| 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 | 35 | Very low | 42.1 | Very low | 241 Ų | 241 | 161.7 Ų | 161.7 | 100% | 1.187 | 87% | 0.866 | S | S | * | * | 0 | 108.9 | 0 | -71.5 | 169.3 | 132.9 | 0 | 0 | 108 | S3 | M1-S3 PolarHBondContact O-N 2.93Š| |||
| 2 | N | 35.8 | Very low | 42.4 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 95% | 0.952 | 85% | 0.846 | S | S | * | * | trans | -76.2 | 102.1 | 178.5 | -70.8 | -31.1 | 0 | 0 | 0 | 109.1 | A4 | N2-A4 PolarHBondContact O-N 3.21Š| ||
| 3 | S | 39.4 | Very low | 42.7 | Very low | 116 Ų | 116 | 156.6 Ų | 156.6 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -94.3 | 90.8 | 179.7 | -166 | 0 | 0 | 0 | 0 | 111.1 | M1 H5 | M1-S3 PolarHBondContact O-N 2.93Å; S3-H5 PolarHBondContact O-N 3.1Å | ||
| 4 | A | 44.2 | Very low | 43.2 | Very low | 86 Ų | 86 | 150.1 Ų | 150.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 25.1 | 86.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | N2 G6 | N2-A4 PolarHBondContact O-N 3.21Å; A4-G6 PolarHBondContact O-N 3.35Å | ||
| 5 | H | 43.3 | Very low | 43.5 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 96% | 0.963 | 78% | 0.782 | S | S | * | * | trans | -62.2 | 112.7 | 144.4 | -84.4 | -66.4 | 0 | 0 | 0 | 109.2 | S3 | S3-H5 PolarHBondContact O-N 3.1Š| ||
| 6 | G | 37.9 | Very low | 43.7 | Very low | 69 Ų | 69 | 144.9 Ų | 144.9 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -180 | -10.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | A4 A8 | A4-G6 PolarHBondContact O-N 3.35Å; G6-A8 PolarHBondContact O-N 3.07Å | ||
| 7 | V | 43 | Very low | 44 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -102.3 | 59.4 | -173.3 | -165 | 0 | 0 | 0 | 0 | 112 | ||
| 8 | A | 47.1 | Very low | 44 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -138.7 | -18.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G6 | G6-A8 PolarHBondContact O-N 3.07Š|
| 9 | K | 48.9 | Very low | 44.7 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 4.4 | -175.2 | -149.7 | 168.9 | -176.8 | 177 | 0 | 115.3 | ||
| 10 | R | 45 | Very low | 44.7 | Very low | 225 Ų | 225 | 140.9 Ų | 140.9 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -8.2 | -179 | -157.2 | 178.1 | -105.3 | -150.4 | -1.7 | 114.2 | Q12 | R10-Q12 PolarHBondContact O-N 2.74Š|
| 11 | R | 43.2 | Very low | 44.9 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 19 | -173.3 | -70.9 | -171.3 | 178.9 | 169.9 | 0.2 | 116.4 | ||
| 12 | Q | 46.4 | Very low | 45.5 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 1.8 | 179.8 | -73.1 | -86.8 | -80.8 | 0 | 0 | 114.7 | R10 D15 | R10-Q12 PolarHBondContact O-N 2.74Å; Q12-D15 PolarHBondContact NE2-OD2 2.65Å |
| 13 | I | 46.4 | Very low | 46.1 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -87.2 | -27.3 | 175.9 | -62.1 | 174 | 0 | 0 | 0 | 111.4 | K17 | I13-K17 PolarHBondContact O-N 2.9Å |
| 14 | S | 48.8 | Very low | 46.6 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -67.4 | -34.4 | 175.9 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | L16 K17 F18 | S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.81Å; S14-K17 PolarHBondContact O-N 3.22Å; S14-F18 PolarHBondContact O-N 2.97Å |
| 15 | D | 48 | Very low | 46.9 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 49% | 0.492 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -73.7 | -27.2 | -176 | -57.5 | -14.3 | 0 | 0 | 0 | 111.7 | Q12 | Q12-D15 PolarHBondContact NE2-OD2 2.65Å |
| 16 | L | 46.1 | Very low | 46.9 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77 | -27.2 | 173 | -87.3 | 134.7 | 0 | 0 | 0 | 113.1 | S14 S19 | S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.81Å; L16-S19 PolarHBondContact O-N 3.21Å |
| 17 | K | 49.5 | Very low | 47.3 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.8 | -34.5 | 173.3 | -78.9 | -157.9 | 175.1 | -166.5 | 0 | 112.1 | I13 S14 S19 | I13-K17 PolarHBondContact O-N 2.9Å; S14-K17 PolarHBondContact O-N 3.22Å; K17-S19 PolarHBondContact O-N 2.99Å |
| 18 | F | 43.7 | Very low | 47.6 | Very low | 160 Ų | 160 | 123 Ų | 123 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.7 | -17.2 | 174.8 | -97.6 | -84.1 | 0 | 0 | 0 | 114.2 | S14 S22 | S14-F18 PolarHBondContact O-N 2.97Å; F18-S22 PolarHBondContact O-OG 2.89Å |
| 19 | S | 58.6 | Low | 47.5 | Very low | 64 Ų | 64 | 125.7 Ų | 125.7 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -85.4 | -13.4 | -179.1 | -168.4 | 0 | 0 | 0 | 0 | 114.6 | L16 K17 S22 I23 | L16-S19 PolarHBondContact O-N 3.21Å; K17-S19 PolarHBondContact O-N 2.99Å; S19-S22 PolarHBondContact O-OG 3.04Å; S19-I23 WeakPolarHBondContact O-CD1 3.25Å |
| 20 | I | 43.4 | Very low | 47.5 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 59% | 0.59 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -96.7 | -34.9 | -179 | -62.7 | 178.4 | 0 | 0 | 0 | 111.2 | I23 | I20-I23 PolarHBondContact O-N 3.38Å |
| 21 | E | 50 | Low | 47.6 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.7 | -32.3 | 176.8 | -73.8 | -179 | 169.2 | 0 | 0 | 112.3 | I23 L24 D25 | E21-I23 PolarHBondContact O-N 2.88Å; E21-L24 PolarHBondContact O-N 3.07Å; E21-L24 VanDerWaalsContact O-N 3.09Å; E21-D25 PolarHBondContact O-N 2.82Å; E21-D25 VanDerWaalsContact O-N 3.11Å |
| 22 | S | 47.4 | Very low | 47.8 | Very low | 73 Ų | 73 | 114.9 Ų | 114.9 | 51% | 0.51 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67 | -21.3 | 175.3 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | F18 S19 G26 | F18-S22 PolarHBondContact O-OG 2.89Å; S19-S22 PolarHBondContact O-OG 3.04Å; S22-G26 PolarHBondContact O-N 3.34Å |
| 23 | I | 48.5 | Very low | 47.6 | Very low | 109 Ų | 109 | 116.4 Ų | 116.4 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -82.5 | -24.2 | 175 | -61.5 | 174.6 | 0 | 0 | 0 | 111.3 | S19 I20 E21 | S19-I23 WeakPolarHBondContact O-CD1 3.25Å; I20-I23 PolarHBondContact O-N 3.38Å; E21-I23 PolarHBondContact O-N 2.88Å |
| 24 | L | 50 | Low | 47.6 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -84 | -30.2 | 176.2 | -71.1 | 170.7 | 0 | 0 | 0 | 112.4 | E21 | E21-L24 PolarHBondContact O-N 3.07Å; E21-L24 VanDerWaalsContact O-N 3.09Å |
| 25 | D | 49.2 | Very low | 47.3 | Very low | 103 Ų | 103 | 124 Ų | 124 | 55% | 0.551 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -79.7 | -31 | 174.3 | -75.7 | -28.5 | 0 | 0 | 0 | 113.2 | E21 N27 K28 | E21-D25 PolarHBondContact O-N 2.82Å; E21-D25 VanDerWaalsContact O-N 3.11Å; D25-N27 PolarHBondContact O-N 3.24Å; D25-K28 PolarHBondContact O-N 3.37Å; D25-K28 VanDerWaalsContact O-N 3.15Å |
| 26 | G | 44 | Very low | 47.1 | Very low | 48 Ų | 48 | 125.8 Ų | 125.8 | 50% | 0.495 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61 | -26.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S22 | S22-G26 PolarHBondContact O-N 3.34Å |
| 27 | N | 46.8 | Very low | 46.9 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 48% | 0.481 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -83.9 | -20.1 | 177.8 | -82.9 | -39.3 | 0 | 0 | 0 | 114 | D25 Q31 | D25-N27 PolarHBondContact O-N 3.24Å; N27-Q31 WeakPolarHBondContact O-CB 3.5Å; N27-Q31 PolarHBondContact O-N 2.65Å |
| 28 | K | 48.8 | Very low | 46.9 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.6 | -34.6 | 178.6 | -84.1 | -176.3 | 177.8 | 174 | 0 | 112.7 | D25 Q31 Q32 | D25-K28 PolarHBondContact O-N 3.37Å; D25-K28 VanDerWaalsContact O-N 3.15Å; K28-Q31 PolarHBondContact O-N 2.68Å; K28-Q32 PolarHBondContact O-N 3.36Å |
| 29 | Q | 46 | Very low | 46.9 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 70% | 0.696 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.7 | -33.5 | 178.1 | -67.2 | -169.6 | -10.2 | 0 | 0 | 112.5 | Q31 | Q29-Q31 VanDerWaalsContact C-N 3.35Å |
| 30 | Q | 48.3 | Very low | 46.4 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.6 | -28.9 | 170.4 | -99.1 | 179.8 | 13.8 | 0 | 0 | 112.8 | Q33 R34 | Q30-Q33 PolarHBondContact O-N 2.84Å; Q30-R34 PolarHBondContact O-N 2.83Å |
| 31 | Q | 47.6 | Very low | 46.3 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.8 | -38.5 | 173.9 | -113.5 | 161.4 | 8.6 | 0 | 0 | 112.4 | N27 K28 Q29 Q33 R34 L35 | N27-Q31 WeakPolarHBondContact O-CB 3.5Å; N27-Q31 PolarHBondContact O-N 2.65Å; K28-Q31 PolarHBondContact O-N 2.68Å; Q29-Q31 VanDerWaalsContact C-N 3.35Å; Q31-Q33 VanDerWaalsContact C-N 3.31Å; Q31-Q33 PolarHBondContact O-N 3.34Å; Q31-R34 PolarHBondContact O-N 3.03Å; Q31-R34 VanDerWaalsContact O-N 3.13Å; Q31-L35 WeakPolarHBondContact O-CG 3.03Å; Q31-L35 PolarHBondContact O-N 2.98Å |
| 32 | Q | 46.6 | Very low | 45.9 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.9 | -31.2 | 177.7 | -76.6 | 170.4 | 14.2 | 0 | 0 | 113.3 | K28 R34 | K28-Q32 PolarHBondContact O-N 3.36Å; Q32-R34 VanDerWaalsContact C-N 3.27Å; Q32-R34 PolarHBondContact O-N 3.11Å |
| 33 | Q | 42.9 | Very low | 45.5 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 78% | 0.776 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.5 | -9.5 | 175.9 | -63.4 | -175 | 25.8 | 0 | 0 | 113.8 | Q30 Q31 | Q30-Q33 PolarHBondContact O-N 2.84Å; Q31-Q33 VanDerWaalsContact C-N 3.31Å; Q31-Q33 PolarHBondContact O-N 3.34Å |
| 34 | R | 46.5 | Very low | 45.5 | Very low | 208 Ų | 208 | 128.3 Ų | 128.3 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -101.2 | -4.9 | 176.9 | -154.1 | 177.3 | -171.1 | -133.7 | 0.6 | 113.9 | Q30 Q31 Q32 T36 A37 | Q30-R34 PolarHBondContact O-N 2.83Å; Q31-R34 PolarHBondContact O-N 3.03Å; Q31-R34 VanDerWaalsContact O-N 3.13Å; Q32-R34 VanDerWaalsContact C-N 3.27Å; Q32-R34 PolarHBondContact O-N 3.11Å; R34-T36 VanDerWaalsContact C-N 3.26Å; R34-T36 PolarHBondContact O-N 3Å; R34-A37 PolarHBondContact O-N 2.64Å |
| 35 | L | 40.9 | Very low | 46.1 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 12.7 | -175.3 | -71.8 | 175.4 | 0 | 0 | 0 | 115.3 | Q31 | Q31-L35 WeakPolarHBondContact O-CG 3.03Å; Q31-L35 PolarHBondContact O-N 2.98Å |
| 36 | T | 45.2 | Very low | 46 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 17.2 | 166 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | R34 T38 | R34-T36 VanDerWaalsContact C-N 3.26Å; R34-T36 PolarHBondContact O-N 3Å; T36-T38 PolarHBondContact O-N 2.94Å |
| 37 | A | 42.4 | Very low | 46.8 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | trans | -71.6 | 96.3 | 165 | 0 | 0 | 0 | 0 | 0 | 108.7 | R34 L39 | R34-A37 PolarHBondContact O-N 2.64Å; A37-L39 PolarHBondContact O-N 3.19Å | ||
| 38 | T | 48.4 | Very low | 47.1 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | trans | -43.1 | 116.2 | 166.5 | -60.9 | 0 | 0 | 0 | 0 | 108.7 | T36 | T36-T38 PolarHBondContact O-N 2.94Š| ||
| 39 | L | 44.3 | Very low | 46.9 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.7 | 177.9 | -73.6 | 169.7 | 0 | 0 | 0 | 108.4 | A37 Q41 | A37-L39 PolarHBondContact O-N 3.19Å; L39-Q41 PolarHBondContact O-N 3.16Å |
| 40 | P | 48 | Very low | 47.1 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 49% | 0.494 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 118.2 | 175.3 | -24.5 | 32.8 | 0 | 0 | 0 | 109.4 | W42 L48 | P40-W42 PolarHBondContact O-N 3.19Å; P40-W42 PolarHBondContact O-NE1 2.76Å; P40-L48 HydrophobicContact CB-CD1 3.99Å |
| 41 | Q | 40.1 | Very low | 46.9 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 117.7 | 173.8 | -173.4 | -168.8 | -14.6 | 0 | 0 | 107.8 | L39 S43 | L39-Q41 PolarHBondContact O-N 3.16Å; Q41-S43 PolarHBondContact O-N 3.22Å |
| 42 | W | 43.1 | Very low | 46.6 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 124.2 | 172.5 | -51.5 | 65.2 | 0 | 0 | 0 | 106.8 | P40 | P40-W42 PolarHBondContact O-N 3.19Å; P40-W42 PolarHBondContact O-NE1 2.76Å |
| 43 | S | 37.4 | Very low | 46.2 | Very low | 36 Ų | 36 | 138.6 Ų | 138.6 | 25% | 0.252 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 156.3 | 162.2 | 73.9 | 0 | 0 | 0 | 0 | 108.8 | Q41 T45 G46 | Q41-S43 PolarHBondContact O-N 3.22Å; S43-T45 PolarHBondContact O-N 3.37Å; S43-T45 PolarHBondContact OG-N 3.47Å; S43-T45 PolarHBondContact OG-OG1 3Å; S43-G46 PolarHBondContact O-N 2.83Å |
| 44 | P | 49.9 | Very low | 46 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 95% | 0.948 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -14.7 | 174.7 | -27.7 | 35.9 | 0 | 0 | 0 | 114.7 | ||
| 45 | T | 61.3 | Low | 45.7 | Very low | 110 Ų | 110 | 134 Ų | 134 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 6.5 | 177.1 | 34.6 | 0 | 0 | 0 | 0 | 114.8 | S43 Y47 | S43-T45 PolarHBondContact O-N 3.37Å; S43-T45 PolarHBondContact OG-N 3.47Å; S43-T45 PolarHBondContact OG-OG1 3Å; T45-Y47 VanDerWaalsContact O-CD2 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.16Å; T45-Y47 WeakPolarHBondContact O-CE2 3.43Å; T45-Y47 PolarHBondContact O-N 3.31Å |
