| 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 | 34.3 | Very low | 26.7 | Very low | 184 Ų | 184 | 112.3 Ų | 112.3 | 91% | 0.906 | 62% | 0.615 | S | S | * | * | 0 | 19.9 | 0 | -131.4 | 154.7 | 77.9 | 0 | 0 | 114.1 | |||||
| 2 | V | 27 | Very low | 26.9 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 67% | 0.673 | 62% | 0.619 | S | S | * | * | trans | -81.4 | -18.4 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | F5 L6 | V2-F5 PolarHBondContact O-N 3.32Å; V2-L6 HydrophobicContact CG1-CD1 4.27Å | ||
| 3 | C | 22.8 | Very low | 27.3 | Very low | 104 Ų | 104 | 107.7 Ų | 107.7 | 70% | 0.703 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -74.4 | -30 | -176.1 | -71.9 | 0 | 0 | 0 | 0 | 115 | F5 L6 S7 | C3-F5 PolarHBondContact O-N 3.22Å; C3-L6 PolarHBondContact O-N 3.39Å; C3-S7 PolarHBondContact O-N 3.01Å; C3-S7 PolarHBondContact O-OG 2.92Å |
| 4 | A | 25.9 | Very low | 27.5 | Very low | 64 Ų | 64 | 109 Ų | 109 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.9 | -27.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L6 | A4-L6 VanDerWaalsContact C-N 3.26Å; A4-L6 PolarHBondContact O-N 2.96Å |
| 5 | F | 24.3 | Very low | 27.4 | Very low | 101 Ų | 101 | 110.4 Ų | 110.4 | 44% | 0.443 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.7 | -11.4 | 169.4 | -78.5 | -82.8 | 0 | 0 | 0 | 113.5 | V2 C3 F9 A55 M61 | V2-F5 PolarHBondContact O-N 3.32Å; C3-F5 PolarHBondContact O-N 3.22Å; F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 WeakPolarHBondContact O-CD2 3.27Å; F5-F9 WeakPolarHBondContact O-CG 3.34Å; F5-A55 HydrophobicContact CE1-CB 4.5Å; F5-A55 HydrophobicContact CZ-CB 4.14Å; F5-M61 HydrophobicContact CE1-CE 4.14Å; F5-M61 HydrophobicContact CZ-CE 4.17Å |
| 6 | L | 22.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 111.8 Ų | 111.8 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -105.6 | -33.4 | 179.2 | -94.6 | 146 | 0 | 0 | 0 | 112.6 | V2 C3 A4 C8 F9 Y10 | V2-L6 HydrophobicContact CG1-CD1 4.27Å; C3-L6 PolarHBondContact O-N 3.39Å; A4-L6 VanDerWaalsContact C-N 3.26Å; A4-L6 PolarHBondContact O-N 2.96Å; L6-C8 VanDerWaalsContact C-N 3.34Å; L6-C8 PolarHBondContact O-N 3.06Å; L6-F9 CarbonylContact O-C 3.48Å; L6-F9 PolarHBondContact O-N 2.86Å; L6-Y10 PolarHBondContact O-N 2.96Å |
| 7 | S | 24.5 | Very low | 27.5 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.8 | -29.6 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | C3 | C3-S7 PolarHBondContact O-N 3.01Å; C3-S7 PolarHBondContact O-OG 2.92Å |
| 8 | C | 27.2 | Very low | 27.8 | Very low | 103 Ų | 103 | 114.7 Ų | 114.7 | 70% | 0.696 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -17.2 | 171.4 | -122.8 | 0 | 0 | 0 | 0 | 113.2 | L6 Y10 | L6-C8 VanDerWaalsContact C-N 3.34Å; L6-C8 PolarHBondContact O-N 3.06Å; C8-Y10 VanDerWaalsContact C-N 3.32Å |
| 9 | F | 28 | Very low | 28.1 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 48% | 0.482 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | 23.2 | 175.5 | -84.9 | -99.6 | 0 | 0 | 0 | 113.1 | F5 L6 S11 | F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 WeakPolarHBondContact O-CD2 3.27Å; F5-F9 WeakPolarHBondContact O-CG 3.34Å; L6-F9 CarbonylContact O-C 3.48Å; L6-F9 PolarHBondContact O-N 2.86Å; F9-S11 PolarHBondContact O-N 3.01Å |
| 10 | Y | 26.3 | Very low | 28.6 | Very low | 219 Ų | 219 | 117.9 Ų | 117.9 | 86% | 0.859 | 62% | 0.624 | S | S | * | * | trans | -72.1 | 26 | 165.9 | -143.2 | -95.1 | 0 | 0 | 0 | 112.7 | L6 C8 | L6-Y10 PolarHBondContact O-N 2.96Å; C8-Y10 VanDerWaalsContact C-N 3.32Å | ||
| 11 | S | 31.6 | Very low | 29.1 | Very low | 36 Ų | 36 | 116.8 Ų | 116.8 | 25% | 0.252 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -130 | 113 | 173.5 | -153.8 | 0 | 0 | 0 | 0 | 107 | F9 S13 | F9-S11 PolarHBondContact O-N 3.01Å; S11-S13 PolarHBondContact O-N 3.3Å |
| 12 | S | 29 | Very low | 29.1 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | trans | -40.9 | 110.3 | -176.6 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | F14 H29 | S12-F14 PolarHBondContact O-N 3.31Å; S12-H29 PolarHBondContact O-CD2 2.87Å | ||
| 13 | S | 31.5 | Very low | 29.7 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | trans | -68.6 | 101.4 | 163.4 | -66.1 | 0 | 0 | 0 | 0 | 107.7 | S11 F15 | S11-S13 PolarHBondContact O-N 3.3Å; S13-F15 PolarHBondContact O-N 2.97Å | ||
| 14 | F | 29.8 | Very low | 30.5 | Very low | 126 Ų | 126 | 119.7 Ų | 119.7 | 55% | 0.553 | 60% | 0.596 | S | S | * | * | trans | -84.7 | 112.4 | 178.7 | -144.3 | -99.5 | 0 | 0 | 0 | 110.3 | S12 F16 | S12-F14 PolarHBondContact O-N 3.31Å; F14-F16 AromaticContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CE1 4.46Å; F14-F16 AromaticContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CG 4.39Å; F14-F16 AromaticContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CE1-CE1 4.36Å; F14-F16 HydrophobicContact CE1-CE2 4.19Å; F14-F16 HydrophobicContact CE1-CZ 4.07Å; F14-F16 HydrophobicContact CG-CE2 4.47Å; F14-F16 PolarHBondContact O-N 3.49Å | ||
| 15 | F | 27.1 | Very low | 31.4 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | trans | -79.8 | 101.4 | 171.5 | -112.7 | -94.7 | 0 | 0 | 0 | 109.1 | S13 K17 F24 F26 | S13-F15 PolarHBondContact O-N 2.97Å; F15-K17 PolarHBondContact O-N 2.83Å; F15-K17 VanDerWaalsContact O-N 3.15Å; F15-F24 HydrophobicContact CE1-CD1 4.08Å; F15-F24 HydrophobicContact CE1-CE1 4.25Å; F15-F26 HydrophobicContact CE2-CE1 4.43Å; F15-F26 HydrophobicContact CZ-CE1 4.2Å | ||
| 16 | F | 29.8 | Very low | 32.4 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | trans | -76.6 | 102.2 | 169.2 | -89 | -82.7 | 0 | 0 | 0 | 110.3 | F14 N18 | F14-F16 AromaticContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CE1 4.46Å; F14-F16 AromaticContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CG 4.39Å; F14-F16 AromaticContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CE1-CE1 4.36Å; F14-F16 HydrophobicContact CE1-CE2 4.19Å; F14-F16 HydrophobicContact CE1-CZ 4.07Å; F14-F16 HydrophobicContact CG-CE2 4.47Å; F14-F16 PolarHBondContact O-N 3.49Å; F16-N18 PolarHBondContact O-N 3.32Å; F16-N18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | K | 26.2 | Very low | 33.4 | Very low | 199 Ų | 199 | 112 Ų | 112 | 87% | 0.865 | 55% | 0.551 | S | S | * | * | trans | -80.8 | 83.1 | 166 | -163.5 | 177.1 | -174.1 | 177.4 | 0 | 108.5 | F15 K19 | F15-K17 PolarHBondContact O-N 2.83Å; F15-K17 VanDerWaalsContact O-N 3.15Å; K17-K19 PolarHBondContact O-N 2.9Å | ||
| 18 | N | 33.6 | Very low | 34.4 | Very low | 77 Ų | 77 | 109.7 Ų | 109.7 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | trans | -69.6 | 118.7 | 170.9 | -163.6 | -60.7 | 0 | 0 | 0 | 109 | F16 A20 | F16-N18 PolarHBondContact O-N 3.32Å; F16-N18 VanDerWaalsContact O-N 3.16Å; N18-A20 VanDerWaalsContact C-N 3.28Å; N18-A20 PolarHBondContact O-N 3.01Å; N18-A20 PolarHBondContact OD1-N 3Å; N18-A20 VanDerWaalsContact OD1-N 3.13Å | ||
| 19 | K | 33.6 | Very low | 35.1 | Very low | 211 Ų | 211 | 106.7 Ų | 106.7 | 92% | 0.917 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -72.4 | -20.3 | -172.7 | -145.3 | 179.2 | -173.8 | -178.4 | 0 | 112.8 | K17 | K17-K19 PolarHBondContact O-N 2.9Š|
| 20 | A | 38 | Very low | 35.5 | Very low | 81 Ų | 81 | 102 Ų | 102 | 67% | 0.669 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -83.9 | -29 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N18 | N18-A20 VanDerWaalsContact C-N 3.28Å; N18-A20 PolarHBondContact O-N 3.01Å; N18-A20 PolarHBondContact OD1-N 3Å; N18-A20 VanDerWaalsContact OD1-N 3.13Å |
| 21 | E | 37.7 | Very low | 36.1 | Very low | 95 Ų | 95 | 99.1 Ų | 99.1 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -144.9 | 121.1 | 178.8 | -65.4 | -174.1 | 179.5 | 0 | 0 | 108.8 | K23 | E21-K23 HydrophobicContact CB-CD 4.33Å; E21-K23 HydrophobicContact CB-CG 4.2Å; E21-K23 PolarHBondContact O-N 3.12Å; E21-K23 WeakPolarHBondContact OE2-CE 3.36Å; E21-K23 IonicContact OE2-NZ 2.62Å; E21-K23 PolarHBondContact OE2-NZ 3.06Å |
| 22 | R | 35.6 | Very low | 36.4 | Very low | 257 Ų | 257 | 101 Ų | 101 | 97% | 0.97 | 49% | 0.493 | S | S | * | . | trans | -64.1 | 68.5 | 178.7 | -64 | -178.6 | -177 | 174.8 | 0.7 | 111.8 | ||||
