| 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 | 50.2 | Low | 53.8 | Low | 221 Ų | 221 | 153.8 Ų | 153.8 | 100% | 1.089 | 77% | 0.767 | S | S | * | * | 0 | 83 | 0 | -157.2 | 162.4 | 174.4 | 0 | 0 | 106.5 | N3 | M1-N3 PolarHBondContact O-N 3Š| |||
| 2 | L | 50.2 | Low | 55.2 | Low | 159 Ų | 159 | 149.9 Ų | 149.9 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -71.8 | 105.3 | 172.9 | -109.4 | 85.7 | 0 | 0 | 0 | 105.5 | D4 | L2-D4 PolarHBondContact O-N 3.3Š| ||
| 3 | N | 56.5 | Low | 56.9 | Low | 117 Ų | 117 | 152.6 Ų | 152.6 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | -75.6 | 98.8 | 172.5 | -81.9 | -22 | 0 | 0 | 0 | 107.9 | M1 Y5 | M1-N3 PolarHBondContact O-N 3Å; N3-Y5 HydrophobicContact CB-CD2 4.09Å; N3-Y5 HydrophobicContact CB-CE2 4.45Å; N3-Y5 PolarHBondContact O-N 3.27Å | ||
| 4 | D | 58 | Low | 58 | Low | 146 Ų | 146 | 156.3 Ų | 156.3 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -61.1 | 75.3 | 162.8 | -63.8 | -47.8 | 0 | 0 | 0 | 109.6 | L2 | L2-D4 PolarHBondContact O-N 3.3Š| ||
| 5 | Y | 53.1 | Low | 59.5 | Low | 195 Ų | 195 | 149.4 Ų | 149.4 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -93.1 | 118.9 | 158 | -86.5 | -86.1 | 0 | 0 | 0 | 106.9 | N3 R7 | N3-Y5 HydrophobicContact CB-CD2 4.09Å; N3-Y5 HydrophobicContact CB-CE2 4.45Å; N3-Y5 PolarHBondContact O-N 3.27Å; Y5-R7 PolarHBondContact O-N 3.32Å | ||
| 6 | P | 52 | Low | 60.8 | Low | 111 Ų | 111 | 146.1 Ų | 146.1 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | -56.2 | 124.1 | 161.4 | 25.9 | -29.9 | 0 | 0 | 0 | 104.7 | Q8 | P6-Q8 PolarHBondContact O-N 3.49Š| ||
| 7 | R | 49.7 | Very low | 62.3 | Low | 240 Ų | 240 | 145.2 Ų | 145.2 | 91% | 0.906 | 72% | 0.719 | S | S | * | * | trans | -55.1 | 95.1 | 162.9 | -75.1 | 179.6 | -158.5 | 138.6 | 7 | 104.4 | Y5 V9 | Y5-R7 PolarHBondContact O-N 3.32Å; R7-V9 PolarHBondContact O-N 3.39Å | ||
| 8 | Q | 47.9 | Very low | 63.7 | Low | 175 Ų | 175 | 143.9 Ų | 143.9 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -53 | 99.8 | 162.3 | -164.8 | 171.3 | 34 | 0 | 0 | 101.5 | P6 V10 | P6-Q8 PolarHBondContact O-N 3.49Å; Q8-V10 VanDerWaalsContact C-N 3.3Å; Q8-V10 WeakPolarHBondContact O-CG2 3.48Å; Q8-V10 PolarHBondContact O-N 3.14Å | ||
| 9 | V | 55.4 | Low | 64.9 | Low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | -51.8 | 110 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 102.2 | R7 I11 | R7-V9 PolarHBondContact O-N 3.39Å; V9-I11 HydrophobicContact CB-CG1 4.15Å; V9-I11 HydrophobicContact CG1-CD1 4.42Å; V9-I11 HydrophobicContact CG1-CG1 3.71Å; V9-I11 PolarHBondContact O-N 3.47Å | ||
| 10 | V | 56.3 | Low | 65.8 | Low | 125 Ų | 125 | 138.3 Ų | 138.3 | 76% | 0.758 | 69% | 0.69 | S | S | * | * | trans | -71.1 | 73.2 | -179.4 | -177.3 | 0 | 0 | 0 | 0 | 104 | Q8 D12 | Q8-V10 VanDerWaalsContact C-N 3.3Å; Q8-V10 WeakPolarHBondContact O-CG2 3.48Å; Q8-V10 PolarHBondContact O-N 3.14Å; V10-D12 VanDerWaalsContact C-N 3.26Å; V10-D12 PolarHBondContact O-N 3.41Å | ||
| 11 | I | 63 | Low | 67.1 | Low | 90 Ų | 90 | 133.3 Ų | 133.3 | 46% | 0.462 | 67% | 0.674 | S | S | . | * | trans | -67.4 | 102 | 168.1 | -62.1 | 174.1 | 0 | 0 | 0 | 101.7 | V9 K13 L16 | V9-I11 HydrophobicContact CB-CG1 4.15Å; V9-I11 HydrophobicContact CG1-CD1 4.42Å; V9-I11 HydrophobicContact CG1-CG1 3.71Å; V9-I11 PolarHBondContact O-N 3.47Å; I11-K13 PolarHBondContact O-N 3.29Å; I11-L16 HydrophobicContact CG2-CB 4.2Å | ||
| 12 | D | 70.3 | Confident | 69.2 | Low | 107 Ų | 107 | 127.4 Ų | 127.4 | 57% | 0.572 | 65% | 0.646 | S | S | * | * | trans | -45.1 | 118.8 | 173.7 | -90.5 | -55.8 | 0 | 0 | 0 | 107.8 | V10 R14 A15 L16 | V10-D12 VanDerWaalsContact C-N 3.26Å; V10-D12 PolarHBondContact O-N 3.41Å; D12-R14 CarbonylContact O-C 3.57Å; D12-R14 PolarHBondContact O-N 2.9Å; D12-A15 HydrophobicContact CB-CB 4.37Å; D12-A15 WeakPolarHBondContact O-CB 3.39Å; D12-A15 PolarHBondContact O-N 3.42Å; D12-L16 PolarHBondContact O-N 3.49Å | ||
| 13 | K | 76.8 | Confident | 71.2 | Confident | 185 Ų | 185 | 122 Ų | 122 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -52.4 | -25.3 | -177.8 | -64.3 | 179.5 | -179.3 | 177.6 | 0 | 111.6 | I11 L17 | I11-K13 PolarHBondContact O-N 3.29Å; K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 PolarHBondContact O-N 3.29Å |
| 14 | R | 72.5 | Confident | 72.8 | Confident | 204 Ų | 204 | 120.9 Ų | 120.9 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.4 | -46.4 | 172.3 | -61.9 | 178.7 | 177.8 | 178.3 | -0.7 | 113.1 | D12 L16 L17 L18 | D12-R14 CarbonylContact O-C 3.57Å; D12-R14 PolarHBondContact O-N 2.9Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-L17 PolarHBondContact O-N 2.94Å; R14-L18 WeakPolarHBondContact O-CB 3.27Å; R14-L18 VanDerWaalsContact O-CG 3.28Å; R14-L18 WeakPolarHBondContact O-CG 3.13Å; R14-L18 PolarHBondContact O-N 3Å |
| 15 | A | 80.3 | Confident | 74.4 | Confident | 53 Ų | 53 | 120 Ų | 120 | 44% | 0.438 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.7 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D12 L18 F19 | D12-A15 HydrophobicContact CB-CB 4.37Å; D12-A15 WeakPolarHBondContact O-CB 3.39Å; D12-A15 PolarHBondContact O-N 3.42Å; A15-L18 PolarHBondContact O-N 3.27Å; A15-F19 WeakPolarHBondContact O-CB 3.05Å; A15-F19 PolarHBondContact O-N 2.54Å |