| 46 | G | 47.2 | Very low | 45.5 | Very low | 54 Ų | 54 | 133.9 Ų | 133.9 | 56% | 0.557 | 73% | 0.729 | S | S | * | * | trans | 74.9 | 22.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S43 | S43-G46 PolarHBondContact O-N 2.83Š| ||
| 47 | Y | 61.3 | Low | 44.9 | Very low | 172 Ų | 172 | 138 Ų | 138 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 139.1 | 176 | -68.1 | -82.9 | 0 | 0 | 0 | 112.2 | T45 | T45-Y47 VanDerWaalsContact O-CD2 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.16Å; T45-Y47 WeakPolarHBondContact O-CE2 3.43Å; T45-Y47 PolarHBondContact O-N 3.31Å |
| 48 | L | 53.2 | Low | 44.5 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 123.8 | 179 | -141 | 76.8 | 0 | 0 | 0 | 109.8 | P40 P50 | P40-L48 HydrophobicContact CB-CD1 3.99Å; L48-P50 WeakPolarHBondContact O-CD 3.37Å |
| 49 | I | 43.8 | Very low | 43.9 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 117.9 | 174.4 | -58.9 | 178 | 0 | 0 | 0 | 108.5 | ||
| 50 | P | 50.6 | Low | 43.5 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.8 | -177.3 | -18.3 | 33.4 | 0 | 0 | 0 | 113.4 | L48 | L48-P50 WeakPolarHBondContact O-CD 3.37Š|
| 51 | D | 43.7 | Very low | 43.1 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 128.9 | -179.7 | -130.9 | -36.7 | 0 | 0 | 0 | 111.9 | K53 | D51-K53 PolarHBondContact O-N 3.03Å; D51-K53 VanDerWaalsContact O-N 3.14Å |
| 52 | Q | 41 | Very low | 42.6 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | trans | -81.5 | 84.8 | 180 | -82.7 | -161.5 | -67.6 | 0 | 0 | 111.4 | ||||
| 53 | K | 39.5 | Very low | 42.2 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -153.3 | 83.7 | 157.5 | -147.6 | 170.9 | -174.3 | 174.6 | 0 | 111.8 | D51 | D51-K53 PolarHBondContact O-N 3.03Å; D51-K53 VanDerWaalsContact O-N 3.14Å | ||
| 54 | V | 37.7 | Very low | 42.1 | Very low | 135 Ų | 135 | 150 Ų | 150 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -111 | 122.9 | 166 | -73.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 55 | N | 40.7 | Very low | 41.3 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -137.3 | 97.6 | 160.8 | -81.1 | -35.4 | 0 | 0 | 0 | 106.7 | ||||
| 56 | D | 37 | Very low | 40.1 | Very low | 138 Ų | 138 | 155.1 Ų | 155.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 36 | 90.7 | 136.6 | -54.6 | -23.1 | 0 | 0 | 0 | 119.2 | ||||
| 57 | F | 33.5 | Very low | 39.4 | Very low | 214 Ų | 214 | 156.1 Ų | 156.1 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | S | Bend | -161.1 | 119.1 | 125.5 | -130.3 | -101.1 | 0 | 0 | 0 | 109.3 | |||
| 58 | N | 32.1 | Very low | 38.1 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | 101 | 49.5 | 178 | -142.9 | 2.3 | 0 | 0 | 0 | 117 | K60 | N58-K60 VanDerWaalsContact C-N 3.26Å; N58-K60 PolarHBondContact O-N 3.28Å; N58-K60 VanDerWaalsContact O-N 3.1Å | ||
| 59 | E | 37.2 | Very low | 37.2 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -73 | 75.6 | 154.8 | -161.2 | -170.4 | -168.6 | 0 | 0 | 109.4 | ||||
| 60 | K | 34.7 | Very low | 37 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | -152.8 | 44.2 | 167.2 | -126.9 | 172.3 | -170.1 | 178.3 | 0 | 114.3 | N58 Y62 | N58-K60 VanDerWaalsContact C-N 3.26Å; N58-K60 PolarHBondContact O-N 3.28Å; N58-K60 VanDerWaalsContact O-N 3.1Å; K60-Y62 HydrophobicContact CG-CD2 4.36Å; K60-Y62 HydrophobicContact CG-CE2 3.79Å | ||
| 61 | L | 39.6 | Very low | 36.7 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -122.5 | 90.9 | 150.2 | -74.5 | 175.3 | 0 | 0 | 0 | 107.8 | F63 | L61-F63 PolarHBondContact O-N 3.23Å; L61-F63 VanDerWaalsContact O-N 3.12Å |
| 62 | Y | 30.1 | Very low | 36.6 | Very low | 191 Ų | 191 | 156.4 Ų | 156.4 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -52.1 | 107.6 | 175.5 | -75.2 | -100.7 | 0 | 0 | 0 | 111.2 | K60 | K60-Y62 HydrophobicContact CG-CD2 4.36Å; K60-Y62 HydrophobicContact CG-CE2 3.79Å | ||
| 63 | F | 35.3 | Very low | 37.2 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -80.2 | 115.7 | 135.4 | -97.8 | -93.4 | 0 | 0 | 0 | 106.2 | L61 K65 | L61-F63 PolarHBondContact O-N 3.23Å; L61-F63 VanDerWaalsContact O-N 3.12Å; F63-K65 PolarHBondContact O-N 3.17Å | ||
| 64 | G | 34.6 | Very low | 38.1 | Very low | 61 Ų | 61 | 151.9 Ų | 151.9 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | trans | -53 | 121.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L66 | G64-L66 PolarHBondContact O-N 3.06Š| ||
| 65 | K | 34.2 | Very low | 39.1 | Very low | 194 Ų | 194 | 150.4 Ų | 150.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -56.6 | 95.3 | 164.4 | -80.2 | 173.5 | 173.4 | 172.2 | 0 | 108.7 | F63 | F63-K65 PolarHBondContact O-N 3.17Š| ||
| 66 | L | 36.3 | Very low | 40.4 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 133.1 | 154.1 | -64 | -178.5 | 0 | 0 | 0 | 107.1 | G64 | G64-L66 PolarHBondContact O-N 3.06Š|
| 67 | G | 31.7 | Very low | 42.2 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 151.1 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116 | G69 | G67-G69 PolarHBondContact O-N 3.17Š|
| 68 | A | 34.5 | Very low | 44.4 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 93% | 0.934 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 127.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 69 | G | 34 | Very low | 46.4 | Very low | 61 Ų | 61 | 134.5 Ų | 134.5 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | 160.9 | 89.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G67 | G67-G69 PolarHBondContact O-N 3.17Š| ||
| 70 | N | 40.2 | Very low | 48.3 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 72.5 | 126 | 175.6 | -56.5 | -19.4 | 0 | 0 | 0 | 115.5 | R72 | N70-R72 VanDerWaalsContact C-N 3.26Å; N70-R72 PolarHBondContact O-N 2.83Å |
| 71 | N | 43.7 | Very low | 50 | Low | 175 Ų | 175 | 123.9 Ų | 123.9 | 94% | 0.936 | 70% | 0.698 | S | S | * | * | trans | -51.1 | 79 | 174.7 | -60.1 | -68.4 | 0 | 0 | 0 | 112.2 | A73 | N71-A73 VanDerWaalsContact C-N 3.32Å; N71-A73 PolarHBondContact O-N 3.48Å; N71-A73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | R | 40.6 | Very low | 51.4 | Low | 231 Ų | 231 | 117.9 Ų | 117.9 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | trans | -77 | 94.4 | 161.2 | -73.9 | -169.3 | -157.7 | -143.7 | 3.8 | 106.1 | N70 F74 | N70-R72 VanDerWaalsContact C-N 3.26Å; N70-R72 PolarHBondContact O-N 2.83Å; R72-F74 PolarHBondContact O-N 3.29Å | ||
| 73 | A | 54.1 | Low | 53.2 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | trans | -44.6 | 127.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | N71 | N71-A73 VanDerWaalsContact C-N 3.32Å; N71-A73 PolarHBondContact O-N 3.48Å; N71-A73 VanDerWaalsContact O-N 3.1Å | ||
| 74 | F | 57.8 | Low | 54.6 | Low | 197 Ų | 197 | 110.1 Ų | 110.1 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 127.2 | 177.9 | -71.2 | -87.6 | 0 | 0 | 0 | 108.9 | R72 | R72-F74 PolarHBondContact O-N 3.29Š|
| 75 | P | 59.9 | Low | 55.8 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.9 | 177.8 | 25 | -32.3 | 0 | 0 | 0 | 109.3 | ||
| 76 | P | 68 | Low | 57.1 | Low | 76 Ų | 76 | 104.2 Ų | 104.2 | 49% | 0.494 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 149.2 | 178.5 | 24.5 | -34.1 | 0 | 0 | 0 | 110.6 | N78 A110 | P76-N78 PolarHBondContact O-N 3.29Å; P76-A110 VanDerWaalsContact O-CB 3.27Å; P76-A110 WeakPolarHBondContact O-CB 3.49Å |
| 77 | P | 75.2 | Confident | 57.9 | Low | 108 Ų | 108 | 99.8 Ų | 99.8 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -62.7 | -19.9 | -177.3 | 25.3 | -34.6 | 0 | 0 | 0 | 113 | A110 | P77-A110 PolarHBondContact O-N 3.28Š|
| 78 | N | 78.3 | Confident | 58.5 | Low | 76 Ų | 76 | 103 Ų | 103 | 41% | 0.406 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.7 | 151 | 177.7 | -54.2 | -68.1 | 0 | 0 | 0 | 110.5 | P76 T107 V108 P109 | P76-N78 PolarHBondContact O-N 3.29Å; N78-T107 HydrophobicContact CB-CG2 3.47Å; N78-T107 VanDerWaalsContact CB-CG2 3.47Å; N78-V108 CarbonylContact C-O 3.45Å; N78-V108 WeakPolarHBondContact CA-O 3.41Å; N78-V108 WeakPolarHBondContact CB-O 3.45Å; N78-P109 WeakPolarHBondContact OD1-CA 3.4Å |
| 79 | V | 74.6 | Confident | 59.1 | Low | 47 Ų | 47 | 101.3 Ų | 101.3 | 29% | 0.285 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.1 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | V81 V108 A110 | V79-V81 HydrophobicContact CG1-CG2 4.12Å; V79-V108 PolarHBondContact N-O 2.93Å; V79-V108 PolarHBondContact O-N 3.19Å; V79-A110 HydrophobicContact CG2-CB 4.03Å |
| 80 | V | 76.6 | Confident | 59.5 | Low | 92 Ų | 92 | 102.5 Ų | 102.5 | 56% | 0.558 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.2 | 173 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V105 L106 | V80-V105 HydrophobicContact CG1-CB 3.68Å; V80-V105 HydrophobicContact CG1-CG1 4.18Å; V80-V105 HydrophobicContact CG1-CG2 4.12Å; V80-L106 CarbonylContact C-O 3.32Å; V80-L106 WeakPolarHBondContact CA-O 3.34Å |
| 81 | V | 70.1 | Confident | 59.9 | Low | 8 Ų | 8 | 100.3 Ų | 100.3 | 5% | 0.048 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.6 | -179.3 | -176 | 0 | 0 | 0 | 0 | 109.8 | V79 R85 V105 L106 V108 V120 | V79-V81 HydrophobicContact CG1-CG2 4.12Å; V81-R85 HydrophobicContact CG1-CB 3.77Å; V81-V105 CarbonylContact O-C 3.48Å; V81-V105 WeakPolarHBondContact O-CA 3.19Å; V81-L106 PolarHBondContact N-O 2.94Å; V81-L106 PolarHBondContact O-N 2.93Å; V81-V108 HydrophobicContact CG2-CG2 3.95Å; V81-V120 HydrophobicContact CB-CG1 4.19Å; V81-V120 HydrophobicContact CG1-CG1 3.93Å; V81-V120 HydrophobicContact CG2-CG1 3.91Å |
| 82 | S | 70.5 | Confident | 60 | Low | 47 Ų | 47 | 96.6 Ų | 96.6 | 33% | 0.329 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 139.4 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | D84 R85 S104 | S82-D84 PolarHBondContact O-N 3.44Å; S82-R85 WeakPolarHBondContact O-CB 3.5Å; S82-R85 PolarHBondContact O-N 3.39Å; S82-S104 CarbonylContact C-O 3.59Å; S82-S104 VanDerWaalsContact CA-O 3.29Å; S82-S104 WeakPolarHBondContact CA-O 3.43Å |
| 83 | R | 66.6 | Low | 60.5 | Low | 79 Ų | 79 | 93.4 Ų | 93.4 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -57.4 | -35.9 | -179.8 | -171.2 | 171.1 | 175.9 | 105.2 | 1 | 112.3 | R85 L86 L100 N101 A103 S104 | R83-R85 PolarHBondContact O-N 3.34Å; R83-R85 VanDerWaalsContact O-N 3.16Å; R83-L86 HydrophobicContact CG-CD1 4.07Å; R83-L86 WeakPolarHBondContact O-CB 3.35Å; R83-L86 WeakPolarHBondContact O-CG 3.45Å; R83-L86 PolarHBondContact O-N 2.89Å; R83-L100 PolarHBondContact NH1-O 3.09Å; R83-L100 VanDerWaalsContact NH1-O 3.12Å; R83-N101 VanDerWaalsContact CZ-O 3.29Å; R83-N101 PolarHBondContact NH1-O 3Å; R83-A103 VanDerWaalsContact CD-O 3.31Å; R83-A103 WeakPolarHBondContact CD-O 3.47Å; R83-S104 PolarHBondContact N-O 3.01Å |
| 84 | D | 64.5 | Low | 60.3 | Low | 156 Ų | 156 | 91.7 Ų | 91.7 | 83% | 0.834 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -65.9 | -15 | 177.2 | -50.5 | -38.6 | 0 | 0 | 0 | 113.6 | S82 | S82-D84 PolarHBondContact O-N 3.44Š|
| 85 | R | 60.3 | Low | 60.2 | Low | 111 Ų | 111 | 88.4 Ų | 88.4 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -93.4 | -7.8 | 174.9 | -62.3 | -173.4 | -173.8 | -142.4 | -2.6 | 113.3 | V81 S82 R83 C87 G117 | V81-R85 HydrophobicContact CG1-CB 3.77Å; S82-R85 WeakPolarHBondContact O-CB 3.5Å; S82-R85 PolarHBondContact O-N 3.39Å; R83-R85 PolarHBondContact O-N 3.34Å; R83-R85 VanDerWaalsContact O-N 3.16Å; R85-C87 PolarHBondContact O-N 3.28Å; R85-G117 WeakPolarHBondContact CD-O 3.3Å; R85-G117 PolarHBondContact NH1-O 3.5Å |
| 86 | L | 61.4 | Low | 59.7 | Low | 20 Ų | 20 | 85.3 Ų | 85.3 | 11% | 0.105 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -73 | 106 | 164.1 | -47.9 | 169.2 | 0 | 0 | 0 | 105.3 | R83 T88 L106 V120 F122 | R83-L86 HydrophobicContact CG-CD1 4.07Å; R83-L86 WeakPolarHBondContact O-CB 3.35Å; R83-L86 WeakPolarHBondContact O-CG 3.45Å; R83-L86 PolarHBondContact O-N 2.89Å; L86-T88 PolarHBondContact O-N 2.87Å; L86-T88 VanDerWaalsContact O-N 3.16Å; L86-L106 HydrophobicContact CD1-CD1 3.34Å; L86-L106 HydrophobicContact CD1-CG 4.21Å; L86-V120 HydrophobicContact CB-CG2 4.22Å; L86-V120 HydrophobicContact CD2-CB 4.35Å; L86-V120 HydrophobicContact CD2-CG1 4.17Å; L86-V120 HydrophobicContact CD2-CG2 3.42Å; L86-V120 VanDerWaalsContact CD2-CG2 3.42Å; L86-V120 HydrophobicContact CG-CG2 4.33Å; L86-F122 HydrophobicContact CD2-CE2 4.14Å |
| 87 | C | 53.6 | Low | 59 | Low | 76 Ų | 76 | 85.3 Ų | 85.3 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | trans | -45.4 | 131.2 | 170 | -69.1 | 0 | 0 | 0 | 0 | 107.8 | R85 L89 | R85-C87 PolarHBondContact O-N 3.28Å; C87-L89 PolarHBondContact O-N 3.01Å | ||
