| 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 | 44.5 | Very low | 47.6 | Very low | 242 Ų | 242 | 163.7 Ų | 163.7 | 100% | 1.192 | 86% | 0.864 | S | S | * | * | 0 | 118.4 | 0 | -71.5 | 177.2 | 169.8 | 0 | 0 | 107.4 | |||||
| 2 | N | 41.1 | Very low | 47.9 | Very low | 156 Ų | 156 | 162 Ų | 162 | 83% | 0.834 | 85% | 0.854 | S | S | * | * | trans | -61 | 122.2 | -168.5 | -62.2 | -33.3 | 0 | 0 | 0 | 111.8 | ||||
| 3 | F | 41.3 | Very low | 48.2 | Very low | 187 Ų | 187 | 158.9 Ų | 158.9 | 82% | 0.82 | 85% | 0.846 | S | S | * | * | 67 | 111.1 | 93 | -93.6 | -83.7 | 0 | 0 | 0 | 115.2 | |||||
| 4 | T | 48.9 | Very low | 48 | Very low | 151 Ų | 151 | 161.3 Ų | 161.3 | 93% | 0.926 | 85% | 0.845 | S | S | * | * | trans | -166.7 | 104.3 | 131.9 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | S | 47.4 | Very low | 47.8 | Very low | 97 Ų | 97 | 163.3 Ų | 163.3 | 68% | 0.678 | 85% | 0.845 | S | S | * | * | trans | -116.4 | 121.2 | 158.6 | 73 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | L | 50.4 | Low | 48.2 | Very low | 159 Ų | 159 | 160.9 Ų | 160.9 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | trans | 22.7 | 116.6 | 141.5 | -69.3 | 153.6 | 0 | 0 | 0 | 118 | ||||
| 7 | I | 56.1 | Low | 48.3 | Very low | 167 Ų | 167 | 162.5 Ų | 162.5 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | -124.6 | 112.4 | 154.9 | -62.3 | -176.3 | 0 | 0 | 0 | 109.3 | ||||
| 8 | F | 43.1 | Very low | 48.5 | Very low | 195 Ų | 195 | 160 Ų | 160 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -55.8 | 124.1 | 167.3 | -105.9 | -110.5 | 0 | 0 | 0 | 111 | R10 | F8-R10 PolarHBondContact O-N 3Š| ||
| 9 | G | 44.9 | Very low | 48.7 | Very low | 77 Ų | 77 | 157.4 Ų | 157.4 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -75 | 108.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 10 | R | 53.9 | Low | 48.8 | Very low | 232 Ų | 232 | 156.4 Ų | 156.4 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -74.7 | 113.7 | 164.6 | -106.1 | 173.9 | 163.7 | 151.8 | -5.4 | 108.9 | F8 L12 | F8-R10 PolarHBondContact O-N 3Å; R10-L12 PolarHBondContact O-N 3.01Å | ||
| 11 | V | 52.1 | Low | 48.9 | Very low | 138 Ų | 138 | 155.2 Ų | 155.2 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -78.1 | 102.5 | 163.4 | 176.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 12 | L | 51.2 | Low | 48.8 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -86.9 | 101.2 | 170.5 | -101.5 | 149.2 | 0 | 0 | 0 | 108.1 | R10 K14 | R10-L12 PolarHBondContact O-N 3.01Å; L12-K14 PolarHBondContact O-N 3.39Å | ||
