų | 77 | 86.1 Ų | 86.1 | 36% | 0.36 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | -179.5 | -175.7 | 55.1 | 31.3 | 0 | 0 | 111.6 | K53 T54 K55 A59 R60 E61 | K53-Q57 WeakPolarHBondContact O-CB 3.41Å; K53-Q57 PolarHBondContact O-N 2.84Å; T54-Q57 PolarHBondContact O-N 2.93Å; K55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; Q57-A59 PolarHBondContact O-N 3.49Å; Q57-R60 WeakPolarHBondContact O-CB 3.36Å; Q57-R60 PolarHBondContact O-N 3.37Å; Q57-R60 VanDerWaalsContact OE1-NH1 3.07Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.5Å; Q57-E61 PolarHBondContact NE2-OE1 3.34Å; Q57-E61 WeakPolarHBondContact O-CG 3.39Å; Q57-E61 PolarHBondContact O-N 3.17Å |
| 58 | K | 93.1 | Very high | 93.7 | Very high | 102 Ų | 102 | 82.3 Ų | 82.3 | 44% | 0.443 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 173.2 | -174.9 | -176.8 | 178 | -174.4 | 0 | 111.9 | T54 K55 I56 R60 E61 Q62 | T54-K58 PolarHBondContact O-N 3.37Å; K55-K58 PolarHBondContact O-N 3.42Å; I56-K58 PolarHBondContact O-N 2.86Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.91Å; K58-E61 PolarHBondContact O-N 3.32Å; K58-Q62 WeakPolarHBondContact O-CG 3.42Å; K58-Q62 PolarHBondContact O-N 2.99Å |
| 59 | A | 92.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 85.1 Ų | 85.1 | 12% | 0.124 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K55 I56 Q57 Q62 I63 | K55-A59 WeakPolarHBondContact O-CB 3.38Å; K55-A59 PolarHBondContact O-N 3.25Å; I56-A59 PolarHBondContact O-N 3.45Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; Q57-A59 PolarHBondContact O-N 3.49Å; A59-Q62 PolarHBondContact O-N 2.89Å; A59-I63 VanDerWaalsContact O-CG1 3.3Å; A59-I63 WeakPolarHBondContact O-CG1 3.36Å; A59-I63 PolarHBondContact O-N 3.04Å |
| 60 | R | 93.9 | Very high | 93.7 | Very high | 157 Ų | 157 | 88.7 Ų | 88.7 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 174.3 | -71.5 | 177.2 | 71.6 | -145.3 | 5.3 | 112.1 | I56 Q57 K58 I63 S64 | I56-R60 HydrophobicContact CG2-CG 4.5Å; I56-R60 WeakPolarHBondContact O-CG 3.46Å; I56-R60 PolarHBondContact O-N 2.91Å; Q57-R60 WeakPolarHBondContact O-CB 3.36Å; Q57-R60 PolarHBondContact O-N 3.37Å; Q57-R60 VanDerWaalsContact OE1-NH1 3.07Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.91Å; R60-I63 PolarHBondContact O-N 3.01Å; R60-S64 WeakPolarHBondContact O-CB 3.3Å; R60-S64 PolarHBondContact O-N 2.97Å |
| 61 | E | 93.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 87.5 Ų | 87.5 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.5 | -73.8 | 165.4 | -162.1 | 0 | 0 | 111.8 | Q57 K58 S64 N65 | Q57-E61 WeakPolarHBondContact CG-OE1 3.5Å; Q57-E61 PolarHBondContact NE2-OE1 3.34Å; Q57-E61 WeakPolarHBondContact O-CG 3.39Å; Q57-E61 PolarHBondContact O-N 3.17Å; K58-E61 PolarHBondContact O-N 3.32Å; E61-S64 PolarHBondContact O-N 2.91Å; E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 VanDerWaalsContact O-CG 3.24Å; E61-N65 PolarHBondContact O-N 3.35Å; E61-N65 PolarHBondContact O-ND2 3.22Å |
| 62 | Q | 91.3 | Very high | 93.7 | Very high | 64 Ų | 64 | 85.1 Ų | 85.1 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.5 | -74.1 | 175 | -47.9 | 0 | 0 | 111.9 | K58 A59 N65 M66 | K58-Q62 WeakPolarHBondContact O-CG 3.42Å; K58-Q62 PolarHBondContact O-N 2.99Å; A59-Q62 PolarHBondContact O-N 2.89Å; Q62-N65 PolarHBondContact O-N 3.24Å; Q62-M66 PolarHBondContact O-N 2.88Å; Q62-M66 VanDerWaalsContact O-N 3.17Å |
