| 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 | 38.5 | Very low | 61.2 | Low | 244 Ų | 244 | 130.5 Ų | 130.5 | 100% | 1.202 | 74% | 0.737 | S | S | * | * | 0 | 73.7 | 0 | -77 | -102.6 | -153.1 | 0 | 0 | 108.7 | |||||
| 2 | T | 47.1 | Very low | 61.7 | Low | 145 Ų | 145 | 132.6 Ų | 132.6 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | trans | -160.8 | 67.5 | 174.7 | 39.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | G | 55.9 | Low | 62.5 | Low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | -94.4 | 104.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T5 | G3-T5 PolarHBondContact O-N 3.01Š| ||
| 4 | S | 57.4 | Low | 63.2 | Low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -61.8 | 123.3 | 175.5 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | K6 | S4-K6 PolarHBondContact O-N 2.93Š| ||
| 5 | T | 59 | Low | 63.9 | Low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | trans | -72.8 | 85.7 | 176.5 | 43.1 | 0 | 0 | 0 | 0 | 110.3 | G3 | G3-T5 PolarHBondContact O-N 3.01Š| ||
| 6 | K | 67.9 | Low | 64.8 | Low | 137 Ų | 137 | 142.3 Ų | 142.3 | 60% | 0.596 | 76% | 0.759 | S | S | * | * | trans | -68.8 | 143.5 | 165.4 | -69.7 | -175.8 | -179.3 | 179.9 | 0 | 110.3 | S4 R11 | S4-K6 PolarHBondContact O-N 2.93Å; K6-R11 PolarHBondContact O-NH2 3.02Å | ||
| 7 | P | 72.5 | Confident | 65.4 | Low | 84 Ų | 84 | 142.8 Ų | 142.8 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | trans | -61 | 149 | 179.2 | 26.2 | -33.9 | 0 | 0 | 0 | 111.6 | L9 D10 | P7-L9 PolarHBondContact O-N 3.25Å; P7-L9 VanDerWaalsContact O-N 3.13Å; P7-D10 PolarHBondContact O-N 3.04Å | ||
| 8 | D | 66.1 | Low | 66.3 | Low | 120 Ų | 120 | 144.1 Ų | 144.1 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -63 | -21.1 | -171.9 | -129.4 | 15.5 | 0 | 0 | 0 | 113.8 | D10 R11 | D8-D10 PolarHBondContact O-N 2.92Å; D8-R11 PolarHBondContact O-N 3.26Å; D8-R11 WeakPolarHBondContact OD1-CD 3.41Å; D8-R11 IonicContact OD1-NE 3.69Å |
| 9 | L | 72.2 | Confident | 67.2 | Low | 167 Ų | 167 | 141.9 Ų | 141.9 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -66.9 | -19.6 | -178.6 | -65.3 | 171.7 | 0 | 0 | 0 | 114 | P7 | P7-L9 PolarHBondContact O-N 3.25Å; P7-L9 VanDerWaalsContact O-N 3.13Å |
| 10 | D | 70.8 | Confident | 68 | Low | 126 Ų | 126 | 143.5 Ų | 143.5 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -94.2 | -0.4 | 178.3 | -72.6 | -17.3 | 0 | 0 | 0 | 113.1 | P7 D8 | P7-D10 PolarHBondContact O-N 3.04Å; D8-D10 PolarHBondContact O-N 2.92Å |
| 11 | R | 66.1 | Low | 68.8 | Low | 101 Ų | 101 | 144.1 Ų | 144.1 | 38% | 0.381 | 76% | 0.756 | S | S | . | * | S | Bend | trans | -93.9 | 125.7 | -176.1 | -60.7 | -176.3 | -163.2 | -134 | 5.3 | 110.8 | K6 D8 G13 E17 | K6-R11 PolarHBondContact O-NH2 3.02Å; D8-R11 PolarHBondContact O-N 3.26Å; D8-R11 WeakPolarHBondContact OD1-CD 3.41Å; D8-R11 IonicContact OD1-NE 3.69Å; R11-G13 PolarHBondContact O-N 3.19Å; R11-E17 IonicContact NH1-OE1 3.9Å |
| 12 | L | 67.3 | Low | 71 | Confident | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | trans | -62.8 | 90.5 | 173.5 | -78.6 | 161.3 | 0 | 0 | 0 | 110.3 | Y14 | L12-Y14 WeakPolarHBondContact O-CD2 3.24Å; L12-Y14 WeakPolarHBondContact O-CE2 2.99Å; L12-Y14 PolarHBondContact O-N 2.94Å | ||
| 13 | G | 71.7 | Confident | 72.6 | Confident | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 57 | 6.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | R11 | R11-G13 PolarHBondContact O-N 3.19Š|
| 14 | Y | 72.8 | Confident | 73.9 | Confident | 182 Ų | 182 | 136.1 Ų | 136.1 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | trans | -110.1 | 119.7 | -178.7 | -60.5 | -63.1 | 0 | 0 | 0 | 111 | L12 R16 | L12-Y14 WeakPolarHBondContact O-CD2 3.24Å; L12-Y14 WeakPolarHBondContact O-CE2 2.99Å; L12-Y14 PolarHBondContact O-N 2.94Å; Y14-R16 PolarHBondContact O-N 3.21Å | ||
| 15 | F | 73 | Confident | 75.2 | Confident | 214 Ų | 214 | 136.9 Ų | 136.9 | 94% | 0.939 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -65.5 | -21.5 | 179.8 | -66.1 | -80 | 0 | 0 | 0 | 114.1 | ||
| 16 | R | 77.9 | Confident | 76.5 | Confident | 217 Ų | 217 | 135.5 Ų | 135.5 | 82% | 0.819 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -158.6 | 129.8 | 176 | -176.8 | 175.5 | 176.4 | 180 | -0.5 | 108.7 | Y14 M18 | Y14-R16 PolarHBondContact O-N 3.21Å; R16-M18 PolarHBondContact O-N 3.08Å |
| 17 | E | 76.2 | Confident | 77.2 | Confident | 150 Ų | 150 | 137.9 Ų | 137.9 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 119 | 169.4 | -71.3 | 174.3 | -167.5 | 0 | 0 | 109.1 | R11 | R11-E17 IonicContact NH1-OE1 3.9Š|
| 18 | M | 81.7 | Confident | 77.6 | Confident | 167 Ų | 167 | 139.9 Ų | 139.9 | 82% | 0.823 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 132.4 | 170.4 | -77.3 | -174.2 | 48.4 | 0 | 0 | 109.4 | R16 Y20 | R16-M18 PolarHBondContact O-N 3.08Å; M18-Y20 PolarHBondContact O-N 2.84Å |
| 19 | S | 82.8 | Confident | 78.5 | Confident | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -65 | 132.4 | 167 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | I21 | S19-I21 PolarHBondContact O-N 2.99Š|
| 20 | Y | 84.1 | Confident | 78.9 | Confident | 174 Ų | 174 | 136.3 Ų | 136.3 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131 | 168.9 | -60.3 | -92.4 | 0 | 0 | 0 | 108.9 | M18 T22 I23 | M18-Y20 PolarHBondContact O-N 2.84Å; Y20-T22 PolarHBondContact O-N 2.91Å; Y20-I23 HydrophobicContact CD2-CD1 3.59Å; Y20-I23 HydrophobicContact CD2-CG1 4.43Å; Y20-I23 HydrophobicContact CG-CD1 4.1Å; Y20-I23 PolarHBondContact O-N 2.85Å |
| 21 | I | 83.7 | Confident | 79.4 | Confident | 156 Ų | 156 | 133.7 Ų | 133.7 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -21.7 | 175.3 | 48 | 163.7 | 0 | 0 | 0 | 113 | S19 | S19-I21 PolarHBondContact O-N 2.99Š|
| 22 | T | 84.4 | Confident | 80 | Confident | 94 Ų | 94 | 136.6 Ų | 136.6 | 58% | 0.577 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -1.8 | -177.6 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | Y20 G24 D25 | Y20-T22 PolarHBondContact O-N 2.91Å; T22-G24 PolarHBondContact O-N 3.03Å; T22-G24 VanDerWaalsContact O-N 3.16Å; T22-D25 PolarHBondContact O-N 3.05Å |
| 23 | I | 80.9 | Confident | 80.6 | Confident | 128 Ų | 128 | 135.4 Ų | 135.4 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 108.6 | 177.1 | -71.9 | 164.2 | 0 | 0 | 0 | 109 | Y20 | Y20-I23 HydrophobicContact CD2-CD1 3.59Å; Y20-I23 HydrophobicContact CD2-CG1 4.43Å; Y20-I23 HydrophobicContact CG-CD1 4.1Å; Y20-I23 PolarHBondContact O-N 2.85Å |
| 24 | G | 83.3 | Confident | 80.9 | Confident | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.1 | -15 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T22 | T22-G24 PolarHBondContact O-N 3.03Å; T22-G24 VanDerWaalsContact O-N 3.16Å |
| 25 | D | 85.1 | Confident | 81.3 | Confident | 117 Ų | 117 | 134.8 Ų | 134.8 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122.9 | 174.5 | -77.1 | -11.2 | 0 | 0 | 0 | 109.8 | T22 Y27 | T22-D25 PolarHBondContact O-N 3.05Å; D25-Y27 PolarHBondContact O-N 3.24Å |
| 26 | P | 85.4 | Confident | 81.9 | Confident | 107 Ų | 107 | 128.7 Ų | 128.7 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 129.2 | 175.2 | 26.3 | -32.3 | 0 | 0 | 0 | 109.6 | I28 | P26-I28 PolarHBondContact O-N 3.23Å; P26-I28 VanDerWaalsContact O-N 3.15Å |
| 27 | Y | 83.4 | Confident | 82.1 | Confident | 186 Ų | 186 | 122.9 Ų | 122.9 | 73% | 0.729 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117.6 | 172.9 | 174.6 | -101 | 0 | 0 | 0 | 110.1 | D25 D29 | D25-Y27 PolarHBondContact O-N 3.24Å; Y27-D29 HydrophobicContact CD1-CB 4.46Å; Y27-D29 HydrophobicContact CE1-CB 3.9Å |
| 28 | I | 80.8 | Confident | 82.6 | Confident | 126 Ų | 126 | 121.8 Ų | 121.8 | 65% | 0.646 | 65% | 0.649 | S | S | * | * | trans | -88.8 | 110.1 | 171.1 | -54.6 | 173.9 | 0 | 0 | 0 | 107.1 | P26 L30 | P26-I28 PolarHBondContact O-N 3.23Å; P26-I28 VanDerWaalsContact O-N 3.15Å; I28-L30 PolarHBondContact O-N 3.26Å | ||
| 29 | D | 84 | Confident | 82.7 | Confident | 64 Ų | 64 | 116.5 Ų | 116.5 | 34% | 0.342 | 63% | 0.628 | S | S | . | * | trans | -61.6 | 116.8 | 175.5 | -175.2 | 2 | 0 | 0 | 0 | 109.9 | Y27 G31 K32 F33 | Y27-D29 HydrophobicContact CD1-CB 4.46Å; Y27-D29 HydrophobicContact CE1-CB 3.9Å; D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.12Å; D29-G31 PolarHBondContact OD1-N 3.22Å; D29-K32 HydrophobicContact CB-CB 4.18Å; D29-K32 HydrophobicContact CB-CD 4.11Å; D29-K32 HydrophobicContact CB-CG 4.01Å; D29-K32 WeakPolarHBondContact O-CA 3.42Å; D29-K32 PolarHBondContact O-N 3.45Å; D29-F33 PolarHBondContact O-N 2.87Å | ||
| 30 | L | 81 | Confident | 82.5 | Confident | 148 Ų | 148 | 116.2 Ų | 116.2 | 78% | 0.775 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -26.4 | 177.3 | -71.1 | 165.4 | 0 | 0 | 0 | 111.7 | I28 K32 | I28-L30 PolarHBondContact O-N 3.26Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.86Å |
| 31 | G | 81.6 | Confident | 82.5 | Confident | 71 Ų | 71 | 114.6 Ų | 114.6 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -19.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D29 | D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.12Å; D29-G31 PolarHBondContact OD1-N 3.22Å |
| 32 | K | 79.7 | Confident | 82.7 | Confident | 162 Ų | 162 | 109.9 Ų | 109.9 | 70% | 0.704 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -5.4 | 177.1 | -64.2 | -176.4 | -174.8 | 178.4 | 0 | 113.3 | D29 L30 V34 | D29-K32 HydrophobicContact CB-CB 4.18Å; D29-K32 HydrophobicContact CB-CD 4.11Å; D29-K32 HydrophobicContact CB-CG 4.01Å; D29-K32 WeakPolarHBondContact O-CA 3.42Å; D29-K32 PolarHBondContact O-N 3.45Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.86Å; K32-V34 PolarHBondContact O-N 3.11Å |
| 33 | F | 79.7 | Confident | 82.9 | Confident | 132 Ų | 132 | 114.5 Ų | 114.5 | 58% | 0.579 | 62% | 0.623 | S | S | * | * | trans | -70.8 | 101.9 | 175.4 | -179.2 | -101.7 | 0 | 0 | 0 | 109.7 | D29 F35 | D29-F33 PolarHBondContact O-N 2.87Å; F33-F35 HydrophobicContact CD1-CB 4.49Å; F33-F35 HydrophobicContact CE1-CB 3.83Å; F33-F35 HydrophobicContact CE1-CD2 4.44Å; F33-F35 HydrophobicContact CZ-CB 4.42Å; F33-F35 HydrophobicContact CZ-CD2 4.41Å | ||
| 34 | V | 77.6 | Confident | 83.3 | Confident | 79 Ų | 79 | 114.2 Ų | 114.2 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | trans | -95.8 | 101.9 | 173.8 | -168.4 | 0 | 0 | 0 | 0 | 108.7 | K32 N36 E37 | K32-V34 PolarHBondContact O-N 3.11Å; V34-N36 PolarHBondContact O-N 3.03Å; V34-E37 HydrophobicContact CB-CG 3.63Å; V34-E37 HydrophobicContact CG1-CB 4.43Å; V34-E37 HydrophobicContact CG1-CG 3.45Å; V34-E37 VanDerWaalsContact CG1-CG 3.45Å | ||
| 35 | F | 81 | Confident | 83.6 | Confident | 163 Ų | 163 | 119 Ų | 119 | 72% | 0.715 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 127.4 | 171.1 | -179.5 | -104.8 | 0 | 0 | 0 | 109.8 | F33 | F33-F35 HydrophobicContact CD1-CB 4.49Å; F33-F35 HydrophobicContact CE1-CB 3.83Å; F33-F35 HydrophobicContact CE1-CD2 4.44Å; F33-F35 HydrophobicContact CZ-CB 4.42Å; F33-F35 HydrophobicContact CZ-CD2 4.41Å |
| 36 | N | 84.9 | Confident | 83.8 | Confident | 85 Ų | 85 | 123.1 Ų | 123.1 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 57.1 | 56 | 173.8 | -164.5 | 5.4 | 0 | 0 | 0 | 113.8 | V34 D38 S39 | V34-N36 PolarHBondContact O-N 3.03Å; N36-D38 PolarHBondContact O-N 3.07Å; N36-D38 VanDerWaalsContact O-N 3.08Å; N36-S39 WeakPolarHBondContact ND2-CB 3.37Å; N36-S39 WeakPolarHBondContact O-CB 3.42Å; N36-S39 PolarHBondContact O-N 3.19Å; N36-S39 PolarHBondContact O-OG 2.92Å; N36-S39 PolarHBondContact OD1-N 2.75Å |
| 37 | E | 83.7 | Confident | 83.9 | Confident | 96 Ų | 96 | 121.5 Ų | 121.5 | 45% | 0.449 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -49.3 | -35.2 | 177.7 | -80.1 | -165.9 | -167.1 | 0 | 0 | 113.9 | V34 S39 C40 K41 | V34-E37 HydrophobicContact CB-CG 3.63Å; V34-E37 HydrophobicContact CG1-CB 4.43Å; V34-E37 HydrophobicContact CG1-CG 3.45Å; V34-E37 VanDerWaalsContact CG1-CG 3.45Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.01Å; E37-C40 PolarHBondContact O-N 3.08Å; E37-K41 PolarHBondContact O-N 2.99Å; E37-K41 IonicContact OE2-NZ 2.76Å; E37-K41 PolarHBondContact OE2-NZ 3.06Å |
| 38 | D | 85.6 | Confident | 83.9 | Confident | 127 Ų | 127 | 121 Ų | 121 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.1 | -29.7 | -178.4 | -64.2 | -24.6 | 0 | 0 | 0 | 112 | N36 C40 K41 | N36-D38 PolarHBondContact O-N 3.07Å; N36-D38 VanDerWaalsContact O-N 3.08Å; D38-C40 VanDerWaalsContact C-N 3.26Å; D38-C40 PolarHBondContact O-N 3.46Å; D38-K41 CarbonylContact O-C 3.6Å; D38-K41 PolarHBondContact O-N 3.49Å; D38-K41 VanDerWaalsContact O-N 3.14Å |
| 39 | S | 84.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 120 Ų | 120 | 39% | 0.392 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.8 | -27.5 | 176.1 | 69 | 0 | 0 | 0 | 0 | 113.4 | N36 E37 Q44 | N36-S39 WeakPolarHBondContact ND2-CB 3.37Å; N36-S39 WeakPolarHBondContact O-CB 3.42Å; N36-S39 PolarHBondContact O-N 3.19Å; N36-S39 PolarHBondContact O-OG 2.92Å; N36-S39 PolarHBondContact OD1-N 2.75Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.01Å; S39-Q44 PolarHBondContact O-NE2 2.91Å |
| 40 | C | 79.1 | Confident | 83.8 | Confident | 96 Ų | 96 | 122.9 Ų | 122.9 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.3 | -20.3 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | E37 D38 | E37-C40 PolarHBondContact O-N 3.08Å; D38-C40 VanDerWaalsContact C-N 3.26Å; D38-C40 PolarHBondContact O-N 3.46Å |