| 16 | L | 81.2 | Confident | 76.3 | Confident | 97 Ų | 97 | 116 Ų | 116 | 51% | 0.508 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.8 | -43.4 | 174.4 | -173.6 | 67.6 | 0 | 0 | 0 | 111.8 | I11 D12 R14 F19 A20 | I11-L16 HydrophobicContact CG2-CB 4.2Å; D12-L16 PolarHBondContact O-N 3.49Å; R14-L16 VanDerWaalsContact C-N 3.34Å; L16-F19 PolarHBondContact O-N 3.26Å; L16-A20 WeakPolarHBondContact O-CB 3.25Å; L16-A20 PolarHBondContact O-N 2.82Å |
| 17 | L | 85.4 | Confident | 77.9 | Confident | 131 Ų | 131 | 116.5 Ų | 116.5 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.9 | -42.6 | 176.6 | -172.3 | 71.3 | 0 | 0 | 0 | 111.8 | K13 R14 A20 G21 | K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 PolarHBondContact O-N 3.29Å; R14-L17 PolarHBondContact O-N 2.94Å; L17-A20 PolarHBondContact O-N 3.42Å; L17-G21 PolarHBondContact O-N 2.91Å |
| 18 | L | 87.8 | Confident | 79.8 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 63% | 0.634 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.1 | -44.9 | 175.4 | -74.7 | 168.8 | 0 | 0 | 0 | 111.4 | R14 A15 G21 I22 | R14-L18 WeakPolarHBondContact O-CB 3.27Å; R14-L18 VanDerWaalsContact O-CG 3.28Å; R14-L18 WeakPolarHBondContact O-CG 3.13Å; R14-L18 PolarHBondContact O-N 3Å; A15-L18 PolarHBondContact O-N 3.27Å; L18-G21 PolarHBondContact O-N 3.4Å; L18-I22 WeakPolarHBondContact O-CG1 3.33Å; L18-I22 PolarHBondContact O-N 3.43Å |
| 19 | F | 85.9 | Confident | 81.8 | Confident | 127 Ų | 127 | 106.9 Ų | 106.9 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.4 | -47.8 | 176.5 | 178.8 | -100.7 | 0 | 0 | 0 | 111.8 | A15 L16 G21 I22 C23 | A15-F19 WeakPolarHBondContact O-CB 3.05Å; A15-F19 PolarHBondContact O-N 2.54Å; L16-F19 PolarHBondContact O-N 3.26Å; F19-G21 VanDerWaalsContact C-N 3.3Å; F19-G21 PolarHBondContact O-N 3.24Å; F19-I22 PolarHBondContact O-N 2.87Å; F19-C23 PolarHBondContact O-N 3.47Å |
| 20 | A | 84 | Confident | 83.3 | Confident | 48 Ų | 48 | 105 Ų | 105 | 40% | 0.397 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L16 L17 I22 C23 V24 | L16-A20 WeakPolarHBondContact O-CB 3.25Å; L16-A20 PolarHBondContact O-N 2.82Å; L17-A20 PolarHBondContact O-N 3.42Å; A20-I22 PolarHBondContact O-N 3.37Å; A20-C23 PolarHBondContact O-N 2.76Å; A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.5Å |
| 21 | G | 93.7 | Very high | 84.6 | Confident | 34 Ų | 34 | 101.5 Ų | 101.5 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L17 L18 F19 C23 V24 L25 | L17-G21 PolarHBondContact O-N 2.91Å; L18-G21 PolarHBondContact O-N 3.4Å; F19-G21 VanDerWaalsContact C-N 3.3Å; F19-G21 PolarHBondContact O-N 3.24Å; G21-C23 VanDerWaalsContact C-N 3.35Å; G21-C23 PolarHBondContact O-N 3.31Å; G21-V24 PolarHBondContact O-N 2.93Å; G21-L25 PolarHBondContact O-N 3.27Å |
| 22 | I | 94.3 | Very high | 85.8 | Confident | 98 Ų | 98 | 102.1 Ų | 102.1 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.2 | -66.8 | 164 | 0 | 0 | 0 | 110.7 | L18 F19 A20 V24 L25 L26 | L18-I22 WeakPolarHBondContact O-CG1 3.33Å; L18-I22 PolarHBondContact O-N 3.43Å; F19-I22 PolarHBondContact O-N 2.87Å; A20-I22 PolarHBondContact O-N 3.37Å; I22-V24 VanDerWaalsContact C-N 3.35Å; I22-V24 PolarHBondContact O-N 3.45Å; I22-L25 PolarHBondContact O-N 3.42Å; I22-L26 HydrophobicContact CG2-CD1 4Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CG 3.14Å; I22-L26 PolarHBondContact O-N 3.35Å |
| 23 | C | 90.2 | Very high | 86.5 | Confident | 46 Ų | 46 | 100.2 Ų | 100.2 | 31% | 0.311 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.3 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | F19 A20 G21 L26 F27 | F19-C23 PolarHBondContact O-N 3.47Å; A20-C23 PolarHBondContact O-N 2.76Å; G21-C23 VanDerWaalsContact C-N 3.35Å; G21-C23 PolarHBondContact O-N 3.31Å; C23-L26 PolarHBondContact O-N 2.88Å; C23-F27 WeakPolarHBondContact O-CB 3.48Å; C23-F27 PolarHBondContact O-N 3.27Å |
| 24 | V | 90.4 | Very high | 86.5 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 177.4 | 175 | 0 | 0 | 0 | 0 | 111 | A20 G21 I22 L26 F27 V28 | A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.5Å; G21-V24 PolarHBondContact O-N 2.93Å; I22-V24 VanDerWaalsContact C-N 3.35Å; I22-V24 PolarHBondContact O-N 3.45Å; V24-L26 PolarHBondContact O-N 3.03Å; V24-F27 WeakPolarHBondContact O-CB 3.26Å; V24-F27 PolarHBondContact O-N 3.43Å; V24-V28 HydrophobicContact CG1-CG2 4.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 3.19Å |
| 25 | L | 93.3 | Very high | 86.5 | Confident | 127 Ų | 127 | 88 Ų | 88 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 177.7 | -79.7 | 167.6 | 0 | 0 | 0 | 112.2 | G21 I22 F27 V28 F29 | G21-L25 PolarHBondContact O-N 3.27Å; I22-L25 PolarHBondContact O-N 3.42Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 2.88Å; L25-V28 PolarHBondContact O-N 3.37Å; L25-F29 WeakPolarHBondContact O-CB 3.08Å; L25-F29 PolarHBondContact O-N 2.93Å |
| 26 | L | 91.2 | Very high | 86.4 | Confident | 112 Ų | 112 | 93 Ų | 93 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 175.9 | -74.8 | 171.5 | 0 | 0 | 0 | 111.8 | I22 C23 V24 F29 H30 | I22-L26 HydrophobicContact CG2-CD1 4Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CG 3.14Å; I22-L26 PolarHBondContact O-N 3.35Å; C23-L26 PolarHBondContact O-N 2.88Å; V24-L26 PolarHBondContact O-N 3.03Å; L26-F29 PolarHBondContact O-N 3.44Å; L26-H30 VanDerWaalsContact O-CB 3.28Å; L26-H30 WeakPolarHBondContact O-CB 3.1Å; L26-H30 PolarHBondContact O-N 3.36Å |
