| 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 | 37.9 | Very low | 30.9 | Very low | 233 Ų | 233 | 171.5 Ų | 171.5 | 100% | 1.148 | 86% | 0.861 | S | S | * | * | 0 | 77.2 | 0 | -61.6 | 175.4 | 74.6 | 0 | 0 | 106 | |||||
| 2 | S | 33.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 170.9 Ų | 170.9 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | 72.7 | 119.6 | 93.3 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3 | G | 31 | Very low | 30.4 | Very low | 81 Ų | 81 | 169.8 Ų | 169.8 | 84% | 0.835 | 86% | 0.861 | S | S | * | * | cis | -172.8 | 163.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 4 | E | 31.1 | Very low | 31.1 | Very low | 189 Ų | 189 | 164.7 Ų | 164.7 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | -77.5 | 175.8 | 169.2 | -58.4 | 171 | 121.4 | 0 | 0 | 112.3 | ||||
| 5 | R | 32.4 | Very low | 30.8 | Very low | 194 Ų | 194 | 162.8 Ų | 162.8 | 73% | 0.732 | 84% | 0.844 | S | S | * | * | trans | 112.3 | 128.6 | 161.7 | -69.8 | -174.5 | 174.9 | -172.7 | -1.2 | 113.1 | ||||
| 6 | W | 28.2 | Very low | 31 | Very low | 209 Ų | 209 | 159.1 Ų | 159.1 | 79% | 0.792 | 84% | 0.837 | S | S | * | * | cis | -143.1 | 140.5 | 45.4 | -75.1 | 85.4 | 0 | 0 | 0 | 115.4 | ||||
| 7 | L | 28.6 | Very low | 31.1 | Very low | 148 Ų | 148 | 157.2 Ų | 157.2 | 78% | 0.775 | 84% | 0.836 | S | S | * | * | trans | -74.8 | 144.7 | 153.4 | -79.3 | 157.4 | 0 | 0 | 0 | 109.5 | ||||
| 8 | Q | 29.2 | Very low | 31.2 | Very low | 188 Ų | 188 | 157.8 Ų | 157.8 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -151.1 | 116.4 | 136.4 | -128.9 | 148.3 | -10.5 | 0 | 0 | 111.1 | ||||
| 9 | Q | 30.2 | Very low | 31.2 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | trans | -71.7 | 145.7 | 160.1 | -80.2 | 166 | -51.7 | 0 | 0 | 109.2 | ||||
| 10 | N | 26.6 | Very low | 31.2 | Very low | 167 Ų | 167 | 155.9 Ų | 155.9 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -154.2 | 133 | 132.2 | -107.6 | -5.4 | 0 | 0 | 0 | 110.5 | ||||
| 11 | Q | 30.5 | Very low | 31.3 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -65.8 | 144.8 | 167.1 | -75.3 | 163 | -57.6 | 0 | 0 | 110 | ||||
| 12 | D | 25.9 | Very low | 30.7 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | 174.7 | 127.1 | 120.7 | -83.2 | -25.4 | 0 | 0 | 0 | 110.8 | |||||
| 13 | N | 29.3 | Very low | 30.5 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -90.9 | 172.4 | 164.4 | -135 | 6.6 | 0 | 0 | 0 | 107.2 | ||||
| 14 | P | 39.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 152 Ų | 152 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | -138.7 | -165 | -1.7 | 32.4 | -7.6 | 0 | 0 | 0 | 113.5 | ||||
| 15 | T | 27.7 | Very low | 30.9 | Very low | 136 Ų | 136 | 152 Ų | 152 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | 103.2 | 98.9 | 158.7 | 61.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 16 | S | 33.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | -154.8 | 137.5 | 122.9 | 62 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 17 | P | 33.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -90.3 | 124.4 | -178.2 | 32.1 | -26.2 | 0 | 0 | 0 | 110.6 | ||||
| 18 | H | 32.4 | Very low | 32.5 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -68.5 | 141.1 | 162.3 | -78.5 | -77.3 | 0 | 0 | 0 | 109.8 | L20 | H18-L20 PolarHBondContact O-N 3.18Å; H18-L20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | P | 31.8 | Very low | 33.2 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -68.4 | 112.5 | -172.8 | 26.4 | -32.4 | 0 | 0 | 0 | 110.4 | V21 | P19-V21 PolarHBondContact O-N 3.33Š| ||
| 20 | L | 30.8 | Very low | 33.8 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -59.3 | 115.4 | 162.3 | -72.8 | 166.6 | 0 | 0 | 0 | 108 | H18 F22 | H18-L20 PolarHBondContact O-N 3.18Å; H18-L20 VanDerWaalsContact O-N 3.08Å; L20-F22 PolarHBondContact O-N 3.06Å | ||
| 21 | V | 32.5 | Very low | 34.8 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -58 | 109.8 | 164.2 | 175.4 | 0 | 0 | 0 | 0 | 106.8 | P19 C23 | P19-V21 PolarHBondContact O-N 3.33Å; V21-C23 PolarHBondContact O-N 3Å; V21-C23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | F | 25.7 | Very low | 35.5 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -63.3 | 106.6 | 174 | -104.5 | -98.5 | 0 | 0 | 0 | 109 | L20 | L20-F22 PolarHBondContact O-N 3.06Š| ||
| 23 | C | 29.4 | Very low | 36.2 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 72% | 0.716 | 71% | 0.707 | S | S | * | * | trans | -63.6 | 130.8 | 156.1 | -76 | 0 | 0 | 0 | 0 | 108 | V21 K25 | V21-C23 PolarHBondContact O-N 3Å; V21-C23 VanDerWaalsContact O-N 3.08Å; C23-K25 PolarHBondContact O-N 3.33Å | ||
| 24 | P | 34.6 | Very low | 36.9 | Very low | 98 Ų | 98 | 122 Ų | 122 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -60.6 | 132.4 | 176.5 | -10.8 | 22.6 | 0 | 0 | 0 | 108.7 | T26 | P24-T26 PolarHBondContact O-N 3.09Š| ||
| 25 | K | 35.8 | Very low | 37.3 | Very low | 190 Ų | 190 | 119.8 Ų | 119.8 | 83% | 0.826 | 68% | 0.682 | S | S | * | * | trans | -46.5 | 102.7 | 178.3 | -62.6 | 176 | 179.4 | 177.5 | 0 | 110.8 | C23 K27 | C23-K25 PolarHBondContact O-N 3.33Å; K25-K27 PolarHBondContact O-N 3.25Å | ||
| 26 | T | 40 | Very low | 38 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 52% | 0.515 | 67% | 0.673 | S | S | . | * | trans | -71.3 | 116 | 165.6 | 47 | 0 | 0 | 0 | 0 | 107.1 | P24 T28 | P24-T26 PolarHBondContact O-N 3.09Å; T26-T28 PolarHBondContact O-N 3.02Å | ||
| 27 | K | 43.3 | Very low | 38.6 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | trans | -69.3 | 112.6 | 176.5 | -67.7 | -177.3 | 178.6 | -179.6 | 0 | 108.2 | K25 C29 | K25-K27 PolarHBondContact O-N 3.25Å; K27-C29 PolarHBondContact O-N 3.48Å; K27-C29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | T | 40.5 | Very low | 39.4 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 56% | 0.564 | 68% | 0.678 | S | S | * | * | trans | -64.9 | 105.3 | 160.1 | -48.8 | 0 | 0 | 0 | 0 | 106.6 | T26 | T26-T28 PolarHBondContact O-N 3.02Š| ||
| 29 | C | 43 | Very low | 40.7 | Very low | 84 Ų | 84 | 116.8 Ų | 116.8 | 57% | 0.568 | 67% | 0.669 | S | S | * | * | trans | -121.2 | 119.5 | 179 | -168.3 | 0 | 0 | 0 | 0 | 108 | K27 Y31 | K27-C29 PolarHBondContact O-N 3.48Å; K27-C29 VanDerWaalsContact O-N 3.08Å; C29-Y31 PolarHBondContact O-N 2.93Å | ||
| 30 | G | 42.7 | Very low | 43.1 | Very low | 49 Ų | 49 | 119.1 Ų | 119.1 | 51% | 0.505 | 67% | 0.667 | S | S | . | * | trans | -54 | 130 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | R32 | G30-R32 PolarHBondContact O-N 3.36Š| ||
| 31 | Y | 48.5 | Very low | 45.8 | Very low | 54 Ų | 54 | 117.1 Ų | 117.1 | 21% | 0.212 | 65% | 0.65 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | 39.9 | -174.2 | -162.1 | -100.5 | 0 | 0 | 0 | 113.5 | C29 V35 V75 | C29-Y31 PolarHBondContact O-N 2.93Å; Y31-V35 HydrophobicContact CD1-CG2 4.16Å; Y31-V35 HydrophobicContact CE1-CB 4.07Å; Y31-V35 HydrophobicContact CE1-CG2 3.29Å; Y31-V35 HydrophobicContact CE2-CG2 3.71Å; Y31-V35 WeakPolarHBondContact OH-CG2 3.5Å; Y31-V75 HydrophobicContact CD2-CG2 3.51Å; Y31-V75 HydrophobicContact CE2-CG2 3.88Å; Y31-V75 HydrophobicContact CG-CG2 4.29Å |
| 32 | R | 44.4 | Very low | 48.5 | Very low | 252 Ų | 252 | 111 Ų | 111 | 95% | 0.951 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -14.7 | 164.6 | -84.6 | -166.1 | -169.8 | -146.8 | 4 | 113 | G30 | G30-R32 PolarHBondContact O-N 3.36Š|
| 33 | G | 41.1 | Very low | 51.7 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 71% | 0.711 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -103.3 | -18.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 34 | A | 45.2 | Very low | 54.8 | Low | 77 Ų | 77 | 103.4 Ų | 103.4 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -111.3 | -8.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 35 | V | 48 | Very low | 57.7 | Low | 52 Ų | 52 | 100.6 Ų | 100.6 | 32% | 0.315 | 54% | 0.544 | S | S | . | . | trans | -109.6 | 91.4 | 167.5 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | Y31 L37 | Y31-V35 HydrophobicContact CD1-CG2 4.16Å; Y31-V35 HydrophobicContact CE1-CB 4.07Å; Y31-V35 HydrophobicContact CE1-CG2 3.29Å; Y31-V35 HydrophobicContact CE2-CG2 3.71Å; Y31-V35 WeakPolarHBondContact OH-CG2 3.5Å; V35-L37 PolarHBondContact O-N 3.13Å; V35-L37 VanDerWaalsContact O-N 3.07Å | ||
| 36 | T | 41.7 | Very low | 60.6 | Low | 108 Ų | 108 | 91.5 Ų | 91.5 | 66% | 0.663 | 50% | 0.504 | S | S | * | . | trans | -47.8 | 118.7 | 148 | 45.3 | 0 | 0 | 0 | 0 | 107.1 | G38 N39 | T36-G38 PolarHBondContact O-N 2.94Å; T36-N39 PolarHBondContact O-N 3.48Å | ||
| 37 | L | 47 | Very low | 63.1 | Low | 188 Ų | 188 | 90 Ų | 90 | 98% | 0.984 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 68.7 | 170.8 | -169.2 | 85.8 | 0 | 0 | 0 | 111 | V35 | V35-L37 PolarHBondContact O-N 3.13Å; V35-L37 VanDerWaalsContact O-N 3.07Å |
| 38 | G | 49.9 | Very low | 65.4 | Low | 63 Ų | 63 | 84.1 Ų | 84.1 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 178.7 | -18.6 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T36 K40 | T36-G38 PolarHBondContact O-N 2.94Å; G38-K40 PolarHBondContact O-N 3.03Å |
| 39 | N | 59.5 | Low | 68.1 | Low | 114 Ų | 114 | 83.4 Ų | 83.4 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | trans | -84.8 | 107.7 | 174.9 | -121.4 | -5.5 | 0 | 0 | 0 | 110.7 | T36 Y41 | T36-N39 PolarHBondContact O-N 3.48Å; N39-Y41 PolarHBondContact O-N 3.4Å; N39-Y41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | K | 80.9 | Confident | 70.6 | Confident | 167 Ų | 167 | 84 Ų | 84 | 73% | 0.726 | 49% | 0.486 | S | S | * | . | trans | -66.7 | -12.2 | -178.2 | -63 | -177.9 | -179.7 | -178.1 | 0 | 113.5 | G38 P54 L55 | G38-K40 PolarHBondContact O-N 3.03Å; K40-P54 CarbonylContact O-C 3.56Å; K40-P54 VanDerWaalsContact O-CA 3.3Å; K40-P54 WeakPolarHBondContact O-CA 3.49Å; K40-L55 PolarHBondContact O-N 3.08Å | ||
| 41 | Y | 87.4 | Confident | 73.1 | Confident | 116 Ų | 116 | 83 Ų | 83 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145.9 | -171.8 | -68.6 | -94.5 | 0 | 0 | 0 | 112.3 | N39 F52 T53 P54 | N39-Y41 PolarHBondContact O-N 3.4Å; N39-Y41 VanDerWaalsContact O-N 3.15Å; Y41-F52 AromaticContact CD1-CD1 3.82Å; Y41-F52 HydrophobicContact CD1-CD1 3.82Å; Y41-F52 AromaticContact CD1-CE1 3.29Å; Y41-F52 HydrophobicContact CD1-CE1 3.29Å; Y41-F52 AromaticContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD2-CE1 4.33Å; Y41-F52 HydrophobicContact CD2-CZ 4.32Å; Y41-F52 HydrophobicContact CE1-CD1 4.43Å; Y41-F52 AromaticContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CG-CD1 4.41Å; Y41-F52 AromaticContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE2 4.42Å; Y41-F52 AromaticContact CG-CZ 3.55Å; Y41-F52 HydrophobicContact CG-CZ 3.55Å; Y41-T53 WeakPolarHBondContact CA-O 3.29Å; Y41-P54 HydrophobicContact CD1-CB 4.44Å; Y41-P54 HydrophobicContact CD1-CG 4.09Å; Y41-P54 HydrophobicContact CE1-CB 4.35Å; Y41-P54 HydrophobicContact CE1-CG 3.67Å |
| 42 | A | 90.2 | Very high | 75.2 | Confident | 7 Ų | 7 | 86.1 Ų | 86.1 | 6% | 0.058 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L44 T53 L55 L58 F69 | A42-L44 HydrophobicContact CB-CD1 4.21Å; A42-T53 PolarHBondContact N-O 3.39Å; A42-T53 PolarHBondContact O-N 3.04Å; A42-T53 VanDerWaalsContact O-N 3.15Å; A42-L55 HydrophobicContact CB-CD1 4.27Å; A42-L58 HydrophobicContact CB-CD1 3.6Å; A42-F69 HydrophobicContact CB-CD1 4.03Å; A42-F69 HydrophobicContact CB-CE1 3.64Å; A42-F69 HydrophobicContact CB-CZ 4.36Å |
| 43 | R | 92.9 | Very high | 77.5 | Confident | 125 Ų | 125 | 74.1 Ų | 74.1 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.7 | 174.8 | -71.3 | 178.2 | -175.8 | -175.6 | 0.6 | 108.6 | F52 W82 V83 | R43-F52 HydrophobicContact CG-CD2 3.7Å; R43-F52 HydrophobicContact CG-CE2 3.79Å; R43-W82 HydrophobicContact CB-CD2 3.89Å; R43-W82 HydrophobicContact CB-CE3 3.56Å; R43-W82 HydrophobicContact CB-CH2 4.33Å; R43-W82 HydrophobicContact CB-CZ3 3.8Å; R43-W82 HydrophobicContact CG-CE3 4.44Å; R43-W82 HydrophobicContact CG-CH2 4.4Å; R43-W82 HydrophobicContact CG-CZ3 4.33Å; R43-V83 PolarHBondContact O-N 2.86Å |
| 44 | L | 95.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.2 | -178.8 | -52.1 | 93.7 | 0 | 0 | 0 | 110.8 | A42 V46 L50 F51 T53 L58 F69 W82 V83 I85 F92 | A42-L44 HydrophobicContact CB-CD1 4.21Å; L44-V46 HydrophobicContact CB-CG2 4.28Å; L44-L50 CarbonylContact O-C 3.58Å; L44-L50 WeakPolarHBondContact O-CA 3.45Å; L44-F51 HydrophobicContact CB-CB 4.34Å; L44-F51 HydrophobicContact CD1-CB 4.48Å; L44-F51 PolarHBondContact N-O 3.38Å; L44-F51 PolarHBondContact O-N 3.24Å; L44-T53 HydrophobicContact CD1-CG2 3.71Å; L44-L58 HydrophobicContact CD1-CD1 4.12Å; L44-L58 HydrophobicContact CD2-CD1 4.36Å; L44-L58 HydrophobicContact CD2-CD2 4.35Å; L44-F69 HydrophobicContact CD2-CE2 3.58Å; L44-F69 HydrophobicContact CD2-CZ 3.49Å; L44-F69 VanDerWaalsContact CD2-CZ 3.49Å; L44-F69 HydrophobicContact CG-CE2 4.41Å; L44-F69 HydrophobicContact CG-CZ 3.82Å; L44-W82 WeakPolarHBondContact O-CZ3 3.34Å; L44-V83 CarbonylContact C-O 3.58Å; L44-V83 WeakPolarHBondContact CA-O 3.35Å; L44-I85 HydrophobicContact CD2-CD1 3.96Å; L44-F92 HydrophobicContact CD2-CE1 4.46Å; L44-F92 HydrophobicContact CD2-CZ 4.08Å |
| 45 | N | 95.4 | Very high | 82 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 107.4 | 169.1 | -178.5 | -11.7 | 0 | 0 | 0 | 107.9 | G48 L50 W82 V83 L84 I85 | N45-G48 WeakPolarHBondContact OD1-CA 3.42Å; N45-G48 PolarHBondContact OD1-N 2.98Å; N45-L50 HydrophobicContact CB-CD2 3.8Å; N45-W82 HydrophobicContact CB-CB 4.34Å; N45-W82 HydrophobicContact CB-CE3 4.47Å; N45-V83 PolarHBondContact N-O 3.45Å; N45-L84 HydrophobicContact CB-CD2 3.8Å; N45-I85 PolarHBondContact O-N 2.96Å |
| 46 | V | 96.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 98.9 | -176.2 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | L44 G48 I49 F51 I85 R87 G89 F92 | L44-V46 HydrophobicContact CB-CG2 4.28Å; V46-G48 PolarHBondContact O-N 3.05Å; V46-I49 PolarHBondContact N-O 2.92Å; V46-I49 PolarHBondContact O-N 3.15Å; V46-F51 HydrophobicContact CB-CD2 4.17Å; V46-F51 HydrophobicContact CB-CE2 4Å; V46-F51 HydrophobicContact CG2-CD2 3.84Å; V46-F51 HydrophobicContact CG2-CE2 4.12Å; V46-I85 WeakPolarHBondContact CA-O 3.47Å; V46-I85 HydrophobicContact CG1-CB 4.34Å; V46-I85 HydrophobicContact CG1-CG2 4.26Å; V46-I85 HydrophobicContact CG2-CB 4.24Å; V46-I85 HydrophobicContact CG2-CD1 4.16Å; V46-R87 CarbonylContact C-O 3.34Å; V46-R87 HydrophobicContact CG1-CB 4.15Å; V46-G89 WeakPolarHBondContact O-CA 3.48Å; V46-G89 PolarHBondContact O-N 3.06Å; V46-F92 HydrophobicContact CB-CG 4.48Å; V46-F92 HydrophobicContact CG1-CD2 4.17Å; V46-F92 HydrophobicContact CG1-CG 4.37Å; V46-F92 HydrophobicContact CG2-CD1 3.97Å; V46-F92 HydrophobicContact CG2-CD2 4.11Å; V46-F92 HydrophobicContact CG2-CE1 3.9Å; V46-F92 HydrophobicContact CG2-CE2 4.06Å; V46-F92 HydrophobicContact CG2-CG 4.06Å; V46-F92 HydrophobicContact CG2-CZ 3.96Å |
| 47 | G | 92.9 | Very high | 86.3 | Confident | 51 Ų | 51 | 72 Ų | 72 | 53% | 0.526 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 33.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I85 R87 | G47-I85 PolarHBondContact N-O 3.33Å; G47-R87 WeakPolarHBondContact CA-O 3.42Å; G47-R87 PolarHBondContact N-O 2.93Å |
| 48 | G | 92 | Very high | 88.4 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -8.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N45 V46 | N45-G48 WeakPolarHBondContact OD1-CA 3.42Å; N45-G48 PolarHBondContact OD1-N 2.98Å; V46-G48 PolarHBondContact O-N 3.05Å |
| 49 | I | 95.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 63.1 Ų | 63.1 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.6 | 177 | -55.3 | -179.3 | 0 | 0 | 0 | 109.7 | V46 F51 | V46-I49 PolarHBondContact N-O 2.92Å; V46-I49 PolarHBondContact O-N 3.15Å; I49-F51 HydrophobicContact CB-CE2 3.76Å; I49-F51 HydrophobicContact CB-CZ 4.19Å; I49-F51 HydrophobicContact CG2-CD2 4.27Å; I49-F51 HydrophobicContact CG2-CE1 4.33Å; I49-F51 HydrophobicContact CG2-CE2 3.44Å; I49-F51 VanDerWaalsContact CG2-CE2 3.44Å; I49-F51 HydrophobicContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact O-CD2 3.31Å; I49-F51 WeakPolarHBondContact O-CD2 3.46Å; I49-F51 WeakPolarHBondContact O-CE2 3.39Å |
| 50 | L | 95.2 | Very high | 91.5 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 132.3 | -175.9 | -56.1 | -179.1 | 0 | 0 | 0 | 111.4 | L44 N45 W82 | L44-L50 CarbonylContact O-C 3.58Å; L44-L50 WeakPolarHBondContact O-CA 3.45Å; N45-L50 HydrophobicContact CB-CD2 3.8Å; L50-W82 HydrophobicContact CB-CH2 3.83Å; L50-W82 HydrophobicContact CB-CZ3 3.82Å; L50-W82 HydrophobicContact CD1-CH2 4.12Å; L50-W82 HydrophobicContact CD1-CZ2 4.1Å; L50-W82 HydrophobicContact CD2-CD2 4.14Å; L50-W82 HydrophobicContact CD2-CE3 3.89Å; L50-W82 HydrophobicContact CD2-CH2 4.19Å; L50-W82 HydrophobicContact CD2-CZ2 4.38Å; L50-W82 HydrophobicContact CD2-CZ3 3.93Å; L50-W82 HydrophobicContact CG-CH2 4.27Å; L50-W82 HydrophobicContact CG-CZ3 4.33Å |
| 51 | F | 95.6 | Very high | 91.6 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.5 | 177.7 | -63.6 | -86.2 | 0 | 0 | 0 | 111.3 | L44 V46 I49 F92 L96 | L44-F51 HydrophobicContact CB-CB 4.34Å; L44-F51 HydrophobicContact CD1-CB 4.48Å; L44-F51 PolarHBondContact N-O 3.38Å; L44-F51 PolarHBondContact O-N 3.24Å; V46-F51 HydrophobicContact CB-CD2 4.17Å; V46-F51 HydrophobicContact CB-CE2 4Å; V46-F51 HydrophobicContact CG2-CD2 3.84Å; V46-F51 HydrophobicContact CG2-CE2 4.12Å; I49-F51 HydrophobicContact CB-CE2 3.76Å; I49-F51 HydrophobicContact CB-CZ 4.19Å; I49-F51 HydrophobicContact CG2-CD2 4.27Å; I49-F51 HydrophobicContact CG2-CE1 4.33Å; I49-F51 HydrophobicContact CG2-CE2 3.44Å; I49-F51 VanDerWaalsContact CG2-CE2 3.44Å; I49-F51 HydrophobicContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact O-CD2 3.31Å; I49-F51 WeakPolarHBondContact O-CD2 3.46Å; I49-F51 WeakPolarHBondContact O-CE2 3.39Å; F51-F92 HydrophobicContact CB-CD1 4.31Å; F51-F92 HydrophobicContact CB-CE1 4.18Å; F51-F92 AromaticContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CE1 4.4Å; F51-F92 AromaticContact CD2-CD1 3.47Å; F51-F92 HydrophobicContact CD2-CD1 3.47Å; F51-F92 VanDerWaalsContact CD2-CD1 3.47Å; F51-F92 AromaticContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CG 4.32Å; F51-F92 HydrophobicContact CE1-CB 4.24Å; F51-F92 AromaticContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE2-CB 3.85Å; F51-F92 AromaticContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CE1 4.49Å; F51-F92 HydrophobicContact CE2-CG 4.02Å; F51-F92 AromaticContact CG-CD1 3.56Å; F51-F92 HydrophobicContact CG-CD1 3.56Å; F51-F92 AromaticContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CZ-CB 3.65Å; F51-F92 AromaticContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CG 4.16Å; F51-L96 HydrophobicContact CB-CD1 4.46Å; F51-L96 HydrophobicContact CD1-CD1 3.99Å; F51-L96 HydrophobicContact CG-CD1 4.48Å |
| 52 | F | 93.3 | Very high | 91.5 | Very high | 119 Ų | 119 | 58.8 Ų | 58.8 | 52% | 0.522 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.5 | 174.8 | -167.1 | -109.1 | 0 | 0 | 0 | 108.9 | Y41 R43 | Y41-F52 AromaticContact CD1-CD1 3.82Å; Y41-F52 HydrophobicContact CD1-CD1 3.82Å; Y41-F52 AromaticContact CD1-CE1 3.29Å; Y41-F52 HydrophobicContact CD1-CE1 3.29Å; Y41-F52 AromaticContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD2-CE1 4.33Å; Y41-F52 HydrophobicContact CD2-CZ 4.32Å; Y41-F52 HydrophobicContact CE1-CD1 4.43Å; Y41-F52 AromaticContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CG-CD1 4.41Å; Y41-F52 AromaticContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE2 4.42Å; Y41-F52 AromaticContact CG-CZ 3.55Å; Y41-F52 HydrophobicContact CG-CZ 3.55Å; R43-F52 HydrophobicContact CG-CD2 3.7Å; R43-F52 HydrophobicContact CG-CE2 3.79Å |
| 53 | T | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 148.8 | -175 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | Y41 A42 L44 L58 L96 | Y41-T53 WeakPolarHBondContact CA-O 3.29Å; A42-T53 PolarHBondContact N-O 3.39Å; A42-T53 PolarHBondContact O-N 3.04Å; A42-T53 VanDerWaalsContact O-N 3.15Å; L44-T53 HydrophobicContact CD1-CG2 3.71Å; T53-L58 HydrophobicContact CG2-CD1 3.65Å; T53-L58 HydrophobicContact CG2-CD2 3.81Å; T53-L58 HydrophobicContact CG2-CG 3.66Å; T53-L96 HydrophobicContact CG2-CD2 4.06Å |
| 54 | P | 91.3 | Very high | 91.4 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 26% | 0.26 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 143 | 172.9 | -20.8 | 30.9 | 0 | 0 | 0 | 111.5 | K40 Y41 Q56 V57 | K40-P54 CarbonylContact O-C 3.56Å; K40-P54 VanDerWaalsContact O-CA 3.3Å; K40-P54 WeakPolarHBondContact O-CA 3.49Å; Y41-P54 HydrophobicContact CD1-CB 4.44Å; Y41-P54 HydrophobicContact CD1-CG 4.09Å; Y41-P54 HydrophobicContact CE1-CB 4.35Å; Y41-P54 HydrophobicContact CE1-CG 3.67Å; P54-Q56 PolarHBondContact O-N 3.43Å; P54-V57 HydrophobicContact CB-CG2 4.24Å; P54-V57 HydrophobicContact CG-CG2 4.26Å; P54-V57 WeakPolarHBondContact O-CB 3.37Å; P54-V57 PolarHBondContact O-N 3.44Å; P54-V57 VanDerWaalsContact O-N 3.1Å |
| 55 | L | 89.3 | Confident | 91.2 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -36.2 | 178.4 | -164 | 71.3 | 0 | 0 | 0 | 111.3 | K40 A42 V57 L58 T59 F69 | K40-L55 PolarHBondContact O-N 3.08Å; A42-L55 HydrophobicContact CB-CD1 4.27Å; L55-V57 PolarHBondContact O-N 3.17Å; L55-L58 PolarHBondContact O-N 3.4Å; L55-T59 HydrophobicContact CG-CG2 4.45Å; L55-T59 PolarHBondContact O-N 3.08Å; L55-T59 PolarHBondContact O-OG1 3.33Å; L55-F69 HydrophobicContact CD1-CB 3.76Å; L55-F69 HydrophobicContact CD1-CD1 3.68Å; L55-F69 HydrophobicContact CD1-CG 4.07Å |
| 56 | Q | 89.6 | Confident | 90.9 | Very high | 159 Ų | 159 | 53.3 Ų | 53.3 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -55.2 | -35.3 | 177.2 | -177.1 | 179.9 | -8.7 | 0 | 0 | 113.1 | P54 S60 | P54-Q56 PolarHBondContact O-N 3.43Å; Q56-S60 WeakPolarHBondContact O-CA 3.49Å; Q56-S60 WeakPolarHBondContact O-CB 3.43Å; Q56-S60 PolarHBondContact O-N 2.72Å |