| 63 | I | 91.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 88.2 Ų | 88.2 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.2 | -67 | 164.1 | 0 | 0 | 0 | 110.5 | A59 R60 N65 M66 I69 | A59-I63 VanDerWaalsContact O-CG1 3.3Å; A59-I63 WeakPolarHBondContact O-CG1 3.36Å; A59-I63 PolarHBondContact O-N 3.04Å; R60-I63 PolarHBondContact O-N 3.01Å; I63-N65 PolarHBondContact O-N 3.49Å; I63-M66 WeakPolarHBondContact O-CB 3.47Å; I63-M66 PolarHBondContact O-N 3.07Å; I63-I69 HydrophobicContact CG2-CD1 4.18Å; I63-I69 HydrophobicContact CG2-CG1 4.32Å |
| 64 | S | 92.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 87.8 Ų | 87.8 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.5 | -29.5 | -179.7 | -170.7 | 0 | 0 | 0 | 0 | 113.1 | R60 E61 M66 | R60-S64 WeakPolarHBondContact O-CB 3.3Å; R60-S64 PolarHBondContact O-N 2.97Å; E61-S64 PolarHBondContact O-N 2.91Å; S64-M66 VanDerWaalsContact C-N 3.33Å |
| 65 | N | 91.1 | Very high | 93.8 | Very high | 130 Ų | 130 | 88.6 Ų | 88.6 | 70% | 0.695 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.8 | 177.3 | -67.6 | -36.3 | 0 | 0 | 0 | 112.6 | E61 Q62 I63 P67 | E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 VanDerWaalsContact O-CG 3.24Å; E61-N65 PolarHBondContact O-N 3.35Å; E61-N65 PolarHBondContact O-ND2 3.22Å; Q62-N65 PolarHBondContact O-N 3.24Å; I63-N65 PolarHBondContact O-N 3.49Å; N65-P67 WeakPolarHBondContact O-CD 3.38Å |
| 66 | M | 91.5 | Very high | 93.9 | Very high | 104 Ų | 104 | 90.2 Ų | 90.2 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -71.1 | 123.4 | -177.6 | -171.2 | 177.3 | -66.3 | 0 | 0 | 110.3 | Q62 I63 S64 G68 I69 | Q62-M66 PolarHBondContact O-N 2.88Å; Q62-M66 VanDerWaalsContact O-N 3.17Å; I63-M66 WeakPolarHBondContact O-CB 3.47Å; I63-M66 PolarHBondContact O-N 3.07Å; S64-M66 VanDerWaalsContact C-N 3.33Å; M66-G68 PolarHBondContact O-N 3.34Å; M66-I69 HydrophobicContact CB-CB 4.37Å; M66-I69 WeakPolarHBondContact O-CB 3.32Å; M66-I69 VanDerWaalsContact O-CG2 3.26Å; M66-I69 WeakPolarHBondContact O-CG2 3.39Å; M66-I69 PolarHBondContact O-N 3.32Å |
| 67 | P | 90.3 | Very high | 94 | Very high | 123 Ų | 123 | 93.7 Ų | 93.7 | 80% | 0.799 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 133 | 179 | -23.8 | 33.6 | 0 | 0 | 0 | 111.8 | N65 I69 | N65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-I69 VanDerWaalsContact C-N 3.31Å; P67-I69 PolarHBondContact O-N 2.96Å |
| 68 | G | 92.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 96.4 Ų | 96.4 | 28% | 0.278 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 1.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M66 D70 S71 Q76 | M66-G68 PolarHBondContact O-N 3.34Å; G68-D70 PolarHBondContact O-N 2.98Å; G68-D70 VanDerWaalsContact O-N 3.17Å; G68-S71 PolarHBondContact O-N 3.43Å; G68-Q76 PolarHBondContact O-NE2 3.14Å |
| 69 | I | 93.8 | Very high | 94.3 | Very high | 82 Ų | 82 | 97.2 Ų | 97.2 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.2 | 177.9 | -165.8 | 62.3 | 0 | 0 | 0 | 113 | I63 M66 P67 S71 | I63-I69 HydrophobicContact CG2-CD1 4.18Å; I63-I69 HydrophobicContact CG2-CG1 4.32Å; M66-I69 HydrophobicContact CB-CB 4.37Å; M66-I69 WeakPolarHBondContact O-CB 3.32Å; M66-I69 VanDerWaalsContact O-CG2 3.26Å; M66-I69 WeakPolarHBondContact O-CG2 3.39Å; M66-I69 PolarHBondContact O-N 3.32Å; P67-I69 VanDerWaalsContact C-N 3.31Å; P67-I69 PolarHBondContact O-N 2.96Å; I69-S71 VanDerWaalsContact C-N 3.34Å |