| 23 | K | 39.7 | Very low | 37.1 | Very low | 81 Ų | 81 | 97.8 Ų | 97.8 | 35% | 0.352 | 48% | 0.475 | S | S | . | . | trans | -96.8 | 123.8 | 176.9 | -68.6 | 175.1 | 177.2 | 158.5 | 0 | 108.7 | E21 S25 | E21-K23 HydrophobicContact CB-CD 4.33Å; E21-K23 HydrophobicContact CB-CG 4.2Å; E21-K23 PolarHBondContact O-N 3.12Å; E21-K23 WeakPolarHBondContact OE2-CE 3.36Å; E21-K23 IonicContact OE2-NZ 2.62Å; E21-K23 PolarHBondContact OE2-NZ 3.06Å; K23-S25 PolarHBondContact O-N 2.97Å | ||
| 24 | F | 39.3 | Very low | 37.7 | Very low | 122 Ų | 122 | 99.6 Ų | 99.6 | 54% | 0.535 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 110.9 | 164.6 | -79.5 | -86.5 | 0 | 0 | 0 | 107.5 | F15 S38 L39 | F15-F24 HydrophobicContact CE1-CD1 4.08Å; F15-F24 HydrophobicContact CE1-CE1 4.25Å; F24-S38 CarbonylContact O-C 3.51Å; F24-L39 PolarHBondContact O-N 3.09Å |
| 25 | S | 43.8 | Very low | 38.5 | Very low | 31 Ų | 31 | 94.3 Ų | 94.3 | 22% | 0.217 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.7 | 173.4 | -63 | 0 | 0 | 0 | 0 | 109.1 | K23 F37 S38 | K23-S25 PolarHBondContact O-N 2.97Å; S25-F37 CarbonylContact C-O 3.48Å; S25-F37 VanDerWaalsContact CA-O 3.24Å; S25-F37 WeakPolarHBondContact CA-O 3.31Å; S25-S38 WeakPolarHBondContact OG-CB 3.28Å; S25-S38 PolarHBondContact OG-OG 3.5Å |
| 26 | F | 47 | Very low | 39.5 | Very low | 53 Ų | 53 | 93.7 Ų | 93.7 | 23% | 0.232 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123 | 171.4 | -69.7 | -85.1 | 0 | 0 | 0 | 108.8 | F15 F37 L39 F48 | F15-F26 HydrophobicContact CE2-CE1 4.43Å; F15-F26 HydrophobicContact CZ-CE1 4.2Å; F26-F37 PolarHBondContact N-O 3.14Å; F26-F37 PolarHBondContact O-N 3.36Å; F26-L39 HydrophobicContact CD2-CD1 3.7Å; F26-L39 HydrophobicContact CD2-CG 4.11Å; F26-L39 HydrophobicContact CE2-CD1 3.72Å; F26-L39 HydrophobicContact CE2-CG 4.45Å; F26-F48 HydrophobicContact CE1-CE2 4.42Å; F26-F48 HydrophobicContact CZ-CE2 4.25Å; F26-F48 HydrophobicContact CZ-CZ 4.49Å |
| 27 | L | 41.4 | Very low | 40.5 | Very low | 33 Ų | 33 | 89 Ų | 89 | 17% | 0.173 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 102.8 | 171 | 175.5 | 66.8 | 0 | 0 | 0 | 107.1 | H29 I36 | L27-H29 WeakPolarHBondContact CD2-NE2 3.41Å; L27-H29 WeakPolarHBondContact CG-NE2 3.44Å; L27-H29 PolarHBondContact O-N 2.83Å; L27-I36 HydrophobicContact CD1-CB 4.48Å; L27-I36 HydrophobicContact CD1-CD1 4.01Å; L27-I36 HydrophobicContact CD1-CG1 3.26Å; L27-I36 HydrophobicContact CG-CG1 4.46Å |
| 28 | L | 46.9 | Very low | 41.5 | Very low | 41 Ų | 41 | 82.2 Ų | 82.2 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 107.1 | 172 | -62.9 | -176.2 | 0 | 0 | 0 | 108.4 | G35 F37 | L28-G35 PolarHBondContact N-O 3.26Å; L28-G35 PolarHBondContact O-N 3.17Å; L28-F37 HydrophobicContact CB-CE2 4.5Å; L28-F37 HydrophobicContact CD1-CD2 4.07Å; L28-F37 HydrophobicContact CD1-CE2 3.75Å; L28-F37 HydrophobicContact CG-CD2 4.16Å; L28-F37 HydrophobicContact CG-CE2 4.18Å |
| 29 | H | 40.8 | Very low | 42.3 | Very low | 41 Ų | 41 | 79.9 Ų | 79.9 | 19% | 0.19 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.9 | 169.3 | -72.7 | -82 | 0 | 0 | 0 | 110.5 | S12 L27 H34 R85 | S12-H29 PolarHBondContact O-CD2 2.87Å; L27-H29 WeakPolarHBondContact CD2-NE2 3.41Å; L27-H29 WeakPolarHBondContact CG-NE2 3.44Å; L27-H29 PolarHBondContact O-N 2.83Å; H29-H34 AromaticContact CE1-CD2 3.66Å; H29-H34 AromaticContact CE1-NE2 3.75Å; H29-H34 AromaticContact ND1-CD2 3.12Å; H29-H34 PolarHBondContact ND1-CD2 2.81Å; H29-H34 AromaticContact ND1-NE2 3.1Å; H29-H34 PolarHBondContact ND1-NE2 2.77Å; H29-R85 PolarHBondContact O-NH1 3.49Å |
| 30 | S | 37.3 | Very low | 43.1 | Very low | 12 Ų | 12 | 78.7 Ų | 78.7 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.7 | 162.2 | -172 | 0 | 0 | 0 | 0 | 110 | S32 G33 R85 | S30-S32 PolarHBondContact O-N 2.77Å; S30-S32 PolarHBondContact OG-N 3.1Å; S30-G33 WeakPolarHBondContact CB-O 3.37Å; S30-G33 PolarHBondContact N-O 3.41Å; S30-G33 PolarHBondContact O-N 3.18Å; S30-R85 WeakPolarHBondContact OG-CD 3.1Å; S30-R85 PolarHBondContact OG-NH1 2.03Å |
| 31 | F | 38.4 | Very low | 44.1 | Very low | 158 Ų | 158 | 82.7 Ų | 82.7 | 69% | 0.693 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -31.1 | 167 | -178.2 | -90.7 | 0 | 0 | 0 | 112.9 | ||
| 32 | S | 38.7 | Very low | 45.3 | Very low | 76 Ų | 76 | 83 Ų | 83 | 53% | 0.531 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 8.8 | -176.3 | 57.8 | 0 | 0 | 0 | 0 | 115.2 | S30 | S30-S32 PolarHBondContact O-N 2.77Å; S30-S32 PolarHBondContact OG-N 3.1Å |
| 33 | G | 42.3 | Very low | 46.7 | Very low | 26 Ų | 26 | 74.4 Ų | 74.4 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | 134.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S30 Q88 | S30-G33 WeakPolarHBondContact CB-O 3.37Å; S30-G33 PolarHBondContact N-O 3.41Å; S30-G33 PolarHBondContact O-N 3.18Å; G33-Q88 PolarHBondContact O-NE2 3.29Å; G33-Q88 VanDerWaalsContact O-NE2 3.17Å |
| 34 | H | 44 | Very low | 48.1 | Very low | 109 Ų | 109 | 71.1 Ų | 71.1 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.8 | 176.1 | -69.8 | 87.1 | 0 | 0 | 0 | 109.7 | H29 | H29-H34 AromaticContact CE1-CD2 3.66Å; H29-H34 AromaticContact CE1-NE2 3.75Å; H29-H34 AromaticContact ND1-CD2 3.12Å; H29-H34 PolarHBondContact ND1-CD2 2.81Å; H29-H34 AromaticContact ND1-NE2 3.1Å; H29-H34 PolarHBondContact ND1-NE2 2.77Å |
| 35 | G | 47.6 | Very low | 49.6 | Very low | 15 Ų | 15 | 68.2 Ų | 68.2 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L28 | L28-G35 PolarHBondContact N-O 3.26Å; L28-G35 PolarHBondContact O-N 3.17Å |
| 36 | I | 48.6 | Very low | 51.3 | Low | 117 Ų | 117 | 70.9 Ų | 70.9 | 60% | 0.6 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.9 | 169.7 | -63.8 | 167.5 | 0 | 0 | 0 | 108.2 | L27 | L27-I36 HydrophobicContact CD1-CB 4.48Å; L27-I36 HydrophobicContact CD1-CD1 4.01Å; L27-I36 HydrophobicContact CD1-CG1 3.26Å; L27-I36 HydrophobicContact CG-CG1 4.46Å |
| 37 | F | 50.4 | Low | 52.6 | Low | 33 Ų | 33 | 69.7 Ų | 69.7 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 107.5 | 177.9 | -62.5 | -83.1 | 0 | 0 | 0 | 110 | S25 F26 L28 L39 T91 L95 | S25-F37 CarbonylContact C-O 3.48Å; S25-F37 VanDerWaalsContact CA-O 3.24Å; S25-F37 WeakPolarHBondContact CA-O 3.31Å; F26-F37 PolarHBondContact N-O 3.14Å; F26-F37 PolarHBondContact O-N 3.36Å; L28-F37 HydrophobicContact CB-CE2 4.5Å; L28-F37 HydrophobicContact CD1-CD2 4.07Å; L28-F37 HydrophobicContact CD1-CE2 3.75Å; L28-F37 HydrophobicContact CG-CD2 4.16Å; L28-F37 HydrophobicContact CG-CE2 4.18Å; F37-L39 HydrophobicContact CB-CD2 4.39Å; F37-L39 PolarHBondContact O-N 3.3Å; F37-T91 HydrophobicContact CD1-CG2 4.06Å; F37-T91 HydrophobicContact CD2-CG2 4.34Å; F37-T91 HydrophobicContact CE1-CG2 3.6Å; F37-T91 HydrophobicContact CE2-CG2 3.92Å; F37-T91 HydrophobicContact CG-CG2 4.41Å; F37-T91 HydrophobicContact CZ-CG2 3.52Å; F37-L95 HydrophobicContact CD1-CD2 3.73Å; F37-L95 HydrophobicContact CE1-CD2 3.63Å |
| 38 | S | 47.5 | Very low | 54.3 | Low | 58 Ų | 58 | 71.4 Ų | 71.4 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 100.3 | 171.2 | -158.2 | 0 | 0 | 0 | 0 | 110.4 | F24 S25 R40 | F24-S38 CarbonylContact O-C 3.51Å; S25-S38 WeakPolarHBondContact OG-CB 3.28Å; S25-S38 PolarHBondContact OG-OG 3.5Å; S38-R40 PolarHBondContact O-N 3.24Å; S38-R40 VanDerWaalsContact O-N 3.13Å |
| 39 | L | 50.1 | Low | 56 | Low | 27 Ų | 27 | 76.1 Ų | 76.1 | 14% | 0.141 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 88 | 175.7 | -50.7 | -177.1 | 0 | 0 | 0 | 108.8 | F24 F26 F37 C44 M45 F48 | F24-L39 PolarHBondContact O-N 3.09Å; F26-L39 HydrophobicContact CD2-CD1 3.7Å; F26-L39 HydrophobicContact CD2-CG 4.11Å; F26-L39 HydrophobicContact CE2-CD1 3.72Å; F26-L39 HydrophobicContact CE2-CG 4.45Å; F37-L39 HydrophobicContact CB-CD2 4.39Å; F37-L39 PolarHBondContact O-N 3.3Å; L39-C44 HydrophobicContact CB-CB 3.94Å; L39-C44 HydrophobicContact CD2-CB 3.68Å; L39-C44 HydrophobicContact CG-CB 4.3Å; L39-M45 HydrophobicContact CB-SD 4.33Å; L39-M45 HydrophobicContact CD1-SD 4.14Å; L39-F48 HydrophobicContact CD1-CB 4Å; L39-F48 HydrophobicContact CD1-CG 4.49Å |
| 40 | R | 50.4 | Low | 57.9 | Low | 187 Ų | 187 | 80.5 Ų | 80.5 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | trans | -89.1 | -26.5 | 172.8 | -175.7 | 176.3 | 177.4 | 168 | 3.2 | 113 | S38 | S38-R40 PolarHBondContact O-N 3.24Å; S38-R40 VanDerWaalsContact O-N 3.13Å | ||