| 13 | T | 51.5 | Low | 49 | Very low | 122 Ų | 122 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -69.2 | 108.7 | 161.3 | 41.7 | 0 | 0 | 0 | 0 | 108.1 | F15 | T13-F15 PolarHBondContact O-N 3.35Å; T13-F15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | K | 45.7 | Very low | 49 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -70.1 | 106.8 | 170.3 | -73.3 | -173.9 | 177.5 | 178.1 | 0 | 108.6 | L12 V16 | L12-K14 PolarHBondContact O-N 3.39Å; K14-V16 PolarHBondContact O-N 2.95Å | ||
| 15 | F | 44.8 | Very low | 48.7 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -73.1 | 100.2 | 168.8 | -146.1 | -94.1 | 0 | 0 | 0 | 107.7 | T13 K17 | T13-F15 PolarHBondContact O-N 3.35Å; T13-F15 VanDerWaalsContact O-N 3.15Å; F15-K17 PolarHBondContact O-N 2.96Å; F15-K17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | V | 53.7 | Low | 48.6 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | -73.4 | 105.7 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | K14 T18 | K14-V16 PolarHBondContact O-N 2.95Å; V16-T18 PolarHBondContact O-N 3.38Å | ||
| 17 | K | 50.3 | Low | 48.6 | Very low | 189 Ų | 189 | 148 Ų | 148 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -68.8 | 110.5 | 167.9 | -73.7 | 179.1 | 176 | 176.3 | 0 | 108.2 | F15 | F15-K17 PolarHBondContact O-N 2.96Å; F15-K17 VanDerWaalsContact O-N 3.14Å | ||
| 18 | T | 51.7 | Low | 48.3 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 131.6 | 164.8 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | V16 V20 | V16-T18 PolarHBondContact O-N 3.38Å; T18-V20 PolarHBondContact O-N 3.21Å | ||
| 19 | P | 53.4 | Low | 48.8 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -74.6 | 121.3 | 174.7 | 30.4 | -30.5 | 0 | 0 | 0 | 109.3 | I21 | P19-I21 PolarHBondContact O-N 3.1Š| ||
| 20 | V | 49.7 | Very low | 49.7 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -78.3 | 100.7 | 165.8 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | T18 | T18-V20 PolarHBondContact O-N 3.21Š| ||
| 21 | I | 51.4 | Low | 50.5 | Low | 132 Ų | 132 | 145.5 Ų | 145.5 | 68% | 0.677 | 77% | 0.769 | S | S | * | * | trans | -97.4 | 113.4 | 164.9 | -60.6 | 175.8 | 0 | 0 | 0 | 107.5 | P19 | P19-I21 PolarHBondContact O-N 3.1Š| ||
| 22 | A | 42.2 | Very low | 51.2 | Low | 66 Ų | 66 | 144.6 Ų | 144.6 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | trans | -77.3 | 164.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 23 | T | 45.8 | Very low | 52 | Low | 116 Ų | 116 | 139.8 Ų | 139.8 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | 84 | 106.6 | 158.5 | 62.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 24 | H | 41.2 | Very low | 52.8 | Low | 165 Ų | 165 | 137.2 Ų | 137.2 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | 73.4 | 120 | 137.1 | -77.7 | -91.7 | 0 | 0 | 0 | 121.6 | ||||
| 25 | R | 41.6 | Very low | 53.7 | Low | 244 Ų | 244 | 133 Ų | 133 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | trans | 65.2 | 131.7 | 162.4 | -65.5 | 178.9 | -179.4 | 170.9 | 0.9 | 115.8 | ||||