| 70 | D | 94.8 | Very high | 94.5 | Very high | 156 Ų | 156 | 100.1 Ų | 100.1 | 83% | 0.834 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -4.6 | 177.9 | -54.3 | -55.4 | 0 | 0 | 0 | 113.7 | G68 | G68-D70 PolarHBondContact O-N 2.98Å; G68-D70 VanDerWaalsContact O-N 3.17Å |
| 71 | S | 94.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 95.1 Ų | 95.1 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -104.7 | 144.9 | -176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | G68 I69 | G68-S71 PolarHBondContact O-N 3.43Å; I69-S71 VanDerWaalsContact C-N 3.34Å |
| 72 | S | 96.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 93.3 Ų | 93.3 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | trans | -66.5 | 152.7 | 172.4 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | Q74 E75 Q76 | S72-Q74 PolarHBondContact O-N 3.33Å; S72-Q74 VanDerWaalsContact O-N 3.14Å; S72-E75 WeakPolarHBondContact CB-OE2 3.26Å; S72-E75 PolarHBondContact N-OE2 3.41Å; S72-E75 PolarHBondContact O-N 3.42Å; S72-E75 VanDerWaalsContact O-N 3.1Å; S72-E75 WeakPolarHBondContact OG-CB 3.18Å; S72-E75 WeakPolarHBondContact OG-CG 3.45Å; S72-E75 PolarHBondContact OG-N 3Å; S72-E75 PolarHBondContact OG-OE2 2.95Å; S72-Q76 WeakPolarHBondContact O-CG 3.4Å; S72-Q76 PolarHBondContact O-N 2.73Å | ||
| 73 | P | 95.9 | Very high | 95.2 | Very high | 91 Ų | 91 | 94.4 Ų | 94.4 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.2 | -35.9 | 175.6 | -27.8 | 35.3 | 0 | 0 | 0 | 113.4 | Q77 | P73-Q77 WeakPolarHBondContact O-CB 3.48Å; P73-Q77 PolarHBondContact O-N 3.1Å |
| 74 | Q | 97.6 | Very high | 95.6 | Very high | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -43.9 | 179 | -64.9 | 80.1 | -1.8 | 0 | 0 | 111.6 | S72 Q77 H78 | S72-Q74 PolarHBondContact O-N 3.33Å; S72-Q74 VanDerWaalsContact O-N 3.14Å; Q74-Q77 PolarHBondContact O-N 3.04Å; Q74-H78 WeakPolarHBondContact O-CB 3.36Å; Q74-H78 PolarHBondContact O-N 3.43Å |
| 75 | E | 97.1 | Very high | 95.8 | Very high | 115 Ų | 115 | 98.1 Ų | 98.1 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.6 | -74.5 | 163.4 | 154 | 0 | 0 | 111.4 | S72 Q77 H78 Q79 | S72-E75 WeakPolarHBondContact CB-OE2 3.26Å; S72-E75 PolarHBondContact N-OE2 3.41Å; S72-E75 PolarHBondContact O-N 3.42Å; S72-E75 VanDerWaalsContact O-N 3.1Å; S72-E75 WeakPolarHBondContact OG-CB 3.18Å; S72-E75 WeakPolarHBondContact OG-CG 3.45Å; S72-E75 PolarHBondContact OG-N 3Å; S72-E75 PolarHBondContact OG-OE2 2.95Å; E75-Q77 VanDerWaalsContact C-N 3.32Å; E75-Q77 PolarHBondContact O-N 3.49Å; E75-H78 PolarHBondContact O-N 3.05Å; E75-Q79 WeakPolarHBondContact O-CB 3.42Å; E75-Q79 PolarHBondContact O-N 3.3Å |
| 76 | Q | 96.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 96 Ų | 96 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 175.5 | -67.7 | -178.4 | -7.4 | 0 | 0 | 111.3 | G68 S72 Q79 L80 | G68-Q76 PolarHBondContact O-NE2 3.14Å; S72-Q76 WeakPolarHBondContact O-CG 3.4Å; S72-Q76 PolarHBondContact O-N 2.73Å; Q76-Q79 PolarHBondContact O-N 2.95Å; Q76-L80 WeakPolarHBondContact O-CB 3.4Å; Q76-L80 PolarHBondContact O-N 3.17Å |
