| 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 | 75.9 | Confident | 89.5 | Confident | 192 Ų | 192 | 140 Ų | 140 | 95% | 0.946 | 78% | 0.775 | S | S | * | * | 0 | 158.3 | 0 | -62.9 | -178.6 | -62.6 | 0 | 0 | 107.8 | T3 G4 | M1-T3 PolarHBondContact O-N 2.77Å; M1-T3 VanDerWaalsContact O-N 3.07Å; M1-G4 PolarHBondContact O-N 3.27Å | |||
| 2 | P | 81.5 | Confident | 89.9 | Confident | 145 Ų | 145 | 137.3 Ų | 137.3 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -28 | 176.8 | -27.5 | 35.5 | 0 | 0 | 0 | 114 | G4 | P2-G4 VanDerWaalsContact C-N 3.32Å; P2-G4 PolarHBondContact O-N 3.4Å |
| 3 | T | 90 | Very high | 90.1 | Very high | 75 Ų | 75 | 138.2 Ų | 138.2 | 46% | 0.46 | 77% | 0.772 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | 23.9 | 177.3 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | M1 E5 I6 | M1-T3 PolarHBondContact O-N 2.77Å; M1-T3 VanDerWaalsContact O-N 3.07Å; T3-E5 PolarHBondContact O-N 3.14Å; T3-I6 HydrophobicContact CG2-CD1 4.23Å; T3-I6 WeakPolarHBondContact O-CG1 3.49Å; T3-I6 PolarHBondContact O-N 3.43Å |
| 4 | G | 90.8 | Very high | 90.4 | Very high | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -9.3 | -171 | 0 | 0 | 0 | 0 | 0 | 115.8 | M1 P2 | M1-G4 PolarHBondContact O-N 3.27Å; P2-G4 VanDerWaalsContact C-N 3.32Å; P2-G4 PolarHBondContact O-N 3.4Å |
| 5 | E | 92 | Very high | 90.5 | Very high | 194 Ų | 194 | 138.3 Ų | 138.3 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -5.2 | -177.3 | -61.7 | 177.5 | 174.3 | 0 | 0 | 113.4 | T3 | T3-E5 PolarHBondContact O-N 3.14Š|
| 6 | I | 93 | Very high | 90.5 | Very high | 122 Ų | 122 | 137.3 Ų | 137.3 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | -126.3 | 141.8 | -174.8 | 59.5 | 172 | 0 | 0 | 0 | 110.6 | T3 | T3-I6 HydrophobicContact CG2-CD1 4.23Å; T3-I6 WeakPolarHBondContact O-CG1 3.49Å; T3-I6 PolarHBondContact O-N 3.43Å | ||
| 7 | E | 90.8 | Very high | 90.6 | Very high | 190 Ų | 190 | 134.8 Ų | 134.8 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -125.5 | 145.9 | 173.1 | -64.8 | -173.5 | 161.9 | 0 | 0 | 109.2 | ||||
| 8 | I | 90 | Very high | 90.6 | Very high | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | -100.7 | 119.4 | 174.7 | -62.4 | 174.4 | 0 | 0 | 0 | 107.2 | A10 | I8-A10 PolarHBondContact O-N 3.49Š| ||
| 9 | V | 93.4 | Very high | 90.3 | Very high | 134 Ų | 134 | 134.4 Ų | 134.4 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -80.9 | 110.5 | 168.8 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 10 | A | 92.3 | Very high | 90.1 | Very high | 65 Ų | 65 | 132.2 Ų | 132.2 | 54% | 0.537 | 75% | 0.746 | S | S | . | * | trans | -77 | 124.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I8 I13 | I8-A10 PolarHBondContact O-N 3.49Å; A10-I13 HydrophobicContact CB-CG1 4.32Å | ||
| 11 | E | 95 | Very high | 90.1 | Very high | 197 Ų | 197 | 132.1 Ų | 132.1 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -84.8 | -31.4 | 172.8 | -66 | -177.6 | 172.2 | 0 | 0 | 112.3 | ||
| 12 | S | 94.5 | Very high | 90.7 | Very high | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -152.6 | 155.4 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | I | 92.4 | Very high | 91.1 | Very high | 149 Ų | 149 | 121.5 Ų | 121.5 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | -132.8 | 123.3 | 176.1 | -61.1 | 176 | 0 | 0 | 0 | 107.6 | A10 | A10-I13 HydrophobicContact CB-CG1 4.32Š| ||
| 14 | E | 93.8 | Very high | 91.2 | Very high | 172 Ų | 172 | 118.7 Ų | 118.7 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -114.7 | 135.2 | 173.7 | -171.9 | -179.7 | 173 | 0 | 0 | 109.2 | P16 | E14-P16 VanDerWaalsContact O-CD 3.3Å; E14-P16 WeakPolarHBondContact O-CD 3.13Å | ||
| 15 | I | 91.9 | Very high | 91.2 | Very high | 107 Ų | 107 | 119.6 Ų | 119.6 | 55% | 0.549 | 67% | 0.665 | S | S | . | * | trans | -104.1 | 101 | 176 | -59.2 | 174.8 | 0 | 0 | 0 | 107.6 | S17 | I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 WeakPolarHBondContact CG2-O 3.47Å; I15-S17 PolarHBondContact O-N 2.84Å | ||
| 16 | P | 90.9 | Very high | 91.2 | Very high | 121 Ų | 121 | 112 Ų | 112 | 79% | 0.786 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -70.4 | -22.8 | -175.1 | 26.4 | -34.6 | 0 | 0 | 0 | 113 | E14 | E14-P16 VanDerWaalsContact O-CD 3.3Å; E14-P16 WeakPolarHBondContact O-CD 3.13Å |
| 17 | S | 92.2 | Very high | 91.1 | Very high | 95 Ų | 95 | 113.9 Ų | 113.9 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | trans | -161.3 | 144.4 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | I15 | I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 WeakPolarHBondContact CG2-O 3.47Å; I15-S17 PolarHBondContact O-N 2.84Å | ||
| 18 | H | 90.2 | Very high | 91.2 | Very high | 164 Ų | 164 | 107.8 Ų | 107.8 | 76% | 0.759 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 134.6 | 170.9 | -66.5 | -78.8 | 0 | 0 | 0 | 110.3 | ||
| 19 | S | 85.4 | Confident | 91.2 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 69% | 0.685 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 145 | 173.4 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 20 | S | 87 | Confident | 91 | Very high | 90 Ų | 90 | 98.1 Ų | 98.1 | 63% | 0.629 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 158.8 | 161.3 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | L22 | S20-L22 PolarHBondContact O-N 3.05Å; S20-L22 VanDerWaalsContact O-N 3.17Å |
| 21 | P | 88.6 | Confident | 91 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 85% | 0.851 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 123.3 | 174 | -26.5 | 34.9 | 0 | 0 | 0 | 111.1 | ||
| 22 | L | 89.3 | Confident | 90.9 | Very high | 61 Ų | 61 | 93.8 Ų | 93.8 | 32% | 0.319 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 141.4 | 178.5 | -61.3 | 177.7 | 0 | 0 | 0 | 109.6 | S20 F24 L25 I43 | S20-L22 PolarHBondContact O-N 3.05Å; S20-L22 VanDerWaalsContact O-N 3.17Å; L22-F24 WeakPolarHBondContact CB-O 3.41Å; L22-F24 PolarHBondContact O-N 3.02Å; L22-L25 HydrophobicContact CD1-CD2 4.45Å; L22-I43 HydrophobicContact CB-CD1 4.13Å; L22-I43 HydrophobicContact CD2-CD1 3.86Å; L22-I43 HydrophobicContact CD2-CG1 4.36Å; L22-I43 HydrophobicContact CG-CD1 4.48Å |
| 23 | S | 89.4 | Confident | 90.8 | Very high | 54 Ų | 54 | 93.2 Ų | 93.2 | 38% | 0.378 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -60.1 | -33.7 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | Y40 | S23-Y40 WeakPolarHBondContact OG-CE1 3.44Å; S23-Y40 WeakPolarHBondContact OG-CE2 3.41Å |
| 24 | F | 92.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 92.3 Ų | 92.3 | 7% | 0.07 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -150.9 | 158.5 | 170.3 | 58.1 | -90.3 | 0 | 0 | 0 | 109.9 | L22 A29 V32 E36 R37 Y40 I43 D44 | L22-F24 WeakPolarHBondContact CB-O 3.41Å; L22-F24 PolarHBondContact O-N 3.02Å; F24-A29 HydrophobicContact CD2-CB 4.14Å; F24-A29 HydrophobicContact CE2-CB 3.84Å; F24-V32 HydrophobicContact CB-CG2 3.7Å; F24-V32 HydrophobicContact CD1-CG1 3.93Å; F24-V32 HydrophobicContact CD1-CG2 4.17Å; F24-V32 HydrophobicContact CD2-CG2 4.14Å; F24-V32 HydrophobicContact CE1-CG1 4.17Å; F24-V32 HydrophobicContact CG-CG1 4.36Å; F24-V32 HydrophobicContact CG-CG2 3.77Å; F24-E36 HydrophobicContact CD1-CG 4.26Å; F24-E36 HydrophobicContact CE1-CG 4.25Å; F24-R37 HydrophobicContact CZ-CG 4.39Å; F24-Y40 HydrophobicContact CE1-CD2 4.28Å; F24-Y40 HydrophobicContact CE1-CG 4.46Å; F24-I43 HydrophobicContact CD2-CG2 3.82Å; F24-I43 HydrophobicContact CE2-CB 3.91Å; F24-I43 HydrophobicContact CE2-CG2 3.46Å; F24-I43 VanDerWaalsContact CE2-CG2 3.46Å; F24-I43 HydrophobicContact CZ-CB 3.89Å; F24-I43 HydrophobicContact CZ-CG2 3.95Å; F24-I43 WeakPolarHBondContact O-CG2 3.27Å; F24-D44 HydrophobicContact CE2-CB 4.5Å; F24-D44 HydrophobicContact CZ-CB 4.25Å |
| 25 | L | 91.7 | Very high | 90.6 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | trans | -83.7 | 145.4 | 173.5 | -60 | 173 | 0 | 0 | 0 | 109.9 | L22 K27 D28 A29 | L22-L25 HydrophobicContact CD1-CD2 4.45Å; L25-K27 HydrophobicContact CB-CG 3.88Å; L25-K27 PolarHBondContact O-N 3.05Å; L25-D28 WeakPolarHBondContact CB-OD2 3.2Å; L25-D28 PolarHBondContact O-N 3.43Å; L25-A29 PolarHBondContact O-N 2.84Å | ||
| 26 | P | 91.6 | Very high | 90.6 | Very high | 36 Ų | 36 | 89.2 Ų | 89.2 | 23% | 0.234 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -28.1 | 179.7 | -28.1 | 34.6 | 0 | 0 | 0 | 115.1 | D28 A29 I43 R46 S47 | P26-D28 VanDerWaalsContact C-N 3.33Å; P26-A29 WeakPolarHBondContact O-CB 3.45Å; P26-I43 HydrophobicContact CG-CG2 3.98Å; P26-R46 HydrophobicContact CB-CB 4.08Å; P26-R46 HydrophobicContact CG-CB 4.03Å; P26-S47 VanDerWaalsContact O-CB 3.26Å; P26-S47 WeakPolarHBondContact O-CB 3.37Å |
| 27 | K | 91.3 | Very high | 90.6 | Very high | 160 Ų | 160 | 86.6 Ų | 86.6 | 70% | 0.696 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -29.5 | 175.6 | 54.5 | 167.1 | -175.5 | 177.6 | 0 | 113.3 | L25 | L25-K27 HydrophobicContact CB-CG 3.88Å; L25-K27 PolarHBondContact O-N 3.05Å |
| 28 | D | 92.2 | Very high | 90.4 | Very high | 63 Ų | 63 | 86.8 Ų | 86.8 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.3 | -174.8 | -55.2 | -39.6 | 0 | 0 | 0 | 111.7 | L25 P26 A30 N31 | L25-D28 WeakPolarHBondContact CB-OD2 3.2Å; L25-D28 PolarHBondContact O-N 3.43Å; P26-D28 VanDerWaalsContact C-N 3.33Å; D28-A30 PolarHBondContact O-N 3.4Å; D28-N31 WeakPolarHBondContact O-CB 3.48Å; D28-N31 PolarHBondContact O-N 3.48Å |
| 29 | A | 90.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 86.1 Ų | 86.1 | 3% | 0.025 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -53.9 | -28.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F24 L25 P26 N31 V32 R37 | F24-A29 HydrophobicContact CD2-CB 4.14Å; F24-A29 HydrophobicContact CE2-CB 3.84Å; L25-A29 PolarHBondContact O-N 2.84Å; P26-A29 WeakPolarHBondContact O-CB 3.45Å; A29-N31 PolarHBondContact O-N 2.78Å; A29-V32 PolarHBondContact O-N 3.21Å; A29-R37 VanDerWaalsContact O-CD 3.26Å; A29-R37 WeakPolarHBondContact O-CD 3.42Å |
| 30 | A | 89.1 | Confident | 90.5 | Very high | 90 Ų | 90 | 84 Ų | 84 | 74% | 0.744 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -66 | -24.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D28 | D28-A30 PolarHBondContact O-N 3.4Š|
| 31 | N | 92.3 | Very high | 90.6 | Very high | 145 Ų | 145 | 84.2 Ų | 84.2 | 78% | 0.775 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -95.2 | 0.7 | -178.1 | -58.7 | -28.3 | 0 | 0 | 0 | 112.7 | D28 A29 | D28-N31 WeakPolarHBondContact O-CB 3.48Å; D28-N31 PolarHBondContact O-N 3.48Å; A29-N31 PolarHBondContact O-N 2.78Å |
| 32 | V | 91.7 | Very high | 90.5 | Very high | 26 Ų | 26 | 84.1 Ų | 84.1 | 16% | 0.158 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -98.8 | 140.7 | -175.7 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | F24 A29 E36 R37 | F24-V32 HydrophobicContact CB-CG2 3.7Å; F24-V32 HydrophobicContact CD1-CG1 3.93Å; F24-V32 HydrophobicContact CD1-CG2 4.17Å; F24-V32 HydrophobicContact CD2-CG2 4.14Å; F24-V32 HydrophobicContact CE1-CG1 4.17Å; F24-V32 HydrophobicContact CG-CG1 4.36Å; F24-V32 HydrophobicContact CG-CG2 3.77Å; A29-V32 PolarHBondContact O-N 3.21Å; V32-E36 HydrophobicContact CG1-CB 3.71Å; V32-E36 HydrophobicContact CG1-CG 3.75Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.36Å; V32-R37 HydrophobicContact CB-CG 3.97Å; V32-R37 HydrophobicContact CG1-CG 3.93Å; V32-R37 WeakPolarHBondContact O-CD 3.33Å |
| 33 | N | 93.6 | Very high | 90.6 | Very high | 95 Ų | 95 | 81.2 Ų | 81.2 | 51% | 0.508 | 40% | 0.404 | S | S | . | . | trans | -56.7 | 139.8 | 175.5 | -179.9 | -6.1 | 0 | 0 | 0 | 110.9 | M35 E36 R37 | N33-M35 VanDerWaalsContact C-N 3.26Å; N33-M35 PolarHBondContact O-N 3.21Å; N33-M35 PolarHBondContact OD1-N 3.32Å; N33-E36 PolarHBondContact O-N 3.45Å; N33-R37 PolarHBondContact O-N 3.5Å | ||
| 34 | E | 91.2 | Very high | 90.6 | Very high | 130 Ų | 130 | 78.7 Ų | 78.7 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -50 | -42.6 | 176.8 | -175.5 | 174.9 | -171.3 | 0 | 0 | 113.4 | E36 R37 L38 | E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.41Å; E34-R37 PolarHBondContact O-N 2.91Å; E34-L38 HydrophobicContact CG-CD1 3.93Å; E34-L38 HydrophobicContact CG-CG 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.3Å; E34-L38 PolarHBondContact O-N 2.84Å |
| 35 | M | 91.5 | Very high | 90.6 | Very high | 141 Ų | 141 | 80.4 Ų | 80.4 | 70% | 0.695 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.1 | -40.3 | 178.6 | -71.2 | -165.8 | -71.6 | 0 | 0 | 112.3 | N33 K39 | N33-M35 VanDerWaalsContact C-N 3.26Å; N33-M35 PolarHBondContact O-N 3.21Å; N33-M35 PolarHBondContact OD1-N 3.32Å; M35-K39 WeakPolarHBondContact O-CB 3.45Å; M35-K39 PolarHBondContact O-N 2.83Å |
| 36 | E | 90.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 84.1 Ų | 84.1 | 35% | 0.346 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.4 | -38.3 | 178.8 | -175.6 | 171.9 | -165.4 | 0 | 0 | 111.3 | F24 V32 N33 E34 L38 K39 Y40 | F24-E36 HydrophobicContact CD1-CG 4.26Å; F24-E36 HydrophobicContact CE1-CG 4.25Å; V32-E36 HydrophobicContact CG1-CB 3.71Å; V32-E36 HydrophobicContact CG1-CG 3.75Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.36Å; N33-E36 PolarHBondContact O-N 3.45Å; E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.41Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.87Å; E36-K39 PolarHBondContact O-N 2.88Å; E36-Y40 HydrophobicContact CG-CD2 3.89Å; E36-Y40 HydrophobicContact CG-CE2 4.14Å; E36-Y40 WeakPolarHBondContact O-CD2 3.47Å; E36-Y40 PolarHBondContact O-N 3.34Å |
| 37 | R | 90.9 | Very high | 90.6 | Very high | 66 Ų | 66 | 82.8 Ų | 82.8 | 25% | 0.249 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 172.9 | -66.7 | 173.9 | 64 | -150.5 | -7.5 | 112.5 | F24 A29 V32 N33 E34 Y40 R41 D44 | F24-R37 HydrophobicContact CZ-CG 4.39Å; A29-R37 VanDerWaalsContact O-CD 3.26Å; A29-R37 WeakPolarHBondContact O-CD 3.42Å; V32-R37 HydrophobicContact CB-CG 3.97Å; V32-R37 HydrophobicContact CG1-CG 3.93Å; V32-R37 WeakPolarHBondContact O-CD 3.33Å; N33-R37 PolarHBondContact O-N 3.5Å; E34-R37 PolarHBondContact O-N 2.91Å; R37-Y40 CarbonylContact O-C 3.23Å; R37-Y40 VanDerWaalsContact O-C 3.23Å; R37-R41 WeakPolarHBondContact O-CA 3.38Å; R37-R41 PolarHBondContact O-N 2.83Å; R37-D44 HydrophobicContact CB-CB 4.26Å; R37-D44 IonicContact CZ-OD1 3.11Å; R37-D44 IonicContact CZ-OD2 3.34Å; R37-D44 IonicContact NE-OD1 2.93Å; R37-D44 PolarHBondContact NE-OD1 3.01Å; R37-D44 IonicContact NE-OD2 2.91Å; R37-D44 IonicContact NH2-OD1 3.68Å; R37-D44 PolarHBondContact NH2-OD1 2.85Å; R37-D44 IonicContact NH2-OD2 2.89Å; R37-D44 PolarHBondContact NH2-OD2 3.25Å; R37-D44 VanDerWaalsContact NH2-OD2 3.13Å |
| 38 | L | 87.8 | Confident | 90.6 | Very high | 98 Ų | 98 | 79.5 Ų | 79.5 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 176.3 | -70.4 | 175.6 | 0 | 0 | 0 | 111.5 | E34 E36 Y40 R41 | E34-L38 HydrophobicContact CG-CD1 3.93Å; E34-L38 HydrophobicContact CG-CG 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.3Å; E34-L38 PolarHBondContact O-N 2.84Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.87Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.34Å; L38-R41 WeakPolarHBondContact O-CB 3.12Å; L38-R41 PolarHBondContact O-N 2.8Å |
| 39 | K | 88.1 | Confident | 90.5 | Very high | 150 Ų | 150 | 79.2 Ų | 79.2 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 174.4 | -175.2 | -179.4 | 178.1 | -168.7 | 0 | 111.6 | M35 E36 | M35-K39 WeakPolarHBondContact O-CB 3.45Å; M35-K39 PolarHBondContact O-N 2.83Å; E36-K39 PolarHBondContact O-N 2.88Å |
| 40 | Y | 89.2 | Confident | 90.6 | Very high | 54 Ų | 54 | 80.1 Ų | 80.1 | 21% | 0.212 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 46.2 | 178.1 | -56.5 | -75.6 | 0 | 0 | 0 | 111.9 | S23 F24 E36 R37 L38 Y42 I43 D44 | S23-Y40 WeakPolarHBondContact OG-CE1 3.44Å; S23-Y40 WeakPolarHBondContact OG-CE2 3.41Å; F24-Y40 HydrophobicContact CE1-CD2 4.28Å; F24-Y40 HydrophobicContact CE1-CG 4.46Å; E36-Y40 HydrophobicContact CG-CD2 3.89Å; E36-Y40 HydrophobicContact CG-CE2 4.14Å; E36-Y40 WeakPolarHBondContact O-CD2 3.47Å; E36-Y40 PolarHBondContact O-N 3.34Å; R37-Y40 CarbonylContact O-C 3.23Å; R37-Y40 VanDerWaalsContact O-C 3.23Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.34Å; Y40-Y42 AromaticContact CD1-CE1 3.9Å; Y40-Y42 HydrophobicContact CD1-CE1 3.9Å; Y40-Y42 WeakPolarHBondContact CD1-OH 3.31Å; Y40-Y42 PolarHBondContact O-N 2.93Å; Y40-Y42 VanDerWaalsContact O-N 3.09Å; Y40-I43 HydrophobicContact CG-CD1 4.42Å; Y40-I43 WeakPolarHBondContact O-CB 3.2Å; Y40-I43 PolarHBondContact O-N 2.9Å; Y40-D44 PolarHBondContact O-N 3Å |
| 41 | R | 89.3 | Confident | 90.7 | Very high | 95 Ų | 95 | 78.5 Ų | 78.5 | 36% | 0.358 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.3 | -31.9 | -174.6 | -172.9 | 58 | 173.9 | -171 | -7.4 | 113.4 | R37 L38 I43 D44 L45 | R37-R41 WeakPolarHBondContact O-CA 3.38Å; R37-R41 PolarHBondContact O-N 2.83Å; L38-R41 WeakPolarHBondContact O-CB 3.12Å; L38-R41 PolarHBondContact O-N 2.8Å; R41-I43 PolarHBondContact O-N 2.95Å; R41-D44 IonicContact CZ-OD2 3.13Å; R41-D44 IonicContact NH1-OD2 3.59Å; R41-D44 PolarHBondContact NH1-OD2 3.25Å; R41-D44 PolarHBondContact O-N 2.84Å; R41-L45 HydrophobicContact CG-CD1 4.11Å; R41-L45 HydrophobicContact CG-CG 4.04Å; R41-L45 WeakPolarHBondContact O-CB 3.41Å; R41-L45 WeakPolarHBondContact O-CG 3.09Å; R41-L45 PolarHBondContact O-N 2.73Å |
| 42 | Y | 87.8 | Confident | 90.7 | Very high | 128 Ų | 128 | 79.3 Ų | 79.3 | 50% | 0.502 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -24.6 | 175.8 | 66.1 | -89.5 | 0 | 0 | 0 | 113.7 | Y40 R46 | Y40-Y42 AromaticContact CD1-CE1 3.9Å; Y40-Y42 HydrophobicContact CD1-CE1 3.9Å; Y40-Y42 WeakPolarHBondContact CD1-OH 3.31Å; Y40-Y42 PolarHBondContact O-N 2.93Å; Y40-Y42 VanDerWaalsContact O-N 3.09Å; Y42-R46 WeakPolarHBondContact O-CG 3.48Å |
| 43 | I | 90.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -82.5 | -48.4 | 171.9 | -53.4 | -179.1 | 0 | 0 | 0 | 109.7 | L22 F24 P26 Y40 R41 L45 R46 | L22-I43 HydrophobicContact CB-CD1 4.13Å; L22-I43 HydrophobicContact CD2-CD1 3.86Å; L22-I43 HydrophobicContact CD2-CG1 4.36Å; L22-I43 HydrophobicContact CG-CD1 4.48Å; F24-I43 HydrophobicContact CD2-CG2 3.82Å; F24-I43 HydrophobicContact CE2-CB 3.91Å; F24-I43 HydrophobicContact CE2-CG2 3.46Å; F24-I43 VanDerWaalsContact CE2-CG2 3.46Å; F24-I43 HydrophobicContact CZ-CB 3.89Å; F24-I43 HydrophobicContact CZ-CG2 3.95Å; F24-I43 WeakPolarHBondContact O-CG2 3.27Å; P26-I43 HydrophobicContact CG-CG2 3.98Å; Y40-I43 HydrophobicContact CG-CD1 4.42Å; Y40-I43 WeakPolarHBondContact O-CB 3.2Å; Y40-I43 PolarHBondContact O-N 2.9Å; R41-I43 PolarHBondContact O-N 2.95Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.08Å; I43-R46 VanDerWaalsContact O-CB 3.31Å; I43-R46 WeakPolarHBondContact O-CB 3.5Å; I43-R46 PolarHBondContact O-N 3.3Å |