| 41 | R | 58.9 | Low | 60 | Low | 165 Ų | 165 | 81.5 Ų | 81.5 | 62% | 0.623 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -97.5 | 143 | -168.7 | -60.8 | -84.9 | -138.1 | 126.9 | 7.4 | 111.1 | N43 C44 M45 | R41-N43 PolarHBondContact O-N 2.88Å; R41-C44 HydrophobicContact CB-CB 4.26Å; R41-C44 WeakPolarHBondContact O-CA 3.06Å; R41-C44 VanDerWaalsContact O-CB 3.25Å; R41-C44 WeakPolarHBondContact O-CB 3.29Å; R41-C44 PolarHBondContact O-N 3.21Å; R41-M45 PolarHBondContact O-N 3.42Å |
| 42 | P | 62.5 | Low | 62.1 | Low | 101 Ų | 101 | 77.8 Ų | 77.8 | 66% | 0.656 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.6 | -36.8 | 170.5 | 20.9 | -31.3 | 0 | 0 | 0 | 112 | C44 M45 E46 | P42-C44 PolarHBondContact O-N 3.12Å; P42-M45 WeakPolarHBondContact O-CB 3.26Å; P42-M45 PolarHBondContact O-N 2.89Å; P42-M45 VanDerWaalsContact O-N 3.09Å; P42-E46 PolarHBondContact O-N 3.42Å; P42-E46 VanDerWaalsContact O-N 3.14Å |
| 43 | N | 66.1 | Low | 64.3 | Low | 76 Ų | 76 | 77.9 Ų | 77.9 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -27.1 | 175.9 | -53.8 | 11.7 | 0 | 0 | 0 | 112.9 | R41 E46 Q47 L98 | R41-N43 PolarHBondContact O-N 2.88Å; N43-E46 WeakPolarHBondContact O-CB 3.36Å; N43-Q47 WeakPolarHBondContact O-CG 3.48Å; N43-Q47 PolarHBondContact O-N 3.48Å; N43-L98 HydrophobicContact CB-CD1 3.82Å; N43-L98 HydrophobicContact CB-CD2 4.27Å |
| 44 | C | 67.8 | Low | 66.3 | Low | 12 Ų | 12 | 77.3 Ų | 77.3 | 8% | 0.081 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -75 | -35.3 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | L39 R41 P42 E46 Q47 F48 | L39-C44 HydrophobicContact CB-CB 3.94Å; L39-C44 HydrophobicContact CD2-CB 3.68Å; L39-C44 HydrophobicContact CG-CB 4.3Å; R41-C44 HydrophobicContact CB-CB 4.26Å; R41-C44 WeakPolarHBondContact O-CA 3.06Å; R41-C44 VanDerWaalsContact O-CB 3.25Å; R41-C44 WeakPolarHBondContact O-CB 3.29Å; R41-C44 PolarHBondContact O-N 3.21Å; P42-C44 PolarHBondContact O-N 3.12Å; C44-E46 VanDerWaalsContact C-N 3.29Å; C44-E46 PolarHBondContact O-N 2.99Å; C44-Q47 WeakPolarHBondContact O-CB 3.49Å; C44-Q47 PolarHBondContact O-N 2.88Å; C44-Q47 VanDerWaalsContact O-N 3.17Å; C44-F48 PolarHBondContact O-N 2.97Å |
| 45 | M | 71.6 | Confident | 68.1 | Low | 61 Ų | 61 | 73.2 Ų | 73.2 | 30% | 0.3 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 172.4 | -68.3 | -57.5 | -57.7 | 0 | 0 | 111.4 | L39 R41 P42 Q47 F48 Y49 | L39-M45 HydrophobicContact CB-SD 4.33Å; L39-M45 HydrophobicContact CD1-SD 4.14Å; R41-M45 PolarHBondContact O-N 3.42Å; P42-M45 WeakPolarHBondContact O-CB 3.26Å; P42-M45 PolarHBondContact O-N 2.89Å; P42-M45 VanDerWaalsContact O-N 3.09Å; M45-Q47 VanDerWaalsContact C-N 3.29Å; M45-Q47 PolarHBondContact O-N 3.25Å; M45-F48 HydrophobicContact CE-CD1 4.42Å; M45-F48 WeakPolarHBondContact O-CB 3.45Å; M45-F48 PolarHBondContact O-N 3.13Å; M45-F48 VanDerWaalsContact O-N 3.15Å; M45-Y49 HydrophobicContact CB-CE2 4.46Å; M45-Y49 WeakPolarHBondContact O-CD2 3.44Å; M45-Y49 PolarHBondContact O-N 2.62Å |
| 46 | E | 78.2 | Confident | 70 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 171.4 | -164.4 | -164.2 | 144.1 | 0 | 0 | 112 | P42 N43 C44 F48 Y49 R50 | P42-E46 PolarHBondContact O-N 3.42Å; P42-E46 VanDerWaalsContact O-N 3.14Å; N43-E46 WeakPolarHBondContact O-CB 3.36Å; C44-E46 VanDerWaalsContact C-N 3.29Å; C44-E46 PolarHBondContact O-N 2.99Å; E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 2.94Å; E46-Y49 PolarHBondContact O-N 3.36Å; E46-R50 WeakPolarHBondContact O-CG 3.38Å; E46-R50 PolarHBondContact O-N 3.44Å; E46-R50 IonicContact OE1-CZ 3.42Å; E46-R50 IonicContact OE1-NE 3.18Å; E46-R50 PolarHBondContact OE1-NE 3.25Å; E46-R50 IonicContact OE1-NH2 2.77Å; E46-R50 PolarHBondContact OE1-NH2 2.94Å |
| 47 | Q | 76.1 | Confident | 71.8 | Confident | 28 Ų | 28 | 79.3 Ų | 79.3 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 175.4 | -55.9 | -46.2 | -50.6 | 0 | 0 | 112.1 | N43 C44 M45 Y49 R50 L51 L94 L98 | N43-Q47 WeakPolarHBondContact O-CG 3.48Å; N43-Q47 PolarHBondContact O-N 3.48Å; C44-Q47 WeakPolarHBondContact O-CB 3.49Å; C44-Q47 PolarHBondContact O-N 2.88Å; C44-Q47 VanDerWaalsContact O-N 3.17Å; M45-Q47 VanDerWaalsContact C-N 3.29Å; M45-Q47 PolarHBondContact O-N 3.25Å; Q47-Y49 VanDerWaalsContact C-N 3.34Å; Q47-Y49 PolarHBondContact O-N 2.84Å; Q47-R50 WeakPolarHBondContact O-CB 3.25Å; Q47-R50 PolarHBondContact O-N 3.21Å; Q47-L51 WeakPolarHBondContact O-CG 3.45Å; Q47-L51 PolarHBondContact O-N 3.5Å; Q47-L94 HydrophobicContact CB-CB 4.44Å; Q47-L94 HydrophobicContact CG-CB 4.49Å; Q47-L98 HydrophobicContact CG-CD2 3.78Å |
| 48 | F | 75.5 | Confident | 73.4 | Confident | 69 Ų | 69 | 84 Ų | 84 | 30% | 0.303 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 173.9 | 179.1 | -98.2 | 0 | 0 | 0 | 111.9 | F26 L39 C44 M45 E46 R50 L51 L52 | F26-F48 HydrophobicContact CE1-CE2 4.42Å; F26-F48 HydrophobicContact CZ-CE2 4.25Å; F26-F48 HydrophobicContact CZ-CZ 4.49Å; L39-F48 HydrophobicContact CD1-CB 4Å; L39-F48 HydrophobicContact CD1-CG 4.49Å; C44-F48 PolarHBondContact O-N 2.97Å; M45-F48 HydrophobicContact CE-CD1 4.42Å; M45-F48 WeakPolarHBondContact O-CB 3.45Å; M45-F48 PolarHBondContact O-N 3.13Å; M45-F48 VanDerWaalsContact O-N 3.15Å; E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 2.94Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.03Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.25Å; F48-L52 WeakPolarHBondContact O-CB 3.22Å; F48-L52 PolarHBondContact O-N 3.46Å |
| 49 | Y | 83 | Confident | 75.2 | Confident | 140 Ų | 140 | 85.3 Ų | 85.3 | 55% | 0.549 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.4 | -70.3 | -60.5 | 0 | 0 | 0 | 112.1 | M45 E46 Q47 L51 L52 S53 | M45-Y49 HydrophobicContact CB-CE2 4.46Å; M45-Y49 WeakPolarHBondContact O-CD2 3.44Å; M45-Y49 PolarHBondContact O-N 2.62Å; E46-Y49 PolarHBondContact O-N 3.36Å; Q47-Y49 VanDerWaalsContact C-N 3.34Å; Q47-Y49 PolarHBondContact O-N 2.84Å; Y49-L51 PolarHBondContact O-N 2.83Å; Y49-L52 PolarHBondContact O-N 3Å; Y49-S53 WeakPolarHBondContact O-CB 3.38Å; Y49-S53 PolarHBondContact O-N 3.06Å; Y49-S53 PolarHBondContact O-OG 3.4Å; Y49-S53 VanDerWaalsContact O-OG 3.09Å |
| 50 | R | 81.8 | Confident | 76.8 | Confident | 134 Ų | 134 | 86.4 Ų | 86.4 | 51% | 0.506 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 174.4 | -68.9 | 170.8 | -178.1 | -93.7 | 0.9 | 112.3 | E46 Q47 F48 S53 C54 L94 | E46-R50 WeakPolarHBondContact O-CG 3.38Å; E46-R50 PolarHBondContact O-N 3.44Å; E46-R50 IonicContact OE1-CZ 3.42Å; E46-R50 IonicContact OE1-NE 3.18Å; E46-R50 PolarHBondContact OE1-NE 3.25Å; E46-R50 IonicContact OE1-NH2 2.77Å; E46-R50 PolarHBondContact OE1-NH2 2.94Å; Q47-R50 WeakPolarHBondContact O-CB 3.25Å; Q47-R50 PolarHBondContact O-N 3.21Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.03Å; R50-S53 PolarHBondContact O-N 2.93Å; R50-C54 PolarHBondContact O-N 2.77Å; R50-L94 HydrophobicContact CB-CD1 4.12Å |
| 51 | L | 80 | Confident | 78.2 | Confident | 32 Ų | 32 | 79.7 Ų | 79.7 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 173.8 | -72.6 | 166.5 | 0 | 0 | 0 | 111.7 | Q47 F48 Y49 S53 C54 A55 I90 T91 L94 | Q47-L51 WeakPolarHBondContact O-CG 3.45Å; Q47-L51 PolarHBondContact O-N 3.5Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.25Å; Y49-L51 PolarHBondContact O-N 2.83Å; L51-S53 PolarHBondContact O-N 2.74Å; L51-C54 WeakPolarHBondContact O-CB 3.19Å; L51-C54 PolarHBondContact O-N 3.42Å; L51-A55 PolarHBondContact O-N 2.97Å; L51-I90 HydrophobicContact CD2-CB 3.95Å; L51-I90 HydrophobicContact CD2-CG2 3.52Å; L51-T91 HydrophobicContact CD1-CG2 4.13Å; L51-T91 WeakPolarHBondContact CD1-OG1 3.1Å; L51-T91 WeakPolarHBondContact CD2-OG1 3.15Å; L51-L94 HydrophobicContact CD2-CD1 3.89Å; L51-L94 HydrophobicContact CG-CD1 3.79Å |
| 52 | L | 83.1 | Confident | 79.3 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.1 | -177.4 | 61.8 | 0 | 0 | 0 | 111.7 | F48 Y49 C54 A55 L56 | F48-L52 WeakPolarHBondContact O-CB 3.22Å; F48-L52 PolarHBondContact O-N 3.46Å; Y49-L52 PolarHBondContact O-N 3Å; L52-C54 VanDerWaalsContact C-N 3.34Å; L52-C54 PolarHBondContact O-N 2.69Å; L52-A55 WeakPolarHBondContact O-CA 3.39Å; L52-A55 WeakPolarHBondContact O-CB 2.83Å; L52-A55 PolarHBondContact O-N 3.15Å; L52-A55 VanDerWaalsContact O-N 3.08Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 2.88Å |