| 57 | V | 90.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.109 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 178.3 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | P54 L55 T59 S60 L99 R100 | P54-V57 HydrophobicContact CB-CG2 4.24Å; P54-V57 HydrophobicContact CG-CG2 4.26Å; P54-V57 WeakPolarHBondContact O-CB 3.37Å; P54-V57 PolarHBondContact O-N 3.44Å; P54-V57 VanDerWaalsContact O-N 3.1Å; L55-V57 PolarHBondContact O-N 3.17Å; V57-T59 VanDerWaalsContact C-N 3.31Å; V57-T59 PolarHBondContact O-N 3.23Å; V57-S60 PolarHBondContact O-N 3.5Å; V57-S60 PolarHBondContact O-OG 3.29Å; V57-L99 HydrophobicContact CG1-CB 3.84Å; V57-R100 HydrophobicContact CB-CG 4.36Å; V57-R100 HydrophobicContact CG1-CG 3.6Å; V57-R100 HydrophobicContact CG2-CG 3.76Å |
| 58 | L | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72 | -30 | -179.8 | -62 | 169.7 | 0 | 0 | 0 | 111.8 | A42 L44 T53 L55 L65 G66 F69 L96 | A42-L58 HydrophobicContact CB-CD1 3.6Å; L44-L58 HydrophobicContact CD1-CD1 4.12Å; L44-L58 HydrophobicContact CD2-CD1 4.36Å; L44-L58 HydrophobicContact CD2-CD2 4.35Å; T53-L58 HydrophobicContact CG2-CD1 3.65Å; T53-L58 HydrophobicContact CG2-CD2 3.81Å; T53-L58 HydrophobicContact CG2-CG 3.66Å; L55-L58 PolarHBondContact O-N 3.4Å; L58-L65 HydrophobicContact CD2-CB 4.38Å; L58-L65 HydrophobicContact CD2-CD1 4.18Å; L58-L65 CarbonylContact O-C 3.57Å; L58-G66 WeakPolarHBondContact O-CA 3.44Å; L58-G66 PolarHBondContact O-N 2.74Å; L58-G66 VanDerWaalsContact O-N 3.13Å; L58-F69 HydrophobicContact CB-CB 4.23Å; L58-F69 HydrophobicContact CB-CD2 4.07Å; L58-F69 HydrophobicContact CB-CG 4.2Å; L58-F69 HydrophobicContact CD1-CD1 3.91Å; L58-F69 HydrophobicContact CD1-CD2 3.65Å; L58-F69 HydrophobicContact CD1-CE1 3.99Å; L58-F69 HydrophobicContact CD1-CE2 3.76Å; L58-F69 HydrophobicContact CD1-CG 3.74Å; L58-F69 HydrophobicContact CD1-CZ 3.92Å; L58-F69 HydrophobicContact CG-CD2 4.32Å; L58-L96 HydrophobicContact CD2-CD2 3.98Å |
| 59 | T | 88.5 | Confident | 90 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 7.7 | 179 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | L55 V57 Q61 F69 | L55-T59 HydrophobicContact CG-CG2 4.45Å; L55-T59 PolarHBondContact O-N 3.08Å; L55-T59 PolarHBondContact O-OG1 3.33Å; V57-T59 VanDerWaalsContact C-N 3.31Å; V57-T59 PolarHBondContact O-N 3.23Å; T59-Q61 VanDerWaalsContact C-N 3.3Å; T59-Q61 PolarHBondContact O-N 3.32Å; T59-F69 HydrophobicContact CG2-CB 4.24Å |
| 60 | S | 86.2 | Confident | 89.2 | Confident | 57 Ų | 57 | 49 Ų | 49 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -67 | -32.1 | -173.5 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | Q56 V57 L99 | Q56-S60 WeakPolarHBondContact O-CA 3.49Å; Q56-S60 WeakPolarHBondContact O-CB 3.43Å; Q56-S60 PolarHBondContact O-N 2.72Å; V57-S60 PolarHBondContact O-N 3.5Å; V57-S60 PolarHBondContact O-OG 3.29Å; S60-L99 PolarHBondContact OG-O 3.31Å |
| 61 | Q | 84.2 | Confident | 88.3 | Confident | 89 Ų | 89 | 46.8 Ų | 46.8 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -134.3 | 160.1 | -177.5 | -56.3 | -149.2 | -9.2 | 0 | 0 | 111.9 | T59 S63 L99 | T59-Q61 VanDerWaalsContact C-N 3.3Å; T59-Q61 PolarHBondContact O-N 3.32Å; Q61-S63 PolarHBondContact O-N 3.19Å; Q61-S63 PolarHBondContact O-OG 2.77Å; Q61-L99 HydrophobicContact CB-CD2 4.35Å |
| 62 | N | 85.1 | Confident | 87.3 | Confident | 160 Ų | 160 | 53.7 Ų | 53.7 | 86% | 0.856 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71.6 | 91.8 | 176.8 | -169.6 | 26.7 | 0 | 0 | 0 | 110.3 | ||
| 63 | S | 90.8 | Very high | 86.5 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -138.5 | 168 | -176.6 | 63.2 | 0 | 0 | 0 | 0 | 110 | Q61 L65 G66 A67 Y123 | Q61-S63 PolarHBondContact O-N 3.19Å; Q61-S63 PolarHBondContact O-OG 2.77Å; S63-L65 PolarHBondContact O-N 3.29Å; S63-G66 WeakPolarHBondContact O-CA 3.17Å; S63-G66 PolarHBondContact O-N 2.56Å; S63-G66 PolarHBondContact OG-N 2.85Å; S63-G66 VanDerWaalsContact OG-N 3.13Å; S63-A67 PolarHBondContact O-N 3.36Å; S63-Y123 WeakPolarHBondContact CB-O 3.43Å |
| 64 | L | 90.4 | Very high | 85.9 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.9 | -39 | 173.7 | -178.5 | 64 | 0 | 0 | 0 | 111.3 | G66 A67 M68 Y122 Y123 L124 | L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.15Å; L64-A67 WeakPolarHBondContact O-CB 3.31Å; L64-A67 PolarHBondContact O-N 3.34Å; L64-A67 VanDerWaalsContact O-N 3.16Å; L64-M68 HydrophobicContact CD1-CE 4.13Å; L64-M68 HydrophobicContact CD2-CE 3.77Å; L64-M68 HydrophobicContact CG-CE 3.72Å; L64-M68 HydrophobicContact CG-SD 4.29Å; L64-M68 WeakPolarHBondContact O-CG 3.37Å; L64-M68 PolarHBondContact O-N 3.45Å; L64-Y122 HydrophobicContact CD2-CD1 4.26Å; L64-Y122 HydrophobicContact CD2-CE1 3.79Å; L64-Y122 WeakPolarHBondContact CD2-O 3.19Å; L64-Y123 WeakPolarHBondContact CB-O 3.39Å; L64-Y123 PolarHBondContact N-O 3.15Å; L64-L124 HydrophobicContact CB-CD1 4.38Å; L64-L124 HydrophobicContact CB-CG 4.45Å |
| 65 | L | 91.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 174.8 | -66.9 | 172.8 | 0 | 0 | 0 | 111 | L58 S63 A67 M68 F69 I85 F92 I95 L99 Y123 | L58-L65 HydrophobicContact CD2-CB 4.38Å; L58-L65 HydrophobicContact CD2-CD1 4.18Å; L58-L65 CarbonylContact O-C 3.57Å; S63-L65 PolarHBondContact O-N 3.29Å; L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 2.68Å; L65-M68 HydrophobicContact CD2-SD 4.3Å; L65-M68 PolarHBondContact O-N 3.08Å; L65-F69 HydrophobicContact CD2-CE2 4.37Å; L65-F69 VanDerWaalsContact O-CD2 3.31Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 2.78Å; L65-I85 HydrophobicContact CD2-CD1 3.97Å; L65-F92 HydrophobicContact CD1-CE2 4.11Å; L65-F92 HydrophobicContact CD1-CZ 4.2Å; L65-F92 HydrophobicContact CD2-CE2 4.49Å; L65-F92 HydrophobicContact CD2-CZ 4.47Å; L65-I95 HydrophobicContact CD1-CG2 4.11Å; L65-L99 HydrophobicContact CD1-CD1 3.89Å; L65-Y123 HydrophobicContact CD1-CD1 4.03Å; L65-Y123 HydrophobicContact CD1-CE1 4.46Å; L65-Y123 HydrophobicContact CD1-CG 4.29Å; L65-Y123 HydrophobicContact CD2-CD1 3.87Å; L65-Y123 HydrophobicContact CD2-CE1 3.89Å; L65-Y123 HydrophobicContact CG-CD1 3.69Å; L65-Y123 HydrophobicContact CG-CE1 4.21Å; L65-Y123 HydrophobicContact CG-CG 4.33Å |
| 66 | G | 88.2 | Confident | 85.6 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -35.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | L58 S63 L64 G70 | L58-G66 WeakPolarHBondContact O-CA 3.44Å; L58-G66 PolarHBondContact O-N 2.74Å; L58-G66 VanDerWaalsContact O-N 3.13Å; S63-G66 WeakPolarHBondContact O-CA 3.17Å; S63-G66 PolarHBondContact O-N 2.56Å; S63-G66 PolarHBondContact OG-N 2.85Å; S63-G66 VanDerWaalsContact OG-N 3.13Å; L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.15Å; G66-G70 VanDerWaalsContact O-CA 3.28Å; G66-G70 WeakPolarHBondContact O-CA 3.34Å; G66-G70 PolarHBondContact O-N 3.39Å |
| 67 | A | 87.8 | Confident | 85.5 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.4 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S63 L64 L65 G71 K72 T73 | S63-A67 PolarHBondContact O-N 3.36Å; L64-A67 WeakPolarHBondContact O-CB 3.31Å; L64-A67 PolarHBondContact O-N 3.34Å; L64-A67 VanDerWaalsContact O-N 3.16Å; L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 2.68Å; A67-G71 PolarHBondContact O-N 2.99Å; A67-K72 HydrophobicContact CB-CB 4.3Å; A67-K72 PolarHBondContact O-N 2.89Å; A67-T73 PolarHBondContact O-N 2.97Å |
| 68 | M | 87.6 | Confident | 85.4 | Confident | 22 Ų | 22 | 56 Ų | 56 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 175.9 | -74.1 | 174.6 | 173.8 | 0 | 0 | 111.7 | L64 L65 V75 | L64-M68 HydrophobicContact CD1-CE 4.13Å; L64-M68 HydrophobicContact CD2-CE 3.77Å; L64-M68 HydrophobicContact CG-CE 3.72Å; L64-M68 HydrophobicContact CG-SD 4.29Å; L64-M68 WeakPolarHBondContact O-CG 3.37Å; L64-M68 PolarHBondContact O-N 3.45Å; L65-M68 HydrophobicContact CD2-SD 4.3Å; L65-M68 PolarHBondContact O-N 3.08Å; M68-V75 HydrophobicContact CB-CG1 3.66Å; M68-V75 HydrophobicContact CG-CG1 3.85Å |
| 69 | F | 86.4 | Confident | 85.2 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 4% | 0.039 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -89.6 | -11.7 | -175.5 | -71.7 | -81.4 | 0 | 0 | 0 | 113.7 | A42 L44 L55 L58 T59 L65 G71 V83 | A42-F69 HydrophobicContact CB-CD1 4.03Å; A42-F69 HydrophobicContact CB-CE1 3.64Å; A42-F69 HydrophobicContact CB-CZ 4.36Å; L44-F69 HydrophobicContact CD2-CE2 3.58Å; L44-F69 HydrophobicContact CD2-CZ 3.49Å; L44-F69 VanDerWaalsContact CD2-CZ 3.49Å; L44-F69 HydrophobicContact CG-CE2 4.41Å; L44-F69 HydrophobicContact CG-CZ 3.82Å; L55-F69 HydrophobicContact CD1-CB 3.76Å; L55-F69 HydrophobicContact CD1-CD1 3.68Å; L55-F69 HydrophobicContact CD1-CG 4.07Å; L58-F69 HydrophobicContact CB-CB 4.23Å; L58-F69 HydrophobicContact CB-CD2 4.07Å; L58-F69 HydrophobicContact CB-CG 4.2Å; L58-F69 HydrophobicContact CD1-CD1 3.91Å; L58-F69 HydrophobicContact CD1-CD2 3.65Å; L58-F69 HydrophobicContact CD1-CE1 3.99Å; L58-F69 HydrophobicContact CD1-CE2 3.76Å; L58-F69 HydrophobicContact CD1-CG 3.74Å; L58-F69 HydrophobicContact CD1-CZ 3.92Å; L58-F69 HydrophobicContact CG-CD2 4.32Å; T59-F69 HydrophobicContact CG2-CB 4.24Å; L65-F69 HydrophobicContact CD2-CE2 4.37Å; L65-F69 VanDerWaalsContact O-CD2 3.31Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 2.78Å; F69-G71 VanDerWaalsContact C-N 3.33Å; F69-V83 HydrophobicContact CE1-CB 4.4Å; F69-V83 HydrophobicContact CE1-CG2 3.82Å; F69-V83 HydrophobicContact CZ-CB 3.96Å; F69-V83 HydrophobicContact CZ-CG1 3.9Å; F69-V83 HydrophobicContact CZ-CG2 3.89Å |
| 70 | G | 79.6 | Confident | 85 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G66 K72 | G66-G70 VanDerWaalsContact O-CA 3.28Å; G66-G70 WeakPolarHBondContact O-CA 3.34Å; G66-G70 PolarHBondContact O-N 3.39Å; G70-K72 VanDerWaalsContact C-N 3.32Å; G70-K72 PolarHBondContact O-N 3.4Å |
| 71 | G | 76.9 | Confident | 84.9 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 16.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A67 F69 | A67-G71 PolarHBondContact O-N 2.99Å; F69-G71 VanDerWaalsContact C-N 3.33Å |
| 72 | K | 73.4 | Confident | 85.2 | Confident | 173 Ų | 173 | 65.5 Ų | 65.5 | 75% | 0.752 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -92.8 | -11.2 | -179.7 | -61.1 | 180 | -178.1 | 177 | 0 | 113 | A67 G70 | A67-K72 HydrophobicContact CB-CB 4.3Å; A67-K72 PolarHBondContact O-N 2.89Å; G70-K72 VanDerWaalsContact C-N 3.32Å; G70-K72 PolarHBondContact O-N 3.4Å |
| 73 | T | 77.6 | Confident | 85.6 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -138.3 | 145.3 | -175 | -52.7 | 0 | 0 | 0 | 0 | 109.8 | A67 | A67-T73 PolarHBondContact O-N 2.97Š|
| 74 | E | 78.9 | Confident | 85.7 | Confident | 136 Ų | 136 | 60.8 Ų | 60.8 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | trans | -70.8 | 138.1 | 174 | -62.5 | -171.4 | 166.5 | 0 | 0 | 110.7 | ||||
| 75 | V | 85.3 | Confident | 85.8 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | trans | -126.5 | 141.5 | -179.4 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | Y31 M68 V83 | Y31-V75 HydrophobicContact CD2-CG2 3.51Å; Y31-V75 HydrophobicContact CE2-CG2 3.88Å; Y31-V75 HydrophobicContact CG-CG2 4.29Å; M68-V75 HydrophobicContact CB-CG1 3.66Å; M68-V75 HydrophobicContact CG-CG1 3.85Å; V75-V83 HydrophobicContact CB-CG1 4.13Å; V75-V83 HydrophobicContact CG1-CG1 4.44Å | ||
| 76 | F | 87.6 | Confident | 86 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 45% | 0.452 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.8 | 173.7 | -65.7 | -79 | 0 | 0 | 0 | 109.5 | V83 L84 | F76-V83 CarbonylContact O-C 3.59Å; F76-V83 WeakPolarHBondContact O-CA 3.5Å; F76-L84 HydrophobicContact CB-CB 4.32Å; F76-L84 PolarHBondContact O-N 3.32Å |
| 77 | T | 88.9 | Confident | 86.3 | Confident | 46 Ų | 46 | 69.6 Ų | 69.6 | 28% | 0.282 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.1 | 180 | -48.6 | 0 | 0 | 0 | 0 | 109.8 | G81 W82 | T77-G81 VanDerWaalsContact CG2-C 3.44Å; T77-W82 CarbonylContact C-O 3.59Å; T77-W82 VanDerWaalsContact CA-O 3.26Å; T77-W82 WeakPolarHBondContact CA-O 3.48Å; T77-W82 WeakPolarHBondContact CG2-O 3.41Å |
| 78 | D | 88.8 | Confident | 86.6 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 40% | 0.401 | 38% | 0.383 | S | S | . | . | trans | -79.2 | 171.1 | 173.9 | -163.5 | 10.7 | 0 | 0 | 0 | 112 | E80 G81 W82 L84 | D78-E80 PolarHBondContact O-N 3.17Å; D78-E80 VanDerWaalsContact O-N 3.1Å; D78-G81 PolarHBondContact O-N 2.98Å; D78-W82 PolarHBondContact N-O 3.25Å; D78-L84 HydrophobicContact CB-CD1 4.42Å; D78-L84 HydrophobicContact CB-CD2 4.32Å | ||
| 79 | K | 86.3 | Confident | 86.9 | Confident | 191 Ų | 191 | 70.6 Ų | 70.6 | 83% | 0.83 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.1 | 178.2 | -61 | 175.5 | -174.6 | 171.9 | 0 | 113.3 | ||
| 80 | E | 83.8 | Confident | 87.3 | Confident | 137 Ų | 137 | 76.2 Ų | 76.2 | 64% | 0.64 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.9 | 179.4 | -67.5 | 178.9 | -174.2 | 0 | 0 | 114 | D78 W82 | D78-E80 PolarHBondContact O-N 3.17Å; D78-E80 VanDerWaalsContact O-N 3.1Å; E80-W82 PolarHBondContact OE2-NE1 3.29Å |
| 81 | G | 85.4 | Confident | 88 | Confident | 39 Ų | 39 | 75 Ų | 75 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | trans | 86.4 | 15.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | T77 D78 | T77-G81 VanDerWaalsContact CG2-C 3.44Å; D78-G81 PolarHBondContact O-N 2.98Å | ||
| 82 | W | 90.3 | Very high | 88.9 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 124.8 | 173.5 | -69 | 98.2 | 0 | 0 | 0 | 111.1 | R43 L44 N45 L50 T77 D78 E80 L84 | R43-W82 HydrophobicContact CB-CD2 3.89Å; R43-W82 HydrophobicContact CB-CE3 3.56Å; R43-W82 HydrophobicContact CB-CH2 4.33Å; R43-W82 HydrophobicContact CB-CZ3 3.8Å; R43-W82 HydrophobicContact CG-CE3 4.44Å; R43-W82 HydrophobicContact CG-CH2 4.4Å; R43-W82 HydrophobicContact CG-CZ3 4.33Å; L44-W82 WeakPolarHBondContact O-CZ3 3.34Å; N45-W82 HydrophobicContact CB-CB 4.34Å; N45-W82 HydrophobicContact CB-CE3 4.47Å; L50-W82 HydrophobicContact CB-CH2 3.83Å; L50-W82 HydrophobicContact CB-CZ3 3.82Å; L50-W82 HydrophobicContact CD1-CH2 4.12Å; L50-W82 HydrophobicContact CD1-CZ2 4.1Å; L50-W82 HydrophobicContact CD2-CD2 4.14Å; L50-W82 HydrophobicContact CD2-CE3 3.89Å; L50-W82 HydrophobicContact CD2-CH2 4.19Å; L50-W82 HydrophobicContact CD2-CZ2 4.38Å; L50-W82 HydrophobicContact CD2-CZ3 3.93Å; L50-W82 HydrophobicContact CG-CH2 4.27Å; L50-W82 HydrophobicContact CG-CZ3 4.33Å; T77-W82 CarbonylContact C-O 3.59Å; T77-W82 VanDerWaalsContact CA-O 3.26Å; T77-W82 WeakPolarHBondContact CA-O 3.48Å; T77-W82 WeakPolarHBondContact CG2-O 3.41Å; D78-W82 PolarHBondContact N-O 3.25Å; E80-W82 PolarHBondContact OE2-NE1 3.29Å; W82-L84 HydrophobicContact CB-CD2 4.37Å; W82-L84 PolarHBondContact O-N 2.97Å |
| 83 | V | 91.8 | Very high | 89.9 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.4 | 171 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | R43 L44 N45 F69 V75 F76 | R43-V83 PolarHBondContact O-N 2.86Å; L44-V83 CarbonylContact C-O 3.58Å; L44-V83 WeakPolarHBondContact CA-O 3.35Å; N45-V83 PolarHBondContact N-O 3.45Å; F69-V83 HydrophobicContact CE1-CB 4.4Å; F69-V83 HydrophobicContact CE1-CG2 3.82Å; F69-V83 HydrophobicContact CZ-CB 3.96Å; F69-V83 HydrophobicContact CZ-CG1 3.9Å; F69-V83 HydrophobicContact CZ-CG2 3.89Å; V75-V83 HydrophobicContact CB-CG1 4.13Å; V75-V83 HydrophobicContact CG1-CG1 4.44Å; F76-V83 CarbonylContact O-C 3.59Å; F76-V83 WeakPolarHBondContact O-CA 3.5Å |
| 84 | L | 93 | Very high | 90.8 | Very high | 60 Ų | 60 | 66.9 Ų | 66.9 | 31% | 0.314 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.6 | -175.5 | -53.6 | -177.9 | 0 | 0 | 0 | 110.3 | N45 F76 D78 W82 | N45-L84 HydrophobicContact CB-CD2 3.8Å; F76-L84 HydrophobicContact CB-CB 4.32Å; F76-L84 PolarHBondContact O-N 3.32Å; D78-L84 HydrophobicContact CB-CD1 4.42Å; D78-L84 HydrophobicContact CB-CD2 4.32Å; W82-L84 HydrophobicContact CB-CD2 4.37Å; W82-L84 PolarHBondContact O-N 2.97Å |
| 85 | I | 93.9 | Very high | 91.6 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.046 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.2 | 175.1 | -59.4 | 176.6 | 0 | 0 | 0 | 108.3 | L44 N45 V46 G47 L65 R87 Y122 Y123 | L44-I85 HydrophobicContact CD2-CD1 3.96Å; N45-I85 PolarHBondContact O-N 2.96Å; V46-I85 WeakPolarHBondContact CA-O 3.47Å; V46-I85 HydrophobicContact CG1-CB 4.34Å; V46-I85 HydrophobicContact CG1-CG2 4.26Å; V46-I85 HydrophobicContact CG2-CB 4.24Å; V46-I85 HydrophobicContact CG2-CD1 4.16Å; G47-I85 PolarHBondContact N-O 3.33Å; L65-I85 HydrophobicContact CD2-CD1 3.97Å; I85-R87 HydrophobicContact CG2-CB 3.89Å; I85-R87 HydrophobicContact CG2-CG 3.71Å; I85-R87 PolarHBondContact O-N 3.43Å; I85-Y122 HydrophobicContact CG2-CE1 4.5Å; I85-Y123 HydrophobicContact CD1-CE1 4.47Å; I85-Y123 HydrophobicContact CG2-CE1 4.31Å |
| 86 | D | 94.5 | Very high | 92 | Very high | 155 Ų | 155 | 59.9 Ų | 59.9 | 83% | 0.829 | 31% | 0.305 | S | S | * | . | trans | -81.3 | 64.5 | 178.3 | -171.1 | 23.2 | 0 | 0 | 0 | 111.3 | ||||
| 87 | R | 94.9 | Very high | 92.3 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -141.4 | 163.8 | 178 | -64.7 | -59 | -60.6 | 173.1 | 2.3 | 110.5 | V46 G47 I85 G89 E119 Y122 | V46-R87 CarbonylContact C-O 3.34Å; V46-R87 HydrophobicContact CG1-CB 4.15Å; G47-R87 WeakPolarHBondContact CA-O 3.42Å; G47-R87 PolarHBondContact N-O 2.93Å; I85-R87 HydrophobicContact CG2-CB 3.89Å; I85-R87 HydrophobicContact CG2-CG 3.71Å; I85-R87 PolarHBondContact O-N 3.43Å; R87-G89 PolarHBondContact O-N 2.96Å; R87-E119 IonicContact CZ-OE1 3.15Å; R87-E119 IonicContact CZ-OE2 3.34Å; R87-E119 IonicContact NE-OE1 3.11Å; R87-E119 IonicContact NE-OE2 3.55Å; R87-E119 PolarHBondContact NE-OE2 2.96Å; R87-E119 IonicContact NH2-OE1 2.74Å; R87-E119 PolarHBondContact NH2-OE1 2.84Å; R87-E119 IonicContact NH2-OE2 3.6Å; R87-E119 PolarHBondContact NH2-OE2 3.03Å; R87-Y122 HydrophobicContact CG-CD1 3.7Å; R87-Y122 HydrophobicContact CG-CD2 4.47Å; R87-Y122 HydrophobicContact CG-CE1 3.38Å; R87-Y122 HydrophobicContact CG-CE2 4.2Å; R87-Y122 HydrophobicContact CG-CG 4.23Å |
| 88 | S | 94 | Very high | 92.6 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | trans | -71.7 | 121 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | K90 | S88-K90 PolarHBondContact O-N 2.91Å; S88-K90 WeakPolarHBondContact OG-CB 3.3Å; S88-K90 PolarHBondContact OG-N 3.4Å | ||
| 89 | G | 93.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -72.9 | -6.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | V46 R87 H91 F92 | V46-G89 WeakPolarHBondContact O-CA 3.48Å; V46-G89 PolarHBondContact O-N 3.06Å; R87-G89 PolarHBondContact O-N 2.96Å; G89-H91 VanDerWaalsContact C-N 3.31Å; G89-H91 PolarHBondContact O-N 3.46Å; G89-F92 WeakPolarHBondContact O-CB 3.33Å; G89-F92 PolarHBondContact O-N 3.31Å; G89-F92 VanDerWaalsContact O-N 3.12Å |
| 90 | K | 94.6 | Very high | 93.1 | Very high | 126 Ų | 126 | 48.5 Ų | 48.5 | 55% | 0.548 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -51.6 | -44.9 | -172.1 | -178 | -177.8 | 178.8 | -174.3 | 0 | 113.4 | S88 E115 | S88-K90 PolarHBondContact O-N 2.91Å; S88-K90 WeakPolarHBondContact OG-CB 3.3Å; S88-K90 PolarHBondContact OG-N 3.4Å; K90-E115 WeakPolarHBondContact CE-OE2 3.28Å; K90-E115 IonicContact NZ-OE1 2.82Å; K90-E115 PolarHBondContact NZ-OE1 3.21Å; K90-E115 IonicContact NZ-OE2 3.7Å; K90-E115 PolarHBondContact NZ-OE2 3.32Å |
| 91 | H | 95.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -107 | 7.7 | -177.1 | -65.2 | -63.7 | 0 | 0 | 0 | 113.4 | G89 N93 S94 I95 E115 L116 | G89-H91 VanDerWaalsContact C-N 3.31Å; G89-H91 PolarHBondContact O-N 3.46Å; H91-N93 PolarHBondContact O-N 3.09Å; H91-S94 WeakPolarHBondContact O-CB 3.14Å; H91-S94 PolarHBondContact O-N 2.76Å; H91-I95 PolarHBondContact O-N 3.42Å; H91-E115 IonicContact CD2-OE2 2.94Å; H91-E115 IonicContact CE1-OE2 3.58Å; H91-E115 VanDerWaalsContact NE2-CB 3.34Å; H91-E115 WeakPolarHBondContact NE2-CB 3.35Å; H91-E115 IonicContact NE2-OE2 3.41Å; H91-E115 PolarHBondContact NE2-OE2 3.08Å; H91-L116 HydrophobicContact CB-CB 4.35Å; H91-L116 HydrophobicContact CB-CD1 3.9Å |
| 92 | F | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.7 | -25.6 | -174.3 | -167.2 | -102.9 | 0 | 0 | 0 | 112.6 | L44 V46 F51 L65 G89 S94 I95 L96 Y123 | L44-F92 HydrophobicContact CD2-CE1 4.46Å; L44-F92 HydrophobicContact CD2-CZ 4.08Å; V46-F92 HydrophobicContact CB-CG 4.48Å; V46-F92 HydrophobicContact CG1-CD2 4.17Å; V46-F92 HydrophobicContact CG1-CG 4.37Å; V46-F92 HydrophobicContact CG2-CD1 3.97Å; V46-F92 HydrophobicContact CG2-CD2 4.11Å; V46-F92 HydrophobicContact CG2-CE1 3.9Å; V46-F92 HydrophobicContact CG2-CE2 4.06Å; V46-F92 HydrophobicContact CG2-CG 4.06Å; V46-F92 HydrophobicContact CG2-CZ 3.96Å; F51-F92 HydrophobicContact CB-CD1 4.31Å; F51-F92 HydrophobicContact CB-CE1 4.18Å; F51-F92 AromaticContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CE1 4.4Å; F51-F92 AromaticContact CD2-CD1 3.47Å; F51-F92 HydrophobicContact CD2-CD1 3.47Å; F51-F92 VanDerWaalsContact CD2-CD1 3.47Å; F51-F92 AromaticContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CG 4.32Å; F51-F92 HydrophobicContact CE1-CB 4.24Å; F51-F92 AromaticContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE2-CB 3.85Å; F51-F92 AromaticContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CE1 4.49Å; F51-F92 HydrophobicContact CE2-CG 4.02Å; F51-F92 AromaticContact CG-CD1 3.56Å; F51-F92 HydrophobicContact CG-CD1 3.56Å; F51-F92 AromaticContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CZ-CB 3.65Å; F51-F92 AromaticContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CG 4.16Å; L65-F92 HydrophobicContact CD1-CE2 4.11Å; L65-F92 HydrophobicContact CD1-CZ 4.2Å; L65-F92 HydrophobicContact CD2-CE2 4.49Å; L65-F92 HydrophobicContact CD2-CZ 4.47Å; G89-F92 WeakPolarHBondContact O-CB 3.33Å; G89-F92 PolarHBondContact O-N 3.31Å; G89-F92 VanDerWaalsContact O-N 3.12Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.74Å; F92-I95 HydrophobicContact CD2-CB 4.38Å; F92-I95 HydrophobicContact CD2-CG1 4.5Å; F92-I95 HydrophobicContact CE2-CG2 4.49Å; F92-I95 WeakPolarHBondContact O-CB 3.43Å; F92-I95 PolarHBondContact O-N 2.98Å; F92-L96 HydrophobicContact CD1-CD1 4Å; F92-L96 HydrophobicContact CD1-CG 4.06Å; F92-L96 HydrophobicContact CE1-CD1 3.87Å; F92-L96 HydrophobicContact CE1-CD2 3.92Å; F92-L96 HydrophobicContact CE1-CG 3.83Å; F92-L96 HydrophobicContact CZ-CD2 4.24Å; F92-L96 HydrophobicContact CZ-CG 4.48Å; F92-L96 WeakPolarHBondContact O-CG 3.01Å; F92-L96 PolarHBondContact O-N 3.1Å; F92-Y123 AromaticContact CD2-CE2 3.86Å; F92-Y123 HydrophobicContact CD2-CE2 3.86Å; F92-Y123 AromaticContact CD2-CZ 3.79Å; F92-Y123 WeakPolarHBondContact CD2-OH 3.39Å; F92-Y123 HydrophobicContact CE2-CE1 4.09Å; F92-Y123 AromaticContact CE2-CE2 3.98Å; F92-Y123 HydrophobicContact CE2-CE2 3.98Å; F92-Y123 AromaticContact CE2-CZ 3.61Å |