| 77 | Q | 97.4 | Very high | 96.5 | Very high | 143 Ų | 143 | 95.2 Ų | 95.2 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 178.8 | -169.6 | 173.2 | 19.4 | 0 | 0 | 112.1 | P73 Q74 E75 L80 A81 | P73-Q77 WeakPolarHBondContact O-CB 3.48Å; P73-Q77 PolarHBondContact O-N 3.1Å; Q74-Q77 PolarHBondContact O-N 3.04Å; E75-Q77 VanDerWaalsContact C-N 3.32Å; E75-Q77 PolarHBondContact O-N 3.49Å; Q77-L80 PolarHBondContact O-N 3.28Å; Q77-A81 PolarHBondContact O-N 2.99Å |
| 78 | H | 97.9 | Very high | 96.9 | Very high | 134 Ų | 134 | 96.2 Ų | 96.2 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 175.7 | -178.8 | 70 | 0 | 0 | 0 | 112.1 | Q74 E75 L80 A81 T82 | Q74-H78 WeakPolarHBondContact O-CB 3.36Å; Q74-H78 PolarHBondContact O-N 3.43Å; E75-H78 PolarHBondContact O-N 3.05Å; H78-L80 VanDerWaalsContact C-N 3.33Å; H78-L80 PolarHBondContact O-N 3.35Å; H78-A81 PolarHBondContact O-N 3.41Å; H78-T82 PolarHBondContact O-N 3.3Å; H78-T82 PolarHBondContact O-OG1 3.25Å |
| 79 | Q | 96.6 | Very high | 97.1 | Very high | 119 Ų | 119 | 98.3 Ų | 98.3 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 176.4 | -169 | 177.5 | 30 | 0 | 0 | 111.1 | E75 Q76 A81 T82 L83 | E75-Q79 WeakPolarHBondContact O-CB 3.42Å; E75-Q79 PolarHBondContact O-N 3.3Å; Q76-Q79 PolarHBondContact O-N 2.95Å; Q79-A81 PolarHBondContact O-N 3.02Å; Q79-T82 WeakPolarHBondContact O-CB 3.45Å; Q79-T82 PolarHBondContact O-N 3.42Å; Q79-L83 HydrophobicContact CG-CD1 4.33Å; Q79-L83 WeakPolarHBondContact O-CG 3.45Å; Q79-L83 PolarHBondContact O-N 3.5Å |
| 80 | L | 96.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 100.6 Ų | 100.6 | 40% | 0.398 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.3 | 178.9 | 61.9 | 0 | 0 | 0 | 112.2 | Q76 Q77 H78 T82 L83 R84 | Q76-L80 WeakPolarHBondContact O-CB 3.4Å; Q76-L80 PolarHBondContact O-N 3.17Å; Q77-L80 PolarHBondContact O-N 3.28Å; H78-L80 VanDerWaalsContact C-N 3.33Å; H78-L80 PolarHBondContact O-N 3.35Å; L80-T82 VanDerWaalsContact C-N 3.34Å; L80-L83 PolarHBondContact O-N 2.95Å; L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.33Å; L80-R84 PolarHBondContact O-N 3.46Å |
| 81 | A | 98 | Very high | 97.4 | Very high | 53 Ų | 53 | 97.2 Ų | 97.2 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q77 H78 Q79 R84 E85 | Q77-A81 PolarHBondContact O-N 2.99Å; H78-A81 PolarHBondContact O-N 3.41Å; Q79-A81 PolarHBondContact O-N 3.02Å; A81-R84 PolarHBondContact O-N 2.9Å; A81-E85 PolarHBondContact O-N 2.92Å |
| 82 | T | 98.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 99.4 Ų | 99.4 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.6 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | H78 Q79 L80 R84 E85 Q86 | H78-T82 PolarHBondContact O-N 3.3Å; H78-T82 PolarHBondContact O-OG1 3.25Å; Q79-T82 WeakPolarHBondContact O-CB 3.45Å; Q79-T82 PolarHBondContact O-N 3.42Å; L80-T82 VanDerWaalsContact C-N 3.34Å; T82-R84 VanDerWaalsContact C-N 3.33Å; T82-R84 PolarHBondContact O-N 2.99Å; T82-E85 PolarHBondContact O-N 3.26Å; T82-Q86 WeakPolarHBondContact O-CG 3.5Å; T82-Q86 PolarHBondContact O-N 2.88Å |