| 53 | S | 85.4 | Confident | 80.2 | Confident | 78 Ų | 78 | 72 Ų | 72 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | Y49 R50 L51 A55 L56 E57 | Y49-S53 WeakPolarHBondContact O-CB 3.38Å; Y49-S53 PolarHBondContact O-N 3.06Å; Y49-S53 PolarHBondContact O-OG 3.4Å; Y49-S53 VanDerWaalsContact O-OG 3.09Å; R50-S53 PolarHBondContact O-N 2.93Å; L51-S53 PolarHBondContact O-N 2.74Å; S53-A55 PolarHBondContact O-N 3.29Å; S53-L56 PolarHBondContact O-N 3.3Å; S53-E57 PolarHBondContact O-N 3.46Å |
| 54 | C | 83.1 | Confident | 81 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 9% | 0.088 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -31.4 | 172.6 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | R50 L51 L52 L56 E57 C60 I90 | R50-C54 PolarHBondContact O-N 2.77Å; L51-C54 WeakPolarHBondContact O-CB 3.19Å; L51-C54 PolarHBondContact O-N 3.42Å; L52-C54 VanDerWaalsContact C-N 3.34Å; L52-C54 PolarHBondContact O-N 2.69Å; C54-L56 VanDerWaalsContact C-N 3.25Å; C54-L56 PolarHBondContact O-N 3.11Å; C54-E57 PolarHBondContact O-N 3.28Å; C54-C60 VanDerWaalsContact CA-SG 3.51Å; C54-C60 HydrophobicContact CB-CB 4.11Å; C54-C60 WeakPolarHBondContact CB-SG 3.3Å; C54-C60 VanDerWaalsContact O-CB 3.3Å; C54-C60 WeakPolarHBondContact O-CB 3.45Å; C54-C60 VanDerWaalsContact SG-C 3.59Å; C54-C60 WeakPolarHBondContact SG-CB 3.08Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.96Å; C54-I90 WeakPolarHBondContact SG-CD1 3.23Å |
| 55 | A | 82.7 | Confident | 81.8 | Confident | 23 Ų | 23 | 80 Ų | 80 | 19% | 0.19 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.3 | -30.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F5 L51 L52 S53 M61 | F5-A55 HydrophobicContact CE1-CB 4.5Å; F5-A55 HydrophobicContact CZ-CB 4.14Å; L51-A55 PolarHBondContact O-N 2.97Å; L52-A55 WeakPolarHBondContact O-CA 3.39Å; L52-A55 WeakPolarHBondContact O-CB 2.83Å; L52-A55 PolarHBondContact O-N 3.15Å; L52-A55 VanDerWaalsContact O-N 3.08Å; S53-A55 PolarHBondContact O-N 3.29Å; A55-M61 HydrophobicContact CB-CE 3.03Å |
| 56 | L | 87 | Confident | 82.3 | Confident | 143 Ų | 143 | 78.7 Ų | 78.7 | 75% | 0.749 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -85.7 | -17.1 | -175.9 | -65.5 | 172.8 | 0 | 0 | 0 | 112.4 | L52 S53 C54 | L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 2.88Å; S53-L56 PolarHBondContact O-N 3.3Å; C54-L56 VanDerWaalsContact C-N 3.25Å; C54-L56 PolarHBondContact O-N 3.11Å |
| 57 | E | 87.2 | Confident | 82.5 | Confident | 118 Ų | 118 | 79.1 Ų | 79.1 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -89.2 | 124.5 | 175.7 | -175.3 | 59.4 | -128.4 | 0 | 0 | 110 | S53 C54 N59 C60 | S53-E57 PolarHBondContact O-N 3.46Å; C54-E57 PolarHBondContact O-N 3.28Å; E57-N59 VanDerWaalsContact C-N 3.29Å; E57-N59 PolarHBondContact O-N 2.97Å; E57-C60 HydrophobicContact CB-CB 3.79Å; E57-C60 HydrophobicContact CG-CB 4.04Å; E57-C60 PolarHBondContact O-N 3.47Å |
| 58 | E | 83.9 | Confident | 82.6 | Confident | 132 Ų | 132 | 86.2 Ų | 86.2 | 62% | 0.617 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -53.2 | -46 | -171.5 | -177.5 | 174.3 | -171.9 | 0 | 0 | 112.2 | ||
| 59 | N | 85.3 | Confident | 82.6 | Confident | 84 Ų | 84 | 90.5 Ų | 90.5 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -93.9 | 1.4 | -172.8 | -63.4 | -59 | 0 | 0 | 0 | 114.3 | E57 | E57-N59 VanDerWaalsContact C-N 3.29Å; E57-N59 PolarHBondContact O-N 2.97Å |
| 60 | C | 83 | Confident | 82.3 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 34% | 0.338 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -84.2 | -49.7 | -174.1 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | C54 E57 | C54-C60 VanDerWaalsContact CA-SG 3.51Å; C54-C60 HydrophobicContact CB-CB 4.11Å; C54-C60 WeakPolarHBondContact CB-SG 3.3Å; C54-C60 VanDerWaalsContact O-CB 3.3Å; C54-C60 WeakPolarHBondContact O-CB 3.45Å; C54-C60 VanDerWaalsContact SG-C 3.59Å; C54-C60 WeakPolarHBondContact SG-CB 3.08Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.96Å; E57-C60 HydrophobicContact CB-CB 3.79Å; E57-C60 HydrophobicContact CG-CB 4.04Å; E57-C60 PolarHBondContact O-N 3.47Å |
| 61 | M | 79.5 | Confident | 82.2 | Confident | 47 Ų | 47 | 88.4 Ų | 88.4 | 23% | 0.232 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -92.3 | -13.1 | 173.4 | -75.6 | -144.7 | -90.7 | 0 | 0 | 114.1 | F5 A55 Y86 D87 I90 | F5-M61 HydrophobicContact CE1-CE 4.14Å; F5-M61 HydrophobicContact CZ-CE 4.17Å; A55-M61 HydrophobicContact CB-CE 3.03Å; M61-Y86 WeakPolarHBondContact O-CD2 3.3Å; M61-D87 HydrophobicContact SD-CB 3.65Å; M61-I90 HydrophobicContact CG-CD1 4.5Å |
| 62 | S | 81.6 | Confident | 82.2 | Confident | 74 Ų | 74 | 91.1 Ų | 91.1 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -133.5 | 74.7 | -179.8 | -178.2 | 0 | 0 | 0 | 0 | 109 | ||
| 63 | T | 81.7 | Confident | 82.1 | Confident | 31 Ų | 31 | 90.8 Ų | 90.8 | 19% | 0.19 | 49% | 0.494 | C | S | . | . | trans | -58.6 | 157.5 | 174.8 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | E65 A66 Y86 | T63-E65 WeakPolarHBondContact CB-OE2 3.48Å; T63-E65 PolarHBondContact O-N 2.81Å; T63-E65 VanDerWaalsContact O-N 3.07Å; T63-E65 PolarHBondContact OG1-OE2 2.78Å; T63-A66 WeakPolarHBondContact O-CB 3.45Å; T63-A66 PolarHBondContact O-N 3.45Å; T63-A66 PolarHBondContact OG1-N 3.41Å; T63-Y86 HydrophobicContact CG2-CE1 4.26Å; T63-Y86 PolarHBondContact OG1-OH 3.32Å | ||
| 64 | P | 84 | Confident | 81.9 | Confident | 106 Ų | 106 | 95.4 Ų | 95.4 | 69% | 0.688 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.3 | 178.6 | -27.2 | 36 | 0 | 0 | 0 | 114.3 | ||
| 65 | E | 84 | Confident | 81.7 | Confident | 149 Ų | 149 | 97.7 Ų | 97.7 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6 | 177.8 | -50.2 | 76.9 | -167.5 | 0 | 0 | 113.3 | T63 | T63-E65 WeakPolarHBondContact CB-OE2 3.48Å; T63-E65 PolarHBondContact O-N 2.81Å; T63-E65 VanDerWaalsContact O-N 3.07Å; T63-E65 PolarHBondContact OG1-OE2 2.78Å |
| 66 | A | 81.8 | Confident | 81 | Confident | 33 Ų | 33 | 99.5 Ų | 99.5 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | trans | -67.8 | 134.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T63 Y86 | T63-A66 WeakPolarHBondContact O-CB 3.45Å; T63-A66 PolarHBondContact O-N 3.45Å; T63-A66 PolarHBondContact OG1-N 3.41Å; A66-Y86 HydrophobicContact CB-CD2 4.4Å; A66-Y86 HydrophobicContact CB-CE2 3.67Å | ||
| 67 | T | 81.7 | Confident | 80.2 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 60% | 0.595 | 54% | 0.538 | S | S | * | . | trans | -105 | 146.8 | 174.9 | 61.9 | 0 | 0 | 0 | 0 | 111 | M69 | T67-M69 VanDerWaalsContact C-N 3.28Å; T67-M69 PolarHBondContact O-N 3.13Å; T67-M69 PolarHBondContact OG1-O 3.25Å; T67-M69 VanDerWaalsContact OG1-O 3.14Å | ||
| 68 | L | 78.3 | Confident | 79.5 | Confident | 176 Ų | 176 | 102.3 Ų | 102.3 | 92% | 0.921 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -72.7 | -22.9 | 175.6 | -72.7 | 171.8 | 0 | 0 | 0 | 113.2 | ||
| 69 | M | 76.3 | Confident | 79.1 | Confident | 160 Ų | 160 | 99.8 Ų | 99.8 | 79% | 0.788 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -129.8 | 132.5 | -175.2 | -68.8 | -67.3 | -168.8 | 0 | 0 | 109.8 | T67 | T67-M69 VanDerWaalsContact C-N 3.28Å; T67-M69 PolarHBondContact O-N 3.13Å; T67-M69 PolarHBondContact OG1-O 3.25Å; T67-M69 VanDerWaalsContact OG1-O 3.14Å |
| 70 | C | 77.2 | Confident | 78.6 | Confident | 41 Ų | 41 | 102.6 Ų | 102.6 | 28% | 0.277 | 54% | 0.54 | S | S | . | . | trans | -87.1 | 144.2 | 170 | -56.8 | 0 | 0 | 0 | 0 | 110 | F72 C83 | C70-F72 HydrophobicContact CB-CD2 4.29Å; C70-F72 HydrophobicContact CB-CE1 4.35Å; C70-F72 HydrophobicContact CB-CE2 3.58Å; C70-F72 HydrophobicContact CB-CZ 3.6Å; C70-C83 WeakPolarHBondContact CA-SG 3.42Å; C70-C83 HydrophobicContact CB-CB 3.45Å; C70-C83 VanDerWaalsContact CB-CB 3.45Å; C70-C83 WeakPolarHBondContact CB-SG 3.38Å; C70-C83 WeakPolarHBondContact SG-CB 3.24Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.46Å | ||
| 71 | K | 79.8 | Confident | 78.2 | Confident | 189 Ų | 189 | 101.1 Ų | 101.1 | 82% | 0.822 | 53% | 0.532 | S | S | * | . | trans | -95.7 | 113.9 | 171 | -68.6 | -179.5 | -178.4 | 175.4 | 0 | 108.3 | A81 | K71-A81 WeakPolarHBondContact O-CB 3.47Š| ||
| 72 | F | 79.9 | Confident | 78.1 | Confident | 89 Ų | 89 | 105.4 Ų | 105.4 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | trans | -96.6 | 146.7 | 175.5 | -60.4 | -83.3 | 0 | 0 | 0 | 109.7 | C70 P76 A81 | C70-F72 HydrophobicContact CB-CD2 4.29Å; C70-F72 HydrophobicContact CB-CE1 4.35Å; C70-F72 HydrophobicContact CB-CE2 3.58Å; C70-F72 HydrophobicContact CB-CZ 3.6Å; F72-P76 HydrophobicContact CB-CB 4.15Å; F72-P76 HydrophobicContact CD1-CB 3.99Å; F72-P76 HydrophobicContact CG-CB 4.33Å; F72-A81 HydrophobicContact CD1-CB 3.63Å; F72-A81 HydrophobicContact CE1-CB 3.71Å; F72-A81 HydrophobicContact CG-CB 4.41Å | ||