| 27 | F | 87.3 | Confident | 85.9 | Confident | 121 Ų | 121 | 94.4 Ų | 94.4 | 53% | 0.531 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 177 | -178.5 | -98.5 | 0 | 0 | 0 | 112.4 | C23 V24 L25 H30 S31 | C23-F27 WeakPolarHBondContact O-CB 3.48Å; C23-F27 PolarHBondContact O-N 3.27Å; V24-F27 WeakPolarHBondContact O-CB 3.26Å; V24-F27 PolarHBondContact O-N 3.43Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 2.88Å; F27-H30 PolarHBondContact O-N 3.32Å; F27-S31 WeakPolarHBondContact O-CB 3.31Å; F27-S31 PolarHBondContact O-N 2.91Å; F27-S31 PolarHBondContact O-OG 3.48Å |
| 28 | V | 89 | Confident | 84.7 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 176 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | V24 L25 H30 S31 I32 | V24-V28 HydrophobicContact CG1-CG2 4.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 3.19Å; L25-V28 PolarHBondContact O-N 3.37Å; V28-H30 PolarHBondContact O-N 3.14Å; V28-S31 WeakPolarHBondContact O-CB 2.86Å; V28-S31 PolarHBondContact O-N 3.41Å; V28-I32 HydrophobicContact CG1-CD1 3.96Å; V28-I32 WeakPolarHBondContact O-CG1 3.5Å; V28-I32 PolarHBondContact O-N 2.87Å |
| 29 | F | 90.5 | Very high | 83.7 | Confident | 140 Ų | 140 | 90.9 Ų | 90.9 | 61% | 0.614 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60 | -47.2 | 179.2 | -170.6 | -95.4 | 0 | 0 | 0 | 111.3 | L25 L26 S31 I32 T33 | L25-F29 WeakPolarHBondContact O-CB 3.08Å; L25-F29 PolarHBondContact O-N 2.93Å; L26-F29 PolarHBondContact O-N 3.44Å; F29-S31 VanDerWaalsContact C-N 3.31Å; F29-S31 PolarHBondContact O-N 2.67Å; F29-I32 PolarHBondContact O-N 3.3Å; F29-T33 PolarHBondContact O-N 3.06Å; F29-T33 PolarHBondContact O-OG1 3.42Å |
| 30 | H | 86.5 | Confident | 82.6 | Confident | 75 Ų | 75 | 88.8 Ų | 88.8 | 35% | 0.347 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 175.9 | -175.6 | -86.1 | 0 | 0 | 0 | 111.9 | L26 F27 V28 I32 T33 V34 | L26-H30 VanDerWaalsContact O-CB 3.28Å; L26-H30 WeakPolarHBondContact O-CB 3.1Å; L26-H30 PolarHBondContact O-N 3.36Å; F27-H30 PolarHBondContact O-N 3.32Å; V28-H30 PolarHBondContact O-N 3.14Å; H30-I32 VanDerWaalsContact C-N 3.33Å; H30-I32 PolarHBondContact O-N 2.93Å; H30-T33 PolarHBondContact O-N 3.44Å; H30-V34 VanDerWaalsContact CE1-CG2 3.48Å; H30-V34 WeakPolarHBondContact CE1-CG2 3.31Å; H30-V34 WeakPolarHBondContact O-CB 3.48Å; H30-V34 VanDerWaalsContact O-CG2 3.24Å; H30-V34 WeakPolarHBondContact O-CG2 3.39Å; H30-V34 PolarHBondContact O-N 3.41Å |
| 31 | S | 83.1 | Confident | 81.4 | Confident | 51 Ų | 51 | 91 Ų | 91 | 36% | 0.357 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 178.1 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | F27 V28 F29 N35 | F27-S31 WeakPolarHBondContact O-CB 3.31Å; F27-S31 PolarHBondContact O-N 2.91Å; F27-S31 PolarHBondContact O-OG 3.48Å; V28-S31 WeakPolarHBondContact O-CB 2.86Å; V28-S31 PolarHBondContact O-N 3.41Å; F29-S31 VanDerWaalsContact C-N 3.31Å; F29-S31 PolarHBondContact O-N 2.67Å; S31-N35 WeakPolarHBondContact O-CB 3.25Å; S31-N35 PolarHBondContact O-N 3.2Å |
| 32 | I | 88.6 | Confident | 79.7 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -47.9 | 176.1 | -65 | 166.1 | 0 | 0 | 0 | 110.5 | V28 F29 H30 V34 N35 F36 | V28-I32 HydrophobicContact CG1-CD1 3.96Å; V28-I32 WeakPolarHBondContact O-CG1 3.5Å; V28-I32 PolarHBondContact O-N 2.87Å; F29-I32 PolarHBondContact O-N 3.3Å; H30-I32 VanDerWaalsContact C-N 3.33Å; H30-I32 PolarHBondContact O-N 2.93Å; I32-V34 VanDerWaalsContact C-N 3.3Å; I32-V34 PolarHBondContact O-N 3.31Å; I32-N35 PolarHBondContact O-N 3.31Å; I32-F36 WeakPolarHBondContact O-CB 3.23Å; I32-F36 PolarHBondContact O-N 3.4Å |
| 33 | T | 84.3 | Confident | 77.8 | Confident | 68 Ų | 68 | 99.3 Ų | 99.3 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | F29 H30 F36 Y37 | F29-T33 PolarHBondContact O-N 3.06Å; F29-T33 PolarHBondContact O-OG1 3.42Å; H30-T33 PolarHBondContact O-N 3.44Å; T33-F36 PolarHBondContact O-N 3.4Å; T33-Y37 WeakPolarHBondContact O-CB 3.04Å; T33-Y37 PolarHBondContact O-N 2.93Å |
| 34 | V | 76.7 | Confident | 76.2 | Confident | 26 Ų | 26 | 104.5 Ų | 104.5 | 16% | 0.158 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 177.2 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | H30 I32 F36 Y37 F38 Y45 | H30-V34 VanDerWaalsContact CE1-CG2 3.48Å; H30-V34 WeakPolarHBondContact CE1-CG2 3.31Å; H30-V34 WeakPolarHBondContact O-CB 3.48Å; H30-V34 VanDerWaalsContact O-CG2 3.24Å; H30-V34 WeakPolarHBondContact O-CG2 3.39Å; H30-V34 PolarHBondContact O-N 3.41Å; I32-V34 VanDerWaalsContact C-N 3.3Å; I32-V34 PolarHBondContact O-N 3.31Å; V34-F36 VanDerWaalsContact C-N 3.34Å; V34-F36 PolarHBondContact O-N 2.91Å; V34-Y37 PolarHBondContact O-N 2.99Å; V34-F38 HydrophobicContact CG1-CD2 3.49Å; V34-F38 VanDerWaalsContact CG1-CD2 3.49Å; V34-F38 HydrophobicContact CG1-CE2 3.15Å; V34-F38 HydrophobicContact CG1-CZ 4.29Å; V34-F38 WeakPolarHBondContact O-CD2 3.43Å; V34-F38 PolarHBondContact O-N 2.87Å; V34-Y45 PolarHBondContact O-OH 3.46Å |