| 93 | N | 94.6 | Very high | 93.3 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 172.1 | -164.3 | 44.4 | 0 | 0 | 0 | 112.4 | H91 I95 L96 N97 | H91-N93 PolarHBondContact O-N 3.09Å; N93-I95 VanDerWaalsContact C-N 3.33Å; N93-L96 PolarHBondContact O-N 2.82Å; N93-N97 WeakPolarHBondContact O-CB 3.44Å; N93-N97 VanDerWaalsContact O-CG 3.24Å; N93-N97 PolarHBondContact O-N 3.07Å; N93-N97 PolarHBondContact O-ND2 3.11Å |
| 94 | S | 95.3 | Very high | 93.3 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.8 | -36 | 174.8 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | H91 F92 Y98 | H91-S94 WeakPolarHBondContact O-CB 3.14Å; H91-S94 PolarHBondContact O-N 2.76Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.74Å; S94-Y98 WeakPolarHBondContact O-CB 3.18Å; S94-Y98 PolarHBondContact O-N 2.75Å |
| 95 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -50 | 171.9 | -59 | -61.8 | 0 | 0 | 0 | 110.4 | L65 H91 F92 N93 N97 Y98 L99 L116 E119 A120 Y123 I125 L128 | L65-I95 HydrophobicContact CD1-CG2 4.11Å; H91-I95 PolarHBondContact O-N 3.42Å; F92-I95 HydrophobicContact CD2-CB 4.38Å; F92-I95 HydrophobicContact CD2-CG1 4.5Å; F92-I95 HydrophobicContact CE2-CG2 4.49Å; F92-I95 WeakPolarHBondContact O-CB 3.43Å; F92-I95 PolarHBondContact O-N 2.98Å; N93-I95 VanDerWaalsContact C-N 3.33Å; I95-N97 PolarHBondContact O-N 2.96Å; I95-Y98 PolarHBondContact O-N 2.64Å; I95-L99 HydrophobicContact CG2-CD1 4.26Å; I95-L99 WeakPolarHBondContact O-CG 3.36Å; I95-L99 PolarHBondContact O-N 3.07Å; I95-L116 HydrophobicContact CD1-CD1 3.8Å; I95-L116 HydrophobicContact CG1-CD1 4.34Å; I95-E119 HydrophobicContact CD1-CB 4.4Å; I95-A120 HydrophobicContact CD1-CB 4.44Å; I95-Y123 HydrophobicContact CD1-CD2 4.22Å; I95-Y123 HydrophobicContact CG1-CD2 4.15Å; I95-Y123 HydrophobicContact CG1-CE2 4.32Å; I95-Y123 HydrophobicContact CG2-CD2 4.23Å; I95-I125 HydrophobicContact CD1-CD1 4.4Å; I95-I125 HydrophobicContact CG2-CD1 3.52Å; I95-L128 HydrophobicContact CD1-CD2 3.54Å |
| 96 | L | 94.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 179.6 | -69.1 | 179 | 0 | 0 | 0 | 112.5 | F51 T53 L58 F92 N93 Y98 L99 R100 | F51-L96 HydrophobicContact CB-CD1 4.46Å; F51-L96 HydrophobicContact CD1-CD1 3.99Å; F51-L96 HydrophobicContact CG-CD1 4.48Å; T53-L96 HydrophobicContact CG2-CD2 4.06Å; L58-L96 HydrophobicContact CD2-CD2 3.98Å; F92-L96 HydrophobicContact CD1-CD1 4Å; F92-L96 HydrophobicContact CD1-CG 4.06Å; F92-L96 HydrophobicContact CE1-CD1 3.87Å; F92-L96 HydrophobicContact CE1-CD2 3.92Å; F92-L96 HydrophobicContact CE1-CG 3.83Å; F92-L96 HydrophobicContact CZ-CD2 4.24Å; F92-L96 HydrophobicContact CZ-CG 4.48Å; F92-L96 WeakPolarHBondContact O-CG 3.01Å; F92-L96 PolarHBondContact O-N 3.1Å; N93-L96 PolarHBondContact O-N 2.82Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; L96-L99 PolarHBondContact O-N 2.65Å; L96-R100 WeakPolarHBondContact O-CG 3.25Å; L96-R100 PolarHBondContact O-N 3.24Å; L96-R100 VanDerWaalsContact O-N 3.08Å |
| 97 | N | 94.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.9 | -70 | -14.7 | 0 | 0 | 0 | 111.3 | N93 I95 L99 R100 D101 V104 | N93-N97 WeakPolarHBondContact O-CB 3.44Å; N93-N97 VanDerWaalsContact O-CG 3.24Å; N93-N97 PolarHBondContact O-N 3.07Å; N93-N97 PolarHBondContact O-ND2 3.11Å; I95-N97 PolarHBondContact O-N 2.96Å; N97-L99 VanDerWaalsContact C-N 3.32Å; N97-L99 PolarHBondContact O-N 3.42Å; N97-R100 PolarHBondContact O-N 3.2Å; N97-R100 VanDerWaalsContact O-N 3.12Å; N97-R100 PolarHBondContact OD1-NH1 3.48Å; N97-D101 PolarHBondContact O-N 3.17Å; N97-V104 HydrophobicContact CB-CG2 4.08Å |
| 98 | Y | 95 | Very high | 92.2 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | 174.4 | -173.9 | -94.1 | 0 | 0 | 0 | 112.3 | S94 I95 L96 R100 G102 V104 I125 G127 L128 L131 | S94-Y98 WeakPolarHBondContact O-CB 3.18Å; S94-Y98 PolarHBondContact O-N 2.75Å; I95-Y98 PolarHBondContact O-N 2.64Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; Y98-R100 VanDerWaalsContact C-N 3.25Å; Y98-R100 PolarHBondContact O-N 3.03Å; Y98-G102 WeakPolarHBondContact CE2-O 3.41Å; Y98-G102 VanDerWaalsContact O-CA 3.23Å; Y98-G102 WeakPolarHBondContact O-CA 3.25Å; Y98-G102 PolarHBondContact O-N 3.06Å; Y98-V104 HydrophobicContact CD2-CB 4.27Å; Y98-V104 HydrophobicContact CD2-CG1 3.96Å; Y98-I125 HydrophobicContact CD1-CG2 3.46Å; Y98-I125 VanDerWaalsContact CD1-CG2 3.46Å; Y98-I125 HydrophobicContact CE1-CG2 3.38Å; Y98-G127 VanDerWaalsContact OH-C 3.24Å; Y98-G127 VanDerWaalsContact OH-CA 3.25Å; Y98-G127 WeakPolarHBondContact OH-CA 2.99Å; Y98-L128 HydrophobicContact CD1-CB 3.95Å; Y98-L128 HydrophobicContact CD1-CD2 4.48Å; Y98-L128 HydrophobicContact CD2-CB 4.22Å; Y98-L128 HydrophobicContact CD2-CD1 3.92Å; Y98-L128 HydrophobicContact CE1-CB 3.97Å; Y98-L128 HydrophobicContact CE2-CB 4.25Å; Y98-L128 HydrophobicContact CE2-CD1 4.42Å; Y98-L128 HydrophobicContact CG-CB 4.06Å; Y98-L128 HydrophobicContact CG-CD1 4.17Å; Y98-L128 HydrophobicContact CG-CD2 4.2Å; Y98-L128 HydrophobicContact CG-CG 4.38Å; Y98-L131 HydrophobicContact CD2-CD1 4.18Å; Y98-L131 HydrophobicContact CE2-CD1 3.54Å |
| 99 | L | 92.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -21.8 | 177.8 | -69.5 | 176.4 | 0 | 0 | 0 | 114 | V57 S60 Q61 L65 I95 L96 N97 I125 | V57-L99 HydrophobicContact CG1-CB 3.84Å; S60-L99 PolarHBondContact OG-O 3.31Å; Q61-L99 HydrophobicContact CB-CD2 4.35Å; L65-L99 HydrophobicContact CD1-CD1 3.89Å; I95-L99 HydrophobicContact CG2-CD1 4.26Å; I95-L99 WeakPolarHBondContact O-CG 3.36Å; I95-L99 PolarHBondContact O-N 3.07Å; L96-L99 PolarHBondContact O-N 2.65Å; N97-L99 VanDerWaalsContact C-N 3.32Å; N97-L99 PolarHBondContact O-N 3.42Å; L99-I125 HydrophobicContact CD1-CD1 4.37Å; L99-I125 HydrophobicContact CD2-CD1 4.05Å; L99-I125 HydrophobicContact CG-CD1 4.22Å |
| 100 | R | 92.6 | Very high | 91.4 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -81.4 | -51.4 | 175.3 | -70.9 | 170.3 | -171.5 | 146.6 | 1.1 | 111.5 | V57 L96 N97 Y98 | V57-R100 HydrophobicContact CB-CG 4.36Å; V57-R100 HydrophobicContact CG1-CG 3.6Å; V57-R100 HydrophobicContact CG2-CG 3.76Å; L96-R100 WeakPolarHBondContact O-CG 3.25Å; L96-R100 PolarHBondContact O-N 3.24Å; L96-R100 VanDerWaalsContact O-N 3.08Å; N97-R100 PolarHBondContact O-N 3.2Å; N97-R100 VanDerWaalsContact O-N 3.12Å; N97-R100 PolarHBondContact OD1-NH1 3.48Å; Y98-R100 VanDerWaalsContact C-N 3.25Å; Y98-R100 PolarHBondContact O-N 3.03Å |
| 101 | D | 90.6 | Very high | 91.3 | Very high | 114 Ų | 114 | 63.2 Ų | 63.2 | 61% | 0.61 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -105.5 | -8.6 | -164.2 | -55.2 | -38 | 0 | 0 | 0 | 112.9 | N97 T103 | N97-D101 PolarHBondContact O-N 3.17Å; D101-T103 PolarHBondContact O-N 3.19Å; D101-T103 VanDerWaalsContact O-N 3.09Å |
| 102 | G | 85.9 | Confident | 91.1 | Very high | 29 Ų | 29 | 63.2 Ų | 63.2 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 69.5 | -2.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y98 | Y98-G102 WeakPolarHBondContact CE2-O 3.41Å; Y98-G102 VanDerWaalsContact O-CA 3.23Å; Y98-G102 WeakPolarHBondContact O-CA 3.25Å; Y98-G102 PolarHBondContact O-N 3.06Å |
| 103 | T | 87.7 | Confident | 91 | Very high | 95 Ų | 95 | 63.5 Ų | 63.5 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | trans | -140.8 | 158.1 | 178 | 63.7 | 0 | 0 | 0 | 0 | 109.4 | D101 | D101-T103 PolarHBondContact O-N 3.19Å; D101-T103 VanDerWaalsContact O-N 3.09Å | ||
| 104 | V | 90.1 | Very high | 91 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 17% | 0.17 | 34% | 0.336 | C | S | . | . | trans | -150.8 | 141.2 | 176.6 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | N97 Y98 L106 L128 | N97-V104 HydrophobicContact CB-CG2 4.08Å; Y98-V104 HydrophobicContact CD2-CB 4.27Å; Y98-V104 HydrophobicContact CD2-CG1 3.96Å; V104-L106 HydrophobicContact CG1-CD2 4.13Å; V104-L106 PolarHBondContact O-N 2.88Å; V104-L128 HydrophobicContact CG1-CD1 3.51Å | ||
| 105 | T | 89.3 | Confident | 91 | Very high | 134 Ų | 134 | 65 Ų | 65 | 82% | 0.822 | 34% | 0.341 | S | S | * | . | trans | -70.4 | 114.8 | 167 | -47.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 106 | L | 90.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 65 Ų | 65 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 147.3 | -179.5 | -65.7 | 177.2 | 0 | 0 | 0 | 111.3 | V104 V113 L116 L128 T135 | V104-L106 HydrophobicContact CG1-CD2 4.13Å; V104-L106 PolarHBondContact O-N 2.88Å; L106-V113 HydrophobicContact CB-CG2 4.45Å; L106-L116 HydrophobicContact CD2-CD2 3.73Å; L106-L128 HydrophobicContact CD2-CD1 4.25Å; L106-T135 HydrophobicContact CD1-CG2 3.93Å; L106-T135 WeakPolarHBondContact CD1-OG1 3.43Å |
| 107 | P | 89.6 | Confident | 91.1 | Very high | 29 Ų | 29 | 65.3 Ų | 65.3 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 148.1 | 178.1 | 27.5 | -35.2 | 0 | 0 | 0 | 111.1 | A112 V113 L116 | P107-A112 HydrophobicContact CB-CB 3.76Å; P107-A112 HydrophobicContact CG-CB 3.89Å; P107-V113 HydrophobicContact CG-CG2 4.34Å; P107-V113 WeakPolarHBondContact O-CG2 3.34Å; P107-L116 HydrophobicContact CG-CB 4.42Å; P107-L116 HydrophobicContact CG-CD2 4.17Å |
| 108 | K | 84.4 | Confident | 91.2 | Very high | 205 Ų | 205 | 66.3 Ų | 66.3 | 89% | 0.891 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.1 | 132.7 | 179.2 | -64 | -176.3 | -178.8 | -178.7 | 0 | 110.3 | ||
| 109 | G | 84.3 | Confident | 91.3 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 98.1 | 140.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q111 A112 V113 | G109-Q111 VanDerWaalsContact C-N 3.32Å; G109-Q111 PolarHBondContact O-N 3.18Å; G109-A112 PolarHBondContact O-N 2.98Å; G109-V113 PolarHBondContact O-N 2.9Å |
| 110 | R | 87.1 | Confident | 91.5 | Very high | 151 Ų | 151 | 66 Ų | 66 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.5 | -41.6 | -174.4 | -173.3 | 177.7 | 177.6 | 81.1 | -0.1 | 112.9 | V113 Q114 L136 | R110-V113 PolarHBondContact O-N 3.35Å; R110-Q114 PolarHBondContact O-N 2.84Å; R110-L136 HydrophobicContact CG-CD2 3.75Å; R110-L136 PolarHBondContact NH1-O 2.77Å |
| 111 | Q | 91.3 | Very high | 91.6 | Very high | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.692 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 179.1 | -177.5 | 179.5 | -8.2 | 0 | 0 | 111.8 | G109 V113 Q114 E115 | G109-Q111 VanDerWaalsContact C-N 3.32Å; G109-Q111 PolarHBondContact O-N 3.18Å; Q111-V113 VanDerWaalsContact C-N 3.34Å; Q111-V113 PolarHBondContact O-N 3.22Å; Q111-Q114 WeakPolarHBondContact O-CB 3.32Å; Q111-Q114 PolarHBondContact O-N 3.38Å; Q111-E115 PolarHBondContact NE2-OE1 2.88Å; Q111-E115 WeakPolarHBondContact O-CG 3.42Å; Q111-E115 PolarHBondContact O-N 2.93Å |
| 112 | A | 92.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -37.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | P107 G109 E115 L116 | P107-A112 HydrophobicContact CB-CB 3.76Å; P107-A112 HydrophobicContact CG-CB 3.89Å; G109-A112 PolarHBondContact O-N 2.98Å; A112-E115 PolarHBondContact O-N 2.64Å; A112-L116 PolarHBondContact O-N 2.82Å |
| 113 | V | 94 | Very high | 92.3 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | L106 P107 G109 R110 Q111 L116 L117 C132 L136 | L106-V113 HydrophobicContact CB-CG2 4.45Å; P107-V113 HydrophobicContact CG-CG2 4.34Å; P107-V113 WeakPolarHBondContact O-CG2 3.34Å; G109-V113 PolarHBondContact O-N 2.9Å; R110-V113 PolarHBondContact O-N 3.35Å; Q111-V113 VanDerWaalsContact C-N 3.34Å; Q111-V113 PolarHBondContact O-N 3.22Å; V113-L116 PolarHBondContact O-N 2.99Å; V113-L117 WeakPolarHBondContact O-CB 3.43Å; V113-L117 PolarHBondContact O-N 3.22Å; V113-C132 HydrophobicContact CG1-CB 4.07Å; V113-L136 HydrophobicContact CB-CD2 4.15Å; V113-L136 HydrophobicContact CG1-CD1 4.16Å; V113-L136 HydrophobicContact CG1-CD2 3.97Å; V113-L136 HydrophobicContact CG1-CG 3.79Å |
| 114 | Q | 94.2 | Very high | 92.7 | Very high | 89 Ų | 89 | 64.1 Ų | 64.1 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.5 | -171.6 | 68.4 | 23.8 | 0 | 0 | 111.9 | R110 Q111 L117 V118 L136 | R110-Q114 PolarHBondContact O-N 2.84Å; Q111-Q114 WeakPolarHBondContact O-CB 3.32Å; Q111-Q114 PolarHBondContact O-N 3.38Å; Q114-L117 WeakPolarHBondContact O-CB 3.44Å; Q114-L117 PolarHBondContact O-N 2.78Å; Q114-V118 WeakPolarHBondContact O-CG2 3.43Å; Q114-V118 PolarHBondContact O-N 2.84Å; Q114-V118 VanDerWaalsContact O-N 3.16Å; Q114-L136 VanDerWaalsContact OE1-CD1 3.24Å |
| 115 | E | 95.4 | Very high | 92.9 | Very high | 52 Ų | 52 | 63 Ų | 63 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175 | -70.7 | 170.4 | -172.7 | 0 | 0 | 111.2 | K90 H91 Q111 A112 L117 V118 E119 | K90-E115 WeakPolarHBondContact CE-OE2 3.28Å; K90-E115 IonicContact NZ-OE1 2.82Å; K90-E115 PolarHBondContact NZ-OE1 3.21Å; K90-E115 IonicContact NZ-OE2 3.7Å; K90-E115 PolarHBondContact NZ-OE2 3.32Å; H91-E115 IonicContact CD2-OE2 2.94Å; H91-E115 IonicContact CE1-OE2 3.58Å; H91-E115 VanDerWaalsContact NE2-CB 3.34Å; H91-E115 WeakPolarHBondContact NE2-CB 3.35Å; H91-E115 IonicContact NE2-OE2 3.41Å; H91-E115 PolarHBondContact NE2-OE2 3.08Å; Q111-E115 PolarHBondContact NE2-OE1 2.88Å; Q111-E115 WeakPolarHBondContact O-CG 3.42Å; Q111-E115 PolarHBondContact O-N 2.93Å; A112-E115 PolarHBondContact O-N 2.64Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.92Å; E115-V118 PolarHBondContact O-N 3.43Å; E115-E119 PolarHBondContact O-N 3.29Å |
| 116 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 175.2 | 175.9 | 61.7 | 0 | 0 | 0 | 112.2 | H91 I95 L106 P107 A112 V113 V118 E119 A120 L128 | H91-L116 HydrophobicContact CB-CB 4.35Å; H91-L116 HydrophobicContact CB-CD1 3.9Å; I95-L116 HydrophobicContact CD1-CD1 3.8Å; I95-L116 HydrophobicContact CG1-CD1 4.34Å; L106-L116 HydrophobicContact CD2-CD2 3.73Å; P107-L116 HydrophobicContact CG-CB 4.42Å; P107-L116 HydrophobicContact CG-CD2 4.17Å; A112-L116 PolarHBondContact O-N 2.82Å; V113-L116 PolarHBondContact O-N 2.99Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 PolarHBondContact O-N 3.35Å; L116-E119 PolarHBondContact O-N 3.11Å; L116-A120 WeakPolarHBondContact O-CB 2.77Å; L116-A120 PolarHBondContact O-N 2.87Å; L116-L128 HydrophobicContact CD1-CD2 4.29Å |
| 117 | L | 96.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 176.6 | 173.9 | 62.5 | 0 | 0 | 0 | 111.9 | V113 Q114 E115 A120 K121 V129 C132 Q133 L136 | V113-L117 WeakPolarHBondContact O-CB 3.43Å; V113-L117 PolarHBondContact O-N 3.22Å; Q114-L117 WeakPolarHBondContact O-CB 3.44Å; Q114-L117 PolarHBondContact O-N 2.78Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.92Å; L117-A120 PolarHBondContact O-N 2.86Å; L117-K121 HydrophobicContact CD1-CD 4.43Å; L117-K121 HydrophobicContact CD1-CG 4.33Å; L117-K121 HydrophobicContact CG-CD 4.49Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.49Å; L117-V129 HydrophobicContact CD1-CB 4.33Å; L117-V129 HydrophobicContact CD1-CG1 3.92Å; L117-V129 HydrophobicContact CD1-CG2 4.44Å; L117-C132 HydrophobicContact CB-CB 3.93Å; L117-C132 HydrophobicContact CD1-CB 3.91Å; L117-C132 HydrophobicContact CG-CB 4.41Å; L117-Q133 HydrophobicContact CD1-CG 4.03Å; L117-Q133 HydrophobicContact CD2-CG 4.26Å; L117-L136 HydrophobicContact CD2-CD1 3.69Å |
| 118 | V | 96.8 | Very high | 93.4 | Very high | 69 Ų | 69 | 60 Ų | 60 | 42% | 0.418 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | Q114 E115 L116 K121 Y122 | Q114-V118 WeakPolarHBondContact O-CG2 3.43Å; Q114-V118 PolarHBondContact O-N 2.84Å; Q114-V118 VanDerWaalsContact O-N 3.16Å; E115-V118 PolarHBondContact O-N 3.43Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 PolarHBondContact O-N 3.35Å; V118-K121 PolarHBondContact O-N 2.86Å; V118-Y122 PolarHBondContact O-N 2.77Å; V118-Y122 VanDerWaalsContact O-N 3.08Å |
| 119 | E | 96.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.6 | -40.9 | 177.2 | -60 | -48.8 | 135.8 | 0 | 0 | 112.4 | R87 I95 E115 L116 K121 Y122 Y123 | R87-E119 IonicContact CZ-OE1 3.15Å; R87-E119 IonicContact CZ-OE2 3.34Å; R87-E119 IonicContact NE-OE1 3.11Å; R87-E119 IonicContact NE-OE2 3.55Å; R87-E119 PolarHBondContact NE-OE2 2.96Å; R87-E119 IonicContact NH2-OE1 2.74Å; R87-E119 PolarHBondContact NH2-OE1 2.84Å; R87-E119 IonicContact NH2-OE2 3.6Å; R87-E119 PolarHBondContact NH2-OE2 3.03Å; I95-E119 HydrophobicContact CD1-CB 4.4Å; E115-E119 PolarHBondContact O-N 3.29Å; L116-E119 PolarHBondContact O-N 3.11Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 2.87Å; E119-Y122 WeakPolarHBondContact O-CB 3.39Å; E119-Y122 PolarHBondContact O-N 2.96Å; E119-Y123 HydrophobicContact CB-CD2 4.32Å; E119-Y123 HydrophobicContact CB-CE2 4.14Å; E119-Y123 WeakPolarHBondContact O-CD2 3.49Å; E119-Y123 PolarHBondContact O-N 3.41Å |
| 120 | A | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I95 L116 L117 L124 I125 L128 V129 | I95-A120 HydrophobicContact CD1-CB 4.44Å; L116-A120 WeakPolarHBondContact O-CB 2.77Å; L116-A120 PolarHBondContact O-N 2.87Å; L117-A120 PolarHBondContact O-N 2.86Å; A120-L124 PolarHBondContact O-N 2.89Å; A120-I125 PolarHBondContact O-N 3.08Å; A120-L128 HydrophobicContact CB-CB 4.16Å; A120-L128 HydrophobicContact CB-CD2 3.88Å; A120-L128 HydrophobicContact CB-CG 3.82Å; A120-V129 HydrophobicContact CB-CG2 3.88Å |
| 121 | K | 96.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 47% | 0.47 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 172.2 | -76.3 | 178.3 | 175.3 | -175.8 | 0 | 112.1 | L117 V118 E119 Y123 L124 V129 | L117-K121 HydrophobicContact CD1-CD 4.43Å; L117-K121 HydrophobicContact CD1-CG 4.33Å; L117-K121 HydrophobicContact CG-CD 4.49Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.49Å; V118-K121 PolarHBondContact O-N 2.86Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 2.87Å; K121-Y123 PolarHBondContact O-N 2.84Å; K121-L124 WeakPolarHBondContact O-CD2 3.25Å; K121-L124 PolarHBondContact O-N 3.06Å; K121-L124 VanDerWaalsContact O-N 3.17Å; K121-V129 HydrophobicContact CB-CG2 4.49Å; K121-V129 HydrophobicContact CG-CG1 4.31Å; K121-V129 HydrophobicContact CG-CG2 3.78Å |
| 122 | Y | 95.7 | Very high | 94.5 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 178.4 | 176.6 | -93.6 | 0 | 0 | 0 | 111.9 | L64 I85 R87 V118 E119 L124 | L64-Y122 HydrophobicContact CD2-CD1 4.26Å; L64-Y122 HydrophobicContact CD2-CE1 3.79Å; L64-Y122 WeakPolarHBondContact CD2-O 3.19Å; I85-Y122 HydrophobicContact CG2-CE1 4.5Å; R87-Y122 HydrophobicContact CG-CD1 3.7Å; R87-Y122 HydrophobicContact CG-CD2 4.47Å; R87-Y122 HydrophobicContact CG-CE1 3.38Å; R87-Y122 HydrophobicContact CG-CE2 4.2Å; R87-Y122 HydrophobicContact CG-CG 4.23Å; V118-Y122 PolarHBondContact O-N 2.77Å; V118-Y122 VanDerWaalsContact O-N 3.08Å; E119-Y122 WeakPolarHBondContact O-CB 3.39Å; E119-Y122 PolarHBondContact O-N 2.96Å; Y122-L124 PolarHBondContact O-N 2.88Å |
| 123 | Y | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 0.7 | 178.6 | -62 | -63.9 | 0 | 0 | 0 | 114 | S63 L64 L65 I85 F92 I95 E119 K121 I125 | S63-Y123 WeakPolarHBondContact CB-O 3.43Å; L64-Y123 WeakPolarHBondContact CB-O 3.39Å; L64-Y123 PolarHBondContact N-O 3.15Å; L65-Y123 HydrophobicContact CD1-CD1 4.03Å; L65-Y123 HydrophobicContact CD1-CE1 4.46Å; L65-Y123 HydrophobicContact CD1-CG 4.29Å; L65-Y123 HydrophobicContact CD2-CD1 3.87Å; L65-Y123 HydrophobicContact CD2-CE1 3.89Å; L65-Y123 HydrophobicContact CG-CD1 3.69Å; L65-Y123 HydrophobicContact CG-CE1 4.21Å; L65-Y123 HydrophobicContact CG-CG 4.33Å; I85-Y123 HydrophobicContact CD1-CE1 4.47Å; I85-Y123 HydrophobicContact CG2-CE1 4.31Å; F92-Y123 AromaticContact CD2-CE2 3.86Å; F92-Y123 HydrophobicContact CD2-CE2 3.86Å; F92-Y123 AromaticContact CD2-CZ 3.79Å; F92-Y123 WeakPolarHBondContact CD2-OH 3.39Å; F92-Y123 HydrophobicContact CE2-CE1 4.09Å; F92-Y123 AromaticContact CE2-CE2 3.98Å; F92-Y123 HydrophobicContact CE2-CE2 3.98Å; F92-Y123 AromaticContact CE2-CZ 3.61Å; I95-Y123 HydrophobicContact CD1-CD2 4.22Å; I95-Y123 HydrophobicContact CG1-CD2 4.15Å; I95-Y123 HydrophobicContact CG1-CE2 4.32Å; I95-Y123 HydrophobicContact CG2-CD2 4.23Å; E119-Y123 HydrophobicContact CB-CD2 4.32Å; E119-Y123 HydrophobicContact CB-CE2 4.14Å; E119-Y123 WeakPolarHBondContact O-CD2 3.49Å; E119-Y123 PolarHBondContact O-N 3.41Å; K121-Y123 PolarHBondContact O-N 2.84Å; Y123-I125 PolarHBondContact O-N 3.43Å |
| 124 | L | 94.5 | Very high | 94.2 | Very high | 111 Ų | 111 | 48.2 Ų | 48.2 | 58% | 0.581 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 41.3 | 179.6 | -53.2 | 174.3 | 0 | 0 | 0 | 113.4 | L64 A120 K121 Y122 Q126 | L64-L124 HydrophobicContact CB-CD1 4.38Å; L64-L124 HydrophobicContact CB-CG 4.45Å; A120-L124 PolarHBondContact O-N 2.89Å; K121-L124 WeakPolarHBondContact O-CD2 3.25Å; K121-L124 PolarHBondContact O-N 3.06Å; K121-L124 VanDerWaalsContact O-N 3.17Å; Y122-L124 PolarHBondContact O-N 2.88Å; L124-Q126 PolarHBondContact O-N 2.68Å |
| 125 | I | 95.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -97.1 | 85.5 | -179.5 | -56.1 | 175.6 | 0 | 0 | 0 | 109.1 | I95 Y98 L99 A120 Y123 G127 L128 V129 | I95-I125 HydrophobicContact CD1-CD1 4.4Å; I95-I125 HydrophobicContact CG2-CD1 3.52Å; Y98-I125 HydrophobicContact CD1-CG2 3.46Å; Y98-I125 VanDerWaalsContact CD1-CG2 3.46Å; Y98-I125 HydrophobicContact CE1-CG2 3.38Å; L99-I125 HydrophobicContact CD1-CD1 4.37Å; L99-I125 HydrophobicContact CD2-CD1 4.05Å; L99-I125 HydrophobicContact CG-CD1 4.22Å; A120-I125 PolarHBondContact O-N 3.08Å; Y123-I125 PolarHBondContact O-N 3.43Å; I125-G127 PolarHBondContact O-N 2.89Å; I125-L128 HydrophobicContact CB-CB 4.22Å; I125-L128 HydrophobicContact CG2-CB 3.63Å; I125-L128 PolarHBondContact O-N 3.35Å; I125-L128 VanDerWaalsContact O-N 3.12Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.93Å | ||
| 126 | Q | 92.9 | Very high | 93.2 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.6 | -46 | -169 | -174.2 | 57.4 | 33 | 0 | 0 | 113.7 | L124 L128 V129 E130 | L124-Q126 PolarHBondContact O-N 2.68Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 2.76Å; Q126-V129 WeakPolarHBondContact O-CB 3.47Å; Q126-V129 PolarHBondContact O-N 3.47Å; Q126-V129 VanDerWaalsContact O-N 3.13Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.25Å; Q126-E130 PolarHBondContact NE2-OE1 2.81Å; Q126-E130 PolarHBondContact O-N 3.44Å |