| 73 | T | 80.6 | Confident | 77.8 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | trans | -81.1 | -176.5 | 167.8 | 63 | 0 | 0 | 0 | 0 | 109.9 | D75 D79 | T73-D75 PolarHBondContact O-N 3.28Å; T73-D75 PolarHBondContact OG1-N 3.29Å; T73-D79 WeakPolarHBondContact CB-OD2 3.32Å; T73-D79 HydrophobicContact CG2-CB 4.16Å; T73-D79 WeakPolarHBondContact OG1-CB 3.37Å; T73-D79 VanDerWaalsContact OG1-CG 3.28Å; T73-D79 PolarHBondContact OG1-OD2 3.01Å | ||
| 74 | D | 82 | Confident | 77.4 | Confident | 175 Ų | 175 | 106.7 Ų | 106.7 | 94% | 0.936 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -63.3 | -20.4 | 174.8 | -63.2 | -38.1 | 0 | 0 | 0 | 113.1 | P76 | D74-P76 VanDerWaalsContact C-CD 3.48Å; D74-P76 VanDerWaalsContact O-CD 3.27Å; D74-P76 WeakPolarHBondContact O-CD 3.38Å |
| 75 | D | 78.5 | Confident | 76.8 | Confident | 61 Ų | 61 | 104.6 Ų | 104.6 | 33% | 0.326 | 53% | 0.532 | S | S | . | . | trans | -115.8 | 74 | 175.9 | -167.6 | -10.9 | 0 | 0 | 0 | 112.1 | T73 F77 N78 D79 | T73-D75 PolarHBondContact O-N 3.28Å; T73-D75 PolarHBondContact OG1-N 3.29Å; D75-F77 PolarHBondContact O-N 3.24Å; D75-F77 PolarHBondContact OD1-N 2.77Å; D75-N78 VanDerWaalsContact CG-ND2 3.27Å; D75-N78 PolarHBondContact O-N 3.32Å; D75-N78 PolarHBondContact OD1-N 2.75Å; D75-N78 PolarHBondContact OD1-ND2 3.05Å; D75-N78 WeakPolarHBondContact OD2-CB 3.16Å; D75-N78 PolarHBondContact OD2-ND2 3.49Å; D75-D79 WeakPolarHBondContact O-CB 3.4Å; D75-D79 PolarHBondContact O-N 3.26Å | ||
| 76 | P | 67.4 | Low | 76.5 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 40% | 0.403 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.6 | -174 | 27.9 | -36.7 | 0 | 0 | 0 | 114.7 | F72 D74 | F72-P76 HydrophobicContact CB-CB 4.15Å; F72-P76 HydrophobicContact CD1-CB 3.99Å; F72-P76 HydrophobicContact CG-CB 4.33Å; D74-P76 VanDerWaalsContact C-CD 3.48Å; D74-P76 VanDerWaalsContact O-CD 3.27Å; D74-P76 WeakPolarHBondContact O-CD 3.38Å |
| 77 | F | 71.5 | Confident | 76.1 | Confident | 193 Ų | 193 | 102 Ų | 102 | 85% | 0.846 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -29.2 | -178.9 | -62 | -74.8 | 0 | 0 | 0 | 112.6 | D75 | D75-F77 PolarHBondContact O-N 3.24Å; D75-F77 PolarHBondContact OD1-N 2.77Å |
| 78 | N | 72.6 | Confident | 75.6 | Confident | 127 Ų | 127 | 99 Ų | 99 | 68% | 0.679 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -26.5 | 178.9 | -60.4 | -59.3 | 0 | 0 | 0 | 112.9 | D75 | D75-N78 VanDerWaalsContact CG-ND2 3.27Å; D75-N78 PolarHBondContact O-N 3.32Å; D75-N78 PolarHBondContact OD1-N 2.75Å; D75-N78 PolarHBondContact OD1-ND2 3.05Å; D75-N78 WeakPolarHBondContact OD2-CB 3.16Å; D75-N78 PolarHBondContact OD2-ND2 3.49Å |
| 79 | D | 74.4 | Confident | 75.4 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -93.5 | 128 | -179.9 | -68.2 | -21.4 | 0 | 0 | 0 | 111.8 | T73 D75 A81 | T73-D79 WeakPolarHBondContact CB-OD2 3.32Å; T73-D79 HydrophobicContact CG2-CB 4.16Å; T73-D79 WeakPolarHBondContact OG1-CB 3.37Å; T73-D79 VanDerWaalsContact OG1-CG 3.28Å; T73-D79 PolarHBondContact OG1-OD2 3.01Å; D75-D79 WeakPolarHBondContact O-CB 3.4Å; D75-D79 PolarHBondContact O-N 3.26Å; D79-A81 PolarHBondContact O-N 3.09Å |
| 80 | Y | 74.9 | Confident | 75.4 | Confident | 142 Ų | 142 | 86.7 Ų | 86.7 | 56% | 0.557 | 43% | 0.433 | S | S | * | . | trans | -72 | 118.6 | 176.2 | 177.7 | -117.9 | 0 | 0 | 0 | 110.9 | D82 H84 | Y80-D82 VanDerWaalsContact CE1-CA 3.47Å; Y80-D82 HydrophobicContact CE1-CB 4.25Å; Y80-D82 PolarHBondContact O-N 3.22Å; Y80-D82 VanDerWaalsContact O-N 3.12Å; Y80-H84 AromaticContact CE2-CE1 3.42Å; Y80-H84 VanDerWaalsContact CE2-CE1 3.42Å; Y80-H84 WeakPolarHBondContact CE2-CE1 3.45Å; Y80-H84 AromaticContact CE2-NE2 3.9Å; Y80-H84 AromaticContact CZ-CE1 3.74Å; Y80-H84 AromaticContact CZ-NE2 3.72Å; Y80-H84 PolarHBondContact OH-CD2 3.49Å; Y80-H84 PolarHBondContact OH-CE1 3.44Å; Y80-H84 VanDerWaalsContact OH-CE1 3.28Å; Y80-H84 PolarHBondContact OH-NE2 2.83Å | ||
| 81 | A | 74.3 | Confident | 75.3 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 16% | 0.157 | 42% | 0.424 | C | S | . | . | trans | -76.2 | 8.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K71 F72 D79 C83 | K71-A81 WeakPolarHBondContact O-CB 3.47Å; F72-A81 HydrophobicContact CD1-CB 3.63Å; F72-A81 HydrophobicContact CE1-CB 3.71Å; F72-A81 HydrophobicContact CG-CB 4.41Å; D79-A81 PolarHBondContact O-N 3.09Å; A81-C83 HydrophobicContact CB-CB 4.49Å; A81-C83 WeakPolarHBondContact O-CB 3.45Å; A81-C83 PolarHBondContact O-N 3.39Å | ||
| 82 | D | 77.6 | Confident | 75 | Confident | 138 Ų | 138 | 80.6 Ų | 80.6 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 47.4 | 35.5 | -173.7 | -161.4 | 33.4 | 0 | 0 | 0 | 113.7 | Y80 | Y80-D82 VanDerWaalsContact CE1-CA 3.47Å; Y80-D82 HydrophobicContact CE1-CB 4.25Å; Y80-D82 PolarHBondContact O-N 3.22Å; Y80-D82 VanDerWaalsContact O-N 3.12Å |
| 83 | C | 75.9 | Confident | 75 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | trans | -152.7 | 136.4 | -170.7 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | C70 A81 | C70-C83 WeakPolarHBondContact CA-SG 3.42Å; C70-C83 HydrophobicContact CB-CB 3.45Å; C70-C83 VanDerWaalsContact CB-CB 3.45Å; C70-C83 WeakPolarHBondContact CB-SG 3.38Å; C70-C83 WeakPolarHBondContact SG-CB 3.24Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.46Å; A81-C83 HydrophobicContact CB-CB 4.49Å; A81-C83 WeakPolarHBondContact O-CB 3.45Å; A81-C83 PolarHBondContact O-N 3.39Å | ||
| 84 | H | 72.1 | Confident | 75 | Confident | 105 Ų | 105 | 79.3 Ų | 79.3 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | trans | -129 | 143.6 | -179.1 | -69 | -56.4 | 0 | 0 | 0 | 110.7 | Y80 Y86 | Y80-H84 AromaticContact CE2-CE1 3.42Å; Y80-H84 VanDerWaalsContact CE2-CE1 3.42Å; Y80-H84 WeakPolarHBondContact CE2-CE1 3.45Å; Y80-H84 AromaticContact CE2-NE2 3.9Å; Y80-H84 AromaticContact CZ-CE1 3.74Å; Y80-H84 AromaticContact CZ-NE2 3.72Å; Y80-H84 PolarHBondContact OH-CD2 3.49Å; Y80-H84 PolarHBondContact OH-CE1 3.44Å; Y80-H84 VanDerWaalsContact OH-CE1 3.28Å; Y80-H84 PolarHBondContact OH-NE2 2.83Å; H84-Y86 PolarHBondContact O-N 2.96Å | ||
| 85 | R | 73.3 | Confident | 74.6 | Confident | 62 Ų | 62 | 72 Ų | 72 | 23% | 0.234 | 36% | 0.362 | C | S | . | . | trans | -83.2 | 114 | 160.4 | -48.6 | -147.8 | -39.1 | -164.1 | 2.6 | 109.8 | H29 S30 D87 Q88 S89 | H29-R85 PolarHBondContact O-NH1 3.49Å; S30-R85 WeakPolarHBondContact OG-CD 3.1Å; S30-R85 PolarHBondContact OG-NH1 2.03Å; R85-D87 VanDerWaalsContact C-N 3.27Å; R85-D87 WeakPolarHBondContact CB-OD1 3.06Å; R85-D87 IonicContact CZ-OD1 3.26Å; R85-D87 IonicContact CZ-OD2 3.66Å; R85-D87 IonicContact NE-OD1 3.81Å; R85-D87 PolarHBondContact NE-OD1 3.48Å; R85-D87 IonicContact NE-OD2 3.83Å; R85-D87 IonicContact NH2-OD1 2.94Å; R85-D87 PolarHBondContact NH2-OD1 3.36Å; R85-D87 IonicContact NH2-OD2 3.83Å; R85-D87 PolarHBondContact NH2-OD2 3.48Å; R85-D87 PolarHBondContact O-N 3.45Å; R85-Q88 HydrophobicContact CB-CB 4.37Å; R85-Q88 HydrophobicContact CB-CG 4.49Å; R85-Q88 VanDerWaalsContact NH2-CG 3.27Å; R85-Q88 PolarHBondContact O-N 3.29Å; R85-S89 WeakPolarHBondContact O-CB 3.49Å; R85-S89 PolarHBondContact O-N 2.8Å; R85-S89 PolarHBondContact O-OG 3.16Å; R85-S89 VanDerWaalsContact O-OG 3.11Å | ||
| 86 | Y | 76.2 | Confident | 74.4 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | -179.3 | -66.5 | -79.7 | 0 | 0 | 0 | 112.7 | M61 T63 A66 H84 Q88 S89 I90 | M61-Y86 WeakPolarHBondContact O-CD2 3.3Å; T63-Y86 HydrophobicContact CG2-CE1 4.26Å; T63-Y86 PolarHBondContact OG1-OH 3.32Å; A66-Y86 HydrophobicContact CB-CD2 4.4Å; A66-Y86 HydrophobicContact CB-CE2 3.67Å; H84-Y86 PolarHBondContact O-N 2.96Å; Y86-Q88 PolarHBondContact O-N 2.9Å; Y86-S89 PolarHBondContact O-N 3.36Å; Y86-I90 WeakPolarHBondContact O-CB 3.5Å; Y86-I90 WeakPolarHBondContact O-CD1 3.47Å; Y86-I90 WeakPolarHBondContact O-CG1 3.49Å; Y86-I90 PolarHBondContact O-N 3.15Å |