| 83 | L | 98 | Very high | 97.3 | Very high | 87 Ų | 87 | 101.7 Ų | 101.7 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.3 | -73.1 | 170.7 | 0 | 0 | 0 | 112.1 | Q79 L80 Q86 V87 | Q79-L83 HydrophobicContact CG-CD1 4.33Å; Q79-L83 WeakPolarHBondContact O-CG 3.45Å; Q79-L83 PolarHBondContact O-N 3.5Å; L80-L83 PolarHBondContact O-N 2.95Å; L83-Q86 PolarHBondContact O-N 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.43Å; L83-V87 PolarHBondContact O-N 3.01Å |
| 84 | R | 98.3 | Very high | 97.2 | Very high | 168 Ų | 168 | 102 Ų | 102 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 175.7 | -75.6 | 172.2 | 173.7 | 162.8 | -1.1 | 111.8 | L80 A81 T82 V87 R88 | L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.33Å; L80-R84 PolarHBondContact O-N 3.46Å; A81-R84 PolarHBondContact O-N 2.9Å; T82-R84 VanDerWaalsContact C-N 3.33Å; T82-R84 PolarHBondContact O-N 2.99Å; R84-V87 PolarHBondContact O-N 3.27Å; R84-R88 PolarHBondContact O-N 2.86Å |
| 85 | E | 98.6 | Very high | 96.9 | Very high | 89 Ų | 89 | 101.1 Ų | 101.1 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 178.4 | -170.3 | 55.7 | -145 | 0 | 0 | 112 | A81 T82 V87 R88 T89 | A81-E85 PolarHBondContact O-N 2.92Å; T82-E85 PolarHBondContact O-N 3.26Å; E85-V87 PolarHBondContact O-N 2.81Å; E85-R88 WeakPolarHBondContact O-CB 3.43Å; E85-R88 PolarHBondContact O-N 3.25Å; E85-R88 IonicContact OE1-NH1 3.87Å; E85-R88 WeakPolarHBondContact OE2-CD 3.19Å; E85-R88 IonicContact OE2-NH1 3.43Å; E85-R88 PolarHBondContact OE2-NH1 3.33Å; E85-T89 WeakPolarHBondContact O-CB 3.44Å; E85-T89 PolarHBondContact O-N 2.94Å; E85-T89 PolarHBondContact O-OG1 3.42Å |
| 86 | Q | 98.5 | Very high | 96.5 | Very high | 87 Ų | 87 | 102 Ų | 102 | 41% | 0.407 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 172.4 | -72.9 | -176.1 | 31.1 | 0 | 0 | 111.8 | T82 L83 R88 T89 K90 | T82-Q86 WeakPolarHBondContact O-CG 3.5Å; T82-Q86 PolarHBondContact O-N 2.88Å; L83-Q86 PolarHBondContact O-N 3.28Å; Q86-R88 VanDerWaalsContact C-N 3.33Å; Q86-R88 PolarHBondContact O-N 3.46Å; Q86-T89 PolarHBondContact O-N 2.97Å; Q86-K90 WeakPolarHBondContact O-CB 3.32Å; Q86-K90 VanDerWaalsContact O-CG 3.3Å; Q86-K90 WeakPolarHBondContact O-CG 3.32Å; Q86-K90 PolarHBondContact O-N 3.28Å |
| 87 | V | 98.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 104.2 Ų | 104.2 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 176.9 | 169 | 0 | 0 | 0 | 0 | 110.7 | L83 R84 E85 K90 N91 | L83-V87 WeakPolarHBondContact O-CG2 3.43Å; L83-V87 PolarHBondContact O-N 3.01Å; R84-V87 PolarHBondContact O-N 3.27Å; E85-V87 PolarHBondContact O-N 2.81Å; V87-K90 PolarHBondContact O-N 3.36Å; V87-N91 WeakPolarHBondContact CG1-ND2 3.39Å; V87-N91 WeakPolarHBondContact O-CB 3.4Å; V87-N91 PolarHBondContact O-N 2.95Å; V87-N91 PolarHBondContact O-ND2 3.23Å |
| 88 | R | 98.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 104.7 Ų | 104.7 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -51 | 176.1 | -175.3 | -171.5 | -176.3 | -171.1 | 1 | 111.4 | R84 E85 Q86 N91 Q92 | R84-R88 PolarHBondContact O-N 2.86Å; E85-R88 WeakPolarHBondContact O-CB 3.43Å; E85-R88 PolarHBondContact O-N 3.25Å; E85-R88 IonicContact OE1-NH1 3.87Å; E85-R88 WeakPolarHBondContact OE2-CD 3.19Å; E85-R88 IonicContact OE2-NH1 3.43Å; E85-R88 PolarHBondContact OE2-NH1 3.33Å; Q86-R88 VanDerWaalsContact C-N 3.33Å; Q86-R88 PolarHBondContact O-N 3.46Å; R88-N91 PolarHBondContact O-N 3.43Å; R88-Q92 WeakPolarHBondContact O-CG 3.4Å; R88-Q92 PolarHBondContact O-N 2.95Å |