| 26 | G | 46 | Very low | 54.4 | Low | 64 Ų | 64 | 131.6 Ų | 131.6 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 122.1 | 123.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | R28 | G26-R28 PolarHBondContact O-N 3.45Š|
| 27 | L | 49.7 | Very low | 54.7 | Low | 185 Ų | 185 | 130.4 Ų | 130.4 | 97% | 0.969 | 70% | 0.701 | S | S | * | * | trans | -45.7 | 104.7 | 163.9 | -72.1 | 142.4 | 0 | 0 | 0 | 108.2 | G29 | L27-G29 VanDerWaalsContact C-N 3.35Å; L27-G29 PolarHBondContact O-N 3.4Å | ||
| 28 | R | 50.7 | Low | 55 | Low | 204 Ų | 204 | 124.3 Ų | 124.3 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | -71.8 | 97.2 | 175.8 | -69.9 | -172.7 | -162 | -141.5 | -0.4 | 107 | G26 L30 | G26-R28 PolarHBondContact O-N 3.45Å; R28-L30 PolarHBondContact O-N 2.9Å | ||
| 29 | G | 53.1 | Low | 55.5 | Low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | trans | -50.3 | 130.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L27 Y31 | L27-G29 VanDerWaalsContact C-N 3.35Å; L27-G29 PolarHBondContact O-N 3.4Å; G29-Y31 PolarHBondContact O-N 3.41Å | ||
| 30 | L | 63.9 | Low | 56.2 | Low | 161 Ų | 161 | 127.5 Ų | 127.5 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | -61.2 | 120.1 | 169.6 | -63.7 | 170.4 | 0 | 0 | 0 | 106.5 | R28 V32 | R28-L30 PolarHBondContact O-N 2.9Å; L30-V32 PolarHBondContact O-N 3.16Å; L30-V32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | Y | 70.3 | Confident | 57.5 | Low | 184 Ų | 184 | 127 Ų | 127 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | trans | -61.1 | 113.8 | 168.9 | 174.3 | -96.7 | 0 | 0 | 0 | 107.3 | G29 P33 | G29-Y31 PolarHBondContact O-N 3.41Å; Y31-P33 HydrophobicContact CE1-CB 4Å | ||
| 32 | V | 67.1 | Low | 58.9 | Low | 120 Ų | 120 | 126.2 Ų | 126.2 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -99.6 | 115.5 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 106.1 | L30 | L30-V32 PolarHBondContact O-N 3.16Å; L30-V32 VanDerWaalsContact O-N 3.1Å | ||
| 33 | P | 68.2 | Low | 60.7 | Low | 42 Ų | 42 | 128.2 Ų | 128.2 | 27% | 0.273 | 68% | 0.676 | S | S | . | * | trans | -63.7 | 153.3 | 177.1 | 26.2 | -32.3 | 0 | 0 | 0 | 110.9 | Y31 E37 | Y31-P33 HydrophobicContact CE1-CB 4Å; P33-E37 HydrophobicContact CB-CB 4.43Å; P33-E37 WeakPolarHBondContact CB-OE2 3.48Å | ||
| 34 | P | 67.3 | Low | 62.3 | Low | 67 Ų | 67 | 129.7 Ų | 129.7 | 44% | 0.435 | 68% | 0.679 | S | S | . | * | trans | -54 | 144.9 | 174.6 | -21.2 | 31.4 | 0 | 0 | 0 | 111.5 | E36 E37 | P34-E36 PolarHBondContact O-N 3.26Å; P34-E37 PolarHBondContact O-N 3.18Å | ||
| 35 | P | 65 | Low | 63.8 | Low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -23 | -172.3 | 21.5 | -32.2 | 0 | 0 | 0 | 114.4 | E37 C38 | P35-E37 VanDerWaalsContact C-N 3.34Å; P35-C38 WeakPolarHBondContact O-CB 3.45Å; P35-C38 PolarHBondContact O-N 3.27Å |