| 87 | D | 74 | Confident | 75 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 178 | 71.5 | -35.6 | 0 | 0 | 0 | 112.8 | M61 R85 T91 | M61-D87 HydrophobicContact SD-CB 3.65Å; R85-D87 VanDerWaalsContact C-N 3.27Å; R85-D87 WeakPolarHBondContact CB-OD1 3.06Å; R85-D87 IonicContact CZ-OD1 3.26Å; R85-D87 IonicContact CZ-OD2 3.66Å; R85-D87 IonicContact NE-OD1 3.81Å; R85-D87 PolarHBondContact NE-OD1 3.48Å; R85-D87 IonicContact NE-OD2 3.83Å; R85-D87 IonicContact NH2-OD1 2.94Å; R85-D87 PolarHBondContact NH2-OD1 3.36Å; R85-D87 IonicContact NH2-OD2 3.83Å; R85-D87 PolarHBondContact NH2-OD2 3.48Å; R85-D87 PolarHBondContact O-N 3.45Å; D87-T91 WeakPolarHBondContact O-CB 3.46Å; D87-T91 PolarHBondContact O-N 3.06Å; D87-T91 PolarHBondContact O-OG1 3.01Å |
| 88 | Q | 70.2 | Confident | 75.4 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 16% | 0.164 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.2 | -43.8 | 177.2 | -70.4 | -174.4 | -38.7 | 0 | 0 | 111.7 | G33 R85 Y86 T91 N92 | G33-Q88 PolarHBondContact O-NE2 3.29Å; G33-Q88 VanDerWaalsContact O-NE2 3.17Å; R85-Q88 HydrophobicContact CB-CB 4.37Å; R85-Q88 HydrophobicContact CB-CG 4.49Å; R85-Q88 VanDerWaalsContact NH2-CG 3.27Å; R85-Q88 PolarHBondContact O-N 3.29Å; Y86-Q88 PolarHBondContact O-N 2.9Å; Q88-T91 PolarHBondContact O-N 3.17Å; Q88-N92 VanDerWaalsContact O-CG 3.28Å; Q88-N92 PolarHBondContact O-N 3.32Å; Q88-N92 PolarHBondContact O-ND2 3.39Å |
| 89 | S | 75.5 | Confident | 75.6 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | -179.8 | -66 | 0 | 0 | 0 | 0 | 112 | R85 Y86 T91 N92 L93 | R85-S89 WeakPolarHBondContact O-CB 3.49Å; R85-S89 PolarHBondContact O-N 2.8Å; R85-S89 PolarHBondContact O-OG 3.16Å; R85-S89 VanDerWaalsContact O-OG 3.11Å; Y86-S89 PolarHBondContact O-N 3.36Å; S89-T91 VanDerWaalsContact C-N 3.33Å; S89-T91 PolarHBondContact O-N 3.03Å; S89-N92 PolarHBondContact O-N 3.33Å; S89-L93 WeakPolarHBondContact O-CG 3.03Å; S89-L93 PolarHBondContact O-N 2.59Å |
| 90 | I | 76.6 | Confident | 75.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 178.2 | -63.8 | 167.9 | 0 | 0 | 0 | 110.1 | L51 C54 M61 Y86 N92 L93 L94 | L51-I90 HydrophobicContact CD2-CB 3.95Å; L51-I90 HydrophobicContact CD2-CG2 3.52Å; C54-I90 WeakPolarHBondContact SG-CD1 3.23Å; M61-I90 HydrophobicContact CG-CD1 4.5Å; Y86-I90 WeakPolarHBondContact O-CB 3.5Å; Y86-I90 WeakPolarHBondContact O-CD1 3.47Å; Y86-I90 WeakPolarHBondContact O-CG1 3.49Å; Y86-I90 PolarHBondContact O-N 3.15Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 PolarHBondContact O-N 3.12Å; I90-L93 PolarHBondContact O-N 3.36Å; I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.03Å; I90-L94 WeakPolarHBondContact O-CB 3.42Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 2.91Å |
| 91 | T | 74.6 | Confident | 75.9 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | F37 L51 D87 Q88 S89 L95 | F37-T91 HydrophobicContact CD1-CG2 4.06Å; F37-T91 HydrophobicContact CD2-CG2 4.34Å; F37-T91 HydrophobicContact CE1-CG2 3.6Å; F37-T91 HydrophobicContact CE2-CG2 3.92Å; F37-T91 HydrophobicContact CG-CG2 4.41Å; F37-T91 HydrophobicContact CZ-CG2 3.52Å; L51-T91 HydrophobicContact CD1-CG2 4.13Å; L51-T91 WeakPolarHBondContact CD1-OG1 3.1Å; L51-T91 WeakPolarHBondContact CD2-OG1 3.15Å; D87-T91 WeakPolarHBondContact O-CB 3.46Å; D87-T91 PolarHBondContact O-N 3.06Å; D87-T91 PolarHBondContact O-OG1 3.01Å; Q88-T91 PolarHBondContact O-N 3.17Å; S89-T91 VanDerWaalsContact C-N 3.33Å; S89-T91 PolarHBondContact O-N 3.03Å; T91-L95 WeakPolarHBondContact O-CB 3.35Å; T91-L95 PolarHBondContact O-N 3.02Å |
| 92 | N | 73 | Confident | 75.8 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.8 | -71.1 | -17.8 | 0 | 0 | 0 | 111.9 | Q88 S89 I90 L95 A96 | Q88-N92 VanDerWaalsContact O-CG 3.28Å; Q88-N92 PolarHBondContact O-N 3.32Å; Q88-N92 PolarHBondContact O-ND2 3.39Å; S89-N92 PolarHBondContact O-N 3.33Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 PolarHBondContact O-N 3.12Å; N92-L95 PolarHBondContact O-N 3.5Å; N92-A96 VanDerWaalsContact O-CB 3.26Å; N92-A96 WeakPolarHBondContact O-CB 3.32Å; N92-A96 PolarHBondContact O-N 2.96Å |
| 93 | L | 79.8 | Confident | 75.3 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 53% | 0.529 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 178.7 | -72 | 171.9 | 0 | 0 | 0 | 112.5 | S89 I90 L95 A96 N97 | S89-L93 WeakPolarHBondContact O-CG 3.03Å; S89-L93 PolarHBondContact O-N 2.59Å; I90-L93 PolarHBondContact O-N 3.36Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 PolarHBondContact O-N 3.34Å; L93-A96 PolarHBondContact O-N 3.17Å; L93-N97 WeakPolarHBondContact O-CB 3.42Å; L93-N97 PolarHBondContact O-N 3.26Å; L93-N97 PolarHBondContact O-ND2 3.18Å; L93-N97 VanDerWaalsContact O-ND2 3.12Å |
| 94 | L | 80.4 | Confident | 74.9 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.3 | -70.7 | 178.8 | 0 | 0 | 0 | 111.4 | Q47 R50 L51 I90 L98 | Q47-L94 HydrophobicContact CB-CB 4.44Å; Q47-L94 HydrophobicContact CG-CB 4.49Å; R50-L94 HydrophobicContact CB-CD1 4.12Å; L51-L94 HydrophobicContact CD2-CD1 3.89Å; L51-L94 HydrophobicContact CG-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.03Å; I90-L94 WeakPolarHBondContact O-CB 3.42Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 2.91Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.18Å; L94-L98 PolarHBondContact O-N 3.44Å |
| 95 | L | 73.6 | Confident | 74.6 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.1 | -43.9 | 179 | -171.4 | 61.6 | 0 | 0 | 0 | 112.3 | F37 T91 N92 L93 N97 L98 L99 W106 | F37-L95 HydrophobicContact CD1-CD2 3.73Å; F37-L95 HydrophobicContact CE1-CD2 3.63Å; T91-L95 WeakPolarHBondContact O-CB 3.35Å; T91-L95 PolarHBondContact O-N 3.02Å; N92-L95 PolarHBondContact O-N 3.5Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 PolarHBondContact O-N 3.34Å; L95-N97 VanDerWaalsContact C-N 3.35Å; L95-N97 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 2.88Å; L95-L99 HydrophobicContact CD1-CD1 3.41Å; L95-L99 VanDerWaalsContact CD1-CD1 3.41Å; L95-L99 HydrophobicContact CD1-CG 3.97Å; L95-L99 HydrophobicContact CG-CD1 3.72Å; L95-L99 HydrophobicContact CG-CG 4.42Å; L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.09Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.26Å; L95-W106 HydrophobicContact CD2-CB 3.55Å; L95-W106 HydrophobicContact CD2-CG 3.96Å; L95-W106 HydrophobicContact CG-CB 4.15Å; L95-W106 HydrophobicContact CG-CG 4.45Å |
| 96 | A | 74.8 | Confident | 74.1 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N92 L93 L99 G100 Y101 W106 | N92-A96 VanDerWaalsContact O-CB 3.26Å; N92-A96 WeakPolarHBondContact O-CB 3.32Å; N92-A96 PolarHBondContact O-N 2.96Å; L93-A96 PolarHBondContact O-N 3.17Å; A96-L99 PolarHBondContact O-N 3.21Å; A96-G100 PolarHBondContact O-N 3.07Å; A96-Y101 HydrophobicContact CB-CD1 3.85Å; A96-Y101 HydrophobicContact CB-CE1 3.82Å; A96-Y101 HydrophobicContact CB-CG 4.39Å; A96-Y101 PolarHBondContact O-N 3.41Å; A96-W106 HydrophobicContact CB-CH2 4.13Å |
| 97 | N | 80.5 | Confident | 73.4 | Confident | 96 Ų | 96 | 66 Ų | 66 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 174.3 | -79.7 | -40 | 0 | 0 | 0 | 111.9 | L93 L95 L99 G100 Y101 | L93-N97 WeakPolarHBondContact O-CB 3.42Å; L93-N97 PolarHBondContact O-N 3.26Å; L93-N97 PolarHBondContact O-ND2 3.18Å; L93-N97 VanDerWaalsContact O-ND2 3.12Å; L95-N97 VanDerWaalsContact C-N 3.35Å; L95-N97 PolarHBondContact O-N 3.36Å; N97-L99 VanDerWaalsContact C-N 3.25Å; N97-L99 PolarHBondContact O-N 3.08Å; N97-G100 PolarHBondContact O-N 2.7Å; N97-Y101 WeakPolarHBondContact OD1-CE2 3.44Å; N97-Y101 PolarHBondContact OD1-OH 2.93Å |
| 98 | L | 78.2 | Confident | 72.6 | Confident | 52 Ų | 52 | 68 Ų | 68 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 179.7 | 177.7 | 64.2 | 0 | 0 | 0 | 112.5 | N43 Q47 L94 L95 | N43-L98 HydrophobicContact CB-CD1 3.82Å; N43-L98 HydrophobicContact CB-CD2 4.27Å; Q47-L98 HydrophobicContact CG-CD2 3.78Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.18Å; L94-L98 PolarHBondContact O-N 3.44Å; L95-L98 PolarHBondContact O-N 2.88Å |
| 99 | L | 78.4 | Confident | 72 | Confident | 27 Ų | 27 | 72.2 Ų | 72.2 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -98.5 | 4.7 | -173.3 | -61.9 | 179.8 | 0 | 0 | 0 | 113.6 | L95 A96 N97 R105 W106 | L95-L99 HydrophobicContact CD1-CD1 3.41Å; L95-L99 VanDerWaalsContact CD1-CD1 3.41Å; L95-L99 HydrophobicContact CD1-CG 3.97Å; L95-L99 HydrophobicContact CG-CD1 3.72Å; L95-L99 HydrophobicContact CG-CG 4.42Å; L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.09Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.26Å; A96-L99 PolarHBondContact O-N 3.21Å; N97-L99 VanDerWaalsContact C-N 3.25Å; N97-L99 PolarHBondContact O-N 3.08Å; L99-R105 HydrophobicContact CB-CB 4.08Å; L99-R105 HydrophobicContact CD1-CB 3.78Å; L99-R105 HydrophobicContact CD2-CB 4.23Å; L99-R105 HydrophobicContact CG-CB 4.25Å; L99-R105 WeakPolarHBondContact O-CD 3.41Å; L99-R105 PolarHBondContact O-NH1 3.1Å; L99-W106 HydrophobicContact CB-CE3 3.8Å; L99-W106 HydrophobicContact CB-CZ3 3.88Å; L99-W106 HydrophobicContact CD1-CB 3.89Å; L99-W106 HydrophobicContact CD1-CD2 4.36Å; L99-W106 HydrophobicContact CD1-CE3 3.62Å; L99-W106 HydrophobicContact CG-CE3 4.33Å |