| 44 | D | 90.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -37.7 | -178.4 | -177.9 | 47 | 0 | 0 | 0 | 112.5 | F24 R37 Y40 R41 R46 S47 M50 | F24-D44 HydrophobicContact CE2-CB 4.5Å; F24-D44 HydrophobicContact CZ-CB 4.25Å; R37-D44 HydrophobicContact CB-CB 4.26Å; R37-D44 IonicContact CZ-OD1 3.11Å; R37-D44 IonicContact CZ-OD2 3.34Å; R37-D44 IonicContact NE-OD1 2.93Å; R37-D44 PolarHBondContact NE-OD1 3.01Å; R37-D44 IonicContact NE-OD2 2.91Å; R37-D44 IonicContact NH2-OD1 3.68Å; R37-D44 PolarHBondContact NH2-OD1 2.85Å; R37-D44 IonicContact NH2-OD2 2.89Å; R37-D44 PolarHBondContact NH2-OD2 3.25Å; R37-D44 VanDerWaalsContact NH2-OD2 3.13Å; Y40-D44 PolarHBondContact O-N 3Å; R41-D44 IonicContact CZ-OD2 3.13Å; R41-D44 IonicContact NH1-OD2 3.59Å; R41-D44 PolarHBondContact NH1-OD2 3.25Å; R41-D44 PolarHBondContact O-N 2.84Å; D44-R46 PolarHBondContact O-N 3.09Å; D44-R46 VanDerWaalsContact O-N 3.15Å; D44-S47 VanDerWaalsContact O-CB 3.31Å; D44-S47 WeakPolarHBondContact O-CB 3.46Å; D44-S47 PolarHBondContact O-N 2.82Å; D44-S47 PolarHBondContact O-OG 3.32Å; D44-M50 WeakPolarHBondContact O-CB 3.28Å; D44-M50 VanDerWaalsContact O-CG 3.29Å; D44-M50 WeakPolarHBondContact O-CG 3.42Å |
| 45 | L | 90.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 79 Ų | 79 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.8 | 174.3 | -71.5 | 171.6 | 0 | 0 | 0 | 112.9 | R41 I43 M50 Q51 I54 | R41-L45 HydrophobicContact CG-CD1 4.11Å; R41-L45 HydrophobicContact CG-CG 4.04Å; R41-L45 WeakPolarHBondContact O-CB 3.41Å; R41-L45 WeakPolarHBondContact O-CG 3.09Å; R41-L45 PolarHBondContact O-N 2.73Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.08Å; L45-M50 HydrophobicContact CD2-CE 4.31Å; L45-Q51 WeakPolarHBondContact O-CG 3.26Å; L45-Q51 PolarHBondContact O-NE2 2.69Å; L45-I54 HydrophobicContact CD2-CD1 3.57Å |
| 46 | R | 91.3 | Very high | 91 | Very high | 160 Ų | 160 | 78.6 Ų | 78.6 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.2 | 176.8 | -59.6 | 176.3 | -178.6 | -170.1 | -2.6 | 113.2 | P26 Y42 I43 D44 | P26-R46 HydrophobicContact CB-CB 4.08Å; P26-R46 HydrophobicContact CG-CB 4.03Å; Y42-R46 WeakPolarHBondContact O-CG 3.48Å; I43-R46 VanDerWaalsContact O-CB 3.31Å; I43-R46 WeakPolarHBondContact O-CB 3.5Å; I43-R46 PolarHBondContact O-N 3.3Å; D44-R46 PolarHBondContact O-N 3.09Å; D44-R46 VanDerWaalsContact O-N 3.15Å |
| 47 | S | 92.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 81.7 Ų | 81.7 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -61.5 | 146.7 | 177.4 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | P26 D44 S49 M50 Q51 | P26-S47 VanDerWaalsContact O-CB 3.26Å; P26-S47 WeakPolarHBondContact O-CB 3.37Å; D44-S47 VanDerWaalsContact O-CB 3.31Å; D44-S47 WeakPolarHBondContact O-CB 3.46Å; D44-S47 PolarHBondContact O-N 2.82Å; D44-S47 PolarHBondContact O-OG 3.32Å; S47-S49 PolarHBondContact O-N 3.43Å; S47-M50 PolarHBondContact O-N 2.8Å; S47-M50 VanDerWaalsContact O-N 3.16Å; S47-M50 VanDerWaalsContact OG-CB 3.28Å; S47-M50 WeakPolarHBondContact OG-CB 3.33Å; S47-M50 VanDerWaalsContact OG-CG 3.31Å; S47-M50 WeakPolarHBondContact OG-CG 3.25Å; S47-M50 PolarHBondContact OG-N 3.08Å; S47-Q51 WeakPolarHBondContact O-CB 3.39Å; S47-Q51 WeakPolarHBondContact O-CG 3.18Å; S47-Q51 PolarHBondContact O-N 3.03Å |
| 48 | S | 91.5 | Very high | 91.3 | Very high | 90 Ų | 90 | 79 Ų | 79 | 63% | 0.629 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.7 | -33.1 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | R52 | S48-R52 WeakPolarHBondContact O-CB 3.29Å; S48-R52 VanDerWaalsContact O-CG 3.28Å; S48-R52 WeakPolarHBondContact O-CG 2.86Å; S48-R52 PolarHBondContact O-N 2.84Å; S48-R52 PolarHBondContact O-NE 2.99Å |
| 49 | S | 91.1 | Very high | 91.5 | Very high | 57 Ų | 57 | 76.7 Ų | 76.7 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.2 | -52 | 173.8 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | S47 R52 N53 | S47-S49 PolarHBondContact O-N 3.43Å; S49-R52 PolarHBondContact O-N 3.34Å; S49-N53 VanDerWaalsContact O-CG 3.31Å; S49-N53 PolarHBondContact O-N 2.93Å |
| 50 | M | 91 | Very high | 91.8 | Very high | 23 Ų | 23 | 72.5 Ų | 72.5 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | -179.9 | -74.2 | -54 | -46.2 | 0 | 0 | 112.9 | D44 L45 S47 R52 N53 I54 | D44-M50 WeakPolarHBondContact O-CB 3.28Å; D44-M50 VanDerWaalsContact O-CG 3.29Å; D44-M50 WeakPolarHBondContact O-CG 3.42Å; L45-M50 HydrophobicContact CD2-CE 4.31Å; S47-M50 PolarHBondContact O-N 2.8Å; S47-M50 VanDerWaalsContact O-N 3.16Å; S47-M50 VanDerWaalsContact OG-CB 3.28Å; S47-M50 WeakPolarHBondContact OG-CB 3.33Å; S47-M50 VanDerWaalsContact OG-CG 3.31Å; S47-M50 WeakPolarHBondContact OG-CG 3.25Å; S47-M50 PolarHBondContact OG-N 3.08Å; M50-R52 VanDerWaalsContact C-N 3.31Å; M50-R52 PolarHBondContact O-N 2.79Å; M50-N53 PolarHBondContact O-N 2.91Å; M50-N53 VanDerWaalsContact O-N 3.15Å; M50-I54 HydrophobicContact CB-CD1 4.5Å; M50-I54 HydrophobicContact CE-CD1 4.43Å; M50-I54 HydrophobicContact CE-CG1 4.31Å; M50-I54 WeakPolarHBondContact O-CB 3.35Å; M50-I54 WeakPolarHBondContact O-CD1 3.44Å; M50-I54 WeakPolarHBondContact O-CG1 3.5Å; M50-I54 PolarHBondContact O-N 2.79Å |
| 51 | Q | 92.9 | Very high | 92 | Very high | 56 Ų | 56 | 71.5 Ų | 71.5 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 176 | -75.4 | -68.3 | -45.7 | 0 | 0 | 111.9 | L45 S47 R55 | L45-Q51 WeakPolarHBondContact O-CG 3.26Å; L45-Q51 PolarHBondContact O-NE2 2.69Å; S47-Q51 WeakPolarHBondContact O-CB 3.39Å; S47-Q51 WeakPolarHBondContact O-CG 3.18Å; S47-Q51 PolarHBondContact O-N 3.03Å; Q51-R55 WeakPolarHBondContact O-CB 3.39Å; Q51-R55 VanDerWaalsContact O-CG 3.28Å; Q51-R55 WeakPolarHBondContact O-CG 3.33Å; Q51-R55 PolarHBondContact O-N 2.91Å |
| 52 | R | 92.3 | Very high | 92.2 | Very high | 162 Ų | 162 | 67.6 Ų | 67.6 | 61% | 0.611 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 173.2 | -76.9 | -174.9 | -63.7 | 159.8 | 0.6 | 111.5 | S48 S49 M50 I54 R55 F56 | S48-R52 WeakPolarHBondContact O-CB 3.29Å; S48-R52 VanDerWaalsContact O-CG 3.28Å; S48-R52 WeakPolarHBondContact O-CG 2.86Å; S48-R52 PolarHBondContact O-N 2.84Å; S48-R52 PolarHBondContact O-NE 2.99Å; S49-R52 PolarHBondContact O-N 3.34Å; M50-R52 VanDerWaalsContact C-N 3.31Å; M50-R52 PolarHBondContact O-N 2.79Å; R52-I54 PolarHBondContact O-N 2.89Å; R52-R55 PolarHBondContact O-N 2.78Å; R52-F56 VanDerWaalsContact O-CB 3.26Å; R52-F56 WeakPolarHBondContact O-CB 3.48Å; R52-F56 PolarHBondContact O-N 2.84Å |
| 53 | N | 92.7 | Very high | 92.4 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | -179.6 | -68.2 | -13.5 | 0 | 0 | 0 | 112.5 | S49 M50 F56 R57 | S49-N53 VanDerWaalsContact O-CG 3.31Å; S49-N53 PolarHBondContact O-N 2.93Å; M50-N53 PolarHBondContact O-N 2.91Å; M50-N53 VanDerWaalsContact O-N 3.15Å; N53-F56 PolarHBondContact O-N 2.7Å; N53-R57 VanDerWaalsContact O-CB 3.29Å; N53-R57 WeakPolarHBondContact O-CB 3.47Å; N53-R57 PolarHBondContact O-N 2.85Å |
| 54 | I | 92.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | -179.9 | -65 | 161 | 0 | 0 | 0 | 110.6 | L45 M50 R52 F56 R57 S58 T276 I278 | L45-I54 HydrophobicContact CD2-CD1 3.57Å; M50-I54 HydrophobicContact CB-CD1 4.5Å; M50-I54 HydrophobicContact CE-CD1 4.43Å; M50-I54 HydrophobicContact CE-CG1 4.31Å; M50-I54 WeakPolarHBondContact O-CB 3.35Å; M50-I54 WeakPolarHBondContact O-CD1 3.44Å; M50-I54 WeakPolarHBondContact O-CG1 3.5Å; M50-I54 PolarHBondContact O-N 2.79Å; R52-I54 PolarHBondContact O-N 2.89Å; I54-F56 PolarHBondContact O-N 3.47Å; I54-R57 PolarHBondContact O-N 2.82Å; I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 2.6Å; I54-T276 HydrophobicContact CG2-CG2 3.73Å; I54-I278 HydrophobicContact CG2-CB 4.39Å; I54-I278 HydrophobicContact CG2-CD1 3.74Å; I54-I278 HydrophobicContact CG2-CG1 3.54Å; I54-I278 HydrophobicContact CG2-CG2 4.3Å |
| 55 | R | 93.7 | Very high | 92.7 | Very high | 140 Ų | 140 | 74.3 Ų | 74.3 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 176.4 | -71.3 | 175.7 | -166.6 | 160.3 | 5.8 | 111.9 | Q51 R52 S58 S59 T276 | Q51-R55 WeakPolarHBondContact O-CB 3.39Å; Q51-R55 VanDerWaalsContact O-CG 3.28Å; Q51-R55 WeakPolarHBondContact O-CG 3.33Å; Q51-R55 PolarHBondContact O-N 2.91Å; R52-R55 PolarHBondContact O-N 2.78Å; R55-S58 PolarHBondContact O-N 3.41Å; R55-S59 PolarHBondContact O-N 3.02Å; R55-T276 HydrophobicContact CG-CG2 4.03Å |
| 56 | F | 94 | Very high | 92.7 | Very high | 133 Ų | 133 | 72.7 Ų | 72.7 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.1 | -44.4 | 177.3 | -176.4 | -115.2 | 0 | 0 | 0 | 112.1 | R52 N53 I54 S59 I60 | R52-F56 VanDerWaalsContact O-CB 3.26Å; R52-F56 WeakPolarHBondContact O-CB 3.48Å; R52-F56 PolarHBondContact O-N 2.84Å; N53-F56 PolarHBondContact O-N 2.7Å; I54-F56 PolarHBondContact O-N 3.47Å; F56-S59 PolarHBondContact O-N 2.91Å; F56-S59 PolarHBondContact O-OG 2.88Å; F56-S59 VanDerWaalsContact O-OG 3.06Å; F56-I60 HydrophobicContact CD1-CD1 3.68Å; F56-I60 HydrophobicContact CD2-CD1 4.27Å; F56-I60 HydrophobicContact CE1-CD1 3.24Å; F56-I60 HydrophobicContact CE1-CG1 4.42Å; F56-I60 HydrophobicContact CE2-CD1 3.88Å; F56-I60 HydrophobicContact CE2-CG1 4.3Å; F56-I60 HydrophobicContact CG-CD1 4.19Å; F56-I60 HydrophobicContact CZ-CD1 3.36Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 WeakPolarHBondContact O-CG1 3.27Å; F56-I60 PolarHBondContact O-N 3.4Å |
| 57 | R | 94 | Very high | 92.8 | Very high | 140 Ų | 140 | 70.6 Ų | 70.6 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 174.1 | 179.1 | -179.9 | 176.3 | 84.4 | -0.9 | 111 | N53 I54 S59 I60 I61 E279 | N53-R57 VanDerWaalsContact O-CB 3.29Å; N53-R57 WeakPolarHBondContact O-CB 3.47Å; N53-R57 PolarHBondContact O-N 2.85Å; I54-R57 PolarHBondContact O-N 2.82Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.05Å; R57-I60 PolarHBondContact O-N 3.37Å; R57-I61 HydrophobicContact CG-CD1 3.64Å; R57-I61 HydrophobicContact CG-CG1 4.33Å; R57-I61 VanDerWaalsContact O-CG1 3.26Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.8Å; R57-E279 IonicContact CZ-OE2 3.55Å; R57-E279 IonicContact NE-OE2 3.96Å; R57-E279 IonicContact NH2-OE1 3.77Å; R57-E279 IonicContact NH2-OE2 3.73Å; R57-E279 PolarHBondContact NH2-OE2 3.25Å |
| 58 | S | 93.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 73.4 Ų | 73.4 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -43 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | I54 R55 I61 L62 E277 | I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 2.6Å; R55-S58 PolarHBondContact O-N 3.41Å; S58-I61 PolarHBondContact O-N 2.78Å; S58-L62 WeakPolarHBondContact O-CB 3.22Å; S58-L62 PolarHBondContact O-N 2.78Å; S58-E277 PolarHBondContact OG-N 3.11Å |
| 59 | S | 93.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 178.8 | 82.8 | 0 | 0 | 0 | 0 | 112.4 | R55 F56 R57 L62 Q63 | R55-S59 PolarHBondContact O-N 3.02Å; F56-S59 PolarHBondContact O-N 2.91Å; F56-S59 PolarHBondContact O-OG 2.88Å; F56-S59 VanDerWaalsContact O-OG 3.06Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.05Å; S59-L62 PolarHBondContact O-N 2.87Å; S59-Q63 WeakPolarHBondContact O-CG 3.32Å; S59-Q63 PolarHBondContact O-N 2.85Å |
| 60 | I | 94.8 | Very high | 92.3 | Very high | 61 Ų | 61 | 72 Ų | 72 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 176.6 | -73.1 | 168 | 0 | 0 | 0 | 110.5 | F56 R57 L62 Q63 M64 | F56-I60 HydrophobicContact CD1-CD1 3.68Å; F56-I60 HydrophobicContact CD2-CD1 4.27Å; F56-I60 HydrophobicContact CE1-CD1 3.24Å; F56-I60 HydrophobicContact CE1-CG1 4.42Å; F56-I60 HydrophobicContact CE2-CD1 3.88Å; F56-I60 HydrophobicContact CE2-CG1 4.3Å; F56-I60 HydrophobicContact CG-CD1 4.19Å; F56-I60 HydrophobicContact CZ-CD1 3.36Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 WeakPolarHBondContact O-CG1 3.27Å; F56-I60 PolarHBondContact O-N 3.4Å; R57-I60 PolarHBondContact O-N 3.37Å; I60-L62 VanDerWaalsContact C-N 3.3Å; I60-L62 PolarHBondContact O-N 3.32Å; I60-Q63 PolarHBondContact O-N 3.43Å; I60-M64 HydrophobicContact CG2-CG 4.25Å; I60-M64 HydrophobicContact CG2-SD 3.82Å; I60-M64 WeakPolarHBondContact O-CG 3.32Å; I60-M64 PolarHBondContact O-N 2.82Å |
| 61 | I | 92.9 | Very high | 91.8 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 17% | 0.174 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | -177.1 | -67.2 | 172.2 | 0 | 0 | 0 | 110 | R57 S58 Q63 M64 R65 | R57-I61 HydrophobicContact CG-CD1 3.64Å; R57-I61 HydrophobicContact CG-CG1 4.33Å; R57-I61 VanDerWaalsContact O-CG1 3.26Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.8Å; S58-I61 PolarHBondContact O-N 2.78Å; I61-Q63 PolarHBondContact O-N 3.34Å; I61-M64 PolarHBondContact O-N 2.76Å; I61-R65 HydrophobicContact CG2-CG 4.41Å; I61-R65 VanDerWaalsContact CG2-CZ 3.43Å; I61-R65 WeakPolarHBondContact O-CB 3.39Å; I61-R65 WeakPolarHBondContact O-CG 3.42Å; I61-R65 PolarHBondContact O-N 3.34Å |
| 62 | L | 92.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.4 | -173.5 | 65.4 | 0 | 0 | 0 | 112 | S58 S59 I60 R65 N66 R266 C270 Q271 | S58-L62 WeakPolarHBondContact O-CB 3.22Å; S58-L62 PolarHBondContact O-N 2.78Å; S59-L62 PolarHBondContact O-N 2.87Å; I60-L62 VanDerWaalsContact C-N 3.3Å; I60-L62 PolarHBondContact O-N 3.32Å; L62-R65 PolarHBondContact O-N 3.2Å; L62-N66 WeakPolarHBondContact O-CB 3.28Å; L62-N66 PolarHBondContact O-N 3.42Å; L62-N66 PolarHBondContact O-ND2 2.86Å; L62-R266 HydrophobicContact CD1-CB 4.23Å; L62-C270 HydrophobicContact CD2-CB 3.7Å; L62-Q271 HydrophobicContact CD2-CG 3.73Å |
| 63 | Q | 92.9 | Very high | 90.9 | Very high | 134 Ų | 134 | 67.1 Ų | 67.1 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 175 | -74.1 | 178.1 | 0.4 | 0 | 0 | 111.8 | S59 I60 I61 N66 F67 | S59-Q63 WeakPolarHBondContact O-CG 3.32Å; S59-Q63 PolarHBondContact O-N 2.85Å; I60-Q63 PolarHBondContact O-N 3.43Å; I61-Q63 PolarHBondContact O-N 3.34Å; Q63-N66 PolarHBondContact O-N 3.3Å; Q63-F67 WeakPolarHBondContact O-CB 3.38Å; Q63-F67 PolarHBondContact O-N 3.15Å |
| 64 | M | 93.4 | Very high | 90.6 | Very high | 107 Ų | 107 | 67.5 Ų | 67.5 | 53% | 0.527 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.3 | -70.3 | 177.2 | 70.8 | 0 | 0 | 111.6 | I60 I61 F67 L68 | I60-M64 HydrophobicContact CG2-CG 4.25Å; I60-M64 HydrophobicContact CG2-SD 3.82Å; I60-M64 WeakPolarHBondContact O-CG 3.32Å; I60-M64 PolarHBondContact O-N 2.82Å; I61-M64 PolarHBondContact O-N 2.76Å; M64-F67 PolarHBondContact O-N 2.88Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 WeakPolarHBondContact O-CG 3.44Å; M64-L68 PolarHBondContact O-N 3.21Å |
| 65 | R | 93.1 | Very high | 90.4 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.3 | -75.6 | -174.5 | -177.7 | 126.5 | -5.3 | 111.9 | I61 L62 L68 C69 E76 L263 R266 E277 | I61-R65 HydrophobicContact CG2-CG 4.41Å; I61-R65 VanDerWaalsContact CG2-CZ 3.43Å; I61-R65 WeakPolarHBondContact O-CB 3.39Å; I61-R65 WeakPolarHBondContact O-CG 3.42Å; I61-R65 PolarHBondContact O-N 3.34Å; L62-R65 PolarHBondContact O-N 3.2Å; R65-L68 PolarHBondContact O-N 3.46Å; R65-C69 VanDerWaalsContact O-CB 3.24Å; R65-C69 WeakPolarHBondContact O-CB 3.3Å; R65-C69 PolarHBondContact O-N 3.26Å; R65-C69 PolarHBondContact O-SG 3.22Å; R65-C69 VanDerWaalsContact O-SG 3.38Å; R65-E76 WeakPolarHBondContact CD-OE2 3.38Å; R65-E76 IonicContact CZ-OE1 3.88Å; R65-E76 IonicContact NE-OE1 3.6Å; R65-E76 PolarHBondContact NE-OE1 3.22Å; R65-E76 IonicContact NE-OE2 2.71Å; R65-E76 IonicContact NH2-OE1 2.87Å; R65-L263 HydrophobicContact CB-CD1 4.23Å; R65-R266 VanDerWaalsContact CZ-CZ 3.43Å; R65-E277 IonicContact CZ-OE1 3.61Å; R65-E277 IonicContact CZ-OE2 3.61Å; R65-E277 VanDerWaalsContact NH1-CD 3.3Å; R65-E277 IonicContact NH1-OE1 3.73Å; R65-E277 PolarHBondContact NH1-OE1 2.95Å; R65-E277 IonicContact NH1-OE2 2.94Å; R65-E277 PolarHBondContact NH1-OE2 3.37Å; R65-E277 IonicContact NH2-OE1 2.63Å; R65-E277 PolarHBondContact NH2-OE1 3.46Å |
| 66 | N | 91.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 64.4 Ų | 64.4 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -62.7 | -44.8 | 176.1 | -75.3 | -26.4 | 0 | 0 | 0 | 111 | L62 Q63 L68 Q70 N71 N267 Q271 | L62-N66 WeakPolarHBondContact O-CB 3.28Å; L62-N66 PolarHBondContact O-N 3.42Å; L62-N66 PolarHBondContact O-ND2 2.86Å; Q63-N66 PolarHBondContact O-N 3.3Å; N66-L68 PolarHBondContact O-N 3.15Å; N66-Q70 WeakPolarHBondContact O-CA 3.14Å; N66-Q70 VanDerWaalsContact O-CB 3.22Å; N66-Q70 WeakPolarHBondContact O-CB 3.24Å; N66-Q70 PolarHBondContact O-N 2.92Å; N66-Q70 PolarHBondContact OD1-NE2 3.17Å; N66-Q70 PolarHBondContact OD1-OE1 3.4Å; N66-N71 PolarHBondContact O-N 3.16Å; N66-N267 PolarHBondContact ND2-OD1 2.77Å; N66-N267 PolarHBondContact OD1-ND2 3.48Å; N66-N267 PolarHBondContact OD1-OD1 3.01Å; N66-Q271 PolarHBondContact ND2-NE2 2.86Å |
| 67 | F | 91.7 | Very high | 89.8 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -59 | -48.7 | 175.5 | 176.9 | -99.4 | 0 | 0 | 0 | 112.5 | Q63 M64 N71 N72 | Q63-F67 WeakPolarHBondContact O-CB 3.38Å; Q63-F67 PolarHBondContact O-N 3.15Å; M64-F67 PolarHBondContact O-N 2.88Å; F67-N71 VanDerWaalsContact O-CB 3.29Å; F67-N71 WeakPolarHBondContact O-CB 3.46Å; F67-N71 PolarHBondContact O-N 2.95Å; F67-N72 WeakPolarHBondContact CD1-ND2 3.32Å; F67-N72 WeakPolarHBondContact CE1-ND2 3.42Å; F67-N72 WeakPolarHBondContact CZ-ND2 3.47Å; F67-N72 PolarHBondContact O-N 3.05Å; F67-N72 PolarHBondContact O-ND2 2.52Å |
| 68 | L | 90.6 | Very high | 89.1 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -71.7 | -50.1 | -177.6 | -68.2 | 173.2 | 0 | 0 | 0 | 111.7 | M64 R65 N66 N72 G73 F74 | M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 WeakPolarHBondContact O-CG 3.44Å; M64-L68 PolarHBondContact O-N 3.21Å; R65-L68 PolarHBondContact O-N 3.46Å; N66-L68 PolarHBondContact O-N 3.15Å; L68-N72 CarbonylContact O-C 3.53Å; L68-N72 PolarHBondContact O-N 3.31Å; L68-G73 PolarHBondContact O-N 2.8Å; L68-F74 HydrophobicContact CB-CB 4.19Å; L68-F74 HydrophobicContact CB-CD2 4.19Å; L68-F74 HydrophobicContact CB-CG 4.4Å; L68-F74 HydrophobicContact CD2-CD2 3.97Å; L68-F74 HydrophobicContact CD2-CE2 4Å; L68-F74 WeakPolarHBondContact O-CB 3.36Å; L68-F74 WeakPolarHBondContact O-CD2 3.46Å; L68-F74 PolarHBondContact O-N 3.27Å |
| 69 | C | 88.8 | Confident | 88.1 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -81.3 | -44.8 | -170.7 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | R65 F74 L263 | R65-C69 VanDerWaalsContact O-CB 3.24Å; R65-C69 WeakPolarHBondContact O-CB 3.3Å; R65-C69 PolarHBondContact O-N 3.26Å; R65-C69 PolarHBondContact O-SG 3.22Å; R65-C69 VanDerWaalsContact O-SG 3.38Å; C69-F74 WeakPolarHBondContact CA-O 2.79Å; C69-L263 HydrophobicContact CB-CD2 3.69Å |