| 36 | E | 59.7 | Low | 65.3 | Low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -21.5 | 179.2 | -59.3 | 178.5 | -161.4 | 0 | 0 | 113.4 | P34 | P34-E36 PolarHBondContact O-N 3.26Š|
| 37 | E | 59.4 | Low | 66.7 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 47% | 0.472 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | -24.5 | 175.1 | -65.9 | -179.5 | 173.5 | 0 | 0 | 111.6 | P33 P34 P35 E39 | P33-E37 HydrophobicContact CB-CB 4.43Å; P33-E37 WeakPolarHBondContact CB-OE2 3.48Å; P34-E37 PolarHBondContact O-N 3.18Å; P35-E37 VanDerWaalsContact C-N 3.34Å; E37-E39 PolarHBondContact O-N 3.3Å |
| 38 | C | 57.5 | Low | 68.2 | Low | 60 Ų | 60 | 125.5 Ų | 125.5 | 41% | 0.405 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -72.1 | -23.3 | -174.8 | -59.1 | 0 | 0 | 0 | 0 | 114.3 | P35 N40 D41 | P35-C38 WeakPolarHBondContact O-CB 3.45Å; P35-C38 PolarHBondContact O-N 3.27Å; C38-N40 VanDerWaalsContact C-N 3.3Å; C38-N40 PolarHBondContact O-N 3.39Å; C38-D41 PolarHBondContact O-N 3.14Å |
| 39 | E | 61.5 | Low | 69.9 | Low | 152 Ų | 152 | 123.6 Ų | 123.6 | 71% | 0.71 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -69.2 | -28.7 | -178.6 | -67.3 | -174.9 | 174.1 | 0 | 0 | 112.5 | E37 | E37-E39 PolarHBondContact O-N 3.3Š|
| 40 | N | 68.3 | Low | 71.6 | Confident | 143 Ų | 143 | 124.9 Ų | 124.9 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -86.8 | -11.8 | -179.9 | -63.9 | -67.7 | 0 | 0 | 0 | 113.5 | C38 | C38-N40 VanDerWaalsContact C-N 3.3Å; C38-N40 PolarHBondContact O-N 3.39Å |
| 41 | D | 78.5 | Confident | 72.8 | Confident | 128 Ų | 128 | 121.5 Ų | 121.5 | 68% | 0.684 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -95.5 | 3.8 | 178 | -70.8 | -38.7 | 0 | 0 | 0 | 112.5 | C38 | C38-D41 PolarHBondContact O-N 3.14Š|
| 42 | E | 79.2 | Confident | 73.8 | Confident | 115 Ų | 115 | 121.2 Ų | 121.2 | 54% | 0.537 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -60.4 | 133.8 | 172.4 | -73.3 | -158.4 | 179.9 | 0 | 0 | 110.5 | L44 K45 | E42-L44 PolarHBondContact O-N 3.25Å; E42-L44 VanDerWaalsContact O-N 3.16Å; E42-K45 IonicContact OE2-NZ 3.35Å; E42-K45 PolarHBondContact OE2-NZ 2.93Å |
| 43 | P | 81.2 | Confident | 75 | Confident | 107 Ų | 107 | 121.3 Ų | 121.3 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | -61.3 | 125.8 | 176 | 25.9 | -33 | 0 | 0 | 0 | 109.1 | K45 | P43-K45 PolarHBondContact O-N 3.17Š| ||
| 44 | L | 77.9 | Confident | 76.1 | Confident | 147 Ų | 147 | 127.8 Ų | 127.8 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | trans | -54.2 | 107.3 | 174.4 | -67.1 | 173.2 | 0 | 0 | 0 | 109.5 | E42 E46 L47 | E42-L44 PolarHBondContact O-N 3.25Å; E42-L44 VanDerWaalsContact O-N 3.16Å; L44-E46 PolarHBondContact O-N 3.2Å; L44-L47 HydrophobicContact CB-CD1 3.89Å; L44-L47 HydrophobicContact CD1-CD1 3.95Å | ||