| 100 | G | 79.4 | Confident | 71 | Confident | 54 Ų | 54 | 73.9 Ų | 73.9 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 36.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A96 N97 N102 | A96-G100 PolarHBondContact O-N 3.07Å; N97-G100 PolarHBondContact O-N 2.7Å; G100-N102 PolarHBondContact O-N 3.42Å |
| 101 | Y | 75.7 | Confident | 69.8 | Low | 150 Ų | 150 | 77.7 Ų | 77.7 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 16.8 | 179.8 | -67.1 | -95 | 0 | 0 | 0 | 115.1 | A96 N97 S103 W106 | A96-Y101 HydrophobicContact CB-CD1 3.85Å; A96-Y101 HydrophobicContact CB-CE1 3.82Å; A96-Y101 HydrophobicContact CB-CG 4.39Å; A96-Y101 PolarHBondContact O-N 3.41Å; N97-Y101 WeakPolarHBondContact OD1-CE2 3.44Å; N97-Y101 PolarHBondContact OD1-OH 2.93Å; Y101-S103 PolarHBondContact O-N 3.37Å; Y101-W106 VanDerWaalsContact C-CH2 3.49Å |
| 102 | N | 72.8 | Confident | 68.6 | Low | 67 Ų | 67 | 83.4 Ų | 83.4 | 36% | 0.358 | 44% | 0.442 | S | S | . | . | trans | -87.1 | 98.6 | 175.8 | -175.6 | -17.3 | 0 | 0 | 0 | 110.7 | G100 K104 R105 W106 | G100-N102 PolarHBondContact O-N 3.42Å; N102-K104 PolarHBondContact O-N 3.45Å; N102-K104 VanDerWaalsContact O-N 3.12Å; N102-K104 WeakPolarHBondContact OD1-CB 3.43Å; N102-K104 PolarHBondContact OD1-N 2.81Å; N102-R105 HydrophobicContact CB-CG 4.21Å; N102-R105 WeakPolarHBondContact O-CB 3.06Å; N102-R105 PolarHBondContact O-N 2.03Å; N102-W106 WeakPolarHBondContact O-CZ3 3Å | ||
| 103 | S | 66.4 | Low | 67.4 | Low | 64 Ų | 64 | 87.5 Ų | 87.5 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -54 | -33.5 | -176.3 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | Y101 R105 W106 S107 | Y101-S103 PolarHBondContact O-N 3.37Å; S103-R105 PolarHBondContact O-N 3.38Å; S103-W106 VanDerWaalsContact CA-CZ2 3.5Å; S103-W106 PolarHBondContact O-N 3.12Å; S103-S107 PolarHBondContact O-N 3.35Å; S103-S107 PolarHBondContact O-OG 3.05Å; S103-S107 VanDerWaalsContact O-OG 3.06Å |
| 104 | K | 67 | Low | 66.2 | Low | 145 Ų | 145 | 88.8 Ų | 88.8 | 63% | 0.63 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -59 | -16.8 | 178 | -53.5 | -164.9 | 168.6 | -166.1 | 0 | 114.1 | N102 E109 | N102-K104 PolarHBondContact O-N 3.45Å; N102-K104 VanDerWaalsContact O-N 3.12Å; N102-K104 WeakPolarHBondContact OD1-CB 3.43Å; N102-K104 PolarHBondContact OD1-N 2.81Å; K104-E109 WeakPolarHBondContact CD-OE1 3.41Å; K104-E109 WeakPolarHBondContact CE-OE1 3.37Å; K104-E109 VanDerWaalsContact CG-OE1 3.27Å; K104-E109 WeakPolarHBondContact CG-OE1 3.14Å |
| 105 | R | 65.5 | Low | 64.6 | Low | 157 Ų | 157 | 93.3 Ų | 93.3 | 59% | 0.592 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -84.7 | -14.4 | 179.6 | -64.7 | -177.9 | 170.6 | -179.8 | -6.5 | 113.4 | L99 N102 S103 | L99-R105 HydrophobicContact CB-CB 4.08Å; L99-R105 HydrophobicContact CD1-CB 3.78Å; L99-R105 HydrophobicContact CD2-CB 4.23Å; L99-R105 HydrophobicContact CG-CB 4.25Å; L99-R105 WeakPolarHBondContact O-CD 3.41Å; L99-R105 PolarHBondContact O-NH1 3.1Å; N102-R105 HydrophobicContact CB-CG 4.21Å; N102-R105 WeakPolarHBondContact O-CB 3.06Å; N102-R105 PolarHBondContact O-N 2.03Å; S103-R105 PolarHBondContact O-N 3.38Å |
| 106 | W | 63.1 | Low | 63.5 | Low | 96 Ų | 96 | 96.1 Ų | 96.1 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -23.3 | 179.9 | 67.1 | 81.9 | 0 | 0 | 0 | 114.5 | L95 A96 L99 Y101 N102 S103 | L95-W106 HydrophobicContact CD2-CB 3.55Å; L95-W106 HydrophobicContact CD2-CG 3.96Å; L95-W106 HydrophobicContact CG-CB 4.15Å; L95-W106 HydrophobicContact CG-CG 4.45Å; A96-W106 HydrophobicContact CB-CH2 4.13Å; L99-W106 HydrophobicContact CB-CE3 3.8Å; L99-W106 HydrophobicContact CB-CZ3 3.88Å; L99-W106 HydrophobicContact CD1-CB 3.89Å; L99-W106 HydrophobicContact CD1-CD2 4.36Å; L99-W106 HydrophobicContact CD1-CE3 3.62Å; L99-W106 HydrophobicContact CG-CE3 4.33Å; Y101-W106 VanDerWaalsContact C-CH2 3.49Å; N102-W106 WeakPolarHBondContact O-CZ3 3Å; S103-W106 VanDerWaalsContact CA-CZ2 3.5Å; S103-W106 PolarHBondContact O-N 3.12Å |
| 107 | S | 61 | Low | 62.1 | Low | 51 Ų | 51 | 101.9 Ų | 101.9 | 36% | 0.357 | 51% | 0.512 | S | S | . | . | trans | -76.8 | 136.7 | 165.7 | 70.5 | 0 | 0 | 0 | 0 | 108.4 | S103 E109 | S103-S107 PolarHBondContact O-N 3.35Å; S103-S107 PolarHBondContact O-OG 3.05Å; S103-S107 VanDerWaalsContact O-OG 3.06Å; S107-E109 PolarHBondContact O-N 3.38Å | ||
| 108 | S | 57.2 | Low | 60.4 | Low | 88 Ų | 88 | 103.5 Ų | 103.5 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | trans | -72 | -7.2 | 175.2 | 56 | 0 | 0 | 0 | 0 | 112.5 | V110 | S108-V110 PolarHBondContact O-N 3.17Å; S108-V110 WeakPolarHBondContact OG-CB 3.27Å; S108-V110 PolarHBondContact OG-N 3.5Å | ||
| 109 | E | 57.8 | Low | 59.1 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | trans | 50.8 | 7.9 | -164.3 | -61.3 | -175.8 | 172 | 0 | 0 | 113.4 | K104 S107 T111 | K104-E109 WeakPolarHBondContact CD-OE1 3.41Å; K104-E109 WeakPolarHBondContact CE-OE1 3.37Å; K104-E109 VanDerWaalsContact CG-OE1 3.27Å; K104-E109 WeakPolarHBondContact CG-OE1 3.14Å; S107-E109 PolarHBondContact O-N 3.38Å; E109-T111 PolarHBondContact O-N 3.26Å; E109-T111 VanDerWaalsContact O-N 3.1Å | ||
| 110 | V | 55.7 | Low | 57.7 | Low | 74 Ų | 74 | 114.9 Ų | 114.9 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | trans | -71 | 111.1 | 178.8 | 174.8 | 0 | 0 | 0 | 0 | 107.1 | S108 N112 F113 | S108-V110 PolarHBondContact O-N 3.17Å; S108-V110 WeakPolarHBondContact OG-CB 3.27Å; S108-V110 PolarHBondContact OG-N 3.5Å; V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 HydrophobicContact CG1-CB 4.03Å; V110-F113 VanDerWaalsContact O-CE2 3.23Å; V110-F113 WeakPolarHBondContact O-CE2 2.91Å; V110-F113 WeakPolarHBondContact O-CZ 3.4Å | ||
| 111 | T | 51 | Low | 56.5 | Low | 118 Ų | 118 | 117.9 Ų | 117.9 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | trans | -80.9 | -15.2 | 173 | 55 | 0 | 0 | 0 | 0 | 112.3 | E109 F113 | E109-T111 PolarHBondContact O-N 3.26Å; E109-T111 VanDerWaalsContact O-N 3.1Å; T111-F113 VanDerWaalsContact C-N 3.26Å; T111-F113 WeakPolarHBondContact O-CD2 3.45Å; T111-F113 PolarHBondContact O-N 3.26Å | ||
| 112 | N | 50.1 | Low | 55.3 | Low | 136 Ų | 136 | 116 Ų | 116 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | trans | -81.1 | 73.6 | 176.3 | -70.2 | -2.6 | 0 | 0 | 0 | 110.1 | V110 | V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 HydrophobicContact CG1-CB 4.03Å | ||
| 113 | F | 47.5 | Very low | 54.5 | Low | 174 Ų | 174 | 120.6 Ų | 120.6 | 76% | 0.763 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 142.3 | 167.2 | -59.7 | -81.9 | 0 | 0 | 0 | 109.4 | V110 T111 | V110-F113 VanDerWaalsContact O-CE2 3.23Å; V110-F113 WeakPolarHBondContact O-CE2 2.91Å; V110-F113 WeakPolarHBondContact O-CZ 3.4Å; T111-F113 VanDerWaalsContact C-N 3.26Å; T111-F113 WeakPolarHBondContact O-CD2 3.45Å; T111-F113 PolarHBondContact O-N 3.26Å |
| 114 | F | 53.2 | Low | 53.8 | Low | 128 Ų | 128 | 121.7 Ų | 121.7 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 133.6 | 166.8 | 53.5 | -84.6 | 0 | 0 | 0 | 108.4 | I116 | F114-I116 HydrophobicContact CD2-CD1 4.26Å; F114-I116 HydrophobicContact CD2-CG1 3.6Å; F114-I116 HydrophobicContact CE2-CD1 3.62Å; F114-I116 HydrophobicContact CE2-CG1 3.47Å; F114-I116 VanDerWaalsContact CE2-CG1 3.47Å; F114-I116 HydrophobicContact CZ-CD1 4.48Å; F114-I116 PolarHBondContact O-N 2.94Å |
| 115 | E | 47.2 | Very low | 52.9 | Low | 128 Ų | 128 | 119.6 Ų | 119.6 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 117.2 | 171.8 | -168.5 | -170.2 | 163.5 | 0 | 0 | 107.9 | R117 | E115-R117 VanDerWaalsContact CD-NE 3.27Å; E115-R117 HydrophobicContact CG-CG 4.07Å; E115-R117 PolarHBondContact O-N 3.24Å; E115-R117 WeakPolarHBondContact OE1-CG 2.86Å; E115-R117 IonicContact OE1-CZ 2.7Å; E115-R117 IonicContact OE1-NE 3.37Å; E115-R117 PolarHBondContact OE1-NE 3.41Å; E115-R117 IonicContact OE1-NH2 3.8Å; E115-R117 IonicContact OE2-CZ 3.42Å; E115-R117 IonicContact OE2-NE 3.49Å; E115-R117 PolarHBondContact OE2-NE 3.45Å; E115-R117 IonicContact OE2-NH2 3.21Å; E115-R117 PolarHBondContact OE2-NH2 3.21Å |