| 41 | K | 84.2 | Confident | 83.7 | Confident | 139 Ų | 139 | 121.8 Ų | 121.8 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -103.8 | 91.5 | -175 | -64.7 | 173.8 | -167.6 | 163.3 | 0 | 110 | E37 D38 | E37-K41 PolarHBondContact O-N 2.99Å; E37-K41 IonicContact OE2-NZ 2.76Å; E37-K41 PolarHBondContact OE2-NZ 3.06Å; D38-K41 CarbonylContact O-C 3.6Å; D38-K41 PolarHBondContact O-N 3.49Å; D38-K41 VanDerWaalsContact O-N 3.14Å |
| 42 | G | 87.2 | Confident | 83.4 | Confident | 57 Ų | 57 | 123.6 Ų | 123.6 | 59% | 0.588 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 160.7 | 179.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q44 | G42-Q44 PolarHBondContact O-N 3.5Š|
| 43 | K | 89.2 | Confident | 83.2 | Confident | 192 Ų | 192 | 125.4 Ų | 125.4 | 84% | 0.835 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -71 | 120 | 169.3 | -73 | -175.8 | 179.9 | 179 | 0 | 108.7 | ||
| 44 | Q | 88.3 | Confident | 83 | Confident | 122 Ų | 122 | 121.8 Ų | 121.8 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 158.9 | 173.3 | -61.4 | -59.8 | -30.2 | 0 | 0 | 110.8 | S39 G42 Y46 | S39-Q44 PolarHBondContact O-NE2 2.91Å; G42-Q44 PolarHBondContact O-N 3.5Å; Q44-Y46 PolarHBondContact O-N 2.89Å |
| 45 | L | 90.6 | Very high | 82.8 | Confident | 174 Ų | 174 | 122.2 Ų | 122.2 | 91% | 0.911 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.5 | 170 | -66.4 | 174.7 | 0 | 0 | 0 | 109.2 | G47 | L45-G47 PolarHBondContact O-N 2.95Š|
| 46 | Y | 88.3 | Confident | 82.8 | Confident | 204 Ų | 204 | 119.9 Ų | 119.9 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 124.6 | 173.1 | -67.2 | -76.3 | 0 | 0 | 0 | 109.3 | Q44 | Q44-Y46 PolarHBondContact O-N 2.89Š|
| 47 | G | 86.7 | Confident | 82.7 | Confident | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 147 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L45 S49 | L45-G47 PolarHBondContact O-N 2.95Å; G47-S49 PolarHBondContact O-N 3.29Å |
| 48 | I | 83.8 | Confident | 82.5 | Confident | 175 Ų | 175 | 120 Ų | 120 | 90% | 0.897 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -77 | 117 | 171.8 | -60.3 | 166.9 | 0 | 0 | 0 | 107.4 | ||
| 49 | S | 81 | Confident | 82.2 | Confident | 106 Ų | 106 | 116.2 Ų | 116.2 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 133.2 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | G47 | G47-S49 PolarHBondContact O-N 3.29Š|
| 50 | T | 81.4 | Confident | 82.1 | Confident | 124 Ų | 124 | 121.1 Ų | 121.1 | 76% | 0.761 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 121.6 | 176.5 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | S52 | T50-S52 PolarHBondContact O-N 2.87Š|
| 51 | K | 79.7 | Confident | 82.5 | Confident | 125 Ų | 125 | 127.1 Ų | 127.1 | 54% | 0.543 | 70% | 0.695 | S | S | . | * | trans | -80.6 | 97.2 | 172.4 | -61.2 | -175.2 | -173 | -175.5 | 0 | 109.7 | C54 D58 | K51-C54 HydrophobicContact CB-CB 4.44Å; K51-D58 HydrophobicContact CD-CB 4.11Å; K51-D58 IonicContact NZ-OD2 2.76Å; K51-D58 PolarHBondContact NZ-OD2 3.15Å | ||
| 52 | S | 74.9 | Confident | 82.5 | Confident | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -77.8 | -21.3 | -179.7 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | T50 | T50-S52 PolarHBondContact O-N 2.87Š|
| 53 | K | 75.5 | Confident | 82.4 | Confident | 200 Ų | 200 | 127.2 Ų | 127.2 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -134 | 83.7 | -177 | -64.4 | -179.8 | -176.7 | 177.3 | 0 | 110 | ||
| 54 | C | 75 | Confident | 82 | Confident | 56 Ų | 56 | 125.4 Ų | 125.4 | 38% | 0.378 | 69% | 0.686 | S | S | . | * | trans | -135.8 | 135.4 | 171.6 | -162.1 | 0 | 0 | 0 | 0 | 109.6 | K51 L56 | K51-C54 HydrophobicContact CB-CB 4.44Å; C54-L56 VanDerWaalsContact C-N 3.25Å | ||
| 55 | G | 74.5 | Confident | 81.6 | Confident | 88 Ų | 88 | 125.8 Ų | 125.8 | 91% | 0.907 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -84.2 | -1.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 56 | L | 81.1 | Confident | 81.1 | Confident | 113 Ų | 113 | 125 Ų | 125 | 59% | 0.592 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -97.5 | 162.4 | 176.6 | -56.9 | 172.5 | 0 | 0 | 0 | 110 | C54 D58 | C54-L56 VanDerWaalsContact C-N 3.25Å; L56-D58 PolarHBondContact O-N 3.23Å |
| 57 | N | 81.6 | Confident | 80.8 | Confident | 85 Ų | 85 | 122.1 Ų | 122.1 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -74.4 | 0.5 | -177.8 | -72 | -21.1 | 0 | 0 | 0 | 114.4 | G59 Y60 | N57-G59 PolarHBondContact O-N 3.01Å; N57-Y60 PolarHBondContact O-N 3.49Å; N57-Y60 VanDerWaalsContact O-N 3.09Å |
| 58 | D | 81 | Confident | 80.4 | Confident | 98 Ų | 98 | 124.7 Ų | 124.7 | 52% | 0.524 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -55 | -22 | -176.4 | -65.7 | 10.7 | 0 | 0 | 0 | 115.5 | K51 L56 | K51-D58 HydrophobicContact CD-CB 4.11Å; K51-D58 IonicContact NZ-OD2 2.76Å; K51-D58 PolarHBondContact NZ-OD2 3.15Å; L56-D58 PolarHBondContact O-N 3.23Å |
| 59 | G | 79.8 | Confident | 80.1 | Confident | 49 Ų | 49 | 122.6 Ų | 122.6 | 51% | 0.505 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -89.6 | -7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N57 | N57-G59 PolarHBondContact O-N 3.01Š|
| 60 | Y | 81.9 | Confident | 80.1 | Confident | 159 Ų | 159 | 121.6 Ų | 121.6 | 62% | 0.624 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -101.3 | 142.9 | -178.3 | -59.4 | -80 | 0 | 0 | 0 | 110.6 | N57 T62 | N57-Y60 PolarHBondContact O-N 3.49Å; N57-Y60 VanDerWaalsContact O-N 3.09Å; Y60-T62 WeakPolarHBondContact CB-O 3.4Å; Y60-T62 PolarHBondContact O-N 2.78Å |
| 61 | F | 85.9 | Confident | 80.2 | Confident | 221 Ų | 221 | 121.9 Ų | 121.9 | 97% | 0.969 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -67.1 | -17.2 | 176.1 | -66.6 | -74.2 | 0 | 0 | 0 | 113.4 | ||
| 62 | T | 86.3 | Confident | 80.2 | Confident | 101 Ų | 101 | 120.7 Ų | 120.7 | 62% | 0.62 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -137.6 | 146.5 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | Y60 Y64 | Y60-T62 WeakPolarHBondContact CB-O 3.4Å; Y60-T62 PolarHBondContact O-N 2.78Å; T62-Y64 PolarHBondContact O-N 3.03Å |
| 63 | P | 83.8 | Confident | 80.6 | Confident | 97 Ų | 97 | 125.2 Ų | 125.2 | 63% | 0.63 | 66% | 0.663 | S | S | * | * | trans | -57.8 | 137.8 | 173.3 | 25.8 | -33.6 | 0 | 0 | 0 | 109.9 | N65 | P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | Y | 80.2 | Confident | 81 | Confident | 154 Ų | 154 | 119.9 Ų | 119.9 | 60% | 0.604 | 65% | 0.647 | S | S | * | * | trans | -67.6 | 110 | 177.7 | 177.7 | -101 | 0 | 0 | 0 | 110.1 | T62 R66 | T62-Y64 PolarHBondContact O-N 3.03Å; Y64-R66 HydrophobicContact CD1-CB 4.35Å; Y64-R66 HydrophobicContact CE1-CB 3.77Å; Y64-R66 PolarHBondContact O-N 3.22Å | ||
| 65 | N | 80.1 | Confident | 81.7 | Confident | 130 Ų | 130 | 120 Ų | 120 | 70% | 0.695 | 64% | 0.644 | S | S | * | * | trans | -86.1 | 104.8 | 172.1 | -68.2 | -21.2 | 0 | 0 | 0 | 108.7 | P63 L67 | P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.08Å; N65-L67 PolarHBondContact O-N 3Å | ||
| 66 | R | 80.9 | Confident | 82.5 | Confident | 159 Ų | 159 | 121 Ų | 121 | 60% | 0.6 | 63% | 0.627 | S | S | * | * | trans | -67.7 | 118 | 172.6 | 173 | -179.8 | -172.8 | 164.2 | 2.6 | 108.5 | Y64 F68 I69 | Y64-R66 HydrophobicContact CD1-CB 4.35Å; Y64-R66 HydrophobicContact CE1-CB 3.77Å; Y64-R66 PolarHBondContact O-N 3.22Å; R66-F68 PolarHBondContact O-N 3.47Å; R66-F68 VanDerWaalsContact O-N 3.1Å; R66-I69 HydrophobicContact CB-CD1 3.7Å; R66-I69 HydrophobicContact CB-CG1 3.7Å; R66-I69 HydrophobicContact CG-CD1 4.5Å; R66-I69 HydrophobicContact CG-CG1 3.96Å; R66-I69 WeakPolarHBondContact O-CG1 3.45Å; R66-I69 PolarHBondContact O-N 2.91Å | ||
| 67 | L | 81.1 | Confident | 83.1 | Confident | 142 Ų | 142 | 120.3 Ų | 120.3 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -33.1 | -176.7 | -65.9 | 170.4 | 0 | 0 | 0 | 113.4 | N65 | N65-L67 PolarHBondContact O-N 3Š|
| 68 | F | 79.5 | Confident | 83.6 | Confident | 128 Ų | 128 | 122.3 Ų | 122.3 | 56% | 0.561 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 18.8 | -173.4 | -54 | -68.6 | 0 | 0 | 0 | 114.1 | R66 G70 E71 | R66-F68 PolarHBondContact O-N 3.47Å; R66-F68 VanDerWaalsContact O-N 3.1Å; F68-G70 PolarHBondContact O-N 2.92Å; F68-E71 VanDerWaalsContact CD1-OE2 3.26Å; F68-E71 WeakPolarHBondContact CD1-OE2 3.4Å; F68-E71 PolarHBondContact O-N 2.79Å |
| 69 | I | 77.3 | Confident | 84.2 | Confident | 131 Ų | 131 | 120.6 Ų | 120.6 | 67% | 0.672 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 119 | 173.7 | -66.9 | 167.6 | 0 | 0 | 0 | 108.3 | R66 E71 | R66-I69 HydrophobicContact CB-CD1 3.7Å; R66-I69 HydrophobicContact CB-CG1 3.7Å; R66-I69 HydrophobicContact CG-CD1 4.5Å; R66-I69 HydrophobicContact CG-CG1 3.96Å; R66-I69 WeakPolarHBondContact O-CG1 3.45Å; R66-I69 PolarHBondContact O-N 2.91Å; I69-E71 VanDerWaalsContact C-N 3.35Å |
| 70 | G | 80.9 | Confident | 85 | Confident | 84 Ų | 84 | 124.3 Ų | 124.3 | 87% | 0.866 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | -9.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F68 | F68-G70 PolarHBondContact O-N 2.92Š|
| 71 | E | 83.3 | Confident | 85.6 | Confident | 130 Ų | 130 | 121.4 Ų | 121.4 | 61% | 0.607 | 62% | 0.616 | S | S | * | * | trans | -88.8 | 123.8 | 172.3 | -62.3 | -169.9 | 175 | 0 | 0 | 109.9 | F68 I69 | F68-E71 VanDerWaalsContact CD1-OE2 3.26Å; F68-E71 WeakPolarHBondContact CD1-OE2 3.4Å; F68-E71 PolarHBondContact O-N 2.79Å; I69-E71 VanDerWaalsContact C-N 3.35Å | ||
| 72 | S | 79.4 | Confident | 86.1 | Confident | 100 Ų | 100 | 115 Ų | 115 | 70% | 0.699 | 59% | 0.589 | S | S | * | * | trans | -80.1 | 144 | 169.9 | 63.9 | 0 | 0 | 0 | 0 | 109.7 | T74 | S72-T74 PolarHBondContact O-N 2.95Å; S72-T74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | Y | 84.1 | Confident | 86.6 | Confident | 205 Ų | 205 | 115.1 Ų | 115.1 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | trans | -63.8 | 114.1 | 173.9 | 173 | -101.8 | 0 | 0 | 0 | 109.9 | D75 | Y73-D75 HydrophobicContact CE1-CB 3.96Š| ||
| 74 | T | 83.8 | Confident | 87.1 | Confident | 88 Ų | 88 | 118.6 Ų | 118.6 | 54% | 0.54 | 58% | 0.583 | S | S | . | * | trans | -97.6 | 112.3 | 175.8 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | S72 M76 | S72-T74 PolarHBondContact O-N 2.95Å; S72-T74 VanDerWaalsContact O-N 3.11Å; T74-M76 PolarHBondContact O-N 2.79Å | ||
| 75 | D | 88.9 | Confident | 87.7 | Confident | 58 Ų | 58 | 115.1 Ų | 115.1 | 31% | 0.31 | 58% | 0.575 | S | S | . | * | trans | -79.8 | 104.1 | 173.8 | -171.7 | -14.3 | 0 | 0 | 0 | 110.9 | Y73 T77 K78 I79 | Y73-D75 HydrophobicContact CE1-CB 3.96Å; D75-T77 VanDerWaalsContact CG-OG1 3.23Å; D75-T77 PolarHBondContact O-N 3.18Å; D75-T77 WeakPolarHBondContact OD1-CB 3.41Å; D75-T77 PolarHBondContact OD1-N 2.69Å; D75-T77 PolarHBondContact OD1-OG1 2.6Å; D75-T77 PolarHBondContact OD2-OG1 3.01Å; D75-K78 HydrophobicContact CB-CB 4.01Å; D75-K78 WeakPolarHBondContact O-CB 3.3Å; D75-K78 PolarHBondContact O-N 3.46Å; D75-K78 VanDerWaalsContact O-N 3.1Å; D75-I79 PolarHBondContact O-N 3.38Å; D75-I79 VanDerWaalsContact O-N 3.1Å | ||
| 76 | M | 91.7 | Very high | 88.4 | Confident | 109 Ų | 109 | 115 Ų | 115 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.7 | -26.6 | 178.7 | -64.8 | -58.9 | -63.4 | 0 | 0 | 113 | T74 I79 K80 | T74-M76 PolarHBondContact O-N 2.79Å; M76-I79 HydrophobicContact SD-CD1 4.17Å; M76-K80 WeakPolarHBondContact O-CB 2.77Å; M76-K80 VanDerWaalsContact O-CG 3.28Å; M76-K80 WeakPolarHBondContact O-CG 3.43Å; M76-K80 PolarHBondContact O-N 3.5Å |
| 77 | T | 93 | Very high | 88.9 | Confident | 98 Ų | 98 | 113.2 Ų | 113.2 | 60% | 0.601 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.8 | -39.3 | 177.7 | 69.3 | 0 | 0 | 0 | 0 | 111 | D75 H81 | D75-T77 VanDerWaalsContact CG-OG1 3.23Å; D75-T77 PolarHBondContact O-N 3.18Å; D75-T77 WeakPolarHBondContact OD1-CB 3.41Å; D75-T77 PolarHBondContact OD1-N 2.69Å; D75-T77 PolarHBondContact OD1-OG1 2.6Å; D75-T77 PolarHBondContact OD2-OG1 3.01Å; T77-H81 WeakPolarHBondContact O-CB 3.3Å; T77-H81 PolarHBondContact O-N 2.89Å |
| 78 | K | 93.3 | Very high | 89.2 | Confident | 127 Ų | 127 | 113.7 Ų | 113.7 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.1 | -46.3 | 174.8 | -170.1 | -178.5 | 176.9 | -173.6 | 0 | 111.2 | D75 K80 H81 E82 | D75-K78 HydrophobicContact CB-CB 4.01Å; D75-K78 WeakPolarHBondContact O-CB 3.3Å; D75-K78 PolarHBondContact O-N 3.46Å; D75-K78 VanDerWaalsContact O-N 3.1Å; K78-K80 PolarHBondContact O-N 3.36Å; K78-H81 WeakPolarHBondContact O-CB 3.49Å; K78-H81 PolarHBondContact O-N 2.82Å; K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact O-CG 3.3Å; K78-E82 PolarHBondContact O-N 3.02Å |
| 79 | I | 93.8 | Very high | 89.6 | Confident | 62 Ų | 62 | 114 Ų | 114 | 32% | 0.318 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.1 | -50.3 | 177.1 | -65 | 170.5 | 0 | 0 | 0 | 110.7 | D75 M76 H81 E82 E83 | D75-I79 PolarHBondContact O-N 3.38Å; D75-I79 VanDerWaalsContact O-N 3.1Å; M76-I79 HydrophobicContact SD-CD1 4.17Å; I79-H81 VanDerWaalsContact C-N 3.28Å; I79-H81 PolarHBondContact O-N 3.04Å; I79-E82 PolarHBondContact O-N 3.46Å; I79-E83 WeakPolarHBondContact O-CG 3.08Å; I79-E83 PolarHBondContact O-N 3.16Å |