| 45 | K | 72.8 | Confident | 77.3 | Confident | 171 Ų | 171 | 129.9 Ų | 129.9 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -14.9 | -177.2 | -67.2 | 170.4 | -173.7 | 149.1 | 0 | 112.6 | E42 P43 | E42-K45 IonicContact OE2-NZ 3.35Å; E42-K45 PolarHBondContact OE2-NZ 2.93Å; P43-K45 PolarHBondContact O-N 3.17Å |
| 46 | E | 73.3 | Confident | 78.6 | Confident | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 50 | -169.5 | -60.1 | -171.4 | -176.7 | 0 | 0 | 114.3 | L44 | L44-E46 PolarHBondContact O-N 3.2Š|
| 47 | L | 76.1 | Confident | 80.2 | Confident | 95 Ų | 95 | 134.2 Ų | 134.2 | 50% | 0.497 | 68% | 0.679 | S | S | . | * | trans | -88.8 | 107 | 162.4 | -101.8 | 78.3 | 0 | 0 | 0 | 110.7 | L44 K49 P51 | L44-L47 HydrophobicContact CB-CD1 3.89Å; L44-L47 HydrophobicContact CD1-CD1 3.95Å; L47-K49 PolarHBondContact O-N 3.3Å; L47-P51 HydrophobicContact CD2-CG 3.78Å | ||
| 48 | S | 81.1 | Confident | 81.9 | Confident | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -59.7 | -25.2 | 177.4 | 61.3 | 0 | 0 | 0 | 0 | 114 | ||
| 49 | K | 87.4 | Confident | 83.6 | Confident | 165 Ų | 165 | 134.3 Ų | 134.3 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -142.5 | 143.6 | 177.6 | -65 | 179.6 | -176.1 | 170.4 | 0 | 110.1 | L47 | L47-K49 PolarHBondContact O-N 3.3Š|
| 50 | N | 88.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 129.1 Ų | 129.1 | 51% | 0.508 | 65% | 0.648 | S | S | . | * | trans | -71.6 | 121.5 | 176.8 | -179.7 | -10 | 0 | 0 | 0 | 110.1 | F52 E53 | N50-F52 PolarHBondContact O-N 2.75Å; N50-F52 PolarHBondContact OD1-N 3.15Å; N50-E53 HydrophobicContact CB-CB 4.2Å; N50-E53 WeakPolarHBondContact O-CB 3.36Å; N50-E53 PolarHBondContact O-N 3.23Å | ||
| 51 | P | 88.2 | Confident | 86.5 | Confident | 91 Ų | 91 | 122.5 Ų | 122.5 | 59% | 0.591 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -16.2 | -176.5 | 29.6 | -31.4 | 0 | 0 | 0 | 112.5 | L47 | L47-P51 HydrophobicContact CD2-CG 3.78Š|
| 52 | F | 91.1 | Very high | 87.4 | Confident | 177 Ų | 177 | 118.6 Ų | 118.6 | 78% | 0.776 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 7.8 | 176.4 | -53.2 | -72.5 | 0 | 0 | 0 | 112.8 | N50 K54 | N50-F52 PolarHBondContact O-N 2.75Å; N50-F52 PolarHBondContact OD1-N 3.15Å; F52-K54 PolarHBondContact O-N 3.25Å |
| 53 | E | 92.4 | Very high | 88.2 | Confident | 123 Ų | 123 | 121.9 Ų | 121.9 | 58% | 0.575 | 60% | 0.602 | S | S | * | * | trans | -65.7 | 115.7 | 178.1 | -169.6 | 176.5 | 176.4 | 0 | 0 | 110.6 | N50 | N50-E53 HydrophobicContact CB-CB 4.2Å; N50-E53 WeakPolarHBondContact O-CB 3.36Å; N50-E53 PolarHBondContact O-N 3.23Å | ||