| 88 | T | 44.3 | Very low | 57.8 | Low | 143 Ų | 143 | 87.8 Ų | 87.8 | 88% | 0.877 | 50% | 0.498 | S | S | * | . | trans | -64.7 | 61.4 | -176.2 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | L86 S90 | L86-T88 PolarHBondContact O-N 2.87Å; L86-T88 VanDerWaalsContact O-N 3.16Å; T88-S90 VanDerWaalsContact C-N 3.35Å; T88-S90 PolarHBondContact O-N 3.2Å | ||
| 89 | L | 46.8 | Very low | 56.7 | Low | 76 Ų | 76 | 91.1 Ų | 91.1 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | trans | -66.1 | 105.7 | 162 | -68 | 173 | 0 | 0 | 0 | 104.5 | C87 S91 F122 | C87-L89 PolarHBondContact O-N 3.01Å; L89-S91 PolarHBondContact O-N 3.48Å; L89-F122 HydrophobicContact CD1-CB 4.12Å | ||
| 90 | S | 42.4 | Very low | 55.8 | Low | 87 Ų | 87 | 91 Ų | 91 | 61% | 0.608 | 51% | 0.508 | S | S | * | . | trans | -21.6 | 125.8 | 167.6 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | T88 S92 | T88-S90 VanDerWaalsContact C-N 3.35Å; T88-S90 PolarHBondContact O-N 3.2Å; S90-S92 PolarHBondContact O-N 2.85Å | ||
| 91 | S | 48.7 | Very low | 54.9 | Low | 108 Ų | 108 | 90.2 Ų | 90.2 | 76% | 0.755 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 2.9 | -161.8 | 60.9 | 0 | 0 | 0 | 0 | 117.8 | L89 | L89-S91 PolarHBondContact O-N 3.48Š|
| 92 | S | 46.4 | Very low | 54.4 | Low | 98 Ų | 98 | 96.6 Ų | 96.6 | 69% | 0.685 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -20.8 | -173.5 | -40.1 | 0 | 0 | 0 | 0 | 114.5 | S90 | S90-S92 PolarHBondContact O-N 2.85Š|
| 93 | F | 51 | Low | 54.2 | Low | 164 Ų | 164 | 95.5 Ų | 95.5 | 72% | 0.719 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -97.1 | -21.8 | -177.4 | -67.3 | -72.3 | 0 | 0 | 0 | 114.1 | C95 | F93-C95 PolarHBondContact O-N 2.75Š|
| 94 | L | 50.4 | Low | 54.4 | Low | 52 Ų | 52 | 96.1 Ų | 96.1 | 27% | 0.272 | 55% | 0.546 | S | S | . | . | trans | -95.1 | 90.4 | 177.1 | -61.1 | -179 | 0 | 0 | 0 | 108.2 | L96 F122 | L94-L96 HydrophobicContact CB-CD1 4.21Å; L94-L96 HydrophobicContact CB-CG 4.04Å; L94-L96 HydrophobicContact CD1-CD1 4.36Å; L94-L96 PolarHBondContact O-N 2.95Å; L94-F122 HydrophobicContact CD2-CD1 3.77Å; L94-F122 HydrophobicContact CD2-CE1 3.98Å | ||
| 95 | C | 54.9 | Low | 54.8 | Low | 129 Ų | 129 | 92.3 Ų | 92.3 | 87% | 0.872 | 53% | 0.527 | S | S | * | . | trans | -68.5 | 73.5 | 157.9 | -169.4 | 0 | 0 | 0 | 0 | 107.5 | F93 | F93-C95 PolarHBondContact O-N 2.75Š| ||
| 96 | L | 49.4 | Very low | 55.4 | Low | 39 Ų | 39 | 87.4 Ų | 87.4 | 20% | 0.204 | 51% | 0.51 | C | S | . | . | trans | -68.3 | 132.3 | 167.6 | -73.7 | 162.9 | 0 | 0 | 0 | 106.6 | L94 M98 L106 | L94-L96 HydrophobicContact CB-CD1 4.21Å; L94-L96 HydrophobicContact CB-CG 4.04Å; L94-L96 HydrophobicContact CD1-CD1 4.36Å; L94-L96 PolarHBondContact O-N 2.95Å; L96-M98 PolarHBondContact O-N 3.42Å; L96-L106 HydrophobicContact CD1-CD1 4.03Å; L96-L106 HydrophobicContact CD2-CD1 3.54Å; L96-L106 HydrophobicContact CG-CD1 4.46Å | ||
| 97 | P | 52.5 | Low | 56 | Low | 75 Ų | 75 | 91 Ų | 91 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | trans | -52.4 | 132.4 | 171.1 | -19.5 | 28.9 | 0 | 0 | 0 | 108.7 | H99 L100 | P97-H99 PolarHBondContact O-N 3.03Å; P97-L100 HydrophobicContact CB-CD1 4.25Å; P97-L100 HydrophobicContact CG-CD1 4.09Å; P97-L100 PolarHBondContact O-N 3.41Å | ||
| 98 | M | 50.4 | Low | 57 | Low | 161 Ų | 161 | 87.7 Ų | 87.7 | 79% | 0.793 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -54 | -23.3 | -168 | -66.9 | -147.9 | 73.7 | 0 | 0 | 115 | L96 L100 | L96-M98 PolarHBondContact O-N 3.42Å; M98-L100 VanDerWaalsContact C-N 3.28Å; M98-L100 PolarHBondContact O-N 2.77Å |
| 99 | H | 54.5 | Low | 58.4 | Low | 145 Ų | 145 | 83.2 Ų | 83.2 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -73.4 | -9.1 | 178.6 | 86.7 | -84.3 | 0 | 0 | 0 | 115.2 | P97 | P97-H99 PolarHBondContact O-N 3.03Š|
| 100 | L | 56.6 | Low | 59.6 | Low | 44 Ų | 44 | 80.8 Ų | 80.8 | 23% | 0.23 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -105.6 | 6.7 | -179.1 | -75.1 | 139.6 | 0 | 0 | 0 | 113.5 | R83 P97 M98 N102 A103 L106 | R83-L100 PolarHBondContact NH1-O 3.09Å; R83-L100 VanDerWaalsContact NH1-O 3.12Å; P97-L100 HydrophobicContact CB-CD1 4.25Å; P97-L100 HydrophobicContact CG-CD1 4.09Å; P97-L100 PolarHBondContact O-N 3.41Å; M98-L100 VanDerWaalsContact C-N 3.28Å; M98-L100 PolarHBondContact O-N 2.77Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.16Å; L100-A103 HydrophobicContact CD2-CB 4.07Å; L100-A103 PolarHBondContact O-N 3.13Å; L100-L106 HydrophobicContact CB-CD2 3.86Å; L100-L106 HydrophobicContact CD2-CD2 3.67Å; L100-L106 HydrophobicContact CG-CD2 4.32Å |
| 101 | N | 58.3 | Low | 61.1 | Low | 76 Ų | 76 | 84.6 Ų | 84.6 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -27.8 | -176.4 | -80.2 | -20.7 | 0 | 0 | 0 | 113.6 | R83 | R83-N101 VanDerWaalsContact CZ-O 3.29Å; R83-N101 PolarHBondContact NH1-O 3Å |
| 102 | N | 60 | Low | 62 | Low | 143 Ų | 143 | 79.5 Ų | 79.5 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -0.5 | 176.4 | 66.8 | -15.3 | 0 | 0 | 0 | 113.7 | L100 S104 | L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.16Å; N102-S104 PolarHBondContact O-N 2.84Å |
| 103 | A | 65.4 | Low | 63 | Low | 23 Ų | 23 | 76.2 Ų | 76.2 | 19% | 0.19 | 42% | 0.417 | C | S | . | . | trans | -73.6 | 123.8 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | R83 L100 V105 L106 | R83-A103 VanDerWaalsContact CD-O 3.31Å; R83-A103 WeakPolarHBondContact CD-O 3.47Å; L100-A103 HydrophobicContact CD2-CB 4.07Å; L100-A103 PolarHBondContact O-N 3.13Å; A103-V105 PolarHBondContact O-N 3.2Å; A103-L106 HydrophobicContact CB-CD2 4.23Å | ||
| 104 | S | 70.8 | Confident | 63.5 | Low | 93 Ų | 93 | 70.1 Ų | 70.1 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -68.4 | -14.1 | 176.2 | -46 | 0 | 0 | 0 | 0 | 113.1 | S82 R83 N102 | S82-S104 CarbonylContact C-O 3.59Å; S82-S104 VanDerWaalsContact CA-O 3.29Å; S82-S104 WeakPolarHBondContact CA-O 3.43Å; R83-S104 PolarHBondContact N-O 3.01Å; N102-S104 PolarHBondContact O-N 2.84Å |
| 105 | V | 73 | Confident | 64.1 | Low | 75 Ų | 75 | 75 Ų | 75 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.1 | 178.7 | -69.6 | 0 | 0 | 0 | 0 | 110.7 | V80 V81 A103 | V80-V105 HydrophobicContact CG1-CB 3.68Å; V80-V105 HydrophobicContact CG1-CG1 4.18Å; V80-V105 HydrophobicContact CG1-CG2 4.12Å; V81-V105 CarbonylContact O-C 3.48Å; V81-V105 WeakPolarHBondContact O-CA 3.19Å; A103-V105 PolarHBondContact O-N 3.2Å |
| 106 | L | 71.8 | Confident | 64.3 | Low | 8 Ų | 8 | 74.5 Ų | 74.5 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.1 | 176.3 | -61.4 | -172.3 | 0 | 0 | 0 | 110.9 | V80 V81 L86 L96 L100 A103 V108 | V80-L106 CarbonylContact C-O 3.32Å; V80-L106 WeakPolarHBondContact CA-O 3.34Å; V81-L106 PolarHBondContact N-O 2.94Å; V81-L106 PolarHBondContact O-N 2.93Å; L86-L106 HydrophobicContact CD1-CD1 3.34Å; L86-L106 HydrophobicContact CD1-CG 4.21Å; L96-L106 HydrophobicContact CD1-CD1 4.03Å; L96-L106 HydrophobicContact CD2-CD1 3.54Å; L96-L106 HydrophobicContact CG-CD1 4.46Å; L100-L106 HydrophobicContact CB-CD2 3.86Å; L100-L106 HydrophobicContact CD2-CD2 3.67Å; L100-L106 HydrophobicContact CG-CD2 4.32Å; A103-L106 HydrophobicContact CB-CD2 4.23Å; L106-V108 HydrophobicContact CB-CG1 4.44Å |
| 107 | T | 75.2 | Confident | 64.6 | Low | 95 Ų | 95 | 74.2 Ų | 74.2 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 114.6 | 169.4 | -60.6 | 0 | 0 | 0 | 0 | 108.5 | N78 | N78-T107 HydrophobicContact CB-CG2 3.47Å; N78-T107 VanDerWaalsContact CB-CG2 3.47Å |
| 108 | V | 74.7 | Confident | 64.6 | Low | 8 Ų | 8 | 77.8 Ų | 77.8 | 5% | 0.048 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151.7 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 109.9 | N78 V79 V81 L106 A110 A112 V120 F122 | N78-V108 CarbonylContact C-O 3.45Å; N78-V108 WeakPolarHBondContact CA-O 3.41Å; N78-V108 WeakPolarHBondContact CB-O 3.45Å; V79-V108 PolarHBondContact N-O 2.93Å; V79-V108 PolarHBondContact O-N 3.19Å; V81-V108 HydrophobicContact CG2-CG2 3.95Å; L106-V108 HydrophobicContact CB-CG1 4.44Å; V108-A110 PolarHBondContact O-N 3.09Å; V108-A112 HydrophobicContact CB-CB 4.38Å; V108-A112 HydrophobicContact CG2-CB 4.4Å; V108-V120 HydrophobicContact CG2-CG1 4.06Å; V108-F122 HydrophobicContact CB-CE2 4.31Å; V108-F122 HydrophobicContact CB-CZ 4.11Å; V108-F122 HydrophobicContact CG1-CE2 3.88Å; V108-F122 HydrophobicContact CG1-CZ 3.69Å |
| 109 | P | 73.3 | Confident | 64.8 | Low | 48 Ų | 48 | 73.1 Ų | 73.1 | 31% | 0.312 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 139.5 | 171.9 | -24.3 | 33.8 | 0 | 0 | 0 | 110.7 | N78 W111 A112 | N78-P109 WeakPolarHBondContact OD1-CA 3.4Å; P109-W111 VanDerWaalsContact CB-CD1 3.4Å; P109-W111 HydrophobicContact CB-CD2 4.42Å; P109-W111 HydrophobicContact CB-CG 4.19Å; P109-W111 HydrophobicContact CB-CZ2 4.46Å; P109-W111 HydrophobicContact CG-CZ2 4.44Å; P109-W111 PolarHBondContact O-N 2.79Å; P109-W111 VanDerWaalsContact O-N 3.1Å; P109-A112 WeakPolarHBondContact O-CA 3.25Å; P109-A112 VanDerWaalsContact O-CB 3.29Å; P109-A112 WeakPolarHBondContact O-CB 3.42Å; P109-A112 PolarHBondContact O-N 2.73Å |
| 110 | A | 72.4 | Confident | 65.1 | Low | 26 Ų | 26 | 66.4 Ų | 66.4 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -57.7 | -31.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | P76 P77 V79 V108 A112 S113 | P76-A110 VanDerWaalsContact O-CB 3.27Å; P76-A110 WeakPolarHBondContact O-CB 3.49Å; P77-A110 PolarHBondContact O-N 3.28Å; V79-A110 HydrophobicContact CG2-CB 4.03Å; V108-A110 PolarHBondContact O-N 3.09Å; A110-A112 PolarHBondContact O-N 3.1Å; A110-S113 PolarHBondContact O-N 3.47Å |
| 111 | W | 73.5 | Confident | 65.4 | Low | 166 Ų | 166 | 65.3 Ų | 65.3 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -64.8 | -18.1 | 175.4 | 67.3 | -99.2 | 0 | 0 | 0 | 113.9 | P109 L125 | P109-W111 VanDerWaalsContact CB-CD1 3.4Å; P109-W111 HydrophobicContact CB-CD2 4.42Å; P109-W111 HydrophobicContact CB-CG 4.19Å; P109-W111 HydrophobicContact CB-CZ2 4.46Å; P109-W111 HydrophobicContact CG-CZ2 4.44Å; P109-W111 PolarHBondContact O-N 2.79Å; P109-W111 VanDerWaalsContact O-N 3.1Å; W111-L125 HydrophobicContact CH2-CD2 3.74Å; W111-L125 HydrophobicContact CH2-CG 4.35Å; W111-L125 HydrophobicContact CZ3-CD2 4.26Å |
| 112 | A | 68.4 | Low | 65.3 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -85.8 | -11.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | V108 P109 A110 V120 A121 F122 | V108-A112 HydrophobicContact CB-CB 4.38Å; V108-A112 HydrophobicContact CG2-CB 4.4Å; P109-A112 WeakPolarHBondContact O-CA 3.25Å; P109-A112 VanDerWaalsContact O-CB 3.29Å; P109-A112 WeakPolarHBondContact O-CB 3.42Å; P109-A112 PolarHBondContact O-N 2.73Å; A110-A112 PolarHBondContact O-N 3.1Å; A112-V120 CarbonylContact O-C 3.53Å; A112-V120 VanDerWaalsContact O-C 3.32Å; A112-V120 WeakPolarHBondContact O-CA 3.1Å; A112-V120 VanDerWaalsContact O-CB 3.27Å; A112-V120 WeakPolarHBondContact O-CB 3.48Å; A112-A121 PolarHBondContact O-N 2.88Å; A112-F122 HydrophobicContact CB-CE2 4.03Å; A112-F122 HydrophobicContact CB-CZ 4.06Å |
| 113 | S | 66.3 | Low | 65 | Low | 29 Ų | 29 | 61.2 Ų | 61.2 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -95.5 | 131.7 | 176.1 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | A110 | A110-S113 PolarHBondContact O-N 3.47Å |
| 114 | T | 61.9 | Low | 64.3 | Low | 37 Ų | 37 | 67.6 Ų | 67.6 | 23% | 0.227 | 38% | 0.377 | C | S | . | . | trans | -76.9 | 150.4 | 167.2 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | D116 G117 T119 | T114-D116 HydrophobicContact CG2-CB 4.34Å; T114-D116 PolarHBondContact O-N 2.87Å; T114-G117 PolarHBondContact O-N 2.98Å; T114-G117 VanDerWaalsContact O-N 3.09Å; T114-T119 WeakPolarHBondContact CB-O 3.36Å; T114-T119 PolarHBondContact N-O 2.92Å; T114-T119 VanDerWaalsContact N-O 3.13Å | ||
| 115 | D | 62.4 | Low | 63.4 | Low | 155 Ų | 155 | 66.7 Ų | 66.7 | 83% | 0.829 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.3 | -178.6 | 57.2 | -60.5 | 0 | 0 | 0 | 114 | G117 | D115-G117 PolarHBondContact O-N 3.42Å; D115-G117 VanDerWaalsContact O-N 3.1Å |
| 116 | D | 59.8 | Low | 62.5 | Low | 117 Ų | 117 | 64.9 Ų | 64.9 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.9 | 173.1 | -67.9 | -44.7 | 0 | 0 | 0 | 113.9 | T114 K118 | T114-D116 HydrophobicContact CG2-CB 4.34Å; T114-D116 PolarHBondContact O-N 2.87Å; D116-K118 PolarHBondContact O-N 3.45Å |