| 89 | T | 97.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 102.7 Ų | 102.7 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | -178.9 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | E85 Q86 N91 Q92 L93 | E85-T89 WeakPolarHBondContact O-CB 3.44Å; E85-T89 PolarHBondContact O-N 2.94Å; E85-T89 PolarHBondContact O-OG1 3.42Å; Q86-T89 PolarHBondContact O-N 2.97Å; T89-N91 VanDerWaalsContact C-N 3.33Å; T89-N91 PolarHBondContact O-N 3.34Å; T89-Q92 PolarHBondContact O-N 3.31Å; T89-L93 PolarHBondContact O-N 3.3Å |
| 90 | K | 97.3 | Very high | 93.8 | Very high | 131 Ų | 131 | 101.7 Ų | 101.7 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 176.9 | -75.2 | 175.7 | 176.8 | 173.6 | 0 | 111.7 | Q86 V87 L93 L94 | Q86-K90 WeakPolarHBondContact O-CB 3.32Å; Q86-K90 VanDerWaalsContact O-CG 3.3Å; Q86-K90 WeakPolarHBondContact O-CG 3.32Å; Q86-K90 PolarHBondContact O-N 3.28Å; V87-K90 PolarHBondContact O-N 3.36Å; K90-L93 PolarHBondContact O-N 2.95Å; K90-L94 WeakPolarHBondContact O-CG 3.3Å; K90-L94 PolarHBondContact O-N 2.94Å |
| 91 | N | 96.4 | Very high | 92 | Very high | 84 Ų | 84 | 102.1 Ų | 102.1 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.9 | -80.6 | -43.6 | 0 | 0 | 0 | 112.3 | V87 R88 T89 L93 L94 Q95 | V87-N91 WeakPolarHBondContact CG1-ND2 3.39Å; V87-N91 WeakPolarHBondContact O-CB 3.4Å; V87-N91 PolarHBondContact O-N 2.95Å; V87-N91 PolarHBondContact O-ND2 3.23Å; R88-N91 PolarHBondContact O-N 3.43Å; T89-N91 VanDerWaalsContact C-N 3.33Å; T89-N91 PolarHBondContact O-N 3.34Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 2.97Å; N91-L94 PolarHBondContact O-N 2.95Å; N91-Q95 WeakPolarHBondContact O-CG 3.41Å; N91-Q95 PolarHBondContact O-N 2.88Å |
| 92 | Q | 95.9 | Very high | 90.1 | Very high | 93 Ų | 93 | 107.2 Ų | 107.2 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 175.3 | -73.6 | 176.5 | -5.6 | 0 | 0 | 111.6 | R88 T89 Q95 K96 | R88-Q92 WeakPolarHBondContact O-CG 3.4Å; R88-Q92 PolarHBondContact O-N 2.95Å; T89-Q92 PolarHBondContact O-N 3.31Å; Q92-Q95 PolarHBondContact O-N 3.36Å; Q92-K96 WeakPolarHBondContact O-CG 3.36Å; Q92-K96 PolarHBondContact O-N 3.42Å |
| 93 | L | 94.9 | Very high | 88 | Confident | 89 Ų | 89 | 112 Ų | 112 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.5 | -174.9 | 61.7 | 0 | 0 | 0 | 111.4 | T89 K90 N91 Q95 K96 Y97 | T89-L93 PolarHBondContact O-N 3.3Å; K90-L93 PolarHBondContact O-N 2.95Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 2.97Å; L93-Q95 VanDerWaalsContact C-N 3.29Å; L93-Q95 PolarHBondContact O-N 3.48Å; L93-K96 WeakPolarHBondContact O-CB 3.48Å; L93-K96 PolarHBondContact O-N 3.45Å; L93-Y97 HydrophobicContact CD1-CD2 3.94Å; L93-Y97 HydrophobicContact CD1-CE2 3.41Å; L93-Y97 VanDerWaalsContact CD1-CE2 3.41Å; L93-Y97 HydrophobicContact CD2-CE2 4.06Å; L93-Y97 HydrophobicContact CG-CD2 3.82Å; L93-Y97 HydrophobicContact CG-CE2 3.51Å; L93-Y97 WeakPolarHBondContact O-CD2 3.44Å; L93-Y97 PolarHBondContact O-N 2.79Å |