| 127 | G | 92.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -30.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y98 I125 L131 | Y98-G127 VanDerWaalsContact OH-C 3.24Å; Y98-G127 VanDerWaalsContact OH-CA 3.25Å; Y98-G127 WeakPolarHBondContact OH-CA 2.99Å; I125-G127 PolarHBondContact O-N 2.89Å; G127-L131 VanDerWaalsContact O-CG 3.32Å; G127-L131 WeakPolarHBondContact O-CG 3.34Å; G127-L131 PolarHBondContact O-N 3.44Å; G127-L131 VanDerWaalsContact O-N 3.08Å |
| 128 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.7 | -34.7 | 174.4 | -174.9 | 58 | 0 | 0 | 0 | 112.2 | I95 Y98 V104 L106 L116 A120 I125 Q126 E130 L131 C132 | I95-L128 HydrophobicContact CD1-CD2 3.54Å; Y98-L128 HydrophobicContact CD1-CB 3.95Å; Y98-L128 HydrophobicContact CD1-CD2 4.48Å; Y98-L128 HydrophobicContact CD2-CB 4.22Å; Y98-L128 HydrophobicContact CD2-CD1 3.92Å; Y98-L128 HydrophobicContact CE1-CB 3.97Å; Y98-L128 HydrophobicContact CE2-CB 4.25Å; Y98-L128 HydrophobicContact CE2-CD1 4.42Å; Y98-L128 HydrophobicContact CG-CB 4.06Å; Y98-L128 HydrophobicContact CG-CD1 4.17Å; Y98-L128 HydrophobicContact CG-CD2 4.2Å; Y98-L128 HydrophobicContact CG-CG 4.38Å; V104-L128 HydrophobicContact CG1-CD1 3.51Å; L106-L128 HydrophobicContact CD2-CD1 4.25Å; L116-L128 HydrophobicContact CD1-CD2 4.29Å; A120-L128 HydrophobicContact CB-CB 4.16Å; A120-L128 HydrophobicContact CB-CD2 3.88Å; A120-L128 HydrophobicContact CB-CG 3.82Å; I125-L128 HydrophobicContact CB-CB 4.22Å; I125-L128 HydrophobicContact CG2-CB 3.63Å; I125-L128 PolarHBondContact O-N 3.35Å; I125-L128 VanDerWaalsContact O-N 3.12Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 2.76Å; L128-E130 VanDerWaalsContact C-N 3.33Å; L128-L131 HydrophobicContact CD1-CD1 4.5Å; L128-L131 PolarHBondContact O-N 2.76Å; L128-C132 WeakPolarHBondContact O-CB 3.27Å; L128-C132 PolarHBondContact O-N 3.06Å; L128-C132 PolarHBondContact O-SG 3.4Å |
| 129 | V | 94.7 | Very high | 88.4 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 172.2 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | L117 A120 K121 I125 Q126 C132 Q133 | L117-V129 HydrophobicContact CD1-CB 4.33Å; L117-V129 HydrophobicContact CD1-CG1 3.92Å; L117-V129 HydrophobicContact CD1-CG2 4.44Å; A120-V129 HydrophobicContact CB-CG2 3.88Å; K121-V129 HydrophobicContact CB-CG2 4.49Å; K121-V129 HydrophobicContact CG-CG1 4.31Å; K121-V129 HydrophobicContact CG-CG2 3.78Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.93Å; Q126-V129 WeakPolarHBondContact O-CB 3.47Å; Q126-V129 PolarHBondContact O-N 3.47Å; Q126-V129 VanDerWaalsContact O-N 3.13Å; V129-C132 PolarHBondContact O-N 2.94Å; V129-Q133 HydrophobicContact CG1-CG 4.38Å; V129-Q133 WeakPolarHBondContact O-CB 3.42Å; V129-Q133 VanDerWaalsContact O-CG 3.31Å; V129-Q133 WeakPolarHBondContact O-CG 3.27Å; V129-Q133 PolarHBondContact O-N 3.49Å |
| 130 | E | 92.4 | Very high | 86.3 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 178 | -72.2 | 169.5 | -161.8 | 0 | 0 | 111.9 | Q126 L128 C132 Q133 N134 | Q126-E130 WeakPolarHBondContact CG-OE1 3.25Å; Q126-E130 PolarHBondContact NE2-OE1 2.81Å; Q126-E130 PolarHBondContact O-N 3.44Å; L128-E130 VanDerWaalsContact C-N 3.33Å; E130-C132 VanDerWaalsContact C-N 3.33Å; E130-C132 PolarHBondContact O-N 3.3Å; E130-Q133 PolarHBondContact O-N 2.96Å; E130-N134 VanDerWaalsContact O-CB 3.29Å; E130-N134 WeakPolarHBondContact O-CB 3.42Å; E130-N134 PolarHBondContact O-N 3.02Å; E130-N134 PolarHBondContact O-ND2 2.8Å |
| 131 | L | 90.8 | Very high | 84.3 | Confident | 64 Ų | 64 | 73 Ų | 73 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 175.9 | -75.8 | 173.1 | 0 | 0 | 0 | 112.6 | Y98 G127 L128 T135 | Y98-L131 HydrophobicContact CD2-CD1 4.18Å; Y98-L131 HydrophobicContact CE2-CD1 3.54Å; G127-L131 VanDerWaalsContact O-CG 3.32Å; G127-L131 WeakPolarHBondContact O-CG 3.34Å; G127-L131 PolarHBondContact O-N 3.44Å; G127-L131 VanDerWaalsContact O-N 3.08Å; L128-L131 HydrophobicContact CD1-CD1 4.5Å; L128-L131 PolarHBondContact O-N 2.76Å; L131-T135 WeakPolarHBondContact O-CB 3.46Å; L131-T135 PolarHBondContact O-N 3.36Å; L131-T135 VanDerWaalsContact O-N 3.08Å; L131-T135 PolarHBondContact O-OG1 3.35Å |
| 132 | C | 92.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68 | -44.2 | 178.6 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | V113 L117 L128 V129 E130 T135 L136 | V113-C132 HydrophobicContact CG1-CB 4.07Å; L117-C132 HydrophobicContact CB-CB 3.93Å; L117-C132 HydrophobicContact CD1-CB 3.91Å; L117-C132 HydrophobicContact CG-CB 4.41Å; L128-C132 WeakPolarHBondContact O-CB 3.27Å; L128-C132 PolarHBondContact O-N 3.06Å; L128-C132 PolarHBondContact O-SG 3.4Å; V129-C132 PolarHBondContact O-N 2.94Å; E130-C132 VanDerWaalsContact C-N 3.33Å; E130-C132 PolarHBondContact O-N 3.3Å; C132-T135 PolarHBondContact O-N 3.45Å; C132-L136 WeakPolarHBondContact O-CB 3.47Å; C132-L136 VanDerWaalsContact O-CG 3.22Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.49Å |
| 133 | Q | 92.2 | Very high | 80.6 | Confident | 66 Ų | 66 | 76.3 Ų | 76.3 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.9 | -76.9 | 178.3 | -29.5 | 0 | 0 | 112 | L117 V129 E130 T135 L136 Q137 | L117-Q133 HydrophobicContact CD1-CG 4.03Å; L117-Q133 HydrophobicContact CD2-CG 4.26Å; V129-Q133 HydrophobicContact CG1-CG 4.38Å; V129-Q133 WeakPolarHBondContact O-CB 3.42Å; V129-Q133 VanDerWaalsContact O-CG 3.31Å; V129-Q133 WeakPolarHBondContact O-CG 3.27Å; V129-Q133 PolarHBondContact O-N 3.49Å; E130-Q133 PolarHBondContact O-N 2.96Å; Q133-T135 VanDerWaalsContact C-N 3.3Å; Q133-T135 PolarHBondContact O-N 3.02Å; Q133-L136 PolarHBondContact O-N 2.99Å; Q133-Q137 WeakPolarHBondContact O-CB 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.33Å; Q133-Q137 PolarHBondContact O-N 3.16Å |
| 134 | N | 87.5 | Confident | 79.1 | Confident | 99 Ų | 99 | 84.5 Ų | 84.5 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 176.7 | -70.2 | -17.2 | 0 | 0 | 0 | 111.3 | E130 Q137 G138 | E130-N134 VanDerWaalsContact O-CB 3.29Å; E130-N134 WeakPolarHBondContact O-CB 3.42Å; E130-N134 PolarHBondContact O-N 3.02Å; E130-N134 PolarHBondContact O-ND2 2.8Å; N134-Q137 PolarHBondContact O-N 3.23Å; N134-G138 WeakPolarHBondContact O-CA 3.45Å; N134-G138 PolarHBondContact O-N 3.3Å |
| 135 | T | 85.4 | Confident | 78.5 | Confident | 62 Ų | 62 | 80.8 Ų | 80.8 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 176.2 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | L106 L131 C132 Q133 | L106-T135 HydrophobicContact CD1-CG2 3.93Å; L106-T135 WeakPolarHBondContact CD1-OG1 3.43Å; L131-T135 WeakPolarHBondContact O-CB 3.46Å; L131-T135 PolarHBondContact O-N 3.36Å; L131-T135 VanDerWaalsContact O-N 3.08Å; L131-T135 PolarHBondContact O-OG1 3.35Å; C132-T135 PolarHBondContact O-N 3.45Å; Q133-T135 VanDerWaalsContact C-N 3.3Å; Q133-T135 PolarHBondContact O-N 3.02Å |
| 136 | L | 84.3 | Confident | 78.1 | Confident | 22 Ų | 22 | 85.4 Ų | 85.4 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -73 | -28.3 | 177.8 | -69.7 | 167.6 | 0 | 0 | 0 | 113.2 | R110 V113 Q114 L117 C132 Q133 | R110-L136 HydrophobicContact CG-CD2 3.75Å; R110-L136 PolarHBondContact NH1-O 2.77Å; V113-L136 HydrophobicContact CB-CD2 4.15Å; V113-L136 HydrophobicContact CG1-CD1 4.16Å; V113-L136 HydrophobicContact CG1-CD2 3.97Å; V113-L136 HydrophobicContact CG1-CG 3.79Å; Q114-L136 VanDerWaalsContact OE1-CD1 3.24Å; L117-L136 HydrophobicContact CD2-CD1 3.69Å; C132-L136 WeakPolarHBondContact O-CB 3.47Å; C132-L136 VanDerWaalsContact O-CG 3.22Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.49Å; Q133-L136 PolarHBondContact O-N 2.99Å |
| 137 | Q | 76.6 | Confident | 78.2 | Confident | 133 Ų | 133 | 82 Ų | 82 | 62% | 0.621 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -84.7 | -33 | 175.2 | -70.7 | 175.1 | 51.3 | 0 | 0 | 112.4 | Q133 N134 N139 | Q133-Q137 WeakPolarHBondContact O-CB 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.33Å; Q133-Q137 PolarHBondContact O-N 3.16Å; N134-Q137 PolarHBondContact O-N 3.23Å; Q137-N139 PolarHBondContact O-N 3.2Å |
| 138 | G | 59 | Low | 78.2 | Confident | 55 Ų | 55 | 82.7 Ų | 82.7 | 57% | 0.567 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.9 | -12.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N134 K140 | N134-G138 WeakPolarHBondContact O-CA 3.45Å; N134-G138 PolarHBondContact O-N 3.3Å; G138-K140 PolarHBondContact O-N 3.18Å; G138-K140 VanDerWaalsContact O-N 3.16Å |
| 139 | N | 52.7 | Low | 78.3 | Confident | 118 Ų | 118 | 86.1 Ų | 86.1 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | trans | -83.9 | 48.2 | 168.4 | -99.8 | 21.9 | 0 | 0 | 0 | 111.9 | Q137 E141 | Q137-N139 PolarHBondContact O-N 3.2Å; N139-E141 PolarHBondContact O-N 2.86Å | ||
| 140 | K | 53 | Low | 78.2 | Confident | 178 Ų | 178 | 85.7 Ų | 85.7 | 77% | 0.774 | 46% | 0.455 | S | S | * | . | trans | -65 | 114.7 | 146.5 | -76.3 | -175.3 | 179.1 | 179.2 | 0 | 104.2 | G138 Q142 | G138-K140 PolarHBondContact O-N 3.18Å; G138-K140 VanDerWaalsContact O-N 3.16Å; K140-Q142 VanDerWaalsContact C-N 3.32Å; K140-Q142 PolarHBondContact O-N 3.06Å | ||
| 141 | E | 53.7 | Low | 77.9 | Confident | 186 Ų | 186 | 86.1 Ų | 86.1 | 87% | 0.869 | 46% | 0.464 | S | S | * | . | trans | -46.1 | 102.8 | 170.2 | -67.6 | 172.8 | 163.6 | 0 | 0 | 107.2 | N139 P143 | N139-E141 PolarHBondContact O-N 2.86Å; E141-P143 WeakPolarHBondContact O-CD 3.34Å | ||
| 142 | Q | 53.8 | Low | 77.9 | Confident | 173 Ų | 173 | 85.2 Ų | 85.2 | 81% | 0.808 | 46% | 0.463 | S | S | * | . | trans | -66.3 | 126.4 | 172.9 | -72.7 | -165.4 | 5.2 | 0 | 0 | 105.1 | K140 M144 | K140-Q142 VanDerWaalsContact C-N 3.32Å; K140-Q142 PolarHBondContact O-N 3.06Å; Q142-M144 PolarHBondContact O-N 2.91Å; Q142-M144 VanDerWaalsContact O-N 3.14Å | ||
| 143 | P | 59.2 | Low | 77.8 | Confident | 90 Ų | 90 | 92 Ų | 92 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | trans | -53.9 | 126 | 179.2 | 20.7 | -32.3 | 0 | 0 | 0 | 108.9 | E141 C145 V146 | E141-P143 WeakPolarHBondContact O-CD 3.34Å; P143-C145 PolarHBondContact O-N 2.93Å; P143-C145 VanDerWaalsContact O-N 3.1Å; P143-V146 HydrophobicContact CB-CG2 4.03Å; P143-V146 HydrophobicContact CG-CG2 3.42Å; P143-V146 VanDerWaalsContact CG-CG2 3.42Å | ||
| 144 | M | 65.3 | Low | 77.8 | Confident | 173 Ų | 173 | 96.5 Ų | 96.5 | 85% | 0.852 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -57.7 | -26 | -178.7 | -70.7 | -170.8 | 165.7 | 0 | 0 | 112.4 | Q142 | Q142-M144 PolarHBondContact O-N 2.91Å; Q142-M144 VanDerWaalsContact O-N 3.14Å |
| 145 | C | 80.3 | Confident | 78 | Confident | 33 Ų | 33 | 94.6 Ų | 94.6 | 22% | 0.223 | 50% | 0.496 | C | S | . | . | trans | -144.4 | 125.8 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | P143 L201 N204 | P143-C145 PolarHBondContact O-N 2.93Å; P143-C145 VanDerWaalsContact O-N 3.1Å; C145-L201 HydrophobicContact CB-CD2 4.19Å; C145-N204 HydrophobicContact CB-CB 4.08Å | ||
| 146 | V | 88.6 | Confident | 78.3 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | trans | -110.8 | 123.8 | 170.9 | -179 | 0 | 0 | 0 | 0 | 107.3 | P143 P148 | P143-V146 HydrophobicContact CB-CG2 4.03Å; P143-V146 HydrophobicContact CG-CG2 3.42Å; P143-V146 VanDerWaalsContact CG-CG2 3.42Å; V146-P148 WeakPolarHBondContact O-CD 3.47Å | ||
| 147 | I | 93.9 | Very high | 78.6 | Confident | 45 Ų | 45 | 97.2 Ų | 97.2 | 23% | 0.231 | 50% | 0.503 | C | S | . | . | trans | -110 | 107.3 | 179.6 | -56.2 | -179.5 | 0 | 0 | 0 | 107.5 | F196 S200 K211 | I147-F196 HydrophobicContact CD1-CE1 3.89Å; I147-F196 HydrophobicContact CG2-CE1 3.72Å; I147-F196 HydrophobicContact CG2-CZ 4.03Å; I147-S200 VanDerWaalsContact CD1-OG 3.28Å; I147-S200 WeakPolarHBondContact CD1-OG 3.38Å; I147-K211 HydrophobicContact CG2-CD 4.23Å; I147-K211 HydrophobicContact CG2-CG 4.04Å | ||
| 148 | P | 93.6 | Very high | 79.4 | Confident | 37 Ų | 37 | 97 Ų | 97 | 24% | 0.24 | 50% | 0.502 | C | S | . | . | trans | -61.3 | 143.8 | 172.8 | -21.1 | 33.5 | 0 | 0 | 0 | 111.2 | V146 I150 L159 F209 F210 K211 | V146-P148 WeakPolarHBondContact O-CD 3.47Å; P148-I150 HydrophobicContact CB-CD1 4.11Å; P148-L159 HydrophobicContact CB-CD1 4.41Å; P148-F209 VanDerWaalsContact CD-O 3.3Å; P148-F209 WeakPolarHBondContact CD-O 3.35Å; P148-F210 HydrophobicContact CB-CB 4.08Å; P148-F210 HydrophobicContact CG-CB 4.33Å; P148-F210 WeakPolarHBondContact O-CA 3.34Å; P148-F210 WeakPolarHBondContact O-CB 3.35Å; P148-K211 PolarHBondContact O-N 3.17Å | ||
| 149 | V | 94.2 | Very high | 81 | Confident | 72 Ų | 72 | 96.3 Ų | 96.3 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 114.1 | 170 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | K211 V213 | V149-K211 CarbonylContact C-O 3.53Å; V149-K211 WeakPolarHBondContact CA-O 3.49Å; V149-K211 HydrophobicContact CG2-CB 4.3Å; V149-V213 HydrophobicContact CG1-CG1 3.93Å; V149-V213 HydrophobicContact CG1-CG2 3.96Å |
| 150 | I | 92.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 136.4 | -172.7 | -50.5 | -48.8 | 0 | 0 | 0 | 110.2 | P148 S152 E155 E156 L159 F210 K211 | P148-I150 HydrophobicContact CB-CD1 4.11Å; I150-S152 WeakPolarHBondContact CG2-O 3.35Å; I150-E155 HydrophobicContact CD1-CG 4.07Å; I150-E155 HydrophobicContact CG2-CB 4.06Å; I150-E155 HydrophobicContact CG2-CG 4.24Å; I150-E156 HydrophobicContact CG2-CB 4.17Å; I150-L159 HydrophobicContact CD1-CD1 3.15Å; I150-L159 HydrophobicContact CG1-CD1 4.35Å; I150-F210 HydrophobicContact CD1-CB 4.31Å; I150-F210 HydrophobicContact CD1-CD2 4.05Å; I150-F210 HydrophobicContact CD1-CG 4.27Å; I150-F210 HydrophobicContact CG1-CB 4.34Å; I150-F210 HydrophobicContact CG1-CD2 3.38Å; I150-F210 HydrophobicContact CG1-CE2 3.76Å; I150-F210 HydrophobicContact CG1-CG 4.07Å; I150-K211 PolarHBondContact N-O 3.32Å |
| 151 | T | 87.6 | Confident | 84.7 | Confident | 100 Ų | 100 | 89.3 Ų | 89.3 | 61% | 0.613 | 45% | 0.452 | S | S | * | . | trans | -121.9 | -0.6 | -178.8 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | E155 | T151-E155 PolarHBondContact N-OE2 3.4Å; T151-E155 PolarHBondContact OG1-OE2 2.9Å | ||
| 152 | S | 90.8 | Very high | 86.5 | Confident | 46 Ų | 46 | 85 Ų | 85 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -151.8 | 150.6 | 174.2 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | I150 K154 E155 E156 | I150-S152 WeakPolarHBondContact CG2-O 3.35Å; S152-K154 PolarHBondContact O-N 2.84Å; S152-E155 WeakPolarHBondContact O-CB 3.33Å; S152-E155 PolarHBondContact O-N 3.32Å; S152-E155 WeakPolarHBondContact OG-CB 3.33Å; S152-E155 PolarHBondContact OG-N 3.33Å; S152-E156 PolarHBondContact O-N 3.48Å |
| 153 | Y | 89.9 | Confident | 88.2 | Confident | 142 Ų | 142 | 77.7 Ų | 77.7 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.3 | -31.1 | 174.2 | -66 | -72.5 | 0 | 0 | 0 | 113.3 | E156 E157 I214 | Y153-E156 WeakPolarHBondContact O-CB 3.44Å; Y153-E156 PolarHBondContact O-N 3.41Å; Y153-E157 PolarHBondContact O-N 3.33Å; Y153-I214 HydrophobicContact CD2-CD1 4.24Å; Y153-I214 HydrophobicContact CE2-CD1 4.22Å; Y153-I214 HydrophobicContact CG-CD1 4.4Å |
| 154 | K | 91.5 | Very high | 89.5 | Confident | 160 Ų | 160 | 78.7 Ų | 78.7 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.7 | -39.3 | 176.8 | -69.7 | -174.8 | 178.1 | -178.7 | 0 | 112.1 | S152 E157 Q158 | S152-K154 PolarHBondContact O-N 2.84Å; K154-E157 PolarHBondContact O-N 3.02Å; K154-Q158 WeakPolarHBondContact O-CB 3.41Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.44Å; K154-Q158 PolarHBondContact O-N 3.23Å |
| 155 | E | 91.6 | Very high | 90.8 | Very high | 59 Ų | 59 | 74.2 Ų | 74.2 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 176.7 | -176.2 | -173.5 | -168.4 | 0 | 0 | 111.1 | I150 T151 S152 Q158 L159 | I150-E155 HydrophobicContact CD1-CG 4.07Å; I150-E155 HydrophobicContact CG2-CB 4.06Å; I150-E155 HydrophobicContact CG2-CG 4.24Å; T151-E155 PolarHBondContact N-OE2 3.4Å; T151-E155 PolarHBondContact OG1-OE2 2.9Å; S152-E155 WeakPolarHBondContact O-CB 3.33Å; S152-E155 PolarHBondContact O-N 3.32Å; S152-E155 WeakPolarHBondContact OG-CB 3.33Å; S152-E155 PolarHBondContact OG-N 3.33Å; E155-Q158 PolarHBondContact O-N 3.06Å; E155-L159 HydrophobicContact CG-CD1 4.34Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 2.97Å |
| 156 | E | 91.2 | Very high | 91.5 | Very high | 23 Ų | 23 | 72.6 Ų | 72.6 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.7 | -54.4 | 171.4 | 176.8 | -179.6 | 175.8 | 0 | 0 | 111.5 | I150 S152 Y153 Q158 L159 V160 K169 F210 Y224 | I150-E156 HydrophobicContact CG2-CB 4.17Å; S152-E156 PolarHBondContact O-N 3.48Å; Y153-E156 WeakPolarHBondContact O-CB 3.44Å; Y153-E156 PolarHBondContact O-N 3.41Å; E156-Q158 VanDerWaalsContact C-N 3.3Å; E156-Q158 PolarHBondContact O-N 3.22Å; E156-L159 PolarHBondContact O-N 2.91Å; E156-V160 HydrophobicContact CG-CG2 4.39Å; E156-V160 WeakPolarHBondContact O-CG2 3.46Å; E156-V160 PolarHBondContact O-N 2.88Å; E156-K169 HydrophobicContact CG-CD 4.5Å; E156-K169 WeakPolarHBondContact OE1-CE 3.44Å; E156-K169 IonicContact OE1-NZ 2.77Å; E156-K169 PolarHBondContact OE1-NZ 3.44Å; E156-K169 IonicContact OE2-NZ 2.64Å; E156-K169 PolarHBondContact OE2-NZ 3.4Å; E156-F210 HydrophobicContact CG-CE2 4.32Å; E156-F210 HydrophobicContact CG-CZ 4.15Å; E156-Y224 PolarHBondContact OE1-OH 3.01Å |
| 157 | E | 92 | Very high | 91.9 | Very high | 116 Ų | 116 | 67.9 Ų | 67.9 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | -179.1 | -74.5 | -179.8 | 172.9 | 0 | 0 | 111.4 | Y153 K154 V160 Q161 | Y153-E157 PolarHBondContact O-N 3.33Å; K154-E157 PolarHBondContact O-N 3.02Å; E157-V160 PolarHBondContact O-N 2.8Å; E157-Q161 VanDerWaalsContact O-CB 3.27Å; E157-Q161 WeakPolarHBondContact O-CB 3.43Å; E157-Q161 WeakPolarHBondContact O-CG 3.35Å; E157-Q161 PolarHBondContact O-N 2.96Å |
| 158 | Q | 92.8 | Very high | 92 | Very high | 128 Ų | 128 | 65.7 Ų | 65.7 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 177.9 | -76.7 | 177.9 | -0.9 | 0 | 0 | 112.4 | K154 E155 E156 S162 | K154-Q158 WeakPolarHBondContact O-CB 3.41Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.44Å; K154-Q158 PolarHBondContact O-N 3.23Å; E155-Q158 PolarHBondContact O-N 3.06Å; E156-Q158 VanDerWaalsContact C-N 3.3Å; E156-Q158 PolarHBondContact O-N 3.22Å; Q158-S162 WeakPolarHBondContact O-CB 3.37Å; Q158-S162 PolarHBondContact O-N 2.87Å; Q158-S162 PolarHBondContact O-OG 2.76Å |
| 159 | L | 92.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 178.8 | -75 | 170.7 | 0 | 0 | 0 | 112 | P148 I150 E155 E156 S163 F210 | P148-L159 HydrophobicContact CB-CD1 4.41Å; I150-L159 HydrophobicContact CD1-CD1 3.15Å; I150-L159 HydrophobicContact CG1-CD1 4.35Å; E155-L159 HydrophobicContact CG-CD1 4.34Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 2.97Å; E156-L159 PolarHBondContact O-N 2.91Å; L159-S163 WeakPolarHBondContact O-CB 3.34Å; L159-S163 PolarHBondContact O-N 3.1Å; L159-S163 VanDerWaalsContact O-N 3.13Å; L159-F210 HydrophobicContact CB-CE1 4.3Å; L159-F210 HydrophobicContact CD1-CD1 4.45Å |
| 160 | V | 92.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111 | E156 E157 V167 F210 Y224 G227 | E156-V160 HydrophobicContact CG-CG2 4.39Å; E156-V160 WeakPolarHBondContact O-CG2 3.46Å; E156-V160 PolarHBondContact O-N 2.88Å; E157-V160 PolarHBondContact O-N 2.8Å; V160-V167 HydrophobicContact CG2-CG1 4.42Å; V160-F210 HydrophobicContact CG2-CE1 4.24Å; V160-F210 HydrophobicContact CG2-CZ 4.04Å; V160-Y224 HydrophobicContact CB-CD1 4.47Å; V160-Y224 HydrophobicContact CG1-CD1 3.62Å; V160-Y224 HydrophobicContact CG1-CE1 4.27Å; V160-Y224 HydrophobicContact CG1-CG 4.05Å; V160-Y224 HydrophobicContact CG2-CD1 3.96Å; V160-Y224 HydrophobicContact CG2-CD2 4.31Å; V160-Y224 HydrophobicContact CG2-CE1 4.05Å; V160-Y224 HydrophobicContact CG2-CE2 4.44Å; V160-Y224 HydrophobicContact CG2-CG 4.11Å; V160-G227 WeakPolarHBondContact O-CA 3.37Å |
| 161 | Q | 91.6 | Very high | 92.4 | Very high | 142 Ų | 142 | 61.8 Ų | 61.8 | 66% | 0.664 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -76.2 | -35.7 | -177.3 | -71.1 | 177.5 | 0.8 | 0 | 0 | 113.8 | E157 | E157-Q161 VanDerWaalsContact O-CB 3.27Å; E157-Q161 WeakPolarHBondContact O-CB 3.43Å; E157-Q161 WeakPolarHBondContact O-CG 3.35Å; E157-Q161 PolarHBondContact O-N 2.96Å |
| 162 | S | 90.6 | Very high | 92.6 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -83.3 | -17.9 | -179.6 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | Q158 S164 | Q158-S162 WeakPolarHBondContact O-CB 3.37Å; Q158-S162 PolarHBondContact O-N 2.87Å; Q158-S162 PolarHBondContact O-OG 2.76Å; S162-S164 PolarHBondContact O-N 3.05Å |
| 163 | S | 89.2 | Confident | 92.4 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | trans | -72.4 | 124.2 | -179.4 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | L159 K165 | L159-S163 WeakPolarHBondContact O-CB 3.34Å; L159-S163 PolarHBondContact O-N 3.1Å; L159-S163 VanDerWaalsContact O-N 3.13Å; S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact OG-N 2.84Å; S163-K165 VanDerWaalsContact OG-N 3.08Å; S163-K165 PolarHBondContact OG-O 3.04Å | ||
| 164 | S | 88.3 | Confident | 91.9 | Very high | 111 Ų | 111 | 59.5 Ų | 59.5 | 78% | 0.776 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -77.2 | -13.9 | 166.5 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | S162 | S162-S164 PolarHBondContact O-N 3.05Š|
| 165 | K | 91.8 | Very high | 91.3 | Very high | 78 Ų | 78 | 57 Ų | 57 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -95.1 | 151.4 | 178.7 | -60.5 | -176.2 | -171.2 | -172.2 | 0 | 110.7 | S163 S205 | S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact OG-N 2.84Å; S163-K165 VanDerWaalsContact OG-N 3.08Å; S163-K165 PolarHBondContact OG-O 3.04Å; K165-S205 WeakPolarHBondContact CE-O 3.03Å; K165-S205 PolarHBondContact NZ-O 3.15Å |
| 166 | P | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -54.8 | 153.1 | 161.5 | 25 | -34.1 | 0 | 0 | 0 | 110.6 | R206 V207 L208 Y224 T263 | P166-R206 WeakPolarHBondContact CD-O 3.43Å; P166-V207 HydrophobicContact CG-CG2 4.04Å; P166-V207 WeakPolarHBondContact O-CA 3.44Å; P166-L208 PolarHBondContact O-N 2.72Å; P166-Y224 WeakPolarHBondContact CA-O 3.5Å; P166-T263 WeakPolarHBondContact CB-O 3.06Å | ||
| 167 | V | 96.1 | Very high | 89 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.3 | -171.6 | 179.7 | 0 | 0 | 0 | 0 | 110 | V160 L208 F210 Y224 | V160-V167 HydrophobicContact CG2-CG1 4.42Å; V167-L208 CarbonylContact C-O 3.57Å; V167-L208 VanDerWaalsContact CA-O 3.25Å; V167-L208 WeakPolarHBondContact CA-O 3.28Å; V167-L208 HydrophobicContact CG2-CB 4.24Å; V167-L208 HydrophobicContact CG2-CD2 4.26Å; V167-F210 HydrophobicContact CG1-CD1 3.65Å; V167-F210 HydrophobicContact CG1-CE1 3.09Å; V167-F210 HydrophobicContact CG1-CZ 3.9Å; V167-Y224 HydrophobicContact CB-CD2 4.15Å; V167-Y224 HydrophobicContact CB-CG 4.46Å; V167-Y224 HydrophobicContact CG1-CD2 4.09Å; V167-Y224 PolarHBondContact N-O 3.43Å; V167-Y224 PolarHBondContact O-N 3.2Å |