| 70 | Q | 84.8 | Confident | 86.4 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -83.8 | -44.3 | -177.3 | -55.3 | -179.6 | -27.8 | 0 | 0 | 111.5 | N66 L263 N267 | N66-Q70 WeakPolarHBondContact O-CA 3.14Å; N66-Q70 VanDerWaalsContact O-CB 3.22Å; N66-Q70 WeakPolarHBondContact O-CB 3.24Å; N66-Q70 PolarHBondContact O-N 2.92Å; N66-Q70 PolarHBondContact OD1-NE2 3.17Å; N66-Q70 PolarHBondContact OD1-OE1 3.4Å; Q70-L263 HydrophobicContact CG-CD2 3.8Å; Q70-N267 PolarHBondContact NE2-ND2 3.24Å; Q70-N267 VanDerWaalsContact NE2-ND2 3.18Å |
| 71 | N | 81.9 | Confident | 84.6 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -89.1 | -30.5 | -171.7 | -55.4 | -5.1 | 0 | 0 | 0 | 113.2 | N66 F67 | N66-N71 PolarHBondContact O-N 3.16Å; F67-N71 VanDerWaalsContact O-CB 3.29Å; F67-N71 WeakPolarHBondContact O-CB 3.46Å; F67-N71 PolarHBondContact O-N 2.95Å |
| 72 | N | 82.6 | Confident | 82 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -115.5 | 2.9 | -175.8 | -64.1 | -73.8 | 0 | 0 | 0 | 113.7 | F67 L68 F74 R161 | F67-N72 WeakPolarHBondContact CD1-ND2 3.32Å; F67-N72 WeakPolarHBondContact CE1-ND2 3.42Å; F67-N72 WeakPolarHBondContact CZ-ND2 3.47Å; F67-N72 PolarHBondContact O-N 3.05Å; F67-N72 PolarHBondContact O-ND2 2.52Å; L68-N72 CarbonylContact O-C 3.53Å; L68-N72 PolarHBondContact O-N 3.31Å; N72-F74 VanDerWaalsContact C-N 3.28Å; N72-F74 HydrophobicContact CB-CD2 3.66Å; N72-F74 HydrophobicContact CB-CE2 3.74Å; N72-F74 PolarHBondContact O-N 3.24Å; N72-R161 PolarHBondContact O-NH2 3.05Å |
| 73 | G | 82.4 | Confident | 79.4 | Confident | 19 Ų | 19 | 85.6 Ų | 85.6 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | trans | 65.5 | 22.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | L68 R161 | L68-G73 PolarHBondContact O-N 2.8Å; G73-R161 VanDerWaalsContact C-NH2 3.26Å; G73-R161 PolarHBondContact O-NH2 3.25Å | ||
| 74 | F | 87.1 | Confident | 76.4 | Confident | 94 Ų | 94 | 89.1 Ų | 89.1 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | trans | -67.6 | 151.8 | 171 | -74.2 | -95.4 | 0 | 0 | 0 | 110.7 | L68 C69 N72 P118 | L68-F74 HydrophobicContact CB-CB 4.19Å; L68-F74 HydrophobicContact CB-CD2 4.19Å; L68-F74 HydrophobicContact CB-CG 4.4Å; L68-F74 HydrophobicContact CD2-CD2 3.97Å; L68-F74 HydrophobicContact CD2-CE2 4Å; L68-F74 WeakPolarHBondContact O-CB 3.36Å; L68-F74 WeakPolarHBondContact O-CD2 3.46Å; L68-F74 PolarHBondContact O-N 3.27Å; C69-F74 WeakPolarHBondContact CA-O 2.79Å; N72-F74 VanDerWaalsContact C-N 3.28Å; N72-F74 HydrophobicContact CB-CD2 3.66Å; N72-F74 HydrophobicContact CB-CE2 3.74Å; N72-F74 PolarHBondContact O-N 3.24Å; F74-P118 HydrophobicContact CE2-CB 3.65Å; F74-P118 HydrophobicContact CZ-CB 3.5Å; F74-P118 HydrophobicContact CZ-CG 4.39Å | ||
| 75 | T | 87.5 | Confident | 73.7 | Confident | 42 Ų | 42 | 91.4 Ų | 91.4 | 26% | 0.258 | 46% | 0.457 | S | S | . | . | trans | -107.8 | 119 | 171.9 | -58 | 0 | 0 | 0 | 0 | 108.2 | I77 I255 R256 | T75-I77 HydrophobicContact CG2-CG1 4.12Å; T75-I77 PolarHBondContact O-N 2.87Å; T75-I255 HydrophobicContact CG2-CG2 4.06Å; T75-R256 HydrophobicContact CG2-CG 3.91Å | ||
| 76 | E | 89.8 | Confident | 70.9 | Confident | 51 Ų | 51 | 95.8 Ų | 95.8 | 24% | 0.238 | 49% | 0.487 | C | S | . | . | trans | -72.1 | 119.4 | 172.9 | -171.4 | 176.7 | -177.7 | 0 | 0 | 109 | R65 S259 R266 | R65-E76 WeakPolarHBondContact CD-OE2 3.38Å; R65-E76 IonicContact CZ-OE1 3.88Å; R65-E76 IonicContact NE-OE1 3.6Å; R65-E76 PolarHBondContact NE-OE1 3.22Å; R65-E76 IonicContact NE-OE2 2.71Å; R65-E76 IonicContact NH2-OE1 2.87Å; E76-S259 PolarHBondContact N-OG 3.32Å; E76-S259 WeakPolarHBondContact O-CB 3.26Å; E76-S259 PolarHBondContact O-OG 2.96Å; E76-S259 VanDerWaalsContact O-OG 3.13Å; E76-R266 IonicContact OE1-CZ 2.92Å; E76-R266 IonicContact OE1-NH1 3.51Å; E76-R266 PolarHBondContact OE1-NH1 3.02Å; E76-R266 IonicContact OE1-NH2 2.83Å; E76-R266 IonicContact OE2-NH1 3.56Å; E76-R266 PolarHBondContact OE2-NH1 3.3Å | ||
| 77 | I | 86.4 | Confident | 67.9 | Low | 97 Ų | 97 | 101 Ų | 101 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | trans | -119.7 | 115.7 | 179.7 | -53.7 | -179.3 | 0 | 0 | 0 | 108.1 | T75 T79 I255 | T75-I77 HydrophobicContact CG2-CG1 4.12Å; T75-I77 PolarHBondContact O-N 2.87Å; I77-T79 PolarHBondContact O-N 2.71Å; I77-I255 HydrophobicContact CD1-CG2 3.8Å; I77-I255 HydrophobicContact CG1-CG2 3.62Å; I77-I255 HydrophobicContact CG2-CG2 4.34Å | ||
| 78 | E | 78.8 | Confident | 65.1 | Low | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | trans | -80.1 | 107.4 | 166.5 | -68.3 | 171.3 | 169.8 | 0 | 0 | 107.8 | R258 R266 | E78-R258 IonicContact OE2-CZ 3.33Å; E78-R258 IonicContact OE2-NH2 2.85Å; E78-R258 PolarHBondContact OE2-NH2 3.48Å; E78-R266 IonicContact OE1-NH2 2.65Å | ||
| 79 | T | 72.5 | Confident | 62.2 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.3 | 173.5 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | I77 Y81 | I77-T79 PolarHBondContact O-N 2.71Å; T79-Y81 PolarHBondContact O-N 2.97Å |
| 80 | P | 58.4 | Low | 59.6 | Low | 125 Ų | 125 | 110 Ų | 110 | 81% | 0.812 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 121.8 | 174.3 | 25 | -32.4 | 0 | 0 | 0 | 108.3 | L82 | P80-L82 PolarHBondContact O-N 3.03Š|
| 81 | Y | 56.3 | Low | 57 | Low | 140 Ų | 140 | 114.6 Ų | 114.6 | 55% | 0.549 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 127.7 | 168.8 | -65.5 | -78.7 | 0 | 0 | 0 | 107.3 | T79 F83 Y282 | T79-Y81 PolarHBondContact O-N 2.97Å; Y81-F83 PolarHBondContact O-N 2.94Å; Y81-Y282 HydrophobicContact CE2-CE1 4.13Å; Y81-Y282 PolarHBondContact OH-OH 2.84Å |
| 82 | L | 39.5 | Very low | 54.7 | Low | 181 Ų | 181 | 115.3 Ų | 115.3 | 95% | 0.948 | 61% | 0.613 | S | S | * | * | trans | -62 | 87.8 | 167.4 | -86.3 | 159.9 | 0 | 0 | 0 | 108.1 | P80 | P80-L82 PolarHBondContact O-N 3.03Š| ||
| 83 | F | 36.4 | Very low | 52.3 | Low | 150 Ų | 150 | 122.6 Ų | 122.6 | 66% | 0.658 | 65% | 0.646 | S | S | * | * | trans | -73.6 | 129.7 | 156.5 | -71.8 | -81 | 0 | 0 | 0 | 106.6 | Y81 I85 | Y81-F83 PolarHBondContact O-N 2.94Å; F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 3.1Å | ||
| 84 | K | 30.6 | Very low | 49.8 | Very low | 207 Ų | 207 | 129.6 Ų | 129.6 | 90% | 0.9 | 68% | 0.678 | S | S | * | * | trans | -57.9 | 104.1 | 162.2 | -90.3 | -176.7 | 175.3 | 179.5 | 0 | 106.3 | T86 | K84-T86 PolarHBondContact O-N 3.49Å; K84-T86 VanDerWaalsContact O-N 3.09Å | ||
| 85 | I | 37.5 | Very low | 47.1 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 80% | 0.795 | 70% | 0.695 | S | S | * | * | trans | -65.7 | 107.8 | 169.1 | -60.8 | 171.8 | 0 | 0 | 0 | 105.5 | F83 | F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 3.1Å | ||
| 86 | T | 33.2 | Very low | 44.3 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -70.2 | 129.6 | 162.8 | -26 | 0 | 0 | 0 | 0 | 106.3 | K84 G88 | K84-T86 PolarHBondContact O-N 3.49Å; K84-T86 VanDerWaalsContact O-N 3.09Å; T86-G88 PolarHBondContact O-N 2.76Å | ||
| 87 | P | 29 | Very low | 41.6 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -71.6 | 105.2 | -174.2 | 28.1 | -31.8 | 0 | 0 | 0 | 109.6 | ||
| 88 | G | 32.5 | Very low | 39 | Very low | 61 Ų | 61 | 139.1 Ų | 139.1 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | 179 | 118.8 | 172 | 0 | 0 | 0 | 0 | 0 | 108 | T86 | T86-G88 PolarHBondContact O-N 2.76Š| ||
| 89 | E | 30.9 | Very low | 37.1 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 87.8 | 63 | 173.3 | -50 | -173.3 | 167.2 | 0 | 0 | 116.8 | ||||
| 90 | I | 32.6 | Very low | 35.1 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -82.9 | 117.1 | 152.5 | -70.3 | 172.5 | 0 | 0 | 0 | 106.9 | ||||
| 91 | F | 32.1 | Very low | 34.1 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 86.2 | 6 | 144.3 | -87 | -109.7 | 0 | 0 | 0 | 124.9 | ||
| 92 | S | 32 | Very low | 33.2 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -110.5 | 0.7 | -171.3 | 61.1 | 0 | 0 | 0 | 0 | 119.8 | ||
| 93 | Q | 32.8 | Very low | 32.9 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -127.7 | 2.2 | -172.3 | -82 | -170.6 | -11.1 | 0 | 0 | 118.7 | G95 | Q93-G95 PolarHBondContact O-N 3.28Š|
| 94 | L | 30.5 | Very low | 33 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -93.4 | 82.5 | 171.6 | -72.4 | 168.2 | 0 | 0 | 0 | 110 | F96 | L94-F96 PolarHBondContact O-N 3.29Š| ||
| 95 | G | 29 | Very low | 33.2 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -54.4 | 115.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q93 G97 | Q93-G95 PolarHBondContact O-N 3.28Å; G95-G97 VanDerWaalsContact C-N 3.28Å; G95-G97 PolarHBondContact O-N 2.63Å | ||
| 96 | F | 30.3 | Very low | 33.3 | Very low | 212 Ų | 212 | 137.5 Ų | 137.5 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -66.6 | 86.3 | 171.4 | -76.4 | -87.4 | 0 | 0 | 0 | 109.9 | L94 | L94-F96 PolarHBondContact O-N 3.29Š| ||
| 97 | G | 32.3 | Very low | 33.5 | Very low | 64 Ų | 64 | 136.6 Ų | 136.6 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | -93.6 | 107.3 | 161 | 0 | 0 | 0 | 0 | 0 | 109.1 | G95 P99 | G95-G97 VanDerWaalsContact C-N 3.28Å; G95-G97 PolarHBondContact O-N 2.63Å; G97-P99 WeakPolarHBondContact O-CD 3.27Å | ||
| 98 | T | 31.1 | Very low | 33.8 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -60.8 | 134.9 | 171 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 99 | P | 39 | Very low | 34 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | trans | -114.9 | 123.4 | 148 | 29.1 | -14.7 | 0 | 0 | 0 | 109.6 | G97 L101 | G97-P99 WeakPolarHBondContact O-CD 3.27Å; P99-L101 PolarHBondContact O-N 3.38Å | ||
| 100 | N | 31.5 | Very low | 34.2 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -50.7 | 110.1 | 162.2 | -77 | -32.7 | 0 | 0 | 0 | 109.1 | ||||
| 101 | L | 36.8 | Very low | 34.1 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -108.9 | 114.1 | 165.9 | -74.1 | 172.5 | 0 | 0 | 0 | 108.2 | P99 | P99-L101 PolarHBondContact O-N 3.38Š| ||
| 102 | T | 37 | Very low | 34.2 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -64.9 | 136.9 | 178.9 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | S104 | T102-S104 PolarHBondContact O-N 2.9Å; T102-S104 VanDerWaalsContact O-N 3.11Å | ||
| 103 | L | 34.1 | Very low | 34.3 | Very low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -72.6 | 92.5 | 178.8 | -73.6 | 156.8 | 0 | 0 | 0 | 110.2 | L106 | L103-L106 HydrophobicContact CD2-CD1 3.79Š|
| 104 | S | 37.1 | Very low | 34.6 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | trans | -136.8 | 4.5 | 171.8 | 63.9 | 0 | 0 | 0 | 0 | 116.2 | T102 | T102-S104 PolarHBondContact O-N 2.9Å; T102-S104 VanDerWaalsContact O-N 3.11Å | ||
| 105 | F | 36.2 | Very low | 34.8 | Very low | 186 Ų | 186 | 125 Ų | 125 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -109.1 | 9.5 | 180 | -110.3 | -91.3 | 0 | 0 | 0 | 116 | S107 | F105-S107 PolarHBondContact O-N 3.4Š| ||
| 106 | L | 39.1 | Very low | 35.7 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 4.5 | 179.3 | -79.7 | 165.9 | 0 | 0 | 0 | 114.7 | L103 | L103-L106 HydrophobicContact CD2-CD1 3.79Š|
| 107 | S | 37.7 | Very low | 36.7 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -0.7 | -173.9 | 57.6 | 0 | 0 | 0 | 0 | 115.9 | F105 | F105-S107 PolarHBondContact O-N 3.4Š|
| 108 | L | 34.6 | Very low | 37.6 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | trans | -121.4 | 60.3 | 173.7 | -88 | 96.4 | 0 | 0 | 0 | 112.3 | P110 | L108-P110 WeakPolarHBondContact O-CD 3.32Š| ||
| 109 | I | 38.1 | Very low | 38.5 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 66% | 0.662 | 68% | 0.676 | S | S | * | * | trans | -97.6 | 106.8 | 157.7 | -56.9 | 176.9 | 0 | 0 | 0 | 106.4 | K111 | I109-K111 PolarHBondContact O-N 3.33Å; I109-K111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | P | 33.5 | Very low | 39.2 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | trans | -62.1 | 123.4 | 171.5 | 26 | -30.1 | 0 | 0 | 0 | 107.6 | L108 A112 | L108-P110 WeakPolarHBondContact O-CD 3.32Å; P110-A112 PolarHBondContact O-N 2.96Å | ||
| 111 | K | 30.9 | Very low | 40.8 | Very low | 209 Ų | 209 | 119.9 Ų | 119.9 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | trans | -67.6 | 80.2 | 164.8 | -71.1 | -179.2 | 179.7 | 176.5 | 0 | 107.1 | I109 S113 | I109-K111 PolarHBondContact O-N 3.33Å; I109-K111 VanDerWaalsContact O-N 3.16Å; K111-S113 PolarHBondContact O-N 3.29Å; K111-S113 VanDerWaalsContact O-N 3.15Å | ||
| 112 | A | 33.9 | Very low | 42.6 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 60% | 0.603 | 66% | 0.663 | S | S | * | * | trans | -70.7 | 108.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | P110 V114 | P110-A112 PolarHBondContact O-N 2.96Å; A112-V114 HydrophobicContact CB-CG2 3.89Å; A112-V114 PolarHBondContact O-N 3.03Å; A112-V114 VanDerWaalsContact O-N 3.11Å | ||
| 113 | S | 34.5 | Very low | 44.8 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 83% | 0.825 | 63% | 0.632 | S | S | * | * | trans | -70.6 | 94 | 161.1 | 57 | 0 | 0 | 0 | 0 | 107.6 | K111 | K111-S113 PolarHBondContact O-N 3.29Å; K111-S113 VanDerWaalsContact O-N 3.15Å | ||
| 114 | V | 38.8 | Very low | 47.3 | Very low | 53 Ų | 53 | 111.9 Ų | 111.9 | 32% | 0.321 | 61% | 0.605 | S | S | . | * | trans | -97.1 | 98.9 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | A112 | A112-V114 HydrophobicContact CB-CG2 3.89Å; A112-V114 PolarHBondContact O-N 3.03Å; A112-V114 VanDerWaalsContact O-N 3.11Å | ||
| 115 | S | 35.5 | Very low | 49.8 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | trans | -115.7 | 97 | 162.2 | 56.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 116 | R | 47.6 | Very low | 52.3 | Low | 215 Ų | 215 | 100.9 Ų | 100.9 | 81% | 0.811 | 55% | 0.547 | S | S | * | . | trans | 176.6 | 114.4 | 152.9 | -95.9 | 162 | -143.8 | -154.6 | 6.3 | 107.7 | ||||
| 117 | L | 51.6 | Low | 54.9 | Low | 50 Ų | 50 | 94.7 Ų | 94.7 | 26% | 0.262 | 51% | 0.514 | S | S | . | . | trans | -73.5 | 160.7 | -170.9 | -68.5 | 115.2 | 0 | 0 | 0 | 113.1 | A119 K123 S124 | L117-A119 PolarHBondContact O-N 3.33Å; L117-A119 VanDerWaalsContact O-N 3.15Å; L117-K123 HydrophobicContact CD2-CG 4.46Å; L117-S124 WeakPolarHBondContact CD1-O 3.48Å | ||
| 118 | P | 51.2 | Low | 57.4 | Low | 17 Ų | 17 | 91.1 Ų | 91.1 | 11% | 0.11 | 49% | 0.494 | C | S | . | . | trans | -56.9 | 118.8 | 163.2 | 27 | -37 | 0 | 0 | 0 | 109.8 | F74 F120 V121 | F74-P118 HydrophobicContact CE2-CB 3.65Å; F74-P118 HydrophobicContact CZ-CB 3.5Å; F74-P118 HydrophobicContact CZ-CG 4.39Å; P118-F120 PolarHBondContact O-N 2.98Å; P118-V121 HydrophobicContact CB-CG2 4.24Å; P118-V121 HydrophobicContact CG-CG2 3.78Å | ||
| 119 | A | 49.9 | Very low | 60 | Low | 94 Ų | 94 | 87.1 Ų | 87.1 | 78% | 0.777 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 6.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L117 | L117-A119 PolarHBondContact O-N 3.33Å; L117-A119 VanDerWaalsContact O-N 3.15Å |
| 120 | F | 53.1 | Low | 62.6 | Low | 195 Ų | 195 | 81.2 Ų | 81.2 | 86% | 0.855 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | 23.2 | -167.4 | -66.6 | -76.5 | 0 | 0 | 0 | 113.9 | P118 | P118-F120 PolarHBondContact O-N 2.98Š|
| 121 | V | 65.6 | Low | 65.5 | Low | 70 Ų | 70 | 78.1 Ų | 78.1 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -131.8 | 141.2 | -172.8 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | P118 K123 | P118-V121 HydrophobicContact CB-CG2 4.24Å; P118-V121 HydrophobicContact CG-CG2 3.78Å; V121-K123 HydrophobicContact CB-CG 4.14Å; V121-K123 HydrophobicContact CG1-CB 4.19Å; V121-K123 HydrophobicContact CG1-CD 3.95Å; V121-K123 HydrophobicContact CG1-CG 3.61Å; V121-K123 PolarHBondContact O-N 3.42Å |
| 122 | Y | 74.5 | Confident | 68.5 | Low | 206 Ų | 206 | 71.5 Ų | 71.5 | 81% | 0.808 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -59.8 | 8.6 | 171.5 | -58.1 | -81 | 0 | 0 | 0 | 114.9 | T140 | Y122-T140 VanDerWaalsContact O-CG2 3.25Å; Y122-T140 WeakPolarHBondContact O-CG2 3.5Å |
| 123 | K | 84.1 | Confident | 71.5 | Confident | 32 Ų | 32 | 76.2 Ų | 76.2 | 14% | 0.139 | 41% | 0.408 | C | S | . | . | trans | -118.3 | 137.3 | -174.9 | 79 | -173.8 | -175.9 | 171.6 | 0 | 110.7 | L117 V121 T140 C142 D159 D160 | L117-K123 HydrophobicContact CD2-CG 4.46Å; V121-K123 HydrophobicContact CB-CG 4.14Å; V121-K123 HydrophobicContact CG1-CB 4.19Å; V121-K123 HydrophobicContact CG1-CD 3.95Å; V121-K123 HydrophobicContact CG1-CG 3.61Å; V121-K123 PolarHBondContact O-N 3.42Å; K123-T140 CarbonylContact C-O 3.48Å; K123-C142 HydrophobicContact CB-CB 4.29Å; K123-D159 IonicContact NZ-OD2 3.75Å; K123-D160 IonicContact NZ-OD1 3.57Å | ||
| 124 | S | 86.5 | Confident | 74.4 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -81.1 | -23.7 | 175.2 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | L117 V139 T140 | L117-S124 WeakPolarHBondContact CD1-O 3.48Å; S124-V139 WeakPolarHBondContact OG-CA 3.31Å; S124-V139 WeakPolarHBondContact OG-CB 3.25Å; S124-T140 PolarHBondContact N-O 2.93Å; S124-T140 PolarHBondContact OG-N 3.29Å; S124-T140 PolarHBondContact OG-O 3.27Å |
| 125 | H | 89.3 | Confident | 77.1 | Confident | 45 Ų | 45 | 73 Ų | 73 | 21% | 0.208 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -152.9 | 154.4 | -176.3 | -67.3 | 85 | 0 | 0 | 0 | 109.2 | L130 H134 V139 T140 | H125-L130 HydrophobicContact CB-CD1 4.47Å; H125-L130 HydrophobicContact CB-CD2 3.84Å; H125-L130 HydrophobicContact CB-CG 4.1Å; H125-H134 AromaticContact NE2-CD2 3.79Å; H125-H134 AromaticContact NE2-NE2 3.98Å; H125-V139 WeakPolarHBondContact ND1-CG1 3.4Å; H125-T140 PolarHBondContact N-O 3.31Å |
| 126 | A | 89.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | trans | -79.5 | 150.4 | 163 | 0 | 0 | 0 | 0 | 0 | 110.4 | G128 E129 D159 R161 | A126-G128 VanDerWaalsContact C-N 3.29Å; A126-G128 PolarHBondContact O-N 2.91Å; A126-E129 HydrophobicContact CB-CB 4.35Å; A126-E129 HydrophobicContact CB-CG 3.92Å; A126-E129 WeakPolarHBondContact CB-OE2 3.34Å; A126-E129 PolarHBondContact N-OE2 3.23Å; A126-E129 PolarHBondContact O-N 3.13Å; A126-E129 VanDerWaalsContact O-N 3.15Å; A126-D159 VanDerWaalsContact CA-OD2 3.32Å; A126-D159 WeakPolarHBondContact CA-OD2 3.46Å; A126-D159 WeakPolarHBondContact CB-OD2 3.48Å; A126-R161 HydrophobicContact CB-CB 3.97Å; A126-R161 HydrophobicContact CB-CG 3.98Å | ||
| 127 | C | 92.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -59.4 | -42 | -176.3 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | E129 D159 I164 T204 | C127-E129 VanDerWaalsContact C-N 3.33Å; C127-E129 PolarHBondContact O-N 3.45Å; C127-D159 HydrophobicContact CB-CB 4.28Å; C127-D159 WeakPolarHBondContact CB-OD1 3.4Å; C127-D159 PolarHBondContact N-OD2 3.33Å; C127-I164 HydrophobicContact CB-CB 4.3Å; C127-I164 HydrophobicContact CB-CG2 3.85Å; C127-T204 WeakPolarHBondContact O-CG2 3.29Å |