| 35 | N | 73.8 | Confident | 74.5 | Confident | 107 Ų | 107 | 101.2 Ų | 101.2 | 57% | 0.572 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 177.2 | -166.1 | 18.7 | 0 | 0 | 0 | 112.7 | S31 I32 F38 N39 | S31-N35 WeakPolarHBondContact O-CB 3.25Å; S31-N35 PolarHBondContact O-N 3.2Å; I32-N35 PolarHBondContact O-N 3.31Å; N35-F38 WeakPolarHBondContact O-CB 3.47Å; N35-F38 PolarHBondContact O-N 2.97Å; N35-N39 PolarHBondContact O-N 3.43Å |
| 36 | F | 76.7 | Confident | 72.9 | Confident | 157 Ų | 157 | 98.9 Ų | 98.9 | 69% | 0.689 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.8 | -43.8 | 177.7 | -149.2 | -88.1 | 0 | 0 | 0 | 111.6 | I32 T33 V34 F38 N39 S40 | I32-F36 WeakPolarHBondContact O-CB 3.23Å; I32-F36 PolarHBondContact O-N 3.4Å; T33-F36 PolarHBondContact O-N 3.4Å; V34-F36 VanDerWaalsContact C-N 3.34Å; V34-F36 PolarHBondContact O-N 2.91Å; F36-F38 VanDerWaalsContact C-N 3.29Å; F36-F38 PolarHBondContact O-N 3.11Å; F36-N39 PolarHBondContact O-N 2.95Å; F36-S40 PolarHBondContact O-N 3.1Å; F36-S40 PolarHBondContact O-OG 3.36Å |
| 37 | Y | 71.4 | Confident | 71.4 | Confident | 127 Ų | 127 | 101.2 Ų | 101.2 | 50% | 0.498 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175 | -166.3 | -54.6 | 0 | 0 | 0 | 110.7 | T33 V34 N39 S40 N41 Y45 | T33-Y37 WeakPolarHBondContact O-CB 3.04Å; T33-Y37 PolarHBondContact O-N 2.93Å; V34-Y37 PolarHBondContact O-N 2.99Å; Y37-N39 VanDerWaalsContact C-N 3.32Å; Y37-N39 PolarHBondContact O-N 3.32Å; Y37-S40 PolarHBondContact O-N 3.34Å; Y37-N41 HydrophobicContact CE1-CB 4.46Å; Y37-N41 PolarHBondContact O-N 2.99Å; Y37-Y45 VanDerWaalsContact C-CE1 3.48Å; Y37-Y45 VanDerWaalsContact CB-OH 3.31Å; Y37-Y45 WeakPolarHBondContact CB-OH 3.26Å; Y37-Y45 AromaticContact CD1-CD1 3.69Å; Y37-Y45 HydrophobicContact CD1-CD1 3.69Å; Y37-Y45 AromaticContact CD1-CD2 3.14Å; Y37-Y45 HydrophobicContact CD1-CD2 3.14Å; Y37-Y45 AromaticContact CD1-CE1 3.43Å; Y37-Y45 HydrophobicContact CD1-CE1 3.43Å; Y37-Y45 VanDerWaalsContact CD1-CE1 3.43Å; Y37-Y45 AromaticContact CD1-CE2 2.84Å; Y37-Y45 HydrophobicContact CD1-CE2 2.84Å; Y37-Y45 AromaticContact CD1-CG 3.54Å; Y37-Y45 HydrophobicContact CD1-CG 3.54Å; Y37-Y45 AromaticContact CD1-CZ 3Å; Y37-Y45 HydrophobicContact CD2-CE2 4.21Å; Y37-Y45 HydrophobicContact CE1-CD1 4.27Å; Y37-Y45 AromaticContact CE1-CD2 2.94Å; Y37-Y45 HydrophobicContact CE1-CD2 2.94Å; Y37-Y45 HydrophobicContact CE1-CE1 4.29Å; Y37-Y45 AromaticContact CE1-CE2 2.97Å; Y37-Y45 HydrophobicContact CE1-CE2 2.97Å; Y37-Y45 AromaticContact CE1-CG 3.65Å; Y37-Y45 HydrophobicContact CE1-CG 3.65Å; Y37-Y45 AromaticContact CE1-CZ 3.7Å; Y37-Y45 HydrophobicContact CE2-CE2 4.29Å; Y37-Y45 HydrophobicContact CG-CD2 4.23Å; Y37-Y45 AromaticContact CG-CE1 3.97Å; Y37-Y45 HydrophobicContact CG-CE1 3.97Å; Y37-Y45 AromaticContact CG-CE2 3.52Å; Y37-Y45 HydrophobicContact CG-CE2 3.52Å; Y37-Y45 AromaticContact CG-CZ 3.35Å; Y37-Y45 AromaticContact CZ-CD2 3.91Å; Y37-Y45 AromaticContact CZ-CE2 3.7Å |
| 38 | F | 60 | Low | 70.2 | Confident | 57 Ų | 57 | 99.9 Ų | 99.9 | 25% | 0.25 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.3 | -86.1 | -67.4 | 0 | 0 | 0 | 113.5 | V34 N35 F36 S40 K42 Y45 I46 T49 | V34-F38 HydrophobicContact CG1-CD2 3.49Å; V34-F38 VanDerWaalsContact CG1-CD2 3.49Å; V34-F38 HydrophobicContact CG1-CE2 3.15Å; V34-F38 HydrophobicContact CG1-CZ 4.29Å; V34-F38 WeakPolarHBondContact O-CD2 3.43Å; V34-F38 PolarHBondContact O-N 2.87Å; N35-F38 WeakPolarHBondContact O-CB 3.47Å; N35-F38 PolarHBondContact O-N 2.97Å; F36-F38 VanDerWaalsContact C-N 3.29Å; F36-F38 PolarHBondContact O-N 3.11Å; F38-S40 PolarHBondContact O-N 3.37Å; F38-K42 WeakPolarHBondContact O-CA 3.3Å; F38-Y45 HydrophobicContact CB-CD1 3.86Å; F38-Y45 HydrophobicContact CB-CE1 3.71Å; F38-Y45 AromaticContact CD1-CD1 2.96Å; F38-Y45 HydrophobicContact CD1-CD1 2.96Å; F38-Y45 AromaticContact CD1-CE1 3.26Å; F38-Y45 HydrophobicContact CD1-CE1 3.26Å; F38-Y45 HydrophobicContact CD1-CG 4.11Å; F38-Y45 HydrophobicContact CD2-CD1 4.04Å; F38-Y45 AromaticContact CD2-CE1 3.38Å; F38-Y45 HydrophobicContact CD2-CE1 3.38Å; F38-Y45 AromaticContact CE1-CD1 3.26Å; F38-Y45 HydrophobicContact CE1-CD1 3.26Å; F38-Y45 AromaticContact CE1-CE1 3.48Å; F38-Y45 HydrophobicContact CE1-CE1 3.48Å; F38-Y45 VanDerWaalsContact CE1-CE1 3.48Å; F38-Y45 HydrophobicContact CE1-CG 4.15Å; F38-Y45 HydrophobicContact CE2-CD1 4.36Å; F38-Y45 AromaticContact CE2-CE1 3.72Å; F38-Y45 HydrophobicContact CE2-CE1 3.72Å; F38-Y45 AromaticContact CG-CD1 3.35Å; F38-Y45 HydrophobicContact CG-CD1 3.35Å; F38-Y45 AromaticContact CG-CE1 3.12Å; F38-Y45 HydrophobicContact CG-CE1 3.12Å; F38-Y45 HydrophobicContact CZ-CD1 4.02Å; F38-Y45 AromaticContact CZ-CE1 3.78Å; F38-Y45 HydrophobicContact CZ-CE1 3.78Å; F38-I46 HydrophobicContact CD1-CG1 4.02Å; F38-I46 HydrophobicContact CE1-CB 4.47Å; F38-I46 HydrophobicContact CE1-CG1 3.93Å; F38-T49 HydrophobicContact CE1-CG2 3.71Å; F38-T49 WeakPolarHBondContact CE1-OG1 3.5Å; F38-T49 HydrophobicContact CE2-CG2 3.88Å; F38-T49 HydrophobicContact CZ-CG2 3.32Å; F38-T49 WeakPolarHBondContact CZ-OG1 3.44Å |
| 39 | N | 66.1 | Low | 68.9 | Low | 120 Ų | 120 | 96.8 Ų | 96.8 | 64% | 0.642 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.5 | -27.8 | -179.2 | -137.5 | -0.1 | 0 | 0 | 0 | 111.8 | N35 F36 Y37 | N35-N39 PolarHBondContact O-N 3.43Å; F36-N39 PolarHBondContact O-N 2.95Å; Y37-N39 VanDerWaalsContact C-N 3.32Å; Y37-N39 PolarHBondContact O-N 3.32Å |