| 168 | V | 97.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.3 | 170.7 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | V207 L208 F209 F210 W221 F223 T260 T263 | V168-V207 HydrophobicContact CB-CG1 4.17Å; V168-V207 HydrophobicContact CG2-CG1 3.66Å; V168-L208 PolarHBondContact N-O 3.34Å; V168-F209 HydrophobicContact CB-CD1 3.7Å; V168-F209 HydrophobicContact CB-CE1 3.66Å; V168-F209 HydrophobicContact CB-CG 4.49Å; V168-F209 HydrophobicContact CB-CZ 4.44Å; V168-F209 HydrophobicContact CG1-CD1 3.93Å; V168-F209 HydrophobicContact CG1-CE1 3.83Å; V168-F209 HydrophobicContact CG2-CE1 4.09Å; V168-F209 HydrophobicContact CG2-CZ 4.49Å; V168-F209 WeakPolarHBondContact O-CA 3.49Å; V168-F210 PolarHBondContact O-N 3.23Å; V168-F210 VanDerWaalsContact O-N 3.1Å; V168-W221 HydrophobicContact CG1-CE3 3.77Å; V168-W221 HydrophobicContact CG1-CZ3 3.89Å; V168-F223 HydrophobicContact CG1-CD1 4.32Å; V168-F223 HydrophobicContact CG1-CE1 4.04Å; V168-F223 HydrophobicContact CG2-CD1 3.89Å; V168-F223 HydrophobicContact CG2-CE1 4.19Å; V168-T260 HydrophobicContact CG2-CG2 4.44Å; V168-T263 HydrophobicContact CG2-CG2 4.46Å |
| 169 | K | 96.6 | Very high | 86 | Confident | 12 Ų | 12 | 62 Ų | 62 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.2 | 178.1 | 176.5 | 175.6 | 92.5 | 154.4 | 0 | 109.6 | E156 F210 D212 W221 S222 Y224 | E156-K169 HydrophobicContact CG-CD 4.5Å; E156-K169 WeakPolarHBondContact OE1-CE 3.44Å; E156-K169 IonicContact OE1-NZ 2.77Å; E156-K169 PolarHBondContact OE1-NZ 3.44Å; E156-K169 IonicContact OE2-NZ 2.64Å; E156-K169 PolarHBondContact OE2-NZ 3.4Å; K169-F210 WeakPolarHBondContact CA-O 3.46Å; K169-F210 HydrophobicContact CB-CD2 4.03Å; K169-F210 HydrophobicContact CB-CE2 3.6Å; K169-F210 HydrophobicContact CB-CZ 3.92Å; K169-F210 HydrophobicContact CD-CD2 4.12Å; K169-F210 HydrophobicContact CD-CE2 3.27Å; K169-F210 HydrophobicContact CD-CZ 3.95Å; K169-F210 HydrophobicContact CG-CD2 3.76Å; K169-F210 HydrophobicContact CG-CE2 3.35Å; K169-F210 HydrophobicContact CG-CZ 4.14Å; K169-D212 HydrophobicContact CD-CB 3.94Å; K169-D212 HydrophobicContact CG-CB 4.08Å; K169-D212 IonicContact NZ-OD2 3.99Å; K169-D212 PolarHBondContact NZ-OD2 2.96Å; K169-W221 WeakPolarHBondContact O-CA 3.38Å; K169-S222 PolarHBondContact N-O 3.13Å; K169-S222 PolarHBondContact O-N 3.25Å; K169-Y224 HydrophobicContact CB-CE2 3.99Å; K169-Y224 WeakPolarHBondContact CE-OH 3.39Å |
| 170 | L | 97.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.4 | 163.8 | 175.8 | 61.7 | 0 | 0 | 0 | 109.5 | Y172 I193 F196 F210 K211 D212 W221 | L170-Y172 HydrophobicContact CD2-CD1 4.27Å; L170-Y172 HydrophobicContact CG-CD1 4.17Å; L170-I193 HydrophobicContact CD2-CG1 4.35Å; L170-F196 HydrophobicContact CB-CB 4.48Å; L170-F196 HydrophobicContact CB-CD2 3.33Å; L170-F196 HydrophobicContact CB-CE2 3.57Å; L170-F196 HydrophobicContact CB-CG 3.94Å; L170-F196 HydrophobicContact CB-CZ 4.36Å; L170-F196 HydrophobicContact CD2-CB 3.63Å; L170-F196 HydrophobicContact CD2-CD2 4.09Å; L170-F196 HydrophobicContact CD2-CG 3.84Å; L170-F196 HydrophobicContact CG-CD2 4.33Å; L170-F210 PolarHBondContact N-O 3.45Å; L170-K211 CarbonylContact O-C 3.53Å; L170-K211 WeakPolarHBondContact O-CA 3.39Å; L170-D212 PolarHBondContact O-N 2.83Å; L170-W221 HydrophobicContact CD1-CD2 4.05Å; L170-W221 HydrophobicContact CD1-CG 4.17Å; L170-W221 HydrophobicContact CD1-CZ2 4.25Å |
| 171 | L | 94.6 | Very high | 83 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.2 | 165.1 | -176 | 167.2 | 0 | 0 | 0 | 108.2 | D212 E217 C219 C220 | L171-D212 VanDerWaalsContact CA-O 3.29Å; L171-D212 WeakPolarHBondContact CA-O 3.37Å; L171-D212 HydrophobicContact CB-CB 4.12Å; L171-D212 HydrophobicContact CG-CB 4.36Å; L171-E217 HydrophobicContact CD1-CB 4.46Å; L171-E217 HydrophobicContact CD2-CB 3.93Å; L171-E217 WeakPolarHBondContact CD2-O 3.29Å; L171-C219 VanDerWaalsContact O-CA 3.28Å; L171-C219 WeakPolarHBondContact O-CA 3.08Å; L171-C220 HydrophobicContact CB-CB 4.32Å; L171-C220 WeakPolarHBondContact CB-O 3.4Å; L171-C220 PolarHBondContact N-O 3.08Å; L171-C220 PolarHBondContact O-N 2.97Å |
| 172 | Y | 91.4 | Very high | 82.2 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 129.3 | 170.3 | 69.9 | -79.1 | 0 | 0 | 0 | 110.6 | L170 I193 K211 D212 V213 I218 | L170-Y172 HydrophobicContact CD2-CD1 4.27Å; L170-Y172 HydrophobicContact CG-CD1 4.17Å; Y172-I193 HydrophobicContact CD2-CD1 4.17Å; Y172-K211 HydrophobicContact CE1-CB 3.94Å; Y172-K211 HydrophobicContact CE1-CD 3.81Å; Y172-K211 HydrophobicContact CE1-CG 3.9Å; Y172-D212 PolarHBondContact N-O 2.91Å; Y172-V213 HydrophobicContact CE1-CG1 4.15Å; Y172-V213 HydrophobicContact CE2-CG1 4.49Å; Y172-I218 CarbonylContact C-O 3.52Å; Y172-I218 WeakPolarHBondContact CA-O 3.32Å |
| 173 | N | 87.4 | Confident | 81.8 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | trans | -129.6 | 89.7 | -178.5 | -170 | -21.2 | 0 | 0 | 0 | 110 | S175 N176 Y181 G215 E217 I218 | N173-S175 PolarHBondContact O-N 3.01Å; N173-S175 PolarHBondContact OD1-N 3.37Å; N173-S175 PolarHBondContact OD1-OG 3.25Å; N173-N176 HydrophobicContact CB-CB 4.13Å; N173-N176 PolarHBondContact O-N 3.39Å; N173-N176 PolarHBondContact OD1-N 2.99Å; N173-Y181 PolarHBondContact O-OH 2.65Å; N173-G215 PolarHBondContact ND2-O 2.91Å; N173-E217 VanDerWaalsContact CB-O 3.32Å; N173-E217 WeakPolarHBondContact CB-O 3.35Å; N173-I218 PolarHBondContact N-O 3.42Å | ||
| 174 | R | 79.1 | Confident | 81.7 | Confident | 159 Ų | 159 | 62.3 Ų | 62.3 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -26.2 | 178.7 | -165 | 178.3 | -167.8 | 179.9 | 9.2 | 112.7 | N176 Y181 D186 | R174-N176 VanDerWaalsContact C-N 3.33Å; R174-Y181 PolarHBondContact O-OH 3.2Å; R174-D186 IonicContact CZ-OD1 2.7Å; R174-D186 IonicContact NE-OD1 3.75Å; R174-D186 IonicContact NH2-OD1 2.77Å; R174-D186 PolarHBondContact NH2-OD1 2.77Å; R174-D186 IonicContact NH2-OD2 3.8Å |
| 175 | S | 77.6 | Confident | 81.7 | Confident | 107 Ų | 107 | 57 Ų | 57 | 75% | 0.748 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.2 | 179 | 38 | 0 | 0 | 0 | 0 | 113.6 | N173 N177 | N173-S175 PolarHBondContact O-N 3.01Å; N173-S175 PolarHBondContact OD1-N 3.37Å; N173-S175 PolarHBondContact OD1-OG 3.25Å; S175-N177 PolarHBondContact O-N 3.5Å |
| 176 | N | 74.9 | Confident | 81.5 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | trans | -72.8 | 96 | 178 | -169 | -5.6 | 0 | 0 | 0 | 109.9 | N173 R174 K178 Y181 D216 I218 | N173-N176 HydrophobicContact CB-CB 4.13Å; N173-N176 PolarHBondContact O-N 3.39Å; N173-N176 PolarHBondContact OD1-N 2.99Å; R174-N176 VanDerWaalsContact C-N 3.33Å; N176-K178 VanDerWaalsContact C-N 3.31Å; N176-K178 PolarHBondContact O-N 3.03Å; N176-K178 VanDerWaalsContact OD1-CB 3.24Å; N176-K178 WeakPolarHBondContact OD1-CB 3.24Å; N176-K178 PolarHBondContact OD1-N 3.44Å; N176-Y181 PolarHBondContact O-OH 3.27Å; N176-D216 PolarHBondContact ND2-O 2.89Å; N176-I218 HydrophobicContact CB-CG1 4.39Å | ||
| 177 | N | 61.5 | Low | 81.3 | Confident | 119 Ų | 119 | 59.2 Ų | 59.2 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | trans | -97.3 | 28.6 | -176.3 | -157.9 | 3 | 0 | 0 | 0 | 112.3 | S175 Y179 Y181 | S175-N177 PolarHBondContact O-N 3.5Å; N177-Y179 PolarHBondContact O-N 3.04Å; N177-Y181 HydrophobicContact CB-CE2 4.48Å | ||
| 178 | K | 61.3 | Low | 81.1 | Confident | 125 Ų | 125 | 59.8 Ų | 59.8 | 54% | 0.543 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -73.8 | 57.7 | 179.8 | -163.4 | 175.3 | -178.1 | 179 | 0 | 111.4 | N176 | N176-K178 VanDerWaalsContact C-N 3.31Å; N176-K178 PolarHBondContact O-N 3.03Å; N176-K178 VanDerWaalsContact OD1-CB 3.24Å; N176-K178 WeakPolarHBondContact OD1-CB 3.24Å; N176-K178 PolarHBondContact OD1-N 3.44Å |
| 179 | Y | 58.4 | Low | 80.8 | Confident | 161 Ų | 161 | 60 Ų | 60 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 82 | 59.9 | 166.7 | -41.4 | -76.9 | 0 | 0 | 0 | 117.9 | N177 T247 | N177-Y179 PolarHBondContact O-N 3.04Å; Y179-T247 PolarHBondContact O-N 3.29Å |
| 180 | S | 59.5 | Low | 80.7 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | trans | 165.4 | 100 | 150.8 | -86.7 | 0 | 0 | 0 | 0 | 116.3 | Q246 T247 | S180-Q246 WeakPolarHBondContact OG-CA 3.29Å; S180-Q246 WeakPolarHBondContact OG-CB 3.35Å; S180-T247 WeakPolarHBondContact CB-O 3.44Å; S180-T247 PolarHBondContact OG-N 3.36Å; S180-T247 PolarHBondContact OG-O 3.35Å | ||
| 181 | Y | 62.6 | Low | 80.6 | Confident | 73 Ų | 73 | 68 Ų | 68 | 29% | 0.286 | 34% | 0.34 | S | S | . | . | trans | -120.1 | 89 | 153.5 | -62.5 | -73.9 | 0 | 0 | 0 | 107.7 | N173 R174 N176 N177 I218 | N173-Y181 PolarHBondContact O-OH 2.65Å; R174-Y181 PolarHBondContact O-OH 3.2Å; N176-Y181 PolarHBondContact O-OH 3.27Å; N177-Y181 HydrophobicContact CB-CE2 4.48Å; Y181-I218 HydrophobicContact CE1-CG2 4.38Å | ||
| 182 | T | 75.9 | Confident | 80.7 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | trans | -71.4 | 155.5 | 153.8 | 65.8 | 0 | 0 | 0 | 0 | 107.3 | N184 S185 D186 | T182-N184 PolarHBondContact O-N 3.43Å; T182-S185 WeakPolarHBondContact O-CA 3.46Å; T182-S185 WeakPolarHBondContact O-CB 3.1Å; T182-S185 PolarHBondContact O-N 2.86Å; T182-S185 PolarHBondContact OG1-N 3.14Å; T182-S185 PolarHBondContact OG1-OG 3.18Å; T182-S185 VanDerWaalsContact OG1-OG 3.06Å; T182-D186 PolarHBondContact O-N 2.84Å | ||
| 183 | S | 81.8 | Confident | 80.8 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 70% | 0.699 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -49.8 | -42.5 | 173.1 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | S185 D186 D187 | S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.96Å; S183-D186 PolarHBondContact O-N 3.02Å; S183-D186 VanDerWaalsContact O-N 3.16Å; S183-D187 PolarHBondContact O-N 3.04Å |
| 184 | N | 87.1 | Confident | 81.3 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -32.9 | 175.5 | -171.6 | 89.3 | 0 | 0 | 0 | 114.1 | T182 N188 | T182-N184 PolarHBondContact O-N 3.43Å; N184-N188 PolarHBondContact ND2-ND2 2.9Å; N184-N188 WeakPolarHBondContact O-CB 3.22Å; N184-N188 VanDerWaalsContact O-CG 3.23Å; N184-N188 PolarHBondContact O-N 3.41Å; N184-N188 PolarHBondContact O-ND2 3.19Å |
| 185 | S | 87.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.4 | -40.5 | 175.7 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | T182 S183 N188 L189 V249 | T182-S185 WeakPolarHBondContact O-CA 3.46Å; T182-S185 WeakPolarHBondContact O-CB 3.1Å; T182-S185 PolarHBondContact O-N 2.86Å; T182-S185 PolarHBondContact OG1-N 3.14Å; T182-S185 PolarHBondContact OG1-OG 3.18Å; T182-S185 VanDerWaalsContact OG1-OG 3.06Å; S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.96Å; S185-N188 PolarHBondContact O-N 3.34Å; S185-L189 WeakPolarHBondContact O-CB 3.26Å; S185-L189 PolarHBondContact O-N 2.68Å; S185-V249 PolarHBondContact OG-N 2.78Å |
| 186 | D | 87.3 | Confident | 83.1 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 24% | 0.235 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | 177.2 | -168.9 | 76.9 | 0 | 0 | 0 | 110.1 | R174 T182 S183 N188 L189 L190 | R174-D186 IonicContact CZ-OD1 2.7Å; R174-D186 IonicContact NE-OD1 3.75Å; R174-D186 IonicContact NH2-OD1 2.77Å; R174-D186 PolarHBondContact NH2-OD1 2.77Å; R174-D186 IonicContact NH2-OD2 3.8Å; T182-D186 PolarHBondContact O-N 2.84Å; S183-D186 PolarHBondContact O-N 3.02Å; S183-D186 VanDerWaalsContact O-N 3.16Å; D186-N188 VanDerWaalsContact C-N 3.33Å; D186-N188 PolarHBondContact O-N 2.82Å; D186-L189 WeakPolarHBondContact O-CB 3.08Å; D186-L189 PolarHBondContact O-N 2.75Å; D186-L189 VanDerWaalsContact O-N 3.14Å; D186-L190 WeakPolarHBondContact O-CG 3.42Å; D186-L190 PolarHBondContact O-N 3.02Å |
| 187 | D | 91.2 | Very high | 84.1 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.9 | -45.1 | 173.9 | -68 | -27.1 | 0 | 0 | 0 | 111.9 | S183 L190 K191 | S183-D187 PolarHBondContact O-N 3.04Å; D187-L190 PolarHBondContact O-N 3.27Å; D187-K191 WeakPolarHBondContact O-CG 3.47Å; D187-K191 PolarHBondContact O-N 2.98Å |
| 188 | N | 92.7 | Very high | 85.8 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 178.2 | -78.3 | -14.9 | 0 | 0 | 0 | 112.6 | N184 S185 D186 K191 N192 V249 F251 | N184-N188 PolarHBondContact ND2-ND2 2.9Å; N184-N188 WeakPolarHBondContact O-CB 3.22Å; N184-N188 VanDerWaalsContact O-CG 3.23Å; N184-N188 PolarHBondContact O-N 3.41Å; N184-N188 PolarHBondContact O-ND2 3.19Å; S185-N188 PolarHBondContact O-N 3.34Å; D186-N188 VanDerWaalsContact C-N 3.33Å; D186-N188 PolarHBondContact O-N 2.82Å; N188-K191 PolarHBondContact O-N 3.38Å; N188-N192 PolarHBondContact O-N 3.24Å; N188-N192 PolarHBondContact O-ND2 3.49Å; N188-V249 HydrophobicContact CB-CG1 4.34Å; N188-V249 WeakPolarHBondContact CB-O 3.44Å; N188-V249 PolarHBondContact ND2-O 2.77Å; N188-F251 HydrophobicContact CB-CB 4.06Å |
| 189 | L | 91.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.1 | -175.2 | 63.7 | 0 | 0 | 0 | 110.9 | S185 D186 K191 N192 I193 C219 V249 | S185-L189 WeakPolarHBondContact O-CB 3.26Å; S185-L189 PolarHBondContact O-N 2.68Å; D186-L189 WeakPolarHBondContact O-CB 3.08Å; D186-L189 PolarHBondContact O-N 2.75Å; D186-L189 VanDerWaalsContact O-N 3.14Å; L189-K191 PolarHBondContact O-N 3.24Å; L189-N192 WeakPolarHBondContact O-CB 3.34Å; L189-N192 PolarHBondContact O-N 3.14Å; L189-I193 HydrophobicContact CG-CD1 4.35Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 2.77Å; L189-C219 HydrophobicContact CD1-CB 3.78Å; L189-V249 HydrophobicContact CB-CG1 4.3Å |
| 190 | L | 93.1 | Very high | 89.2 | Confident | 89 Ų | 89 | 45 Ų | 45 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.5 | -67.4 | 175.2 | 0 | 0 | 0 | 111.8 | D186 D187 N192 I193 E194 | D186-L190 WeakPolarHBondContact O-CG 3.42Å; D186-L190 PolarHBondContact O-N 3.02Å; D187-L190 PolarHBondContact O-N 3.27Å; L190-N192 VanDerWaalsContact C-N 3.34Å; L190-N192 PolarHBondContact O-N 3.03Å; L190-I193 PolarHBondContact O-N 2.92Å; L190-E194 WeakPolarHBondContact O-CB 3.2Å; L190-E194 PolarHBondContact O-N 2.93Å |
| 191 | K | 95.4 | Very high | 90.8 | Very high | 91 Ų | 91 | 49.6 Ų | 49.6 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 173.9 | -71.6 | 172.2 | -172.4 | 170.1 | 0 | 112.9 | D187 N188 L189 E194 L195 F251 | D187-K191 WeakPolarHBondContact O-CG 3.47Å; D187-K191 PolarHBondContact O-N 2.98Å; N188-K191 PolarHBondContact O-N 3.38Å; L189-K191 PolarHBondContact O-N 3.24Å; K191-E194 PolarHBondContact O-N 3.17Å; K191-L195 VanDerWaalsContact O-CB 3.29Å; K191-L195 WeakPolarHBondContact O-CB 3.28Å; K191-L195 PolarHBondContact O-N 2.97Å; K191-F251 HydrophobicContact CB-CB 4.44Å; K191-F251 HydrophobicContact CB-CD1 3.85Å; K191-F251 HydrophobicContact CB-CD2 3.75Å; K191-F251 HydrophobicContact CB-CE1 3.94Å; K191-F251 HydrophobicContact CB-CE2 3.86Å; K191-F251 HydrophobicContact CB-CG 3.74Å; K191-F251 HydrophobicContact CB-CZ 3.95Å; K191-F251 HydrophobicContact CD-CD1 3.75Å; K191-F251 HydrophobicContact CD-CE1 4.16Å; K191-F251 HydrophobicContact CD-CG 4.2Å; K191-F251 HydrophobicContact CG-CD1 4.38Å; K191-F251 HydrophobicContact CG-CE1 4.47Å; K191-F251 WeakPolarHBondContact O-CE2 3.5Å |
| 192 | N | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 173.6 | -82.3 | -83.9 | 0 | 0 | 0 | 111.3 | N188 L189 L190 L195 F196 W221 C235 E250 I256 | N188-N192 PolarHBondContact O-N 3.24Å; N188-N192 PolarHBondContact O-ND2 3.49Å; L189-N192 WeakPolarHBondContact O-CB 3.34Å; L189-N192 PolarHBondContact O-N 3.14Å; L190-N192 VanDerWaalsContact C-N 3.34Å; L190-N192 PolarHBondContact O-N 3.03Å; N192-L195 PolarHBondContact O-N 3.46Å; N192-F196 PolarHBondContact O-N 2.98Å; N192-W221 WeakPolarHBondContact O-CZ2 3.22Å; N192-W221 PolarHBondContact OD1-NE1 3.35Å; N192-C235 PolarHBondContact OD1-SG 3.08Å; N192-E250 PolarHBondContact ND2-O 3.1Å; N192-E250 VanDerWaalsContact ND2-O 3.08Å; N192-I256 WeakPolarHBondContact OD1-CD1 3.46Å |
| 193 | I | 95.6 | Very high | 93 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.4 | -65 | 165.6 | 0 | 0 | 0 | 110.8 | L170 Y172 L189 L190 L195 F196 D197 | L170-I193 HydrophobicContact CD2-CG1 4.35Å; Y172-I193 HydrophobicContact CD2-CD1 4.17Å; L189-I193 HydrophobicContact CG-CD1 4.35Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 2.77Å; L190-I193 PolarHBondContact O-N 2.92Å; I193-L195 PolarHBondContact O-N 3.12Å; I193-F196 WeakPolarHBondContact O-CB 3.28Å; I193-F196 PolarHBondContact O-N 3.27Å; I193-D197 PolarHBondContact O-N 3.16Å |
| 194 | E | 96.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.3 | -168.2 | -158.7 | 139.7 | 0 | 0 | 111.6 | L190 K191 F196 D197 R198 | L190-E194 WeakPolarHBondContact O-CB 3.2Å; L190-E194 PolarHBondContact O-N 2.93Å; K191-E194 PolarHBondContact O-N 3.17Å; E194-F196 VanDerWaalsContact C-N 3.31Å; E194-F196 PolarHBondContact O-N 3.18Å; E194-D197 PolarHBondContact O-N 3.17Å; E194-R198 WeakPolarHBondContact O-CB 3.4Å; E194-R198 PolarHBondContact O-N 3.3Å; E194-R198 IonicContact OE1-CZ 2.74Å; E194-R198 IonicContact OE1-NH2 2.64Å; E194-R198 PolarHBondContact OE1-NH2 3.09Å |
| 195 | L | 97.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 176.5 | 176.9 | 59.1 | 0 | 0 | 0 | 111.3 | K191 N192 I193 R198 L199 W221 F251 E253 I256 Y257 | K191-L195 VanDerWaalsContact O-CB 3.29Å; K191-L195 WeakPolarHBondContact O-CB 3.28Å; K191-L195 PolarHBondContact O-N 2.97Å; N192-L195 PolarHBondContact O-N 3.46Å; I193-L195 PolarHBondContact O-N 3.12Å; L195-R198 PolarHBondContact O-N 3.39Å; L195-L199 HydrophobicContact CD1-CD1 4.03Å; L195-L199 HydrophobicContact CD1-CG 4.01Å; L195-L199 HydrophobicContact CG-CD1 3.98Å; L195-L199 HydrophobicContact CG-CG 4.4Å; L195-L199 WeakPolarHBondContact O-CB 3.3Å; L195-L199 VanDerWaalsContact O-CG 3.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.7Å; L195-W221 HydrophobicContact CB-CZ2 4.47Å; L195-W221 HydrophobicContact CD2-CH2 4.47Å; L195-W221 HydrophobicContact CD2-CZ2 4.37Å; L195-W221 HydrophobicContact CG-CH2 4.18Å; L195-W221 HydrophobicContact CG-CZ2 4.39Å; L195-F251 HydrophobicContact CB-CE2 3.99Å; L195-F251 HydrophobicContact CB-CZ 4.26Å; L195-F251 HydrophobicContact CD2-CE2 3.69Å; L195-F251 HydrophobicContact CD2-CZ 4Å; L195-F251 HydrophobicContact CG-CE2 4.48Å; L195-E253 HydrophobicContact CD2-CG 4.27Å; L195-I256 HydrophobicContact CD2-CB 3.94Å; L195-I256 HydrophobicContact CD2-CD1 4.04Å; L195-I256 HydrophobicContact CD2-CG2 3.64Å; L195-I256 HydrophobicContact CG-CG2 4.39Å; L195-Y257 HydrophobicContact CD1-CD2 4.12Å; L195-Y257 HydrophobicContact CD1-CE1 4.15Å; L195-Y257 HydrophobicContact CD1-CE2 3.32Å; L195-Y257 VanDerWaalsContact CD1-OH 3.25Å; L195-Y257 WeakPolarHBondContact CD1-OH 3.38Å; L195-Y257 HydrophobicContact CD2-CE2 4.33Å; L195-Y257 HydrophobicContact CG-CE2 4.48Å |
| 196 | F | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 176.5 | 179 | -87.2 | 0 | 0 | 0 | 111.7 | I147 L170 N192 I193 E194 R198 L199 S200 F209 F210 K211 W221 | I147-F196 HydrophobicContact CD1-CE1 3.89Å; I147-F196 HydrophobicContact CG2-CE1 3.72Å; I147-F196 HydrophobicContact CG2-CZ 4.03Å; L170-F196 HydrophobicContact CB-CB 4.48Å; L170-F196 HydrophobicContact CB-CD2 3.33Å; L170-F196 HydrophobicContact CB-CE2 3.57Å; L170-F196 HydrophobicContact CB-CG 3.94Å; L170-F196 HydrophobicContact CB-CZ 4.36Å; L170-F196 HydrophobicContact CD2-CB 3.63Å; L170-F196 HydrophobicContact CD2-CD2 4.09Å; L170-F196 HydrophobicContact CD2-CG 3.84Å; L170-F196 HydrophobicContact CG-CD2 4.33Å; N192-F196 PolarHBondContact O-N 2.98Å; I193-F196 WeakPolarHBondContact O-CB 3.28Å; I193-F196 PolarHBondContact O-N 3.27Å; E194-F196 VanDerWaalsContact C-N 3.31Å; E194-F196 PolarHBondContact O-N 3.18Å; F196-R198 VanDerWaalsContact C-N 3.33Å; F196-R198 PolarHBondContact O-N 2.8Å; F196-L199 PolarHBondContact O-N 2.77Å; F196-S200 WeakPolarHBondContact O-CB 3.48Å; F196-S200 PolarHBondContact O-N 3.24Å; F196-S200 PolarHBondContact O-OG 2.77Å; F196-F209 HydrophobicContact CD2-CD1 4.17Å; F196-F209 HydrophobicContact CE1-CB 4.32Å; F196-F209 HydrophobicContact CE2-CB 4.17Å; F196-F209 AromaticContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CG 4.46Å; F196-F209 HydrophobicContact CZ-CB 3.69Å; F196-F209 HydrophobicContact CZ-CD1 4.1Å; F196-F209 HydrophobicContact CZ-CG 4.39Å; F196-F210 WeakPolarHBondContact CZ-O 3.5Å; F196-K211 HydrophobicContact CD1-CG 4.35Å; F196-K211 HydrophobicContact CE1-CD 4.14Å; F196-K211 HydrophobicContact CE1-CG 3.72Å; F196-K211 HydrophobicContact CZ-CG 3.95Å; F196-W221 VanDerWaalsContact CA-CH2 3.46Å; F196-W221 HydrophobicContact CB-CH2 3.51Å; F196-W221 HydrophobicContact CB-CZ2 4.01Å; F196-W221 HydrophobicContact CB-CZ3 4.2Å; F196-W221 HydrophobicContact CD2-CE3 4.44Å; F196-W221 AromaticContact CD2-CH2 3.97Å; F196-W221 HydrophobicContact CD2-CH2 3.97Å; F196-W221 AromaticContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CG-CH2 4.24Å; F196-W221 HydrophobicContact CG-CZ3 4.47Å |
| 197 | D | 95.8 | Very high | 93.8 | Very high | 57 Ų | 57 | 50.6 Ų | 50.6 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 178.8 | -68.6 | -16.7 | 0 | 0 | 0 | 110.2 | I193 E194 L199 S200 L201 K211 | I193-D197 PolarHBondContact O-N 3.16Å; E194-D197 PolarHBondContact O-N 3.17Å; D197-L199 PolarHBondContact O-N 3.41Å; D197-S200 PolarHBondContact O-N 3.12Å; D197-S200 PolarHBondContact O-OG 3.2Å; D197-L201 WeakPolarHBondContact O-CG 3.48Å; D197-L201 PolarHBondContact O-N 2.98Å; D197-K211 WeakPolarHBondContact OD1-CE 3.36Å; D197-K211 IonicContact OD1-NZ 3.75Å; D197-K211 PolarHBondContact OD1-NZ 3.22Å; D197-K211 IonicContact OD2-NZ 3.04Å |
| 198 | R | 95.6 | Very high | 94 | Very high | 104 Ų | 104 | 48.8 Ų | 48.8 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.1 | -165.6 | -171 | -56 | 160.5 | 4.2 | 112.9 | E194 L195 F196 S202 Y257 | E194-R198 WeakPolarHBondContact O-CB 3.4Å; E194-R198 PolarHBondContact O-N 3.3Å; E194-R198 IonicContact OE1-CZ 2.74Å; E194-R198 IonicContact OE1-NH2 2.64Å; E194-R198 PolarHBondContact OE1-NH2 3.09Å; L195-R198 PolarHBondContact O-N 3.39Å; F196-R198 VanDerWaalsContact C-N 3.33Å; F196-R198 PolarHBondContact O-N 2.8Å; R198-S202 WeakPolarHBondContact O-CB 3.48Å; R198-S202 PolarHBondContact O-N 3.33Å; R198-S202 PolarHBondContact O-OG 3.45Å; R198-Y257 PolarHBondContact NH1-OH 2.85Å |