| 128 | G | 89.6 | Confident | 84.4 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -77.6 | -7.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | A126 | A126-G128 VanDerWaalsContact C-N 3.29Å; A126-G128 PolarHBondContact O-N 2.91Å |
| 129 | E | 89.6 | Confident | 86.5 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 24% | 0.243 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -89.7 | -18.6 | -178.8 | -73.5 | 172.1 | 172.2 | 0 | 0 | 113.2 | A126 C127 R161 | A126-E129 HydrophobicContact CB-CB 4.35Å; A126-E129 HydrophobicContact CB-CG 3.92Å; A126-E129 WeakPolarHBondContact CB-OE2 3.34Å; A126-E129 PolarHBondContact N-OE2 3.23Å; A126-E129 PolarHBondContact O-N 3.13Å; A126-E129 VanDerWaalsContact O-N 3.15Å; C127-E129 VanDerWaalsContact C-N 3.33Å; C127-E129 PolarHBondContact O-N 3.45Å; E129-R161 VanDerWaalsContact OE1-CD 3.29Å; E129-R161 WeakPolarHBondContact OE1-CD 3.36Å; E129-R161 IonicContact OE1-CZ 3.93Å; E129-R161 IonicContact OE1-NE 3.81Å; E129-R161 IonicContact OE1-NH1 3.51Å; E129-R161 PolarHBondContact OE1-NH1 2.6Å; E129-R161 IonicContact OE2-NH1 2.8Å |
| 130 | L | 93.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | trans | -70.6 | 139 | -178 | -68.1 | 168.8 | 0 | 0 | 0 | 110.9 | H125 H134 V139 V141 I164 V190 I207 I209 | H125-L130 HydrophobicContact CB-CD1 4.47Å; H125-L130 HydrophobicContact CB-CD2 3.84Å; H125-L130 HydrophobicContact CB-CG 4.1Å; L130-H134 HydrophobicContact CD2-CB 3.99Å; L130-V139 HydrophobicContact CD1-CG2 4.21Å; L130-V139 HydrophobicContact CD2-CG1 4.11Å; L130-V141 HydrophobicContact CD1-CG1 3.89Å; L130-I164 HydrophobicContact CB-CD1 3.86Å; L130-I164 HydrophobicContact CD1-CD1 3.4Å; L130-I164 VanDerWaalsContact CD1-CD1 3.4Å; L130-I164 HydrophobicContact CG-CD1 4.27Å; L130-V190 HydrophobicContact CD2-CG2 4.41Å; L130-I207 HydrophobicContact CB-CD1 3.69Å; L130-I209 HydrophobicContact CD1-CD1 3.85Å | ||
| 131 | S | 94.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -144.2 | 176.5 | -175.9 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | Q133 H134 | S131-Q133 PolarHBondContact O-N 3.35Å; S131-Q133 PolarHBondContact OG-N 3.32Å; S131-H134 PolarHBondContact N-ND1 3.16Å; S131-H134 VanDerWaalsContact N-ND1 3.16Å; S131-H134 WeakPolarHBondContact O-CB 3.17Å; S131-H134 PolarHBondContact O-N 3.28Å; S131-H134 PolarHBondContact O-ND1 2.85Å; S131-H134 PolarHBondContact OG-ND1 3.15Å; S131-H134 VanDerWaalsContact OG-ND1 3.17Å | ||
| 132 | T | 94.5 | Very high | 92 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -56.4 | -21.6 | 175.6 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | H134 I135 E206 I207 | T132-H134 PolarHBondContact O-N 2.9Å; T132-I135 HydrophobicContact CG2-CD1 4.36Å; T132-I135 VanDerWaalsContact O-CD1 3.28Å; T132-I135 WeakPolarHBondContact O-CD1 3.41Å; T132-I135 WeakPolarHBondContact O-CG1 3.38Å; T132-I135 PolarHBondContact O-N 2.71Å; T132-E206 HydrophobicContact CG2-CB 4.1Å; T132-E206 VanDerWaalsContact CG2-OE2 3.26Å; T132-E206 WeakPolarHBondContact CG2-OE2 3.19Å; T132-I207 HydrophobicContact CG2-CG2 4.06Å |
| 133 | Q | 95.5 | Very high | 92.9 | Very high | 172 Ų | 172 | 42.2 Ų | 42.2 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -65.8 | -19.7 | 174.7 | -61.9 | 176 | -6.4 | 0 | 0 | 113.3 | S131 | S131-Q133 PolarHBondContact O-N 3.35Å; S131-Q133 PolarHBondContact OG-N 3.32Å |
| 134 | H | 95.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 44 Ų | 44 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -96.5 | 3.3 | -177 | -56.1 | 86.7 | 0 | 0 | 0 | 112.4 | H125 L130 S131 T132 N136 S137 V190 | H125-H134 AromaticContact NE2-CD2 3.79Å; H125-H134 AromaticContact NE2-NE2 3.98Å; L130-H134 HydrophobicContact CD2-CB 3.99Å; S131-H134 PolarHBondContact N-ND1 3.16Å; S131-H134 VanDerWaalsContact N-ND1 3.16Å; S131-H134 WeakPolarHBondContact O-CB 3.17Å; S131-H134 PolarHBondContact O-N 3.28Å; S131-H134 PolarHBondContact O-ND1 2.85Å; S131-H134 PolarHBondContact OG-ND1 3.15Å; S131-H134 VanDerWaalsContact OG-ND1 3.17Å; T132-H134 PolarHBondContact O-N 2.9Å; H134-N136 PolarHBondContact O-N 3.04Å; H134-S137 VanDerWaalsContact O-CB 3.31Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 2.82Å; H134-S137 PolarHBondContact O-OG 2.75Å; H134-V190 HydrophobicContact CB-CG1 4.44Å; H134-V190 HydrophobicContact CB-CG2 4.41Å; H134-V190 VanDerWaalsContact O-CB 3.27Å; H134-V190 WeakPolarHBondContact O-CB 3.33Å |
| 135 | I | 95.9 | Very high | 93.7 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 138.1 | 178.6 | -68.1 | 166.3 | 0 | 0 | 0 | 109.8 | T132 S137 A192 I207 | T132-I135 HydrophobicContact CG2-CD1 4.36Å; T132-I135 VanDerWaalsContact O-CD1 3.28Å; T132-I135 WeakPolarHBondContact O-CD1 3.41Å; T132-I135 WeakPolarHBondContact O-CG1 3.38Å; T132-I135 PolarHBondContact O-N 2.71Å; I135-S137 PolarHBondContact O-N 2.94Å; I135-A192 HydrophobicContact CD1-CB 4.03Å; I135-I207 HydrophobicContact CD1-CG2 4.48Å; I135-I207 HydrophobicContact CG1-CG2 4.21Å |
| 136 | N | 95.1 | Very high | 93.6 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 57% | 0.572 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | -1.4 | -173.7 | -62.1 | -52.9 | 0 | 0 | 0 | 116.9 | H134 K189 V190 | H134-N136 PolarHBondContact O-N 3.04Å; N136-K189 WeakPolarHBondContact O-CE 3.5Å; N136-K189 VanDerWaalsContact OD1-CE 3.26Å; N136-K189 WeakPolarHBondContact OD1-CE 3.24Å; N136-K189 PolarHBondContact OD1-NZ 2.96Å; N136-V190 PolarHBondContact N-O 3.38Å |
| 137 | S | 96.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | trans | -78.7 | 142.6 | 171.4 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | H134 I135 V139 K189 V190 | H134-S137 VanDerWaalsContact O-CB 3.31Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 2.82Å; H134-S137 PolarHBondContact O-OG 2.75Å; I135-S137 PolarHBondContact O-N 2.94Å; S137-V139 WeakPolarHBondContact OG-CG1 3.13Å; S137-K189 WeakPolarHBondContact O-CA 3.06Å; S137-V190 PolarHBondContact O-N 2.96Å | ||
| 138 | T | 96.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 49.3 Ų | 49.3 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 125.6 | 168.2 | -57.7 | 0 | 0 | 0 | 0 | 108.5 | T187 G188 | T138-T187 HydrophobicContact CG2-CG2 4.12Å; T138-G188 CarbonylContact C-O 3.57Å; T138-G188 WeakPolarHBondContact CA-O 3.5Å |
| 139 | V | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.9 | -176.2 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | S124 H125 L130 S137 V141 T187 G188 V190 I209 | S124-V139 WeakPolarHBondContact OG-CA 3.31Å; S124-V139 WeakPolarHBondContact OG-CB 3.25Å; H125-V139 WeakPolarHBondContact ND1-CG1 3.4Å; L130-V139 HydrophobicContact CD1-CG2 4.21Å; L130-V139 HydrophobicContact CD2-CG1 4.11Å; S137-V139 WeakPolarHBondContact OG-CG1 3.13Å; V139-V141 HydrophobicContact CG2-CG1 4.47Å; V139-T187 WeakPolarHBondContact O-CA 3.48Å; V139-G188 PolarHBondContact N-O 3.43Å; V139-G188 PolarHBondContact O-N 3.25Å; V139-V190 HydrophobicContact CB-CG2 4.4Å; V139-V190 HydrophobicContact CG1-CG2 3.87Å; V139-V190 HydrophobicContact CG2-CG2 3.59Å; V139-I209 HydrophobicContact CG2-CD1 3.7Å; V139-I209 HydrophobicContact CG2-CG1 4.03Å |
| 140 | T | 95 | Very high | 92.7 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.5 | 165.1 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | Y122 K123 S124 H125 I185 V186 T187 | Y122-T140 VanDerWaalsContact O-CG2 3.25Å; Y122-T140 WeakPolarHBondContact O-CG2 3.5Å; K123-T140 CarbonylContact C-O 3.48Å; S124-T140 PolarHBondContact N-O 2.93Å; S124-T140 PolarHBondContact OG-N 3.29Å; S124-T140 PolarHBondContact OG-O 3.27Å; H125-T140 PolarHBondContact N-O 3.31Å; T140-I185 HydrophobicContact CG2-CG2 3.68Å; T140-V186 CarbonylContact C-O 3.55Å; T140-V186 VanDerWaalsContact CA-O 3.31Å; T140-V186 WeakPolarHBondContact CA-O 3.44Å; T140-T187 WeakPolarHBondContact CG2-OG1 3.26Å; T140-T187 PolarHBondContact OG1-OG1 2.86Å |
| 141 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.7 | 176.1 | -66.7 | 0 | 0 | 0 | 0 | 109.9 | L130 V139 L157 I166 V186 I209 | L130-V141 HydrophobicContact CD1-CG1 3.89Å; V139-V141 HydrophobicContact CG2-CG1 4.47Å; V141-L157 HydrophobicContact CB-CD2 4.27Å; V141-L157 HydrophobicContact CG2-CD2 3.66Å; V141-I166 HydrophobicContact CG2-CD1 4.18Å; V141-V186 HydrophobicContact CG2-CB 4.07Å; V141-V186 PolarHBondContact N-O 3.02Å; V141-V186 PolarHBondContact O-N 2.83Å; V141-I209 HydrophobicContact CB-CD1 4.5Å; V141-I209 HydrophobicContact CG1-CD1 3.94Å; V141-I209 HydrophobicContact CG2-CD1 3.7Å |
| 142 | C | 94.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 22% | 0.223 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136 | 179.8 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | K123 L184 I185 | K123-C142 HydrophobicContact CB-CB 4.29Å; C142-L184 WeakPolarHBondContact CA-O 3.37Å; C142-I185 HydrophobicContact CB-CG1 4.2Å |
| 143 | G | 94 | Very high | 90.9 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -166 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | R158 L184 | G143-R158 CarbonylContact C-O 3.59Å; G143-R158 WeakPolarHBondContact CA-O 3.24Å; G143-L184 PolarHBondContact N-O 2.92Å; G143-L184 PolarHBondContact O-N 2.96Å |
| 144 | W | 94.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 27% | 0.265 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.6 | 178.3 | -61.2 | -80.7 | 0 | 0 | 0 | 110.3 | G146 R158 E181 | W144-G146 PolarHBondContact O-N 2.81Å; W144-R158 PolarHBondContact N-O 3.32Å; W144-R158 PolarHBondContact O-N 3.46Å; W144-E181 VanDerWaalsContact CD1-O 3.26Å |
| 145 | P | 93.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.4 | 175.5 | 28.5 | -28.2 | 0 | 0 | 0 | 109 | F178 S182 L184 | P145-F178 HydrophobicContact CB-CD2 4.06Å; P145-F178 HydrophobicContact CB-CE2 3.45Å; P145-F178 VanDerWaalsContact CB-CE2 3.45Å; P145-F178 HydrophobicContact CB-CZ 3.8Å; P145-F178 HydrophobicContact CG-CD2 3.54Å; P145-F178 HydrophobicContact CG-CE2 3.48Å; P145-F178 VanDerWaalsContact CG-CE2 3.48Å; P145-F178 HydrophobicContact CG-CG 4.31Å; P145-F178 HydrophobicContact CG-CZ 4.2Å; P145-S182 WeakPolarHBondContact CD-O 3.26Å; P145-L184 HydrophobicContact CB-CD1 3.72Å; P145-L184 HydrophobicContact CB-CG 4.45Å; P145-L184 HydrophobicContact CG-CD1 3.83Å; P145-L184 HydrophobicContact CG-CG 4.06Å |
| 146 | G | 86.9 | Confident | 90.6 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 42% | 0.423 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -118.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | W144 C148 V156 | W144-G146 PolarHBondContact O-N 2.81Å; G146-C148 PolarHBondContact O-N 2.82Å; G146-V156 PolarHBondContact N-O 3.11Å |
| 147 | H | 85.7 | Confident | 90.6 | Very high | 113 Ų | 113 | 47.8 Ų | 47.8 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121.8 | 179.8 | -172.2 | 26.2 | 0 | 0 | 0 | 110.7 | R149 V156 | H147-R149 PolarHBondContact NE2-NE 2.87Å; H147-V156 PolarHBondContact O-N 2.79Å |
| 148 | C | 88.3 | Confident | 90.5 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.4 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | G146 L155 F178 | G146-C148 PolarHBondContact O-N 2.82Å; C148-L155 HydrophobicContact CB-CB 4.21Å; C148-F178 HydrophobicContact CB-CZ 4.08Å |
| 149 | R | 87.2 | Confident | 90.2 | Very high | 140 Ų | 140 | 45.2 Ų | 45.2 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 96.8 | 173.7 | -64.5 | -180 | -178.4 | 174.9 | -1.1 | 108 | H147 S151 S152 R153 F154 | H147-R149 PolarHBondContact NE2-NE 2.87Å; R149-S151 VanDerWaalsContact C-N 3.32Å; R149-S151 PolarHBondContact O-N 2.96Å; R149-S152 VanDerWaalsContact CB-OG 3.28Å; R149-S152 WeakPolarHBondContact CB-OG 3.43Å; R149-S152 PolarHBondContact O-N 3.18Å; R149-R153 WeakPolarHBondContact O-CA 3.4Å; R149-R153 PolarHBondContact O-N 3.42Å; R149-F154 PolarHBondContact N-O 3.37Å; R149-F154 PolarHBondContact O-N 3.47Å |
| 150 | L | 80.3 | Confident | 89.8 | Confident | 126 Ų | 126 | 47.8 Ų | 47.8 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -34.9 | -176.8 | -66.5 | 173.4 | 0 | 0 | 0 | 112.8 | S152 R153 I175 | L150-S152 PolarHBondContact O-N 2.83Å; L150-R153 WeakPolarHBondContact O-CG 3.44Å; L150-R153 PolarHBondContact O-N 3.21Å; L150-I175 HydrophobicContact CD2-CG2 4.37Å |
| 151 | S | 80.3 | Confident | 89.3 | Confident | 110 Ų | 110 | 49.8 Ų | 49.8 | 77% | 0.769 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -43.7 | -180 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | R149 | R149-S151 VanDerWaalsContact C-N 3.32Å; R149-S151 PolarHBondContact O-N 2.96Å |
| 152 | S | 77.5 | Confident | 89.1 | Confident | 44 Ų | 44 | 51 Ų | 51 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.4 | -180 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | R149 L150 F154 | R149-S152 VanDerWaalsContact CB-OG 3.28Å; R149-S152 WeakPolarHBondContact CB-OG 3.43Å; R149-S152 PolarHBondContact O-N 3.18Å; L150-S152 PolarHBondContact O-N 2.83Å; S152-F154 VanDerWaalsContact C-N 3.29Å; S152-F154 WeakPolarHBondContact O-CD2 3.3Å; S152-F154 WeakPolarHBondContact O-CE2 3.24Å; S152-F154 PolarHBondContact O-N 3.15Å; S152-F154 WeakPolarHBondContact OG-CD2 3.27Å |
| 153 | R | 87 | Confident | 89.1 | Confident | 47 Ų | 47 | 51 Ų | 51 | 18% | 0.177 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 40.9 | 177 | -54.1 | 177.3 | 76.8 | 104.7 | -19.7 | 114.3 | R149 L150 C168 L173 Q174 I175 | R149-R153 WeakPolarHBondContact O-CA 3.4Å; R149-R153 PolarHBondContact O-N 3.42Å; L150-R153 WeakPolarHBondContact O-CG 3.44Å; L150-R153 PolarHBondContact O-N 3.21Å; R153-C168 HydrophobicContact CB-CB 4.37Å; R153-C168 WeakPolarHBondContact CB-O 3.2Å; R153-C168 WeakPolarHBondContact CD-O 3.38Å; R153-C168 PolarHBondContact NE-O 3.29Å; R153-C168 PolarHBondContact O-N 3.35Å; R153-L173 PolarHBondContact NH2-O 3.11Å; R153-Q174 VanDerWaalsContact NH2-CA 3.29Å; R153-I175 HydrophobicContact CB-CD1 3.98Å |
| 154 | F | 92.2 | Very high | 89.2 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.197 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.3 | 170.7 | -61.6 | -75.3 | 0 | 0 | 0 | 110.1 | R149 S152 Q165 I166 Y167 E208 | R149-F154 PolarHBondContact N-O 3.37Å; R149-F154 PolarHBondContact O-N 3.47Å; S152-F154 VanDerWaalsContact C-N 3.29Å; S152-F154 WeakPolarHBondContact O-CD2 3.3Å; S152-F154 WeakPolarHBondContact O-CE2 3.24Å; S152-F154 PolarHBondContact O-N 3.15Å; S152-F154 WeakPolarHBondContact OG-CD2 3.27Å; F154-Q165 HydrophobicContact CB-CG 4.42Å; F154-Q165 HydrophobicContact CD1-CG 3.87Å; F154-Q165 HydrophobicContact CG-CG 4.5Å; F154-I166 WeakPolarHBondContact CA-O 3.28Å; F154-Y167 AromaticContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CG 4.23Å; F154-Y167 AromaticContact CE1-CD2 3.14Å; F154-Y167 HydrophobicContact CE1-CD2 3.14Å; F154-Y167 AromaticContact CE1-CE2 3.96Å; F154-Y167 HydrophobicContact CE1-CE2 3.96Å; F154-Y167 AromaticContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE2-CD2 4.46Å; F154-Y167 HydrophobicContact CG-CD2 4.48Å; F154-Y167 AromaticContact CZ-CD2 3.61Å; F154-Y167 HydrophobicContact CZ-CD2 3.61Å; F154-Y167 AromaticContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CG 4.5Å; F154-E208 WeakPolarHBondContact CE1-OE2 3.36Å |
| 155 | L | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.8 | 163.2 | 66.6 | 87.6 | 0 | 0 | 0 | 109.3 | C148 L157 I166 I175 F178 L184 | C148-L155 HydrophobicContact CB-CB 4.21Å; L155-L157 HydrophobicContact CD1-CB 4.16Å; L155-L157 HydrophobicContact CD1-CD1 4.49Å; L155-I166 HydrophobicContact CD1-CB 3.72Å; L155-I166 HydrophobicContact CD1-CG1 3.6Å; L155-I166 HydrophobicContact CD1-CG2 4.45Å; L155-I166 HydrophobicContact CG-CB 3.87Å; L155-I166 HydrophobicContact CG-CG1 4.33Å; L155-I166 HydrophobicContact CG-CG2 4.4Å; L155-I166 PolarHBondContact N-O 3.13Å; L155-I166 PolarHBondContact O-N 3.21Å; L155-I175 HydrophobicContact CD2-CG2 4.21Å; L155-F178 HydrophobicContact CD2-CE1 4.16Å; L155-F178 HydrophobicContact CD2-CZ 4.33Å; L155-L184 HydrophobicContact CD1-CD1 4.42Å; L155-L184 HydrophobicContact CD2-CD1 4.35Å |
| 156 | V | 94.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.5 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | G146 H147 I164 M202 | G146-V156 PolarHBondContact N-O 3.11Å; H147-V156 PolarHBondContact O-N 2.79Å; V156-I164 CarbonylContact C-O 3.6Å; V156-I164 WeakPolarHBondContact CA-O 3.45Å; V156-M202 HydrophobicContact CG1-CE 4.28Å |
| 157 | L | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.8 | 172.9 | -164.9 | 70.4 | 0 | 0 | 0 | 108.8 | V141 L155 S163 I164 I166 L184 V186 | V141-L157 HydrophobicContact CB-CD2 4.27Å; V141-L157 HydrophobicContact CG2-CD2 3.66Å; L155-L157 HydrophobicContact CD1-CB 4.16Å; L155-L157 HydrophobicContact CD1-CD1 4.49Å; L157-S163 CarbonylContact O-C 3.48Å; L157-S163 WeakPolarHBondContact O-CA 3.38Å; L157-S163 WeakPolarHBondContact O-CB 3.35Å; L157-I164 HydrophobicContact CB-CG2 4.4Å; L157-I164 PolarHBondContact N-O 2.79Å; L157-I164 PolarHBondContact O-N 3.13Å; L157-I166 HydrophobicContact CB-CD1 4.4Å; L157-I166 HydrophobicContact CB-CG1 3.95Å; L157-L184 HydrophobicContact CD1-CB 3.91Å; L157-L184 HydrophobicContact CD1-CD1 4.2Å; L157-L184 HydrophobicContact CD1-CG 4.42Å; L157-V186 HydrophobicContact CD2-CG2 4.13Å |
| 158 | R | 93.9 | Very high | 90.3 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.2 | -178.6 | 177.4 | -179.2 | 66.9 | 134.3 | 1.3 | 109.8 | G143 W144 G162 E181 R247 | G143-R158 CarbonylContact C-O 3.59Å; G143-R158 WeakPolarHBondContact CA-O 3.24Å; W144-R158 PolarHBondContact N-O 3.32Å; W144-R158 PolarHBondContact O-N 3.46Å; R158-G162 CarbonylContact C-O 3.4Å; R158-G162 WeakPolarHBondContact CA-O 3.35Å; R158-E181 IonicContact CZ-OE1 3.3Å; R158-E181 IonicContact NH2-OE1 2.6Å; R158-E181 PolarHBondContact NH2-OE1 3.46Å; R158-E181 IonicContact NH2-OE2 3.85Å; R158-R247 PolarHBondContact NH1-O 3.35Å |
| 159 | D | 91.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | trans | -121.1 | -162.4 | 167.7 | 74.6 | -6.2 | 0 | 0 | 0 | 110.8 | K123 A126 C127 R161 G162 | K123-D159 IonicContact NZ-OD2 3.75Å; A126-D159 VanDerWaalsContact CA-OD2 3.32Å; A126-D159 WeakPolarHBondContact CA-OD2 3.46Å; A126-D159 WeakPolarHBondContact CB-OD2 3.48Å; C127-D159 HydrophobicContact CB-CB 4.28Å; C127-D159 WeakPolarHBondContact CB-OD1 3.4Å; C127-D159 PolarHBondContact N-OD2 3.33Å; D159-R161 PolarHBondContact OD1-N 3.05Å; D159-G162 PolarHBondContact N-O 2.99Å; D159-G162 PolarHBondContact OD1-N 2.93Å | ||
| 160 | D | 85.9 | Confident | 89.9 | Confident | 55 Ų | 55 | 45 Ų | 45 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -72 | -32.7 | -178.8 | 80.9 | -67.3 | 0 | 0 | 0 | 111.1 | K123 R256 | K123-D160 IonicContact NZ-OD1 3.57Å; D160-R256 PolarHBondContact O-NH1 3.5Å; D160-R256 PolarHBondContact O-NH2 3Å; D160-R256 IonicContact OD2-NH2 3.33Å; D160-R256 PolarHBondContact OD2-NH2 3.31Å; D160-R256 VanDerWaalsContact OD2-NH2 3.11Å |