| 94 | L | 93.1 | Very high | 86.1 | Confident | 97 Ų | 97 | 113.9 Ų | 113.9 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.4 | -40.6 | 175.1 | -73.6 | 172.9 | 0 | 0 | 0 | 112.2 | K90 N91 Y97 K98 | K90-L94 WeakPolarHBondContact O-CG 3.3Å; K90-L94 PolarHBondContact O-N 2.94Å; N91-L94 PolarHBondContact O-N 2.95Å; L94-Y97 PolarHBondContact O-N 3.5Å; L94-K98 VanDerWaalsContact O-CG 3.32Å; L94-K98 WeakPolarHBondContact O-CG 3.48Å; L94-K98 PolarHBondContact O-N 2.89Å |
| 95 | Q | 91.1 | Very high | 84.1 | Confident | 116 Ų | 116 | 111.7 Ų | 111.7 | 54% | 0.542 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65 | -42.5 | 176.3 | -69.3 | -61.3 | -26.2 | 0 | 0 | 111.9 | N91 Q92 L93 Y97 K98 S99 | N91-Q95 WeakPolarHBondContact O-CG 3.41Å; N91-Q95 PolarHBondContact O-N 2.88Å; Q92-Q95 PolarHBondContact O-N 3.36Å; L93-Q95 VanDerWaalsContact C-N 3.29Å; L93-Q95 PolarHBondContact O-N 3.48Å; Q95-Y97 PolarHBondContact O-N 3.33Å; Q95-K98 PolarHBondContact O-N 3Å; Q95-S99 PolarHBondContact O-N 2.98Å; Q95-S99 PolarHBondContact O-OG 2.95Å |
| 96 | K | 89.6 | Confident | 82.2 | Confident | 132 Ų | 132 | 112.9 Ų | 112.9 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.2 | -47.4 | 174.6 | -72.4 | 177.5 | 179.4 | -176.6 | 0 | 111.2 | Q92 L93 K98 S99 L100 | Q92-K96 WeakPolarHBondContact O-CG 3.36Å; Q92-K96 PolarHBondContact O-N 3.42Å; L93-K96 WeakPolarHBondContact O-CB 3.48Å; L93-K96 PolarHBondContact O-N 3.45Å; K96-K98 PolarHBondContact O-N 3.32Å; K96-S99 WeakPolarHBondContact CA-OG 3.21Å; K96-S99 PolarHBondContact O-N 3.46Å; K96-S99 PolarHBondContact O-OG 3.1Å; K96-L100 WeakPolarHBondContact O-CD1 3.32Å; K96-L100 PolarHBondContact O-N 2.72Å; K96-L100 VanDerWaalsContact O-N 3.1Å |
| 97 | Y | 89.3 | Confident | 80.2 | Confident | 132 Ų | 132 | 118.1 Ų | 118.1 | 52% | 0.518 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.8 | -39.7 | 177.1 | -78.7 | -65.8 | 0 | 0 | 0 | 113.1 | L93 L94 Q95 S99 L100 | L93-Y97 HydrophobicContact CD1-CD2 3.94Å; L93-Y97 HydrophobicContact CD1-CE2 3.41Å; L93-Y97 VanDerWaalsContact CD1-CE2 3.41Å; L93-Y97 HydrophobicContact CD2-CE2 4.06Å; L93-Y97 HydrophobicContact CG-CD2 3.82Å; L93-Y97 HydrophobicContact CG-CE2 3.51Å; L93-Y97 WeakPolarHBondContact O-CD2 3.44Å; L93-Y97 PolarHBondContact O-N 2.79Å; L94-Y97 PolarHBondContact O-N 3.5Å; Q95-Y97 PolarHBondContact O-N 3.33Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 3.28Å; Y97-L100 PolarHBondContact O-N 3.46Å |
| 98 | K | 84.8 | Confident | 78.1 | Confident | 154 Ų | 154 | 119 Ų | 119 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.8 | -39.7 | 173.9 | -74.8 | 175.4 | -179.1 | -178 | 0 | 112.4 | L94 Q95 K96 L100 | L94-K98 VanDerWaalsContact O-CG 3.32Å; L94-K98 WeakPolarHBondContact O-CG 3.48Å; L94-K98 PolarHBondContact O-N 2.89Å; Q95-K98 PolarHBondContact O-N 3Å; K96-K98 PolarHBondContact O-N 3.32Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.2Å |
| 99 | S | 81.2 | Confident | 75.6 | Confident | 92 Ų | 92 | 121.2 Ų | 121.2 | 64% | 0.643 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.8 | -18.2 | 179.4 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | Q95 K96 Y97 C101 | Q95-S99 PolarHBondContact O-N 2.98Å; Q95-S99 PolarHBondContact O-OG 2.95Å; K96-S99 WeakPolarHBondContact CA-OG 3.21Å; K96-S99 PolarHBondContact O-N 3.46Å; K96-S99 PolarHBondContact O-OG 3.1Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 3.28Å; S99-C101 VanDerWaalsContact C-N 3.3Å; S99-C101 PolarHBondContact O-N 3.45Å |