| 40 | S | 64.3 | Low | 67.8 | Low | 84 Ų | 84 | 97 Ų | 97 | 59% | 0.587 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -83.5 | -27.5 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 114.9 | F36 Y37 F38 | F36-S40 PolarHBondContact O-N 3.1Å; F36-S40 PolarHBondContact O-OG 3.36Å; Y37-S40 PolarHBondContact O-N 3.34Å; F38-S40 PolarHBondContact O-N 3.37Å |
| 41 | N | 58.3 | Low | 67 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -133.4 | 46.6 | -170.5 | -87.4 | -38.5 | 0 | 0 | 0 | 113.6 | Y37 L43 Y45 | Y37-N41 HydrophobicContact CE1-CB 4.46Å; Y37-N41 PolarHBondContact O-N 2.99Å; N41-L43 PolarHBondContact O-N 3.01Å; N41-Y45 WeakPolarHBondContact O-CB 3.43Å; N41-Y45 PolarHBondContact O-N 3.21Å |
| 42 | K | 57.2 | Low | 66.3 | Low | 146 Ų | 146 | 101.1 Ų | 101.1 | 64% | 0.635 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -15.3 | -155.9 | -148.3 | 170.6 | -175.5 | 173.3 | 0 | 118.9 | F38 I46 | F38-K42 WeakPolarHBondContact O-CA 3.3Å; K42-I46 WeakPolarHBondContact O-CD1 3.48Å |
| 43 | L | 55.8 | Low | 65.3 | Low | 160 Ų | 160 | 98.5 Ų | 98.5 | 84% | 0.838 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -46.7 | -175.4 | -85 | 156.3 | 0 | 0 | 0 | 114.9 | N41 Y45 | N41-L43 PolarHBondContact O-N 3.01Å; L43-Y45 VanDerWaalsContact C-N 3.32Å |
| 44 | M | 55.7 | Low | 64.9 | Low | 155 Ų | 155 | 102 Ų | 102 | 76% | 0.764 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -25.8 | 177.4 | -161.8 | 175 | -172.2 | 0 | 0 | 112 | I48 | M44-I48 HydrophobicContact CG-CD1 4.09Š|
| 45 | Y | 54.4 | Low | 64.7 | Low | 24 Ų | 24 | 105.7 Ų | 105.7 | 9% | 0.094 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -77.1 | -23.5 | -175.1 | -175.3 | -115.2 | 0 | 0 | 0 | 113.4 | V34 Y37 F38 N41 L43 Q47 I48 T49 | V34-Y45 PolarHBondContact O-OH 3.46Å; Y37-Y45 VanDerWaalsContact C-CE1 3.48Å; Y37-Y45 VanDerWaalsContact CB-OH 3.31Å; Y37-Y45 WeakPolarHBondContact CB-OH 3.26Å; Y37-Y45 AromaticContact CD1-CD1 3.69Å; Y37-Y45 HydrophobicContact CD1-CD1 3.69Å; Y37-Y45 AromaticContact CD1-CD2 3.14Å; Y37-Y45 HydrophobicContact CD1-CD2 3.14Å; Y37-Y45 AromaticContact CD1-CE1 3.43Å; Y37-Y45 HydrophobicContact CD1-CE1 3.43Å; Y37-Y45 VanDerWaalsContact CD1-CE1 3.43Å; Y37-Y45 AromaticContact CD1-CE2 2.84Å; Y37-Y45 HydrophobicContact CD1-CE2 2.84Å; Y37-Y45 AromaticContact CD1-CG 3.54Å; Y37-Y45 HydrophobicContact CD1-CG 3.54Å; Y37-Y45 AromaticContact CD1-CZ 3Å; Y37-Y45 HydrophobicContact CD2-CE2 4.21Å; Y37-Y45 HydrophobicContact CE1-CD1 4.27Å; Y37-Y45 AromaticContact CE1-CD2 2.94Å; Y37-Y45 HydrophobicContact CE1-CD2 2.94Å; Y37-Y45 HydrophobicContact CE1-CE1 4.29Å; Y37-Y45 AromaticContact CE1-CE2 2.97Å; Y37-Y45 HydrophobicContact CE1-CE2 2.97Å; Y37-Y45 AromaticContact CE1-CG 3.65Å; Y37-Y45 HydrophobicContact CE1-CG 3.65Å; Y37-Y45 AromaticContact CE1-CZ 3.7Å; Y37-Y45 HydrophobicContact CE2-CE2 4.29Å; Y37-Y45 HydrophobicContact CG-CD2 4.23Å; Y37-Y45 AromaticContact CG-CE1 3.97Å; Y37-Y45 HydrophobicContact CG-CE1 3.97Å; Y37-Y45 AromaticContact CG-CE2 3.52Å; Y37-Y45 HydrophobicContact CG-CE2 3.52Å; Y37-Y45 AromaticContact CG-CZ 3.35Å; Y37-Y45 AromaticContact CZ-CD2 3.91Å; Y37-Y45 AromaticContact CZ-CE2 3.7Å; F38-Y45 HydrophobicContact CB-CD1 3.86Å; F38-Y45 HydrophobicContact CB-CE1 3.71Å; F38-Y45 AromaticContact CD1-CD1 2.96Å; F38-Y45 HydrophobicContact CD1-CD1 2.96Å; F38-Y45 AromaticContact CD1-CE1 3.26Å; F38-Y45 HydrophobicContact CD1-CE1 3.26Å; F38-Y45 HydrophobicContact CD1-CG 4.11Å; F38-Y45 HydrophobicContact CD2-CD1 4.04Å; F38-Y45 AromaticContact CD2-CE1 3.38Å; F38-Y45 HydrophobicContact CD2-CE1 3.38Å; F38-Y45 AromaticContact CE1-CD1 3.26Å; F38-Y45 HydrophobicContact CE1-CD1 3.26Å; F38-Y45 AromaticContact CE1-CE1 3.48Å; F38-Y45 HydrophobicContact CE1-CE1 3.48Å; F38-Y45 VanDerWaalsContact CE1-CE1 3.48Å; F38-Y45 HydrophobicContact CE1-CG 4.15Å; F38-Y45 HydrophobicContact CE2-CD1 4.36Å; F38-Y45 AromaticContact CE2-CE1 3.72Å; F38-Y45 HydrophobicContact CE2-CE1 3.72Å; F38-Y45 AromaticContact CG-CD1 3.35Å; F38-Y45 HydrophobicContact CG-CD1 3.35Å; F38-Y45 AromaticContact CG-CE1 3.12Å; F38-Y45 HydrophobicContact CG-CE1 3.12Å; F38-Y45 HydrophobicContact CZ-CD1 4.02Å; F38-Y45 AromaticContact CZ-CE1 3.78Å; F38-Y45 HydrophobicContact CZ-CE1 3.78Å; N41-Y45 WeakPolarHBondContact O-CB 3.43Å; N41-Y45 PolarHBondContact O-N 3.21Å; L43-Y45 VanDerWaalsContact C-N 3.32Å; Y45-Q47 PolarHBondContact O-N 2.96Å; Y45-I48 PolarHBondContact O-N 3.19Å; Y45-T49 HydrophobicContact CD1-CG2 3.73Å; Y45-T49 HydrophobicContact CD2-CG2 3.52Å; Y45-T49 HydrophobicContact CE1-CG2 3.33Å; Y45-T49 HydrophobicContact CE2-CG2 3.07Å; Y45-T49 HydrophobicContact CG-CG2 3.85Å; Y45-T49 WeakPolarHBondContact O-CB 3.44Å; Y45-T49 WeakPolarHBondContact O-CG2 3.45Å; Y45-T49 PolarHBondContact O-N 2.93Å; Y45-T49 PolarHBondContact O-OG1 3.02Å; Y45-T49 WeakPolarHBondContact OH-CG2 3.37Å |
| 46 | I | 59.6 | Low | 64.9 | Low | 78 Ų | 78 | 104 Ų | 104 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -32.7 | 178.2 | -64.6 | 175.4 | 0 | 0 | 0 | 113.9 | F38 K42 T49 K50 | F38-I46 HydrophobicContact CD1-CG1 4.02Å; F38-I46 HydrophobicContact CE1-CB 4.47Å; F38-I46 HydrophobicContact CE1-CG1 3.93Å; K42-I46 WeakPolarHBondContact O-CD1 3.48Å; I46-T49 PolarHBondContact O-OG1 2.79Å; I46-K50 WeakPolarHBondContact O-CG 3.31Å |