| 117 | G | 55.6 | Low | 61.7 | Low | 34 Ų | 34 | 68.5 Ų | 68.5 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 61.3 | -3.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | R85 T114 D115 | R85-G117 WeakPolarHBondContact CD-O 3.3Å; R85-G117 PolarHBondContact NH1-O 3.5Å; T114-G117 PolarHBondContact O-N 2.98Å; T114-G117 VanDerWaalsContact O-N 3.09Å; D115-G117 PolarHBondContact O-N 3.42Å; D115-G117 VanDerWaalsContact O-N 3.1Å |
| 118 | K | 52.1 | Low | 61 | Low | 150 Ų | 150 | 72.1 Ų | 72.1 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -92.1 | -23.5 | -174.6 | -79.9 | 171.6 | -177.8 | 169.3 | 0 | 113.5 | D116 | D116-K118 PolarHBondContact O-N 3.45Š|
| 119 | T | 55.2 | Low | 60 | Low | 62 Ų | 62 | 79.7 Ų | 79.7 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | trans | -141 | 143.8 | -177.8 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | T114 | T114-T119 WeakPolarHBondContact CB-O 3.36Å; T114-T119 PolarHBondContact N-O 2.92Å; T114-T119 VanDerWaalsContact N-O 3.13Å | ||
| 120 | V | 60.8 | Low | 58.8 | Low | 5 Ų | 5 | 83.8 Ų | 83.8 | 3% | 0.03 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -94.6 | 132.2 | 166.9 | -75.3 | 0 | 0 | 0 | 0 | 109.6 | V81 L86 V108 A112 F122 | V81-V120 HydrophobicContact CB-CG1 4.19Å; V81-V120 HydrophobicContact CG1-CG1 3.93Å; V81-V120 HydrophobicContact CG2-CG1 3.91Å; L86-V120 HydrophobicContact CB-CG2 4.22Å; L86-V120 HydrophobicContact CD2-CB 4.35Å; L86-V120 HydrophobicContact CD2-CG1 4.17Å; L86-V120 HydrophobicContact CD2-CG2 3.42Å; L86-V120 VanDerWaalsContact CD2-CG2 3.42Å; L86-V120 HydrophobicContact CG-CG2 4.33Å; V108-V120 HydrophobicContact CG2-CG1 4.06Å; A112-V120 CarbonylContact O-C 3.53Å; A112-V120 VanDerWaalsContact O-C 3.32Å; A112-V120 WeakPolarHBondContact O-CA 3.1Å; A112-V120 VanDerWaalsContact O-CB 3.27Å; A112-V120 WeakPolarHBondContact O-CB 3.48Å; V120-F122 HydrophobicContact CB-CD2 3.48Å; V120-F122 VanDerWaalsContact CB-CD2 3.48Å; V120-F122 HydrophobicContact CB-CE2 3.67Å; V120-F122 HydrophobicContact CG1-CD2 4.39Å; V120-F122 HydrophobicContact CG1-CE2 4.09Å; V120-F122 HydrophobicContact CG2-CD2 3.41Å; V120-F122 VanDerWaalsContact CG2-CD2 3.41Å; V120-F122 HydrophobicContact CG2-CE2 3.8Å; V120-F122 PolarHBondContact O-N 3.49Å |
| 121 | A | 62 | Low | 57.8 | Low | 21 Ų | 21 | 90.6 Ų | 90.6 | 17% | 0.174 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -78.5 | 35.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A112 S123 K124 | A112-A121 PolarHBondContact O-N 2.88Å; A121-S123 PolarHBondContact O-N 3.4Å; A121-K124 HydrophobicContact CB-CD 4.41Å; A121-K124 PolarHBondContact O-N 3.44Å |
| 122 | F | 56.3 | Low | 56.8 | Low | 40 Ų | 40 | 88.6 Ų | 88.6 | 18% | 0.175 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -60.5 | -25.3 | 176.6 | -79.8 | -93.4 | 0 | 0 | 0 | 112.4 | L86 L89 L94 V108 A112 V120 K124 L125 | L86-F122 HydrophobicContact CD2-CE2 4.14Å; L89-F122 HydrophobicContact CD1-CB 4.12Å; L94-F122 HydrophobicContact CD2-CD1 3.77Å; L94-F122 HydrophobicContact CD2-CE1 3.98Å; V108-F122 HydrophobicContact CB-CE2 4.31Å; V108-F122 HydrophobicContact CB-CZ 4.11Å; V108-F122 HydrophobicContact CG1-CE2 3.88Å; V108-F122 HydrophobicContact CG1-CZ 3.69Å; A112-F122 HydrophobicContact CB-CE2 4.03Å; A112-F122 HydrophobicContact CB-CZ 4.06Å; V120-F122 HydrophobicContact CB-CD2 3.48Å; V120-F122 VanDerWaalsContact CB-CD2 3.48Å; V120-F122 HydrophobicContact CB-CE2 3.67Å; V120-F122 HydrophobicContact CG1-CD2 4.39Å; V120-F122 HydrophobicContact CG1-CE2 4.09Å; V120-F122 HydrophobicContact CG2-CD2 3.41Å; V120-F122 VanDerWaalsContact CG2-CD2 3.41Å; V120-F122 HydrophobicContact CG2-CE2 3.8Å; V120-F122 PolarHBondContact O-N 3.49Å; F122-K124 PolarHBondContact O-N 2.91Å; F122-K124 VanDerWaalsContact O-N 3.11Å; F122-L125 HydrophobicContact CB-CD1 4.14Å; F122-L125 HydrophobicContact CD1-CD1 3.29Å; F122-L125 HydrophobicContact CE1-CD1 4.04Å; F122-L125 HydrophobicContact CG-CD1 4.07Å; F122-L125 WeakPolarHBondContact O-CB 3.29Å; F122-L125 PolarHBondContact O-N 2.99Å |
| 123 | S | 54.6 | Low | 55.9 | Low | 92 Ų | 92 | 97 Ų | 97 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -63.2 | -13.2 | 173.4 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | A121 | A121-S123 PolarHBondContact O-N 3.4Š|
| 124 | K | 51.1 | Low | 55.5 | Low | 158 Ų | 158 | 99.2 Ų | 99.2 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -98.5 | 10.7 | 174.5 | -59.6 | -175.6 | -177.2 | 178.1 | 0 | 113.4 | A121 F122 P126 | A121-K124 HydrophobicContact CB-CD 4.41Å; A121-K124 PolarHBondContact O-N 3.44Å; F122-K124 PolarHBondContact O-N 2.91Å; F122-K124 VanDerWaalsContact O-N 3.11Å; K124-P126 WeakPolarHBondContact O-CD 3.49Å |
| 125 | L | 52.2 | Low | 55.5 | Low | 74 Ų | 74 | 102.6 Ų | 102.6 | 39% | 0.387 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -72 | 121.6 | 168.5 | -86.5 | 153.7 | 0 | 0 | 0 | 108.9 | W111 F122 T127 | W111-L125 HydrophobicContact CH2-CD2 3.74Å; W111-L125 HydrophobicContact CH2-CG 4.35Å; W111-L125 HydrophobicContact CZ3-CD2 4.26Å; F122-L125 HydrophobicContact CB-CD1 4.14Å; F122-L125 HydrophobicContact CD1-CD1 3.29Å; F122-L125 HydrophobicContact CE1-CD1 4.04Å; F122-L125 HydrophobicContact CG-CD1 4.07Å; F122-L125 WeakPolarHBondContact O-CB 3.29Å; F122-L125 PolarHBondContact O-N 2.99Å; L125-T127 PolarHBondContact O-N 2.99Å |
| 126 | P | 52.3 | Low | 55.6 | Low | 37 Ų | 37 | 100.3 Ų | 100.3 | 24% | 0.24 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 125 | 177.9 | 24.6 | -32.4 | 0 | 0 | 0 | 108.7 | K124 E130 R132 | K124-P126 WeakPolarHBondContact O-CD 3.49Å; P126-E130 HydrophobicContact CB-CB 3.64Å; P126-E130 HydrophobicContact CB-CG 4.23Å; P126-E130 WeakPolarHBondContact CB-O 3.41Å; P126-R132 HydrophobicContact CG-CG 3.86Å |
| 127 | T | 54.7 | Low | 55.3 | Low | 83 Ų | 83 | 102.9 Ų | 102.9 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 161.7 | 163.2 | 59.4 | 0 | 0 | 0 | 0 | 108.8 | L125 M129 E130 | L125-T127 PolarHBondContact O-N 2.99Å; T127-M129 PolarHBondContact O-N 3.44Å; T127-E130 PolarHBondContact O-N 2.94Å |
| 128 | I | 62.3 | Low | 55.5 | Low | 172 Ų | 172 | 103.4 Ų | 103.4 | 88% | 0.882 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -20.8 | -178.3 | -166.4 | 166.8 | 0 | 0 | 0 | 115 | ||
| 129 | M | 52.3 | Low | 55.9 | Low | 167 Ų | 167 | 101 Ų | 101 | 82% | 0.823 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -24.5 | 177.8 | -62.6 | -151 | 158.3 | 0 | 0 | 114.9 | T127 R131 | T127-M129 PolarHBondContact O-N 3.44Å; M129-R131 PolarHBondContact O-N 3.31Å |
| 130 | E | 49.4 | Very low | 56.4 | Low | 133 Ų | 133 | 107.9 Ų | 107.9 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | trans | -96.2 | 80.5 | -170.2 | -160.8 | 168.8 | -147.7 | 0 | 0 | 110.7 | P126 T127 R132 | P126-E130 HydrophobicContact CB-CB 3.64Å; P126-E130 HydrophobicContact CB-CG 4.23Å; P126-E130 WeakPolarHBondContact CB-O 3.41Å; T127-E130 PolarHBondContact O-N 2.94Å; E130-R132 PolarHBondContact O-N 3.38Å | ||
| 131 | R | 51.8 | Low | 56.6 | Low | 170 Ų | 170 | 111.1 Ų | 111.1 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | trans | -61 | 105.4 | 177.6 | -73.2 | -177.7 | -97.9 | 162.6 | -5.3 | 110.4 | M129 L133 Q138 | M129-R131 PolarHBondContact O-N 3.31Å; R131-L133 PolarHBondContact O-N 3.09Å; R131-Q138 HydrophobicContact CB-CG 4.36Å | ||
| 132 | R | 51.1 | Low | 56.8 | Low | 123 Ų | 123 | 113.6 Ų | 113.6 | 46% | 0.464 | 60% | 0.601 | S | S | . | * | trans | -39.8 | 82.9 | 175 | -73.7 | -75.3 | -163.3 | -162.8 | -2.5 | 116.3 | P126 E130 G134 H135 Q138 | P126-R132 HydrophobicContact CG-CG 3.86Å; E130-R132 PolarHBondContact O-N 3.38Å; R132-G134 PolarHBondContact O-N 3.39Å; R132-H135 PolarHBondContact O-N 3.47Å; R132-Q138 VanDerWaalsContact N-NE2 3.12Å; R132-Q138 PolarHBondContact O-NE2 3Å; R132-Q138 PolarHBondContact O-OE1 3.34Å | ||
| 133 | L | 50.6 | Low | 57.4 | Low | 178 Ų | 178 | 116 Ų | 116 | 93% | 0.932 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.8 | 109.5 | 177.8 | -73.5 | 161.3 | 0 | 0 | 0 | 112.3 | R131 Q138 | R131-L133 PolarHBondContact O-N 3.09Å; L133-Q138 VanDerWaalsContact C-OE1 3.3Å; L133-Q138 VanDerWaalsContact N-OE1 3.09Å |
| 134 | G | 56.6 | Low | 58.4 | Low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.6 | -5.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | R132 | R132-G134 PolarHBondContact O-N 3.39Š|
| 135 | H | 61.6 | Low | 59.8 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 51% | 0.505 | 63% | 0.634 | S | S | . | * | trans | -67.9 | 140.7 | 170.1 | -117.7 | -82.8 | 0 | 0 | 0 | 110.1 | R132 F137 Q138 | R132-H135 PolarHBondContact O-N 3.47Å; H135-F137 PolarHBondContact O-N 3.41Å; H135-Q138 HydrophobicContact CB-CG 4.29Å; H135-Q138 WeakPolarHBondContact O-CB 3.33Å; H135-Q138 PolarHBondContact O-N 3.39Å | ||
| 136 | P | 64.4 | Low | 61.4 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 69% | 0.688 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -16.2 | 178.3 | 19.1 | -32.6 | 0 | 0 | 0 | 114.3 | ||
| 137 | F | 55.3 | Low | 63 | Low | 171 Ų | 171 | 133.1 Ų | 133.1 | 75% | 0.75 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -9.1 | 176 | -67 | -79 | 0 | 0 | 0 | 115.2 | H135 | H135-F137 PolarHBondContact O-N 3.41Š|
| 138 | Q | 59.3 | Low | 64.8 | Low | 46 Ų | 46 | 134.8 Ų | 134.8 | 22% | 0.215 | 69% | 0.691 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | -28.3 | -175.2 | -72.6 | 168.9 | 12.7 | 0 | 0 | 114.7 | R131 R132 L133 H135 R140 A141 | R131-Q138 HydrophobicContact CB-CG 4.36Å; R132-Q138 VanDerWaalsContact N-NE2 3.12Å; R132-Q138 PolarHBondContact O-NE2 3Å; R132-Q138 PolarHBondContact O-OE1 3.34Å; L133-Q138 VanDerWaalsContact C-OE1 3.3Å; L133-Q138 VanDerWaalsContact N-OE1 3.09Å; H135-Q138 HydrophobicContact CB-CG 4.29Å; H135-Q138 WeakPolarHBondContact O-CB 3.33Å; H135-Q138 PolarHBondContact O-N 3.39Å; Q138-R140 CarbonylContact O-C 3.52Å; Q138-R140 PolarHBondContact O-N 2.93Å; Q138-R140 VanDerWaalsContact O-N 3.07Å; Q138-A141 PolarHBondContact O-N 3.22Å |
| 139 | A | 61 | Low | 66.2 | Low | 99 Ų | 99 | 138.5 Ų | 138.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -59.9 | -19.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A141 | A139-A141 VanDerWaalsContact C-N 3.32Å; A139-A141 PolarHBondContact O-N 3.45Å |
| 140 | R | 64.4 | Low | 68.1 | Low | 206 Ų | 206 | 135.4 Ų | 135.4 | 78% | 0.777 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -87 | 76.6 | 165.3 | -53.7 | -139.8 | -171.2 | -156.3 | 3.6 | 109 | Q138 P142 | Q138-R140 CarbonylContact O-C 3.52Å; Q138-R140 PolarHBondContact O-N 2.93Å; Q138-R140 VanDerWaalsContact O-N 3.07Å; R140-P142 VanDerWaalsContact O-N 3.09Å |
| 141 | A | 65.9 | Low | 70.2 | Confident | 74 Ų | 74 | 134.6 Ų | 134.6 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | trans | -44.6 | 123.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q138 A139 P143 | Q138-A141 PolarHBondContact O-N 3.22Å; A139-A141 VanDerWaalsContact C-N 3.32Å; A139-A141 PolarHBondContact O-N 3.45Å; A141-P143 VanDerWaalsContact O-CD 3.25Å; A141-P143 WeakPolarHBondContact O-CD 3.27Å | ||
| 142 | P | 65.9 | Low | 72.3 | Confident | 73 Ų | 73 | 129.1 Ų | 129.1 | 47% | 0.474 | 67% | 0.674 | S | S | . | * | trans | -52.5 | 119.1 | -175 | -25 | 31.9 | 0 | 0 | 0 | 108.3 | R140 K144 | R140-P142 VanDerWaalsContact O-N 3.09Å; P142-K144 PolarHBondContact O-N 2.79Å; P142-K144 VanDerWaalsContact O-N 3.1Å | ||
| 143 | P | 69.4 | Low | 74.5 | Confident | 90 Ų | 90 | 126.7 Ų | 126.7 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | trans | -53 | 126 | 178.2 | -27.3 | 34.8 | 0 | 0 | 0 | 108.6 | A141 H145 | A141-P143 VanDerWaalsContact O-CD 3.25Å; A141-P143 WeakPolarHBondContact O-CD 3.27Å; P143-H145 PolarHBondContact O-N 3.24Å | ||
| 144 | K | 75.7 | Confident | 76.8 | Confident | 196 Ų | 196 | 127 Ų | 127 | 85% | 0.852 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -52.8 | -25.3 | -172.8 | -69.4 | -175.3 | 178.2 | -175.4 | 0 | 112.9 | P142 | P142-K144 PolarHBondContact O-N 2.79Å; P142-K144 VanDerWaalsContact O-N 3.1Å |
| 145 | H | 80.6 | Confident | 78.7 | Confident | 164 Ų | 164 | 128.2 Ų | 128.2 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -134.4 | 98.5 | 176.6 | -53.7 | -69.6 | 0 | 0 | 0 | 110.4 | P143 | P143-H145 PolarHBondContact O-N 3.24Š|
| 146 | K | 85 | Confident | 80.4 | Confident | 170 Ų | 170 | 124.7 Ų | 124.7 | 74% | 0.739 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 138.3 | 165.4 | -67.8 | -178.3 | -178.2 | 177 | 0 | 108.1 | ||
| 147 | K | 86.7 | Confident | 82.1 | Confident | 191 Ų | 191 | 122.5 Ų | 122.5 | 83% | 0.83 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.4 | 175.5 | -67.7 | 86.9 | 175.1 | -176.6 | 0 | 108.7 | ||