| 54 | K | 93.1 | Very high | 88.9 | Confident | 178 Ų | 178 | 124.1 Ų | 124.1 | 77% | 0.774 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 144.8 | 174.8 | -66.4 | 178.5 | -177.1 | 175.2 | 0 | 109.9 | F52 K56 | F52-K54 PolarHBondContact O-N 3.25Å; K54-K56 PolarHBondContact O-N 3.44Å |
| 55 | P | 92.6 | Very high | 89.7 | Confident | 110 Ų | 110 | 120.4 Ų | 120.4 | 71% | 0.714 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.4 | 175.7 | 26.4 | -34.5 | 0 | 0 | 0 | 110.7 | Q57 | P55-Q57 PolarHBondContact O-N 3.27Š|
| 56 | K | 92.2 | Very high | 90.8 | Very high | 178 Ų | 178 | 115.5 Ų | 115.5 | 77% | 0.774 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 130 | 178.2 | -65 | -178.5 | -178.9 | 178.1 | 0 | 110.5 | K54 K58 | K54-K56 PolarHBondContact O-N 3.44Å; K56-K58 PolarHBondContact O-N 3.35Å |
| 57 | Q | 92.1 | Very high | 91.9 | Very high | 179 Ų | 179 | 112.4 Ų | 112.4 | 84% | 0.836 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 129.7 | 178.1 | -62.6 | -61.2 | -28.2 | 0 | 0 | 110.4 | P55 | P55-Q57 PolarHBondContact O-N 3.27Š|
| 58 | K | 94.6 | Very high | 92.8 | Very high | 156 Ų | 156 | 108 Ų | 108 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -100.7 | 147.1 | 178.7 | -66.5 | -178.7 | -178.5 | 178.2 | 0 | 110.2 | K56 C62 R63 | K56-K58 PolarHBondContact O-N 3.35Å; K58-C62 HydrophobicContact CB-CB 4.27Å; K58-R63 HydrophobicContact CB-CB 4.41Å |
| 59 | C | 95 | Very high | 93.6 | Very high | 6 Ų | 6 | 105.3 Ų | 105.3 | 4% | 0.041 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 158.3 | 171.7 | 84.7 | 0 | 0 | 0 | 0 | 111.9 | L61 C62 R63 L95 C96 | C59-L61 VanDerWaalsContact C-N 3.34Å; C59-L61 PolarHBondContact O-N 3.33Å; C59-C62 HydrophobicContact CB-CB 4.13Å; C59-C62 WeakPolarHBondContact CB-SG 3.36Å; C59-C62 CarbonylContact O-C 3.59Å; C59-C62 WeakPolarHBondContact O-CB 3.35Å; C59-C62 PolarHBondContact O-N 2.64Å; C59-C62 VanDerWaalsContact O-N 3.07Å; C59-C62 WeakPolarHBondContact SG-CB 3.49Å; C59-C62 PolarHBondContact SG-N 3.19Å; C59-C62 CovalentContact SG-SG 2.08Å; C59-C62 PolarHBondContact SG-SG 3.31Å; C59-R63 WeakPolarHBondContact O-CB 3.34Å; C59-R63 PolarHBondContact O-N 3.4Å; C59-L95 HydrophobicContact CB-CD2 4.15Å; C59-C96 HydrophobicContact CB-CB 4.36Å |
| 60 | I | 94.6 | Very high | 94.1 | Very high | 44 Ų | 44 | 101.9 Ų | 101.9 | 23% | 0.226 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -54.1 | -50 | -179.4 | -60.3 | 168.4 | 0 | 0 | 0 | 111 | C62 R63 Y64 L131 | I60-C62 VanDerWaalsContact C-N 3.34Å; I60-C62 PolarHBondContact O-N 3.16Å; I60-R63 PolarHBondContact O-N 3.35Å; I60-Y64 HydrophobicContact CG2-CD2 4.07Å; I60-Y64 HydrophobicContact CG2-CE2 4.06Å; I60-Y64 WeakPolarHBondContact O-CD2 3.44Å; I60-Y64 PolarHBondContact O-N 3.15Å; I60-L131 HydrophobicContact CD1-CB 4.24Å |