| 161 | R | 85.6 | Confident | 90 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -90.5 | -19 | -177.4 | -60.6 | -153.3 | 176.8 | 119.4 | 4.9 | 114.6 | N72 G73 A126 E129 D159 | N72-R161 PolarHBondContact O-NH2 3.05Å; G73-R161 VanDerWaalsContact C-NH2 3.26Å; G73-R161 PolarHBondContact O-NH2 3.25Å; A126-R161 HydrophobicContact CB-CB 3.97Å; A126-R161 HydrophobicContact CB-CG 3.98Å; E129-R161 VanDerWaalsContact OE1-CD 3.29Å; E129-R161 WeakPolarHBondContact OE1-CD 3.36Å; E129-R161 IonicContact OE1-CZ 3.93Å; E129-R161 IonicContact OE1-NE 3.81Å; E129-R161 IonicContact OE1-NH1 3.51Å; E129-R161 PolarHBondContact OE1-NH1 2.6Å; E129-R161 IonicContact OE2-NH1 2.8Å; D159-R161 PolarHBondContact OD1-N 3.05Å |
| 162 | G | 90.4 | Very high | 90.1 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | trans | 169.4 | -152.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R158 D159 | R158-G162 CarbonylContact C-O 3.4Å; R158-G162 WeakPolarHBondContact CA-O 3.35Å; D159-G162 PolarHBondContact N-O 2.99Å; D159-G162 PolarHBondContact OD1-N 2.93Å | ||
| 163 | S | 94.5 | Very high | 90.5 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.4 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 110.7 | L157 T204 | L157-S163 CarbonylContact O-C 3.48Å; L157-S163 WeakPolarHBondContact O-CA 3.38Å; L157-S163 WeakPolarHBondContact O-CB 3.35Å; S163-T204 WeakPolarHBondContact O-CG2 3.29Å; S163-T204 PolarHBondContact O-OG1 3.37Å |
| 164 | I | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.7 | 177.6 | -168.2 | 158.6 | 0 | 0 | 0 | 110.4 | C127 L130 V156 L157 I166 I207 I209 | C127-I164 HydrophobicContact CB-CB 4.3Å; C127-I164 HydrophobicContact CB-CG2 3.85Å; L130-I164 HydrophobicContact CB-CD1 3.86Å; L130-I164 HydrophobicContact CD1-CD1 3.4Å; L130-I164 VanDerWaalsContact CD1-CD1 3.4Å; L130-I164 HydrophobicContact CG-CD1 4.27Å; V156-I164 CarbonylContact C-O 3.6Å; V156-I164 WeakPolarHBondContact CA-O 3.45Å; L157-I164 HydrophobicContact CB-CG2 4.4Å; L157-I164 PolarHBondContact N-O 2.79Å; L157-I164 PolarHBondContact O-N 3.13Å; I164-I166 HydrophobicContact CG2-CD1 4.08Å; I164-I207 HydrophobicContact CD1-CD1 4.08Å; I164-I207 HydrophobicContact CD1-CG1 4.49Å; I164-I209 HydrophobicContact CD1-CD1 3.78Å; I164-I209 HydrophobicContact CD1-CG1 3.86Å; I164-I209 HydrophobicContact CG1-CD1 4.37Å; I164-I209 HydrophobicContact CG1-CG1 4.45Å; I164-I209 HydrophobicContact CG2-CD1 4.17Å |
| 165 | Q | 96.3 | Very high | 90.2 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 132.6 | 174.2 | -179 | 165.3 | -62.9 | 0 | 0 | 109.9 | F154 E208 I209 | F154-Q165 HydrophobicContact CB-CG 4.42Å; F154-Q165 HydrophobicContact CD1-CG 3.87Å; F154-Q165 HydrophobicContact CG-CG 4.5Å; Q165-E208 HydrophobicContact CB-CB 4.09Å; Q165-E208 HydrophobicContact CG-CB 4.2Å; Q165-E208 PolarHBondContact NE2-OE2 3.42Å; Q165-E208 CarbonylContact O-C 3.59Å; Q165-E208 WeakPolarHBondContact O-CA 3.46Å; Q165-E208 WeakPolarHBondContact O-CB 3.33Å; Q165-I209 PolarHBondContact O-N 2.92Å |
| 166 | I | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.9 | 170.8 | -50.9 | -56.8 | 0 | 0 | 0 | 107.2 | V141 F154 L155 L157 I164 V186 I209 A211 | V141-I166 HydrophobicContact CG2-CD1 4.18Å; F154-I166 WeakPolarHBondContact CA-O 3.28Å; L155-I166 HydrophobicContact CD1-CB 3.72Å; L155-I166 HydrophobicContact CD1-CG1 3.6Å; L155-I166 HydrophobicContact CD1-CG2 4.45Å; L155-I166 HydrophobicContact CG-CB 3.87Å; L155-I166 HydrophobicContact CG-CG1 4.33Å; L155-I166 HydrophobicContact CG-CG2 4.4Å; L155-I166 PolarHBondContact N-O 3.13Å; L155-I166 PolarHBondContact O-N 3.21Å; L157-I166 HydrophobicContact CB-CD1 4.4Å; L157-I166 HydrophobicContact CB-CG1 3.95Å; I164-I166 HydrophobicContact CG2-CD1 4.08Å; I166-V186 HydrophobicContact CD1-CB 4.47Å; I166-V186 HydrophobicContact CD1-CG1 4.13Å; I166-V186 HydrophobicContact CG1-CG1 4.44Å; I166-V186 HydrophobicContact CG1-CG2 4.48Å; I166-V186 HydrophobicContact CG2-CG1 3.82Å; I166-I209 CarbonylContact C-O 3.59Å; I166-I209 WeakPolarHBondContact CA-O 3.46Å; I166-I209 HydrophobicContact CD1-CB 3.74Å; I166-I209 HydrophobicContact CD1-CD1 3.76Å; I166-I209 HydrophobicContact CD1-CG1 4.22Å; I166-I209 HydrophobicContact CD1-CG2 4.33Å; I166-A211 HydrophobicContact CG2-CB 3.71Å |
| 167 | Y | 95.2 | Very high | 89.7 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.9 | 173.4 | 175.6 | -119.5 | 0 | 0 | 0 | 109.6 | F154 D169 I209 V210 A211 | F154-Y167 AromaticContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CG 4.23Å; F154-Y167 AromaticContact CE1-CD2 3.14Å; F154-Y167 HydrophobicContact CE1-CD2 3.14Å; F154-Y167 AromaticContact CE1-CE2 3.96Å; F154-Y167 HydrophobicContact CE1-CE2 3.96Å; F154-Y167 AromaticContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE2-CD2 4.46Å; F154-Y167 HydrophobicContact CG-CD2 4.48Å; F154-Y167 AromaticContact CZ-CD2 3.61Å; F154-Y167 HydrophobicContact CZ-CD2 3.61Å; F154-Y167 AromaticContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CG 4.5Å; Y167-D169 HydrophobicContact CE1-CB 3.95Å; Y167-D169 PolarHBondContact OH-OD1 3.46Å; Y167-I209 PolarHBondContact N-O 3.21Å; Y167-V210 HydrophobicContact CD1-CG1 4.48Å; Y167-V210 HydrophobicContact CD1-CG2 4.34Å; Y167-V210 WeakPolarHBondContact O-CA 3.48Å; Y167-A211 PolarHBondContact O-N 2.94Å |
| 168 | C | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -113.7 | 103.3 | 177.4 | -61.4 | 0 | 0 | 0 | 0 | 109.4 | R153 I175 I214 | R153-C168 HydrophobicContact CB-CB 4.37Å; R153-C168 WeakPolarHBondContact CB-O 3.2Å; R153-C168 WeakPolarHBondContact CD-O 3.38Å; R153-C168 PolarHBondContact NE-O 3.29Å; R153-C168 PolarHBondContact O-N 3.35Å; C168-I175 HydrophobicContact CB-CD1 4.18Å; C168-I175 HydrophobicContact CB-CG1 3.62Å; C168-I214 VanDerWaalsContact SG-CD1 3.6Å | ||
| 169 | D | 88.1 | Confident | 89.3 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | trans | -63.3 | 143.8 | 179.5 | -176.3 | 33.8 | 0 | 0 | 0 | 111.3 | Y167 N171 S172 L173 | Y167-D169 HydrophobicContact CE1-CB 3.95Å; Y167-D169 PolarHBondContact OH-OD1 3.46Å; D169-N171 PolarHBondContact O-N 3.29Å; D169-S172 WeakPolarHBondContact CB-OG 3.34Å; D169-S172 PolarHBondContact O-N 3Å; D169-L173 PolarHBondContact O-N 3.31Å; D169-L173 VanDerWaalsContact O-N 3.14Å | ||
| 170 | K | 80.2 | Confident | 89.2 | Confident | 143 Ų | 143 | 63.4 Ų | 63.4 | 62% | 0.622 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -34.8 | -175 | -77.6 | -179.9 | -179.4 | -179.8 | 0 | 112.3 | ||
| 171 | N | 82.2 | Confident | 89.5 | Confident | 152 Ų | 152 | 61.4 Ų | 61.4 | 81% | 0.813 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -29.1 | -173.4 | -62.5 | -23.9 | 0 | 0 | 0 | 112.5 | D169 | D169-N171 PolarHBondContact O-N 3.29Š|
| 172 | S | 82.1 | Confident | 89.9 | Confident | 74 Ų | 74 | 58 Ų | 58 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -43.1 | -174.2 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | D169 | D169-S172 WeakPolarHBondContact CB-OG 3.34Å; D169-S172 PolarHBondContact O-N 3Å |
| 173 | L | 86.5 | Confident | 90.1 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | trans | -150.5 | 128 | -169 | -166.6 | 68.2 | 0 | 0 | 0 | 112.9 | R153 D169 A211 I214 | R153-L173 PolarHBondContact NH2-O 3.11Å; D169-L173 PolarHBondContact O-N 3.31Å; D169-L173 VanDerWaalsContact O-N 3.14Å; L173-A211 HydrophobicContact CD2-CB 3.67Å; L173-I214 HydrophobicContact CD2-CB 4.43Å; L173-I214 HydrophobicContact CD2-CD1 3.77Å; L173-I214 HydrophobicContact CD2-CG1 3.74Å | ||
| 174 | Q | 85.9 | Confident | 90.1 | Very high | 154 Ų | 154 | 56.9 Ų | 56.9 | 72% | 0.72 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -83 | 136 | 169.5 | -62.8 | -171 | 1.4 | 0 | 0 | 111.2 | R153 P176 | R153-Q174 VanDerWaalsContact NH2-CA 3.29Å; Q174-P176 VanDerWaalsContact O-CD 3.27Å; Q174-P176 WeakPolarHBondContact O-CD 3.49Å |
| 175 | I | 87.4 | Confident | 90 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 117.3 | 172 | -63 | 177.7 | 0 | 0 | 0 | 107.1 | L150 R153 L155 C168 F178 | L150-I175 HydrophobicContact CD2-CG2 4.37Å; R153-I175 HydrophobicContact CB-CD1 3.98Å; L155-I175 HydrophobicContact CD2-CG2 4.21Å; C168-I175 HydrophobicContact CB-CD1 4.18Å; C168-I175 HydrophobicContact CB-CG1 3.62Å; I175-F178 HydrophobicContact CG2-CE1 3.79Å |
| 176 | P | 88.3 | Confident | 89.9 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 154.9 | 178.3 | 29.3 | -35 | 0 | 0 | 0 | 110.5 | Q174 F178 I214 I216 | Q174-P176 VanDerWaalsContact O-CD 3.27Å; Q174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-F178 WeakPolarHBondContact O-CD1 3.42Å; P176-F178 PolarHBondContact O-N 3.38Å; P176-I214 HydrophobicContact CG-CB 4.22Å; P176-I214 HydrophobicContact CG-CG2 3.67Å; P176-I216 HydrophobicContact CB-CD1 3.8Å; P176-I216 HydrophobicContact CG-CD1 3.81Å; P176-I216 HydrophobicContact CG-CG1 4.26Å |
| 177 | Q | 89 | Confident | 89.9 | Confident | 185 Ų | 185 | 58.1 Ų | 58.1 | 86% | 0.864 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 129.3 | 173.8 | -66.5 | -177.3 | -3 | 0 | 0 | 110 | ||
| 178 | F | 90.4 | Very high | 90 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | -143 | 152.5 | 177.2 | 54.3 | -102.1 | 0 | 0 | 0 | 111.3 | P145 C148 L155 I175 P176 L184 I216 | P145-F178 HydrophobicContact CB-CD2 4.06Å; P145-F178 HydrophobicContact CB-CE2 3.45Å; P145-F178 VanDerWaalsContact CB-CE2 3.45Å; P145-F178 HydrophobicContact CB-CZ 3.8Å; P145-F178 HydrophobicContact CG-CD2 3.54Å; P145-F178 HydrophobicContact CG-CE2 3.48Å; P145-F178 VanDerWaalsContact CG-CE2 3.48Å; P145-F178 HydrophobicContact CG-CG 4.31Å; P145-F178 HydrophobicContact CG-CZ 4.2Å; C148-F178 HydrophobicContact CB-CZ 4.08Å; L155-F178 HydrophobicContact CD2-CE1 4.16Å; L155-F178 HydrophobicContact CD2-CZ 4.33Å; I175-F178 HydrophobicContact CG2-CE1 3.79Å; P176-F178 WeakPolarHBondContact O-CD1 3.42Å; P176-F178 PolarHBondContact O-N 3.38Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CD1-CD1 4.14Å; F178-L184 HydrophobicContact CD1-CD2 4.17Å; F178-L184 HydrophobicContact CE1-CD1 4.03Å; F178-L184 HydrophobicContact CG-CD2 4.34Å; F178-L184 HydrophobicContact CZ-CD1 4.38Å; F178-I216 HydrophobicContact CB-CD1 4.08Å | ||
| 179 | N | 89.7 | Confident | 90.1 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | trans | -78.6 | 152.6 | 171.1 | -65.9 | -11.9 | 0 | 0 | 0 | 109.6 | E181 S182 S220 | N179-E181 PolarHBondContact O-N 2.92Å; N179-S182 PolarHBondContact N-OG 3.13Å; N179-S182 VanDerWaalsContact O-CB 3.29Å; N179-S182 WeakPolarHBondContact O-CB 3.32Å; N179-S182 PolarHBondContact O-N 3.11Å; N179-S182 VanDerWaalsContact O-N 3.09Å; N179-S182 PolarHBondContact O-OG 3.07Å; N179-S220 WeakPolarHBondContact CB-O 3.34Å; N179-S220 PolarHBondContact ND2-O 3.38Å | ||
| 180 | S | 88.8 | Confident | 90.5 | Very high | 72 Ų | 72 | 57.1 Ų | 57.1 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 139.4 | 171.1 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | S182 S220 | S180-S182 PolarHBondContact O-N 2.92Å; S180-S220 WeakPolarHBondContact O-CB 3.42Å; S180-S220 PolarHBondContact O-OG 3.43Å |
| 181 | E | 92.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 17.8 | -176.6 | -62.2 | -76.4 | 132.8 | 0 | 0 | 115.5 | W144 R158 N179 S220 L223 L226 P227 R247 | W144-E181 VanDerWaalsContact CD1-O 3.26Å; R158-E181 IonicContact CZ-OE1 3.3Å; R158-E181 IonicContact NH2-OE1 2.6Å; R158-E181 PolarHBondContact NH2-OE1 3.46Å; R158-E181 IonicContact NH2-OE2 3.85Å; N179-E181 PolarHBondContact O-N 2.92Å; E181-S220 VanDerWaalsContact C-CB 3.49Å; E181-L223 HydrophobicContact CB-CD1 3.65Å; E181-L223 HydrophobicContact CG-CD1 3.65Å; E181-L226 HydrophobicContact CG-CD2 4.22Å; E181-P227 HydrophobicContact CG-CG 4.26Å; E181-R247 VanDerWaalsContact OE2-CD 3.32Å; E181-R247 WeakPolarHBondContact OE2-CD 3.47Å; E181-R247 IonicContact OE2-CZ 3.81Å; E181-R247 IonicContact OE2-NH1 2.82Å; E181-R247 PolarHBondContact OE2-NH1 2.89Å |
| 182 | S | 94 | Very high | 92 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | trans | -64 | 160.8 | 163.2 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | P145 N179 S180 S218 S220 | P145-S182 WeakPolarHBondContact CD-O 3.26Å; N179-S182 PolarHBondContact N-OG 3.13Å; N179-S182 VanDerWaalsContact O-CB 3.29Å; N179-S182 WeakPolarHBondContact O-CB 3.32Å; N179-S182 PolarHBondContact O-N 3.11Å; N179-S182 VanDerWaalsContact O-N 3.09Å; N179-S182 PolarHBondContact O-OG 3.07Å; S180-S182 PolarHBondContact O-N 2.92Å; S182-S218 WeakPolarHBondContact CB-O 3.48Å; S182-S220 PolarHBondContact OG-N 3.42Å; S182-S220 VanDerWaalsContact OG-N 3.08Å | ||
| 183 | V | 94.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 22% | 0.218 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | P217 S218 | V183-P217 HydrophobicContact CB-CG 4.18Å; V183-P217 HydrophobicContact CG1-CG 3.84Å; V183-P217 WeakPolarHBondContact O-CD 3.4Å; V183-S218 PolarHBondContact N-O 3.22Å |
| 184 | L | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.1 | 174.6 | -55.3 | -177.2 | 0 | 0 | 0 | 110.2 | C142 G143 P145 L155 L157 F178 V186 I214 E215 I216 | C142-L184 WeakPolarHBondContact CA-O 3.37Å; G143-L184 PolarHBondContact N-O 2.92Å; G143-L184 PolarHBondContact O-N 2.96Å; P145-L184 HydrophobicContact CB-CD1 3.72Å; P145-L184 HydrophobicContact CB-CG 4.45Å; P145-L184 HydrophobicContact CG-CD1 3.83Å; P145-L184 HydrophobicContact CG-CG 4.06Å; L155-L184 HydrophobicContact CD1-CD1 4.42Å; L155-L184 HydrophobicContact CD2-CD1 4.35Å; L157-L184 HydrophobicContact CD1-CB 3.91Å; L157-L184 HydrophobicContact CD1-CD1 4.2Å; L157-L184 HydrophobicContact CD1-CG 4.42Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CD1-CD1 4.14Å; F178-L184 HydrophobicContact CD1-CD2 4.17Å; F178-L184 HydrophobicContact CE1-CD1 4.03Å; F178-L184 HydrophobicContact CG-CD2 4.34Å; F178-L184 HydrophobicContact CZ-CD1 4.38Å; L184-V186 HydrophobicContact CB-CG2 4.39Å; L184-I214 HydrophobicContact CD2-CG2 4.42Å; L184-E215 WeakPolarHBondContact CA-O 3.31Å; L184-I216 HydrophobicContact CD2-CB 4.31Å; L184-I216 HydrophobicContact CD2-CD1 4.12Å; L184-I216 HydrophobicContact CD2-CG1 3.63Å; L184-I216 HydrophobicContact CD2-CG2 4.15Å |
| 185 | I | 94.7 | Very high | 93.3 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.4 | 165 | -57.9 | 172.7 | 0 | 0 | 0 | 106.5 | T140 C142 I214 E215 P217 | T140-I185 HydrophobicContact CG2-CG2 3.68Å; C142-I185 HydrophobicContact CB-CG1 4.2Å; I185-I214 WeakPolarHBondContact O-CA 3.39Å; I185-E215 HydrophobicContact CB-CB 4.3Å; I185-E215 PolarHBondContact N-O 2.97Å; I185-E215 PolarHBondContact O-N 3.26Å; I185-P217 HydrophobicContact CD1-CG 3.9Å; I185-P217 HydrophobicContact CG1-CG 4.04Å |
| 186 | V | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.7 | -177.4 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | T140 V141 L157 I166 L184 A211 S213 I214 | T140-V186 CarbonylContact C-O 3.55Å; T140-V186 VanDerWaalsContact CA-O 3.31Å; T140-V186 WeakPolarHBondContact CA-O 3.44Å; V141-V186 HydrophobicContact CG2-CB 4.07Å; V141-V186 PolarHBondContact N-O 3.02Å; V141-V186 PolarHBondContact O-N 2.83Å; L157-V186 HydrophobicContact CD2-CG2 4.13Å; I166-V186 HydrophobicContact CD1-CB 4.47Å; I166-V186 HydrophobicContact CD1-CG1 4.13Å; I166-V186 HydrophobicContact CG1-CG1 4.44Å; I166-V186 HydrophobicContact CG1-CG2 4.48Å; I166-V186 HydrophobicContact CG2-CG1 3.82Å; L184-V186 HydrophobicContact CB-CG2 4.39Å; V186-A211 HydrophobicContact CG1-CB 3.89Å; V186-S213 WeakPolarHBondContact CA-O 3.42Å; V186-I214 HydrophobicContact CG1-CG1 4.17Å; V186-I214 HydrophobicContact CG2-CG1 4.13Å; V186-I214 HydrophobicContact CG2-CG2 4.48Å |
| 187 | T | 95.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 57.3 Ų | 57.3 | 20% | 0.202 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.3 | 169.1 | -59.8 | 0 | 0 | 0 | 0 | 108.9 | T138 V139 T140 E212 S213 | T138-T187 HydrophobicContact CG2-CG2 4.12Å; V139-T187 WeakPolarHBondContact O-CA 3.48Å; T140-T187 WeakPolarHBondContact CG2-OG1 3.26Å; T140-T187 PolarHBondContact OG1-OG1 2.86Å; T187-E212 PolarHBondContact O-N 3.25Å; T187-S213 PolarHBondContact N-O 3.48Å; T187-S213 PolarHBondContact O-N 3.02Å |
| 188 | G | 96 | Very high | 94 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | 179.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | T138 V139 V210 | T138-G188 CarbonylContact C-O 3.57Å; T138-G188 WeakPolarHBondContact CA-O 3.5Å; V139-G188 PolarHBondContact N-O 3.43Å; V139-G188 PolarHBondContact O-N 3.25Å; G188-V210 CarbonylContact C-O 3.6Å; G188-V210 WeakPolarHBondContact CA-O 3.38Å |
| 189 | K | 96.9 | Very high | 94.2 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.2 | -177.8 | -169.2 | 175.1 | 179 | -179.2 | 0 | 111.3 | N136 S137 I209 V210 | N136-K189 WeakPolarHBondContact O-CE 3.5Å; N136-K189 VanDerWaalsContact OD1-CE 3.26Å; N136-K189 WeakPolarHBondContact OD1-CE 3.24Å; N136-K189 PolarHBondContact OD1-NZ 2.96Å; S137-K189 WeakPolarHBondContact O-CA 3.06Å; K189-I209 WeakPolarHBondContact O-CA 3.48Å; K189-V210 PolarHBondContact N-O 3.49Å; K189-V210 PolarHBondContact O-N 2.65Å |
| 190 | V | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.8 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | L130 H134 N136 S137 V139 I207 E208 I209 | L130-V190 HydrophobicContact CD2-CG2 4.41Å; H134-V190 HydrophobicContact CB-CG1 4.44Å; H134-V190 HydrophobicContact CB-CG2 4.41Å; H134-V190 VanDerWaalsContact O-CB 3.27Å; H134-V190 WeakPolarHBondContact O-CB 3.33Å; N136-V190 PolarHBondContact N-O 3.38Å; S137-V190 PolarHBondContact O-N 2.96Å; V139-V190 HydrophobicContact CB-CG2 4.4Å; V139-V190 HydrophobicContact CG1-CG2 3.87Å; V139-V190 HydrophobicContact CG2-CG2 3.59Å; V190-I207 HydrophobicContact CG1-CB 4.28Å; V190-I207 HydrophobicContact CG1-CD1 4.19Å; V190-E208 WeakPolarHBondContact CA-O 3.29Å; V190-I209 HydrophobicContact CG2-CG1 4.27Å |
| 191 | Q | 96.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 157 | 173.6 | 73 | 178.6 | 7 | 0 | 0 | 111.5 | I207 E208 V210 | Q191-I207 CarbonylContact O-C 3.26Å; Q191-I207 VanDerWaalsContact O-CA 3.3Å; Q191-I207 WeakPolarHBondContact O-CA 3.49Å; Q191-E208 HydrophobicContact CG-CG 3.61Å; Q191-E208 PolarHBondContact N-O 2.71Å; Q191-E208 PolarHBondContact NE2-OE1 2.93Å; Q191-E208 PolarHBondContact O-N 2.87Å; Q191-V210 HydrophobicContact CB-CG2 4.37Å; Q191-V210 HydrophobicContact CG-CG2 3.71Å; Q191-V210 VanDerWaalsContact NE2-CG2 3.3Å |
| 192 | A | 96.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 66 Ų | 66 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 141.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I135 | I135-A192 HydrophobicContact CD1-CB 4.03Å |