| 80 | K | 95.8 | Very high | 90.1 | Very high | 128 Ų | 128 | 116.2 Ų | 116.2 | 56% | 0.557 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.5 | -34.9 | 177.8 | -74 | 177.5 | 179.6 | -177 | 0 | 113 | M76 K78 R84 | M76-K80 WeakPolarHBondContact O-CB 2.77Å; M76-K80 VanDerWaalsContact O-CG 3.28Å; M76-K80 WeakPolarHBondContact O-CG 3.43Å; M76-K80 PolarHBondContact O-N 3.5Å; K78-K80 PolarHBondContact O-N 3.36Å; K80-R84 WeakPolarHBondContact O-CB 3.37Å; K80-R84 PolarHBondContact O-N 3.13Å |
| 81 | H | 95.1 | Very high | 90.1 | Very high | 98 Ų | 98 | 117.8 Ų | 117.8 | 45% | 0.454 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.6 | -44.9 | 176.2 | -178.1 | 67.1 | 0 | 0 | 0 | 111.6 | T77 K78 I79 E83 R84 L85 | T77-H81 WeakPolarHBondContact O-CB 3.3Å; T77-H81 PolarHBondContact O-N 2.89Å; K78-H81 WeakPolarHBondContact O-CB 3.49Å; K78-H81 PolarHBondContact O-N 2.82Å; I79-H81 VanDerWaalsContact C-N 3.28Å; I79-H81 PolarHBondContact O-N 3.04Å; H81-E83 VanDerWaalsContact C-N 3.34Å; H81-E83 PolarHBondContact O-N 3.03Å; H81-R84 PolarHBondContact O-N 3.05Å; H81-L85 WeakPolarHBondContact NE2-CD1 3.23Å; H81-L85 WeakPolarHBondContact O-CG 3.49Å; H81-L85 PolarHBondContact O-N 3.3Å |
| 82 | E | 96 | Very high | 89.6 | Confident | 85 Ų | 85 | 113.7 Ų | 113.7 | 40% | 0.397 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62 | -40.9 | 175.7 | -71.4 | 177.1 | -169.8 | 0 | 0 | 111.9 | K78 I79 L85 K86 | K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact O-CG 3.3Å; K78-E82 PolarHBondContact O-N 3.02Å; I79-E82 PolarHBondContact O-N 3.46Å; E82-L85 PolarHBondContact O-N 3.42Å; E82-K86 WeakPolarHBondContact O-CG 3.17Å; E82-K86 PolarHBondContact O-N 3.28Å |
| 83 | E | 96.3 | Very high | 89.3 | Confident | 105 Ų | 105 | 116.1 Ų | 116.1 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.9 | -49.3 | 173 | -73.1 | 173.7 | 164.8 | 0 | 0 | 111.7 | I79 H81 L85 K86 E87 | I79-E83 WeakPolarHBondContact O-CG 3.08Å; I79-E83 PolarHBondContact O-N 3.16Å; H81-E83 VanDerWaalsContact C-N 3.34Å; H81-E83 PolarHBondContact O-N 3.03Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.48Å; E83-K86 WeakPolarHBondContact O-CB 3.48Å; E83-K86 PolarHBondContact O-N 3.06Å; E83-K86 VanDerWaalsContact O-N 3.12Å; E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 2.86Å |
| 84 | R | 94 | Very high | 88.7 | Confident | 170 Ų | 170 | 113.3 Ų | 113.3 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.6 | -38.6 | 177.4 | -173.3 | -176.2 | -65.6 | 155.2 | 0.3 | 112.3 | K80 H81 E87 K88 | K80-R84 WeakPolarHBondContact O-CB 3.37Å; K80-R84 PolarHBondContact O-N 3.13Å; H81-R84 PolarHBondContact O-N 3.05Å; R84-E87 PolarHBondContact O-N 3.47Å; R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 PolarHBondContact O-N 3.29Å |
| 85 | L | 93.2 | Very high | 88.2 | Confident | 80 Ų | 80 | 112.8 Ų | 112.8 | 42% | 0.419 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -43.4 | 175.3 | -73 | 176.9 | 0 | 0 | 0 | 111.6 | H81 E82 E83 E87 K88 I89 | H81-L85 WeakPolarHBondContact NE2-CD1 3.23Å; H81-L85 WeakPolarHBondContact O-CG 3.49Å; H81-L85 PolarHBondContact O-N 3.3Å; E82-L85 PolarHBondContact O-N 3.42Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.48Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.44Å; L85-K88 PolarHBondContact O-N 2.95Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 2.97Å |
| 86 | K | 94.5 | Very high | 87.6 | Confident | 128 Ų | 128 | 118.2 Ų | 118.2 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.9 | -40.9 | 174.9 | -72.9 | 170.9 | -175.8 | 170.9 | 0 | 111.6 | E82 E83 I89 K90 | E82-K86 WeakPolarHBondContact O-CG 3.17Å; E82-K86 PolarHBondContact O-N 3.28Å; E83-K86 WeakPolarHBondContact O-CB 3.48Å; E83-K86 PolarHBondContact O-N 3.06Å; E83-K86 VanDerWaalsContact O-N 3.12Å; K86-I89 PolarHBondContact O-N 3.5Å; K86-K90 VanDerWaalsContact O-CG 3.3Å; K86-K90 WeakPolarHBondContact O-CG 3.26Å; K86-K90 PolarHBondContact O-N 2.84Å |
| 87 | E | 91.3 | Very high | 86.7 | Confident | 122 Ų | 122 | 120 Ų | 120 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.9 | -48.2 | 174.1 | -72.5 | 177.3 | 169.4 | 0 | 0 | 111.6 | E83 R84 L85 I89 K90 E91 | E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 2.86Å; R84-E87 PolarHBondContact O-N 3.47Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.44Å; E87-I89 VanDerWaalsContact C-N 3.25Å; E87-I89 PolarHBondContact O-N 2.94Å; E87-K90 WeakPolarHBondContact O-CA 3.39Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 3.02Å; E87-E91 WeakPolarHBondContact O-CG 3.3Å; E87-E91 PolarHBondContact O-N 3.27Å |
| 88 | K | 87.4 | Confident | 85.9 | Confident | 151 Ų | 151 | 119 Ų | 119 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.8 | -35.3 | 177.6 | -169.6 | 177.7 | -178.8 | -179.4 | 0 | 112.7 | R84 L85 | R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 PolarHBondContact O-N 3.29Å; L85-K88 PolarHBondContact O-N 2.95Å |
| 89 | I | 88.6 | Confident | 84.9 | Confident | 136 Ų | 136 | 119.4 Ų | 119.4 | 70% | 0.697 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.2 | -42.1 | 174 | -67.9 | 164.4 | 0 | 0 | 0 | 110.7 | L85 K86 E87 E91 G92 | L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 2.97Å; K86-I89 PolarHBondContact O-N 3.5Å; E87-I89 VanDerWaalsContact C-N 3.25Å; E87-I89 PolarHBondContact O-N 2.94Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.78Å; I89-G92 PolarHBondContact O-N 2.84Å |
| 90 | K | 87.8 | Confident | 83.8 | Confident | 177 Ų | 177 | 120 Ų | 120 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.1 | -34.8 | 177.1 | -74.5 | 173.8 | -177.9 | -179 | 0 | 113 | K86 E87 G92 | K86-K90 VanDerWaalsContact O-CG 3.3Å; K86-K90 WeakPolarHBondContact O-CG 3.26Å; K86-K90 PolarHBondContact O-N 2.84Å; E87-K90 WeakPolarHBondContact O-CA 3.39Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 3.02Å; K90-G92 PolarHBondContact O-N 3.16Å |
| 91 | E | 80.5 | Confident | 82.5 | Confident | 116 Ų | 116 | 117 Ų | 117 | 54% | 0.542 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.3 | -17.8 | 177.4 | -69.4 | -158.6 | 113.4 | 0 | 0 | 113.3 | E87 I89 K94 | E87-E91 WeakPolarHBondContact O-CG 3.3Å; E87-E91 PolarHBondContact O-N 3.27Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.78Å; E91-K94 IonicContact OE1-NZ 2.87Å; E91-K94 PolarHBondContact OE1-NZ 2.84Å |
| 92 | G | 73.3 | Confident | 81.1 | Confident | 45 Ų | 45 | 118 Ų | 118 | 46% | 0.464 | 63% | 0.634 | S | S | . | * | trans | 63.2 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I89 K90 K94 | I89-G92 PolarHBondContact O-N 2.84Å; K90-G92 PolarHBondContact O-N 3.16Å; G92-K94 VanDerWaalsContact C-N 3.26Å; G92-K94 PolarHBondContact O-N 2.93Å | ||
| 93 | V | 73.9 | Confident | 79.6 | Confident | 151 Ų | 151 | 122.5 Ų | 122.5 | 92% | 0.915 | 65% | 0.652 | S | S | * | * | trans | -74.8 | 83.8 | 171.5 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | A95 | V93-A95 PolarHBondContact O-N 2.94Å; V93-A95 VanDerWaalsContact O-N 3.15Å | ||
| 94 | K | 70.9 | Confident | 78.1 | Confident | 146 Ų | 146 | 125.9 Ų | 125.9 | 64% | 0.635 | 67% | 0.668 | S | S | * | * | trans | -61.5 | 116.4 | 164.4 | -76.3 | 175.4 | -175.8 | 164.5 | 0 | 106.8 | E91 G92 F96 | E91-K94 IonicContact OE1-NZ 2.87Å; E91-K94 PolarHBondContact OE1-NZ 2.84Å; G92-K94 VanDerWaalsContact C-N 3.26Å; G92-K94 PolarHBondContact O-N 2.93Å; K94-F96 PolarHBondContact O-N 2.9Å | ||
| 95 | A | 73.9 | Confident | 76.6 | Confident | 77 Ų | 77 | 126.4 Ų | 126.4 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | trans | -53.7 | 128.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V93 L97 | V93-A95 PolarHBondContact O-N 2.94Å; V93-A95 VanDerWaalsContact O-N 3.15Å; A95-L97 PolarHBondContact O-N 2.88Å | ||
| 96 | F | 76.3 | Confident | 74.9 | Confident | 172 Ų | 172 | 127.8 Ų | 127.8 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -59.6 | 112.5 | 175 | 173.2 | -99 | 0 | 0 | 0 | 108.4 | K94 P98 | K94-F96 PolarHBondContact O-N 2.9Å; F96-P98 HydrophobicContact CE1-CB 3.95Å; F96-P98 HydrophobicContact CZ-CB 4.49Å | ||
| 97 | L | 72.4 | Confident | 73.2 | Confident | 147 Ų | 147 | 124.3 Ų | 124.3 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -93.9 | 112.6 | 170.2 | -67.2 | 172.9 | 0 | 0 | 0 | 106.6 | A95 | A95-L97 PolarHBondContact O-N 2.88Š| ||
| 98 | P | 76.8 | Confident | 71.3 | Confident | 77 Ų | 77 | 124.8 Ų | 124.8 | 50% | 0.5 | 71% | 0.706 | S | S | . | * | trans | -56.5 | 137.6 | 174.6 | 23 | -31.8 | 0 | 0 | 0 | 109.3 | F96 S100 | F96-P98 HydrophobicContact CE1-CB 3.95Å; F96-P98 HydrophobicContact CZ-CB 4.49Å; P98-S100 PolarHBondContact O-N 2.75Å | ||
| 99 | P | 70.8 | Confident | 69.9 | Low | 135 Ų | 135 | 121.5 Ų | 121.5 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -65.3 | -8.9 | -173.1 | 24.8 | -34.3 | 0 | 0 | 0 | 114 | ||
| 100 | S | 70.5 | Confident | 68.4 | Low | 73 Ų | 73 | 116.8 Ų | 116.8 | 51% | 0.51 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -114.1 | 121 | 173.9 | 58.9 | 0 | 0 | 0 | 0 | 109.4 | P98 | P98-S100 PolarHBondContact O-N 2.75Š|
| 101 | G | 68.8 | Low | 66.9 | Low | 65 Ų | 65 | 119.4 Ų | 119.4 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | trans | -54.2 | 158.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K103 | G101-K103 PolarHBondContact O-N 3.3Š| ||
| 102 | S | 65.8 | Low | 65.7 | Low | 119 Ų | 119 | 124.9 Ų | 124.9 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -47.8 | 113.4 | 175.7 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | Q104 | S102-Q104 PolarHBondContact O-N 3.46Š| ||
| 103 | K | 65.8 | Low | 64.7 | Low | 181 Ų | 181 | 125 Ų | 125 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | trans | -57.5 | 127 | 169.1 | -65.6 | -172.6 | 179.4 | -169.7 | 0 | 106.2 | G101 L105 | G101-K103 PolarHBondContact O-N 3.3Å; K103-L105 PolarHBondContact O-N 2.84Å | ||
| 104 | Q | 64.3 | Low | 63.8 | Low | 176 Ų | 176 | 123.6 Ų | 123.6 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | -52.4 | 142 | 173.3 | -71.1 | -178.2 | -19.8 | 0 | 0 | 108.2 | S102 I106 | S102-Q104 PolarHBondContact O-N 3.46Å; Q104-I106 VanDerWaalsContact C-N 3.35Å; Q104-I106 WeakPolarHBondContact O-CG1 3.03Å; Q104-I106 PolarHBondContact O-N 3.01Å | ||
| 105 | L | 61.5 | Low | 63 | Low | 181 Ų | 181 | 124.1 Ų | 124.1 | 95% | 0.948 | 71% | 0.713 | S | S | * | * | trans | -61.2 | 102 | 173.4 | -73.6 | 160.1 | 0 | 0 | 0 | 107.1 | K103 G107 | K103-L105 PolarHBondContact O-N 2.84Å; L105-G107 PolarHBondContact O-N 3.12Å | ||
| 106 | I | 57.7 | Low | 62.3 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | trans | -79.1 | 108.3 | 179.4 | -61.5 | 160.7 | 0 | 0 | 0 | 106.6 | Q104 S110 | Q104-I106 VanDerWaalsContact C-N 3.35Å; Q104-I106 WeakPolarHBondContact O-CG1 3.03Å; Q104-I106 PolarHBondContact O-N 3.01Å; I106-S110 WeakPolarHBondContact CG2-OG 3.3Å | ||
| 107 | G | 58.8 | Low | 61.7 | Low | 55 Ų | 55 | 125.1 Ų | 125.1 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | trans | -67.7 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L105 G109 | L105-G107 PolarHBondContact O-N 3.12Å; G107-G109 PolarHBondContact O-N 3.48Å | ||
| 108 | S | 51.5 | Low | 61.4 | Low | 132 Ų | 132 | 124.4 Ų | 124.4 | 92% | 0.923 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.8 | 122.5 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 109 | G | 59.1 | Low | 60.9 | Low | 82 Ų | 82 | 123.5 Ų | 123.5 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.1 | 4.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117 | G107 | G107-G109 PolarHBondContact O-N 3.48Š|
| 110 | S | 57.1 | Low | 60.6 | Low | 37 Ų | 37 | 120.2 Ų | 120.2 | 26% | 0.259 | 69% | 0.694 | S | S | . | * | trans | -88.3 | 149.4 | 173.8 | 80.7 | 0 | 0 | 0 | 0 | 114 | I106 W112 G113 | I106-S110 WeakPolarHBondContact CG2-OG 3.3Å; S110-W112 PolarHBondContact O-N 3.02Å; S110-G113 PolarHBondContact O-N 3.3Å | ||
| 111 | Y | 56.1 | Low | 60.3 | Low | 231 Ų | 231 | 126.5 Ų | 126.5 | 91% | 0.906 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -6 | -176.9 | -80.1 | -87.3 | 0 | 0 | 0 | 116.3 | ||
| 112 | W | 55.6 | Low | 60.2 | Low | 231 Ų | 231 | 130.9 Ų | 130.9 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 8 | 176.2 | -66 | -57.1 | 0 | 0 | 0 | 114 | S110 | S110-W112 PolarHBondContact O-N 3.02Š|
| 113 | G | 51.6 | Low | 60.2 | Low | 47 Ų | 47 | 132.8 Ų | 132.8 | 49% | 0.485 | 70% | 0.698 | S | S | . | * | trans | -112 | 79.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S110 F115 | S110-G113 PolarHBondContact O-N 3.3Å; G113-F115 PolarHBondContact O-N 3.12Å; G113-F115 VanDerWaalsContact O-N 3.08Å | ||
| 114 | T | 54.2 | Low | 60.1 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -80.8 | 24.9 | -169.9 | -24.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 115 | F | 55 | Low | 60.3 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 69% | 0.689 | 70% | 0.696 | S | S | * | * | trans | -132.2 | 80.2 | 179 | -59 | -56.5 | 0 | 0 | 0 | 109.8 | G113 Q117 I119 | G113-F115 PolarHBondContact O-N 3.12Å; G113-F115 VanDerWaalsContact O-N 3.08Å; F115-Q117 VanDerWaalsContact C-N 3.29Å; F115-Q117 PolarHBondContact O-N 3.32Å; F115-I119 HydrophobicContact CB-CD1 4.35Å; F115-I119 HydrophobicContact CD1-CD1 3.18Å; F115-I119 HydrophobicContact CD1-CG1 4.36Å; F115-I119 HydrophobicContact CE1-CD1 3.52Å; F115-I119 HydrophobicContact CG-CD1 3.87Å; F115-I119 HydrophobicContact CZ-CD1 4.45Å | ||