| 100 | L | 76.3 | Confident | 74.5 | Confident | 98 Ų | 98 | 123.8 Ų | 123.8 | 51% | 0.513 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -0.1 | -170.7 | -117.8 | 97.3 | 0 | 0 | 0 | 114.8 | K96 Y97 K98 M102 | K96-L100 WeakPolarHBondContact O-CD1 3.32Å; K96-L100 PolarHBondContact O-N 2.72Å; K96-L100 VanDerWaalsContact O-N 3.1Å; Y97-L100 PolarHBondContact O-N 3.46Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.2Å; L100-M102 HydrophobicContact CD2-SD 4.14Å; L100-M102 PolarHBondContact O-N 3.18Å |
| 101 | C | 59 | Low | 73.3 | Confident | 85 Ų | 85 | 123.4 Ų | 123.4 | 57% | 0.574 | 66% | 0.662 | S | S | * | * | trans | 57.2 | -11.2 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 116.9 | S99 F103 D104 | S99-C101 VanDerWaalsContact C-N 3.3Å; S99-C101 PolarHBondContact O-N 3.45Å; C101-F103 PolarHBondContact O-N 2.97Å; C101-D104 PolarHBondContact O-N 2.9Å; C101-D104 VanDerWaalsContact O-N 3.1Å; C101-D104 PolarHBondContact SG-OD2 2.95Å | ||
| 102 | M | 56.7 | Low | 72 | Confident | 160 Ų | 160 | 125.6 Ų | 125.6 | 79% | 0.788 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -0.4 | 177.9 | -63 | -176.4 | 69.4 | 0 | 0 | 114.8 | L100 | L100-M102 HydrophobicContact CD2-SD 4.14Å; L100-M102 PolarHBondContact O-N 3.18Å |
| 103 | F | 55.1 | Low | 70.6 | Confident | 158 Ų | 158 | 127.5 Ų | 127.5 | 69% | 0.693 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 10.8 | 178.1 | -76.4 | -78.2 | 0 | 0 | 0 | 114.1 | C101 V105 | C101-F103 PolarHBondContact O-N 2.97Å; F103-V105 PolarHBondContact O-N 3.03Å |
| 104 | D | 57.1 | Low | 69.1 | Low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | trans | -67 | 86.9 | 162 | -77.7 | -50.3 | 0 | 0 | 0 | 108 | C101 P106 | C101-D104 PolarHBondContact O-N 2.9Å; C101-D104 VanDerWaalsContact O-N 3.1Å; C101-D104 PolarHBondContact SG-OD2 2.95Å; D104-P106 WeakPolarHBondContact O-CD 3.39Å; D104-P106 VanDerWaalsContact O-N 3.16Å | ||
| 105 | V | 58 | Low | 67.5 | Low | 121 Ų | 121 | 132.1 Ų | 132.1 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -53.9 | 121 | 166.3 | -178.5 | 0 | 0 | 0 | 0 | 105.4 | F103 K107 | F103-V105 PolarHBondContact O-N 3.03Å; V105-K107 PolarHBondContact O-N 3.1Å | ||
| 106 | P | 56.7 | Low | 65.8 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | trans | -52.8 | 118.5 | 176 | -21.7 | 30.6 | 0 | 0 | 0 | 107.2 | D104 A108 | D104-P106 WeakPolarHBondContact O-CD 3.39Å; D104-P106 VanDerWaalsContact O-N 3.16Å; P106-A108 PolarHBondContact O-N 2.72Å | ||
| 107 | K | 57.1 | Low | 63.9 | Low | 198 Ų | 198 | 133.4 Ų | 133.4 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -56.9 | 110.5 | 169.7 | -89.4 | -177.4 | 176.1 | 174.7 | 0 | 105.8 | V105 S109 | V105-K107 PolarHBondContact O-N 3.1Å; K107-S109 PolarHBondContact O-N 2.85Å | ||
| 108 | A | 55.7 | Low | 61.8 | Low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -52.4 | 116 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | P106 | P106-A108 PolarHBondContact O-N 2.72Š| ||
| 109 | S | 44.3 | Very low | 59.7 | Low | 193 Ų | 193 | 131.6 Ų | 131.6 | 100% | 1.35 | 77% | 0.766 | S | S | * | * | trans | -75.4 | 0 | 165.1 | -66.6 | 0 | 0 | 0 | 0 | 109.8 | K107 | K107-S109 PolarHBondContact O-N 2.85Š|
Retrieved 109 of 109 residues in 32.7 ms
(Link to these results)