| 148 | P | 90.8 | Very high | 84.1 | Confident | 118 Ų | 118 | 118.3 Ų | 118.3 | 77% | 0.766 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 145.5 | 171.8 | -26.1 | 34.6 | 0 | 0 | 0 | 111.3 | T150 | P148-T150 PolarHBondContact O-N 3.39Š|
| 149 | R | 91.9 | Very high | 85.9 | Confident | 250 Ų | 250 | 119.4 Ų | 119.4 | 94% | 0.943 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.6 | 175 | -70.2 | 179.5 | 174.1 | 162.5 | -2.5 | 109 | ||
| 150 | T | 92.7 | Very high | 87.7 | Confident | 102 Ų | 102 | 114.7 Ų | 114.7 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 136.4 | 172 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | P148 | P148-T150 PolarHBondContact O-N 3.39Š|
| 151 | S | 94.3 | Very high | 89.3 | Confident | 116 Ų | 116 | 107.1 Ų | 107.1 | 81% | 0.811 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 139.5 | 168.8 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 152 | F | 95.4 | Very high | 90.9 | Very high | 54 Ų | 54 | 109.4 Ų | 109.4 | 24% | 0.237 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 149.5 | 174.2 | -57.2 | -44.2 | 0 | 0 | 0 | 110.3 | Q156 V157 M184 Q188 W192 | F152-Q156 HydrophobicContact CB-CB 4.34Å; F152-V157 HydrophobicContact CB-CG2 3.92Å; F152-M184 HydrophobicContact CD1-CE 3.68Å; F152-M184 HydrophobicContact CD2-CE 4.32Å; F152-M184 HydrophobicContact CE1-CE 3.35Å; F152-M184 HydrophobicContact CE2-CE 4.03Å; F152-M184 HydrophobicContact CG-CE 4.17Å; F152-M184 HydrophobicContact CZ-CE 3.54Å; F152-Q188 HydrophobicContact CZ-CB 4.34Å; F152-W192 AromaticContact CD2-CD1 3.78Å; F152-W192 HydrophobicContact CE2-CB 4.33Å; F152-W192 AromaticContact CE2-CD1 3.66Å; F152-W192 HydrophobicContact CE2-CG 4.35Å |
| 153 | T | 97.7 | Very high | 92.4 | Very high | 72 Ų | 72 | 108.7 Ų | 108.7 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 155.4 | 174.4 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | T155 Q156 V157 | T153-T155 VanDerWaalsContact C-N 3.26Å; T153-T155 PolarHBondContact O-N 2.93Å; T153-T155 PolarHBondContact OG1-OG1 3.12Å; T153-Q156 PolarHBondContact O-N 2.95Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.38Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.39Å; T153-Q156 PolarHBondContact OG1-N 3.2Å; T153-Q156 PolarHBondContact OG1-OE1 2.98Å; T153-V157 WeakPolarHBondContact O-CG2 3.13Å; T153-V157 PolarHBondContact O-N 3.1Å |
| 154 | K | 97.7 | Very high | 93.8 | Very high | 186 Ų | 186 | 104.4 Ų | 104.4 | 81% | 0.809 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.9 | -41.2 | 178.9 | -68.3 | -177.6 | 179.3 | 178.9 | 0 | 111.9 | V157 T158 | K154-V157 PolarHBondContact O-N 2.86Å; K154-T158 WeakPolarHBondContact O-CG2 3.48Å; K154-T158 PolarHBondContact O-N 3.47Å; K154-T158 PolarHBondContact O-OG1 3.45Å |
| 155 | T | 97.5 | Very high | 94.8 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 178.6 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | T153 T158 E159 | T153-T155 VanDerWaalsContact C-N 3.26Å; T153-T155 PolarHBondContact O-N 2.93Å; T153-T155 PolarHBondContact OG1-OG1 3.12Å; T155-T158 WeakPolarHBondContact CA-OG1 3.49Å; T155-T158 PolarHBondContact O-N 3.35Å; T155-T158 PolarHBondContact O-OG1 3.27Å; T155-E159 PolarHBondContact O-N 3.48Å; T155-E159 VanDerWaalsContact O-N 3.17Å |
| 156 | Q | 97.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 98 Ų | 98 | 17% | 0.168 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173 | -75 | 167.1 | -35 | 0 | 0 | 111.2 | F152 T153 T158 E159 L160 L182 M184 | F152-Q156 HydrophobicContact CB-CB 4.34Å; T153-Q156 PolarHBondContact O-N 2.95Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.38Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.39Å; T153-Q156 PolarHBondContact OG1-N 3.2Å; T153-Q156 PolarHBondContact OG1-OE1 2.98Å; Q156-T158 PolarHBondContact O-N 2.84Å; Q156-E159 PolarHBondContact O-N 2.69Å; Q156-L160 WeakPolarHBondContact O-CB 3.37Å; Q156-L160 WeakPolarHBondContact O-CD1 3.41Å; Q156-L160 WeakPolarHBondContact O-CG 3.39Å; Q156-L160 PolarHBondContact O-N 3.12Å; Q156-L182 HydrophobicContact CG-CB 4.44Å; Q156-L182 PolarHBondContact NE2-O 2.73Å; Q156-M184 HydrophobicContact CB-SD 4.32Å; Q156-M184 HydrophobicContact CG-SD 4.25Å |
| 157 | V | 98.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 92.6 Ų | 92.6 | 36% | 0.358 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 179.1 | 177 | 0 | 0 | 0 | 0 | 111.4 | F152 T153 K154 L160 E161 | F152-V157 HydrophobicContact CB-CG2 3.92Å; T153-V157 WeakPolarHBondContact O-CG2 3.13Å; T153-V157 PolarHBondContact O-N 3.1Å; K154-V157 PolarHBondContact O-N 2.86Å; V157-L160 PolarHBondContact O-N 3.43Å; V157-E161 WeakPolarHBondContact O-CB 3.37Å; V157-E161 PolarHBondContact O-N 2.86Å |
| 158 | T | 98.1 | Very high | 96.7 | Very high | 83 Ų | 83 | 86.2 Ų | 86.2 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | K154 T155 Q156 E161 R162 | K154-T158 WeakPolarHBondContact O-CG2 3.48Å; K154-T158 PolarHBondContact O-N 3.47Å; K154-T158 PolarHBondContact O-OG1 3.45Å; T155-T158 WeakPolarHBondContact CA-OG1 3.49Å; T155-T158 PolarHBondContact O-N 3.35Å; T155-T158 PolarHBondContact O-OG1 3.27Å; Q156-T158 PolarHBondContact O-N 2.84Å; T158-E161 PolarHBondContact O-N 2.83Å; T158-R162 WeakPolarHBondContact O-CB 3.17Å; T158-R162 PolarHBondContact O-N 3.23Å |
| 159 | E | 98 | Very high | 97.1 | Very high | 70 Ų | 70 | 87.4 Ų | 87.4 | 33% | 0.327 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 177 | -76.2 | -57.3 | 133.7 | 0 | 0 | 112.6 | T155 Q156 E161 R162 K163 L182 | T155-E159 PolarHBondContact O-N 3.48Å; T155-E159 VanDerWaalsContact O-N 3.17Å; Q156-E159 PolarHBondContact O-N 2.69Å; E159-E161 VanDerWaalsContact C-N 3.33Å; E159-E161 PolarHBondContact O-N 3.45Å; E159-R162 PolarHBondContact O-N 3.4Å; E159-R162 IonicContact OE1-NE 2.92Å; E159-R162 IonicContact OE2-CZ 2.87Å; E159-R162 IonicContact OE2-NE 3.67Å; E159-R162 PolarHBondContact OE2-NE 3.1Å; E159-R162 IonicContact OE2-NH2 2.73Å; E159-R162 PolarHBondContact OE2-NH2 2.91Å; E159-K163 WeakPolarHBondContact O-CB 3.38Å; E159-K163 PolarHBondContact O-N 3.25Å; E159-L182 HydrophobicContact CB-CD1 4.3Å; E159-L182 HydrophobicContact CB-CD2 3.63Å; E159-L182 HydrophobicContact CG-CD2 3.98Å |
| 160 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 174.1 | -73.5 | 166.5 | 0 | 0 | 0 | 111.2 | Q156 V157 K163 F164 L178 L182 M184 V189 W192 F193 | Q156-L160 WeakPolarHBondContact O-CB 3.37Å; Q156-L160 WeakPolarHBondContact O-CD1 3.41Å; Q156-L160 WeakPolarHBondContact O-CG 3.39Å; Q156-L160 PolarHBondContact O-N 3.12Å; V157-L160 PolarHBondContact O-N 3.43Å; L160-K163 PolarHBondContact O-N 2.77Å; L160-F164 VanDerWaalsContact O-CB 3.3Å; L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 2.72Å; L160-L178 HydrophobicContact CD2-CD2 3.91Å; L160-L182 HydrophobicContact CD1-CD1 4.42Å; L160-L182 HydrophobicContact CD2-CD1 3.74Å; L160-L182 HydrophobicContact CG-CD1 3.65Å; L160-M184 HydrophobicContact CD1-CE 4.31Å; L160-M184 HydrophobicContact CD1-SD 4.16Å; L160-V189 HydrophobicContact CD2-CG1 4.29Å; L160-W192 VanDerWaalsContact C-CH2 3.48Å; L160-W192 HydrophobicContact CB-CD2 3.94Å; L160-W192 HydrophobicContact CB-CE3 3.92Å; L160-W192 HydrophobicContact CB-CH2 3.61Å; L160-W192 HydrophobicContact CB-CZ2 3.59Å; L160-W192 HydrophobicContact CB-CZ3 3.77Å; L160-W192 HydrophobicContact CD1-CD2 3.83Å; L160-W192 HydrophobicContact CD1-CE3 4.44Å; L160-W192 HydrophobicContact CD1-CG 3.85Å; L160-W192 HydrophobicContact CD2-CD2 4.29Å; L160-W192 HydrophobicContact CD2-CE3 4.12Å; L160-W192 HydrophobicContact CG-CD2 4.24Å; L160-W192 HydrophobicContact CG-CE3 4.39Å; L160-W192 WeakPolarHBondContact O-CH2 3.27Å; L160-F193 HydrophobicContact CD2-CE2 4.02Å |
| 161 | E | 98.4 | Very high | 97.6 | Very high | 46 Ų | 46 | 74.1 Ų | 74.1 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 178 | -167.1 | 63.7 | -152.2 | 0 | 0 | 111.6 | V157 T158 E159 K163 F164 L165 R196 | V157-E161 WeakPolarHBondContact O-CB 3.37Å; V157-E161 PolarHBondContact O-N 2.86Å; T158-E161 PolarHBondContact O-N 2.83Å; E159-E161 VanDerWaalsContact C-N 3.33Å; E159-E161 PolarHBondContact O-N 3.45Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.1Å; E161-F164 WeakPolarHBondContact O-CB 3.42Å; E161-F164 PolarHBondContact O-N 2.84Å; E161-F164 VanDerWaalsContact O-N 3.1Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.98Å; E161-R196 IonicContact OE1-CZ 3.35Å; E161-R196 IonicContact OE1-NE 3.1Å; E161-R196 PolarHBondContact OE1-NE 3.46Å; E161-R196 VanDerWaalsContact OE1-NE 3.1Å; E161-R196 IonicContact OE1-NH2 3.48Å; E161-R196 PolarHBondContact OE1-NH2 2.93Å; E161-R196 WeakPolarHBondContact OE2-CD 3.12Å; E161-R196 IonicContact OE2-CZ 3.61Å; E161-R196 IonicContact OE2-NE 2.77Å; E161-R196 PolarHBondContact OE2-NE 3.39Å; E161-R196 IonicContact OE2-NH2 3.52Å |
| 162 | R | 98.1 | Very high | 97.7 | Very high | 122 Ų | 122 | 72.7 Ų | 72.7 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.2 | -50.6 | 174.7 | -173 | -173.4 | 67 | 78.4 | -3.7 | 110.6 | T158 E159 F164 L165 D166 | T158-R162 WeakPolarHBondContact O-CB 3.17Å; T158-R162 PolarHBondContact O-N 3.23Å; E159-R162 PolarHBondContact O-N 3.4Å; E159-R162 IonicContact OE1-NE 2.92Å; E159-R162 IonicContact OE2-CZ 2.87Å; E159-R162 IonicContact OE2-NE 3.67Å; E159-R162 PolarHBondContact OE2-NE 3.1Å; E159-R162 IonicContact OE2-NH2 2.73Å; E159-R162 PolarHBondContact OE2-NH2 2.91Å; R162-F164 VanDerWaalsContact C-N 3.31Å; R162-F164 PolarHBondContact O-N 3.47Å; R162-L165 PolarHBondContact O-N 2.89Å; R162-D166 PolarHBondContact O-N 2.73Å |
| 163 | K | 97.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 73.9 Ų | 73.9 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -33.4 | 178.6 | -160.8 | 67.9 | 177.7 | 164.5 | 0 | 112.5 | E159 L160 E161 D166 Q167 L170 L178 | E159-K163 WeakPolarHBondContact O-CB 3.38Å; E159-K163 PolarHBondContact O-N 3.25Å; L160-K163 PolarHBondContact O-N 2.77Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.1Å; K163-D166 PolarHBondContact O-N 3.15Å; K163-Q167 PolarHBondContact O-N 2.93Å; K163-L170 HydrophobicContact CG-CD2 4.18Å; K163-L178 HydrophobicContact CB-CD2 4.26Å; K163-L178 HydrophobicContact CG-CD1 4.49Å; K163-L178 HydrophobicContact CG-CD2 4.09Å |
| 164 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 0% | 0.004 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.4 | -33.7 | 175.8 | -178.2 | -101.8 | 0 | 0 | 0 | 112.9 | L160 E161 R162 D166 Q167 K168 W192 F193 R196 R197 W200 | L160-F164 VanDerWaalsContact O-CB 3.3Å; L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 2.72Å; E161-F164 WeakPolarHBondContact O-CB 3.42Å; E161-F164 PolarHBondContact O-N 2.84Å; E161-F164 VanDerWaalsContact O-N 3.1Å; R162-F164 VanDerWaalsContact C-N 3.31Å; R162-F164 PolarHBondContact O-N 3.47Å; F164-D166 VanDerWaalsContact C-N 3.33Å; F164-Q167 CarbonylContact O-C 3.46Å; F164-Q167 PolarHBondContact O-N 3.31Å; F164-K168 HydrophobicContact CD1-CD 4.06Å; F164-K168 HydrophobicContact CD2-CD 4.18Å; F164-K168 HydrophobicContact CE1-CD 3.59Å; F164-K168 HydrophobicContact CE2-CB 4.15Å; F164-K168 HydrophobicContact CE2-CD 3.74Å; F164-K168 HydrophobicContact CG-CD 4.33Å; F164-K168 HydrophobicContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact O-CD 3.27Å; F164-K168 WeakPolarHBondContact O-CD 3.38Å; F164-K168 VanDerWaalsContact O-CE 3.29Å; F164-K168 WeakPolarHBondContact O-CE 3.28Å; F164-K168 PolarHBondContact O-NZ 3.39Å; F164-W192 HydrophobicContact CB-CH2 4.08Å; F164-W192 HydrophobicContact CB-CZ3 4.01Å; F164-W192 HydrophobicContact CD2-CZ3 4.44Å; F164-W192 HydrophobicContact CG-CZ3 4.39Å; F164-F193 HydrophobicContact CB-CE1 4.15Å; F164-F193 HydrophobicContact CB-CZ 4.4Å; F164-F193 AromaticContact CD2-CD1 3.88Å; F164-F193 HydrophobicContact CD2-CD1 3.88Å; F164-F193 AromaticContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CG-CE1 4.49Å; F164-R196 HydrophobicContact CD1-CG 3.71Å; F164-R196 HydrophobicContact CD2-CB 4.39Å; F164-R196 HydrophobicContact CD2-CG 3.81Å; F164-R196 HydrophobicContact CE1-CG 3.63Å; F164-R196 HydrophobicContact CE2-CB 4.23Å; F164-R196 HydrophobicContact CE2-CG 3.74Å; F164-R196 HydrophobicContact CG-CG 3.8Å; F164-R196 HydrophobicContact CZ-CB 4.46Å; F164-R196 HydrophobicContact CZ-CG 3.65Å; F164-R197 HydrophobicContact CE2-CG 3.89Å; F164-R197 HydrophobicContact CZ-CG 4.38Å; F164-W200 HydrophobicContact CE1-CB 4.45Å; F164-W200 HydrophobicContact CZ-CB 4.17Å; F164-W200 HydrophobicContact CZ-CG 4.38Å |
| 165 | L | 97.4 | Very high | 97.8 | Very high | 113 Ų | 113 | 67 Ų | 67 | 59% | 0.592 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 174.9 | -70.9 | 177.2 | 0 | 0 | 0 | 111.2 | E161 R162 | E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.98Å; R162-L165 PolarHBondContact O-N 2.89Å |