| 116 | S | 59.5 | Low | 60.3 | Low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -82 | -1.7 | -177.9 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 117 | Q | 63.5 | Low | 60.6 | Low | 151 Ų | 151 | 133.8 Ų | 133.8 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -140.9 | 149.9 | 179.6 | -66.3 | -166.8 | -5 | 0 | 0 | 110.9 | F115 I119 | F115-Q117 VanDerWaalsContact C-N 3.29Å; F115-Q117 PolarHBondContact O-N 3.32Å; Q117-I119 PolarHBondContact O-N 2.96Å |
| 118 | P | 65.1 | Low | 60.9 | Low | 132 Ų | 132 | 140.3 Ų | 140.3 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | trans | -60.4 | 104.3 | 173.3 | 23.8 | -31.2 | 0 | 0 | 0 | 109.1 | S120 | P118-S120 PolarHBondContact O-N 3.37Š| ||
| 119 | I | 65.9 | Low | 61.4 | Low | 58 Ų | 58 | 137.8 Ų | 137.8 | 30% | 0.297 | 70% | 0.699 | S | S | . | * | trans | -67.4 | 123 | 173.2 | -64.8 | 162.9 | 0 | 0 | 0 | 107 | F115 Q117 Y121 F122 | F115-I119 HydrophobicContact CB-CD1 4.35Å; F115-I119 HydrophobicContact CD1-CD1 3.18Å; F115-I119 HydrophobicContact CD1-CG1 4.36Å; F115-I119 HydrophobicContact CE1-CD1 3.52Å; F115-I119 HydrophobicContact CG-CD1 3.87Å; F115-I119 HydrophobicContact CZ-CD1 4.45Å; Q117-I119 PolarHBondContact O-N 2.96Å; I119-Y121 HydrophobicContact CG2-CD2 3.9Å; I119-Y121 PolarHBondContact O-N 2.96Å; I119-F122 HydrophobicContact CB-CD2 3.64Å; I119-F122 HydrophobicContact CB-CE2 4.3Å; I119-F122 HydrophobicContact CD1-CD2 3.9Å; I119-F122 HydrophobicContact CD1-CE2 3.82Å; I119-F122 HydrophobicContact CG1-CD2 4.4Å; I119-F122 HydrophobicContact CG2-CD2 3.57Å; I119-F122 HydrophobicContact CG2-CE2 4.01Å; I119-F122 PolarHBondContact O-N 3.49Å | ||
| 120 | S | 65.8 | Low | 61.9 | Low | 66 Ų | 66 | 141.6 Ų | 141.6 | 46% | 0.462 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.2 | -14.2 | -176.6 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | P118 R123 | P118-S120 PolarHBondContact O-N 3.37Å; S120-R123 WeakPolarHBondContact O-CG 3.19Å; S120-R123 PolarHBondContact O-NE 3.04Å |
| 121 | Y | 64.4 | Low | 62 | Low | 205 Ų | 205 | 148.5 Ų | 148.5 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -12.3 | 178.7 | -57 | -75.6 | 0 | 0 | 0 | 114.6 | I119 R123 | I119-Y121 HydrophobicContact CG2-CD2 3.9Å; I119-Y121 PolarHBondContact O-N 2.96Å; Y121-R123 PolarHBondContact O-N 2.94Å |
| 122 | F | 65.3 | Low | 62.4 | Low | 158 Ų | 158 | 141.9 Ų | 141.9 | 69% | 0.693 | 71% | 0.712 | S | S | * | * | trans | -101.8 | 49.7 | 179 | -71.4 | -89 | 0 | 0 | 0 | 111.6 | I119 | I119-F122 HydrophobicContact CB-CD2 3.64Å; I119-F122 HydrophobicContact CB-CE2 4.3Å; I119-F122 HydrophobicContact CD1-CD2 3.9Å; I119-F122 HydrophobicContact CD1-CE2 3.82Å; I119-F122 HydrophobicContact CG1-CD2 4.4Å; I119-F122 HydrophobicContact CG2-CD2 3.57Å; I119-F122 HydrophobicContact CG2-CE2 4.01Å; I119-F122 PolarHBondContact O-N 3.49Å | ||
| 123 | R | 65.8 | Low | 62.9 | Low | 159 Ų | 159 | 135.5 Ų | 135.5 | 60% | 0.6 | 70% | 0.702 | S | S | * | * | trans | -79.1 | 135.8 | 174 | -45.5 | -175.5 | -168.3 | -165.8 | 0.8 | 108.6 | S120 Y121 E125 | S120-R123 WeakPolarHBondContact O-CG 3.19Å; S120-R123 PolarHBondContact O-NE 3.04Å; Y121-R123 PolarHBondContact O-N 2.94Å; R123-E125 HydrophobicContact CB-CB 4.36Å; R123-E125 HydrophobicContact CB-CG 4.21Å; R123-E125 PolarHBondContact O-N 3.24Å | ||
| 124 | N | 65.3 | Low | 63.6 | Low | 177 Ų | 177 | 140.7 Ų | 140.7 | 95% | 0.947 | 72% | 0.719 | S | S | * | * | trans | -71.4 | 29.3 | 171.1 | -91.6 | -2.4 | 0 | 0 | 0 | 112.9 | ||||
| 125 | E | 68 | Low | 64.3 | Low | 133 Ų | 133 | 142.7 Ų | 142.7 | 62% | 0.621 | 72% | 0.72 | S | S | * | * | trans | -84.3 | 122.3 | 174.1 | -70.2 | 173.4 | -172.7 | 0 | 0 | 107.9 | R123 I127 | R123-E125 HydrophobicContact CB-CB 4.36Å; R123-E125 HydrophobicContact CB-CG 4.21Å; R123-E125 PolarHBondContact O-N 3.24Å; E125-I127 PolarHBondContact O-N 3.19Å | ||
| 126 | F | 61 | Low | 64.9 | Low | 208 Ų | 208 | 144 Ų | 144 | 91% | 0.912 | 73% | 0.725 | S | S | * | * | trans | -62.7 | 89 | 168.5 | -93.2 | -89.6 | 0 | 0 | 0 | 108.7 | K128 | F126-K128 VanDerWaalsContact C-N 3.34Å; F126-K128 PolarHBondContact O-N 3.37Å | ||
| 127 | I | 65.2 | Low | 65.4 | Low | 150 Ų | 150 | 142.3 Ų | 142.3 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | -66.8 | 101.2 | 165 | -56 | 174.8 | 0 | 0 | 0 | 105.4 | E125 S129 | E125-I127 PolarHBondContact O-N 3.19Å; I127-S129 PolarHBondContact O-N 3.19Å | ||
| 128 | K | 63.7 | Low | 65.4 | Low | 191 Ų | 191 | 143 Ų | 143 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | -62.9 | 89.1 | 168.9 | -73 | -178.1 | -179.4 | 178.6 | 0 | 107.4 | F126 I130 | F126-K128 VanDerWaalsContact C-N 3.34Å; F126-K128 PolarHBondContact O-N 3.37Å; K128-I130 PolarHBondContact O-N 3.47Å | ||
| 129 | S | 62.9 | Low | 65.4 | Low | 79 Ų | 79 | 147.1 Ų | 147.1 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | trans | -63 | 109.7 | 167.8 | 64.2 | 0 | 0 | 0 | 0 | 106.8 | I127 K131 | I127-S129 PolarHBondContact O-N 3.19Å; S129-K131 PolarHBondContact O-N 3.05Å | ||
| 130 | I | 68.2 | Low | 65.5 | Low | 163 Ų | 163 | 149.6 Ų | 149.6 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -68.9 | 86.9 | 165.7 | -58.6 | 166.1 | 0 | 0 | 0 | 104.8 | K128 S132 | K128-I130 PolarHBondContact O-N 3.47Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 3.2Å | ||
| 131 | K | 59.9 | Low | 65.6 | Low | 181 Ų | 181 | 149.2 Ų | 149.2 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | trans | -73.2 | 95.2 | 167.9 | -67.4 | -172.3 | -179.6 | -176.3 | 0 | 105.8 | S129 S133 | S129-K131 PolarHBondContact O-N 3.05Å; K131-S133 PolarHBondContact O-N 3.31Å | ||
| 132 | S | 64.5 | Low | 65.8 | Low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | trans | -59.6 | 118.6 | 156.8 | 48.1 | 0 | 0 | 0 | 0 | 106.3 | I130 D134 | I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 3.2Å; S132-D134 PolarHBondContact O-N 2.95Å | ||
| 133 | S | 65.3 | Low | 65.8 | Low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | trans | -63.8 | 122.3 | 163.7 | 53 | 0 | 0 | 0 | 0 | 106.7 | K131 E135 | K131-S133 PolarHBondContact O-N 3.31Å; S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 3.1Å | ||
| 134 | D | 67.7 | Low | 65.7 | Low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | trans | -61.5 | 100.6 | 164 | -69.9 | -24.5 | 0 | 0 | 0 | 106.4 | S132 | S132-D134 PolarHBondContact O-N 2.95Š| ||
| 135 | E | 69.2 | Low | 65 | Low | 165 Ų | 165 | 142.2 Ų | 142.2 | 77% | 0.771 | 71% | 0.712 | S | S | * | * | trans | -57.7 | 149.3 | 172.9 | -68 | -174.3 | 172.7 | 0 | 0 | 108.6 | S133 N137 | S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 3.1Å; E135-N137 PolarHBondContact O-N 2.99Å | ||
| 136 | K | 66.7 | Low | 64.4 | Low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -54.6 | 116.2 | 178.4 | -74.2 | 179.8 | 179.4 | 176.4 | 0 | 109 | F138 | K136-F138 PolarHBondContact O-N 3.18Š| ||
| 137 | N | 70.9 | Confident | 63.6 | Low | 83 Ų | 83 | 132.9 Ų | 132.9 | 44% | 0.444 | 71% | 0.705 | S | S | . | * | trans | -63.7 | 111.8 | 180 | -179.7 | -8.4 | 0 | 0 | 0 | 109.3 | E135 Y139 T140 S141 | E135-N137 PolarHBondContact O-N 2.99Å; N137-Y139 PolarHBondContact O-N 3.27Å; N137-Y139 PolarHBondContact OD1-N 3.47Å; N137-Y139 VanDerWaalsContact OD1-N 3.16Å; N137-T140 VanDerWaalsContact CB-OG1 3.3Å; N137-T140 WeakPolarHBondContact CB-OG1 3.17Å; N137-T140 PolarHBondContact O-N 2.86Å; N137-T140 PolarHBondContact O-OG1 3.27Å; N137-S141 PolarHBondContact O-N 3.1Å; N137-S141 PolarHBondContact O-OG 2.9Å | ||
| 138 | F | 63 | Low | 62.8 | Low | 165 Ų | 165 | 128.4 Ų | 128.4 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -25.7 | -174.7 | -132 | -84.4 | 0 | 0 | 0 | 112.4 | K136 | K136-F138 PolarHBondContact O-N 3.18Š|
| 139 | Y | 65.5 | Low | 62.2 | Low | 219 Ų | 219 | 124.8 Ų | 124.8 | 86% | 0.859 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -35.1 | 178.3 | -78.2 | -84.2 | 0 | 0 | 0 | 113.3 | N137 | N137-Y139 PolarHBondContact O-N 3.27Å; N137-Y139 PolarHBondContact OD1-N 3.47Å; N137-Y139 VanDerWaalsContact OD1-N 3.16Å |
| 140 | T | 66.6 | Low | 61.6 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -16.4 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | N137 | N137-T140 VanDerWaalsContact CB-OG1 3.3Å; N137-T140 WeakPolarHBondContact CB-OG1 3.17Å; N137-T140 PolarHBondContact O-N 2.86Å; N137-T140 PolarHBondContact O-OG1 3.27Å |
| 141 | S | 67.7 | Low | 61.2 | Low | 59 Ų | 59 | 127.1 Ų | 127.1 | 41% | 0.413 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -137.8 | 60.7 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | N137 S143 | N137-S141 PolarHBondContact O-N 3.1Å; N137-S141 PolarHBondContact O-OG 2.9Å; S141-S143 PolarHBondContact O-N 3.18Å |
| 142 | P | 68.4 | Low | 61.2 | Low | 86 Ų | 86 | 122.6 Ų | 122.6 | 56% | 0.558 | 69% | 0.688 | S | S | * | * | trans | -62.3 | 135.3 | 177 | 27.7 | -33.6 | 0 | 0 | 0 | 109.5 | K144 | P142-K144 PolarHBondContact O-N 2.6Š| ||
| 143 | S | 65.6 | Low | 61 | Low | 84 Ų | 84 | 123.3 Ų | 123.3 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | trans | -54.6 | 136.8 | 169.6 | 54 | 0 | 0 | 0 | 0 | 109.3 | S141 K145 | S141-S143 PolarHBondContact O-N 3.18Å; S143-K145 PolarHBondContact O-N 3.28Å | ||
| 144 | K | 63.6 | Low | 60.8 | Low | 171 Ų | 171 | 124.3 Ų | 124.3 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -47.3 | 104.7 | -178.4 | -172.3 | 170.6 | 177.7 | -176.6 | 0 | 110.6 | P142 G146 A147 | P142-K144 PolarHBondContact O-N 2.6Å; K144-G146 PolarHBondContact O-N 3.11Å; K144-A147 HydrophobicContact CB-CB 4.14Å; K144-A147 HydrophobicContact CD-CB 3.6Å; K144-A147 HydrophobicContact CG-CB 3.79Å; K144-A147 PolarHBondContact O-N 2.96Å | ||
| 145 | K | 52.2 | Low | 60.6 | Low | 210 Ų | 210 | 122.3 Ų | 122.3 | 91% | 0.913 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 111 | 172.8 | -79.5 | -173.7 | 174.9 | -178.6 | 0 | 107.5 | S143 | S143-K145 PolarHBondContact O-N 3.28Š|
| 146 | G | 53.8 | Low | 60.4 | Low | 88 Ų | 88 | 123.4 Ų | 123.4 | 91% | 0.907 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.9 | 7.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | K144 | K144-G146 PolarHBondContact O-N 3.11Š|
| 147 | A | 45.7 | Very low | 60.5 | Low | 58 Ų | 58 | 117 Ų | 117 | 48% | 0.479 | 68% | 0.676 | S | S | . | * | trans | -124.9 | 28 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K144 | K144-A147 HydrophobicContact CB-CB 4.14Å; K144-A147 HydrophobicContact CD-CB 3.6Å; K144-A147 HydrophobicContact CG-CB 3.79Å; K144-A147 PolarHBondContact O-N 2.96Å | ||
| 148 | G | 47.8 | Very low | 60.6 | Low | 56 Ų | 56 | 122.8 Ų | 122.8 | 58% | 0.577 | 70% | 0.697 | S | S | * | * | trans | -95.1 | 89.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S150 | G148-S150 PolarHBondContact O-N 3.05Š| ||
| 149 | S | 51.3 | Low | 61.1 | Low | 114 Ų | 114 | 119.1 Ų | 119.1 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 126.1 | 153.7 | -47.3 | 0 | 0 | 0 | 0 | 107.4 | ||
| 150 | S | 50.1 | Low | 61.5 | Low | 114 Ų | 114 | 114.2 Ų | 114.2 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.4 | 28.9 | 163.7 | 93.5 | 0 | 0 | 0 | 0 | 121.4 | G148 P152 | G148-S150 PolarHBondContact O-N 3.05Å; S150-P152 WeakPolarHBondContact O-CD 3.18Å |
| 151 | Y | 60.4 | Low | 62 | Low | 177 Ų | 177 | 113.3 Ų | 113.3 | 69% | 0.694 | 68% | 0.683 | S | S | * | * | trans | -92.4 | 115.2 | 155.5 | -74.1 | -73.4 | 0 | 0 | 0 | 110.1 | N153 V154 | Y151-N153 PolarHBondContact O-N 3.19Å; Y151-V154 VanDerWaalsContact CB-CG2 3.44Å | ||
| 152 | P | 59 | Low | 62.3 | Low | 86 Ų | 86 | 120 Ų | 120 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 134.3 | 169.9 | 25.8 | -29.6 | 0 | 0 | 0 | 108.9 | S150 L159 | S150-P152 WeakPolarHBondContact O-CD 3.18Å; P152-L159 VanDerWaalsContact CA-CD1 3.48Å; P152-L159 HydrophobicContact CB-CD1 3.58Å; P152-L159 HydrophobicContact CB-CD2 3.65Å; P152-L159 HydrophobicContact CB-CG 4.24Å |
| 153 | N | 60.9 | Low | 62.6 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 58% | 0.583 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84 | 25.7 | -179.8 | -57.3 | -36.2 | 0 | 0 | 0 | 117.5 | Y151 L159 | Y151-N153 PolarHBondContact O-N 3.19Å; N153-L159 VanDerWaalsContact OD1-CD1 3.3Å; N153-L159 WeakPolarHBondContact OD1-CD1 3.12Å; N153-L159 PolarHBondContact OD1-N 3.42Å |
| 154 | V | 61.3 | Low | 62.8 | Low | 117 Ų | 117 | 120.6 Ų | 120.6 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | trans | -91.3 | -19.8 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 113.4 | Y151 | Y151-V154 VanDerWaalsContact CB-CG2 3.44Š| ||
| 155 | T | 63.8 | Low | 62.8 | Low | 113 Ų | 113 | 117.9 Ų | 117.9 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -90.3 | 159.7 | 177.1 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | G157 | T155-G157 VanDerWaalsContact C-N 3.34Å; T155-G157 PolarHBondContact O-N 3.19Å |
| 156 | I | 64 | Low | 63.4 | Low | 189 Ų | 189 | 112.1 Ų | 112.1 | 97% | 0.969 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -66 | 91.8 | 174.7 | -53.1 | 170.3 | 0 | 0 | 0 | 108.4 | ||
| 157 | G | 69.3 | Low | 63.5 | Low | 50 Ų | 50 | 116.6 Ų | 116.6 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | S | Bend | trans | 151.3 | 137.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | T155 | T155-G157 VanDerWaalsContact C-N 3.34Å; T155-G157 PolarHBondContact O-N 3.19Å |
| 158 | K | 73.7 | Confident | 64 | Low | 205 Ų | 205 | 119.3 Ų | 119.3 | 89% | 0.891 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.9 | 172.3 | -83.1 | -179.3 | 175.4 | 177.7 | 0 | 109.5 | ||