| 199 | L | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.3 | -72.9 | 174.2 | 0 | 0 | 0 | 111.3 | L195 F196 D197 L201 S202 F203 F209 W221 I256 Y257 T260 | L195-L199 HydrophobicContact CD1-CD1 4.03Å; L195-L199 HydrophobicContact CD1-CG 4.01Å; L195-L199 HydrophobicContact CG-CD1 3.98Å; L195-L199 HydrophobicContact CG-CG 4.4Å; L195-L199 WeakPolarHBondContact O-CB 3.3Å; L195-L199 VanDerWaalsContact O-CG 3.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.7Å; F196-L199 PolarHBondContact O-N 2.77Å; D197-L199 PolarHBondContact O-N 3.41Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.27Å; L199-S202 PolarHBondContact O-N 3.43Å; L199-F203 HydrophobicContact CD2-CD2 4.08Å; L199-F203 HydrophobicContact CD2-CE2 3.78Å; L199-F203 WeakPolarHBondContact O-CD2 3.33Å; L199-F203 PolarHBondContact O-N 3.4Å; L199-F209 HydrophobicContact CB-CE1 3.8Å; L199-F209 HydrophobicContact CB-CZ 3.93Å; L199-W221 HydrophobicContact CD1-CH2 4.1Å; L199-W221 HydrophobicContact CD1-CZ3 4.05Å; L199-I256 HydrophobicContact CD1-CG2 4.18Å; L199-Y257 HydrophobicContact CD2-CD1 3.84Å; L199-Y257 HydrophobicContact CD2-CE1 3.53Å; L199-Y257 HydrophobicContact CG-CE1 4.41Å; L199-T260 HydrophobicContact CD1-CG2 4.29Å; L199-T260 HydrophobicContact CD2-CG2 4.23Å |
| 200 | S | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 178.6 | 76.3 | 0 | 0 | 0 | 0 | 111.9 | I147 F196 D197 N204 | I147-S200 VanDerWaalsContact CD1-OG 3.28Å; I147-S200 WeakPolarHBondContact CD1-OG 3.38Å; F196-S200 WeakPolarHBondContact O-CB 3.48Å; F196-S200 PolarHBondContact O-N 3.24Å; F196-S200 PolarHBondContact O-OG 2.77Å; D197-S200 PolarHBondContact O-N 3.12Å; D197-S200 PolarHBondContact O-OG 3.2Å; S200-N204 VanDerWaalsContact O-CA 3.28Å; S200-N204 WeakPolarHBondContact O-CA 3.4Å; S200-N204 WeakPolarHBondContact O-CB 3.2Å; S200-N204 PolarHBondContact O-N 2.91Å |
| 201 | L | 92.6 | Very high | 94.5 | Very high | 109 Ų | 109 | 45.1 Ų | 45.1 | 57% | 0.571 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.2 | -41.1 | 175.3 | -69.9 | 172.4 | 0 | 0 | 0 | 111.9 | C145 D197 L199 N204 | C145-L201 HydrophobicContact CB-CD2 4.19Å; D197-L201 WeakPolarHBondContact O-CG 3.48Å; D197-L201 PolarHBondContact O-N 2.98Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.27Å; L201-N204 PolarHBondContact O-ND2 3.19Å |
| 202 | S | 92.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 40.9 Ų | 40.9 | 57% | 0.573 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -71.2 | -32.9 | -176.9 | -56.9 | 0 | 0 | 0 | 0 | 113 | R198 L199 | R198-S202 WeakPolarHBondContact O-CB 3.48Å; R198-S202 PolarHBondContact O-N 3.33Å; R198-S202 PolarHBondContact O-OG 3.45Å; L199-S202 PolarHBondContact O-N 3.43Å |
| 203 | F | 92.6 | Very high | 94 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -120.7 | 13.1 | -172.1 | -60.4 | -75.6 | 0 | 0 | 0 | 114.3 | L199 S205 R206 V207 F209 L261 L264 | L199-F203 HydrophobicContact CD2-CD2 4.08Å; L199-F203 HydrophobicContact CD2-CE2 3.78Å; L199-F203 WeakPolarHBondContact O-CD2 3.33Å; L199-F203 PolarHBondContact O-N 3.4Å; F203-S205 PolarHBondContact O-N 2.98Å; F203-R206 PolarHBondContact O-N 3.32Å; F203-V207 HydrophobicContact CB-CB 4.28Å; F203-V207 HydrophobicContact CB-CG2 4.11Å; F203-V207 PolarHBondContact O-N 2.93Å; F203-F209 HydrophobicContact CB-CE2 3.87Å; F203-F209 HydrophobicContact CB-CZ 4.15Å; F203-L261 HydrophobicContact CZ-CD2 4.1Å; F203-L264 HydrophobicContact CD1-CD1 4.33Å; F203-L264 HydrophobicContact CE1-CD1 4.06Å |
| 204 | N | 87.9 | Confident | 93.5 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -32.5 | -176.7 | 66.2 | 73.3 | 0 | 0 | 0 | 114.7 | C145 S200 L201 | C145-N204 HydrophobicContact CB-CB 4.08Å; S200-N204 VanDerWaalsContact O-CA 3.28Å; S200-N204 WeakPolarHBondContact O-CA 3.4Å; S200-N204 WeakPolarHBondContact O-CB 3.2Å; S200-N204 PolarHBondContact O-N 2.91Å; L201-N204 PolarHBondContact O-ND2 3.19Å |
| 205 | S | 87.6 | Confident | 92.7 | Very high | 86 Ų | 86 | 39.7 Ų | 39.7 | 60% | 0.601 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -24.3 | -177.2 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | K165 F203 | K165-S205 WeakPolarHBondContact CE-O 3.03Å; K165-S205 PolarHBondContact NZ-O 3.15Å; F203-S205 PolarHBondContact O-N 2.98Å |
| 206 | R | 91.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 45.3 Ų | 45.3 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -30.9 | -170 | -61 | -178.7 | 63.2 | -161.9 | -1.3 | 113.8 | P166 F203 L264 E267 | P166-R206 WeakPolarHBondContact CD-O 3.43Å; F203-R206 PolarHBondContact O-N 3.32Å; R206-L264 HydrophobicContact CB-CD2 4.27Å; R206-E267 WeakPolarHBondContact CB-OE1 3.31Å; R206-E267 VanDerWaalsContact CG-OE1 3.25Å; R206-E267 WeakPolarHBondContact CG-OE1 3.21Å; R206-E267 IonicContact CZ-OE2 2.78Å; R206-E267 IonicContact NE-OE1 3.73Å; R206-E267 PolarHBondContact NE-OE1 2.9Å; R206-E267 VanDerWaalsContact NE-OE1 3.11Å; R206-E267 IonicContact NE-OE2 3.78Å; R206-E267 PolarHBondContact NE-OE2 2.85Å; R206-E267 IonicContact NH2-OE2 2.68Å; R206-E267 PolarHBondContact NH2-OE2 2.98Å |
| 207 | V | 94.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -124.2 | 136.8 | -176.5 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | P166 V168 F203 F209 L264 | P166-V207 HydrophobicContact CG-CG2 4.04Å; P166-V207 WeakPolarHBondContact O-CA 3.44Å; V168-V207 HydrophobicContact CB-CG1 4.17Å; V168-V207 HydrophobicContact CG2-CG1 3.66Å; F203-V207 HydrophobicContact CB-CB 4.28Å; F203-V207 HydrophobicContact CB-CG2 4.11Å; F203-V207 PolarHBondContact O-N 2.93Å; V207-F209 HydrophobicContact CB-CD2 4.11Å; V207-F209 HydrophobicContact CB-CE2 3.5Å; V207-F209 HydrophobicContact CB-CZ 4.05Å; V207-F209 HydrophobicContact CG1-CD2 3.93Å; V207-F209 HydrophobicContact CG1-CE1 4.38Å; V207-F209 HydrophobicContact CG1-CE2 3.54Å; V207-F209 HydrophobicContact CG1-CZ 3.78Å; V207-F209 HydrophobicContact CG2-CE2 4.48Å; V207-F209 WeakPolarHBondContact O-CD2 3.41Å; V207-L264 HydrophobicContact CG2-CD2 3.39Å |
| 208 | L | 94.8 | Very high | 91.2 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.9 | 169.8 | 176.5 | 63.3 | 0 | 0 | 0 | 109.3 | P166 V167 V168 | P166-L208 PolarHBondContact O-N 2.72Å; V167-L208 CarbonylContact C-O 3.57Å; V167-L208 VanDerWaalsContact CA-O 3.25Å; V167-L208 WeakPolarHBondContact CA-O 3.28Å; V167-L208 HydrophobicContact CG2-CB 4.24Å; V167-L208 HydrophobicContact CG2-CD2 4.26Å; V168-L208 PolarHBondContact N-O 3.34Å |
| 209 | F | 96.7 | Very high | 91 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.5 | 176.4 | -71 | -95.9 | 0 | 0 | 0 | 110.4 | P148 V168 F196 L199 F203 V207 | P148-F209 VanDerWaalsContact CD-O 3.3Å; P148-F209 WeakPolarHBondContact CD-O 3.35Å; V168-F209 HydrophobicContact CB-CD1 3.7Å; V168-F209 HydrophobicContact CB-CE1 3.66Å; V168-F209 HydrophobicContact CB-CG 4.49Å; V168-F209 HydrophobicContact CB-CZ 4.44Å; V168-F209 HydrophobicContact CG1-CD1 3.93Å; V168-F209 HydrophobicContact CG1-CE1 3.83Å; V168-F209 HydrophobicContact CG2-CE1 4.09Å; V168-F209 HydrophobicContact CG2-CZ 4.49Å; V168-F209 WeakPolarHBondContact O-CA 3.49Å; F196-F209 HydrophobicContact CD2-CD1 4.17Å; F196-F209 HydrophobicContact CE1-CB 4.32Å; F196-F209 HydrophobicContact CE2-CB 4.17Å; F196-F209 AromaticContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CG 4.46Å; F196-F209 HydrophobicContact CZ-CB 3.69Å; F196-F209 HydrophobicContact CZ-CD1 4.1Å; F196-F209 HydrophobicContact CZ-CG 4.39Å; L199-F209 HydrophobicContact CB-CE1 3.8Å; L199-F209 HydrophobicContact CB-CZ 3.93Å; F203-F209 HydrophobicContact CB-CE2 3.87Å; F203-F209 HydrophobicContact CB-CZ 4.15Å; V207-F209 HydrophobicContact CB-CD2 4.11Å; V207-F209 HydrophobicContact CB-CE2 3.5Å; V207-F209 HydrophobicContact CB-CZ 4.05Å; V207-F209 HydrophobicContact CG1-CD2 3.93Å; V207-F209 HydrophobicContact CG1-CE1 4.38Å; V207-F209 HydrophobicContact CG1-CE2 3.54Å; V207-F209 HydrophobicContact CG1-CZ 3.78Å; V207-F209 HydrophobicContact CG2-CE2 4.48Å; V207-F209 WeakPolarHBondContact O-CD2 3.41Å |
| 210 | F | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 159.2 | 169.7 | 62.6 | -106.2 | 0 | 0 | 0 | 113 | P148 I150 E156 L159 V160 V167 V168 K169 L170 F196 | P148-F210 HydrophobicContact CB-CB 4.08Å; P148-F210 HydrophobicContact CG-CB 4.33Å; P148-F210 WeakPolarHBondContact O-CA 3.34Å; P148-F210 WeakPolarHBondContact O-CB 3.35Å; I150-F210 HydrophobicContact CD1-CB 4.31Å; I150-F210 HydrophobicContact CD1-CD2 4.05Å; I150-F210 HydrophobicContact CD1-CG 4.27Å; I150-F210 HydrophobicContact CG1-CB 4.34Å; I150-F210 HydrophobicContact CG1-CD2 3.38Å; I150-F210 HydrophobicContact CG1-CE2 3.76Å; I150-F210 HydrophobicContact CG1-CG 4.07Å; E156-F210 HydrophobicContact CG-CE2 4.32Å; E156-F210 HydrophobicContact CG-CZ 4.15Å; L159-F210 HydrophobicContact CB-CE1 4.3Å; L159-F210 HydrophobicContact CD1-CD1 4.45Å; V160-F210 HydrophobicContact CG2-CE1 4.24Å; V160-F210 HydrophobicContact CG2-CZ 4.04Å; V167-F210 HydrophobicContact CG1-CD1 3.65Å; V167-F210 HydrophobicContact CG1-CE1 3.09Å; V167-F210 HydrophobicContact CG1-CZ 3.9Å; V168-F210 PolarHBondContact O-N 3.23Å; V168-F210 VanDerWaalsContact O-N 3.1Å; K169-F210 WeakPolarHBondContact CA-O 3.46Å; K169-F210 HydrophobicContact CB-CD2 4.03Å; K169-F210 HydrophobicContact CB-CE2 3.6Å; K169-F210 HydrophobicContact CB-CZ 3.92Å; K169-F210 HydrophobicContact CD-CD2 4.12Å; K169-F210 HydrophobicContact CD-CE2 3.27Å; K169-F210 HydrophobicContact CD-CZ 3.95Å; K169-F210 HydrophobicContact CG-CD2 3.76Å; K169-F210 HydrophobicContact CG-CE2 3.35Å; K169-F210 HydrophobicContact CG-CZ 4.14Å; L170-F210 PolarHBondContact N-O 3.45Å; F196-F210 WeakPolarHBondContact CZ-O 3.5Å |
| 211 | K | 95.8 | Very high | 91 | Very high | 25 Ų | 25 | 42 Ų | 42 | 11% | 0.109 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138 | -177.9 | -76.5 | 176.5 | -179.7 | -179.8 | 0 | 110.1 | I147 P148 V149 I150 L170 Y172 F196 D197 | I147-K211 HydrophobicContact CG2-CD 4.23Å; I147-K211 HydrophobicContact CG2-CG 4.04Å; P148-K211 PolarHBondContact O-N 3.17Å; V149-K211 CarbonylContact C-O 3.53Å; V149-K211 WeakPolarHBondContact CA-O 3.49Å; V149-K211 HydrophobicContact CG2-CB 4.3Å; I150-K211 PolarHBondContact N-O 3.32Å; L170-K211 CarbonylContact O-C 3.53Å; L170-K211 WeakPolarHBondContact O-CA 3.39Å; Y172-K211 HydrophobicContact CE1-CB 3.94Å; Y172-K211 HydrophobicContact CE1-CD 3.81Å; Y172-K211 HydrophobicContact CE1-CG 3.9Å; F196-K211 HydrophobicContact CD1-CG 4.35Å; F196-K211 HydrophobicContact CE1-CD 4.14Å; F196-K211 HydrophobicContact CE1-CG 3.72Å; F196-K211 HydrophobicContact CZ-CG 3.95Å; D197-K211 WeakPolarHBondContact OD1-CE 3.36Å; D197-K211 IonicContact OD1-NZ 3.75Å; D197-K211 PolarHBondContact OD1-NZ 3.22Å; D197-K211 IonicContact OD2-NZ 3.04Å |
| 212 | D | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.4 | 176.8 | 176.1 | -5.4 | 0 | 0 | 0 | 109.1 | K169 L170 L171 Y172 I214 G215 | K169-D212 HydrophobicContact CD-CB 3.94Å; K169-D212 HydrophobicContact CG-CB 4.08Å; K169-D212 IonicContact NZ-OD2 3.99Å; K169-D212 PolarHBondContact NZ-OD2 2.96Å; L170-D212 PolarHBondContact O-N 2.83Å; L171-D212 VanDerWaalsContact CA-O 3.29Å; L171-D212 WeakPolarHBondContact CA-O 3.37Å; L171-D212 HydrophobicContact CB-CB 4.12Å; L171-D212 HydrophobicContact CG-CB 4.36Å; Y172-D212 PolarHBondContact N-O 2.91Å; D212-I214 WeakPolarHBondContact OD1-CG1 3.5Å; D212-I214 PolarHBondContact OD1-N 3Å; D212-G215 PolarHBondContact OD1-N 3.04Å |
| 213 | V | 87.9 | Confident | 91.5 | Very high | 55 Ų | 55 | 33.1 Ų | 33.1 | 33% | 0.333 | 17% | 0.173 | S | C | . | . | trans | -113.2 | 2.7 | -176.5 | -62.8 | 0 | 0 | 0 | 0 | 113 | V149 Y172 | V149-V213 HydrophobicContact CG1-CG1 3.93Å; V149-V213 HydrophobicContact CG1-CG2 3.96Å; Y172-V213 HydrophobicContact CE1-CG1 4.15Å; Y172-V213 HydrophobicContact CE2-CG1 4.49Å | ||
| 214 | I | 83.4 | Confident | 91.6 | Very high | 61 Ų | 61 | 31.6 Ų | 31.6 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -103.9 | -17.4 | -173.2 | 58.2 | 159.7 | 0 | 0 | 0 | 113.7 | Y153 D212 | Y153-I214 HydrophobicContact CD2-CD1 4.24Å; Y153-I214 HydrophobicContact CE2-CD1 4.22Å; Y153-I214 HydrophobicContact CG-CD1 4.4Å; D212-I214 WeakPolarHBondContact OD1-CG1 3.5Å; D212-I214 PolarHBondContact OD1-N 3Å |
| 215 | G | 81.7 | Confident | 91.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -66.7 | 157.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N173 D212 E217 | N173-G215 PolarHBondContact ND2-O 2.91Å; D212-G215 PolarHBondContact OD1-N 3.04Å; G215-E217 VanDerWaalsContact C-N 3.32Å |
| 216 | D | 83.4 | Confident | 91.7 | Very high | 119 Ų | 119 | 28.1 Ų | 28.1 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -82.7 | -6.4 | 179.9 | -164.7 | 37.3 | 0 | 0 | 0 | 113 | N176 | N176-D216 PolarHBondContact ND2-O 2.89Š|
| 217 | E | 86.6 | Confident | 91.5 | Very high | 81 Ų | 81 | 25 Ų | 25 | 38% | 0.379 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -83.5 | 154.5 | 172.7 | -63.3 | -137.8 | 159.5 | 0 | 0 | 111.7 | L171 N173 G215 C220 | L171-E217 HydrophobicContact CD1-CB 4.46Å; L171-E217 HydrophobicContact CD2-CB 3.93Å; L171-E217 WeakPolarHBondContact CD2-O 3.29Å; N173-E217 VanDerWaalsContact CB-O 3.32Å; N173-E217 WeakPolarHBondContact CB-O 3.35Å; G215-E217 VanDerWaalsContact C-N 3.32Å; E217-C220 HydrophobicContact CB-CB 4.36Å; E217-C220 WeakPolarHBondContact OE2-CB 3.43Å |
| 218 | I | 88.7 | Confident | 91.2 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.046 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -76.3 | -45.8 | 177.6 | -58.2 | 170.6 | 0 | 0 | 0 | 110.3 | Y172 N173 N176 Y181 T236 T247 V249 | Y172-I218 CarbonylContact C-O 3.52Å; Y172-I218 WeakPolarHBondContact CA-O 3.32Å; N173-I218 PolarHBondContact N-O 3.42Å; N176-I218 HydrophobicContact CB-CG1 4.39Å; Y181-I218 HydrophobicContact CE1-CG2 4.38Å; I218-T236 HydrophobicContact CB-CG2 3.94Å; I218-T236 HydrophobicContact CD1-CG2 4.39Å; I218-T236 HydrophobicContact CG1-CG2 4.49Å; I218-T247 HydrophobicContact CD1-CG2 3.94Å; I218-V249 HydrophobicContact CB-CG2 4.45Å; I218-V249 HydrophobicContact CG2-CG2 3.66Å |
| 219 | C | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 122.4 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | L171 L189 C235 V249 | L171-C219 VanDerWaalsContact O-CA 3.28Å; L171-C219 WeakPolarHBondContact O-CA 3.08Å; L189-C219 HydrophobicContact CD1-CB 3.78Å; C219-C235 HydrophobicContact CB-CB 3.88Å; C219-C235 WeakPolarHBondContact O-CB 3.11Å; C219-C235 PolarHBondContact O-N 2.84Å; C219-V249 HydrophobicContact CB-CG1 4.29Å |
| 220 | C | 94.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 134.5 | 180 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | L171 E217 | L171-C220 HydrophobicContact CB-CB 4.32Å; L171-C220 WeakPolarHBondContact CB-O 3.4Å; L171-C220 PolarHBondContact N-O 3.08Å; L171-C220 PolarHBondContact O-N 2.97Å; E217-C220 HydrophobicContact CB-CB 4.36Å; E217-C220 WeakPolarHBondContact OE2-CB 3.43Å |
| 221 | W | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.4 | 171.7 | -67.5 | 71.3 | 0 | 0 | 0 | 109.6 | V168 K169 L170 N192 L195 F196 L199 F223 E232 V233 C235 I256 | V168-W221 HydrophobicContact CG1-CE3 3.77Å; V168-W221 HydrophobicContact CG1-CZ3 3.89Å; K169-W221 WeakPolarHBondContact O-CA 3.38Å; L170-W221 HydrophobicContact CD1-CD2 4.05Å; L170-W221 HydrophobicContact CD1-CG 4.17Å; L170-W221 HydrophobicContact CD1-CZ2 4.25Å; N192-W221 WeakPolarHBondContact O-CZ2 3.22Å; N192-W221 PolarHBondContact OD1-NE1 3.35Å; L195-W221 HydrophobicContact CB-CZ2 4.47Å; L195-W221 HydrophobicContact CD2-CH2 4.47Å; L195-W221 HydrophobicContact CD2-CZ2 4.37Å; L195-W221 HydrophobicContact CG-CH2 4.18Å; L195-W221 HydrophobicContact CG-CZ2 4.39Å; F196-W221 VanDerWaalsContact CA-CH2 3.46Å; F196-W221 HydrophobicContact CB-CH2 3.51Å; F196-W221 HydrophobicContact CB-CZ2 4.01Å; F196-W221 HydrophobicContact CB-CZ3 4.2Å; F196-W221 HydrophobicContact CD2-CE3 4.44Å; F196-W221 AromaticContact CD2-CH2 3.97Å; F196-W221 HydrophobicContact CD2-CH2 3.97Å; F196-W221 AromaticContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CG-CH2 4.24Å; F196-W221 HydrophobicContact CG-CZ3 4.47Å; L199-W221 HydrophobicContact CD1-CH2 4.1Å; L199-W221 HydrophobicContact CD1-CZ3 4.05Å; W221-F223 HydrophobicContact CB-CE2 3.68Å; W221-F223 HydrophobicContact CB-CZ 3.79Å; W221-F223 HydrophobicContact CE3-CE1 4.49Å; W221-F223 HydrophobicContact CE3-CZ 4.18Å; W221-F223 HydrophobicContact CG-CZ 4.5Å; W221-E232 CarbonylContact O-C 3.56Å; W221-E232 WeakPolarHBondContact O-CA 3.22Å; W221-V233 HydrophobicContact CB-CB 4.28Å; W221-V233 PolarHBondContact N-O 2.87Å; W221-V233 PolarHBondContact O-N 3.37Å; W221-C235 VanDerWaalsContact CD1-SG 3.52Å; W221-I256 HydrophobicContact CD2-CD1 4.37Å; W221-I256 HydrophobicContact CD2-CG1 4.24Å; W221-I256 HydrophobicContact CD2-CG2 3.73Å; W221-I256 HydrophobicContact CE3-CG2 3.64Å; W221-I256 HydrophobicContact CG-CD1 4.44Å; W221-I256 HydrophobicContact CG-CG1 4.2Å; W221-I256 HydrophobicContact CG-CG2 4.46Å; W221-I256 HydrophobicContact CH2-CG2 3.61Å; W221-I256 HydrophobicContact CZ2-CD1 4.14Å; W221-I256 HydrophobicContact CZ2-CG2 3.75Å; W221-I256 HydrophobicContact CZ3-CG2 3.58Å |
| 222 | S | 96.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135.9 | 175.7 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | K169 K229 | K169-S222 PolarHBondContact N-O 3.13Å; K169-S222 PolarHBondContact O-N 3.25Å; S222-K229 VanDerWaalsContact OG-CE 3.27Å; S222-K229 WeakPolarHBondContact OG-CE 3.3Å; S222-K229 PolarHBondContact OG-NZ 3.05Å |
| 223 | F | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.9 | -172.3 | -59.6 | -86.4 | 0 | 0 | 0 | 108.7 | V168 W221 L230 A231 V233 E259 T263 | V168-F223 HydrophobicContact CG1-CD1 4.32Å; V168-F223 HydrophobicContact CG1-CE1 4.04Å; V168-F223 HydrophobicContact CG2-CD1 3.89Å; V168-F223 HydrophobicContact CG2-CE1 4.19Å; W221-F223 HydrophobicContact CB-CE2 3.68Å; W221-F223 HydrophobicContact CB-CZ 3.79Å; W221-F223 HydrophobicContact CE3-CE1 4.49Å; W221-F223 HydrophobicContact CE3-CZ 4.18Å; W221-F223 HydrophobicContact CG-CZ 4.5Å; F223-L230 PolarHBondContact O-N 3.34Å; F223-A231 HydrophobicContact CB-CB 4.3Å; F223-A231 HydrophobicContact CD2-CB 4.08Å; F223-A231 PolarHBondContact N-O 3.27Å; F223-A231 PolarHBondContact O-N 3.48Å; F223-V233 HydrophobicContact CE2-CB 4.47Å; F223-V233 HydrophobicContact CE2-CG2 3.89Å; F223-E259 HydrophobicContact CD1-CB 3.85Å; F223-E259 HydrophobicContact CD2-CB 3.75Å; F223-E259 HydrophobicContact CD2-CG 4.23Å; F223-E259 HydrophobicContact CE1-CB 3.63Å; F223-E259 HydrophobicContact CE2-CB 3.51Å; F223-E259 HydrophobicContact CE2-CG 3.99Å; F223-E259 HydrophobicContact CG-CB 3.92Å; F223-E259 HydrophobicContact CZ-CB 3.45Å; F223-E259 VanDerWaalsContact CZ-CB 3.45Å; F223-E259 HydrophobicContact CZ-CG 4.34Å; F223-T263 HydrophobicContact CB-CG2 3.65Å; F223-T263 HydrophobicContact CD1-CG2 3.74Å; F223-T263 HydrophobicContact CG-CG2 4.14Å |
| 224 | Y | 94.9 | Very high | 91 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 5% | 0.051 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.7 | -179 | -44.7 | -111.8 | 0 | 0 | 0 | 110.4 | E156 V160 P166 V167 K169 R228 K229 | E156-Y224 PolarHBondContact OE1-OH 3.01Å; V160-Y224 HydrophobicContact CB-CD1 4.47Å; V160-Y224 HydrophobicContact CG1-CD1 3.62Å; V160-Y224 HydrophobicContact CG1-CE1 4.27Å; V160-Y224 HydrophobicContact CG1-CG 4.05Å; V160-Y224 HydrophobicContact CG2-CD1 3.96Å; V160-Y224 HydrophobicContact CG2-CD2 4.31Å; V160-Y224 HydrophobicContact CG2-CE1 4.05Å; V160-Y224 HydrophobicContact CG2-CE2 4.44Å; V160-Y224 HydrophobicContact CG2-CG 4.11Å; P166-Y224 WeakPolarHBondContact CA-O 3.5Å; V167-Y224 HydrophobicContact CB-CD2 4.15Å; V167-Y224 HydrophobicContact CB-CG 4.46Å; V167-Y224 HydrophobicContact CG1-CD2 4.09Å; V167-Y224 PolarHBondContact N-O 3.43Å; V167-Y224 PolarHBondContact O-N 3.2Å; K169-Y224 HydrophobicContact CB-CE2 3.99Å; K169-Y224 WeakPolarHBondContact CE-OH 3.39Å; Y224-R228 CarbonylContact C-O 3.58Å; Y224-R228 WeakPolarHBondContact CA-O 3.33Å; Y224-R228 VanDerWaalsContact CB-O 3.25Å; Y224-R228 WeakPolarHBondContact CB-O 3.5Å; Y224-K229 HydrophobicContact CD1-CB 3.84Å; Y224-K229 HydrophobicContact CD1-CG 4.16Å; Y224-K229 HydrophobicContact CE1-CB 3.86Å; Y224-K229 HydrophobicContact CE1-CD 4.26Å; Y224-K229 HydrophobicContact CE1-CG 3.93Å |
| 225 | G | 91.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 132.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G227 R228 | G225-G227 VanDerWaalsContact C-N 3.35Å; G225-G227 PolarHBondContact O-N 3.43Å; G225-R228 PolarHBondContact N-O 3.3Å; G225-R228 WeakPolarHBondContact O-CG 3.46Å; G225-R228 PolarHBondContact O-N 3.08Å |
| 226 | Q | 86.4 | Confident | 91.8 | Very high | 66 Ų | 66 | 25 Ų | 25 | 31% | 0.308 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 48.9 | 178.2 | -59.3 | 157.1 | -13 | 0 | 0 | 113.1 | R228 | Q226-R228 VanDerWaalsContact C-N 3.25Å; Q226-R228 PolarHBondContact O-N 2.89Å |
| 227 | G | 86.9 | Confident | 91.9 | Very high | 33 Ų | 33 | 19.8 Ų | 19.8 | 34% | 0.34 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 0.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | V160 G225 | V160-G227 WeakPolarHBondContact O-CA 3.37Å; G225-G227 VanDerWaalsContact C-N 3.35Å; G225-G227 PolarHBondContact O-N 3.43Å |
| 228 | R | 88.9 | Confident | 91.5 | Very high | 56 Ų | 56 | 21.1 Ų | 21.1 | 21% | 0.211 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 148.1 | -179 | 59 | 171.8 | -166.6 | 165.1 | 19.2 | 112.8 | Y224 G225 Q226 L230 Y266 R303 | Y224-R228 CarbonylContact C-O 3.58Å; Y224-R228 WeakPolarHBondContact CA-O 3.33Å; Y224-R228 VanDerWaalsContact CB-O 3.25Å; Y224-R228 WeakPolarHBondContact CB-O 3.5Å; G225-R228 PolarHBondContact N-O 3.3Å; G225-R228 WeakPolarHBondContact O-CG 3.46Å; G225-R228 PolarHBondContact O-N 3.08Å; Q226-R228 VanDerWaalsContact C-N 3.25Å; Q226-R228 PolarHBondContact O-N 2.89Å; R228-L230 HydrophobicContact CG-CD2 4.24Å; R228-Y266 PolarHBondContact NH2-OH 3Å; R228-Y266 VanDerWaalsContact NH2-OH 3.15Å; R228-R303 VanDerWaalsContact CZ-O 3.28Å; R228-R303 PolarHBondContact NH1-O 3.43Å; R228-R303 PolarHBondContact NH2-O 2.82Å |