| 193 | R | 95.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 71.9 Ų | 71.9 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 150.1 | 170 | -63.7 | -169 | -162 | -164 | 1.2 | 109.8 | D197 V198 T204 G205 E206 I207 E208 | R193-D197 WeakPolarHBondContact CD-O 3.22Å; R193-V198 HydrophobicContact CB-CG2 4.44Å; R193-T204 PolarHBondContact NH2-O 2.87Å; R193-G205 VanDerWaalsContact CD-O 3.24Å; R193-G205 WeakPolarHBondContact CD-O 3.45Å; R193-G205 PolarHBondContact NE-O 2.82Å; R193-E206 PolarHBondContact N-O 3.19Å; R193-I207 PolarHBondContact NE-O 2.78Å; R193-I207 PolarHBondContact NH2-O 2.91Å; R193-E208 HydrophobicContact CG-CB 4.11Å; R193-E208 HydrophobicContact CG-CG 4.02Å |
| 194 | P | 93.3 | Very high | 94.5 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 143.6 | 165.1 | -23.4 | 33.6 | 0 | 0 | 0 | 110.6 | K196 D197 V198 | P194-K196 HydrophobicContact CB-CG 4.05Å; P194-K196 PolarHBondContact O-N 3.4Å; P194-D197 PolarHBondContact O-N 3.33Å; P194-V198 PolarHBondContact O-N 2.86Å |
| 195 | E | 93.3 | Very high | 94.6 | Very high | 188 Ų | 188 | 70.4 Ų | 70.4 | 88% | 0.879 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -52.8 | -36.2 | -175.1 | -65.8 | -176.6 | 169.9 | 0 | 0 | 113.3 | D197 | E195-D197 VanDerWaalsContact C-N 3.28Å; E195-D197 PolarHBondContact O-N 3.35Å |
| 196 | K | 93.4 | Very high | 94.7 | Very high | 178 Ų | 178 | 74.8 Ų | 74.8 | 77% | 0.774 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -66.1 | -23.7 | 176.9 | 62.2 | 176 | -174.3 | -179.8 | 0 | 114.5 | P194 | P194-K196 HydrophobicContact CB-CG 4.05Å; P194-K196 PolarHBondContact O-N 3.4Å |
| 197 | D | 92.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -107.6 | 5.8 | -172.5 | -63.1 | -42.1 | 0 | 0 | 0 | 112.4 | R193 P194 E195 N199 | R193-D197 WeakPolarHBondContact CD-O 3.22Å; P194-D197 PolarHBondContact O-N 3.33Å; E195-D197 VanDerWaalsContact C-N 3.28Å; E195-D197 PolarHBondContact O-N 3.35Å; D197-N199 PolarHBondContact O-N 3.29Å |
| 198 | V | 94.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | trans | -65.2 | 120.3 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.3 | R193 P194 G205 E206 | R193-V198 HydrophobicContact CB-CG2 4.44Å; P194-V198 PolarHBondContact O-N 2.86Å; V198-G205 WeakPolarHBondContact CA-O 3.5Å; V198-E206 HydrophobicContact CG1-CG 3.91Å | ||
| 199 | N | 93.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 73.6 Ų | 73.6 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | trans | -101.9 | 92.1 | -177.1 | -175.2 | -1.2 | 0 | 0 | 0 | 112.5 | D197 R201 M202 G205 | D197-N199 PolarHBondContact O-N 3.29Å; N199-R201 PolarHBondContact O-N 3.43Å; N199-R201 WeakPolarHBondContact OD1-CB 3.3Å; N199-R201 PolarHBondContact OD1-N 3.48Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å; N199-M202 PolarHBondContact ND2-SD 3.38Å; N199-M202 PolarHBondContact O-N 2.91Å; N199-G205 PolarHBondContact N-O 3.16Å; N199-G205 VanDerWaalsContact O-CA 3.25Å; N199-G205 WeakPolarHBondContact O-CA 3.43Å | ||
| 200 | K | 93.5 | Very high | 94.8 | Very high | 203 Ų | 203 | 71 Ų | 71 | 88% | 0.883 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12 | 179.6 | -60 | -175.3 | -178.4 | -178.1 | 0 | 115.4 | ||
| 201 | R | 92.7 | Very high | 94.8 | Very high | 239 Ų | 239 | 71 Ų | 71 | 90% | 0.902 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -15.4 | 177.1 | -59.4 | -177.8 | 179.1 | -175.2 | -0 | 113.1 | N199 | N199-R201 PolarHBondContact O-N 3.43Å; N199-R201 WeakPolarHBondContact OD1-CB 3.3Å; N199-R201 PolarHBondContact OD1-N 3.48Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å |
| 202 | M | 91.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 73.2 Ų | 73.2 | 15% | 0.153 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -107.9 | 135.4 | 179.3 | -70.2 | 178.5 | 62 | 0 | 0 | 109.8 | V156 N199 T204 G205 | V156-M202 HydrophobicContact CG1-CE 4.28Å; N199-M202 PolarHBondContact ND2-SD 3.38Å; N199-M202 PolarHBondContact O-N 2.91Å; M202-T204 PolarHBondContact O-N 2.98Å; M202-G205 WeakPolarHBondContact O-CA 3.43Å; M202-G205 PolarHBondContact O-N 3.45Å |
| 203 | P | 92.5 | Very high | 94.6 | Very high | 125 Ų | 125 | 72.8 Ų | 72.8 | 81% | 0.812 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -36.9 | 173.2 | -26.6 | 35.4 | 0 | 0 | 0 | 113.2 | G205 | P203-G205 PolarHBondContact O-N 2.89Š|
| 204 | T | 95.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 23.2 | 174.7 | 74.4 | 0 | 0 | 0 | 0 | 112.1 | C127 S163 R193 M202 E206 I207 | C127-T204 WeakPolarHBondContact O-CG2 3.29Å; S163-T204 WeakPolarHBondContact O-CG2 3.29Å; S163-T204 PolarHBondContact O-OG1 3.37Å; R193-T204 PolarHBondContact NH2-O 2.87Å; M202-T204 PolarHBondContact O-N 2.98Å; T204-E206 PolarHBondContact O-N 3.09Å; T204-I207 PolarHBondContact O-N 2.87Å |
| 205 | G | 95.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115 | R193 V198 N199 M202 P203 | R193-G205 VanDerWaalsContact CD-O 3.24Å; R193-G205 WeakPolarHBondContact CD-O 3.45Å; R193-G205 PolarHBondContact NE-O 2.82Å; V198-G205 WeakPolarHBondContact CA-O 3.5Å; N199-G205 PolarHBondContact N-O 3.16Å; N199-G205 VanDerWaalsContact O-CA 3.25Å; N199-G205 WeakPolarHBondContact O-CA 3.43Å; M202-G205 WeakPolarHBondContact O-CA 3.43Å; M202-G205 PolarHBondContact O-N 3.45Å; P203-G205 PolarHBondContact O-N 2.89Å |
| 206 | E | 96.5 | Very high | 94.6 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 53% | 0.528 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.3 | 179.7 | -64.2 | 175.1 | -174.7 | 0 | 0 | 112.7 | T132 R193 V198 T204 | T132-E206 HydrophobicContact CG2-CB 4.1Å; T132-E206 VanDerWaalsContact CG2-OE2 3.26Å; T132-E206 WeakPolarHBondContact CG2-OE2 3.19Å; R193-E206 PolarHBondContact N-O 3.19Å; V198-E206 HydrophobicContact CG1-CG 3.91Å; T204-E206 PolarHBondContact O-N 3.09Å |
| 207 | I | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 161 | -174.2 | 61.3 | 165.6 | 0 | 0 | 0 | 112.1 | L130 T132 I135 I164 V190 Q191 R193 T204 | L130-I207 HydrophobicContact CB-CD1 3.69Å; T132-I207 HydrophobicContact CG2-CG2 4.06Å; I135-I207 HydrophobicContact CD1-CG2 4.48Å; I135-I207 HydrophobicContact CG1-CG2 4.21Å; I164-I207 HydrophobicContact CD1-CD1 4.08Å; I164-I207 HydrophobicContact CD1-CG1 4.49Å; V190-I207 HydrophobicContact CG1-CB 4.28Å; V190-I207 HydrophobicContact CG1-CD1 4.19Å; Q191-I207 CarbonylContact O-C 3.26Å; Q191-I207 VanDerWaalsContact O-CA 3.3Å; Q191-I207 WeakPolarHBondContact O-CA 3.49Å; R193-I207 PolarHBondContact NE-O 2.78Å; R193-I207 PolarHBondContact NH2-O 2.91Å; T204-I207 PolarHBondContact O-N 2.87Å |
| 208 | E | 96.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163.1 | 170.4 | 62.5 | -174.6 | -173.3 | 0 | 0 | 110.3 | F154 Q165 V190 Q191 R193 | F154-E208 WeakPolarHBondContact CE1-OE2 3.36Å; Q165-E208 HydrophobicContact CB-CB 4.09Å; Q165-E208 HydrophobicContact CG-CB 4.2Å; Q165-E208 PolarHBondContact NE2-OE2 3.42Å; Q165-E208 CarbonylContact O-C 3.59Å; Q165-E208 WeakPolarHBondContact O-CA 3.46Å; Q165-E208 WeakPolarHBondContact O-CB 3.33Å; V190-E208 WeakPolarHBondContact CA-O 3.29Å; Q191-E208 HydrophobicContact CG-CG 3.61Å; Q191-E208 PolarHBondContact N-O 2.71Å; Q191-E208 PolarHBondContact NE2-OE1 2.93Å; Q191-E208 PolarHBondContact O-N 2.87Å; R193-E208 HydrophobicContact CG-CB 4.11Å; R193-E208 HydrophobicContact CG-CG 4.02Å |
| 209 | I | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.4 | 174.5 | -62 | 167.7 | 0 | 0 | 0 | 108.3 | L130 V139 V141 I164 Q165 I166 Y167 K189 V190 A211 | L130-I209 HydrophobicContact CD1-CD1 3.85Å; V139-I209 HydrophobicContact CG2-CD1 3.7Å; V139-I209 HydrophobicContact CG2-CG1 4.03Å; V141-I209 HydrophobicContact CB-CD1 4.5Å; V141-I209 HydrophobicContact CG1-CD1 3.94Å; V141-I209 HydrophobicContact CG2-CD1 3.7Å; I164-I209 HydrophobicContact CD1-CD1 3.78Å; I164-I209 HydrophobicContact CD1-CG1 3.86Å; I164-I209 HydrophobicContact CG1-CD1 4.37Å; I164-I209 HydrophobicContact CG1-CG1 4.45Å; I164-I209 HydrophobicContact CG2-CD1 4.17Å; Q165-I209 PolarHBondContact O-N 2.92Å; I166-I209 CarbonylContact C-O 3.59Å; I166-I209 WeakPolarHBondContact CA-O 3.46Å; I166-I209 HydrophobicContact CD1-CB 3.74Å; I166-I209 HydrophobicContact CD1-CD1 3.76Å; I166-I209 HydrophobicContact CD1-CG1 4.22Å; I166-I209 HydrophobicContact CD1-CG2 4.33Å; Y167-I209 PolarHBondContact N-O 3.21Å; K189-I209 WeakPolarHBondContact O-CA 3.48Å; V190-I209 HydrophobicContact CG2-CG1 4.27Å; I209-A211 PolarHBondContact O-N 3.45Å |
| 210 | V | 96.2 | Very high | 94.2 | Very high | 32 Ų | 32 | 65 Ų | 65 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 109.1 | 166.2 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | Y167 G188 K189 Q191 E212 | Y167-V210 HydrophobicContact CD1-CG1 4.48Å; Y167-V210 HydrophobicContact CD1-CG2 4.34Å; Y167-V210 WeakPolarHBondContact O-CA 3.48Å; G188-V210 CarbonylContact C-O 3.6Å; G188-V210 WeakPolarHBondContact CA-O 3.38Å; K189-V210 PolarHBondContact N-O 3.49Å; K189-V210 PolarHBondContact O-N 2.65Å; Q191-V210 HydrophobicContact CB-CG2 4.37Å; Q191-V210 HydrophobicContact CG-CG2 3.71Å; Q191-V210 VanDerWaalsContact NE2-CG2 3.3Å; V210-E212 PolarHBondContact O-N 3.37Å |
| 211 | A | 96.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 126.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I166 Y167 L173 V186 I209 I214 | I166-A211 HydrophobicContact CG2-CB 3.71Å; Y167-A211 PolarHBondContact O-N 2.94Å; L173-A211 HydrophobicContact CD2-CB 3.67Å; V186-A211 HydrophobicContact CG1-CB 3.89Å; I209-A211 PolarHBondContact O-N 3.45Å; A211-I214 HydrophobicContact CB-CD1 4.17Å; A211-I214 HydrophobicContact CB-CG1 4.16Å |
| 212 | E | 95.2 | Very high | 94 | Very high | 110 Ų | 110 | 53.9 Ų | 53.9 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -38.6 | 170 | -68 | 170.6 | -175.7 | 0 | 0 | 110.2 | T187 V210 | T187-E212 PolarHBondContact O-N 3.25Å; V210-E212 PolarHBondContact O-N 3.37Å |
| 213 | S | 94.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 148.2 | 173.1 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | V186 T187 | V186-S213 WeakPolarHBondContact CA-O 3.42Å; T187-S213 PolarHBondContact N-O 3.48Å; T187-S213 PolarHBondContact O-N 3.02Å |
| 214 | I | 94.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.7 | 173.2 | -62.8 | 167.8 | 0 | 0 | 0 | 108 | C168 L173 P176 L184 I185 V186 A211 | C168-I214 VanDerWaalsContact SG-CD1 3.6Å; L173-I214 HydrophobicContact CD2-CB 4.43Å; L173-I214 HydrophobicContact CD2-CD1 3.77Å; L173-I214 HydrophobicContact CD2-CG1 3.74Å; P176-I214 HydrophobicContact CG-CB 4.22Å; P176-I214 HydrophobicContact CG-CG2 3.67Å; L184-I214 HydrophobicContact CD2-CG2 4.42Å; I185-I214 WeakPolarHBondContact O-CA 3.39Å; V186-I214 HydrophobicContact CG1-CG1 4.17Å; V186-I214 HydrophobicContact CG2-CG1 4.13Å; V186-I214 HydrophobicContact CG2-CG2 4.48Å; A211-I214 HydrophobicContact CB-CD1 4.17Å; A211-I214 HydrophobicContact CB-CG1 4.16Å |
| 215 | E | 93.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.8 | 174.4 | -62.9 | 176.1 | -174.2 | 0 | 0 | 110.1 | L184 I185 P217 | L184-E215 WeakPolarHBondContact CA-O 3.31Å; I185-E215 HydrophobicContact CB-CB 4.3Å; I185-E215 PolarHBondContact N-O 2.97Å; I185-E215 PolarHBondContact O-N 3.26Å; E215-P217 VanDerWaalsContact O-CD 3.3Å; E215-P217 WeakPolarHBondContact O-CD 3.26Å |
| 216 | I | 93.5 | Very high | 93.7 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.205 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 84.9 | 177.7 | -46.4 | -178.1 | 0 | 0 | 0 | 108.5 | P176 F178 L184 S218 | P176-I216 HydrophobicContact CB-CD1 3.8Å; P176-I216 HydrophobicContact CG-CD1 3.81Å; P176-I216 HydrophobicContact CG-CG1 4.26Å; F178-I216 HydrophobicContact CB-CD1 4.08Å; L184-I216 HydrophobicContact CD2-CB 4.31Å; L184-I216 HydrophobicContact CD2-CD1 4.12Å; L184-I216 HydrophobicContact CD2-CG1 3.63Å; L184-I216 HydrophobicContact CD2-CG2 4.15Å; I216-S218 PolarHBondContact O-N 3.39Å |
| 217 | P | 91.2 | Very high | 93.6 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 53% | 0.532 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -25.6 | 179.1 | 25.7 | -37.1 | 0 | 0 | 0 | 113.2 | V183 I185 E215 | V183-P217 HydrophobicContact CB-CG 4.18Å; V183-P217 HydrophobicContact CG1-CG 3.84Å; V183-P217 WeakPolarHBondContact O-CD 3.4Å; I185-P217 HydrophobicContact CD1-CG 3.9Å; I185-P217 HydrophobicContact CG1-CG 4.04Å; E215-P217 VanDerWaalsContact O-CD 3.3Å; E215-P217 WeakPolarHBondContact O-CD 3.26Å |
| 218 | S | 90.7 | Very high | 93.4 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 44% | 0.441 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 125 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | S182 V183 I216 | S182-S218 WeakPolarHBondContact CB-O 3.48Å; V183-S218 PolarHBondContact N-O 3.22Å; I216-S218 PolarHBondContact O-N 3.39Å |
| 219 | H | 92.8 | Very high | 93.2 | Very high | 111 Ų | 111 | 59.4 Ų | 59.4 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 141 | 169.6 | -68.9 | -88.6 | 0 | 0 | 0 | 110.9 | ||
| 220 | S | 92.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 140.6 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | N179 S180 E181 S182 | N179-S220 WeakPolarHBondContact CB-O 3.34Å; N179-S220 PolarHBondContact ND2-O 3.38Å; S180-S220 WeakPolarHBondContact O-CB 3.42Å; S180-S220 PolarHBondContact O-OG 3.43Å; E181-S220 VanDerWaalsContact C-CB 3.49Å; S182-S220 PolarHBondContact OG-N 3.42Å; S182-S220 VanDerWaalsContact OG-N 3.08Å |
| 221 | S | 90.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 57% | 0.566 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 162.7 | 165 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | L223 | S221-L223 PolarHBondContact O-N 3.01Š|
| 222 | P | 89.5 | Confident | 92.8 | Very high | 129 Ų | 129 | 68.7 Ų | 68.7 | 84% | 0.838 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 129.6 | 168.6 | -25.7 | 35 | 0 | 0 | 0 | 110.9 | ||
| 223 | L | 90.9 | Very high | 92.8 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -102.2 | 146 | -179 | -62.6 | 179.2 | 0 | 0 | 0 | 110.2 | E181 S221 F225 L226 I244 | E181-L223 HydrophobicContact CB-CD1 3.65Å; E181-L223 HydrophobicContact CG-CD1 3.65Å; S221-L223 PolarHBondContact O-N 3.01Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.7Å; L223-L226 HydrophobicContact CD1-CD2 4.39Å; L223-I244 HydrophobicContact CD1-CD1 3.99Å; L223-I244 HydrophobicContact CD2-CD1 3.77Å; L223-I244 HydrophobicContact CD2-CG1 4.15Å |
| 224 | S | 91.3 | Very high | 92.9 | Very high | 68 Ų | 68 | 67.8 Ų | 67.8 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -61.3 | -38.7 | 175.3 | -141.5 | 0 | 0 | 0 | 0 | 111.8 | E237 Y241 | S224-E237 VanDerWaalsContact CB-OE1 3.27Å; S224-E237 WeakPolarHBondContact CB-OE1 3.33Å; S224-E237 PolarHBondContact OG-OE1 3.48Å; S224-Y241 WeakPolarHBondContact OG-CE2 3.45Å |
| 225 | F | 94.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 72 Ų | 72 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -150.4 | 160.1 | 173.4 | 60.4 | -90.9 | 0 | 0 | 0 | 110.2 | L223 A230 V233 E237 R238 Y241 I244 D245 | L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.7Å; F225-A230 HydrophobicContact CD2-CB 3.96Å; F225-A230 HydrophobicContact CE2-CB 3.71Å; F225-V233 HydrophobicContact CB-CG2 3.58Å; F225-V233 HydrophobicContact CD1-CB 4.44Å; F225-V233 HydrophobicContact CD1-CG1 3.81Å; F225-V233 HydrophobicContact CD1-CG2 4.12Å; F225-V233 HydrophobicContact CD2-CG2 4.21Å; F225-V233 HydrophobicContact CE1-CG1 4.14Å; F225-V233 HydrophobicContact CG-CB 4.44Å; F225-V233 HydrophobicContact CG-CG1 4.28Å; F225-V233 HydrophobicContact CG-CG2 3.73Å; F225-E237 HydrophobicContact CD1-CG 4.16Å; F225-E237 HydrophobicContact CE1-CG 4.18Å; F225-R238 HydrophobicContact CZ-CG 4.35Å; F225-Y241 HydrophobicContact CE1-CD2 4.22Å; F225-Y241 HydrophobicContact CE1-CG 4.48Å; F225-I244 HydrophobicContact CD2-CG2 4.03Å; F225-I244 HydrophobicContact CE2-CB 4.15Å; F225-I244 HydrophobicContact CE2-CG2 3.7Å; F225-I244 HydrophobicContact CZ-CB 4.23Å; F225-I244 HydrophobicContact CZ-CG2 4.25Å; F225-I244 WeakPolarHBondContact O-CG2 3.45Å; F225-D245 HydrophobicContact CE2-CB 4.28Å; F225-D245 HydrophobicContact CZ-CB 4.16Å |
| 226 | L | 93.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 73 Ų | 73 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | trans | -89.5 | 150.8 | 173.2 | -62.4 | 172 | 0 | 0 | 0 | 110.4 | E181 L223 K228 D229 A230 | E181-L226 HydrophobicContact CG-CD2 4.22Å; L223-L226 HydrophobicContact CD1-CD2 4.39Å; L226-K228 HydrophobicContact CB-CG 4.02Å; L226-K228 PolarHBondContact O-N 3.39Å; L226-D229 WeakPolarHBondContact CB-OD2 3.34Å; L226-D229 PolarHBondContact O-N 2.86Å; L226-A230 PolarHBondContact O-N 2.87Å | ||
| 227 | P | 93.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.013 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.6 | -179.8 | -30 | 37.2 | 0 | 0 | 0 | 115.3 | E181 D229 I244 R247 S248 | E181-P227 HydrophobicContact CG-CG 4.26Å; P227-D229 VanDerWaalsContact C-N 3.33Å; P227-I244 HydrophobicContact CG-CG2 3.83Å; P227-R247 HydrophobicContact CB-CB 3.88Å; P227-R247 HydrophobicContact CG-CB 3.77Å; P227-S248 WeakPolarHBondContact O-CB 3.45Å |
| 228 | K | 92.2 | Very high | 93.1 | Very high | 161 Ų | 161 | 73 Ų | 73 | 70% | 0.7 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27 | 176.5 | 61.8 | 173.5 | -170.9 | 179.5 | 0 | 113.2 | L226 | L226-K228 HydrophobicContact CB-CG 4.02Å; L226-K228 PolarHBondContact O-N 3.39Å |
| 229 | D | 94.1 | Very high | 93.2 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 33% | 0.326 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -4.4 | -175 | -56.3 | -44.2 | 0 | 0 | 0 | 111.5 | L226 P227 A231 N232 | L226-D229 WeakPolarHBondContact CB-OD2 3.34Å; L226-D229 PolarHBondContact O-N 2.86Å; P227-D229 VanDerWaalsContact C-N 3.33Å; D229-A231 PolarHBondContact O-N 3.35Å; D229-N232 PolarHBondContact O-N 3.06Å |
| 230 | A | 93.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.008 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -55 | -29.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | F225 L226 N232 V233 R238 D245 | F225-A230 HydrophobicContact CD2-CB 3.96Å; F225-A230 HydrophobicContact CE2-CB 3.71Å; L226-A230 PolarHBondContact O-N 2.87Å; A230-N232 PolarHBondContact O-N 3.42Å; A230-V233 PolarHBondContact O-N 3Å; A230-R238 WeakPolarHBondContact O-CD 3.26Å; A230-R238 PolarHBondContact O-NE 3.38Å; A230-D245 WeakPolarHBondContact CB-OD1 3.28Å |
| 231 | A | 92.7 | Very high | 93.2 | Very high | 83 Ų | 83 | 78 Ų | 78 | 69% | 0.686 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -65.6 | -24 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D229 | D229-A231 PolarHBondContact O-N 3.35Š|