| 159 | L | 73.1 | Confident | 64.5 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 46% | 0.461 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 137.1 | 167 | -101.7 | 94.1 | 0 | 0 | 0 | 110.2 | P152 N153 | P152-L159 VanDerWaalsContact CA-CD1 3.48Å; P152-L159 HydrophobicContact CB-CD1 3.58Å; P152-L159 HydrophobicContact CB-CD2 3.65Å; P152-L159 HydrophobicContact CB-CG 4.24Å; N153-L159 VanDerWaalsContact OD1-CD1 3.3Å; N153-L159 WeakPolarHBondContact OD1-CD1 3.12Å; N153-L159 PolarHBondContact OD1-N 3.42Å |
| 160 | P | 73.6 | Confident | 64.7 | Low | 116 Ų | 116 | 119.5 Ų | 119.5 | 75% | 0.753 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 140.9 | 170.4 | 26.3 | -32.2 | 0 | 0 | 0 | 109.7 | Y162 | P160-Y162 PolarHBondContact O-N 3.28Š|
| 161 | A | 76.9 | Confident | 65.1 | Low | 89 Ų | 89 | 118.8 Ų | 118.8 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 136.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V163 | A161-V163 PolarHBondContact O-N 3.05Š|
| 162 | Y | 73.8 | Confident | 65.1 | Low | 199 Ų | 199 | 114.6 Ų | 114.6 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 121.1 | 173 | 174.5 | -99.9 | 0 | 0 | 0 | 109.2 | P160 | P160-Y162 PolarHBondContact O-N 3.28Š|
| 163 | V | 74.9 | Confident | 65.3 | Low | 113 Ų | 113 | 115.8 Ų | 115.8 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | trans | -117.7 | 119.8 | 171.4 | -179.1 | 0 | 0 | 0 | 0 | 106 | A161 E165 | A161-V163 PolarHBondContact O-N 3.05Å; V163-E165 PolarHBondContact O-N 3.35Å | ||
| 164 | S | 69.5 | Low | 65.6 | Low | 71 Ų | 71 | 114.3 Ų | 114.3 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | trans | -66.6 | 113.1 | 173.1 | 55.9 | 0 | 0 | 0 | 0 | 108.4 | P166 | S164-P166 VanDerWaalsContact O-CD 3.26Å; S164-P166 WeakPolarHBondContact O-CD 3.26Å | ||
| 165 | E | 64.3 | Low | 66 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 53% | 0.528 | 61% | 0.605 | S | S | . | * | trans | -78.4 | 110.9 | 173 | -82.5 | -172.3 | -174.4 | 0 | 0 | 109.6 | V163 Y167 L168 | V163-E165 PolarHBondContact O-N 3.35Å; E165-Y167 PolarHBondContact O-N 3.21Å; E165-L168 HydrophobicContact CB-CB 4.46Å; E165-L168 HydrophobicContact CB-CD1 4.3Å; E165-L168 HydrophobicContact CB-CG 4.29Å; E165-L168 PolarHBondContact O-N 3.26Å; E165-L168 WeakPolarHBondContact OE2-CD1 3.42Å; E165-L168 WeakPolarHBondContact OE2-CG 3.41Å | ||
| 166 | P | 64.4 | Low | 66.2 | Low | 90 Ų | 90 | 111.9 Ų | 111.9 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -12.4 | -175.1 | 26.6 | -34.2 | 0 | 0 | 0 | 113.6 | S164 | S164-P166 VanDerWaalsContact O-CD 3.26Å; S164-P166 WeakPolarHBondContact O-CD 3.26Å |
| 167 | Y | 56.5 | Low | 66.7 | Low | 182 Ų | 182 | 107.5 Ų | 107.5 | 71% | 0.714 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -27.4 | -177.9 | -67.6 | -76.3 | 0 | 0 | 0 | 113.9 | E165 | E165-Y167 PolarHBondContact O-N 3.21Š|
| 168 | L | 56.3 | Low | 67 | Low | 115 Ų | 115 | 111.1 Ų | 111.1 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -24.9 | 177.9 | -67.3 | -178.6 | 0 | 0 | 0 | 112.5 | E165 N170 | E165-L168 HydrophobicContact CB-CB 4.46Å; E165-L168 HydrophobicContact CB-CD1 4.3Å; E165-L168 HydrophobicContact CB-CG 4.29Å; E165-L168 PolarHBondContact O-N 3.26Å; E165-L168 WeakPolarHBondContact OE2-CD1 3.42Å; E165-L168 WeakPolarHBondContact OE2-CG 3.41Å; L168-N170 PolarHBondContact O-N 2.82Å |
| 169 | D | 56.5 | Low | 67.1 | Low | 63 Ų | 63 | 105.6 Ų | 105.6 | 34% | 0.337 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -18.2 | -167.9 | -103.4 | -41.2 | 0 | 0 | 0 | 115.2 | K173 | D169-K173 WeakPolarHBondContact O-CD 3.47Å; D169-K173 WeakPolarHBondContact O-CE 3.46Å; D169-K173 PolarHBondContact O-NZ 2.9Å; D169-K173 IonicContact OD1-NZ 2.88Å; D169-K173 PolarHBondContact OD1-NZ 3.43Å |
| 170 | N | 56.7 | Low | 67.1 | Low | 110 Ų | 110 | 106.6 Ų | 106.6 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | -24.1 | -167.5 | -62.8 | -40.3 | 0 | 0 | 0 | 115 | L168 | L168-N170 PolarHBondContact O-N 2.82Š|
| 171 | I | 58.3 | Low | 67.1 | Low | 100 Ų | 100 | 108 Ų | 108 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -81.5 | -39 | -170.5 | -58.7 | 176 | 0 | 0 | 0 | 110.9 | ||
| 172 | D | 59.7 | Low | 67 | Low | 89 Ų | 89 | 109.3 Ų | 109.3 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -89.5 | -18.7 | -175.6 | -72.9 | -15.6 | 0 | 0 | 0 | 114.4 | T174 N176 | D172-T174 VanDerWaalsContact C-N 3.32Å; D172-T174 PolarHBondContact O-N 3.18Å; D172-N176 WeakPolarHBondContact O-CB 3.41Å; D172-N176 VanDerWaalsContact O-CG 3.29Å; D172-N176 PolarHBondContact O-N 3.18Å; D172-N176 PolarHBondContact O-ND2 3.16Å |
| 173 | K | 63.4 | Low | 67.2 | Low | 110 Ų | 110 | 104.3 Ų | 104.3 | 48% | 0.478 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | -179.5 | -71.5 | -178.3 | -173 | 143.6 | 0 | 111.1 | D169 I177 | D169-K173 WeakPolarHBondContact O-CD 3.47Å; D169-K173 WeakPolarHBondContact O-CE 3.46Å; D169-K173 PolarHBondContact O-NZ 2.9Å; D169-K173 IonicContact OD1-NZ 2.88Å; D169-K173 PolarHBondContact OD1-NZ 3.43Å; K173-I177 WeakPolarHBondContact O-CB 3.36Å; K173-I177 VanDerWaalsContact O-CD1 3.23Å; K173-I177 WeakPolarHBondContact O-CD1 3.28Å; K173-I177 WeakPolarHBondContact O-CG1 3.05Å; K173-I177 PolarHBondContact O-N 3.39Å |
| 174 | T | 67.4 | Low | 67.1 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73 | -39.6 | -177.9 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | D172 K178 | D172-T174 VanDerWaalsContact C-N 3.32Å; D172-T174 PolarHBondContact O-N 3.18Å; T174-K178 WeakPolarHBondContact O-CG 3.43Å; T174-K178 PolarHBondContact O-N 3.46Å; T174-K178 VanDerWaalsContact O-N 3.13Å |
| 175 | N | 68.9 | Low | 67.3 | Low | 79 Ų | 79 | 104.7 Ų | 104.7 | 42% | 0.422 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.9 | -45.1 | 176.1 | -70.1 | -21.7 | 0 | 0 | 0 | 111.3 | I177 K178 D179 | N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.37Å; N175-K178 WeakPolarHBondContact O-CB 3.42Å; N175-K178 PolarHBondContact O-N 2.86Å; N175-D179 PolarHBondContact O-N 3.36Å |
| 176 | N | 69.1 | Low | 67.4 | Low | 100 Ų | 100 | 103 Ų | 103 | 54% | 0.535 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 175.1 | -79.3 | -48.2 | 0 | 0 | 0 | 112.9 | D172 H180 | D172-N176 WeakPolarHBondContact O-CB 3.41Å; D172-N176 VanDerWaalsContact O-CG 3.29Å; D172-N176 PolarHBondContact O-N 3.18Å; D172-N176 PolarHBondContact O-ND2 3.16Å; N176-H180 WeakPolarHBondContact O-CB 3.48Å; N176-H180 PolarHBondContact O-N 3.39Å |
| 177 | I | 73.6 | Confident | 67.3 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 175 | -71 | 164.6 | 0 | 0 | 0 | 111.2 | K173 N175 K181 | K173-I177 WeakPolarHBondContact O-CB 3.36Å; K173-I177 VanDerWaalsContact O-CD1 3.23Å; K173-I177 WeakPolarHBondContact O-CD1 3.28Å; K173-I177 WeakPolarHBondContact O-CG1 3.05Å; K173-I177 PolarHBondContact O-N 3.39Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.37Å; I177-K181 HydrophobicContact CG2-CD 4.38Å; I177-K181 WeakPolarHBondContact O-CB 3.39Å; I177-K181 VanDerWaalsContact O-CG 3.3Å; I177-K181 WeakPolarHBondContact O-CG 3.36Å; I177-K181 PolarHBondContact O-N 2.93Å |
| 178 | K | 75.6 | Confident | 67.7 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 54% | 0.543 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -44.8 | 176.2 | -75.1 | 175.5 | -178.1 | 174.2 | 0 | 111.4 | T174 N175 H180 K181 N182 | T174-K178 WeakPolarHBondContact O-CG 3.43Å; T174-K178 PolarHBondContact O-N 3.46Å; T174-K178 VanDerWaalsContact O-N 3.13Å; N175-K178 WeakPolarHBondContact O-CB 3.42Å; N175-K178 PolarHBondContact O-N 2.86Å; K178-H180 PolarHBondContact O-N 3.11Å; K178-K181 WeakPolarHBondContact O-CB 3.33Å; K178-K181 PolarHBondContact O-N 3.13Å; K178-K181 VanDerWaalsContact O-N 3.16Å; K178-N182 VanDerWaalsContact O-CG 3.32Å; K178-N182 PolarHBondContact O-N 2.84Å; K178-N182 PolarHBondContact O-ND2 3.44Å |
| 179 | D | 77 | Confident | 68.1 | Low | 90 Ų | 90 | 106.3 Ų | 106.3 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -39.3 | 178.6 | -68.8 | -19.3 | 0 | 0 | 0 | 111.9 | N175 N182 S183 | N175-D179 PolarHBondContact O-N 3.36Å; D179-N182 PolarHBondContact O-N 3.1Å; D179-S183 VanDerWaalsContact O-CB 3.3Å; D179-S183 WeakPolarHBondContact O-CB 3.42Å; D179-S183 PolarHBondContact O-N 3.21Å; D179-S183 PolarHBondContact O-OG 3.39Å |
| 180 | H | 73.4 | Confident | 68 | Low | 109 Ų | 109 | 113.1 Ų | 113.1 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63 | -42.9 | 171.8 | 177.8 | -71 | 0 | 0 | 0 | 111.6 | N176 K178 I184 | N176-H180 WeakPolarHBondContact O-CB 3.48Å; N176-H180 PolarHBondContact O-N 3.39Å; K178-H180 PolarHBondContact O-N 3.11Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 VanDerWaalsContact ND1-CD1 3.3Å; H180-I184 WeakPolarHBondContact ND1-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CB 3.46Å; H180-I184 WeakPolarHBondContact O-CG1 3.3Å; H180-I184 PolarHBondContact O-N 3.21Å |
| 181 | K | 72.7 | Confident | 68 | Low | 144 Ų | 144 | 113.7 Ų | 113.7 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.3 | -40.3 | 175.4 | -77.5 | 177.1 | 179.3 | -176.9 | 0 | 112.2 | I177 K178 I184 | I177-K181 HydrophobicContact CG2-CD 4.38Å; I177-K181 WeakPolarHBondContact O-CB 3.39Å; I177-K181 VanDerWaalsContact O-CG 3.3Å; I177-K181 WeakPolarHBondContact O-CG 3.36Å; I177-K181 PolarHBondContact O-N 2.93Å; K178-K181 WeakPolarHBondContact O-CB 3.33Å; K178-K181 PolarHBondContact O-N 3.13Å; K178-K181 VanDerWaalsContact O-N 3.16Å; K181-I184 PolarHBondContact O-N 3.34Å |
| 182 | N | 76.2 | Confident | 67.6 | Low | 118 Ų | 118 | 117.2 Ų | 117.2 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.1 | -43.4 | 178 | -71.5 | -18.1 | 0 | 0 | 0 | 112.1 | K178 D179 I184 L185 | K178-N182 VanDerWaalsContact O-CG 3.32Å; K178-N182 PolarHBondContact O-N 2.84Å; K178-N182 PolarHBondContact O-ND2 3.44Å; D179-N182 PolarHBondContact O-N 3.1Å; N182-I184 PolarHBondContact O-N 3Å; N182-I184 VanDerWaalsContact O-N 3.16Å; N182-L185 PolarHBondContact O-N 3.36Å |
| 183 | S | 76.8 | Confident | 66.9 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.6 | -23.8 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 113 | D179 | D179-S183 VanDerWaalsContact O-CB 3.3Å; D179-S183 WeakPolarHBondContact O-CB 3.42Å; D179-S183 PolarHBondContact O-N 3.21Å; D179-S183 PolarHBondContact O-OG 3.39Å |
| 184 | I | 72 | Confident | 65.8 | Low | 39 Ų | 39 | 116.8 Ų | 116.8 | 20% | 0.2 | 62% | 0.623 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -10.8 | 179.7 | -74.5 | -179.2 | 0 | 0 | 0 | 112.4 | H180 K181 N182 G186 R187 | H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 VanDerWaalsContact ND1-CD1 3.3Å; H180-I184 WeakPolarHBondContact ND1-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CB 3.46Å; H180-I184 WeakPolarHBondContact O-CG1 3.3Å; H180-I184 PolarHBondContact O-N 3.21Å; K181-I184 PolarHBondContact O-N 3.34Å; N182-I184 PolarHBondContact O-N 3Å; N182-I184 VanDerWaalsContact O-N 3.16Å; I184-G186 PolarHBondContact O-N 2.88Å; I184-R187 VanDerWaalsContact CG2-C 3.48Å; I184-R187 HydrophobicContact CG2-CB 3.74Å; I184-R187 WeakPolarHBondContact CG2-O 3.3Å; I184-R187 VanDerWaalsContact O-CB 3.3Å; I184-R187 WeakPolarHBondContact O-CB 3.26Å; I184-R187 PolarHBondContact O-N 3.46Å |
| 185 | L | 75.5 | Confident | 64.8 | Low | 153 Ų | 153 | 119 Ų | 119 | 80% | 0.801 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.3 | 37.4 | 172.7 | -73.6 | 131.8 | 0 | 0 | 0 | 113.6 | N182 R187 | N182-L185 PolarHBondContact O-N 3.36Å; L185-R187 PolarHBondContact O-N 2.9Å |
| 186 | G | 65.7 | Low | 64.1 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.1 | 3.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | I184 | I184-G186 PolarHBondContact O-N 2.88Š|
| 187 | R | 62.9 | Low | 63.6 | Low | 201 Ų | 201 | 123.1 Ų | 123.1 | 76% | 0.758 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 149.2 | 165.8 | -72.5 | 177.3 | 170.1 | 140.1 | -0.9 | 109.7 | I184 L185 | I184-R187 VanDerWaalsContact CG2-C 3.48Å; I184-R187 HydrophobicContact CG2-CB 3.74Å; I184-R187 WeakPolarHBondContact CG2-O 3.3Å; I184-R187 VanDerWaalsContact O-CB 3.3Å; I184-R187 WeakPolarHBondContact O-CB 3.26Å; I184-R187 PolarHBondContact O-N 3.46Å; L185-R187 PolarHBondContact O-N 2.9Å |
| 188 | K | 65.1 | Low | 62.9 | Low | 181 Ų | 181 | 128.6 Ų | 128.6 | 79% | 0.787 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.5 | 169.1 | -69.7 | -180 | 178.2 | 179.9 | 0 | 107.5 | F190 | K188-F190 PolarHBondContact O-N 3.4Š|
| 189 | S | 63 | Low | 62 | Low | 75 Ų | 75 | 132 Ų | 132 | 52% | 0.524 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -47.7 | 138.1 | 165.7 | 38.1 | 0 | 0 | 0 | 0 | 108.1 | I191 | S189-I191 PolarHBondContact O-N 2.95Š|
| 190 | F | 55.1 | Low | 61.3 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 90% | 0.904 | 69% | 0.692 | S | S | * | * | trans | -59.2 | 94.4 | 176.5 | -75.9 | -86.7 | 0 | 0 | 0 | 107.9 | K188 Q192 | K188-F190 PolarHBondContact O-N 3.4Å; F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 3.41Å | ||
| 191 | I | 56.8 | Low | 60.8 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 62% | 0.621 | 70% | 0.698 | S | S | * | * | trans | -61.9 | 107.7 | 156.5 | -59.3 | 172.8 | 0 | 0 | 0 | 101.9 | S189 C193 | S189-I191 PolarHBondContact O-N 2.95Å; I191-C193 PolarHBondContact O-N 3.11Å | ||
| 192 | Q | 50 | Low | 60.5 | Low | 175 Ų | 175 | 126.7 Ų | 126.7 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -34.7 | 127.1 | 165.2 | 178.6 | 173.7 | -4.8 | 0 | 0 | 107.4 | F190 G194 | F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 3.41Å; Q192-G194 PolarHBondContact O-N 3.08Å | ||