| 116 | I | 51.6 | Low | 52 | Low | 80 Ų | 80 | 120.6 Ų | 120.6 | 41% | 0.41 | 60% | 0.601 | S | S | . | * | trans | -88.9 | 105.3 | 170 | -57.2 | 176.2 | 0 | 0 | 0 | 107.3 | F114 | F114-I116 HydrophobicContact CD2-CD1 4.26Å; F114-I116 HydrophobicContact CD2-CG1 3.6Å; F114-I116 HydrophobicContact CE2-CD1 3.62Å; F114-I116 HydrophobicContact CE2-CG1 3.47Å; F114-I116 VanDerWaalsContact CE2-CG1 3.47Å; F114-I116 HydrophobicContact CZ-CD1 4.48Å; F114-I116 PolarHBondContact O-N 2.94Å | ||
| 117 | R | 45 | Very low | 51.2 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 50% | 0.498 | 62% | 0.62 | S | S | . | * | trans | -88.6 | 122.6 | 171.9 | -69.4 | 177.3 | 173.6 | 177.2 | 7.6 | 109.8 | E115 E120 | E115-R117 VanDerWaalsContact CD-NE 3.27Å; E115-R117 HydrophobicContact CG-CG 4.07Å; E115-R117 PolarHBondContact O-N 3.24Å; E115-R117 WeakPolarHBondContact OE1-CG 2.86Å; E115-R117 IonicContact OE1-CZ 2.7Å; E115-R117 IonicContact OE1-NE 3.37Å; E115-R117 PolarHBondContact OE1-NE 3.41Å; E115-R117 IonicContact OE1-NH2 3.8Å; E115-R117 IonicContact OE2-CZ 3.42Å; E115-R117 IonicContact OE2-NE 3.49Å; E115-R117 PolarHBondContact OE2-NE 3.45Å; E115-R117 IonicContact OE2-NH2 3.21Å; E115-R117 PolarHBondContact OE2-NH2 3.21Å; R117-E120 HydrophobicContact CB-CB 4.2Å; R117-E120 HydrophobicContact CB-CG 3.97Å; R117-E120 WeakPolarHBondContact CB-OE2 3.39Å; R117-E120 WeakPolarHBondContact CD-OE1 3.38Å; R117-E120 WeakPolarHBondContact CD-OE2 3.37Å; R117-E120 IonicContact CZ-OE1 3.69Å; R117-E120 IonicContact NE-OE1 2.93Å; R117-E120 IonicContact NH1-OE1 3Å; R117-E120 PolarHBondContact NH1-OE1 3.49Å | ||
| 118 | R | 43.6 | Very low | 50.5 | Low | 130 Ų | 130 | 128 Ų | 128 | 49% | 0.491 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | 144.8 | 174.5 | -67.3 | -175.9 | -66.9 | -154.5 | -7 | 109.3 | E120 | R118-E120 PolarHBondContact O-N 3.46Š|
| 119 | Y | 51.8 | Low | 49.5 | Very low | 223 Ų | 223 | 131.5 Ų | 131.5 | 88% | 0.875 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.5 | 9.1 | -177.4 | -45.3 | -80 | 0 | 0 | 0 | 115.4 | S121 | Y119-S121 PolarHBondContact O-N 3.14Å; Y119-S121 VanDerWaalsContact O-N 3.1Å |
| 120 | E | 50.3 | Low | 48.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 44% | 0.444 | 65% | 0.652 | S | S | . | * | trans | -71.8 | 103 | 163 | -100 | -179.3 | -176.4 | 0 | 0 | 108.2 | R117 R118 | R117-E120 HydrophobicContact CB-CB 4.2Å; R117-E120 HydrophobicContact CB-CG 3.97Å; R117-E120 WeakPolarHBondContact CB-OE2 3.39Å; R117-E120 WeakPolarHBondContact CD-OE1 3.38Å; R117-E120 WeakPolarHBondContact CD-OE2 3.37Å; R117-E120 IonicContact CZ-OE1 3.69Å; R117-E120 IonicContact NE-OE1 2.93Å; R117-E120 IonicContact NH1-OE1 3Å; R117-E120 PolarHBondContact NH1-OE1 3.49Å; R118-E120 PolarHBondContact O-N 3.46Å | ||
| 121 | S | 52.3 | Low | 47.6 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -97.1 | 10.9 | 172.4 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | Y119 D123 | Y119-S121 PolarHBondContact O-N 3.14Å; Y119-S121 VanDerWaalsContact O-N 3.1Å; S121-D123 PolarHBondContact O-N 2.9Å | ||
| 122 | D | 52.4 | Low | 47 | Very low | 110 Ų | 110 | 134 Ų | 134 | 59% | 0.588 | 66% | 0.66 | S | S | * | * | trans | -78.2 | 105.8 | -178.1 | -167.2 | 8.8 | 0 | 0 | 0 | 109.6 | S124 M125 | D122-S124 PolarHBondContact O-N 3.19Å; D122-S124 WeakPolarHBondContact OD1-CB 3.45Å; D122-S124 PolarHBondContact OD1-N 3.3Å; D122-S124 PolarHBondContact OD1-OG 3Å; D122-S124 PolarHBondContact OD2-OG 3.38Å; D122-M125 PolarHBondContact O-N 3.04Å | ||
| 123 | D | 54.6 | Low | 46.4 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 88% | 0.877 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -6.8 | 177.3 | -123.9 | 5.3 | 0 | 0 | 0 | 112.6 | S121 M125 | S121-D123 PolarHBondContact O-N 2.9Å; D123-M125 VanDerWaalsContact C-N 3.26Å; D123-M125 PolarHBondContact O-N 2.99Å |
| 124 | S | 52.7 | Low | 45.9 | Very low | 86 Ų | 86 | 133 Ų | 133 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -24.6 | 177.8 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | D122 K126 | D122-S124 PolarHBondContact O-N 3.19Å; D122-S124 WeakPolarHBondContact OD1-CB 3.45Å; D122-S124 PolarHBondContact OD1-N 3.3Å; D122-S124 PolarHBondContact OD1-OG 3Å; D122-S124 PolarHBondContact OD2-OG 3.38Å; S124-K126 PolarHBondContact O-N 3.42Å |
| 125 | M | 47.4 | Very low | 45.3 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 50% | 0.502 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -88.1 | 93.3 | 178.2 | -159 | 159.2 | 133.5 | 0 | 0 | 109.8 | D122 D123 Y128 | D122-M125 PolarHBondContact O-N 3.04Å; D123-M125 VanDerWaalsContact C-N 3.26Å; D123-M125 PolarHBondContact O-N 2.99Å; M125-Y128 HydrophobicContact CE-CE2 4.3Å |
| 126 | K | 46.7 | Very low | 44.8 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | trans | -49.7 | 131.1 | 173.8 | -71.9 | -175.9 | 179.6 | -178.9 | 0 | 109.4 | S124 Y128 | S124-K126 PolarHBondContact O-N 3.42Å; K126-Y128 PolarHBondContact O-N 3.33Å | ||
| 127 | P | 46.1 | Very low | 44.1 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | trans | -50.3 | 127.9 | 174.2 | -24.3 | 32.3 | 0 | 0 | 0 | 109.3 | E129 | P127-E129 PolarHBondContact O-N 2.72Š| ||
| 128 | Y | 45.6 | Very low | 43.7 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 73% | 0.725 | 73% | 0.725 | S | S | * | * | trans | -64.1 | 106.6 | 169.3 | -83.3 | -84.5 | 0 | 0 | 0 | 107.7 | M125 K126 C130 | M125-Y128 HydrophobicContact CE-CE2 4.3Å; K126-Y128 PolarHBondContact O-N 3.33Å; Y128-C130 PolarHBondContact O-N 3.36Å | ||
| 129 | E | 37.9 | Very low | 43.7 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -65 | 123.5 | 164.1 | -70.8 | -174.5 | 170.4 | 0 | 0 | 107.1 | P127 L131 | P127-E129 PolarHBondContact O-N 2.72Å; E129-L131 PolarHBondContact O-N 3.34Å | ||
| 130 | C | 36.8 | Very low | 43.2 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | -59.7 | 97.7 | 164.3 | -70.4 | 0 | 0 | 0 | 0 | 107 | Y128 L132 | Y128-C130 PolarHBondContact O-N 3.36Å; C130-L132 VanDerWaalsContact C-N 3.27Å; C130-L132 PolarHBondContact O-N 3.01Å | ||
| 131 | L | 37 | Very low | 42.9 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -63.2 | 98 | 168.9 | -64.6 | 178 | 0 | 0 | 0 | 106 | E129 N133 | E129-L131 PolarHBondContact O-N 3.34Å; L131-N133 PolarHBondContact O-N 3Å | ||
| 132 | L | 36.6 | Very low | 42.3 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 59% | 0.592 | 74% | 0.742 | S | S | * | * | trans | -63.9 | 94 | 164.2 | -69 | 175.9 | 0 | 0 | 0 | 105.3 | C130 I134 | C130-L132 VanDerWaalsContact C-N 3.27Å; C130-L132 PolarHBondContact O-N 3.01Å; L132-I134 HydrophobicContact CB-CG1 4.07Å; L132-I134 PolarHBondContact O-N 3.47Å | ||
| 133 | N | 38.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | -65.3 | 83.7 | 156 | -80.1 | -6.5 | 0 | 0 | 0 | 105.7 | L131 S135 | L131-N133 PolarHBondContact O-N 3Å; N133-S135 PolarHBondContact O-N 3.44Å | ||
| 134 | I | 37.7 | Very low | 40.8 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -69.7 | 68 | 155.4 | -50 | 178 | 0 | 0 | 0 | 104.8 | L132 S136 | L132-I134 HydrophobicContact CB-CG1 4.07Å; L132-I134 PolarHBondContact O-N 3.47Å; I134-S136 PolarHBondContact O-N 3.1Å | ||
| 135 | S | 38.9 | Very low | 40 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | -70.2 | 84.2 | 161.2 | 51.7 | 0 | 0 | 0 | 0 | 105.8 | N133 N137 | N133-S135 PolarHBondContact O-N 3.44Å; S135-N137 PolarHBondContact O-N 3.19Å | ||
| 136 | S | 37.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 11.1 | 88.7 | 131.9 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | I134 | I134-S136 PolarHBondContact O-N 3.1Š| ||
| 137 | N | 37.1 | Very low | 38.8 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -98 | 101.1 | 142.3 | -109 | -47.2 | 0 | 0 | 0 | 106.7 | S135 | S135-N137 PolarHBondContact O-N 3.19Š| ||
| 138 | K | 36 | Very low | 38.1 | Very low | 265 Ų | 265 | 148.2 Ų | 148.2 | 100% | 1.152 | 77% | 0.772 | S | S | * | * | trans | -38.9 | 0 | 165.3 | -172.4 | -179.6 | -175.9 | -179.6 | 0 | 113.2 |
Retrieved 138 of 138 residues in 108 ms
(Link to these results)