| 229 | K | 92.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 21.6 Ų | 21.6 | 27% | 0.265 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 127.6 | 174.2 | -163.4 | 172.5 | -167.4 | 174.8 | 0 | 110 | S222 Y224 E232 V306 | S222-K229 VanDerWaalsContact OG-CE 3.27Å; S222-K229 WeakPolarHBondContact OG-CE 3.3Å; S222-K229 PolarHBondContact OG-NZ 3.05Å; Y224-K229 HydrophobicContact CD1-CB 3.84Å; Y224-K229 HydrophobicContact CD1-CG 4.16Å; Y224-K229 HydrophobicContact CE1-CB 3.86Å; Y224-K229 HydrophobicContact CE1-CD 4.26Å; Y224-K229 HydrophobicContact CE1-CG 3.93Å; K229-E232 WeakPolarHBondContact CE-OE2 3.23Å; K229-E232 IonicContact NZ-OE2 2.76Å; K229-E232 PolarHBondContact NZ-OE2 3.35Å; K229-V306 HydrophobicContact CB-CG2 4.27Å; K229-V306 HydrophobicContact CD-CG1 4.18Å; K229-V306 HydrophobicContact CG-CG1 4.06Å |
| 230 | L | 91.9 | Very high | 89.8 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -43.9 | -178.7 | -57.7 | 176.3 | 0 | 0 | 0 | 111.6 | F223 R228 T263 Y266 R307 | F223-L230 PolarHBondContact O-N 3.34Å; R228-L230 HydrophobicContact CG-CD2 4.24Å; L230-T263 HydrophobicContact CD1-CG2 4.48Å; L230-Y266 HydrophobicContact CD1-CD2 3.45Å; L230-Y266 VanDerWaalsContact CD1-CD2 3.45Å; L230-Y266 HydrophobicContact CD1-CE2 3.48Å; L230-Y266 VanDerWaalsContact CD1-CE2 3.48Å; L230-Y266 HydrophobicContact CD1-CG 4.05Å; L230-Y266 HydrophobicContact CD2-CE1 4.08Å; L230-Y266 HydrophobicContact CD2-CE2 4.03Å; L230-Y266 HydrophobicContact CG-CE2 4.39Å; L230-R307 PolarHBondContact O-N 2.96Å |
| 231 | A | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F223 E259 R307 | F223-A231 HydrophobicContact CB-CB 4.3Å; F223-A231 HydrophobicContact CD2-CB 4.08Å; F223-A231 PolarHBondContact N-O 3.27Å; F223-A231 PolarHBondContact O-N 3.48Å; A231-E259 HydrophobicContact CB-CG 4.42Å; A231-E259 WeakPolarHBondContact CB-OE2 3.37Å; A231-R307 CarbonylContact C-O 3.52Å; A231-R307 WeakPolarHBondContact CA-O 3.32Å; A231-R307 HydrophobicContact CB-CB 4.03Å |
| 232 | E | 95.3 | Very high | 87 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141.7 | 165.6 | 63 | -168.2 | -167.7 | 0 | 0 | 110.6 | W221 K229 R307 R308 I309 | W221-E232 CarbonylContact O-C 3.56Å; W221-E232 WeakPolarHBondContact O-CA 3.22Å; K229-E232 WeakPolarHBondContact CE-OE2 3.23Å; K229-E232 IonicContact NZ-OE2 2.76Å; K229-E232 PolarHBondContact NZ-OE2 3.35Å; E232-R307 PolarHBondContact N-O 3.45Å; E232-R308 HydrophobicContact CG-CB 4.2Å; E232-R308 HydrophobicContact CG-CG 3.93Å; E232-R308 WeakPolarHBondContact OE1-CD 3.33Å; E232-R308 WeakPolarHBondContact OE1-CG 3.43Å; E232-R308 IonicContact OE1-CZ 2.83Å; E232-R308 IonicContact OE1-NE 2.91Å; E232-R308 PolarHBondContact OE1-NE 2.93Å; E232-I309 PolarHBondContact O-N 3.01Å |
| 233 | V | 95.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 106.6 | 173.2 | 179 | 0 | 0 | 0 | 0 | 107.2 | W221 F223 C235 P252 I256 E259 I309 I311 | W221-V233 HydrophobicContact CB-CB 4.28Å; W221-V233 PolarHBondContact N-O 2.87Å; W221-V233 PolarHBondContact O-N 3.37Å; F223-V233 HydrophobicContact CE2-CB 4.47Å; F223-V233 HydrophobicContact CE2-CG2 3.89Å; V233-C235 PolarHBondContact O-N 3.44Å; V233-P252 HydrophobicContact CG1-CB 4.47Å; V233-P252 HydrophobicContact CG1-CG 3.62Å; V233-I256 HydrophobicContact CG1-CG1 4.41Å; V233-E259 HydrophobicContact CG2-CG 4.06Å; V233-I309 HydrophobicContact CG2-CB 4.08Å; V233-I309 HydrophobicContact CG2-CD1 3.86Å; V233-I309 HydrophobicContact CG2-CG2 4.44Å; V233-I311 HydrophobicContact CG1-CD1 4.41Å |
| 234 | C | 92.5 | Very high | 84 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 113.7 | 174.5 | -68.5 | 0 | 0 | 0 | 0 | 108.6 | T236 I309 | C234-T236 PolarHBondContact O-N 3.22Å; C234-I309 PolarHBondContact N-O 3.18Å |
| 235 | C | 91.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -84.3 | 21.3 | -178.9 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | N192 C219 W221 V233 V249 E250 | N192-C235 PolarHBondContact OD1-SG 3.08Å; C219-C235 HydrophobicContact CB-CB 3.88Å; C219-C235 WeakPolarHBondContact O-CB 3.11Å; C219-C235 PolarHBondContact O-N 2.84Å; W221-C235 VanDerWaalsContact CD1-SG 3.52Å; V233-C235 PolarHBondContact O-N 3.44Å; C235-V249 CarbonylContact O-C 3.55Å; C235-V249 WeakPolarHBondContact O-CA 3.47Å; C235-E250 PolarHBondContact O-N 3.36Å | ||
| 236 | T | 88.8 | Confident | 82.1 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141.9 | 179.8 | 60 | 0 | 0 | 0 | 0 | 111.3 | I218 C234 T247 K248 | I218-T236 HydrophobicContact CB-CG2 3.94Å; I218-T236 HydrophobicContact CD1-CG2 4.39Å; I218-T236 HydrophobicContact CG1-CG2 4.49Å; C234-T236 PolarHBondContact O-N 3.22Å; T236-T247 HydrophobicContact CG2-CG2 4.27Å; T236-K248 CarbonylContact C-O 3.57Å; T236-K248 VanDerWaalsContact CA-O 3.28Å; T236-K248 WeakPolarHBondContact CA-O 3.31Å |
| 237 | S | 85.8 | Confident | 81.8 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.9 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 110.3 | T247 K248 E250 | S237-T247 CarbonylContact O-C 3.36Å; S237-T247 WeakPolarHBondContact O-CA 3.25Å; S237-K248 PolarHBondContact N-O 2.88Å; S237-K248 PolarHBondContact O-N 3.29Å; S237-E250 PolarHBondContact OG-OE1 3.28Å |
| 238 | I | 79.2 | Confident | 81.8 | Confident | 109 Ų | 109 | 62.2 Ų | 62.2 | 56% | 0.559 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 121.7 | 177.1 | -57.9 | 174.8 | 0 | 0 | 0 | 108.6 | Y240 | I238-Y240 HydrophobicContact CG2-CE2 4.15Å |
| 239 | V | 74 | Confident | 81.8 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.4 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | A241 Q246 K248 R313 | V239-A241 PolarHBondContact O-N 3.05Å; V239-Q246 PolarHBondContact N-O 2.83Å; V239-Q246 PolarHBondContact O-N 2.86Å; V239-K248 HydrophobicContact CG2-CD 3.79Å; V239-K248 HydrophobicContact CG2-CG 3.9Å; V239-R313 VanDerWaalsContact CG2-NH2 3.33Å |
| 240 | Y | 71.4 | Confident | 81.8 | Confident | 169 Ų | 169 | 58.7 Ų | 58.7 | 66% | 0.663 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 103.2 | 172.4 | -62.8 | -98 | 0 | 0 | 0 | 107.8 | I238 K245 | I238-Y240 HydrophobicContact CG2-CE2 4.15Å; Y240-K245 HydrophobicContact CD1-CG 4.05Å; Y240-K245 HydrophobicContact CE1-CD 4.06Å; Y240-K245 HydrophobicContact CE1-CG 4.05Å |
| 241 | A | 65.4 | Low | 81.8 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | trans | -83.6 | 160.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109 | V239 E243 K244 | V239-A241 PolarHBondContact O-N 3.05Å; A241-E243 PolarHBondContact O-N 3.45Å; A241-K244 WeakPolarHBondContact CB-O 3.32Å; A241-K244 PolarHBondContact N-O 3.23Å; A241-K244 VanDerWaalsContact N-O 3.1Å; A241-K244 PolarHBondContact O-N 3.41Å | ||
| 242 | T | 66.1 | Low | 81.9 | Confident | 148 Ų | 148 | 61.2 Ų | 61.2 | 91% | 0.908 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -53 | -23.9 | -178.6 | 45.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 243 | E | 63.7 | Low | 81.9 | Confident | 176 Ų | 176 | 63.8 Ų | 63.8 | 82% | 0.822 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -113.9 | -29.5 | -175 | -62.5 | -179.9 | -173 | 0 | 0 | 114.2 | A241 | A241-E243 PolarHBondContact O-N 3.45Š|
| 244 | K | 67.9 | Low | 81.8 | Confident | 156 Ų | 156 | 67.5 Ų | 67.5 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | trans | -155.1 | 154.3 | -176.5 | -65.6 | -172.6 | -178 | 173 | 0 | 113 | A241 | A241-K244 WeakPolarHBondContact CB-O 3.32Å; A241-K244 PolarHBondContact N-O 3.23Å; A241-K244 VanDerWaalsContact N-O 3.1Å; A241-K244 PolarHBondContact O-N 3.41Å | ||
| 245 | K | 71.6 | Confident | 81.8 | Confident | 137 Ų | 137 | 70.1 Ų | 70.1 | 60% | 0.596 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.2 | 164.5 | -59.8 | -173.1 | -172.6 | -173.3 | 0 | 109.5 | Y240 | Y240-K245 HydrophobicContact CD1-CG 4.05Å; Y240-K245 HydrophobicContact CE1-CD 4.06Å; Y240-K245 HydrophobicContact CE1-CG 4.05Å |
| 246 | Q | 75.3 | Confident | 82 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127 | 179.1 | -68.8 | -175.2 | -2.6 | 0 | 0 | 110.1 | S180 V239 | S180-Q246 WeakPolarHBondContact OG-CA 3.29Å; S180-Q246 WeakPolarHBondContact OG-CB 3.35Å; V239-Q246 PolarHBondContact N-O 2.83Å; V239-Q246 PolarHBondContact O-N 2.86Å |
| 247 | T | 80.9 | Confident | 82.3 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 87.3 | 177.1 | -50.7 | 0 | 0 | 0 | 0 | 114.3 | Y179 S180 I218 T236 S237 | Y179-T247 PolarHBondContact O-N 3.29Å; S180-T247 WeakPolarHBondContact CB-O 3.44Å; S180-T247 PolarHBondContact OG-N 3.36Å; S180-T247 PolarHBondContact OG-O 3.35Å; I218-T247 HydrophobicContact CD1-CG2 3.94Å; T236-T247 HydrophobicContact CG2-CG2 4.27Å; S237-T247 CarbonylContact O-C 3.36Å; S237-T247 WeakPolarHBondContact O-CA 3.25Å |
| 248 | K | 85.6 | Confident | 82.7 | Confident | 48 Ų | 48 | 73 Ų | 73 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.3 | -178.5 | -59.5 | -167.8 | -177.3 | -169.6 | 0 | 112.4 | T236 S237 V239 | T236-K248 CarbonylContact C-O 3.57Å; T236-K248 VanDerWaalsContact CA-O 3.28Å; T236-K248 WeakPolarHBondContact CA-O 3.31Å; S237-K248 PolarHBondContact N-O 2.88Å; S237-K248 PolarHBondContact O-N 3.29Å; V239-K248 HydrophobicContact CG2-CD 3.79Å; V239-K248 HydrophobicContact CG2-CG 3.9Å |
| 249 | V | 89.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.3 | 169.6 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | S185 N188 L189 I218 C219 C235 | S185-V249 PolarHBondContact OG-N 2.78Å; N188-V249 HydrophobicContact CB-CG1 4.34Å; N188-V249 WeakPolarHBondContact CB-O 3.44Å; N188-V249 PolarHBondContact ND2-O 2.77Å; L189-V249 HydrophobicContact CB-CG1 4.3Å; I218-V249 HydrophobicContact CB-CG2 4.45Å; I218-V249 HydrophobicContact CG2-CG2 3.66Å; C219-V249 HydrophobicContact CB-CG1 4.29Å; C235-V249 CarbonylContact O-C 3.55Å; C235-V249 WeakPolarHBondContact O-CA 3.47Å |
| 250 | E | 91.4 | Very high | 84.4 | Confident | 43 Ų | 43 | 67 Ų | 67 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | trans | -105.8 | 159.6 | 179.6 | -58.3 | -66.1 | 169.2 | 0 | 0 | 110.4 | N192 C235 S237 P252 I311 | N192-E250 PolarHBondContact ND2-O 3.1Å; N192-E250 VanDerWaalsContact ND2-O 3.08Å; C235-E250 PolarHBondContact O-N 3.36Å; S237-E250 PolarHBondContact OG-OE1 3.28Å; E250-P252 WeakPolarHBondContact O-CD 3.47Å; E250-I311 HydrophobicContact CB-CB 4.44Å; E250-I311 HydrophobicContact CB-CG1 4.36Å; E250-I311 HydrophobicContact CB-CG2 4.16Å; E250-I311 HydrophobicContact CG-CB 4.31Å; E250-I311 HydrophobicContact CG-CG2 4.01Å | ||
| 251 | F | 93.8 | Very high | 85.4 | Confident | 46 Ų | 46 | 63.2 Ų | 63.2 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | trans | -121.3 | 83.5 | 174.7 | 177.2 | -122.2 | 0 | 0 | 0 | 110.5 | N188 K191 L195 E253 | N188-F251 HydrophobicContact CB-CB 4.06Å; K191-F251 HydrophobicContact CB-CB 4.44Å; K191-F251 HydrophobicContact CB-CD1 3.85Å; K191-F251 HydrophobicContact CB-CD2 3.75Å; K191-F251 HydrophobicContact CB-CE1 3.94Å; K191-F251 HydrophobicContact CB-CE2 3.86Å; K191-F251 HydrophobicContact CB-CG 3.74Å; K191-F251 HydrophobicContact CB-CZ 3.95Å; K191-F251 HydrophobicContact CD-CD1 3.75Å; K191-F251 HydrophobicContact CD-CE1 4.16Å; K191-F251 HydrophobicContact CD-CG 4.2Å; K191-F251 HydrophobicContact CG-CD1 4.38Å; K191-F251 HydrophobicContact CG-CE1 4.47Å; K191-F251 WeakPolarHBondContact O-CE2 3.5Å; L195-F251 HydrophobicContact CB-CE2 3.99Å; L195-F251 HydrophobicContact CB-CZ 4.26Å; L195-F251 HydrophobicContact CD2-CE2 3.69Å; L195-F251 HydrophobicContact CD2-CZ 4Å; L195-F251 HydrophobicContact CG-CE2 4.48Å; F251-E253 HydrophobicContact CD1-CB 4.14Å; F251-E253 HydrophobicContact CE1-CB 3.57Å; F251-E253 HydrophobicContact CE1-CG 4Å; F251-E253 HydrophobicContact CE2-CB 4.24Å; F251-E253 HydrophobicContact CZ-CB 3.62Å; F251-E253 HydrophobicContact CZ-CG 3.77Å; F251-E253 PolarHBondContact O-N 3.47Å | ||
| 252 | P | 94.6 | Very high | 86.7 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | trans | -82.8 | 61.7 | -177.9 | 35.6 | -37.1 | 0 | 0 | 0 | 112 | V233 E250 A254 R255 I256 I311 | V233-P252 HydrophobicContact CG1-CB 4.47Å; V233-P252 HydrophobicContact CG1-CG 3.62Å; E250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-A254 PolarHBondContact O-N 2.84Å; P252-R255 HydrophobicContact CB-CB 4.38Å; P252-R255 PolarHBondContact O-N 3.37Å; P252-R255 VanDerWaalsContact O-N 3.07Å; P252-I256 HydrophobicContact CG-CD1 3.97Å; P252-I256 HydrophobicContact CG-CG1 4.25Å; P252-I256 PolarHBondContact O-N 3.16Å; P252-I256 VanDerWaalsContact O-N 3.09Å; P252-I311 HydrophobicContact CB-CD1 3.36Å; P252-I311 HydrophobicContact CB-CG1 4.01Å; P252-I311 HydrophobicContact CG-CD1 3.71Å; P252-I311 HydrophobicContact CG-CG1 4.03Å | ||
| 253 | E | 94.8 | Very high | 87.9 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 38% | 0.379 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -46.9 | -53.6 | -172.9 | -175.3 | 169.9 | -162.3 | 0 | 0 | 113.4 | L195 F251 R255 I256 Y257 | L195-E253 HydrophobicContact CD2-CG 4.27Å; F251-E253 HydrophobicContact CD1-CB 4.14Å; F251-E253 HydrophobicContact CE1-CB 3.57Å; F251-E253 HydrophobicContact CE1-CG 4Å; F251-E253 HydrophobicContact CE2-CB 4.24Å; F251-E253 HydrophobicContact CZ-CB 3.62Å; F251-E253 HydrophobicContact CZ-CG 3.77Å; F251-E253 PolarHBondContact O-N 3.47Å; E253-R255 VanDerWaalsContact C-N 3.29Å; E253-R255 PolarHBondContact O-N 3.15Å; E253-I256 PolarHBondContact O-N 2.83Å; E253-Y257 HydrophobicContact CG-CD2 3.69Å; E253-Y257 HydrophobicContact CG-CE2 3.62Å; E253-Y257 WeakPolarHBondContact O-CD2 3.47Å; E253-Y257 PolarHBondContact O-N 3.46Å |
| 254 | A | 93.3 | Very high | 89.2 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.1 | -39.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P252 E258 | P252-A254 PolarHBondContact O-N 2.84Å; A254-E258 WeakPolarHBondContact O-CB 3.36Å; A254-E258 PolarHBondContact O-N 3.19Å |
| 255 | R | 93 | Very high | 90.2 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.4 | -39.9 | 178.6 | -66 | -58.7 | -172.3 | -176 | 1.7 | 111.6 | P252 E253 Y257 E258 E259 | P252-R255 HydrophobicContact CB-CB 4.38Å; P252-R255 PolarHBondContact O-N 3.37Å; P252-R255 VanDerWaalsContact O-N 3.07Å; E253-R255 VanDerWaalsContact C-N 3.29Å; E253-R255 PolarHBondContact O-N 3.15Å; R255-Y257 VanDerWaalsContact C-N 3.35Å; R255-E258 WeakPolarHBondContact CD-OE2 3.39Å; R255-E258 IonicContact CZ-OE2 2.81Å; R255-E258 IonicContact NH1-OE1 2.87Å; R255-E258 IonicContact NH1-OE2 3.87Å; R255-E258 PolarHBondContact NH1-OE2 3.15Å; R255-E258 PolarHBondContact O-N 2.91Å; R255-E259 WeakPolarHBondContact O-CB 3.43Å; R255-E259 WeakPolarHBondContact O-CG 3.45Å; R255-E259 PolarHBondContact O-N 3.03Å |
| 256 | I | 96.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.9 | -65.5 | 160.7 | 0 | 0 | 0 | 110.6 | N192 L195 L199 W221 V233 P252 E253 T260 | N192-I256 WeakPolarHBondContact OD1-CD1 3.46Å; L195-I256 HydrophobicContact CD2-CB 3.94Å; L195-I256 HydrophobicContact CD2-CD1 4.04Å; L195-I256 HydrophobicContact CD2-CG2 3.64Å; L195-I256 HydrophobicContact CG-CG2 4.39Å; L199-I256 HydrophobicContact CD1-CG2 4.18Å; W221-I256 HydrophobicContact CD2-CD1 4.37Å; W221-I256 HydrophobicContact CD2-CG1 4.24Å; W221-I256 HydrophobicContact CD2-CG2 3.73Å; W221-I256 HydrophobicContact CE3-CG2 3.64Å; W221-I256 HydrophobicContact CG-CD1 4.44Å; W221-I256 HydrophobicContact CG-CG1 4.2Å; W221-I256 HydrophobicContact CG-CG2 4.46Å; W221-I256 HydrophobicContact CH2-CG2 3.61Å; W221-I256 HydrophobicContact CZ2-CD1 4.14Å; W221-I256 HydrophobicContact CZ2-CG2 3.75Å; W221-I256 HydrophobicContact CZ3-CG2 3.58Å; V233-I256 HydrophobicContact CG1-CG1 4.41Å; P252-I256 HydrophobicContact CG-CD1 3.97Å; P252-I256 HydrophobicContact CG-CG1 4.25Å; P252-I256 PolarHBondContact O-N 3.16Å; P252-I256 VanDerWaalsContact O-N 3.09Å; E253-I256 PolarHBondContact O-N 2.83Å; I256-T260 WeakPolarHBondContact O-CB 3.45Å; I256-T260 PolarHBondContact O-N 3.04Å; I256-T260 PolarHBondContact O-OG1 3.32Å |
| 257 | Y | 95.2 | Very high | 91.3 | Very high | 68 Ų | 68 | 37.9 Ų | 37.9 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.2 | -49.1 | 175.3 | -89.3 | -74 | 0 | 0 | 0 | 112.2 | L195 R198 L199 E253 R255 E259 T260 L261 | L195-Y257 HydrophobicContact CD1-CD2 4.12Å; L195-Y257 HydrophobicContact CD1-CE1 4.15Å; L195-Y257 HydrophobicContact CD1-CE2 3.32Å; L195-Y257 VanDerWaalsContact CD1-OH 3.25Å; L195-Y257 WeakPolarHBondContact CD1-OH 3.38Å; L195-Y257 HydrophobicContact CD2-CE2 4.33Å; L195-Y257 HydrophobicContact CG-CE2 4.48Å; R198-Y257 PolarHBondContact NH1-OH 2.85Å; L199-Y257 HydrophobicContact CD2-CD1 3.84Å; L199-Y257 HydrophobicContact CD2-CE1 3.53Å; L199-Y257 HydrophobicContact CG-CE1 4.41Å; E253-Y257 HydrophobicContact CG-CD2 3.69Å; E253-Y257 HydrophobicContact CG-CE2 3.62Å; E253-Y257 WeakPolarHBondContact O-CD2 3.47Å; E253-Y257 PolarHBondContact O-N 3.46Å; R255-Y257 VanDerWaalsContact C-N 3.35Å; Y257-E259 VanDerWaalsContact C-N 3.35Å; Y257-E259 PolarHBondContact O-N 3.02Å; Y257-T260 PolarHBondContact O-N 3.33Å; Y257-L261 WeakPolarHBondContact O-CG 3.42Å; Y257-L261 PolarHBondContact O-N 3Å |
| 258 | E | 93.4 | Very high | 91 | Very high | 36 Ų | 36 | 41 Ų | 41 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.6 | -49.2 | 178.8 | -179.1 | 176.1 | -151.5 | 0 | 0 | 111.1 | A254 R255 T260 L261 N262 S283 | A254-E258 WeakPolarHBondContact O-CB 3.36Å; A254-E258 PolarHBondContact O-N 3.19Å; R255-E258 WeakPolarHBondContact CD-OE2 3.39Å; R255-E258 IonicContact CZ-OE2 2.81Å; R255-E258 IonicContact NH1-OE1 2.87Å; R255-E258 IonicContact NH1-OE2 3.87Å; R255-E258 PolarHBondContact NH1-OE2 3.15Å; R255-E258 PolarHBondContact O-N 2.91Å; E258-T260 PolarHBondContact O-N 3.21Å; E258-L261 PolarHBondContact O-N 3.47Å; E258-N262 WeakPolarHBondContact O-CB 3.31Å; E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 3.1Å; E258-N262 PolarHBondContact O-ND2 3.26Å; E258-S283 PolarHBondContact OE1-OG 3.35Å |
| 259 | E | 94.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 178 | -68.3 | -49.9 | 145.6 | 0 | 0 | 113 | F223 A231 V233 R255 Y257 L261 N262 T263 Y284 R307 I309 | F223-E259 HydrophobicContact CD1-CB 3.85Å; F223-E259 HydrophobicContact CD2-CB 3.75Å; F223-E259 HydrophobicContact CD2-CG 4.23Å; F223-E259 HydrophobicContact CE1-CB 3.63Å; F223-E259 HydrophobicContact CE2-CB 3.51Å; F223-E259 HydrophobicContact CE2-CG 3.99Å; F223-E259 HydrophobicContact CG-CB 3.92Å; F223-E259 HydrophobicContact CZ-CB 3.45Å; F223-E259 VanDerWaalsContact CZ-CB 3.45Å; F223-E259 HydrophobicContact CZ-CG 4.34Å; A231-E259 HydrophobicContact CB-CG 4.42Å; A231-E259 WeakPolarHBondContact CB-OE2 3.37Å; V233-E259 HydrophobicContact CG2-CG 4.06Å; R255-E259 WeakPolarHBondContact O-CB 3.43Å; R255-E259 WeakPolarHBondContact O-CG 3.45Å; R255-E259 PolarHBondContact O-N 3.03Å; Y257-E259 VanDerWaalsContact C-N 3.35Å; Y257-E259 PolarHBondContact O-N 3.02Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.5Å; E259-N262 WeakPolarHBondContact O-CB 3.12Å; E259-N262 PolarHBondContact O-N 3.13Å; E259-T263 WeakPolarHBondContact O-CG2 3.42Å; E259-T263 PolarHBondContact O-N 3.4Å; E259-Y284 PolarHBondContact OE1-OH 3.33Å; E259-R307 IonicContact OE1-CZ 3.79Å; E259-R307 IonicContact OE1-NH1 3.77Å; E259-R307 PolarHBondContact OE1-NH1 2.88Å; E259-R307 IonicContact OE2-CZ 3.88Å; E259-R307 IonicContact OE2-NH1 3.12Å; E259-R307 PolarHBondContact OE2-NH1 3.08Å; E259-R307 IonicContact OE2-NH2 2.77Å; E259-R307 PolarHBondContact OE2-NH2 3.31Å; E259-I309 HydrophobicContact CG-CD1 3.93Å; E259-I309 VanDerWaalsContact OE1-CD1 3.31Å; E259-I309 WeakPolarHBondContact OE1-CD1 3.5Å |
| 260 | T | 95.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | V168 L199 I256 Y257 E258 N262 T263 | V168-T260 HydrophobicContact CG2-CG2 4.44Å; L199-T260 HydrophobicContact CD1-CG2 4.29Å; L199-T260 HydrophobicContact CD2-CG2 4.23Å; I256-T260 WeakPolarHBondContact O-CB 3.45Å; I256-T260 PolarHBondContact O-N 3.04Å; I256-T260 PolarHBondContact O-OG1 3.32Å; Y257-T260 PolarHBondContact O-N 3.33Å; E258-T260 PolarHBondContact O-N 3.21Å; T260-N262 VanDerWaalsContact C-N 3.34Å; T260-N262 PolarHBondContact O-N 3.05Å; T260-T263 PolarHBondContact O-N 3Å; T260-T263 PolarHBondContact O-OG1 3.12Å |
| 261 | L | 92.8 | Very high | 88 | Confident | 90 Ų | 90 | 51.6 Ų | 51.6 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.5 | -66 | 177.7 | 0 | 0 | 0 | 111.9 | F203 Y257 E258 E259 T263 L264 | F203-L261 HydrophobicContact CZ-CD2 4.1Å; Y257-L261 WeakPolarHBondContact O-CG 3.42Å; Y257-L261 PolarHBondContact O-N 3Å; E258-L261 PolarHBondContact O-N 3.47Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.5Å; L261-T263 VanDerWaalsContact C-N 3.25Å; L261-T263 PolarHBondContact O-N 3.29Å; L261-L264 HydrophobicContact CD2-CD1 4.06Å; L261-L264 VanDerWaalsContact O-CB 3.3Å; L261-L264 WeakPolarHBondContact O-CB 3.43Å; L261-L264 PolarHBondContact O-N 3.35Å |
| 262 | N | 91.8 | Very high | 86.7 | Confident | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -30.8 | 176.4 | -74.7 | -27 | 0 | 0 | 0 | 112.6 | E258 E259 T260 L264 L265 | E258-N262 WeakPolarHBondContact O-CB 3.31Å; E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 3.1Å; E258-N262 PolarHBondContact O-ND2 3.26Å; E259-N262 WeakPolarHBondContact O-CB 3.12Å; E259-N262 PolarHBondContact O-N 3.13Å; T260-N262 VanDerWaalsContact C-N 3.34Å; T260-N262 PolarHBondContact O-N 3.05Å; N262-L264 PolarHBondContact O-N 3.01Å; N262-L265 WeakPolarHBondContact O-CB 3.08Å; N262-L265 WeakPolarHBondContact O-CG 3.11Å; N262-L265 PolarHBondContact O-N 3.4Å |
| 263 | T | 91.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -28.1 | 174.5 | 69 | 0 | 0 | 0 | 0 | 113.3 | P166 V168 F223 L230 E259 T260 L261 L265 Y266 | P166-T263 WeakPolarHBondContact CB-O 3.06Å; V168-T263 HydrophobicContact CG2-CG2 4.46Å; F223-T263 HydrophobicContact CB-CG2 3.65Å; F223-T263 HydrophobicContact CD1-CG2 3.74Å; F223-T263 HydrophobicContact CG-CG2 4.14Å; L230-T263 HydrophobicContact CD1-CG2 4.48Å; E259-T263 WeakPolarHBondContact O-CG2 3.42Å; E259-T263 PolarHBondContact O-N 3.4Å; T260-T263 PolarHBondContact O-N 3Å; T260-T263 PolarHBondContact O-OG1 3.12Å; L261-T263 VanDerWaalsContact C-N 3.25Å; L261-T263 PolarHBondContact O-N 3.29Å; T263-L265 PolarHBondContact O-N 2.97Å; T263-Y266 WeakPolarHBondContact O-CB 3.46Å; T263-Y266 PolarHBondContact O-N 2.96Å |