| 193 | C | 45.2 | Very low | 60.1 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 88% | 0.878 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -62.3 | 69.5 | -179.5 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | I191 | I191-C193 PolarHBondContact O-N 3.11Š|
| 194 | G | 39.7 | Very low | 59.7 | Low | 59 Ų | 59 | 132.2 Ų | 132.2 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | trans | -105.9 | 71.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | Q192 | Q192-G194 PolarHBondContact O-N 3.08Š| ||
| 195 | N | 47.8 | Very low | 59.2 | Low | 126 Ų | 126 | 137.5 Ų | 137.5 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | -170.2 | 131.8 | -179.7 | -93.7 | -15.2 | 0 | 0 | 0 | 107.3 | ||||
| 196 | I | 53.4 | Low | 58.7 | Low | 127 Ų | 127 | 138.9 Ų | 138.9 | 65% | 0.651 | 73% | 0.725 | S | S | * | * | S | Bend | cis | -158.5 | 0.8 | 12.4 | -94.1 | 145.4 | 0 | 0 | 0 | 113.3 | ||
| 197 | D | 57.8 | Low | 58.3 | Low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -111 | -21.5 | -164.1 | -63.8 | -22.7 | 0 | 0 | 0 | 117.9 | ||
| 198 | Y | 59.8 | Low | 58.1 | Low | 211 Ų | 211 | 142.2 Ų | 142.2 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -117.3 | -11.1 | -166.9 | -69.5 | -80.9 | 0 | 0 | 0 | 116.3 | ||
| 199 | F | 57.1 | Low | 57.5 | Low | 196 Ų | 196 | 136.8 Ų | 136.8 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -123.4 | 126.2 | 176.7 | -65 | -80.7 | 0 | 0 | 0 | 108.3 | ||
| 200 | G | 62.3 | Low | 57 | Low | 65 Ų | 65 | 140.3 Ų | 140.3 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | trans | -59.1 | 167 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 201 | P | 62.4 | Low | 56.9 | Low | 96 Ų | 96 | 138.1 Ų | 138.1 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -53.8 | 144.9 | 174.8 | 24.6 | -33.5 | 0 | 0 | 0 | 110.5 | P203 | P201-P203 WeakPolarHBondContact O-CD 3.47Š|
| 202 | D | 66.6 | Low | 57 | Low | 72 Ų | 72 | 141.1 Ų | 141.1 | 39% | 0.385 | 74% | 0.739 | S | S | . | * | trans | -49 | 112.5 | 176.3 | -178.9 | -5 | 0 | 0 | 0 | 109.9 | Y204 K205 | D202-Y204 PolarHBondContact O-N 2.94Å; D202-Y204 PolarHBondContact OD1-N 3.4Å; D202-Y204 VanDerWaalsContact OD1-N 3.11Å; D202-K205 HydrophobicContact CB-CB 4.28Å; D202-K205 HydrophobicContact CB-CD 4.41Å; D202-K205 HydrophobicContact CB-CG 4.39Å; D202-K205 PolarHBondContact O-N 2.84Å; D202-K205 VanDerWaalsContact O-N 3.07Å; D202-K205 WeakPolarHBondContact OD2-CD 3.43Å; D202-K205 WeakPolarHBondContact OD2-CE 3.44Å; D202-K205 WeakPolarHBondContact OD2-CG 3.44Å | ||
| 203 | P | 66.3 | Low | 57.5 | Low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -11.7 | -173.8 | 26.6 | -34 | 0 | 0 | 0 | 112.8 | P201 | P201-P203 WeakPolarHBondContact O-CD 3.47Š|
| 204 | Y | 68.5 | Low | 58.4 | Low | 213 Ų | 213 | 143 Ų | 143 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -5 | 179 | -56.6 | -73.8 | 0 | 0 | 0 | 113.7 | D202 | D202-Y204 PolarHBondContact O-N 2.94Å; D202-Y204 PolarHBondContact OD1-N 3.4Å; D202-Y204 VanDerWaalsContact OD1-N 3.11Å |
| 205 | K | 63.4 | Low | 59.5 | Low | 150 Ų | 150 | 148.3 Ų | 148.3 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.4 | 108.3 | 176.4 | -71.8 | -177.2 | -176.5 | 178.3 | 0 | 110.5 | D202 Q207 | D202-K205 HydrophobicContact CB-CB 4.28Å; D202-K205 HydrophobicContact CB-CD 4.41Å; D202-K205 HydrophobicContact CB-CG 4.39Å; D202-K205 PolarHBondContact O-N 2.84Å; D202-K205 VanDerWaalsContact O-N 3.07Å; D202-K205 WeakPolarHBondContact OD2-CD 3.43Å; D202-K205 WeakPolarHBondContact OD2-CE 3.44Å; D202-K205 WeakPolarHBondContact OD2-CG 3.44Å; K205-Q207 PolarHBondContact O-N 3.09Å |
| 206 | Q | 63.2 | Low | 60.3 | Low | 182 Ų | 182 | 151.4 Ų | 151.4 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | -62.9 | 97.7 | 166.2 | -75.2 | -179.6 | -16.7 | 0 | 0 | 109.2 | Q208 | Q206-Q208 PolarHBondContact O-N 3.24Š| ||
| 207 | Q | 58.6 | Low | 60.7 | Low | 166 Ų | 166 | 151.2 Ų | 151.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -69.6 | 96.9 | 170.1 | -81.1 | -175 | -19.4 | 0 | 0 | 109.1 | K205 G209 | K205-Q207 PolarHBondContact O-N 3.09Å; Q207-G209 PolarHBondContact O-N 3.01Å | ||
| 208 | Q | 58 | Low | 60.8 | Low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -65.3 | 112.6 | 166.8 | -68.6 | 178.6 | 0.2 | 0 | 0 | 109.1 | Q206 | Q206-Q208 PolarHBondContact O-N 3.24Š| ||
| 209 | G | 52.7 | Low | 60.9 | Low | 66 Ų | 66 | 145.2 Ų | 145.2 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 81.1 | 66 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q207 | Q207-G209 PolarHBondContact O-N 3.01Š| ||
| 210 | I | 51.8 | Low | 61.1 | Low | 149 Ų | 149 | 142.8 Ų | 142.8 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -138.2 | 85.1 | 143.1 | -50.9 | 176.5 | 0 | 0 | 0 | 108.5 | K212 | I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 HydrophobicContact CG2-CG 4.06Å; I210-K212 PolarHBondContact O-N 3.32Å | ||
| 211 | I | 54.5 | Low | 61.2 | Low | 161 Ų | 161 | 148 Ų | 148 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -67.5 | 95.3 | 164.2 | -58.7 | 170.7 | 0 | 0 | 0 | 106.2 | R213 | I211-R213 PolarHBondContact O-N 2.68Š| ||
| 212 | K | 57.7 | Low | 61.3 | Low | 184 Ų | 184 | 149.2 Ų | 149.2 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -66.3 | 104.8 | 167.6 | -71 | -174.2 | -179.8 | 178.6 | 0 | 106.9 | I210 | I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 HydrophobicContact CG2-CG 4.06Å; I210-K212 PolarHBondContact O-N 3.32Å | ||
| 213 | R | 60.8 | Low | 61.1 | Low | 221 Ų | 221 | 154.6 Ų | 154.6 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 135.4 | 170.8 | -72.7 | 178.1 | 174.8 | 173.6 | -2.3 | 108.7 | I211 L215 | I211-R213 PolarHBondContact O-N 2.68Å; R213-L215 PolarHBondContact O-N 3.31Å |
| 214 | P | 63.3 | Low | 61.1 | Low | 123 Ų | 123 | 160.7 Ų | 160.7 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 125.3 | 175.6 | 23.3 | -31.2 | 0 | 0 | 0 | 109 | K216 | P214-K216 PolarHBondContact O-N 3.18Š|
| 215 | L | 63.1 | Low | 60.9 | Low | 171 Ų | 171 | 157.5 Ų | 157.5 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 123.5 | 172.1 | -77.5 | 149.8 | 0 | 0 | 0 | 107.7 | R213 | R213-L215 PolarHBondContact O-N 3.31Š|
| 216 | K | 64.2 | Low | 61.3 | Low | 191 Ų | 191 | 156.4 Ų | 156.4 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 137.7 | 171.2 | -70.8 | -179.7 | 178.4 | -179.3 | 0 | 108.4 | P214 A218 | P214-K216 PolarHBondContact O-N 3.18Å; K216-A218 PolarHBondContact O-N 3.09Å |
| 217 | P | 61.7 | Low | 61.7 | Low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.7 | 176.8 | 23.6 | -31.7 | 0 | 0 | 0 | 108.4 | T219 | P217-T219 PolarHBondContact O-N 3.18Š|
| 218 | A | 61.2 | Low | 62.5 | Low | 89 Ų | 89 | 152.8 Ų | 152.8 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 122.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | K216 I220 | K216-A218 PolarHBondContact O-N 3.09Å; A218-I220 PolarHBondContact O-N 2.76Å |
| 219 | T | 60.7 | Low | 63.3 | Low | 135 Ų | 135 | 151.5 Ų | 151.5 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 103.8 | 171.8 | -36.1 | 0 | 0 | 0 | 0 | 107.6 | P217 Q221 | P217-T219 PolarHBondContact O-N 3.18Å; T219-Q221 PolarHBondContact O-N 3.1Å | ||
| 220 | I | 62.4 | Low | 64.2 | Low | 146 Ų | 146 | 159.5 Ų | 159.5 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -66.2 | 100.9 | 176.5 | -61 | 169.3 | 0 | 0 | 0 | 106.3 | A218 T222 | A218-I220 PolarHBondContact O-N 2.76Å; I220-T222 PolarHBondContact O-N 2.68Å | ||
| 221 | Q | 64.6 | Low | 65.4 | Low | 173 Ų | 173 | 156.5 Ų | 156.5 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -64.9 | 105.5 | 165 | -69.8 | -170.3 | -0.1 | 0 | 0 | 106.9 | T219 K223 | T219-Q221 PolarHBondContact O-N 3.1Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 3.5Å | ||
| 222 | T | 64 | Low | 66.6 | Low | 123 Ų | 123 | 154.3 Ų | 154.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -66.2 | 89.7 | 173.3 | 44.8 | 0 | 0 | 0 | 0 | 108.1 | I220 R224 | I220-T222 PolarHBondContact O-N 2.68Å; T222-R224 PolarHBondContact O-N 3.24Å; T222-R224 VanDerWaalsContact O-N 3.08Å | ||
| 223 | K | 62.3 | Low | 67.3 | Low | 184 Ų | 184 | 150.9 Ų | 150.9 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -55.2 | 119.9 | 164.5 | -77.3 | -173.9 | 177.6 | -177.8 | 0 | 106.4 | Q221 I225 | Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 3.5Å; K223-I225 VanDerWaalsContact C-N 3.34Å; K223-I225 PolarHBondContact O-N 3.49Å | ||
| 224 | R | 66 | Low | 68 | Low | 243 Ų | 243 | 146.1 Ų | 146.1 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -57.9 | 101.2 | 170.8 | -72.6 | -177.2 | 176.5 | 174.7 | -1.1 | 106.9 | T222 T226 | T222-R224 PolarHBondContact O-N 3.24Å; T222-R224 VanDerWaalsContact O-N 3.08Å; R224-T226 PolarHBondContact O-N 2.91Å | ||
| 225 | I | 65.9 | Low | 68.3 | Low | 146 Ų | 146 | 143.8 Ų | 143.8 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -67.1 | 105.1 | 173.2 | -59.6 | 172.7 | 0 | 0 | 0 | 105.2 | K223 I227 | K223-I225 VanDerWaalsContact C-N 3.34Å; K223-I225 PolarHBondContact O-N 3.49Å; I225-I227 PolarHBondContact O-N 3.18Å | ||
| 226 | T | 71.7 | Confident | 68.4 | Low | 127 Ų | 127 | 143.3 Ų | 143.3 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -63.3 | 105.8 | 163.9 | 43.1 | 0 | 0 | 0 | 0 | 106.7 | R224 P228 | R224-T226 PolarHBondContact O-N 2.91Å; T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.26Å; T226-P228 VanDerWaalsContact O-N 3.12Å | ||
| 227 | I | 70.4 | Confident | 68.4 | Low | 140 Ų | 140 | 142 Ų | 142 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -61.2 | 112.5 | 178.4 | -56.4 | 166.6 | 0 | 0 | 0 | 106.7 | I225 F229 | I225-I227 PolarHBondContact O-N 3.18Å; I227-F229 WeakPolarHBondContact CG2-O 3.48Å; I227-F229 PolarHBondContact O-N 3.21Å | ||
| 228 | P | 75.2 | Confident | 68.3 | Low | 132 Ų | 132 | 142.7 Ų | 142.7 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -71.7 | -15 | -171 | 27.9 | -34.6 | 0 | 0 | 0 | 113.1 | T226 | T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.26Å; T226-P228 VanDerWaalsContact O-N 3.12Å |
| 229 | F | 75.7 | Confident | 68.2 | Low | 155 Ų | 155 | 142.3 Ų | 142.3 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | -132.6 | 113.1 | -174.7 | -166.5 | -99.3 | 0 | 0 | 0 | 110.2 | I227 P231 | I227-F229 WeakPolarHBondContact CG2-O 3.48Å; I227-F229 PolarHBondContact O-N 3.21Å; F229-P231 HydrophobicContact CE1-CB 4.45Å | ||
| 230 | R | 71.7 | Confident | 67.9 | Low | 235 Ų | 235 | 137.7 Ų | 137.7 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -93.3 | 113.6 | 167.3 | -166.5 | 176.8 | -171.8 | 177 | 1.7 | 106.5 | S232 | R230-S232 PolarHBondContact O-N 3.38Š| ||
| 231 | P | 76.4 | Confident | 67.5 | Low | 85 Ų | 85 | 140.5 Ų | 140.5 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | trans | -57.7 | 143.1 | 177.3 | 24.3 | -32.4 | 0 | 0 | 0 | 109.4 | F229 N233 | F229-P231 HydrophobicContact CE1-CB 4.45Å; P231-N233 PolarHBondContact O-N 3.38Å | ||
| 232 | S | 79.1 | Confident | 67.2 | Low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -64.1 | -11.7 | -175.2 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | R230 | R230-S232 PolarHBondContact O-N 3.38Š|
| 233 | N | 72.3 | Confident | 66.8 | Low | 112 Ų | 112 | 139 Ų | 139 | 60% | 0.599 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -127.8 | 139 | -170 | -41.8 | -3.8 | 0 | 0 | 0 | 109 | P231 | P231-N233 PolarHBondContact O-N 3.38Š|
| 234 | P | 76.1 | Confident | 66.4 | Low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 145.3 | 171.3 | 25.9 | -32.9 | 0 | 0 | 0 | 110.4 | K236 | P234-K236 PolarHBondContact O-N 2.93Š|
| 235 | G | 70.2 | Confident | 66 | Low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 136.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 236 | K | 65.8 | Low | 65.6 | Low | 161 Ų | 161 | 128.9 Ų | 128.9 | 70% | 0.7 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 137.8 | 176.6 | -66.5 | -177.8 | 175.4 | -176.6 | 0 | 110.1 | P234 Y241 | P234-K236 PolarHBondContact O-N 2.93Å; K236-Y241 PolarHBondContact NZ-O 3Å |
| 237 | E | 63.3 | Low | 65.2 | Low | 164 Ų | 164 | 130.2 Ų | 130.2 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 145.7 | 175.7 | -68.3 | -170.3 | 159.3 | 0 | 0 | 111.4 | G239 G240 | E237-G239 PolarHBondContact O-N 3.06Å; E237-G240 PolarHBondContact O-N 3.19Å |
| 238 | P | 59.6 | Low | 65.2 | Low | 136 Ų | 136 | 129.2 Ų | 129.2 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 82.3 | 174.7 | 29.3 | -33.9 | 0 | 0 | 0 | 109.8 | ||
| 239 | G | 58.4 | Low | 64.9 | Low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 161 | -21.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | E237 | E237-G239 PolarHBondContact O-N 3.06Š|
| 240 | G | 54.6 | Low | 64.9 | Low | 39 Ų | 39 | 128.8 Ų | 128.8 | 40% | 0.402 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -84.5 | 137.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E237 K242 | E237-G240 PolarHBondContact O-N 3.19Å; G240-K242 PolarHBondContact O-N 3.17Å |
| 241 | Y | 54.3 | Low | 65.3 | Low | 205 Ų | 205 | 124.8 Ų | 124.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -32.5 | 104.7 | 178.3 | -95.1 | -112.2 | 0 | 0 | 0 | 113 | K236 A243 | K236-Y241 PolarHBondContact NZ-O 3Å; Y241-A243 HydrophobicContact CD1-CB 3.71Å; Y241-A243 PolarHBondContact O-N 3.01Å; Y241-A243 VanDerWaalsContact O-N 3.12Å | ||