| 47 | Q | 59 | Low | 64.7 | Low | 160 Ų | 160 | 101.4 Ų | 101.4 | 75% | 0.748 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -82.7 | -42.6 | 175.8 | -94.9 | 173.5 | -45.3 | 0 | 0 | 112.5 | Y45 T49 K50 H51 | Y45-Q47 PolarHBondContact O-N 2.96Å; Q47-T49 PolarHBondContact O-N 3.36Å; Q47-K50 PolarHBondContact O-N 3.17Å; Q47-H51 PolarHBondContact O-N 2.92Å |
| 48 | I | 62.9 | Low | 64.9 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | -177 | -62.1 | 169.8 | 0 | 0 | 0 | 110.6 | M44 Y45 H51 H52 | M44-I48 HydrophobicContact CG-CD1 4.09Å; Y45-I48 PolarHBondContact O-N 3.19Å; I48-H51 PolarHBondContact O-N 3.02Å; I48-H52 VanDerWaalsContact O-CB 3.25Å; I48-H52 WeakPolarHBondContact O-CB 3.24Å; I48-H52 PolarHBondContact O-N 3.32Å |
| 49 | T | 62.5 | Low | 65.5 | Low | 8 Ų | 8 | 100.7 Ų | 100.7 | 5% | 0.049 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 176.2 | 44.3 | 0 | 0 | 0 | 0 | 114.7 | F38 Y45 I46 Q47 H51 H52 V53 | F38-T49 HydrophobicContact CE1-CG2 3.71Å; F38-T49 WeakPolarHBondContact CE1-OG1 3.5Å; F38-T49 HydrophobicContact CE2-CG2 3.88Å; F38-T49 HydrophobicContact CZ-CG2 3.32Å; F38-T49 WeakPolarHBondContact CZ-OG1 3.44Å; Y45-T49 HydrophobicContact CD1-CG2 3.73Å; Y45-T49 HydrophobicContact CD2-CG2 3.52Å; Y45-T49 HydrophobicContact CE1-CG2 3.33Å; Y45-T49 HydrophobicContact CE2-CG2 3.07Å; Y45-T49 HydrophobicContact CG-CG2 3.85Å; Y45-T49 WeakPolarHBondContact O-CB 3.44Å; Y45-T49 WeakPolarHBondContact O-CG2 3.45Å; Y45-T49 PolarHBondContact O-N 2.93Å; Y45-T49 PolarHBondContact O-OG1 3.02Å; Y45-T49 WeakPolarHBondContact OH-CG2 3.37Å; I46-T49 PolarHBondContact O-OG1 2.79Å; Q47-T49 PolarHBondContact O-N 3.36Å; T49-H51 PolarHBondContact O-N 2.93Å; T49-H52 PolarHBondContact O-N 3.45Å; T49-V53 WeakPolarHBondContact O-CA 3.24Å; T49-V53 WeakPolarHBondContact O-CB 3.45Å; T49-V53 WeakPolarHBondContact O-CG2 3.33Å; T49-V53 PolarHBondContact O-N 3.5Å |
| 50 | K | 67 | Low | 65.8 | Low | 144 Ų | 144 | 100.5 Ų | 100.5 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 176.9 | -83 | -177.3 | 177.3 | -178.1 | 0 | 110.5 | I46 Q47 Q54 | I46-K50 WeakPolarHBondContact O-CG 3.31Å; Q47-K50 PolarHBondContact O-N 3.17Å; K50-Q54 WeakPolarHBondContact O-CB 3.28Å; K50-Q54 VanDerWaalsContact O-CG 3.27Å; K50-Q54 WeakPolarHBondContact O-CG 3.34Å; K50-Q54 PolarHBondContact O-N 3.45Å; K50-Q54 VanDerWaalsContact O-N 3.14Å |
| 51 | H | 69.3 | Low | 66 | Low | 112 Ų | 112 | 101.5 Ų | 101.5 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -49.9 | 175.2 | -169.9 | -77.1 | 0 | 0 | 0 | 111.7 | Q47 I48 T49 Q54 E55 | Q47-H51 PolarHBondContact O-N 2.92Å; I48-H51 PolarHBondContact O-N 3.02Å; T49-H51 PolarHBondContact O-N 2.93Å; H51-Q54 WeakPolarHBondContact O-CB 3.43Å; H51-Q54 PolarHBondContact O-N 3.14Å; H51-E55 IonicContact CE1-OE1 3.3Å; H51-E55 PolarHBondContact CE1-OE1 2.99Å; H51-E55 VanDerWaalsContact CE1-OE1 3.3Å; H51-E55 IonicContact CE1-OE2 3.94Å; H51-E55 IonicContact ND1-OE1 3.88Å; H51-E55 IonicContact ND1-OE2 3.75Å; H51-E55 PolarHBondContact O-N 3.38Å |
| 52 | H | 68 | Low | 67 | Low | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.3 | -34 | -174 | -152.5 | -36.4 | 0 | 0 | 0 | 113.2 | I48 T49 E55 I56 | I48-H52 VanDerWaalsContact O-CB 3.25Å; I48-H52 WeakPolarHBondContact O-CB 3.24Å; I48-H52 PolarHBondContact O-N 3.32Å; T49-H52 PolarHBondContact O-N 3.45Å; H52-E55 PolarHBondContact O-N 3.47Å; H52-I56 WeakPolarHBondContact O-CB 3.39Å; H52-I56 VanDerWaalsContact O-CG1 3.23Å; H52-I56 WeakPolarHBondContact O-CG1 3.46Å; H52-I56 PolarHBondContact O-N 3.49Å |
| 53 | V | 68.2 | Low | 67.7 | Low | 46 Ų | 46 | 101.2 Ų | 101.2 | 28% | 0.279 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.9 | -36.4 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | T49 I56 H57 | T49-V53 WeakPolarHBondContact O-CA 3.24Å; T49-V53 WeakPolarHBondContact O-CB 3.45Å; T49-V53 WeakPolarHBondContact O-CG2 3.33Å; T49-V53 PolarHBondContact O-N 3.5Å; V53-I56 PolarHBondContact O-N 3.3Å; V53-H57 WeakPolarHBondContact O-CB 3.5Å; V53-H57 PolarHBondContact O-CD2 3.04Å; V53-H57 VanDerWaalsContact O-CD2 3.24Å; V53-H57 PolarHBondContact O-N 3.29Å |
| 54 | Q | 76.7 | Confident | 68.2 | Low | 142 Ų | 142 | 97.6 Ų | 97.6 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 171.3 | -80.7 | 179.6 | -20 | 0 | 0 | 112 | K50 H51 H57 L58 | K50-Q54 WeakPolarHBondContact O-CB 3.28Å; K50-Q54 VanDerWaalsContact O-CG 3.27Å; K50-Q54 WeakPolarHBondContact O-CG 3.34Å; K50-Q54 PolarHBondContact O-N 3.45Å; K50-Q54 VanDerWaalsContact O-N 3.14Å; H51-Q54 WeakPolarHBondContact O-CB 3.43Å; H51-Q54 PolarHBondContact O-N 3.14Å; Q54-H57 PolarHBondContact O-N 3.45Å; Q54-L58 VanDerWaalsContact O-CB 3.31Å; Q54-L58 WeakPolarHBondContact O-CB 3.47Å; Q54-L58 PolarHBondContact O-N 2.94Å |
| 55 | E | 72.1 | Confident | 68.6 | Low | 103 Ų | 103 | 93.9 Ų | 93.9 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 175.7 | -76.5 | -175.7 | 150.3 | 0 | 0 | 112.5 | H51 H52 L58 S59 | H51-E55 IonicContact CE1-OE1 3.3Å; H51-E55 PolarHBondContact CE1-OE1 2.99Å; H51-E55 VanDerWaalsContact CE1-OE1 3.3Å; H51-E55 IonicContact CE1-OE2 3.94Å; H51-E55 IonicContact ND1-OE1 3.88Å; H51-E55 IonicContact ND1-OE2 3.75Å; H51-E55 PolarHBondContact O-N 3.38Å; H52-E55 PolarHBondContact O-N 3.47Å; E55-L58 PolarHBondContact O-N 3.34Å; E55-S59 VanDerWaalsContact O-CB 3.25Å; E55-S59 WeakPolarHBondContact O-CB 3.08Å; E55-S59 PolarHBondContact O-N 3.38Å |