| 232 | N | 95.1 | Very high | 93.3 | Very high | 144 Ų | 144 | 78.2 Ų | 78.2 | 77% | 0.77 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -97.6 | 2.5 | -177.3 | -58.5 | -31.5 | 0 | 0 | 0 | 112.8 | D229 A230 | D229-N232 PolarHBondContact O-N 3.06Å; A230-N232 PolarHBondContact O-N 3.42Å |
| 233 | V | 95 | Very high | 93.4 | Very high | 26 Ų | 26 | 78.5 Ų | 78.5 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -99.4 | 144.3 | -175.8 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | F225 A230 E235 E237 R238 | F225-V233 HydrophobicContact CB-CG2 3.58Å; F225-V233 HydrophobicContact CD1-CB 4.44Å; F225-V233 HydrophobicContact CD1-CG1 3.81Å; F225-V233 HydrophobicContact CD1-CG2 4.12Å; F225-V233 HydrophobicContact CD2-CG2 4.21Å; F225-V233 HydrophobicContact CE1-CG1 4.14Å; F225-V233 HydrophobicContact CG-CB 4.44Å; F225-V233 HydrophobicContact CG-CG1 4.28Å; F225-V233 HydrophobicContact CG-CG2 3.73Å; A230-V233 PolarHBondContact O-N 3Å; V233-E235 PolarHBondContact O-N 3.01Å; V233-E237 HydrophobicContact CG1-CB 3.74Å; V233-E237 HydrophobicContact CG1-CG 3.77Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.4Å; V233-R238 HydrophobicContact CB-CG 3.94Å; V233-R238 HydrophobicContact CG1-CG 3.96Å; V233-R238 WeakPolarHBondContact O-CD 3.37Å |
| 234 | N | 95.5 | Very high | 93.5 | Very high | 109 Ų | 109 | 76.6 Ų | 76.6 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | trans | -55.6 | 137.5 | 175.1 | 179.6 | -7.9 | 0 | 0 | 0 | 110.8 | M236 E237 R238 | N234-M236 VanDerWaalsContact C-N 3.26Å; N234-M236 PolarHBondContact O-N 2.95Å; N234-M236 PolarHBondContact OD1-N 3.37Å; N234-M236 VanDerWaalsContact OD1-N 3.13Å; N234-E237 PolarHBondContact O-N 3.36Å; N234-R238 WeakPolarHBondContact O-CG 3.29Å; N234-R238 PolarHBondContact O-N 3.34Å | ||
| 235 | E | 94.1 | Very high | 93.7 | Very high | 115 Ų | 115 | 73.3 Ų | 73.3 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -49.4 | -43.2 | 176.9 | -176 | 174.4 | -173.3 | 0 | 0 | 113.3 | V233 E237 R238 L239 | V233-E235 PolarHBondContact O-N 3.01Å; E235-E237 VanDerWaalsContact C-N 3.27Å; E235-E237 PolarHBondContact O-N 3.04Å; E235-R238 CarbonylContact O-C 3.56Å; E235-R238 WeakPolarHBondContact O-CB 3.31Å; E235-R238 PolarHBondContact O-N 3.41Å; E235-R238 VanDerWaalsContact O-N 3.13Å; E235-L239 HydrophobicContact CG-CD1 3.94Å; E235-L239 HydrophobicContact CG-CG 4.18Å; E235-L239 WeakPolarHBondContact O-CB 3.35Å; E235-L239 WeakPolarHBondContact O-CG 3.28Å; E235-L239 PolarHBondContact O-N 2.93Å |
| 236 | M | 94.6 | Very high | 93.6 | Very high | 136 Ų | 136 | 75.1 Ų | 75.1 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.7 | -38.9 | 179.5 | -73.8 | -61.6 | -66.8 | 0 | 0 | 112.6 | N234 K240 | N234-M236 VanDerWaalsContact C-N 3.26Å; N234-M236 PolarHBondContact O-N 2.95Å; N234-M236 PolarHBondContact OD1-N 3.37Å; N234-M236 VanDerWaalsContact OD1-N 3.13Å; M236-K240 WeakPolarHBondContact O-CB 3.5Å; M236-K240 PolarHBondContact O-N 3.22Å |
| 237 | E | 93.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 75.9 Ų | 75.9 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.4 | -37.7 | 177.2 | -175.9 | 176.6 | -175.3 | 0 | 0 | 111.3 | S224 F225 V233 N234 E235 L239 K240 Y241 | S224-E237 VanDerWaalsContact CB-OE1 3.27Å; S224-E237 WeakPolarHBondContact CB-OE1 3.33Å; S224-E237 PolarHBondContact OG-OE1 3.48Å; F225-E237 HydrophobicContact CD1-CG 4.16Å; F225-E237 HydrophobicContact CE1-CG 4.18Å; V233-E237 HydrophobicContact CG1-CB 3.74Å; V233-E237 HydrophobicContact CG1-CG 3.77Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.4Å; N234-E237 PolarHBondContact O-N 3.36Å; E235-E237 VanDerWaalsContact C-N 3.27Å; E235-E237 PolarHBondContact O-N 3.04Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.92Å; E237-K240 PolarHBondContact O-N 3.24Å; E237-Y241 HydrophobicContact CG-CD2 4.05Å; E237-Y241 HydrophobicContact CG-CE2 4.33Å; E237-Y241 PolarHBondContact O-N 3.18Å |
| 238 | R | 94 | Very high | 93.5 | Very high | 55 Ų | 55 | 76 Ų | 76 | 21% | 0.208 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 172.3 | -65.4 | 174.4 | 67.4 | -155.7 | -7.1 | 112.4 | F225 A230 V233 N234 E235 Y241 R242 D245 | F225-R238 HydrophobicContact CZ-CG 4.35Å; A230-R238 WeakPolarHBondContact O-CD 3.26Å; A230-R238 PolarHBondContact O-NE 3.38Å; V233-R238 HydrophobicContact CB-CG 3.94Å; V233-R238 HydrophobicContact CG1-CG 3.96Å; V233-R238 WeakPolarHBondContact O-CD 3.37Å; N234-R238 WeakPolarHBondContact O-CG 3.29Å; N234-R238 PolarHBondContact O-N 3.34Å; E235-R238 CarbonylContact O-C 3.56Å; E235-R238 WeakPolarHBondContact O-CB 3.31Å; E235-R238 PolarHBondContact O-N 3.41Å; E235-R238 VanDerWaalsContact O-N 3.13Å; R238-Y241 CarbonylContact O-C 3.55Å; R238-Y241 VanDerWaalsContact O-C 3.26Å; R238-R242 WeakPolarHBondContact O-CA 3.18Å; R238-R242 PolarHBondContact O-N 2.83Å; R238-D245 HydrophobicContact CB-CB 4.36Å; R238-D245 IonicContact CZ-OD1 3.05Å; R238-D245 IonicContact CZ-OD2 3.67Å; R238-D245 IonicContact NE-OD1 2.63Å; R238-D245 PolarHBondContact NE-OD1 3.26Å; R238-D245 IonicContact NE-OD2 3.68Å; R238-D245 VanDerWaalsContact NH2-CG 3.34Å; R238-D245 IonicContact NH2-OD1 3.73Å; R238-D245 PolarHBondContact NH2-OD1 2.63Å; R238-D245 IonicContact NH2-OD2 3.63Å; R238-D245 PolarHBondContact NH2-OD2 3.13Å |
| 239 | L | 92.6 | Very high | 93.4 | Very high | 87 Ų | 87 | 72.5 Ų | 72.5 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.7 | -41.3 | 175.9 | -71.1 | 174.4 | 0 | 0 | 0 | 111.2 | E235 E237 Y241 R242 | E235-L239 HydrophobicContact CG-CD1 3.94Å; E235-L239 HydrophobicContact CG-CG 4.18Å; E235-L239 WeakPolarHBondContact O-CB 3.35Å; E235-L239 WeakPolarHBondContact O-CG 3.28Å; E235-L239 PolarHBondContact O-N 2.93Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.92Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.29Å; L239-R242 WeakPolarHBondContact O-CB 3.36Å; L239-R242 PolarHBondContact O-N 3.44Å |
| 240 | K | 92.9 | Very high | 93.3 | Very high | 147 Ų | 147 | 72 Ų | 72 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 173.8 | -177.7 | 177.1 | 177.9 | -179.2 | 0 | 111.7 | M236 E237 | M236-K240 WeakPolarHBondContact O-CB 3.5Å; M236-K240 PolarHBondContact O-N 3.22Å; E237-K240 PolarHBondContact O-N 3.24Å |
| 241 | Y | 93.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 73 Ų | 73 | 24% | 0.239 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 45.3 | 177.9 | -56.5 | -67.6 | 0 | 0 | 0 | 111.9 | S224 F225 E237 R238 L239 Y243 I244 D245 | S224-Y241 WeakPolarHBondContact OG-CE2 3.45Å; F225-Y241 HydrophobicContact CE1-CD2 4.22Å; F225-Y241 HydrophobicContact CE1-CG 4.48Å; E237-Y241 HydrophobicContact CG-CD2 4.05Å; E237-Y241 HydrophobicContact CG-CE2 4.33Å; E237-Y241 PolarHBondContact O-N 3.18Å; R238-Y241 CarbonylContact O-C 3.55Å; R238-Y241 VanDerWaalsContact O-C 3.26Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.29Å; Y241-Y243 AromaticContact CD1-CE1 3.96Å; Y241-Y243 HydrophobicContact CD1-CE1 3.96Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 VanDerWaalsContact CD1-OH 3.32Å; Y241-Y243 WeakPolarHBondContact CD1-OH 3.24Å; Y241-Y243 PolarHBondContact O-N 3.41Å; Y241-Y243 VanDerWaalsContact O-N 3.13Å; Y241-I244 WeakPolarHBondContact O-CB 3.28Å; Y241-I244 PolarHBondContact O-N 3Å; Y241-D245 PolarHBondContact O-N 3.18Å |
| 242 | R | 92.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 71.3 Ų | 71.3 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.2 | -35.3 | -175.3 | -169.6 | 58.8 | 172.8 | -178.4 | 8.1 | 112.7 | R238 L239 I244 D245 L246 | R238-R242 WeakPolarHBondContact O-CA 3.18Å; R238-R242 PolarHBondContact O-N 2.83Å; L239-R242 WeakPolarHBondContact O-CB 3.36Å; L239-R242 PolarHBondContact O-N 3.44Å; R242-I244 PolarHBondContact O-N 2.97Å; R242-D245 IonicContact CZ-OD2 3.87Å; R242-D245 VanDerWaalsContact CZ-OD2 3.3Å; R242-D245 IonicContact NE-OD2 3.55Å; R242-D245 IonicContact NH1-OD2 2.96Å; R242-D245 PolarHBondContact NH1-OD2 3.35Å; R242-D245 PolarHBondContact O-N 3.28Å; R242-D245 VanDerWaalsContact O-N 3.16Å; R242-L246 HydrophobicContact CG-CD1 4.35Å; R242-L246 HydrophobicContact CG-CD2 4.45Å; R242-L246 HydrophobicContact CG-CG 4.08Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 VanDerWaalsContact O-CG 3.24Å; R242-L246 WeakPolarHBondContact O-CG 3.21Å; R242-L246 PolarHBondContact O-N 3.02Å |
| 243 | Y | 92.3 | Very high | 93.1 | Very high | 135 Ų | 135 | 72.2 Ų | 72.2 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -25 | 177.1 | 61.1 | -90.4 | 0 | 0 | 0 | 113.9 | Y241 | Y241-Y243 AromaticContact CD1-CE1 3.96Å; Y241-Y243 HydrophobicContact CD1-CE1 3.96Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 VanDerWaalsContact CD1-OH 3.32Å; Y241-Y243 WeakPolarHBondContact CD1-OH 3.24Å; Y241-Y243 PolarHBondContact O-N 3.41Å; Y241-Y243 VanDerWaalsContact O-N 3.13Å |
| 244 | I | 93 | Very high | 93 | Very high | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -83.9 | -44.8 | 171.1 | -59.7 | -55.9 | 0 | 0 | 0 | 110.7 | L223 F225 P227 Y241 R242 L246 R247 | L223-I244 HydrophobicContact CD1-CD1 3.99Å; L223-I244 HydrophobicContact CD2-CD1 3.77Å; L223-I244 HydrophobicContact CD2-CG1 4.15Å; F225-I244 HydrophobicContact CD2-CG2 4.03Å; F225-I244 HydrophobicContact CE2-CB 4.15Å; F225-I244 HydrophobicContact CE2-CG2 3.7Å; F225-I244 HydrophobicContact CZ-CB 4.23Å; F225-I244 HydrophobicContact CZ-CG2 4.25Å; F225-I244 WeakPolarHBondContact O-CG2 3.45Å; P227-I244 HydrophobicContact CG-CG2 3.83Å; Y241-I244 WeakPolarHBondContact O-CB 3.28Å; Y241-I244 PolarHBondContact O-N 3Å; R242-I244 PolarHBondContact O-N 2.97Å; I244-L246 VanDerWaalsContact C-N 3.26Å; I244-L246 PolarHBondContact O-N 3.22Å; I244-R247 VanDerWaalsContact O-CB 3.31Å; I244-R247 WeakPolarHBondContact O-CB 3.39Å; I244-R247 PolarHBondContact O-N 3.17Å |
| 245 | D | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -38 | 177.8 | 179.6 | 57.2 | 0 | 0 | 0 | 112.2 | F225 A230 R238 Y241 R242 R247 S248 M251 | F225-D245 HydrophobicContact CE2-CB 4.28Å; F225-D245 HydrophobicContact CZ-CB 4.16Å; A230-D245 WeakPolarHBondContact CB-OD1 3.28Å; R238-D245 HydrophobicContact CB-CB 4.36Å; R238-D245 IonicContact CZ-OD1 3.05Å; R238-D245 IonicContact CZ-OD2 3.67Å; R238-D245 IonicContact NE-OD1 2.63Å; R238-D245 PolarHBondContact NE-OD1 3.26Å; R238-D245 IonicContact NE-OD2 3.68Å; R238-D245 VanDerWaalsContact NH2-CG 3.34Å; R238-D245 IonicContact NH2-OD1 3.73Å; R238-D245 PolarHBondContact NH2-OD1 2.63Å; R238-D245 IonicContact NH2-OD2 3.63Å; R238-D245 PolarHBondContact NH2-OD2 3.13Å; Y241-D245 PolarHBondContact O-N 3.18Å; R242-D245 IonicContact CZ-OD2 3.87Å; R242-D245 VanDerWaalsContact CZ-OD2 3.3Å; R242-D245 IonicContact NE-OD2 3.55Å; R242-D245 IonicContact NH1-OD2 2.96Å; R242-D245 PolarHBondContact NH1-OD2 3.35Å; R242-D245 PolarHBondContact O-N 3.28Å; R242-D245 VanDerWaalsContact O-N 3.16Å; D245-R247 PolarHBondContact O-N 3.43Å; D245-R247 VanDerWaalsContact O-N 3.15Å; D245-S248 VanDerWaalsContact O-CB 3.24Å; D245-S248 WeakPolarHBondContact O-CB 3.48Å; D245-S248 PolarHBondContact O-N 3.38Å; D245-S248 PolarHBondContact O-OG 3.02Å; D245-M251 WeakPolarHBondContact O-CG 3.43Å |
| 246 | L | 92.8 | Very high | 92.7 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.6 | 175.5 | -70.3 | -172.6 | 0 | 0 | 0 | 113.2 | R242 I244 S248 M251 Q252 I255 | R242-L246 HydrophobicContact CG-CD1 4.35Å; R242-L246 HydrophobicContact CG-CD2 4.45Å; R242-L246 HydrophobicContact CG-CG 4.08Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 VanDerWaalsContact O-CG 3.24Å; R242-L246 WeakPolarHBondContact O-CG 3.21Å; R242-L246 PolarHBondContact O-N 3.02Å; I244-L246 VanDerWaalsContact C-N 3.26Å; I244-L246 PolarHBondContact O-N 3.22Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-M251 HydrophobicContact CD2-CB 4.27Å; L246-M251 HydrophobicContact CD2-CE 3.75Å; L246-M251 HydrophobicContact CD2-CG 4.48Å; L246-Q252 WeakPolarHBondContact O-CG 3.48Å; L246-Q252 PolarHBondContact O-NE2 2.88Å; L246-I255 HydrophobicContact CD1-CD1 4.41Å; L246-I255 HydrophobicContact CD2-CD1 3.61Å; L246-I255 HydrophobicContact CG-CD1 4.4Å |
| 247 | R | 93 | Very high | 92.6 | Very high | 61 Ų | 61 | 69 Ų | 69 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.9 | 172.9 | -59.2 | -178.9 | -175.2 | -179.1 | 0 | 112.9 | R158 E181 P227 I244 D245 | R158-R247 PolarHBondContact NH1-O 3.35Å; E181-R247 VanDerWaalsContact OE2-CD 3.32Å; E181-R247 WeakPolarHBondContact OE2-CD 3.47Å; E181-R247 IonicContact OE2-CZ 3.81Å; E181-R247 IonicContact OE2-NH1 2.82Å; E181-R247 PolarHBondContact OE2-NH1 2.89Å; P227-R247 HydrophobicContact CB-CB 3.88Å; P227-R247 HydrophobicContact CG-CB 3.77Å; I244-R247 VanDerWaalsContact O-CB 3.31Å; I244-R247 WeakPolarHBondContact O-CB 3.39Å; I244-R247 PolarHBondContact O-N 3.17Å; D245-R247 PolarHBondContact O-N 3.43Å; D245-R247 VanDerWaalsContact O-N 3.15Å |
| 248 | S | 92.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 72.6 Ų | 72.6 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -63.7 | 149.2 | 176.4 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | P227 D245 L246 S250 M251 Q252 | P227-S248 WeakPolarHBondContact O-CB 3.45Å; D245-S248 VanDerWaalsContact O-CB 3.24Å; D245-S248 WeakPolarHBondContact O-CB 3.48Å; D245-S248 PolarHBondContact O-N 3.38Å; D245-S248 PolarHBondContact O-OG 3.02Å; L246-S248 VanDerWaalsContact C-N 3.31Å; S248-S250 PolarHBondContact O-N 2.91Å; S248-S250 PolarHBondContact OG-OG 3.5Å; S248-M251 PolarHBondContact O-N 3.02Å; S248-M251 VanDerWaalsContact OG-CB 3.3Å; S248-M251 WeakPolarHBondContact OG-CB 3.36Å; S248-M251 VanDerWaalsContact OG-CG 3.28Å; S248-M251 WeakPolarHBondContact OG-CG 3.19Å; S248-M251 PolarHBondContact OG-N 2.9Å; S248-Q252 WeakPolarHBondContact O-CB 3.45Å; S248-Q252 VanDerWaalsContact O-CG 3.27Å; S248-Q252 WeakPolarHBondContact O-CG 3.43Å; S248-Q252 PolarHBondContact O-N 3.05Å |
| 249 | S | 90.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 70.3 Ų | 70.3 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.7 | -33.4 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | R253 | S249-R253 WeakPolarHBondContact O-CB 3.4Å; S249-R253 PolarHBondContact O-N 3.32Å; S249-R253 VanDerWaalsContact O-N 3.07Å |
| 250 | S | 92.5 | Very high | 92.5 | Very high | 49 Ų | 49 | 68.5 Ų | 68.5 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -49.9 | 175 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | S248 R253 N254 | S248-S250 PolarHBondContact O-N 2.91Å; S248-S250 PolarHBondContact OG-OG 3.5Å; S250-R253 WeakPolarHBondContact O-CB 3.4Å; S250-R253 PolarHBondContact O-N 3.31Å; S250-N254 PolarHBondContact O-N 3.47Å; S250-N254 PolarHBondContact O-OD1 2.89Å |
| 251 | M | 92.6 | Very high | 92.6 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 179.7 | -72.1 | -53.5 | -47.1 | 0 | 0 | 112.7 | D245 L246 S248 R253 N254 I255 | D245-M251 WeakPolarHBondContact O-CG 3.43Å; L246-M251 HydrophobicContact CD2-CB 4.27Å; L246-M251 HydrophobicContact CD2-CE 3.75Å; L246-M251 HydrophobicContact CD2-CG 4.48Å; S248-M251 PolarHBondContact O-N 3.02Å; S248-M251 VanDerWaalsContact OG-CB 3.3Å; S248-M251 WeakPolarHBondContact OG-CB 3.36Å; S248-M251 VanDerWaalsContact OG-CG 3.28Å; S248-M251 WeakPolarHBondContact OG-CG 3.19Å; S248-M251 PolarHBondContact OG-N 2.9Å; M251-R253 VanDerWaalsContact C-N 3.33Å; M251-R253 PolarHBondContact O-N 3.17Å; M251-N254 PolarHBondContact O-N 3.19Å; M251-I255 WeakPolarHBondContact O-CG1 3.31Å; M251-I255 PolarHBondContact O-N 3.16Å |
| 252 | Q | 91.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 174.1 | -75.4 | -68.4 | -46.4 | 0 | 0 | 111.7 | L246 S248 R256 | L246-Q252 WeakPolarHBondContact O-CG 3.48Å; L246-Q252 PolarHBondContact O-NE2 2.88Å; S248-Q252 WeakPolarHBondContact O-CB 3.45Å; S248-Q252 VanDerWaalsContact O-CG 3.27Å; S248-Q252 WeakPolarHBondContact O-CG 3.43Å; S248-Q252 PolarHBondContact O-N 3.05Å; Q252-R256 WeakPolarHBondContact O-CG 3.13Å; Q252-R256 PolarHBondContact O-N 3.41Å; Q252-R256 VanDerWaalsContact O-N 3.11Å |
| 253 | R | 92 | Very high | 92.6 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 174.3 | -172.4 | -173.2 | -59.5 | 127.3 | 0.9 | 111.3 | S249 S250 M251 R256 F257 | S249-R253 WeakPolarHBondContact O-CB 3.4Å; S249-R253 PolarHBondContact O-N 3.32Å; S249-R253 VanDerWaalsContact O-N 3.07Å; S250-R253 WeakPolarHBondContact O-CB 3.4Å; S250-R253 PolarHBondContact O-N 3.31Å; M251-R253 VanDerWaalsContact C-N 3.33Å; M251-R253 PolarHBondContact O-N 3.17Å; R253-R256 PolarHBondContact O-N 3.19Å; R253-F257 VanDerWaalsContact O-CB 3.26Å; R253-F257 WeakPolarHBondContact O-CB 3.5Å; R253-F257 PolarHBondContact O-N 3.23Å |
| 254 | N | 93 | Very high | 92.7 | Very high | 90 Ų | 90 | 59 Ų | 59 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | -177.9 | -67.3 | -6.9 | 0 | 0 | 0 | 112.2 | S250 M251 F257 R258 | S250-N254 PolarHBondContact O-N 3.47Å; S250-N254 PolarHBondContact O-OD1 2.89Å; M251-N254 PolarHBondContact O-N 3.19Å; N254-F257 PolarHBondContact O-N 2.87Å; N254-R258 WeakPolarHBondContact O-CB 3.47Å; N254-R258 PolarHBondContact O-N 3.47Å |
| 255 | I | 91.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 179.3 | -71.7 | 169.5 | 0 | 0 | 0 | 111 | T75 I77 L246 M251 R258 S259 | T75-I255 HydrophobicContact CG2-CG2 4.06Å; I77-I255 HydrophobicContact CD1-CG2 3.8Å; I77-I255 HydrophobicContact CG1-CG2 3.62Å; I77-I255 HydrophobicContact CG2-CG2 4.34Å; L246-I255 HydrophobicContact CD1-CD1 4.41Å; L246-I255 HydrophobicContact CD2-CD1 3.61Å; L246-I255 HydrophobicContact CG-CD1 4.4Å; M251-I255 WeakPolarHBondContact O-CG1 3.31Å; M251-I255 PolarHBondContact O-N 3.16Å; I255-R258 PolarHBondContact O-N 3.46Å; I255-S259 WeakPolarHBondContact O-CB 3.45Å; I255-S259 PolarHBondContact O-N 3.15Å |
| 256 | R | 91.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 65.4 Ų | 65.4 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.4 | -73.4 | -171.1 | -177 | 93 | 20.6 | 112.4 | T75 D160 Q252 R253 S259 S260 | T75-R256 HydrophobicContact CG2-CG 3.91Å; D160-R256 PolarHBondContact O-NH1 3.5Å; D160-R256 PolarHBondContact O-NH2 3Å; D160-R256 IonicContact OD2-NH2 3.33Å; D160-R256 PolarHBondContact OD2-NH2 3.31Å; D160-R256 VanDerWaalsContact OD2-NH2 3.11Å; Q252-R256 WeakPolarHBondContact O-CG 3.13Å; Q252-R256 PolarHBondContact O-N 3.41Å; Q252-R256 VanDerWaalsContact O-N 3.11Å; R253-R256 PolarHBondContact O-N 3.19Å; R256-S259 WeakPolarHBondContact O-CB 3.26Å; R256-S259 PolarHBondContact O-N 3.06Å; R256-S260 PolarHBondContact O-N 2.87Å; R256-S260 PolarHBondContact O-OG 3.43Å |