| 242 | K | 57.6 | Low | 65.4 | Low | 184 Ų | 184 | 131.2 Ų | 131.2 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -74.2 | 16.2 | 169.5 | -68.3 | -165.1 | 176.4 | -171.6 | 0 | 112.8 | G240 G244 | G240-K242 PolarHBondContact O-N 3.17Å; K242-G244 PolarHBondContact O-N 3.4Å | ||
| 243 | A | 56.5 | Low | 65.5 | Low | 79 Ų | 79 | 131.2 Ų | 131.2 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | trans | -77.4 | 37.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y241 | Y241-A243 HydrophobicContact CD1-CB 3.71Å; Y241-A243 PolarHBondContact O-N 3.01Å; Y241-A243 VanDerWaalsContact O-N 3.12Å | ||
| 244 | G | 54.1 | Low | 66.1 | Low | 62 Ų | 62 | 131.6 Ų | 131.6 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -113.4 | 0.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | K242 | K242-G244 PolarHBondContact O-N 3.4Š|
| 245 | T | 56.3 | Low | 66.3 | Low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -141.7 | -2.1 | -171.9 | 44.5 | 0 | 0 | 0 | 0 | 116.2 | ||
| 246 | F | 58.4 | Low | 66.8 | Low | 187 Ų | 187 | 134.3 Ų | 134.3 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | trans | -138.3 | 124.6 | 172.4 | -63.6 | -75.3 | 0 | 0 | 0 | 108.6 | ||||
| 247 | N | 62.6 | Low | 67.4 | Low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 143.7 | 165.3 | -68.6 | -18.6 | 0 | 0 | 0 | 108.1 | F249 | N247-F249 PolarHBondContact O-N 3.42Š|
| 248 | P | 70.6 | Confident | 68 | Low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 139.5 | 170.9 | 21 | -30.9 | 0 | 0 | 0 | 109.3 | ||
| 249 | F | 68.4 | Low | 68.7 | Low | 183 Ų | 183 | 127.6 Ų | 127.6 | 80% | 0.803 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 131.5 | 177.8 | -162.7 | -92.2 | 0 | 0 | 0 | 108.2 | N247 | N247-F249 PolarHBondContact O-N 3.42Š|
| 250 | P | 75.8 | Confident | 69.2 | Low | 96 Ų | 96 | 127.1 Ų | 127.1 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 143.8 | -178.5 | 22.1 | -31.3 | 0 | 0 | 0 | 110.1 | Y252 | P250-Y252 PolarHBondContact O-N 2.91Š|
| 251 | N | 81.2 | Confident | 69.7 | Low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -53 | 138.6 | 174.1 | -74 | -19.5 | 0 | 0 | 0 | 109.6 | I253 | N251-I253 PolarHBondContact O-N 3.31Š|
| 252 | Y | 78.7 | Confident | 70.1 | Confident | 219 Ų | 219 | 131.2 Ų | 131.2 | 86% | 0.859 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.2 | 179.6 | -163 | -89.3 | 0 | 0 | 0 | 109.4 | P250 | P250-Y252 PolarHBondContact O-N 2.91Š|
| 253 | I | 81.2 | Confident | 70.2 | Confident | 117 Ų | 117 | 130.2 Ų | 130.2 | 60% | 0.6 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 130.6 | 174.5 | -57.4 | 167 | 0 | 0 | 0 | 106.4 | N251 E255 | N251-I253 PolarHBondContact O-N 3.31Å; I253-E255 HydrophobicContact CG2-CB 3.9Å; I253-E255 HydrophobicContact CG2-CG 3.9Å; I253-E255 PolarHBondContact O-N 3.33Å |
| 254 | S | 84 | Confident | 70.2 | Confident | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 67% | 0.674 | S | S | * | * | trans | -71.4 | -10.2 | -178.5 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 255 | E | 81.5 | Confident | 70.1 | Confident | 144 Ų | 144 | 137.2 Ų | 137.2 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -70.9 | 141.3 | 179 | -62.3 | -178.6 | 179.3 | 0 | 0 | 111.3 | I253 Y257 | I253-E255 HydrophobicContact CG2-CB 3.9Å; I253-E255 HydrophobicContact CG2-CG 3.9Å; I253-E255 PolarHBondContact O-N 3.33Å; E255-Y257 PolarHBondContact O-N 3.39Å |
| 256 | P | 79 | Confident | 69.8 | Low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 134.8 | 176.3 | 24.2 | -32.6 | 0 | 0 | 0 | 110.1 | I258 | P256-I258 WeakPolarHBondContact O-CG1 3.4Å; P256-I258 PolarHBondContact O-N 2.85Å; P256-I258 VanDerWaalsContact O-N 3.11Å |
| 257 | Y | 78.5 | Confident | 69.6 | Low | 190 Ų | 190 | 134.3 Ų | 134.3 | 75% | 0.745 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 116.8 | 175.6 | 173.5 | -100.7 | 0 | 0 | 0 | 110.2 | E255 D259 | E255-Y257 PolarHBondContact O-N 3.39Å; Y257-D259 HydrophobicContact CE1-CB 3.85Å |
| 258 | I | 76.6 | Confident | 69.3 | Low | 89 Ų | 89 | 139.2 Ų | 139.2 | 46% | 0.456 | 68% | 0.677 | S | S | . | * | trans | -103.3 | 106.5 | 174.6 | -53.8 | 165.6 | 0 | 0 | 0 | 108.5 | P256 P260 R263 | P256-I258 WeakPolarHBondContact O-CG1 3.4Å; P256-I258 PolarHBondContact O-N 2.85Å; P256-I258 VanDerWaalsContact O-N 3.11Å; I258-P260 WeakPolarHBondContact O-CD 3.49Å; I258-R263 HydrophobicContact CG2-CG 3.67Å | ||
| 259 | D | 73.9 | Confident | 68.6 | Low | 41 Ų | 41 | 139 Ų | 139 | 22% | 0.219 | 67% | 0.669 | C | S | . | * | trans | -58 | 116.3 | 176 | -175.9 | -8.7 | 0 | 0 | 0 | 110.2 | Y257 Y261 K262 R263 | Y257-D259 HydrophobicContact CE1-CB 3.85Å; D259-Y261 PolarHBondContact O-N 2.93Å; D259-Y261 VanDerWaalsContact O-N 3.13Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.41Å; D259-Y261 WeakPolarHBondContact OD1-CD2 3.32Å; D259-Y261 PolarHBondContact OD1-N 2.87Å; D259-K262 HydrophobicContact CB-CB 4.04Å; D259-K262 HydrophobicContact CB-CD 3.97Å; D259-K262 HydrophobicContact CB-CG 3.87Å; D259-K262 PolarHBondContact O-N 3.41Å; D259-R263 PolarHBondContact O-N 2.73Å | ||
| 260 | P | 68.9 | Low | 68 | Low | 71 Ų | 71 | 134.5 Ų | 134.5 | 46% | 0.461 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -59.7 | -26.7 | -178.3 | 23.6 | -32.8 | 0 | 0 | 0 | 111.9 | I258 I264 | I258-P260 WeakPolarHBondContact O-CD 3.49Å; P260-I264 WeakPolarHBondContact O-CD1 3.28Å; P260-I264 WeakPolarHBondContact O-CG1 3.49Å |
| 261 | Y | 65.4 | Low | 67.3 | Low | 174 Ų | 174 | 140.5 Ų | 140.5 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -77.6 | -21.2 | 177.3 | -58.1 | -74.2 | 0 | 0 | 0 | 112.9 | D259 H265 | D259-Y261 PolarHBondContact O-N 2.93Å; D259-Y261 VanDerWaalsContact O-N 3.13Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.41Å; D259-Y261 WeakPolarHBondContact OD1-CD2 3.32Å; D259-Y261 PolarHBondContact OD1-N 2.87Å; Y261-H265 PolarHBondContact O-CE1 2.81Å; Y261-H265 PolarHBondContact O-ND1 3.34Å |
| 262 | K | 63.8 | Low | 66.5 | Low | 156 Ų | 156 | 138.7 Ų | 138.7 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.6 | -27.2 | 174 | -71.7 | -175.7 | -177 | 179.2 | 0 | 113.2 | D259 I264 | D259-K262 HydrophobicContact CB-CB 4.04Å; D259-K262 HydrophobicContact CB-CD 3.97Å; D259-K262 HydrophobicContact CB-CG 3.87Å; D259-K262 PolarHBondContact O-N 3.41Å; K262-I264 VanDerWaalsContact C-N 3.3Å; K262-I264 PolarHBondContact O-N 3.14Å |
| 263 | R | 58.4 | Low | 65.9 | Low | 162 Ų | 162 | 136.6 Ų | 136.6 | 61% | 0.611 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.5 | -23.6 | 175.4 | -68.2 | -167.2 | -164.1 | -176.5 | 4.1 | 113.7 | I258 D259 H265 | I258-R263 HydrophobicContact CG2-CG 3.67Å; D259-R263 PolarHBondContact O-N 2.73Å; R263-H265 PolarHBondContact O-N 3.35Å |
| 264 | I | 57.5 | Low | 65.2 | Low | 129 Ų | 129 | 138 Ų | 138 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -11.4 | -175.1 | -61.8 | 166.1 | 0 | 0 | 0 | 111.9 | P260 K262 | P260-I264 WeakPolarHBondContact O-CD1 3.28Å; P260-I264 WeakPolarHBondContact O-CG1 3.49Å; K262-I264 VanDerWaalsContact C-N 3.3Å; K262-I264 PolarHBondContact O-N 3.14Å |
| 265 | H | 51.8 | Low | 64.4 | Low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.736 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -104.5 | 50.6 | -176.1 | -62.4 | 79.6 | 0 | 0 | 0 | 112.6 | Y261 R263 | Y261-H265 PolarHBondContact O-CE1 2.81Å; Y261-H265 PolarHBondContact O-ND1 3.34Å; R263-H265 PolarHBondContact O-N 3.35Å |
| 266 | S | 49.7 | Very low | 63.9 | Low | 88 Ų | 88 | 133 Ų | 133 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | trans | -146.2 | 47.5 | 174.1 | 86.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 267 | H | 55.2 | Low | 63 | Low | 152 Ų | 152 | 134.3 Ų | 134.3 | 70% | 0.704 | 67% | 0.669 | S | S | * | * | trans | -137.3 | 106 | 148.7 | -88.2 | -81.5 | 0 | 0 | 0 | 107.4 | D269 | H267-D269 WeakPolarHBondContact CB-OD2 3.45Å; H267-D269 IonicContact CG-OD1 3.91Å; H267-D269 IonicContact CG-OD2 3.99Å; H267-D269 IonicContact ND1-OD1 3.55Å; H267-D269 PolarHBondContact O-N 2.82Å | ||
| 268 | R | 54.4 | Low | 62.5 | Low | 257 Ų | 257 | 127.2 Ų | 127.2 | 97% | 0.97 | 66% | 0.655 | S | S | * | * | trans | -71.2 | 55.2 | 163.7 | -69.4 | -176.8 | 179.9 | 169.7 | 0.7 | 108.3 | A270 | R268-A270 PolarHBondContact O-N 3.36Š| ||
| 269 | D | 56.2 | Low | 61.9 | Low | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | trans | -66.2 | 119.8 | 172 | -68.1 | -16.9 | 0 | 0 | 0 | 105.9 | H267 K271 | H267-D269 WeakPolarHBondContact CB-OD2 3.45Å; H267-D269 IonicContact CG-OD1 3.91Å; H267-D269 IonicContact CG-OD2 3.99Å; H267-D269 IonicContact ND1-OD1 3.55Å; H267-D269 PolarHBondContact O-N 2.82Å; D269-K271 PolarHBondContact O-N 3.08Å | ||
| 270 | A | 56.3 | Low | 61.3 | Low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -40.3 | 127.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R268 V272 | R268-A270 PolarHBondContact O-N 3.36Å; A270-V272 VanDerWaalsContact C-N 3.29Å; A270-V272 VanDerWaalsContact O-CG2 3.28Å; A270-V272 WeakPolarHBondContact O-CG2 3.33Å; A270-V272 PolarHBondContact O-N 2.97Å | ||
| 271 | K | 61.6 | Low | 61.1 | Low | 221 Ų | 221 | 135.8 Ų | 135.8 | 96% | 0.961 | 71% | 0.71 | S | S | * | * | trans | -14.5 | 82.5 | 172.8 | -71.9 | 176.2 | 176.9 | 176.7 | 0 | 112.9 | D269 F273 | D269-K271 PolarHBondContact O-N 3.08Å; K271-F273 PolarHBondContact O-N 3.1Å | ||
| 272 | V | 63.4 | Low | 61.1 | Low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | trans | -73.7 | 123.6 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 105.2 | A270 I274 | A270-V272 VanDerWaalsContact C-N 3.29Å; A270-V272 VanDerWaalsContact O-CG2 3.28Å; A270-V272 WeakPolarHBondContact O-CG2 3.33Å; A270-V272 PolarHBondContact O-N 2.97Å; V272-I274 PolarHBondContact O-N 3.19Å; V272-I274 VanDerWaalsContact O-N 3.09Å | ||
| 273 | F | 66 | Low | 61.3 | Low | 176 Ų | 176 | 135.1 Ų | 135.1 | 77% | 0.772 | 72% | 0.716 | S | S | * | * | trans | -60.4 | 114.1 | 173.7 | 170.2 | -98.8 | 0 | 0 | 0 | 108.9 | K271 P275 | K271-F273 PolarHBondContact O-N 3.1Å; F273-P275 HydrophobicContact CE1-CB 3.97Å; F273-P275 HydrophobicContact CZ-CB 4.38Å | ||
| 274 | I | 67 | Low | 61.9 | Low | 146 Ų | 146 | 133.3 Ų | 133.3 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -99 | 112.1 | 173.7 | -55.9 | 175.5 | 0 | 0 | 0 | 107 | V272 | V272-I274 PolarHBondContact O-N 3.19Å; V272-I274 VanDerWaalsContact O-N 3.09Å | ||
| 275 | P | 68.1 | Low | 62.8 | Low | 80 Ų | 80 | 132.4 Ų | 132.4 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | trans | -63.8 | 150.9 | 175.7 | 27.2 | -32.9 | 0 | 0 | 0 | 110.2 | F273 S277 | F273-P275 HydrophobicContact CE1-CB 3.97Å; F273-P275 HydrophobicContact CZ-CB 4.38Å; P275-S277 PolarHBondContact O-N 3.16Å; P275-S277 VanDerWaalsContact O-N 3.11Å | ||
| 276 | S | 69.5 | Low | 64.3 | Low | 78 Ų | 78 | 127.6 Ų | 127.6 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | trans | -52.3 | 119.5 | 177.4 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | G278 K280 | S276-G278 VanDerWaalsContact C-N 3.32Å; S276-G278 PolarHBondContact O-N 3.47Å; S276-K280 VanDerWaalsContact OG-CE 3.26Å; S276-K280 WeakPolarHBondContact OG-CE 3.49Å | ||
| 277 | S | 61.4 | Low | 65.8 | Low | 135 Ų | 135 | 129.8 Ų | 129.8 | 94% | 0.944 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -67.9 | 88.8 | 172.3 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | P275 | P275-S277 PolarHBondContact O-N 3.16Å; P275-S277 VanDerWaalsContact O-N 3.11Å |
| 278 | G | 68.1 | Low | 67.1 | Low | 42 Ų | 42 | 127.5 Ų | 127.5 | 43% | 0.433 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -174.2 | 140.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S276 K280 | S276-G278 VanDerWaalsContact C-N 3.32Å; S276-G278 PolarHBondContact O-N 3.47Å; G278-K280 PolarHBondContact O-N 3.47Å |
| 279 | P | 62.5 | Low | 68.6 | Low | 135 Ų | 135 | 118.1 Ų | 118.1 | 88% | 0.877 | 66% | 0.661 | S | S | * | * | trans | -64.1 | 106.8 | 173.1 | 28.1 | -31.5 | 0 | 0 | 0 | 107.3 | S281 | P279-S281 PolarHBondContact O-N 2.66Š| ||
| 280 | K | 61.3 | Low | 70 | Confident | 108 Ų | 108 | 121.6 Ų | 121.6 | 47% | 0.47 | 67% | 0.666 | S | S | . | * | trans | -66.8 | 131.1 | 172.3 | -67.8 | -178.2 | 174.4 | -163.4 | 0 | 107 | S276 G278 A282 F284 | S276-K280 VanDerWaalsContact OG-CE 3.26Å; S276-K280 WeakPolarHBondContact OG-CE 3.49Å; G278-K280 PolarHBondContact O-N 3.47Å; K280-A282 PolarHBondContact O-N 2.98Å; K280-F284 HydrophobicContact CB-CD1 4.21Å; K280-F284 HydrophobicContact CB-CE1 3.73Å; K280-F284 HydrophobicContact CD-CD1 3.82Å; K280-F284 HydrophobicContact CD-CE1 2.89Å; K280-F284 HydrophobicContact CD-CE2 4.18Å; K280-F284 HydrophobicContact CD-CZ 3.11Å; K280-F284 HydrophobicContact CG-CE1 3.92Å; K280-F284 HydrophobicContact CG-CZ 4.47Å; K280-F284 VanDerWaalsContact NZ-CE2 3.29Å | ||
| 281 | S | 66.4 | Low | 71.5 | Confident | 138 Ų | 138 | 118.6 Ų | 118.6 | 97% | 0.965 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -60.4 | -14.7 | -168.8 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | P279 | P279-S281 PolarHBondContact O-N 2.66Š|
| 282 | A | 65.5 | Low | 72.7 | Confident | 65 Ų | 65 | 110.8 Ų | 110.8 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -146 | 157 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | K280 F284 | K280-A282 PolarHBondContact O-N 2.98Å; A282-F284 WeakPolarHBondContact O-CD1 3.35Å; A282-F284 PolarHBondContact O-N 3.08Å |