| 56 | I | 77.2 | Confident | 69.2 | Low | 73 Ų | 73 | 96.5 Ų | 96.5 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 176.6 | -69.5 | 165 | 0 | 0 | 0 | 110.5 | H52 V53 S59 F60 | H52-I56 WeakPolarHBondContact O-CB 3.39Å; H52-I56 VanDerWaalsContact O-CG1 3.23Å; H52-I56 WeakPolarHBondContact O-CG1 3.46Å; H52-I56 PolarHBondContact O-N 3.49Å; V53-I56 PolarHBondContact O-N 3.3Å; I56-S59 PolarHBondContact O-N 2.93Å; I56-F60 VanDerWaalsContact O-CB 3.26Å; I56-F60 WeakPolarHBondContact O-CB 3.38Å; I56-F60 PolarHBondContact O-N 3.38Å |
| 57 | H | 72.6 | Confident | 69.3 | Low | 101 Ų | 101 | 100.5 Ų | 100.5 | 47% | 0.468 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 176.8 | -89.1 | -66.1 | 0 | 0 | 0 | 112.5 | V53 Q54 F60 L61 | V53-H57 WeakPolarHBondContact O-CB 3.5Å; V53-H57 PolarHBondContact O-CD2 3.04Å; V53-H57 VanDerWaalsContact O-CD2 3.24Å; V53-H57 PolarHBondContact O-N 3.29Å; Q54-H57 PolarHBondContact O-N 3.45Å; H57-F60 PolarHBondContact O-N 3.01Å; H57-L61 WeakPolarHBondContact O-CB 3.37Å; H57-L61 PolarHBondContact O-N 2.94Å |
| 58 | L | 76.3 | Confident | 69.3 | Low | 109 Ų | 109 | 97.6 Ų | 97.6 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.1 | -45.5 | 178.6 | -170.9 | 74 | 0 | 0 | 0 | 111.1 | Q54 E55 F60 L61 I62 | Q54-L58 VanDerWaalsContact O-CB 3.31Å; Q54-L58 WeakPolarHBondContact O-CB 3.47Å; Q54-L58 PolarHBondContact O-N 2.94Å; E55-L58 PolarHBondContact O-N 3.34Å; L58-F60 VanDerWaalsContact C-N 3.31Å; L58-F60 PolarHBondContact O-N 3.46Å; L58-L61 PolarHBondContact O-N 2.96Å; L58-I62 HydrophobicContact CG-CD1 4.09Å; L58-I62 VanDerWaalsContact O-CG1 3.26Å; L58-I62 WeakPolarHBondContact O-CG1 3.41Å; L58-I62 PolarHBondContact O-N 2.75Å |
| 59 | S | 71.6 | Confident | 69 | Low | 61 Ų | 61 | 97.4 Ų | 97.4 | 43% | 0.427 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 178.1 | -158.6 | 0 | 0 | 0 | 0 | 111.9 | E55 I56 K63 | E55-S59 VanDerWaalsContact O-CB 3.25Å; E55-S59 WeakPolarHBondContact O-CB 3.08Å; E55-S59 PolarHBondContact O-N 3.38Å; I56-S59 PolarHBondContact O-N 2.93Å; S59-K63 WeakPolarHBondContact O-CG 3.36Å; S59-K63 PolarHBondContact O-N 3.5Å |
| 60 | F | 72.5 | Confident | 68.6 | Low | 116 Ų | 116 | 104.3 Ų | 104.3 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 173.8 | -173.9 | -98.4 | 0 | 0 | 0 | 112 | I56 H57 L58 I62 K63 L64 | I56-F60 VanDerWaalsContact O-CB 3.26Å; I56-F60 WeakPolarHBondContact O-CB 3.38Å; I56-F60 PolarHBondContact O-N 3.38Å; H57-F60 PolarHBondContact O-N 3.01Å; L58-F60 VanDerWaalsContact C-N 3.31Å; L58-F60 PolarHBondContact O-N 3.46Å; F60-I62 VanDerWaalsContact C-N 3.34Å; F60-I62 PolarHBondContact O-N 3.43Å; F60-K63 PolarHBondContact O-N 2.9Å; F60-L64 HydrophobicContact CD1-CD1 4.26Å; F60-L64 HydrophobicContact CE1-CD1 3.46Å; F60-L64 VanDerWaalsContact CE1-CD1 3.46Å; F60-L64 HydrophobicContact CZ-CD1 3.75Å; F60-L64 VanDerWaalsContact O-CB 3.31Å; F60-L64 WeakPolarHBondContact O-CB 3.44Å; F60-L64 PolarHBondContact O-N 2.99Å |
| 61 | L | 70.1 | Confident | 68 | Low | 105 Ų | 105 | 100.1 Ų | 100.1 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 175.4 | -108 | 156.7 | 0 | 0 | 0 | 112.1 | H57 L58 L64 N65 | H57-L61 WeakPolarHBondContact O-CB 3.37Å; H57-L61 PolarHBondContact O-N 2.94Å; L58-L61 PolarHBondContact O-N 2.96Å; L61-L64 PolarHBondContact O-N 3.26Å; L61-N65 VanDerWaalsContact O-CB 3.3Å; L61-N65 WeakPolarHBondContact O-CB 3.35Å; L61-N65 PolarHBondContact O-N 2.85Å |
| 62 | I | 78.7 | Confident | 67.2 | Low | 106 Ų | 106 | 98.7 Ų | 98.7 | 54% | 0.544 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 177.4 | -69.2 | 164.3 | 0 | 0 | 0 | 110.6 | L58 F60 L64 N65 S66 | L58-I62 HydrophobicContact CG-CD1 4.09Å; L58-I62 VanDerWaalsContact O-CG1 3.26Å; L58-I62 WeakPolarHBondContact O-CG1 3.41Å; L58-I62 PolarHBondContact O-N 2.75Å; F60-I62 VanDerWaalsContact C-N 3.34Å; F60-I62 PolarHBondContact O-N 3.43Å; I62-L64 PolarHBondContact O-N 3.22Å; I62-N65 PolarHBondContact O-N 3.2Å; I62-S66 PolarHBondContact O-N 2.64Å |
| 63 | K | 71.1 | Confident | 66.5 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -42 | 178.5 | -75.1 | -180 | -179.5 | 179.2 | 0 | 111.5 | S59 F60 N65 S66 F67 | S59-K63 WeakPolarHBondContact O-CG 3.36Å; S59-K63 PolarHBondContact O-N 3.5Å; F60-K63 PolarHBondContact O-N 2.9Å; K63-N65 VanDerWaalsContact C-N 3.32Å; K63-N65 PolarHBondContact O-N 3.05Å; K63-S66 WeakPolarHBondContact CA-OG 3.43Å; K63-S66 PolarHBondContact O-N 2.65Å; K63-S66 VanDerWaalsContact O-N 3.14Å; K63-S66 PolarHBondContact O-OG 2.98Å; K63-F67 VanDerWaalsContact O-CD2 3.24Å; K63-F67 WeakPolarHBondContact O-CD2 3.28Å; K63-F67 PolarHBondContact O-N 2.78Å |