| 166 | D | 97.4 | Very high | 97.8 | Very high | 113 Ų | 113 | 64.3 Ų | 64.3 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.1 | -44.7 | 176.2 | -58.8 | -25.2 | 0 | 0 | 0 | 111.8 | R162 K163 F164 | R162-D166 PolarHBondContact O-N 2.73Å; K163-D166 PolarHBondContact O-N 3.15Å; F164-D166 VanDerWaalsContact C-N 3.33Å |
| 167 | Q | 97.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | trans | -146 | 114.6 | -171.3 | -172.3 | 178.8 | -15.6 | 0 | 0 | 112.3 | K163 F164 Y169 L170 E174 | K163-Q167 PolarHBondContact O-N 2.93Å; F164-Q167 CarbonylContact O-C 3.46Å; F164-Q167 PolarHBondContact O-N 3.31Å; Q167-Y169 VanDerWaalsContact C-N 3.31Å; Q167-Y169 VanDerWaalsContact CG-O 3.31Å; Q167-Y169 WeakPolarHBondContact CG-O 3.44Å; Q167-Y169 PolarHBondContact NE2-O 2.96Å; Q167-Y169 PolarHBondContact O-N 3.39Å; Q167-L170 HydrophobicContact CB-CD2 4.39Å; Q167-L170 HydrophobicContact CG-CD2 4.31Å; Q167-E174 PolarHBondContact NE2-OE2 3.23Å; Q167-E174 PolarHBondContact OE1-OE1 3.14Å | ||
| 168 | K | 97.9 | Very high | 97.8 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -74 | -20 | -177.8 | -51.1 | -63.9 | 165.1 | -160.1 | 0 | 113.7 | F164 R197 | F164-K168 HydrophobicContact CD1-CD 4.06Å; F164-K168 HydrophobicContact CD2-CD 4.18Å; F164-K168 HydrophobicContact CE1-CD 3.59Å; F164-K168 HydrophobicContact CE2-CB 4.15Å; F164-K168 HydrophobicContact CE2-CD 3.74Å; F164-K168 HydrophobicContact CG-CD 4.33Å; F164-K168 HydrophobicContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact O-CD 3.27Å; F164-K168 WeakPolarHBondContact O-CD 3.38Å; F164-K168 VanDerWaalsContact O-CE 3.29Å; F164-K168 WeakPolarHBondContact O-CE 3.28Å; F164-K168 PolarHBondContact O-NZ 3.39Å; K168-R197 WeakPolarHBondContact O-CD 3.47Å |
| 169 | Y | 98.3 | Very high | 97.8 | Very high | 143 Ų | 143 | 59.9 Ų | 59.9 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -132.5 | 105.7 | -175.4 | -66.8 | -103.9 | 0 | 0 | 0 | 109.6 | Q167 | Q167-Y169 VanDerWaalsContact C-N 3.31Å; Q167-Y169 VanDerWaalsContact CG-O 3.31Å; Q167-Y169 WeakPolarHBondContact CG-O 3.44Å; Q167-Y169 PolarHBondContact NE2-O 2.96Å; Q167-Y169 PolarHBondContact O-N 3.39Å |
| 170 | L | 97.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | trans | -81.7 | 133.3 | 177.4 | -63.7 | -177.2 | 0 | 0 | 0 | 112.4 | K163 Q167 E174 R175 L178 V189 F193 | K163-L170 HydrophobicContact CG-CD2 4.18Å; Q167-L170 HydrophobicContact CB-CD2 4.39Å; Q167-L170 HydrophobicContact CG-CD2 4.31Å; L170-E174 HydrophobicContact CD2-CB 4.37Å; L170-R175 HydrophobicContact CB-CB 4.39Å; L170-R175 PolarHBondContact O-NH2 3.17Å; L170-L178 HydrophobicContact CD1-CD2 3.71Å; L170-V189 HydrophobicContact CD1-CG1 4.26Å; L170-F193 HydrophobicContact CD1-CD1 4.31Å; L170-F193 HydrophobicContact CD1-CD2 3.88Å; L170-F193 HydrophobicContact CD1-CE1 3.8Å; L170-F193 HydrophobicContact CD1-CE2 3.32Å; L170-F193 HydrophobicContact CD1-CG 4.37Å; L170-F193 HydrophobicContact CD1-CZ 3.28Å; L170-F193 HydrophobicContact CD2-CE1 4.18Å; L170-F193 HydrophobicContact CD2-CZ 4.17Å; L170-F193 HydrophobicContact CG-CD1 4.04Å; L170-F193 HydrophobicContact CG-CD2 4.47Å; L170-F193 HydrophobicContact CG-CE1 3.56Å; L170-F193 HydrophobicContact CG-CE2 4.06Å; L170-F193 HydrophobicContact CG-CG 4.49Å; L170-F193 HydrophobicContact CG-CZ 3.6Å | ||
| 171 | A | 97.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 68.9 Ų | 68.9 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | trans | -66.5 | 165.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A173 E174 R175 | A171-A173 PolarHBondContact O-N 3.04Å; A171-E174 HydrophobicContact CB-CG 4.32Å; A171-E174 VanDerWaalsContact CB-OE2 3.3Å; A171-E174 WeakPolarHBondContact CB-OE2 3.41Å; A171-E174 PolarHBondContact N-OE2 2.92Å; A171-E174 PolarHBondContact O-N 3.44Å; A171-R175 WeakPolarHBondContact O-CB 3.31Å; A171-R175 PolarHBondContact O-N 2.96Å | ||
| 172 | S | 97.7 | Very high | 97.7 | Very high | 85 Ų | 85 | 67.5 Ų | 67.5 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | -175.7 | -156.1 | 0 | 0 | 0 | 0 | 112.9 | R175 A176 | S172-R175 PolarHBondContact O-N 3.2Å; S172-A176 PolarHBondContact O-N 3.45Å; S172-A176 VanDerWaalsContact O-N 3.09Å |
| 173 | A | 97.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 71.2 Ų | 71.2 | 66% | 0.661 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A171 R175 A176 S177 | A171-A173 PolarHBondContact O-N 3.04Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.91Å; A173-A176 PolarHBondContact O-N 3.49Å; A173-S177 PolarHBondContact O-N 2.97Å |
| 174 | E | 97.5 | Very high | 97.6 | Very high | 67 Ų | 67 | 69.2 Ų | 69.2 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 179 | -59.2 | 173.7 | 127 | 0 | 0 | 111.6 | Q167 L170 A171 S177 L178 | Q167-E174 PolarHBondContact NE2-OE2 3.23Å; Q167-E174 PolarHBondContact OE1-OE1 3.14Å; L170-E174 HydrophobicContact CD2-CB 4.37Å; A171-E174 HydrophobicContact CB-CG 4.32Å; A171-E174 VanDerWaalsContact CB-OE2 3.3Å; A171-E174 WeakPolarHBondContact CB-OE2 3.41Å; A171-E174 PolarHBondContact N-OE2 2.92Å; A171-E174 PolarHBondContact O-N 3.44Å; E174-S177 PolarHBondContact O-N 3.36Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.34Å |
| 175 | R | 98 | Very high | 97.6 | Very high | 45 Ų | 45 | 71.8 Ų | 71.8 | 17% | 0.17 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.5 | -162.5 | -178.4 | -39.4 | 99.7 | 7.8 | 111.3 | L170 A171 S172 A173 L178 A179 D186 V189 | L170-R175 HydrophobicContact CB-CB 4.39Å; L170-R175 PolarHBondContact O-NH2 3.17Å; A171-R175 WeakPolarHBondContact O-CB 3.31Å; A171-R175 PolarHBondContact O-N 2.96Å; S172-R175 PolarHBondContact O-N 3.2Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.91Å; R175-L178 PolarHBondContact O-N 2.82Å; R175-A179 VanDerWaalsContact O-CB 3.25Å; R175-A179 WeakPolarHBondContact O-CB 3.39Å; R175-A179 PolarHBondContact O-N 3.4Å; R175-D186 WeakPolarHBondContact CB-OD1 3.27Å; R175-D186 WeakPolarHBondContact CD-O 3.41Å; R175-D186 WeakPolarHBondContact CD-OD1 3.42Å; R175-D186 WeakPolarHBondContact CG-OD1 3.45Å; R175-D186 IonicContact NH1-OD1 3.35Å; R175-D186 PolarHBondContact NH1-OD1 3.16Å; R175-D186 IonicContact NH1-OD2 3.8Å; R175-V189 HydrophobicContact CG-CB 3.97Å; R175-V189 HydrophobicContact CG-CG1 3.68Å |
| 176 | A | 98.1 | Very high | 97.6 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S172 A173 A179 Q180 | S172-A176 PolarHBondContact O-N 3.45Å; S172-A176 VanDerWaalsContact O-N 3.09Å; A173-A176 PolarHBondContact O-N 3.49Å; A176-A179 WeakPolarHBondContact O-CB 3.22Å; A176-A179 PolarHBondContact O-N 3.43Å; A176-Q180 WeakPolarHBondContact O-CG 3.43Å; A176-Q180 PolarHBondContact O-N 2.87Å |
| 177 | S | 98 | Very high | 97.6 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | A173 E174 Q180 T181 | A173-S177 PolarHBondContact O-N 2.97Å; E174-S177 PolarHBondContact O-N 3.36Å; S177-Q180 PolarHBondContact O-N 3.26Å; S177-T181 PolarHBondContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 3.24Å |
| 178 | L | 97.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 177.1 | -171.4 | 63.5 | 0 | 0 | 0 | 111.8 | L160 K163 L170 E174 R175 T181 L182 V189 F193 | L160-L178 HydrophobicContact CD2-CD2 3.91Å; K163-L178 HydrophobicContact CB-CD2 4.26Å; K163-L178 HydrophobicContact CG-CD1 4.49Å; K163-L178 HydrophobicContact CG-CD2 4.09Å; L170-L178 HydrophobicContact CD1-CD2 3.71Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.34Å; R175-L178 PolarHBondContact O-N 2.82Å; L178-T181 PolarHBondContact O-N 3.07Å; L178-L182 HydrophobicContact CD1-CD1 3.97Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CG-CD1 4.03Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 3.1Å; L178-V189 HydrophobicContact CD2-CG1 4.04Å; L178-F193 HydrophobicContact CD2-CE2 3.87Å; L178-F193 HydrophobicContact CD2-CZ 4.25Å |
| 179 | A | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R175 A176 L182 K183 M184 V189 | R175-A179 VanDerWaalsContact O-CB 3.25Å; R175-A179 WeakPolarHBondContact O-CB 3.39Å; R175-A179 PolarHBondContact O-N 3.4Å; A176-A179 WeakPolarHBondContact O-CB 3.22Å; A176-A179 PolarHBondContact O-N 3.43Å; A179-L182 PolarHBondContact O-N 3.49Å; A179-K183 PolarHBondContact O-N 2.92Å; A179-K183 VanDerWaalsContact O-N 3.07Å; A179-M184 CarbonylContact C-O 3.56Å; A179-M184 WeakPolarHBondContact CB-O 3.44Å; A179-M184 PolarHBondContact O-N 3.28Å; A179-M184 VanDerWaalsContact O-O 3.11Å; A179-V189 HydrophobicContact CB-CG2 3.93Å |
| 180 | Q | 97.7 | Very high | 97.6 | Very high | 157 Ų | 157 | 62.8 Ų | 62.8 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 174.8 | -72.5 | 176.7 | -19 | 0 | 0 | 112 | A176 S177 L182 K183 | A176-Q180 WeakPolarHBondContact O-CG 3.43Å; A176-Q180 PolarHBondContact O-N 2.87Å; S177-Q180 PolarHBondContact O-N 3.26Å; Q180-L182 VanDerWaalsContact C-N 3.32Å; Q180-L182 PolarHBondContact O-N 2.8Å; Q180-K183 PolarHBondContact O-N 3.25Å |
| 181 | T | 97 | Very high | 97.6 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.8 | -39.9 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | S177 L178 | S177-T181 PolarHBondContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 3.24Å; L178-T181 PolarHBondContact O-N 3.07Å |
| 182 | L | 96.9 | Very high | 97.7 | Very high | 18 Ų | 18 | 64.2 Ų | 64.2 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -92.5 | 1.8 | -177.5 | -61.2 | -178.6 | 0 | 0 | 0 | 114.5 | Q156 E159 L160 L178 A179 Q180 M184 | Q156-L182 HydrophobicContact CG-CB 4.44Å; Q156-L182 PolarHBondContact NE2-O 2.73Å; E159-L182 HydrophobicContact CB-CD1 4.3Å; E159-L182 HydrophobicContact CB-CD2 3.63Å; E159-L182 HydrophobicContact CG-CD2 3.98Å; L160-L182 HydrophobicContact CD1-CD1 4.42Å; L160-L182 HydrophobicContact CD2-CD1 3.74Å; L160-L182 HydrophobicContact CG-CD1 3.65Å; L178-L182 HydrophobicContact CD1-CD1 3.97Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CG-CD1 4.03Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 3.1Å; A179-L182 PolarHBondContact O-N 3.49Å; Q180-L182 VanDerWaalsContact C-N 3.32Å; Q180-L182 PolarHBondContact O-N 2.8Å; L182-M184 VanDerWaalsContact C-N 3.25Å; L182-M184 HydrophobicContact CB-CG 3.99Å; L182-M184 HydrophobicContact CB-SD 3.98Å; L182-M184 HydrophobicContact CD1-SD 4.24Å; L182-M184 PolarHBondContact O-N 3.4Å |
| 183 | K | 97.2 | Very high | 97.7 | Very high | 199 Ų | 199 | 60.6 Ų | 60.6 | 87% | 0.865 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.3 | -172.4 | -56.2 | -179.9 | -179.6 | 178.6 | 0 | 112 | A179 Q180 | A179-K183 PolarHBondContact O-N 2.92Å; A179-K183 VanDerWaalsContact O-N 3.07Å; Q180-K183 PolarHBondContact O-N 3.25Å |
| 184 | M | 97.2 | Very high | 97.8 | Very high | 17 Ų | 17 | 61 Ų | 61 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | trans | -116.7 | 162.5 | 178.3 | -66.1 | 179.5 | 64.8 | 0 | 0 | 110.2 | F152 Q156 L160 A179 L182 Q188 V189 | F152-M184 HydrophobicContact CD1-CE 3.68Å; F152-M184 HydrophobicContact CD2-CE 4.32Å; F152-M184 HydrophobicContact CE1-CE 3.35Å; F152-M184 HydrophobicContact CE2-CE 4.03Å; F152-M184 HydrophobicContact CG-CE 4.17Å; F152-M184 HydrophobicContact CZ-CE 3.54Å; Q156-M184 HydrophobicContact CB-SD 4.32Å; Q156-M184 HydrophobicContact CG-SD 4.25Å; L160-M184 HydrophobicContact CD1-CE 4.31Å; L160-M184 HydrophobicContact CD1-SD 4.16Å; A179-M184 CarbonylContact C-O 3.56Å; A179-M184 WeakPolarHBondContact CB-O 3.44Å; A179-M184 PolarHBondContact O-N 3.28Å; A179-M184 VanDerWaalsContact O-O 3.11Å; L182-M184 VanDerWaalsContact C-N 3.25Å; L182-M184 HydrophobicContact CB-CG 3.99Å; L182-M184 HydrophobicContact CB-SD 3.98Å; L182-M184 HydrophobicContact CD1-SD 4.24Å; L182-M184 PolarHBondContact O-N 3.4Å; M184-Q188 HydrophobicContact CE-CB 3.84Å; M184-V189 HydrophobicContact CB-CG2 4.14Å | ||
| 185 | S | 97.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | trans | -80.6 | 150.3 | 170.4 | 64 | 0 | 0 | 0 | 0 | 111.9 | A187 Q188 V189 | S185-A187 PolarHBondContact O-N 3.37Å; S185-Q188 WeakPolarHBondContact O-CB 3.33Å; S185-Q188 PolarHBondContact O-N 3.42Å; S185-Q188 WeakPolarHBondContact OG-CB 3.5Å; S185-Q188 VanDerWaalsContact OG-CD 3.31Å; S185-Q188 WeakPolarHBondContact OG-CG 3.43Å; S185-Q188 PolarHBondContact OG-N 3.06Å; S185-Q188 PolarHBondContact OG-OE1 3.14Å; S185-V189 PolarHBondContact O-N 2.86Å; S185-V189 VanDerWaalsContact O-N 3.09Å | ||