| 264 | L | 91.2 | Very high | 84.7 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 12% | 0.12 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -65.9 | -20.5 | -180 | -61.1 | 175.4 | 0 | 0 | 0 | 112.6 | F203 R206 V207 L261 N262 Y266 E267 | F203-L264 HydrophobicContact CD1-CD1 4.33Å; F203-L264 HydrophobicContact CE1-CD1 4.06Å; R206-L264 HydrophobicContact CB-CD2 4.27Å; V207-L264 HydrophobicContact CG2-CD2 3.39Å; L261-L264 HydrophobicContact CD2-CD1 4.06Å; L261-L264 VanDerWaalsContact O-CB 3.3Å; L261-L264 WeakPolarHBondContact O-CB 3.43Å; L261-L264 PolarHBondContact O-N 3.35Å; N262-L264 PolarHBondContact O-N 3.01Å; L264-Y266 PolarHBondContact O-N 3.39Å; L264-Y266 VanDerWaalsContact O-N 3.11Å; L264-E267 WeakPolarHBondContact O-CB 3.49Å; L264-E267 PolarHBondContact O-N 2.94Å |
| 265 | L | 88.3 | Confident | 83.7 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -62.1 | -15.7 | 171.7 | -59.3 | 176.6 | 0 | 0 | 0 | 112.8 | N262 T263 P272 T280 | N262-L265 WeakPolarHBondContact O-CB 3.08Å; N262-L265 WeakPolarHBondContact O-CG 3.11Å; N262-L265 PolarHBondContact O-N 3.4Å; T263-L265 PolarHBondContact O-N 2.97Å; L265-P272 HydrophobicContact CB-CB 4.39Å; L265-P272 HydrophobicContact CB-CG 4.31Å; L265-T280 HydrophobicContact CD1-CG2 4.07Å |
| 266 | Y | 87.4 | Confident | 82.7 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -105.4 | 11.3 | -178.9 | -63.6 | -90.7 | 0 | 0 | 0 | 113.1 | R228 L230 T263 L264 P272 L277 | R228-Y266 PolarHBondContact NH2-OH 3Å; R228-Y266 VanDerWaalsContact NH2-OH 3.15Å; L230-Y266 HydrophobicContact CD1-CD2 3.45Å; L230-Y266 VanDerWaalsContact CD1-CD2 3.45Å; L230-Y266 HydrophobicContact CD1-CE2 3.48Å; L230-Y266 VanDerWaalsContact CD1-CE2 3.48Å; L230-Y266 HydrophobicContact CD1-CG 4.05Å; L230-Y266 HydrophobicContact CD2-CE1 4.08Å; L230-Y266 HydrophobicContact CD2-CE2 4.03Å; L230-Y266 HydrophobicContact CG-CE2 4.39Å; T263-Y266 WeakPolarHBondContact O-CB 3.46Å; T263-Y266 PolarHBondContact O-N 2.96Å; L264-Y266 PolarHBondContact O-N 3.39Å; L264-Y266 VanDerWaalsContact O-N 3.11Å; Y266-P272 HydrophobicContact CD1-CG 3.97Å; Y266-P272 HydrophobicContact CD2-CG 4.45Å; Y266-P272 HydrophobicContact CE1-CG 3.55Å; Y266-P272 HydrophobicContact CE2-CG 4.09Å; Y266-P272 HydrophobicContact CG-CG 4.41Å; Y266-L277 WeakPolarHBondContact OH-CD2 3.5Å |
| 267 | E | 84.3 | Confident | 81.6 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -71.3 | -32.9 | 178 | -175.4 | 178.1 | -161.9 | 0 | 0 | 113.3 | R206 L264 | R206-E267 WeakPolarHBondContact CB-OE1 3.31Å; R206-E267 VanDerWaalsContact CG-OE1 3.25Å; R206-E267 WeakPolarHBondContact CG-OE1 3.21Å; R206-E267 IonicContact CZ-OE2 2.78Å; R206-E267 IonicContact NE-OE1 3.73Å; R206-E267 PolarHBondContact NE-OE1 2.9Å; R206-E267 VanDerWaalsContact NE-OE1 3.11Å; R206-E267 IonicContact NE-OE2 3.78Å; R206-E267 PolarHBondContact NE-OE2 2.85Å; R206-E267 IonicContact NH2-OE2 2.68Å; R206-E267 PolarHBondContact NH2-OE2 2.98Å; L264-E267 WeakPolarHBondContact O-CB 3.49Å; L264-E267 PolarHBondContact O-N 2.94Å |
| 268 | T | 74 | Confident | 80.5 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -117.9 | 149.3 | -176.9 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | P270 | T268-P270 VanDerWaalsContact O-O 3.09Š|
| 269 | L | 66.4 | Low | 79.4 | Confident | 145 Ų | 145 | 64 Ų | 64 | 76% | 0.759 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -86 | 142.6 | 162.2 | -79.4 | 154.3 | 0 | 0 | 0 | 108.7 | L271 | L269-L271 HydrophobicContact CD2-CD2 4.5Š|
| 270 | P | 68.7 | Low | 78.3 | Confident | 111 Ų | 111 | 66.2 Ų | 66.2 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -81.3 | 172.3 | 5 | 33.2 | -34.7 | 0 | 0 | 0 | 113.9 | T268 | T268-P270 VanDerWaalsContact O-O 3.09Š|
| 271 | L | 68.1 | Low | 76.7 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 142.5 | -177.2 | -55.5 | 154 | 0 | 0 | 0 | 109.6 | L269 D273 R303 | L269-L271 HydrophobicContact CD2-CD2 4.5Å; L271-D273 PolarHBondContact O-N 2.8Å; L271-R303 VanDerWaalsContact CD1-CZ 3.47Å |
| 272 | P | 66.7 | Low | 74.9 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 8% | 0.078 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 125.9 | 177.6 | 21 | -29.4 | 0 | 0 | 0 | 110.5 | L265 Y266 L277 | L265-P272 HydrophobicContact CB-CB 4.39Å; L265-P272 HydrophobicContact CB-CG 4.31Å; Y266-P272 HydrophobicContact CD1-CG 3.97Å; Y266-P272 HydrophobicContact CD2-CG 4.45Å; Y266-P272 HydrophobicContact CE1-CG 3.55Å; Y266-P272 HydrophobicContact CE2-CG 4.09Å; Y266-P272 HydrophobicContact CG-CG 4.41Å; P272-L277 HydrophobicContact CB-CD2 4.2Å; P272-L277 HydrophobicContact CB-CG 4.46Å; P272-L277 HydrophobicContact CG-CD2 4.06Å |
| 273 | D | 74.3 | Confident | 72.7 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 62% | 0.62 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 156.5 | 179.4 | -68.6 | -30.8 | 0 | 0 | 0 | 111.7 | L271 Y275 L276 L277 | L271-D273 PolarHBondContact O-N 2.8Å; D273-Y275 PolarHBondContact O-N 2.95Å; D273-L276 PolarHBondContact O-N 2.94Å; D273-L277 PolarHBondContact O-N 3.34Å |
| 274 | N | 73.2 | Confident | 70.7 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.5 | -31.3 | -178.1 | -73.6 | -17.2 | 0 | 0 | 0 | 113.6 | L277 E278 G299 | N274-L277 PolarHBondContact O-N 2.74Å; N274-E278 WeakPolarHBondContact O-CB 3.38Å; N274-E278 PolarHBondContact O-N 3.31Å; N274-G299 PolarHBondContact ND2-O 3.02Å; N274-G299 PolarHBondContact OD1-O 2.93Å |
| 275 | Y | 72.8 | Confident | 68.4 | Low | 192 Ų | 192 | 86 Ų | 86 | 75% | 0.753 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 176 | -176 | -98.1 | 0 | 0 | 0 | 112.8 | D273 E278 A279 | D273-Y275 PolarHBondContact O-N 2.95Å; Y275-E278 PolarHBondContact O-N 3.07Å; Y275-A279 WeakPolarHBondContact O-CB 3.28Å; Y275-A279 PolarHBondContact O-N 3.5Å |
| 276 | L | 70.9 | Confident | 65.9 | Low | 89 Ų | 89 | 90.8 Ų | 90.8 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 177.2 | -71.3 | 170.9 | 0 | 0 | 0 | 111.4 | D273 E278 A279 T280 | D273-L276 PolarHBondContact O-N 2.94Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-A279 PolarHBondContact O-N 3.3Å; L276-T280 PolarHBondContact O-N 2.65Å; L276-T280 PolarHBondContact O-OG1 3.13Å |
| 277 | L | 74.2 | Confident | 63.6 | Low | 28 Ų | 28 | 93 Ų | 93 | 15% | 0.147 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 175.3 | -63.8 | 176.2 | 0 | 0 | 0 | 112.3 | Y266 P272 D273 N274 T280 R281 R303 | Y266-L277 WeakPolarHBondContact OH-CD2 3.5Å; P272-L277 HydrophobicContact CB-CD2 4.2Å; P272-L277 HydrophobicContact CB-CG 4.46Å; P272-L277 HydrophobicContact CG-CD2 4.06Å; D273-L277 PolarHBondContact O-N 3.34Å; N274-L277 PolarHBondContact O-N 2.74Å; L277-T280 PolarHBondContact O-OG1 3.49Å; L277-T280 VanDerWaalsContact O-OG1 3.08Å; L277-R281 PolarHBondContact O-N 2.92Å; L277-R303 HydrophobicContact CD1-CG 4.37Å |
| 278 | E | 70.7 | Confident | 61.2 | Low | 75 Ų | 75 | 92 Ų | 92 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.8 | -34.1 | 177.8 | -165.2 | 57.4 | -152.8 | 0 | 0 | 112.2 | N274 Y275 L276 T280 R281 R282 | N274-E278 WeakPolarHBondContact O-CB 3.38Å; N274-E278 PolarHBondContact O-N 3.31Å; Y275-E278 PolarHBondContact O-N 3.07Å; L276-E278 VanDerWaalsContact C-N 3.34Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 3.07Å; E278-R281 WeakPolarHBondContact O-CB 3.46Å; E278-R281 PolarHBondContact O-N 3.08Å; E278-R281 VanDerWaalsContact O-N 3.08Å; E278-R282 PolarHBondContact O-N 3.13Å |
| 279 | A | 70.6 | Confident | 59.5 | Low | 60 Ų | 60 | 93 Ų | 93 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y275 L276 R281 | Y275-A279 WeakPolarHBondContact O-CB 3.28Å; Y275-A279 PolarHBondContact O-N 3.5Å; L276-A279 PolarHBondContact O-N 3.3Å; A279-R281 VanDerWaalsContact C-N 3.32Å |
| 280 | T | 70.8 | Confident | 58 | Low | 47 Ų | 47 | 93.1 Ų | 93.1 | 29% | 0.288 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -77.2 | -17.4 | 175.1 | 49.7 | 0 | 0 | 0 | 0 | 113 | L265 L276 L277 E278 Y284 | L265-T280 HydrophobicContact CD1-CG2 4.07Å; L276-T280 PolarHBondContact O-N 2.65Å; L276-T280 PolarHBondContact O-OG1 3.13Å; L277-T280 PolarHBondContact O-OG1 3.49Å; L277-T280 VanDerWaalsContact O-OG1 3.08Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 3.07Å; T280-Y284 WeakPolarHBondContact O-CE2 3.48Å |
| 281 | R | 63 | Low | 56.3 | Low | 92 Ų | 92 | 93 Ų | 93 | 35% | 0.347 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -79.6 | -24.9 | 176.8 | -95.1 | 179.9 | 148.7 | -147.1 | -1.3 | 115.3 | L277 E278 A279 S283 Y284 | L277-R281 PolarHBondContact O-N 2.92Å; E278-R281 WeakPolarHBondContact O-CB 3.46Å; E278-R281 PolarHBondContact O-N 3.08Å; E278-R281 VanDerWaalsContact O-N 3.08Å; A279-R281 VanDerWaalsContact C-N 3.32Å; R281-S283 PolarHBondContact O-N 3.32Å; R281-Y284 WeakPolarHBondContact O-CB 3.46Å; R281-Y284 VanDerWaalsContact O-CD2 3.29Å; R281-Y284 WeakPolarHBondContact O-CD2 3.44Å; R281-Y284 PolarHBondContact O-N 3.05Å |
| 282 | R | 53.6 | Low | 55 | Low | 197 Ų | 197 | 99.6 Ų | 99.6 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.3 | -176.5 | -77.1 | -175.5 | 170.6 | -172 | -3.6 | 114.5 | E278 Y284 | E278-R282 PolarHBondContact O-N 3.13Å; R282-Y284 VanDerWaalsContact C-N 3.3Å; R282-Y284 PolarHBondContact O-N 2.95Å |
| 283 | S | 47.4 | Very low | 53.6 | Low | 73 Ų | 73 | 107.6 Ų | 107.6 | 51% | 0.51 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -21.4 | 171.8 | -169.9 | 0 | 0 | 0 | 0 | 113.7 | E258 R281 | E258-S283 PolarHBondContact OE1-OG 3.35Å; R281-S283 PolarHBondContact O-N 3.32Å |
| 284 | Y | 47.7 | Very low | 52 | Low | 53 Ų | 53 | 111.1 Ų | 111.1 | 21% | 0.208 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -86 | -21.7 | -172.6 | -65.9 | -97 | 0 | 0 | 0 | 114.4 | E259 T280 R281 R282 R307 I309 | E259-Y284 PolarHBondContact OE1-OH 3.33Å; T280-Y284 WeakPolarHBondContact O-CE2 3.48Å; R281-Y284 WeakPolarHBondContact O-CB 3.46Å; R281-Y284 VanDerWaalsContact O-CD2 3.29Å; R281-Y284 WeakPolarHBondContact O-CD2 3.44Å; R281-Y284 PolarHBondContact O-N 3.05Å; R282-Y284 VanDerWaalsContact C-N 3.3Å; R282-Y284 PolarHBondContact O-N 2.95Å; Y284-R307 PolarHBondContact OH-NH1 2.76Å; Y284-R307 VanDerWaalsContact OH-NH1 3.08Å; Y284-I309 HydrophobicContact CE1-CD1 4.5Å |
| 285 | I | 42.7 | Very low | 50.5 | Low | 138 Ų | 138 | 117.6 Ų | 117.6 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -76.8 | -25.3 | -174.1 | -61.6 | 176.9 | 0 | 0 | 0 | 111.9 | C287 | I285-C287 VanDerWaalsContact C-N 3.26Å; I285-C287 PolarHBondContact O-N 2.87Å |
| 286 | N | 37.3 | Very low | 48.7 | Very low | 159 Ų | 159 | 110.9 Ų | 110.9 | 85% | 0.85 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -81.6 | 3.8 | -176.5 | -156.3 | 54.8 | 0 | 0 | 0 | 114.4 | ||
| 287 | C | 38.6 | Very low | 47.2 | Very low | 69 Ų | 69 | 113.6 Ų | 113.6 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -154.1 | 31.4 | -177.2 | -164.7 | 0 | 0 | 0 | 0 | 113.9 | I285 Y314 | I285-C287 VanDerWaalsContact C-N 3.26Å; I285-C287 PolarHBondContact O-N 2.87Å; C287-Y314 PolarHBondContact SG-OH 3.39Å |
| 288 | G | 34.5 | Very low | 45.5 | Very low | 48 Ų | 48 | 113.7 Ų | 113.7 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | trans | -171.8 | 104.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L290 | G288-L290 PolarHBondContact O-N 3.46Å; G288-L290 VanDerWaalsContact O-N 3.13Å | ||
| 289 | S | 36.9 | Very low | 44.2 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -65 | 110.2 | 167.9 | -33 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 290 | L | 35 | Very low | 43.1 | Very low | 146 Ų | 146 | 114.1 Ų | 114.1 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | trans | -72.9 | 138.6 | 158.8 | -91.5 | 150.2 | 0 | 0 | 0 | 107.8 | G288 E292 | G288-L290 PolarHBondContact O-N 3.46Å; G288-L290 VanDerWaalsContact O-N 3.13Å; L290-E292 PolarHBondContact O-N 2.98Å | ||
| 291 | S | 34.4 | Very low | 42.2 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | trans | -59.1 | 124 | 162.6 | 46.8 | 0 | 0 | 0 | 0 | 108.3 | E293 | S291-E293 PolarHBondContact O-N 3.19Š| ||
| 292 | E | 39.4 | Very low | 41.8 | Very low | 196 Ų | 196 | 118 Ų | 118 | 92% | 0.916 | 66% | 0.659 | S | S | * | * | trans | -65.1 | 89 | 179.3 | -62 | 177.6 | 149.2 | 0 | 0 | 110.8 | L290 | L290-E292 PolarHBondContact O-N 2.98Š| ||
| 293 | E | 38.4 | Very low | 42.1 | Very low | 180 Ų | 180 | 112.4 Ų | 112.4 | 84% | 0.841 | 64% | 0.638 | S | S | * | * | trans | -139.9 | 116.9 | 156.6 | -69.9 | -165.3 | 164.8 | 0 | 0 | 110.4 | S291 | S291-E293 PolarHBondContact O-N 3.19Š| ||
| 294 | E | 39.2 | Very low | 42.8 | Very low | 190 Ų | 190 | 116 Ų | 116 | 89% | 0.888 | 65% | 0.647 | S | S | * | * | trans | 79.2 | 88.5 | 159 | -56.4 | -135 | 135.9 | 0 | 0 | 119.9 | G296 | E294-G296 PolarHBondContact O-N 3.3Š| ||
| 295 | E | 43 | Very low | 44.1 | Very low | 211 Ų | 211 | 122.2 Ų | 122.2 | 99% | 0.986 | 67% | 0.67 | S | S | * | * | trans | -73.7 | 95.3 | 146.1 | -77.5 | -162.4 | 148.4 | 0 | 0 | 109.7 | ||||
| 296 | G | 34.3 | Very low | 46 | Very low | 51 Ų | 51 | 117.5 Ų | 117.5 | 53% | 0.526 | 65% | 0.647 | S | S | . | * | trans | -104.3 | 145.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E294 G298 | E294-G296 PolarHBondContact O-N 3.3Å; G296-G298 PolarHBondContact O-N 3.17Å; G296-G298 VanDerWaalsContact O-N 3.09Å | ||
| 297 | P | 40.3 | Very low | 48.3 | Very low | 147 Ų | 147 | 112.8 Ų | 112.8 | 96% | 0.955 | 62% | 0.618 | S | S | * | * | trans | -80.9 | 91.9 | -177.1 | 32.7 | -31.5 | 0 | 0 | 0 | 110.4 | ||||
| 298 | G | 37.2 | Very low | 50.6 | Low | 29 Ų | 29 | 117.2 Ų | 117.2 | 30% | 0.299 | 63% | 0.625 | S | S | . | * | trans | -154.6 | 83.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G296 T300 E301 | G296-G298 PolarHBondContact O-N 3.17Å; G296-G298 VanDerWaalsContact O-N 3.09Å; G298-T300 PolarHBondContact O-N 2.92Å; G298-E301 PolarHBondContact O-N 3.5Å; G298-E301 VanDerWaalsContact O-N 3.15Å | ||
| 299 | G | 44.8 | Very low | 53.1 | Low | 35 Ų | 35 | 116.2 Ų | 116.2 | 36% | 0.361 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | -11.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N274 | N274-G299 PolarHBondContact ND2-O 3.02Å; N274-G299 PolarHBondContact OD1-O 2.93Å |
| 300 | T | 45.7 | Very low | 55.2 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -32 | 176.5 | -41.3 | 0 | 0 | 0 | 0 | 111.8 | G298 R303 | G298-T300 PolarHBondContact O-N 2.92Å; T300-R303 WeakPolarHBondContact O-CB 3.26Å; T300-R303 PolarHBondContact O-N 3.1Å |
| 301 | E | 52.7 | Low | 57.3 | Low | 147 Ų | 147 | 111.4 Ų | 111.4 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -75.3 | -34.5 | -172.1 | -148.4 | 174.6 | -169.4 | 0 | 0 | 112.3 | G298 R303 E304 R305 | G298-E301 PolarHBondContact O-N 3.5Å; G298-E301 VanDerWaalsContact O-N 3.15Å; E301-R303 PolarHBondContact O-N 2.97Å; E301-E304 PolarHBondContact O-N 3.41Å; E301-R305 PolarHBondContact O-N 2.93Å |
| 302 | L | 55.5 | Low | 58.7 | Low | 74 Ų | 74 | 114.8 Ų | 114.8 | 39% | 0.387 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -54.4 | -34 | 172.7 | -99.2 | 146.6 | 0 | 0 | 0 | 113.4 | ||
| 303 | R | 59.1 | Low | 59.5 | Low | 79 Ų | 79 | 112.7 Ų | 112.7 | 30% | 0.298 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -80.1 | -24.6 | -171.7 | -156.7 | -167.1 | 146.1 | 157.8 | 2.1 | 112.5 | R228 L271 L277 T300 E301 | R228-R303 VanDerWaalsContact CZ-O 3.28Å; R228-R303 PolarHBondContact NH1-O 3.43Å; R228-R303 PolarHBondContact NH2-O 2.82Å; L271-R303 VanDerWaalsContact CD1-CZ 3.47Å; L277-R303 HydrophobicContact CD1-CG 4.37Å; T300-R303 WeakPolarHBondContact O-CB 3.26Å; T300-R303 PolarHBondContact O-N 3.1Å; E301-R303 PolarHBondContact O-N 2.97Å |
| 304 | E | 61.5 | Low | 59.7 | Low | 150 Ų | 150 | 112.9 Ų | 112.9 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -14.3 | -175.7 | -69.6 | -178.3 | 170.1 | 0 | 0 | 113 | E301 V306 | E301-E304 PolarHBondContact O-N 3.41Å; E304-V306 PolarHBondContact O-N 2.87Å |
| 305 | R | 76.4 | Confident | 59.7 | Low | 182 Ų | 182 | 107.9 Ų | 107.9 | 69% | 0.687 | 53% | 0.534 | S | S | * | . | trans | -75.5 | 121.5 | -176.2 | -169.5 | 170.8 | -179.8 | 152.5 | -1.6 | 112.6 | E301 R307 | E301-R305 PolarHBondContact O-N 2.93Å; R305-R307 PolarHBondContact O-N 3.16Å | ||
| 306 | V | 82 | Confident | 59.6 | Low | 39 Ų | 39 | 104.3 Ų | 104.3 | 24% | 0.236 | 53% | 0.527 | C | S | . | . | trans | -70.9 | 123.9 | 169 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | K229 E304 R308 | K229-V306 HydrophobicContact CB-CG2 4.27Å; K229-V306 HydrophobicContact CD-CG1 4.18Å; K229-V306 HydrophobicContact CG-CG1 4.06Å; E304-V306 PolarHBondContact O-N 2.87Å; V306-R308 PolarHBondContact O-N 3.38Å | ||
| 307 | R | 86.2 | Confident | 60.1 | Low | 61 Ų | 61 | 110 Ų | 110 | 23% | 0.23 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 108.7 | 176.8 | -66.9 | 176.2 | -68.9 | 119.7 | 9.6 | 110.1 | L230 A231 E232 E259 Y284 R305 | L230-R307 PolarHBondContact O-N 2.96Å; A231-R307 CarbonylContact C-O 3.52Å; A231-R307 WeakPolarHBondContact CA-O 3.32Å; A231-R307 HydrophobicContact CB-CB 4.03Å; E232-R307 PolarHBondContact N-O 3.45Å; E259-R307 IonicContact OE1-CZ 3.79Å; E259-R307 IonicContact OE1-NH1 3.77Å; E259-R307 PolarHBondContact OE1-NH1 2.88Å; E259-R307 IonicContact OE2-CZ 3.88Å; E259-R307 IonicContact OE2-NH1 3.12Å; E259-R307 PolarHBondContact OE2-NH1 3.08Å; E259-R307 IonicContact OE2-NH2 2.77Å; E259-R307 PolarHBondContact OE2-NH2 3.31Å; Y284-R307 PolarHBondContact OH-NH1 2.76Å; Y284-R307 VanDerWaalsContact OH-NH1 3.08Å; R305-R307 PolarHBondContact O-N 3.16Å |
| 308 | R | 86.7 | Confident | 60 | Low | 162 Ų | 162 | 110.2 Ų | 110.2 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 112.6 | 177.8 | -59.3 | -164.9 | 163.5 | 98.6 | 0.2 | 111 | E232 V306 | E232-R308 HydrophobicContact CG-CB 4.2Å; E232-R308 HydrophobicContact CG-CG 3.93Å; E232-R308 WeakPolarHBondContact OE1-CD 3.33Å; E232-R308 WeakPolarHBondContact OE1-CG 3.43Å; E232-R308 IonicContact OE1-CZ 2.83Å; E232-R308 IonicContact OE1-NE 2.91Å; E232-R308 PolarHBondContact OE1-NE 2.93Å; V306-R308 PolarHBondContact O-N 3.38Å |
| 309 | I | 85.4 | Confident | 60.2 | Low | 26 Ų | 26 | 116.5 Ų | 116.5 | 13% | 0.133 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.9 | -176.1 | -59.5 | 165.9 | 0 | 0 | 0 | 108.8 | E232 V233 C234 E259 Y284 I311 | E232-I309 PolarHBondContact O-N 3.01Å; V233-I309 HydrophobicContact CG2-CB 4.08Å; V233-I309 HydrophobicContact CG2-CD1 3.86Å; V233-I309 HydrophobicContact CG2-CG2 4.44Å; C234-I309 PolarHBondContact N-O 3.18Å; E259-I309 HydrophobicContact CG-CD1 3.93Å; E259-I309 VanDerWaalsContact OE1-CD1 3.31Å; E259-I309 WeakPolarHBondContact OE1-CD1 3.5Å; Y284-I309 HydrophobicContact CE1-CD1 4.5Å; I309-I311 HydrophobicContact CG2-CD1 4.45Å |
| 310 | H | 82.7 | Confident | 59.9 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.2 | 173.5 | -63.3 | 79 | 0 | 0 | 0 | 109.3 | K312 | H310-K312 PolarHBondContact O-N 3.08Å; H310-K312 VanDerWaalsContact O-N 3.15Å |
| 311 | I | 78.5 | Confident | 59.8 | Low | 44 Ų | 44 | 125 Ų | 125 | 23% | 0.226 | 58% | 0.579 | C | S | . | * | trans | -79 | 101.8 | 179.4 | -51.8 | -48.7 | 0 | 0 | 0 | 109.1 | V233 E250 P252 I309 | V233-I311 HydrophobicContact CG1-CD1 4.41Å; E250-I311 HydrophobicContact CB-CB 4.44Å; E250-I311 HydrophobicContact CB-CG1 4.36Å; E250-I311 HydrophobicContact CB-CG2 4.16Å; E250-I311 HydrophobicContact CG-CB 4.31Å; E250-I311 HydrophobicContact CG-CG2 4.01Å; P252-I311 HydrophobicContact CB-CD1 3.36Å; P252-I311 HydrophobicContact CB-CG1 4.01Å; P252-I311 HydrophobicContact CG-CD1 3.71Å; P252-I311 HydrophobicContact CG-CG1 4.03Å; I309-I311 HydrophobicContact CG2-CD1 4.45Å | ||
| 312 | K | 63.1 | Low | 59.3 | Low | 180 Ų | 180 | 126 Ų | 126 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 149.9 | 171.1 | -73.7 | -174.9 | 179.1 | 178.4 | 0 | 110.3 | H310 | H310-K312 PolarHBondContact O-N 3.08Å; H310-K312 VanDerWaalsContact O-N 3.15Å |
| 313 | R | 57.5 | Low | 58.9 | Low | 151 Ų | 151 | 126 Ų | 126 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 144 | 168.5 | -73.1 | -176 | 176.6 | -165 | -10.6 | 111.2 | V239 | V239-R313 VanDerWaalsContact CG2-NH2 3.33Š|
| 314 | Y | 41.8 | Very low | 58 | Low | 185 Ų | 185 | 135 Ų | 135 | 73% | 0.725 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 117.7 | 145.9 | -76 | -87.5 | 0 | 0 | 0 | 107.7 | C287 T316 | C287-Y314 PolarHBondContact SG-OH 3.39Å; Y314-T316 PolarHBondContact O-N 3.3Å |
| 315 | S | 39.4 | Very low | 57.9 | Low | 85 Ų | 85 | 134.3 Ų | 134.3 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | trans | -71.3 | 109.3 | 170.5 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | Y317 | S315-Y317 PolarHBondContact O-N 3.35Š| ||
| 316 | T | 40.1 | Very low | 56.9 | Low | 136 Ų | 136 | 131.7 Ų | 131.7 | 83% | 0.834 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 32.2 | 175.9 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | Y314 | Y314-T316 PolarHBondContact O-N 3.3Š|
| 317 | Y | 45.1 | Very low | 55.5 | Low | 171 Ų | 171 | 136.9 Ų | 136.9 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -1 | -177.1 | -96.9 | -80.2 | 0 | 0 | 0 | 114.7 | S315 | S315-Y317 PolarHBondContact O-N 3.35Š|
| 318 | D | 39.3 | Very low | 53.7 | Low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | trans | -95.3 | 6.3 | -177.2 | -87.5 | -30.2 | 0 | 0 | 0 | 115.7 | ||||
| 319 | D | 39.8 | Very low | 51.6 | Low | 162 Ų | 162 | 140.1 Ų | 140.1 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | trans | -103.8 | 53.5 | 171.8 | -74.7 | -40 | 0 | 0 | 0 | 112 | ||||
| 320 | R | 39.5 | Very low | 49.4 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 75% | 0.751 | 74% | 0.737 | S | S | * | * | trans | -101.4 | 111.8 | 154.6 | -73.5 | -168.3 | -163.7 | -174.5 | 6.5 | 108.1 | L322 | R320-L322 PolarHBondContact O-N 3.18Š| ||
| 321 | P | 42.4 | Very low | 47 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 118.4 | 168.1 | 24.1 | -29.7 | 0 | 0 | 0 | 107.8 | G323 | P321-G323 PolarHBondContact O-N 3.08Š|
| 322 | L | 42.9 | Very low | 44.6 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 120.3 | 165.3 | -76 | 160.5 | 0 | 0 | 0 | 106.9 | R320 | R320-L322 PolarHBondContact O-N 3.18Š|
| 323 | G | 47.5 | Very low | 43 | Very low | 73 Ų | 73 | 156 Ų | 156 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 145.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P321 | P321-G323 PolarHBondContact O-N 3.08Š|
| 324 | H | 40.9 | Very low | 41.7 | Very low | 269 Ų | 269 | 156.5 Ų | 156.5 | 100% | 1.245 | 81% | 0.811 | S | S | * | * | trans | -105.5 | 0 | 158.8 | -89.5 | -50.1 | 0 | 0 | 0 | 109.5 |
Retrieved 324 of 324 residues in 458.9 ms
(Link to these results)