| 64 | L | 66.6 | Low | 65.5 | Low | 85 Ų | 85 | 106.3 Ų | 106.3 | 45% | 0.445 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 179.3 | -155.8 | 143.7 | 0 | 0 | 0 | 111.5 | F60 L61 I62 F67 F68 | F60-L64 HydrophobicContact CD1-CD1 4.26Å; F60-L64 HydrophobicContact CE1-CD1 3.46Å; F60-L64 VanDerWaalsContact CE1-CD1 3.46Å; F60-L64 HydrophobicContact CZ-CD1 3.75Å; F60-L64 VanDerWaalsContact O-CB 3.31Å; F60-L64 WeakPolarHBondContact O-CB 3.44Å; F60-L64 PolarHBondContact O-N 2.99Å; L61-L64 PolarHBondContact O-N 3.26Å; I62-L64 PolarHBondContact O-N 3.22Å; L64-F67 PolarHBondContact O-N 3.06Å; L64-F68 PolarHBondContact O-N 3.01Å; L64-F68 VanDerWaalsContact O-N 3.1Å |
| 65 | N | 63.7 | Low | 64.2 | Low | 76 Ų | 76 | 107.5 Ų | 107.5 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 173 | -158.8 | -3.4 | 0 | 0 | 0 | 112.1 | L61 I62 K63 F68 P69 L72 | L61-N65 VanDerWaalsContact O-CB 3.3Å; L61-N65 WeakPolarHBondContact O-CB 3.35Å; L61-N65 PolarHBondContact O-N 2.85Å; I62-N65 PolarHBondContact O-N 3.2Å; K63-N65 VanDerWaalsContact C-N 3.32Å; K63-N65 PolarHBondContact O-N 3.05Å; N65-F68 CarbonylContact O-C 3.3Å; N65-F68 VanDerWaalsContact O-C 3.3Å; N65-P69 WeakPolarHBondContact O-CA 3.45Å; N65-P69 VanDerWaalsContact O-N 3.17Å; N65-L72 HydrophobicContact CB-CD1 4.43Å; N65-L72 WeakPolarHBondContact OD1-CD1 3.45Å |
| 66 | S | 67.4 | Low | 62.8 | Low | 80 Ų | 80 | 110.5 Ų | 110.5 | 56% | 0.559 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.7 | -31.2 | 174.7 | 71.4 | 0 | 0 | 0 | 0 | 114.2 | I62 K63 | I62-S66 PolarHBondContact O-N 2.64Å; K63-S66 WeakPolarHBondContact CA-OG 3.43Å; K63-S66 PolarHBondContact O-N 2.65Å; K63-S66 VanDerWaalsContact O-N 3.14Å; K63-S66 PolarHBondContact O-OG 2.98Å |
| 67 | F | 61.4 | Low | 61.3 | Low | 162 Ų | 162 | 116.1 Ų | 116.1 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -80.8 | -27.6 | 178.5 | -85 | -72.8 | 0 | 0 | 0 | 112.7 | K63 L64 | K63-F67 VanDerWaalsContact O-CD2 3.24Å; K63-F67 WeakPolarHBondContact O-CD2 3.28Å; K63-F67 PolarHBondContact O-N 2.78Å; L64-F67 PolarHBondContact O-N 3.06Å |
| 68 | F | 59.3 | Low | 60.7 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | trans | -134.6 | 75.1 | 175.3 | -67 | -89.8 | 0 | 0 | 0 | 111.3 | L64 N65 H70 T71 | L64-F68 PolarHBondContact O-N 3.01Å; L64-F68 VanDerWaalsContact O-N 3.1Å; N65-F68 CarbonylContact O-C 3.3Å; N65-F68 VanDerWaalsContact O-C 3.3Å; F68-H70 PolarHBondContact O-N 3.03Å; F68-T71 HydrophobicContact CB-CG2 4.21Å; F68-T71 WeakPolarHBondContact CB-OG1 3.39Å; F68-T71 HydrophobicContact CD1-CG2 4.11Å; F68-T71 HydrophobicContact CG-CG2 4.46Å; F68-T71 PolarHBondContact O-N 3.26Å; F68-T71 PolarHBondContact O-OG1 3.34Å | ||
| 69 | P | 57.7 | Low | 59.9 | Low | 89 Ų | 89 | 117.3 Ų | 117.3 | 58% | 0.578 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -10.6 | -179 | 23.1 | -32.6 | 0 | 0 | 0 | 113.9 | N65 | N65-P69 WeakPolarHBondContact O-CA 3.45Å; N65-P69 VanDerWaalsContact O-N 3.17Å |
| 70 | H | 53.7 | Low | 59.2 | Low | 154 Ų | 154 | 120.4 Ų | 120.4 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 1 | -174.5 | -81.9 | -73 | 0 | 0 | 0 | 115.9 | F68 T73 | F68-H70 PolarHBondContact O-N 3.03Å; H70-T73 PolarHBondContact O-OG1 2.77Å; H70-T73 VanDerWaalsContact O-OG1 3.11Å |
| 71 | T | 53.6 | Low | 58.4 | Low | 55 Ų | 55 | 120.7 Ų | 120.7 | 34% | 0.337 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | -17.7 | 177.7 | 43.1 | 0 | 0 | 0 | 0 | 114.2 | F68 T73 Y74 | F68-T71 HydrophobicContact CB-CG2 4.21Å; F68-T71 WeakPolarHBondContact CB-OG1 3.39Å; F68-T71 HydrophobicContact CD1-CG2 4.11Å; F68-T71 HydrophobicContact CG-CG2 4.46Å; F68-T71 PolarHBondContact O-N 3.26Å; F68-T71 PolarHBondContact O-OG1 3.34Å; T71-T73 VanDerWaalsContact C-N 3.28Å; T71-T73 PolarHBondContact O-N 2.88Å; T71-Y74 PolarHBondContact O-N 3.41Å; T71-Y74 VanDerWaalsContact O-N 3.14Å |
| 72 | L | 52.4 | Low | 57.7 | Low | 82 Ų | 82 | 121.7 Ų | 121.7 | 43% | 0.429 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.5 | -26.1 | 176.9 | -77.6 | 171.7 | 0 | 0 | 0 | 113.3 | N65 Y74 | N65-L72 HydrophobicContact CB-CD1 4.43Å; N65-L72 WeakPolarHBondContact OD1-CD1 3.45Å; L72-Y74 VanDerWaalsContact C-N 3.28Å; L72-Y74 PolarHBondContact O-N 2.91Å |
| 73 | T | 53 | Low | 56.3 | Low | 106 Ų | 106 | 122.7 Ų | 122.7 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.1 | -13.4 | 173.2 | 37.5 | 0 | 0 | 0 | 0 | 114.1 | H70 T71 | H70-T73 PolarHBondContact O-OG1 2.77Å; H70-T73 VanDerWaalsContact O-OG1 3.11Å; T71-T73 VanDerWaalsContact C-N 3.28Å; T71-T73 PolarHBondContact O-N 2.88Å |
| 74 | Y | 48.1 | Very low | 55.2 | Low | 202 Ų | 202 | 122.4 Ų | 122.4 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -96.4 | -19 | -179.2 | -105.2 | -83.2 | 0 | 0 | 0 | 113.9 | T71 L72 | T71-Y74 PolarHBondContact O-N 3.41Å; T71-Y74 VanDerWaalsContact O-N 3.14Å; L72-Y74 VanDerWaalsContact C-N 3.28Å; L72-Y74 PolarHBondContact O-N 2.91Å |
| 75 | F | 49.5 | Very low | 54.4 | Low | 167 Ų | 167 | 125.2 Ų | 125.2 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -102.8 | -5.3 | -179.7 | -75.6 | -78.3 | 0 | 0 | 0 | 114.1 | ||
| 76 | F | 41.6 | Very low | 53.6 | Low | 166 Ų | 166 | 129.3 Ų | 129.3 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | trans | -130.9 | 92.3 | 171.5 | -79.2 | -85.7 | 0 | 0 | 0 | 110.1 | ||||
| 77 | P | 45.5 | Very low | 52.3 | Low | 191 Ų | 191 | 133.8 Ų | 133.8 | 100% | 1.24 | 67% | 0.667 | S | S | * | * | trans | -67 | 0 | 145.5 | 31 | -31.7 | 0 | 0 | 0 | 111.3 |
Retrieved 77 of 77 residues in 59.7 ms
(Link to these results)