| 186 | D | 97.8 | Very high | 97.8 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 32% | 0.316 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -53.3 | -39.2 | 174.4 | -177.5 | 74.2 | 0 | 0 | 0 | 111.8 | R175 V189 K190 | R175-D186 WeakPolarHBondContact CB-OD1 3.27Å; R175-D186 WeakPolarHBondContact CD-O 3.41Å; R175-D186 WeakPolarHBondContact CD-OD1 3.42Å; R175-D186 WeakPolarHBondContact CG-OD1 3.45Å; R175-D186 IonicContact NH1-OD1 3.35Å; R175-D186 PolarHBondContact NH1-OD1 3.16Å; R175-D186 IonicContact NH1-OD2 3.8Å; D186-V189 PolarHBondContact O-N 2.86Å; D186-K190 VanDerWaalsContact O-CB 3.3Å; D186-K190 WeakPolarHBondContact O-CB 3.3Å; D186-K190 PolarHBondContact O-N 2.93Å |
| 187 | A | 97.2 | Very high | 97.9 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S185 T191 | S185-A187 PolarHBondContact O-N 3.37Å; A187-T191 WeakPolarHBondContact O-CB 3.37Å; A187-T191 PolarHBondContact O-N 3.28Å; A187-T191 PolarHBondContact O-OG1 3.1Å |
| 188 | Q | 97.6 | Very high | 97.9 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.2 | -77.8 | 167.2 | -52 | 0 | 0 | 111.3 | F152 M184 S185 T191 W192 | F152-Q188 HydrophobicContact CZ-CB 4.34Å; M184-Q188 HydrophobicContact CE-CB 3.84Å; S185-Q188 WeakPolarHBondContact O-CB 3.33Å; S185-Q188 PolarHBondContact O-N 3.42Å; S185-Q188 WeakPolarHBondContact OG-CB 3.5Å; S185-Q188 VanDerWaalsContact OG-CD 3.31Å; S185-Q188 WeakPolarHBondContact OG-CG 3.43Å; S185-Q188 PolarHBondContact OG-N 3.06Å; S185-Q188 PolarHBondContact OG-OE1 3.14Å; Q188-T191 PolarHBondContact O-N 3.07Å; Q188-W192 WeakPolarHBondContact O-CB 3.45Å; Q188-W192 PolarHBondContact O-N 3.23Å |
| 189 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | L160 L170 R175 L178 A179 M184 S185 D186 T191 W192 F193 | L160-V189 HydrophobicContact CD2-CG1 4.29Å; L170-V189 HydrophobicContact CD1-CG1 4.26Å; R175-V189 HydrophobicContact CG-CB 3.97Å; R175-V189 HydrophobicContact CG-CG1 3.68Å; L178-V189 HydrophobicContact CD2-CG1 4.04Å; A179-V189 HydrophobicContact CB-CG2 3.93Å; M184-V189 HydrophobicContact CB-CG2 4.14Å; S185-V189 PolarHBondContact O-N 2.86Å; S185-V189 VanDerWaalsContact O-N 3.09Å; D186-V189 PolarHBondContact O-N 2.86Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.06Å; V189-W192 PolarHBondContact O-N 3.19Å; V189-F193 HydrophobicContact CG1-CD2 3.77Å; V189-F193 HydrophobicContact CG1-CE2 3.89Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.3Å |
| 190 | K | 98 | Very high | 97.8 | Very high | 117 Ų | 117 | 70.8 Ų | 70.8 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.2 | -47.9 | 175.6 | -176.4 | 178.8 | 69.4 | -176.7 | 0 | 111.9 | D186 F193 Q194 | D186-K190 VanDerWaalsContact O-CB 3.3Å; D186-K190 WeakPolarHBondContact O-CB 3.3Å; D186-K190 PolarHBondContact O-N 2.93Å; K190-F193 PolarHBondContact O-N 3.06Å; K190-Q194 WeakPolarHBondContact O-CB 3.21Å; K190-Q194 PolarHBondContact O-N 2.88Å |
| 191 | T | 97.9 | Very high | 97.8 | Very high | 72 Ų | 72 | 70 Ų | 70 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | -178.7 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | A187 Q188 V189 Q194 N195 | A187-T191 WeakPolarHBondContact O-CB 3.37Å; A187-T191 PolarHBondContact O-N 3.28Å; A187-T191 PolarHBondContact O-OG1 3.1Å; Q188-T191 PolarHBondContact O-N 3.07Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.06Å; T191-Q194 PolarHBondContact O-N 3.47Å; T191-N195 WeakPolarHBondContact O-CB 3.39Å; T191-N195 VanDerWaalsContact O-CG 3.22Å; T191-N195 PolarHBondContact O-N 2.9Å; T191-N195 PolarHBondContact O-ND2 3.19Å |
| 192 | W | 98.3 | Very high | 97.7 | Very high | 31 Ų | 31 | 72.4 Ų | 72.4 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 175.9 | -173.3 | 95.3 | 0 | 0 | 0 | 111.4 | F152 L160 F164 Q188 V189 Q194 N195 R196 | F152-W192 AromaticContact CD2-CD1 3.78Å; F152-W192 HydrophobicContact CE2-CB 4.33Å; F152-W192 AromaticContact CE2-CD1 3.66Å; F152-W192 HydrophobicContact CE2-CG 4.35Å; L160-W192 VanDerWaalsContact C-CH2 3.48Å; L160-W192 HydrophobicContact CB-CD2 3.94Å; L160-W192 HydrophobicContact CB-CE3 3.92Å; L160-W192 HydrophobicContact CB-CH2 3.61Å; L160-W192 HydrophobicContact CB-CZ2 3.59Å; L160-W192 HydrophobicContact CB-CZ3 3.77Å; L160-W192 HydrophobicContact CD1-CD2 3.83Å; L160-W192 HydrophobicContact CD1-CE3 4.44Å; L160-W192 HydrophobicContact CD1-CG 3.85Å; L160-W192 HydrophobicContact CD2-CD2 4.29Å; L160-W192 HydrophobicContact CD2-CE3 4.12Å; L160-W192 HydrophobicContact CG-CD2 4.24Å; L160-W192 HydrophobicContact CG-CE3 4.39Å; L160-W192 WeakPolarHBondContact O-CH2 3.27Å; F164-W192 HydrophobicContact CB-CH2 4.08Å; F164-W192 HydrophobicContact CB-CZ3 4.01Å; F164-W192 HydrophobicContact CD2-CZ3 4.44Å; F164-W192 HydrophobicContact CG-CZ3 4.39Å; Q188-W192 WeakPolarHBondContact O-CB 3.45Å; Q188-W192 PolarHBondContact O-N 3.23Å; V189-W192 PolarHBondContact O-N 3.19Å; W192-Q194 VanDerWaalsContact C-N 3.32Å; W192-Q194 PolarHBondContact O-N 3.41Å; W192-N195 PolarHBondContact O-N 3.14Å; W192-R196 HydrophobicContact CD2-CB 4.48Å; W192-R196 HydrophobicContact CE3-CB 4.11Å; W192-R196 HydrophobicContact CH2-CB 4.05Å; W192-R196 HydrophobicContact CH2-CG 3.72Å; W192-R196 HydrophobicContact CZ2-CB 4.45Å; W192-R196 HydrophobicContact CZ2-CG 4.3Å; W192-R196 HydrophobicContact CZ3-CB 3.87Å; W192-R196 HydrophobicContact CZ3-CG 3.92Å; W192-R196 VanDerWaalsContact O-CB 3.28Å; W192-R196 WeakPolarHBondContact O-CB 3.29Å; W192-R196 PolarHBondContact O-N 3.49Å |
| 193 | F | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 74.7 Ų | 74.7 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 177.1 | -90.6 | -96.8 | 0 | 0 | 0 | 112.1 | L160 F164 L170 L178 V189 K190 R196 R197 | L160-F193 HydrophobicContact CD2-CE2 4.02Å; F164-F193 HydrophobicContact CB-CE1 4.15Å; F164-F193 HydrophobicContact CB-CZ 4.4Å; F164-F193 AromaticContact CD2-CD1 3.88Å; F164-F193 HydrophobicContact CD2-CD1 3.88Å; F164-F193 AromaticContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CG-CE1 4.49Å; L170-F193 HydrophobicContact CD1-CD1 4.31Å; L170-F193 HydrophobicContact CD1-CD2 3.88Å; L170-F193 HydrophobicContact CD1-CE1 3.8Å; L170-F193 HydrophobicContact CD1-CE2 3.32Å; L170-F193 HydrophobicContact CD1-CG 4.37Å; L170-F193 HydrophobicContact CD1-CZ 3.28Å; L170-F193 HydrophobicContact CD2-CE1 4.18Å; L170-F193 HydrophobicContact CD2-CZ 4.17Å; L170-F193 HydrophobicContact CG-CD1 4.04Å; L170-F193 HydrophobicContact CG-CD2 4.47Å; L170-F193 HydrophobicContact CG-CE1 3.56Å; L170-F193 HydrophobicContact CG-CE2 4.06Å; L170-F193 HydrophobicContact CG-CG 4.49Å; L170-F193 HydrophobicContact CG-CZ 3.6Å; L178-F193 HydrophobicContact CD2-CE2 3.87Å; L178-F193 HydrophobicContact CD2-CZ 4.25Å; V189-F193 HydrophobicContact CG1-CD2 3.77Å; V189-F193 HydrophobicContact CG1-CE2 3.89Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.3Å; K190-F193 PolarHBondContact O-N 3.06Å; F193-R196 PolarHBondContact O-N 3.02Å; F193-R197 WeakPolarHBondContact O-CB 3.47Å; F193-R197 WeakPolarHBondContact O-CG 3.42Å; F193-R197 PolarHBondContact O-N 3.17Å |
| 194 | Q | 98.6 | Very high | 97.4 | Very high | 87 Ų | 87 | 67.5 Ų | 67.5 | 41% | 0.407 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 174.4 | -176.9 | 59.7 | 41.2 | 0 | 0 | 111.6 | K190 T191 W192 R196 R197 T198 | K190-Q194 WeakPolarHBondContact O-CB 3.21Å; K190-Q194 PolarHBondContact O-N 2.88Å; T191-Q194 PolarHBondContact O-N 3.47Å; W192-Q194 VanDerWaalsContact C-N 3.32Å; W192-Q194 PolarHBondContact O-N 3.41Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.05Å; Q194-R197 PolarHBondContact O-N 3.44Å; Q194-T198 PolarHBondContact O-N 3.46Å; Q194-T198 PolarHBondContact O-OG1 2.93Å |
| 195 | N | 98.1 | Very high | 97.1 | Very high | 101 Ų | 101 | 69.5 Ų | 69.5 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 179.3 | -69.1 | -15.1 | 0 | 0 | 0 | 111.3 | T191 W192 T198 K199 | T191-N195 WeakPolarHBondContact O-CB 3.39Å; T191-N195 VanDerWaalsContact O-CG 3.22Å; T191-N195 PolarHBondContact O-N 2.9Å; T191-N195 PolarHBondContact O-ND2 3.19Å; W192-N195 PolarHBondContact O-N 3.14Å; N195-T198 PolarHBondContact O-N 3.49Å; N195-K199 PolarHBondContact O-N 3.39Å |
| 196 | R | 98.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 178.6 | -173.5 | 65.5 | -171.6 | 115.9 | -5.4 | 111.8 | E161 F164 W192 F193 Q194 K199 W200 | E161-R196 IonicContact OE1-CZ 3.35Å; E161-R196 IonicContact OE1-NE 3.1Å; E161-R196 PolarHBondContact OE1-NE 3.46Å; E161-R196 VanDerWaalsContact OE1-NE 3.1Å; E161-R196 IonicContact OE1-NH2 3.48Å; E161-R196 PolarHBondContact OE1-NH2 2.93Å; E161-R196 WeakPolarHBondContact OE2-CD 3.12Å; E161-R196 IonicContact OE2-CZ 3.61Å; E161-R196 IonicContact OE2-NE 2.77Å; E161-R196 PolarHBondContact OE2-NE 3.39Å; E161-R196 IonicContact OE2-NH2 3.52Å; F164-R196 HydrophobicContact CD1-CG 3.71Å; F164-R196 HydrophobicContact CD2-CB 4.39Å; F164-R196 HydrophobicContact CD2-CG 3.81Å; F164-R196 HydrophobicContact CE1-CG 3.63Å; F164-R196 HydrophobicContact CE2-CB 4.23Å; F164-R196 HydrophobicContact CE2-CG 3.74Å; F164-R196 HydrophobicContact CG-CG 3.8Å; F164-R196 HydrophobicContact CZ-CB 4.46Å; F164-R196 HydrophobicContact CZ-CG 3.65Å; W192-R196 HydrophobicContact CD2-CB 4.48Å; W192-R196 HydrophobicContact CE3-CB 4.11Å; W192-R196 HydrophobicContact CH2-CB 4.05Å; W192-R196 HydrophobicContact CH2-CG 3.72Å; W192-R196 HydrophobicContact CZ2-CB 4.45Å; W192-R196 HydrophobicContact CZ2-CG 4.3Å; W192-R196 HydrophobicContact CZ3-CB 3.87Å; W192-R196 HydrophobicContact CZ3-CG 3.92Å; W192-R196 VanDerWaalsContact O-CB 3.28Å; W192-R196 WeakPolarHBondContact O-CB 3.29Å; W192-R196 PolarHBondContact O-N 3.49Å; F193-R196 PolarHBondContact O-N 3.02Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.05Å; R196-K199 PolarHBondContact O-N 3.11Å; R196-W200 WeakPolarHBondContact O-CB 3.32Å; R196-W200 PolarHBondContact O-N 3.36Å |
| 197 | R | 98.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 74.5 Ų | 74.5 | 18% | 0.177 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 172.9 | -73.3 | -175.3 | -60.8 | -155.3 | 4.3 | 112.6 | F164 K168 F193 Q194 W200 R201 | F164-R197 HydrophobicContact CE2-CG 3.89Å; F164-R197 HydrophobicContact CZ-CG 4.38Å; K168-R197 WeakPolarHBondContact O-CD 3.47Å; F193-R197 WeakPolarHBondContact O-CB 3.47Å; F193-R197 WeakPolarHBondContact O-CG 3.42Å; F193-R197 PolarHBondContact O-N 3.17Å; Q194-R197 PolarHBondContact O-N 3.44Å; R197-W200 PolarHBondContact O-N 3.38Å; R197-R201 WeakPolarHBondContact O-CG 3.33Å; R197-R201 PolarHBondContact O-N 2.89Å |
| 198 | T | 98.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 78.6 Ų | 78.6 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.3 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | Q194 N195 R201 R202 | Q194-T198 PolarHBondContact O-N 3.46Å; Q194-T198 PolarHBondContact O-OG1 2.93Å; N195-T198 PolarHBondContact O-N 3.49Å; T198-R201 PolarHBondContact O-N 3Å; T198-R201 PolarHBondContact OG1-NH2 3.31Å; T198-R202 WeakPolarHBondContact O-CG 3.3Å; T198-R202 PolarHBondContact O-N 3.44Å; T198-R202 VanDerWaalsContact O-N 3.14Å |
| 199 | K | 98.1 | Very high | 94.9 | Very high | 120 Ų | 120 | 78 Ų | 78 | 52% | 0.522 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 174.8 | -173.8 | 176.2 | -179.7 | -178.7 | 0 | 111.4 | N195 R196 R201 R202 Q203 | N195-K199 PolarHBondContact O-N 3.39Å; R196-K199 PolarHBondContact O-N 3.11Å; K199-R201 PolarHBondContact O-N 3.41Å; K199-R202 PolarHBondContact O-N 3.42Å; K199-R202 VanDerWaalsContact O-N 3.17Å; K199-Q203 HydrophobicContact CG-CG 4.43Å; K199-Q203 VanDerWaalsContact O-CG 3.32Å; K199-Q203 WeakPolarHBondContact O-CG 3.46Å; K199-Q203 PolarHBondContact O-N 3.32Å |
| 200 | W | 97.5 | Very high | 93.9 | Very high | 100 Ų | 100 | 83.6 Ų | 83.6 | 38% | 0.379 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 178.2 | 173.9 | 70.8 | 0 | 0 | 0 | 112.3 | F164 R196 R197 R202 Q203 T204 | F164-W200 HydrophobicContact CE1-CB 4.45Å; F164-W200 HydrophobicContact CZ-CB 4.17Å; F164-W200 HydrophobicContact CZ-CG 4.38Å; R196-W200 WeakPolarHBondContact O-CB 3.32Å; R196-W200 PolarHBondContact O-N 3.36Å; R197-W200 PolarHBondContact O-N 3.38Å; W200-R202 VanDerWaalsContact C-N 3.3Å; W200-R202 PolarHBondContact O-N 3.05Å; W200-Q203 PolarHBondContact O-N 3.25Å; W200-T204 PolarHBondContact O-N 3.42Å; W200-T204 PolarHBondContact O-OG1 2.91Å; W200-T204 VanDerWaalsContact O-OG1 3.07Å |
| 201 | R | 97.2 | Very high | 92.7 | Very high | 142 Ų | 142 | 85.2 Ų | 85.2 | 54% | 0.536 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 176.4 | -74.6 | -174 | -61.8 | 132.3 | 0.8 | 113.3 | R197 T198 K199 A205 | R197-R201 WeakPolarHBondContact O-CG 3.33Å; R197-R201 PolarHBondContact O-N 2.89Å; T198-R201 PolarHBondContact O-N 3Å; T198-R201 PolarHBondContact OG1-NH2 3.31Å; K199-R201 PolarHBondContact O-N 3.41Å; R201-A205 WeakPolarHBondContact O-CB 3.32Å; R201-A205 PolarHBondContact O-N 3.44Å; R201-A205 VanDerWaalsContact O-N 3.16Å |