| 61 | L | 96.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 104 Ų | 104 | 2% | 0.016 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 178.3 | -62.8 | 176.9 | 0 | 0 | 0 | 112.7 | C59 G65 I66 F79 L95 Q99 | C59-L61 VanDerWaalsContact C-N 3.34Å; C59-L61 PolarHBondContact O-N 3.33Å; L61-G65 PolarHBondContact O-N 2.93Å; L61-I66 HydrophobicContact CD2-CB 4.15Å; L61-I66 HydrophobicContact CD2-CG2 4.22Å; L61-I66 PolarHBondContact O-N 2.91Å; L61-F79 HydrophobicContact CD1-CZ 4.19Å; L61-F79 HydrophobicContact CD2-CE2 4.41Å; L61-F79 HydrophobicContact CD2-CZ 4.06Å; L61-F79 HydrophobicContact CG-CZ 4.2Å; L61-L95 HydrophobicContact CB-CD2 4.35Å; L61-L95 HydrophobicContact CD1-CD1 3.96Å; L61-L95 HydrophobicContact CD1-CD2 3.88Å; L61-L95 HydrophobicContact CG-CD2 3.84Å; L61-Q99 HydrophobicContact CB-CG 4.38Å; L61-Q99 HydrophobicContact CD1-CB 4.23Å |
| 62 | C | 96.5 | Very high | 95 | Very high | 46 Ų | 46 | 103.5 Ų | 103.5 | 31% | 0.311 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -35.7 | 179.5 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | K58 C59 I60 | K58-C62 HydrophobicContact CB-CB 4.27Å; C59-C62 HydrophobicContact CB-CB 4.13Å; C59-C62 WeakPolarHBondContact CB-SG 3.36Å; C59-C62 CarbonylContact O-C 3.59Å; C59-C62 WeakPolarHBondContact O-CB 3.35Å; C59-C62 PolarHBondContact O-N 2.64Å; C59-C62 VanDerWaalsContact O-N 3.07Å; C59-C62 WeakPolarHBondContact SG-CB 3.49Å; C59-C62 PolarHBondContact SG-N 3.19Å; C59-C62 CovalentContact SG-SG 2.08Å; C59-C62 PolarHBondContact SG-SG 3.31Å; I60-C62 VanDerWaalsContact C-N 3.34Å; I60-C62 PolarHBondContact O-N 3.16Å |
| 63 | R | 95.9 | Very high | 95.2 | Very high | 184 Ų | 184 | 95.5 Ų | 95.5 | 69% | 0.694 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.2 | -38.6 | -180 | -175.6 | 178.9 | -179.6 | 178.9 | -0.6 | 111.2 | K58 C59 I60 | K58-R63 HydrophobicContact CB-CB 4.41Å; C59-R63 WeakPolarHBondContact O-CB 3.34Å; C59-R63 PolarHBondContact O-N 3.4Å; I60-R63 PolarHBondContact O-N 3.35Å |
| 64 | Y | 95.5 | Very high | 95.4 | Very high | 155 Ų | 155 | 96.6 Ų | 96.6 | 61% | 0.608 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -95.1 | -2.8 | 179.3 | -63.7 | -67.5 | 0 | 0 | 0 | 114.2 | I60 I66 | I60-Y64 HydrophobicContact CG2-CD2 4.07Å; I60-Y64 HydrophobicContact CG2-CE2 4.06Å; I60-Y64 WeakPolarHBondContact O-CD2 3.44Å; I60-Y64 PolarHBondContact O-N 3.15Å; Y64-I66 HydrophobicContact CG-CD1 4.33Å; Y64-I66 PolarHBondContact O-N 3.37Å |
| 65 | G | 95.3 | Very high | 95.5 | Very high | 69 Ų | 69 | 89.7 Ų | 89.7 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 24.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L61 | L61-G65 PolarHBondContact O-N 2.93Š|