| 283 | R | 67.9 | Low | 73.9 | Confident | 251 Ų | 251 | 110.8 Ų | 110.8 | 95% | 0.947 | 60% | 0.604 | S | S | * | * | trans | -67.3 | 124.8 | 165.9 | -62.9 | -170.1 | -175.8 | -166.7 | 2.4 | 108.1 | ||||
| 284 | F | 70.3 | Confident | 74.9 | Confident | 124 Ų | 124 | 110.4 Ų | 110.4 | 54% | 0.544 | 60% | 0.602 | S | S | . | * | trans | -121.1 | 129.8 | 173.5 | 56.4 | -71.4 | 0 | 0 | 0 | 106.7 | K280 A282 | K280-F284 HydrophobicContact CB-CD1 4.21Å; K280-F284 HydrophobicContact CB-CE1 3.73Å; K280-F284 HydrophobicContact CD-CD1 3.82Å; K280-F284 HydrophobicContact CD-CE1 2.89Å; K280-F284 HydrophobicContact CD-CE2 4.18Å; K280-F284 HydrophobicContact CD-CZ 3.11Å; K280-F284 HydrophobicContact CG-CE1 3.92Å; K280-F284 HydrophobicContact CG-CZ 4.47Å; K280-F284 VanDerWaalsContact NZ-CE2 3.29Å; A282-F284 WeakPolarHBondContact O-CD1 3.35Å; A282-F284 PolarHBondContact O-N 3.08Å | ||
| 285 | D | 77.1 | Confident | 75.8 | Confident | 109 Ų | 109 | 106.1 Ų | 106.1 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | trans | -74.2 | 156.1 | 172.7 | -63.7 | -33 | 0 | 0 | 0 | 110 | T289 | D285-T289 HydrophobicContact CB-CG2 4.31Š| ||
| 286 | S | 82.7 | Confident | 76.8 | Confident | 58 Ų | 58 | 105.2 Ų | 105.2 | 41% | 0.406 | 57% | 0.573 | S | S | . | * | trans | -61.8 | 151.9 | 172.8 | 84.9 | 0 | 0 | 0 | 0 | 110.2 | L288 T289 R290 | S286-L288 PolarHBondContact O-N 2.63Å; S286-L288 PolarHBondContact OG-N 3.08Å; S286-T289 WeakPolarHBondContact O-CB 3.5Å; S286-T289 PolarHBondContact O-N 3.42Å; S286-T289 PolarHBondContact OG-N 2.97Å; S286-T289 VanDerWaalsContact OG-N 3.1Å; S286-T289 PolarHBondContact OG-OG1 3.09Å; S286-R290 PolarHBondContact O-N 3.03Å | ||
| 287 | I | 81.5 | Confident | 77.8 | Confident | 134 Ų | 134 | 105.4 Ų | 105.4 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -55.3 | -37.5 | 177 | -64.6 | 169.2 | 0 | 0 | 0 | 110.5 | R290 N291 | I287-R290 PolarHBondContact O-N 3.08Å; I287-N291 WeakPolarHBondContact O-CB 3.49Å; I287-N291 VanDerWaalsContact O-CG 3.25Å; I287-N291 PolarHBondContact O-N 3.19Å |
| 288 | L | 82.2 | Confident | 79.2 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 55% | 0.55 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.8 | -50.6 | 175.6 | -67.8 | 171.7 | 0 | 0 | 0 | 111.6 | S286 R290 N291 V292 I308 | S286-L288 PolarHBondContact O-N 2.63Å; S286-L288 PolarHBondContact OG-N 3.08Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 3.33Å; L288-N291 PolarHBondContact O-N 3.37Å; L288-V292 WeakPolarHBondContact O-CG2 3.35Å; L288-V292 PolarHBondContact O-N 3.04Å; L288-I308 HydrophobicContact CD2-CG1 4.26Å |
| 289 | T | 85.9 | Confident | 80.2 | Confident | 60 Ų | 60 | 107 Ų | 107 | 37% | 0.368 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60 | -41.9 | 178.6 | -41.3 | 0 | 0 | 0 | 0 | 111.1 | D285 S286 N291 V292 N293 | D285-T289 HydrophobicContact CB-CG2 4.31Å; S286-T289 WeakPolarHBondContact O-CB 3.5Å; S286-T289 PolarHBondContact O-N 3.42Å; S286-T289 PolarHBondContact OG-N 2.97Å; S286-T289 VanDerWaalsContact OG-N 3.1Å; S286-T289 PolarHBondContact OG-OG1 3.09Å; T289-N291 PolarHBondContact O-N 3.2Å; T289-V292 PolarHBondContact O-N 3.24Å; T289-N293 WeakPolarHBondContact O-CB 3.48Å; T289-N293 VanDerWaalsContact O-CG 3.31Å; T289-N293 PolarHBondContact O-N 3.49Å |
| 290 | R | 86 | Confident | 81.5 | Confident | 188 Ų | 188 | 102.2 Ų | 102.2 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -38.4 | 177.7 | -168.8 | 174.9 | -176.5 | 161.2 | 1.5 | 112.2 | S286 I287 L288 K294 | S286-R290 PolarHBondContact O-N 3.03Å; I287-R290 PolarHBondContact O-N 3.08Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 3.33Å; R290-K294 WeakPolarHBondContact O-CB 3.18Å; R290-K294 PolarHBondContact O-N 3.43Å |
| 291 | N | 86.6 | Confident | 82.8 | Confident | 24 Ų | 24 | 102.8 Ų | 102.8 | 13% | 0.128 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -67.7 | -46.8 | 176.2 | -73.4 | -13.8 | 0 | 0 | 0 | 111 | I287 L288 T289 N293 K294 T295 V307 Y309 | I287-N291 WeakPolarHBondContact O-CB 3.49Å; I287-N291 VanDerWaalsContact O-CG 3.25Å; I287-N291 PolarHBondContact O-N 3.19Å; L288-N291 PolarHBondContact O-N 3.37Å; T289-N291 PolarHBondContact O-N 3.2Å; N291-N293 PolarHBondContact O-N 2.84Å; N291-K294 WeakPolarHBondContact O-CA 3.46Å; N291-K294 WeakPolarHBondContact O-CB 3.44Å; N291-K294 PolarHBondContact O-N 3.12Å; N291-T295 PolarHBondContact O-N 3.44Å; N291-T295 PolarHBondContact O-OG1 2.76Å; N291-V307 HydrophobicContact CB-CG1 3.75Å; N291-Y309 VanDerWaalsContact ND2-CE2 3.33Å; N291-Y309 WeakPolarHBondContact ND2-CE2 3.36Å |
| 292 | V | 87.8 | Confident | 83.9 | Confident | 58 Ų | 58 | 102.5 Ų | 102.5 | 35% | 0.352 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -54.2 | -51 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L288 T289 K294 T295 I296 V307 | L288-V292 WeakPolarHBondContact O-CG2 3.35Å; L288-V292 PolarHBondContact O-N 3.04Å; T289-V292 PolarHBondContact O-N 3.24Å; V292-K294 PolarHBondContact O-N 3.04Å; V292-T295 PolarHBondContact O-N 3.15Å; V292-I296 HydrophobicContact CG1-CD1 4.05Å; V292-I296 HydrophobicContact CG1-CG1 4.42Å; V292-I296 WeakPolarHBondContact O-CB 3.45Å; V292-I296 PolarHBondContact O-N 3.18Å; V292-V307 HydrophobicContact CG2-CB 4.32Å; V292-V307 HydrophobicContact CG2-CG1 3.92Å |
| 293 | N | 87.4 | Confident | 85 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -20.4 | 179.7 | -69.1 | -13 | 0 | 0 | 0 | 113.5 | T289 N291 | T289-N293 WeakPolarHBondContact O-CB 3.48Å; T289-N293 VanDerWaalsContact O-CG 3.31Å; T289-N293 PolarHBondContact O-N 3.49Å; N291-N293 PolarHBondContact O-N 2.84Å |
| 294 | K | 87.5 | Confident | 85.8 | Confident | 168 Ų | 168 | 94.8 Ų | 94.8 | 73% | 0.73 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -90.1 | -37.4 | 179.1 | -168.8 | -179.4 | 179 | -171.5 | 0 | 112.2 | R290 N291 V292 | R290-K294 WeakPolarHBondContact O-CB 3.18Å; R290-K294 PolarHBondContact O-N 3.43Å; N291-K294 WeakPolarHBondContact O-CA 3.46Å; N291-K294 WeakPolarHBondContact O-CB 3.44Å; N291-K294 PolarHBondContact O-N 3.12Å; V292-K294 PolarHBondContact O-N 3.04Å |
| 295 | T | 86.6 | Confident | 86.3 | Confident | 55 Ų | 55 | 98.9 Ų | 98.9 | 34% | 0.337 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -92.6 | -33.4 | -174.7 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | N291 V292 N300 V307 | N291-T295 PolarHBondContact O-N 3.44Å; N291-T295 PolarHBondContact O-OG1 2.76Å; V292-T295 PolarHBondContact O-N 3.15Å; T295-N300 PolarHBondContact O-ND2 3.25Å; T295-V307 HydrophobicContact CG2-CG1 4.31Å; T295-V307 WeakPolarHBondContact OG1-CG1 2.9Å; T295-V307 WeakPolarHBondContact OG1-CG2 3.46Å |
| 296 | I | 89.2 | Confident | 86.5 | Confident | 62 Ų | 62 | 98.1 Ų | 98.1 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | trans | -95.6 | 131.1 | -177.2 | -54.6 | -169.2 | 0 | 0 | 0 | 110.1 | V292 N300 F301 V307 | V292-I296 HydrophobicContact CG1-CD1 4.05Å; V292-I296 HydrophobicContact CG1-CG1 4.42Å; V292-I296 WeakPolarHBondContact O-CB 3.45Å; V292-I296 PolarHBondContact O-N 3.18Å; I296-N300 WeakPolarHBondContact CA-OD1 3.36Å; I296-F301 HydrophobicContact CG2-CB 3.78Å; I296-V307 HydrophobicContact CD1-CG2 3.94Å; I296-V307 HydrophobicContact CG1-CG2 4.02Å | ||
| 297 | N | 89.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | trans | -137 | 173.1 | 173.1 | 68.2 | 27.6 | 0 | 0 | 0 | 109.8 | S299 N300 F301 | N297-S299 VanDerWaalsContact CG-OG 3.3Å; N297-S299 PolarHBondContact ND2-OG 3.27Å; N297-S299 PolarHBondContact O-N 3.46Å; N297-S299 VanDerWaalsContact O-N 3.08Å; N297-S299 WeakPolarHBondContact OD1-CA 3.42Å; N297-S299 PolarHBondContact OD1-N 3.26Å; N297-S299 PolarHBondContact OD1-OG 2.78Å; N297-N300 PolarHBondContact N-OD1 3.43Å; N297-N300 PolarHBondContact O-N 3.16Å; N297-N300 PolarHBondContact O-OD1 3.19Å; N297-N300 VanDerWaalsContact O-OD1 3.1Å; N297-N300 PolarHBondContact OD1-N 2.98Å; N297-N300 PolarHBondContact OD1-OD1 3.2Å; N297-N300 VanDerWaalsContact OD1-OD1 3.08Å; N297-F301 PolarHBondContact O-N 3.34Å; N297-F301 VanDerWaalsContact O-N 3.16Å | ||
| 298 | S | 91.7 | Very high | 85.8 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 79% | 0.79 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.9 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | F301 | S298-F301 VanDerWaalsContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CE1 3.46Å |
| 299 | S | 89.5 | Confident | 84.8 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 69% | 0.685 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -15.3 | 179.5 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | N297 | N297-S299 VanDerWaalsContact CG-OG 3.3Å; N297-S299 PolarHBondContact ND2-OG 3.27Å; N297-S299 PolarHBondContact O-N 3.46Å; N297-S299 VanDerWaalsContact O-N 3.08Å; N297-S299 WeakPolarHBondContact OD1-CA 3.42Å; N297-S299 PolarHBondContact OD1-N 3.26Å; N297-S299 PolarHBondContact OD1-OG 2.78Å |
| 300 | N | 89.8 | Confident | 82.8 | Confident | 35 Ų | 35 | 105.9 Ų | 105.9 | 19% | 0.187 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -128.5 | 2.5 | -172.3 | 75.1 | 4.3 | 0 | 0 | 0 | 114.5 | T295 I296 N297 D302 T303 V304 | T295-N300 PolarHBondContact O-ND2 3.25Å; I296-N300 WeakPolarHBondContact CA-OD1 3.36Å; N297-N300 PolarHBondContact N-OD1 3.43Å; N297-N300 PolarHBondContact O-N 3.16Å; N297-N300 PolarHBondContact O-OD1 3.19Å; N297-N300 VanDerWaalsContact O-OD1 3.1Å; N297-N300 PolarHBondContact OD1-N 2.98Å; N297-N300 PolarHBondContact OD1-OD1 3.2Å; N297-N300 VanDerWaalsContact OD1-OD1 3.08Å; N300-D302 PolarHBondContact O-N 3.26Å; N300-T303 WeakPolarHBondContact CA-OG1 3.5Å; N300-T303 PolarHBondContact O-N 3.13Å; N300-T303 PolarHBondContact O-OG1 2.98Å; N300-T303 VanDerWaalsContact O-OG1 3.09Å; N300-V304 HydrophobicContact CB-CG2 4.12Å; N300-V304 WeakPolarHBondContact O-CG2 3.45Å; N300-V304 PolarHBondContact O-N 2.87Å; N300-V304 VanDerWaalsContact O-N 3.08Å |
| 301 | F | 87.7 | Confident | 82.6 | Confident | 119 Ų | 119 | 101.8 Ų | 101.8 | 52% | 0.522 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | -31.4 | -178.6 | 75.8 | -81 | 0 | 0 | 0 | 113.1 | I296 N297 S298 | I296-F301 HydrophobicContact CG2-CB 3.78Å; N297-F301 PolarHBondContact O-N 3.34Å; N297-F301 VanDerWaalsContact O-N 3.16Å; S298-F301 VanDerWaalsContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CE1 3.46Å |
| 302 | D | 89 | Confident | 82.4 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 71% | 0.711 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -18.7 | 177 | -72.3 | -29.4 | 0 | 0 | 0 | 114.1 | N300 | N300-D302 PolarHBondContact O-N 3.26Š|
| 303 | T | 89.4 | Confident | 82.1 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -26.1 | -175 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | N300 K305 | N300-T303 WeakPolarHBondContact CA-OG1 3.5Å; N300-T303 PolarHBondContact O-N 3.13Å; N300-T303 PolarHBondContact O-OG1 2.98Å; N300-T303 VanDerWaalsContact O-OG1 3.09Å; T303-K305 PolarHBondContact O-N 3.39Å |
| 304 | V | 84.4 | Confident | 81.8 | Confident | 48 Ų | 48 | 108.2 Ų | 108.2 | 29% | 0.291 | 59% | 0.592 | S | S | . | * | trans | -81.1 | 107.8 | -176.8 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | N300 V307 | N300-V304 HydrophobicContact CB-CG2 4.12Å; N300-V304 WeakPolarHBondContact O-CG2 3.45Å; N300-V304 PolarHBondContact O-N 2.87Å; N300-V304 VanDerWaalsContact O-N 3.08Å; V304-V307 HydrophobicContact CG1-CG2 3.85Å | ||
| 305 | K | 81.5 | Confident | 81.4 | Confident | 210 Ų | 210 | 104.5 Ų | 104.5 | 91% | 0.913 | 58% | 0.583 | S | S | * | * | trans | -80.3 | -26.2 | -179.6 | -68.6 | -176.2 | 178.2 | 179.6 | 0 | 114.9 | T303 | T303-K305 PolarHBondContact O-N 3.39Š| ||
| 306 | S | 81.5 | Confident | 81.1 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | trans | -157.4 | 145.6 | 179.3 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 307 | V | 75.8 | Confident | 80.5 | Confident | 31 Ų | 31 | 111.1 Ų | 111.1 | 19% | 0.188 | 62% | 0.62 | C | S | . | * | trans | -118 | 2 | -176 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | N291 V292 T295 I296 V304 | N291-V307 HydrophobicContact CB-CG1 3.75Å; V292-V307 HydrophobicContact CG2-CB 4.32Å; V292-V307 HydrophobicContact CG2-CG1 3.92Å; T295-V307 HydrophobicContact CG2-CG1 4.31Å; T295-V307 WeakPolarHBondContact OG1-CG1 2.9Å; T295-V307 WeakPolarHBondContact OG1-CG2 3.46Å; I296-V307 HydrophobicContact CD1-CG2 3.94Å; I296-V307 HydrophobicContact CG1-CG2 4.02Å; V304-V307 HydrophobicContact CG1-CG2 3.85Å | ||
| 308 | I | 72.6 | Confident | 79.8 | Confident | 127 Ų | 127 | 113.4 Ų | 113.4 | 65% | 0.651 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -87.9 | 127.9 | -179.8 | -56.3 | 175.6 | 0 | 0 | 0 | 108 | L288 S310 | L288-I308 HydrophobicContact CD2-CG1 4.26Å; I308-S310 PolarHBondContact O-N 3.33Å |
| 309 | Y | 61.1 | Low | 78.8 | Confident | 170 Ų | 170 | 113.4 Ų | 113.4 | 67% | 0.667 | 62% | 0.621 | S | S | * | * | trans | -62.6 | 125.1 | 173.4 | -75.8 | -88.9 | 0 | 0 | 0 | 110.1 | N291 | N291-Y309 VanDerWaalsContact ND2-CE2 3.33Å; N291-Y309 WeakPolarHBondContact ND2-CE2 3.36Å | ||
| 310 | S | 43.6 | Very low | 77.9 | Confident | 191 Ų | 191 | 114.8 Ų | 114.8 | 100% | 1.336 | 62% | 0.615 | S | S | * | * | trans | -70.8 | 0 | 152.7 | -39.9 | 0 | 0 | 0 | 0 | 110.2 | I308 | I308-S310 PolarHBondContact O-N 3.33Š|
Retrieved 310 of 310 residues in 64.2 ms
(Link to these results)