| 202 | R | 95.5 | Very high | 91.7 | Very high | 152 Ų | 152 | 91 Ų | 91 | 57% | 0.574 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.1 | -48.7 | 175.5 | -73.5 | 177.4 | 176.3 | 163.2 | -2.9 | 110.8 | T198 K199 W200 T204 A205 E206 | T198-R202 WeakPolarHBondContact O-CG 3.3Å; T198-R202 PolarHBondContact O-N 3.44Å; T198-R202 VanDerWaalsContact O-N 3.14Å; K199-R202 PolarHBondContact O-N 3.42Å; K199-R202 VanDerWaalsContact O-N 3.17Å; W200-R202 VanDerWaalsContact C-N 3.3Å; W200-R202 PolarHBondContact O-N 3.05Å; R202-T204 PolarHBondContact O-N 3.32Å; R202-A205 WeakPolarHBondContact O-CB 3.44Å; R202-A205 PolarHBondContact O-N 3.38Å; R202-E206 WeakPolarHBondContact O-CG 3.25Å; R202-E206 PolarHBondContact O-N 3.38Å |
| 203 | Q | 94.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 95.3 Ų | 95.3 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 177.2 | -68.4 | 175.2 | -47 | 0 | 0 | 111.7 | K199 W200 A205 E206 D207 | K199-Q203 HydrophobicContact CG-CG 4.43Å; K199-Q203 VanDerWaalsContact O-CG 3.32Å; K199-Q203 WeakPolarHBondContact O-CG 3.46Å; K199-Q203 PolarHBondContact O-N 3.32Å; W200-Q203 PolarHBondContact O-N 3.25Å; Q203-A205 PolarHBondContact O-N 3.33Å; Q203-E206 PolarHBondContact O-N 3.25Å; Q203-E206 VanDerWaalsContact O-N 3.14Å; Q203-D207 PolarHBondContact O-N 3.48Å |
| 204 | T | 92.3 | Very high | 88.1 | Confident | 48 Ų | 48 | 100.6 Ų | 100.6 | 29% | 0.294 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65 | -25.8 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 113.6 | W200 R202 K208 | W200-T204 PolarHBondContact O-N 3.42Å; W200-T204 PolarHBondContact O-OG1 2.91Å; W200-T204 VanDerWaalsContact O-OG1 3.07Å; R202-T204 PolarHBondContact O-N 3.32Å; T204-K208 VanDerWaalsContact O-CG 3.3Å; T204-K208 WeakPolarHBondContact O-CG 3.18Å |
| 205 | A | 90.9 | Very high | 86.2 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -77.8 | -38.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R201 R202 Q203 E209 | R201-A205 WeakPolarHBondContact O-CB 3.32Å; R201-A205 PolarHBondContact O-N 3.44Å; R201-A205 VanDerWaalsContact O-N 3.16Å; R202-A205 WeakPolarHBondContact O-CB 3.44Å; R202-A205 PolarHBondContact O-N 3.38Å; Q203-A205 PolarHBondContact O-N 3.33Å; A205-E209 PolarHBondContact O-N 3.27Å |
| 206 | E | 90 | Very high | 83.9 | Confident | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 176.1 | -70 | 157.1 | -161.9 | 0 | 0 | 111.2 | R202 Q203 K208 E209 Q210 | R202-E206 WeakPolarHBondContact O-CG 3.25Å; R202-E206 PolarHBondContact O-N 3.38Å; Q203-E206 PolarHBondContact O-N 3.25Å; Q203-E206 VanDerWaalsContact O-N 3.14Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 PolarHBondContact O-N 3.25Å; E206-E209 PolarHBondContact O-N 3.11Å; E206-Q210 PolarHBondContact O-N 3.09Å |
| 207 | D | 87 | Confident | 81.5 | Confident | 101 Ų | 101 | 108.3 Ų | 108.3 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 177.6 | -61.4 | -26.3 | 0 | 0 | 0 | 111.8 | Q203 Q210 E211 | Q203-D207 PolarHBondContact O-N 3.48Å; D207-Q210 PolarHBondContact O-N 3.42Å; D207-E211 PolarHBondContact O-N 3.25Å |
| 208 | K | 84.1 | Confident | 79.1 | Confident | 137 Ų | 137 | 115.6 Ų | 115.6 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.7 | -31.2 | 176.7 | -77.3 | 179.7 | 171.5 | -168.8 | 0 | 113.5 | T204 E206 | T204-K208 VanDerWaalsContact O-CG 3.3Å; T204-K208 WeakPolarHBondContact O-CG 3.18Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 PolarHBondContact O-N 3.25Å |
| 209 | E | 82.4 | Confident | 76.8 | Confident | 54 Ų | 54 | 120.3 Ų | 120.3 | 25% | 0.252 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.4 | -39.5 | 176 | -177 | 58.6 | -149.1 | 0 | 0 | 110 | A205 E206 E211 R212 Q213 | A205-E209 PolarHBondContact O-N 3.27Å; E206-E209 PolarHBondContact O-N 3.11Å; E209-E211 PolarHBondContact O-N 3.42Å; E209-R212 WeakPolarHBondContact O-CA 3.07Å; E209-R212 WeakPolarHBondContact O-CB 3.42Å; E209-R212 PolarHBondContact O-N 2.99Å; E209-Q213 WeakPolarHBondContact O-CG 3.45Å; E209-Q213 PolarHBondContact O-N 3.49Å; E209-Q213 PolarHBondContact OE1-NE2 3.46Å |
| 210 | Q | 78.2 | Confident | 74.2 | Confident | 117 Ų | 117 | 124 Ų | 124 | 55% | 0.547 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | 175.8 | -172.3 | 168.9 | 1.4 | 0 | 0 | 112.2 | E206 D207 R212 Q213 D214 | E206-Q210 PolarHBondContact O-N 3.09Å; D207-Q210 PolarHBondContact O-N 3.42Å; Q210-R212 PolarHBondContact O-N 3.15Å; Q210-Q213 CarbonylContact O-C 3.48Å; Q210-Q213 WeakPolarHBondContact O-CA 3.44Å; Q210-Q213 PolarHBondContact O-N 3.2Å; Q210-D214 PolarHBondContact O-N 3.45Å |
| 211 | E | 73.4 | Confident | 71.7 | Confident | 152 Ų | 152 | 128.5 Ų | 128.5 | 71% | 0.71 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.9 | -30.8 | 172.4 | -172.6 | -179.2 | -177.1 | 0 | 0 | 112.4 | D207 E209 | D207-E211 PolarHBondContact O-N 3.25Å; E209-E211 PolarHBondContact O-N 3.42Å |
| 212 | R | 75.1 | Confident | 68.9 | Low | 192 Ų | 192 | 124.2 Ų | 124.2 | 73% | 0.725 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80.5 | -20.7 | 172.8 | -60.5 | -159.5 | -144 | -164.3 | 10.9 | 114 | E209 Q210 P215 | E209-R212 WeakPolarHBondContact O-CA 3.07Å; E209-R212 WeakPolarHBondContact O-CB 3.42Å; E209-R212 PolarHBondContact O-N 2.99Å; Q210-R212 PolarHBondContact O-N 3.15Å; R212-P215 WeakPolarHBondContact O-CD 3.47Å |
| 213 | Q | 66.9 | Low | 66.2 | Low | 122 Ų | 122 | 123 Ų | 123 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -96.1 | -5.4 | -179.8 | -67 | -176.1 | 21.4 | 0 | 0 | 113.4 | E209 Q210 P215 | E209-Q213 WeakPolarHBondContact O-CG 3.45Å; E209-Q213 PolarHBondContact O-N 3.49Å; E209-Q213 PolarHBondContact OE1-NE2 3.46Å; Q210-Q213 CarbonylContact O-C 3.48Å; Q210-Q213 WeakPolarHBondContact O-CA 3.44Å; Q210-Q213 PolarHBondContact O-N 3.2Å; Q213-P215 VanDerWaalsContact C-N 3.31Å; Q213-P215 WeakPolarHBondContact O-CD 3.44Å |
| 214 | D | 55.9 | Low | 63.4 | Low | 121 Ų | 121 | 128.8 Ų | 128.8 | 65% | 0.647 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 22.8 | 167.5 | -77.8 | -35.3 | 0 | 0 | 0 | 116.7 | Q210 | Q210-D214 PolarHBondContact O-N 3.45Š|
| 215 | P | 57.6 | Low | 61 | Low | 87 Ų | 87 | 132 Ų | 132 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -3.6 | 162.7 | 28.1 | -21.2 | 0 | 0 | 0 | 115.5 | R212 Q213 K217 Y218 | R212-P215 WeakPolarHBondContact O-CD 3.47Å; Q213-P215 VanDerWaalsContact C-N 3.31Å; Q213-P215 WeakPolarHBondContact O-CD 3.44Å; P215-K217 PolarHBondContact O-N 3.4Å; P215-Y218 VanDerWaalsContact O-O 3.09Å |
| 216 | C | 49.9 | Very low | 58.3 | Low | 108 Ų | 108 | 139.6 Ų | 139.6 | 73% | 0.73 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 34.8 | -176.6 | -114.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 217 | K | 48 | Very low | 55.6 | Low | 200 Ų | 200 | 137.2 Ų | 137.2 | 87% | 0.87 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -0.3 | 153.3 | -76.5 | -149 | 176.7 | -176.2 | 0 | 113.6 | P215 | P215-K217 PolarHBondContact O-N 3.4Š|
| 218 | Y | 49.6 | Very low | 53.2 | Low | 199 Ų | 199 | 141.3 Ų | 141.3 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -125.3 | 142 | 163.3 | -73.4 | -86.7 | 0 | 0 | 0 | 106.7 | P215 | P215-Y218 VanDerWaalsContact O-O 3.09Š|
| 219 | I | 47.9 | Very low | 51.4 | Low | 133 Ų | 133 | 140 Ų | 140 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | trans | 89.7 | 58.2 | -173.3 | -38.6 | 162.4 | 0 | 0 | 0 | 114 | A222 | I219-A222 HydrophobicContact CG2-CB 4.45Š| ||
| 220 | E | 44.4 | Very low | 49.5 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -109.5 | 4.5 | 139.4 | -160 | 165.8 | -163.9 | 0 | 0 | 111.9 | ||
| 221 | E | 45 | Very low | 47.8 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -125.7 | 60.2 | 173.1 | -67.2 | -168.6 | -160 | 0 | 0 | 111.8 | ||
| 222 | A | 37.6 | Very low | 46.6 | Very low | 53 Ų | 53 | 144.4 Ų | 144.4 | 44% | 0.438 | 76% | 0.757 | S | S | . | * | trans | -150.6 | 93.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | I219 F224 | I219-A222 HydrophobicContact CG2-CB 4.45Å; A222-F224 HydrophobicContact CB-CD2 4.38Å; A222-F224 PolarHBondContact O-N 3.13Å | ||
| 223 | S | 40.5 | Very low | 45.2 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -42.1 | 101 | 163.8 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 224 | F | 35.2 | Very low | 44.1 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -124.9 | 128 | 164.2 | -93.3 | -84.8 | 0 | 0 | 0 | 109.5 | A222 | A222-F224 HydrophobicContact CB-CD2 4.38Å; A222-F224 PolarHBondContact O-N 3.13Å | ||
| 225 | P | 42.1 | Very low | 43.8 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -85.8 | 142.6 | -155.1 | 33.4 | -34.2 | 0 | 0 | 0 | 113 | G227 | P225-G227 PolarHBondContact O-N 3.37Š| ||
| 226 | F | 33 | Very low | 43.2 | Very low | 219 Ų | 219 | 144.5 Ų | 144.5 | 96% | 0.961 | 77% | 0.77 | S | S | * | * | trans | 7 | 99.7 | 151 | -164.5 | -98.8 | 0 | 0 | 0 | 116.6 | ||||
| 227 | G | 34.4 | Very low | 42.8 | Very low | 66 Ų | 66 | 150.2 Ų | 150.2 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | 176.7 | 108.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P225 | P225-G227 PolarHBondContact O-N 3.37Š| ||
| 228 | K | 37.1 | Very low | 43 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 80.2 | 74.5 | 170.7 | -63.1 | -178.4 | 179 | 176.3 | 0 | 117.5 | E230 | K228-E230 VanDerWaalsContact C-N 3.27Å; K228-E230 PolarHBondContact O-N 3.45Å; K228-E230 VanDerWaalsContact O-N 3.11Å | ||
| 229 | A | 44.4 | Very low | 42.5 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -71.2 | 79.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 230 | E | 44.3 | Very low | 42.1 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -126.5 | 6.4 | 173.8 | -90 | -172.7 | 164.9 | 0 | 0 | 114.8 | K228 | K228-E230 VanDerWaalsContact C-N 3.27Å; K228-E230 PolarHBondContact O-N 3.45Å; K228-E230 VanDerWaalsContact O-N 3.11Å | ||
| 231 | S | 41.6 | Very low | 41.8 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | trans | -132.4 | 60.3 | -179.3 | -161.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 232 | L | 48.4 | Very low | 41.8 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -123.2 | 4.5 | 162.8 | -72.8 | 178.3 | 0 | 0 | 0 | 113.5 | Y234 | L232-Y234 PolarHBondContact O-N 3.26Š| ||
| 233 | S | 45.7 | Very low | 42 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -76.7 | -7.2 | 170.9 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | F235 | S233-F235 VanDerWaalsContact C-N 3.28Å; S233-F235 PolarHBondContact O-N 3.05Å |
| 234 | Y | 44.5 | Very low | 42.1 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -75.8 | -8.9 | -173.7 | -128.1 | -91.2 | 0 | 0 | 0 | 115.2 | L232 | L232-Y234 PolarHBondContact O-N 3.26Š|
| 235 | F | 48.6 | Very low | 42.5 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 64% | 0.64 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -116.3 | -4.7 | -177 | -70.6 | -74.3 | 0 | 0 | 0 | 115.8 | S233 R237 | S233-F235 VanDerWaalsContact C-N 3.28Å; S233-F235 PolarHBondContact O-N 3.05Å; F235-R237 PolarHBondContact O-N 3.02Å; F235-R237 VanDerWaalsContact O-N 3.1Å |
| 236 | A | 44.2 | Very low | 42.5 | Very low | 80 Ų | 80 | 146.4 Ų | 146.4 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | -84.8 | 83.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P238 | A236-P238 WeakPolarHBondContact O-CD 3.38Š| ||
| 237 | R | 42.1 | Very low | 43.1 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 115.5 | 169.2 | -81.7 | -171.4 | 161.2 | -171.1 | -4.5 | 110.1 | F235 D239 | F235-R237 PolarHBondContact O-N 3.02Å; F235-R237 VanDerWaalsContact O-N 3.1Å; R237-D239 PolarHBondContact O-N 3.24Å | ||
| 238 | P | 52.1 | Low | 43.7 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -80.1 | -7.6 | -171.7 | -15.2 | 31.6 | 0 | 0 | 0 | 116.5 | A236 | A236-P238 WeakPolarHBondContact O-CD 3.38Š| ||
| 239 | D | 40.4 | Very low | 44.1 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -130.2 | 77.4 | -169.4 | -68.8 | -53.2 | 0 | 0 | 0 | 113.3 | R237 | R237-D239 PolarHBondContact O-N 3.24Š| ||
| 240 | V | 38 | Very low | 44.1 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -136.9 | 76.4 | 154.9 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 241 | C | 38.4 | Very low | 44.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -68.6 | 133.7 | 162.7 | -59.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 242 | I | 45.2 | Very low | 44.3 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 100% | 1.231 | 80% | 0.797 | S | S | * | * | trans | -49.7 | 0 | -172.8 | -64 | 165.5 | 0 | 0 | 0 | 114.6 |
Retrieved 242 of 242 residues in 69.5 ms
(Link to these results)