| 257 | F | 92.7 | Very high | 92.8 | Very high | 131 Ų | 131 | 63.8 Ų | 63.8 | 58% | 0.575 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 176.9 | -177 | -116.4 | 0 | 0 | 0 | 111.1 | R253 N254 S259 S260 I261 | R253-F257 VanDerWaalsContact O-CB 3.26Å; R253-F257 WeakPolarHBondContact O-CB 3.5Å; R253-F257 PolarHBondContact O-N 3.23Å; N254-F257 PolarHBondContact O-N 2.87Å; F257-S259 PolarHBondContact O-N 2.91Å; F257-S260 WeakPolarHBondContact CA-OG 3.43Å; F257-S260 PolarHBondContact O-N 2.92Å; F257-S260 PolarHBondContact O-OG 2.87Å; F257-I261 HydrophobicContact CD1-CD1 3.75Å; F257-I261 HydrophobicContact CD2-CD1 4.35Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.39Å; F257-I261 HydrophobicContact CE2-CD1 3.93Å; F257-I261 HydrophobicContact CE2-CG1 4.27Å; F257-I261 HydrophobicContact CG-CD1 4.28Å; F257-I261 HydrophobicContact CZ-CD1 3.39Å; F257-I261 HydrophobicContact CZ-CG1 4.19Å; F257-I261 WeakPolarHBondContact O-CG1 3.31Å; F257-I261 PolarHBondContact O-N 2.86Å |
| 258 | R | 93.6 | Very high | 93 | Very high | 142 Ų | 142 | 66.6 Ų | 66.6 | 54% | 0.536 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.6 | -50.2 | 173.1 | 178 | -179.4 | 171.2 | 88.8 | 2.6 | 111.4 | E78 N254 I255 S260 I261 I262 | E78-R258 IonicContact OE2-CZ 3.33Å; E78-R258 IonicContact OE2-NH2 2.85Å; E78-R258 PolarHBondContact OE2-NH2 3.48Å; N254-R258 WeakPolarHBondContact O-CB 3.47Å; N254-R258 PolarHBondContact O-N 3.47Å; I255-R258 PolarHBondContact O-N 3.46Å; R258-S260 VanDerWaalsContact C-N 3.32Å; R258-S260 PolarHBondContact O-N 3.22Å; R258-I261 PolarHBondContact O-N 3.47Å; R258-I262 HydrophobicContact CG-CD1 3.68Å; R258-I262 HydrophobicContact CG-CG1 4.39Å; R258-I262 VanDerWaalsContact O-CG1 3.3Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.35Å |
| 259 | S | 92.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.9 | -45.1 | 178.2 | -172 | 0 | 0 | 0 | 0 | 111.8 | E76 I255 R256 F257 I261 I262 L263 | E76-S259 PolarHBondContact N-OG 3.32Å; E76-S259 WeakPolarHBondContact O-CB 3.26Å; E76-S259 PolarHBondContact O-OG 2.96Å; E76-S259 VanDerWaalsContact O-OG 3.13Å; I255-S259 WeakPolarHBondContact O-CB 3.45Å; I255-S259 PolarHBondContact O-N 3.15Å; R256-S259 WeakPolarHBondContact O-CB 3.26Å; R256-S259 PolarHBondContact O-N 3.06Å; F257-S259 PolarHBondContact O-N 2.91Å; S259-I261 PolarHBondContact O-N 3.3Å; S259-I262 PolarHBondContact O-N 3.36Å; S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 PolarHBondContact O-N 3.23Å |
| 260 | S | 92.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 34% | 0.336 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | R256 F257 R258 Q264 | R256-S260 PolarHBondContact O-N 2.87Å; R256-S260 PolarHBondContact O-OG 3.43Å; F257-S260 WeakPolarHBondContact CA-OG 3.43Å; F257-S260 PolarHBondContact O-N 2.92Å; F257-S260 PolarHBondContact O-OG 2.87Å; R258-S260 VanDerWaalsContact C-N 3.32Å; R258-S260 PolarHBondContact O-N 3.22Å; S260-Q264 VanDerWaalsContact O-CG 3.31Å; S260-Q264 WeakPolarHBondContact O-CG 3.44Å; S260-Q264 PolarHBondContact O-N 3.33Å |
| 261 | I | 94.9 | Very high | 93.2 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -49.3 | 177.9 | -73.9 | 171 | 0 | 0 | 0 | 109.9 | F257 R258 S259 L263 Q264 M265 | F257-I261 HydrophobicContact CD1-CD1 3.75Å; F257-I261 HydrophobicContact CD2-CD1 4.35Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.39Å; F257-I261 HydrophobicContact CE2-CD1 3.93Å; F257-I261 HydrophobicContact CE2-CG1 4.27Å; F257-I261 HydrophobicContact CG-CD1 4.28Å; F257-I261 HydrophobicContact CZ-CD1 3.39Å; F257-I261 HydrophobicContact CZ-CG1 4.19Å; F257-I261 WeakPolarHBondContact O-CG1 3.31Å; F257-I261 PolarHBondContact O-N 2.86Å; R258-I261 PolarHBondContact O-N 3.47Å; S259-I261 PolarHBondContact O-N 3.3Å; I261-L263 VanDerWaalsContact C-N 3.3Å; I261-L263 PolarHBondContact O-N 3.01Å; I261-Q264 PolarHBondContact O-N 2.92Å; I261-Q264 VanDerWaalsContact O-N 3.17Å; I261-M265 HydrophobicContact CG2-CG 4.27Å; I261-M265 HydrophobicContact CG2-SD 3.84Å; I261-M265 WeakPolarHBondContact O-CG 3.48Å; I261-M265 PolarHBondContact O-N 3.31Å |
| 262 | I | 93.5 | Very high | 93.1 | Very high | 32 Ų | 32 | 73.9 Ų | 73.9 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | -177.5 | -66.3 | 170.9 | 0 | 0 | 0 | 110.2 | R258 S259 Q264 M265 R266 | R258-I262 HydrophobicContact CG-CD1 3.68Å; R258-I262 HydrophobicContact CG-CG1 4.39Å; R258-I262 VanDerWaalsContact O-CG1 3.3Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.35Å; S259-I262 PolarHBondContact O-N 3.36Å; I262-Q264 PolarHBondContact O-N 3.09Å; I262-M265 PolarHBondContact O-N 3.26Å; I262-R266 HydrophobicContact CG2-CG 4.46Å; I262-R266 WeakPolarHBondContact O-CG 3.25Å; I262-R266 PolarHBondContact O-N 2.86Å |
| 263 | L | 93 | Very high | 93.3 | Very high | 15 Ų | 15 | 75.5 Ų | 75.5 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.4 | -175.5 | 63.3 | 0 | 0 | 0 | 112.2 | R65 C69 Q70 S259 I261 R266 N267 | R65-L263 HydrophobicContact CB-CD1 4.23Å; C69-L263 HydrophobicContact CB-CD2 3.69Å; Q70-L263 HydrophobicContact CG-CD2 3.8Å; S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 PolarHBondContact O-N 3.23Å; I261-L263 VanDerWaalsContact C-N 3.3Å; I261-L263 PolarHBondContact O-N 3.01Å; L263-R266 PolarHBondContact O-N 2.87Å; L263-N267 PolarHBondContact O-N 3.27Å; L263-N267 PolarHBondContact O-ND2 3.39Å |
| 264 | Q | 93.5 | Very high | 93.3 | Very high | 119 Ų | 119 | 70.7 Ų | 70.7 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 175.3 | -74.4 | 178.8 | 16.9 | 0 | 0 | 111.8 | S260 I261 I262 R266 N267 F268 | S260-Q264 VanDerWaalsContact O-CG 3.31Å; S260-Q264 WeakPolarHBondContact O-CG 3.44Å; S260-Q264 PolarHBondContact O-N 3.33Å; I261-Q264 PolarHBondContact O-N 2.92Å; I261-Q264 VanDerWaalsContact O-N 3.17Å; I262-Q264 PolarHBondContact O-N 3.09Å; Q264-R266 PolarHBondContact O-N 2.77Å; Q264-N267 PolarHBondContact O-N 2.74Å; Q264-F268 WeakPolarHBondContact O-CB 3.42Å; Q264-F268 PolarHBondContact O-N 3.15Å |
| 265 | M | 95.5 | Very high | 93.4 | Very high | 111 Ų | 111 | 72.3 Ų | 72.3 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 175.6 | -69.9 | 176.4 | 69.5 | 0 | 0 | 111.6 | I261 I262 F268 L269 | I261-M265 HydrophobicContact CG2-CG 4.27Å; I261-M265 HydrophobicContact CG2-SD 3.84Å; I261-M265 WeakPolarHBondContact O-CG 3.48Å; I261-M265 PolarHBondContact O-N 3.31Å; I262-M265 PolarHBondContact O-N 3.26Å; M265-F268 PolarHBondContact O-N 2.94Å; M265-L269 WeakPolarHBondContact O-CB 3.17Å; M265-L269 WeakPolarHBondContact O-CG 3.48Å; M265-L269 PolarHBondContact O-N 3.32Å |
| 266 | R | 94.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 73.3 Ų | 73.3 | 11% | 0.106 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 177.4 | -75.5 | -179.4 | 177.4 | 129.6 | 6.7 | 111.8 | L62 R65 E76 E78 I262 L263 Q264 L269 C270 E277 | L62-R266 HydrophobicContact CD1-CB 4.23Å; R65-R266 VanDerWaalsContact CZ-CZ 3.43Å; E76-R266 IonicContact OE1-CZ 2.92Å; E76-R266 IonicContact OE1-NH1 3.51Å; E76-R266 PolarHBondContact OE1-NH1 3.02Å; E76-R266 IonicContact OE1-NH2 2.83Å; E76-R266 IonicContact OE2-NH1 3.56Å; E76-R266 PolarHBondContact OE2-NH1 3.3Å; E78-R266 IonicContact OE1-NH2 2.65Å; I262-R266 HydrophobicContact CG2-CG 4.46Å; I262-R266 WeakPolarHBondContact O-CG 3.25Å; I262-R266 PolarHBondContact O-N 2.86Å; L263-R266 PolarHBondContact O-N 2.87Å; Q264-R266 PolarHBondContact O-N 2.77Å; R266-L269 PolarHBondContact O-N 3.01Å; R266-C270 VanDerWaalsContact O-CB 3.24Å; R266-C270 WeakPolarHBondContact O-CB 3.46Å; R266-C270 PolarHBondContact O-N 3.42Å; R266-C270 PolarHBondContact O-SG 3.33Å; R266-E277 IonicContact CZ-OE1 3.73Å; R266-E277 IonicContact NE-OE1 3.25Å; R266-E277 PolarHBondContact NE-OE1 3.07Å; R266-E277 IonicContact NE-OE2 3.65Å; R266-E277 IonicContact NH2-OE1 3.45Å |
| 267 | N | 93.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.102 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 176.8 | -76.4 | -30.5 | 0 | 0 | 0 | 111.1 | N66 Q70 L263 Q264 L269 Q271 N272 | N66-N267 PolarHBondContact ND2-OD1 2.77Å; N66-N267 PolarHBondContact OD1-ND2 3.48Å; N66-N267 PolarHBondContact OD1-OD1 3.01Å; Q70-N267 PolarHBondContact NE2-ND2 3.24Å; Q70-N267 VanDerWaalsContact NE2-ND2 3.18Å; L263-N267 PolarHBondContact O-N 3.27Å; L263-N267 PolarHBondContact O-ND2 3.39Å; Q264-N267 PolarHBondContact O-N 2.74Å; N267-L269 PolarHBondContact O-N 3.32Å; N267-Q271 WeakPolarHBondContact O-CA 3.4Å; N267-Q271 WeakPolarHBondContact O-CB 3.5Å; N267-Q271 PolarHBondContact O-N 3.31Å; N267-N272 PolarHBondContact O-OD1 3.23Å |
| 268 | F | 95.7 | Very high | 93.4 | Very high | 120 Ų | 120 | 70.8 Ų | 70.8 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | I | π-helix | trans | -59.6 | -48.8 | 177.2 | 178.2 | -101.3 | 0 | 0 | 0 | 112.6 | Q264 M265 N272 N273 | Q264-F268 WeakPolarHBondContact O-CB 3.42Å; Q264-F268 PolarHBondContact O-N 3.15Å; M265-F268 PolarHBondContact O-N 2.94Å; F268-N272 HydrophobicContact CD2-CB 4.43Å; F268-N272 VanDerWaalsContact O-CB 3.31Å; F268-N272 WeakPolarHBondContact O-CB 3.47Å; F268-N272 PolarHBondContact O-N 3.08Å; F268-N273 WeakPolarHBondContact CD1-ND2 3.31Å; F268-N273 WeakPolarHBondContact CE1-ND2 3.22Å; F268-N273 VanDerWaalsContact CZ-ND2 3.25Å; F268-N273 WeakPolarHBondContact CZ-ND2 3.43Å; F268-N273 PolarHBondContact O-N 3.18Å; F268-N273 PolarHBondContact O-ND2 3.3Å |
| 269 | L | 96.4 | Very high | 93 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 36% | 0.356 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -69.6 | -47.7 | -178.1 | -68.9 | 172.8 | 0 | 0 | 0 | 111.8 | M265 R266 N267 N273 G274 F275 | M265-L269 WeakPolarHBondContact O-CB 3.17Å; M265-L269 WeakPolarHBondContact O-CG 3.48Å; M265-L269 PolarHBondContact O-N 3.32Å; R266-L269 PolarHBondContact O-N 3.01Å; N267-L269 PolarHBondContact O-N 3.32Å; L269-N273 CarbonylContact O-C 3.46Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 PolarHBondContact O-N 2.88Å; L269-G274 PolarHBondContact O-N 3.06Å; L269-F275 HydrophobicContact CB-CB 4.15Å; L269-F275 HydrophobicContact CB-CD2 4.35Å; L269-F275 HydrophobicContact CB-CG 4.36Å; L269-F275 HydrophobicContact CD2-CD2 4.12Å; L269-F275 HydrophobicContact CD2-CE2 4.21Å; L269-F275 HydrophobicContact CD2-CG 4.49Å; L269-F275 WeakPolarHBondContact O-CB 3.45Å; L269-F275 WeakPolarHBondContact O-CD2 3.49Å; L269-F275 PolarHBondContact O-N 3.03Å |
| 270 | C | 93.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 74.3 Ų | 74.3 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | I | π-helix | trans | -81.4 | -43.9 | -171.8 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | L62 R266 F275 | L62-C270 HydrophobicContact CD2-CB 3.7Å; R266-C270 VanDerWaalsContact O-CB 3.24Å; R266-C270 WeakPolarHBondContact O-CB 3.46Å; R266-C270 PolarHBondContact O-N 3.42Å; R266-C270 PolarHBondContact O-SG 3.33Å; C270-F275 WeakPolarHBondContact CA-O 3.43Å |
| 271 | Q | 89.9 | Confident | 91.8 | Very high | 112 Ų | 112 | 77.1 Ų | 77.1 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | I | π-helix | trans | -85.2 | -42.6 | -175.3 | -56 | -177.6 | -29.7 | 0 | 0 | 111.8 | L62 N66 N267 | L62-Q271 HydrophobicContact CD2-CG 3.73Å; N66-Q271 PolarHBondContact ND2-NE2 2.86Å; N267-Q271 WeakPolarHBondContact O-CA 3.4Å; N267-Q271 WeakPolarHBondContact O-CB 3.5Å; N267-Q271 PolarHBondContact O-N 3.31Å |
| 272 | N | 92.2 | Very high | 90.9 | Very high | 114 Ų | 114 | 81.5 Ų | 81.5 | 61% | 0.61 | 42% | 0.423 | S | S | * | . | I | π-helix | trans | -89.9 | -28.7 | -173.2 | -57.7 | 43.5 | 0 | 0 | 0 | 112.9 | N267 F268 | N267-N272 PolarHBondContact O-OD1 3.23Å; F268-N272 HydrophobicContact CD2-CB 4.43Å; F268-N272 VanDerWaalsContact O-CB 3.31Å; F268-N272 WeakPolarHBondContact O-CB 3.47Å; F268-N272 PolarHBondContact O-N 3.08Å |
| 273 | N | 94.8 | Very high | 90 | Very high | 80 Ų | 80 | 87.9 Ų | 87.9 | 43% | 0.428 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -118.6 | 4.3 | -172.7 | -63 | -70.2 | 0 | 0 | 0 | 114.3 | F268 L269 F275 | F268-N273 WeakPolarHBondContact CD1-ND2 3.31Å; F268-N273 WeakPolarHBondContact CE1-ND2 3.22Å; F268-N273 VanDerWaalsContact CZ-ND2 3.25Å; F268-N273 WeakPolarHBondContact CZ-ND2 3.43Å; F268-N273 PolarHBondContact O-N 3.18Å; F268-N273 PolarHBondContact O-ND2 3.3Å; L269-N273 CarbonylContact O-C 3.46Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 PolarHBondContact O-N 2.88Å; N273-F275 HydrophobicContact CB-CD2 3.61Å; N273-F275 HydrophobicContact CB-CE2 3.72Å; N273-F275 PolarHBondContact O-N 2.88Å |
| 274 | G | 91.6 | Very high | 89.1 | Confident | 63 Ų | 63 | 94.6 Ų | 94.6 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | trans | 68.6 | 17.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L269 | L269-G274 PolarHBondContact O-N 3.06Š| ||
| 275 | F | 94.8 | Very high | 88.2 | Confident | 124 Ų | 124 | 98.1 Ų | 98.1 | 54% | 0.544 | 50% | 0.499 | S | S | . | . | trans | -68.2 | 151.1 | 173.3 | -74.2 | -101.9 | 0 | 0 | 0 | 110.8 | L269 C270 N273 | L269-F275 HydrophobicContact CB-CB 4.15Å; L269-F275 HydrophobicContact CB-CD2 4.35Å; L269-F275 HydrophobicContact CB-CG 4.36Å; L269-F275 HydrophobicContact CD2-CD2 4.12Å; L269-F275 HydrophobicContact CD2-CE2 4.21Å; L269-F275 HydrophobicContact CD2-CG 4.49Å; L269-F275 WeakPolarHBondContact O-CB 3.45Å; L269-F275 WeakPolarHBondContact O-CD2 3.49Å; L269-F275 PolarHBondContact O-N 3.03Å; C270-F275 WeakPolarHBondContact CA-O 3.43Å; N273-F275 HydrophobicContact CB-CD2 3.61Å; N273-F275 HydrophobicContact CB-CE2 3.72Å; N273-F275 PolarHBondContact O-N 2.88Å | ||
| 276 | T | 93.4 | Very high | 87.3 | Confident | 49 Ų | 49 | 97.7 Ų | 97.7 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | trans | -112.5 | 122.7 | 173.4 | -56.8 | 0 | 0 | 0 | 0 | 108.6 | I54 R55 I278 | I54-T276 HydrophobicContact CG2-CG2 3.73Å; R55-T276 HydrophobicContact CG-CG2 4.03Å; T276-I278 HydrophobicContact CG2-CG1 4.4Å; T276-I278 PolarHBondContact O-N 3.17Å | ||
| 277 | E | 92.3 | Very high | 86.4 | Confident | 57 Ų | 57 | 100.4 Ų | 100.4 | 27% | 0.266 | 52% | 0.518 | S | S | . | . | trans | -75.1 | 124.8 | 176.2 | -169.1 | 175.9 | -173.2 | 0 | 0 | 109.7 | S58 R65 R266 | S58-E277 PolarHBondContact OG-N 3.11Å; R65-E277 IonicContact CZ-OE1 3.61Å; R65-E277 IonicContact CZ-OE2 3.61Å; R65-E277 VanDerWaalsContact NH1-CD 3.3Å; R65-E277 IonicContact NH1-OE1 3.73Å; R65-E277 PolarHBondContact NH1-OE1 2.95Å; R65-E277 IonicContact NH1-OE2 2.94Å; R65-E277 PolarHBondContact NH1-OE2 3.37Å; R65-E277 IonicContact NH2-OE1 2.63Å; R65-E277 PolarHBondContact NH2-OE1 3.46Å; R266-E277 IonicContact CZ-OE1 3.73Å; R266-E277 IonicContact NE-OE1 3.25Å; R266-E277 PolarHBondContact NE-OE1 3.07Å; R266-E277 IonicContact NE-OE2 3.65Å; R266-E277 IonicContact NH2-OE1 3.45Å | ||
| 278 | I | 90.2 | Very high | 85.5 | Confident | 90 Ų | 90 | 104.8 Ų | 104.8 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | trans | -125.2 | 119.1 | -177.6 | -48.1 | -173.8 | 0 | 0 | 0 | 108.5 | I54 T276 | I54-I278 HydrophobicContact CG2-CB 4.39Å; I54-I278 HydrophobicContact CG2-CD1 3.74Å; I54-I278 HydrophobicContact CG2-CG1 3.54Å; I54-I278 HydrophobicContact CG2-CG2 4.3Å; T276-I278 HydrophobicContact CG2-CG1 4.4Å; T276-I278 PolarHBondContact O-N 3.17Å | ||
| 279 | E | 85.3 | Confident | 84.3 | Confident | 118 Ų | 118 | 102.5 Ų | 102.5 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 127.3 | 170.3 | -68.5 | 170.3 | 169.1 | 0 | 0 | 109.5 | R57 | R57-E279 IonicContact CZ-OE2 3.55Å; R57-E279 IonicContact NE-OE2 3.96Å; R57-E279 IonicContact NH2-OE1 3.77Å; R57-E279 IonicContact NH2-OE2 3.73Å; R57-E279 PolarHBondContact NH2-OE2 3.25Å |
| 280 | T | 82.1 | Confident | 82.4 | Confident | 106 Ų | 106 | 107.7 Ų | 107.7 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 153.6 | 178.5 | 54 | 0 | 0 | 0 | 0 | 110.7 | ||
| 281 | P | 78 | Confident | 80.2 | Confident | 108 Ų | 108 | 115.3 Ų | 115.3 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138.4 | 175.6 | 26.7 | -34.3 | 0 | 0 | 0 | 111 | ||
| 282 | Y | 74.7 | Confident | 78.2 | Confident | 155 Ų | 155 | 115.3 Ų | 115.3 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -77.2 | -27.7 | 177.2 | -72.1 | -80.6 | 0 | 0 | 0 | 113.5 | Y81 F284 | Y81-Y282 HydrophobicContact CE2-CE1 4.13Å; Y81-Y282 PolarHBondContact OH-OH 2.84Å; Y282-F284 WeakPolarHBondContact O-CD1 3.3Å |
| 283 | L | 76.4 | Confident | 76 | Confident | 167 Ų | 167 | 119.5 Ų | 119.5 | 87% | 0.874 | 65% | 0.65 | S | S | * | * | trans | -94 | 114.8 | 177.8 | -63.2 | 175.8 | 0 | 0 | 0 | 109.4 | ||||
| 284 | F | 73.6 | Confident | 75 | Confident | 156 Ų | 156 | 121.5 Ų | 121.5 | 68% | 0.684 | 66% | 0.661 | S | S | * | * | trans | -125.7 | 157.2 | -179.4 | 57.6 | -87.4 | 0 | 0 | 0 | 111.5 | Y282 | Y282-F284 WeakPolarHBondContact O-CD1 3.3Š| ||
| 285 | K | 73.7 | Confident | 74.1 | Confident | 192 Ų | 192 | 124.6 Ų | 124.6 | 84% | 0.835 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 130.5 | 171.4 | -174.9 | 177.8 | -180 | -179.9 | 0 | 108.8 | T287 | K285-T287 PolarHBondContact O-N 3.04Š|
| 286 | I | 76.3 | Confident | 73 | Confident | 102 Ų | 102 | 124.6 Ų | 124.6 | 52% | 0.523 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 127.3 | 177.6 | -59.9 | 170.7 | 0 | 0 | 0 | 109.2 | ||
| 287 | T | 75.3 | Confident | 71.8 | Confident | 86 Ų | 86 | 129.1 Ų | 129.1 | 53% | 0.528 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -96.1 | 141.6 | 170.8 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | K285 G289 | K285-T287 PolarHBondContact O-N 3.04Å; T287-G289 PolarHBondContact O-N 3.31Å; T287-G289 VanDerWaalsContact O-N 3.08Å |
| 288 | P | 74 | Confident | 70.5 | Confident | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -4.9 | -173.3 | 25.1 | -32.6 | 0 | 0 | 0 | 114.8 | E290 | P288-E290 VanDerWaalsContact C-N 3.34Å; P288-E290 PolarHBondContact O-N 3.42Å |
| 289 | G | 71.1 | Confident | 69.2 | Low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -15.4 | -172 | 0 | 0 | 0 | 0 | 0 | 116.2 | T287 | T287-G289 PolarHBondContact O-N 3.31Å; T287-G289 VanDerWaalsContact O-N 3.08Å |
| 290 | E | 57.5 | Low | 68.1 | Low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -124.8 | 1.4 | -174.8 | -67.1 | -177.9 | 168.6 | 0 | 0 | 113.5 | P288 | P288-E290 VanDerWaalsContact C-N 3.34Å; P288-E290 PolarHBondContact O-N 3.42Å |
| 291 | R | 48 | Very low | 67 | Low | 182 Ų | 182 | 140.2 Ų | 140.2 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | -138.6 | 74.9 | 176.6 | -65.1 | -174.3 | -162.4 | -179.2 | 4.5 | 109.9 | ||||
| 292 | C | 46.6 | Very low | 66.1 | Low | 113 Ų | 113 | 142.9 Ų | 142.9 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -86.3 | 142.2 | 150 | -78 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 293 | P | 45.5 | Very low | 65.3 | Low | 202 Ų | 202 | 141.8 Ų | 141.8 | 100% | 1.312 | 77% | 0.772 | S | S | * | * | trans | -58.5 | 0 | -179.2 | 26.8 | -35.2 | 0 | 0 | 0 | 113.3 |
Retrieved 293 of 293 residues in 120 ms
(Link to these results)