| 66 | I | 95.9 | Very high | 95.7 | Very high | 67 Ų | 67 | 84.4 Ų | 84.4 | 34% | 0.344 | 40% | 0.396 | S | S | . | . | trans | -85.5 | 128.7 | -174.7 | -59.7 | 168 | 0 | 0 | 0 | 109.7 | L61 Y64 L75 | L61-I66 HydrophobicContact CD2-CB 4.15Å; L61-I66 HydrophobicContact CD2-CG2 4.22Å; L61-I66 PolarHBondContact O-N 2.91Å; Y64-I66 HydrophobicContact CG-CD1 4.33Å; Y64-I66 PolarHBondContact O-N 3.37Å; I66-L75 HydrophobicContact CG2-CD2 3.76Å | ||
| 67 | F | 95.8 | Very high | 95.9 | Very high | 117 Ų | 117 | 76 Ų | 76 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | trans | -94.1 | 130 | 172.7 | -176.4 | -101.6 | 0 | 0 | 0 | 110.7 | D69 L102 | F67-D69 WeakPolarHBondContact CD1-OD1 3.48Å; F67-D69 VanDerWaalsContact CE1-OD1 3.32Å; F67-D69 WeakPolarHBondContact CE1-OD1 3.14Å; F67-D69 PolarHBondContact O-N 3.32Å; F67-L102 HydrophobicContact CE2-CD1 4.09Å | ||
| 68 | P | 96.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | trans | -78.9 | 88.4 | -178.8 | 31.3 | -34.3 | 0 | 0 | 0 | 111.5 | L76 L102 L103 A106 | P68-L76 HydrophobicContact CB-CD2 4.38Å; P68-L102 HydrophobicContact CG-CB 3.86Å; P68-L103 HydrophobicContact CB-CD1 4.12Å; P68-A106 VanDerWaalsContact O-CB 3.26Å; P68-A106 WeakPolarHBondContact O-CB 3.44Å | ||
| 69 | D | 97.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.353 | 30% | 0.296 | S | S | . | . | trans | -73.6 | 139.7 | 173.6 | -71.7 | -49.1 | 0 | 0 | 0 | 112.7 | F67 K71 N72 | F67-D69 WeakPolarHBondContact CD1-OD1 3.48Å; F67-D69 VanDerWaalsContact CE1-OD1 3.32Å; F67-D69 WeakPolarHBondContact CE1-OD1 3.14Å; F67-D69 PolarHBondContact O-N 3.32Å; D69-K71 PolarHBondContact O-N 3.34Å; D69-N72 PolarHBondContact O-N 2.9Å | ||
| 70 | Y | 97.9 | Very high | 96.2 | Very high | 93 Ų | 93 | 61.9 Ų | 61.9 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.2 | 177.3 | 71.6 | -88 | 0 | 0 | 0 | 113.7 | A106 I109 S110 L115 | Y70-A106 WeakPolarHBondContact CB-O 3.26Å; Y70-I109 HydrophobicContact CD1-CG2 4.24Å; Y70-I109 HydrophobicContact CD2-CG2 3.65Å; Y70-I109 HydrophobicContact CE2-CG2 4.23Å; Y70-I109 HydrophobicContact CG-CB 4.33Å; Y70-I109 HydrophobicContact CG-CG2 3.65Å; Y70-S110 WeakPolarHBondContact O-CB 3.42Å; Y70-S110 PolarHBondContact O-OG 3.19Å; Y70-L115 HydrophobicContact CD2-CD1 4.26Å |
| 71 | K | 97.6 | Very high | 96.3 | Very high | 140 Ų | 140 | 60.5 Ų | 60.5 | 61% | 0.609 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -26.2 | 179.2 | -57.1 | 179.3 | -168.7 | 177.1 | 0 | 112.3 | D69 A73 | D69-K71 PolarHBondContact O-N 3.34Å; K71-A73 PolarHBondContact O-N 3.4Å |
| 72 | N | 96.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | trans | -88.4 | 71.7 | -172.9 | -67.2 | -19.6 | 0 | 0 | 0 | 111.1 | D69 R74 L75 L76 | D69-N72 PolarHBondContact O-N 2.9Å; N72-R74 PolarHBondContact O-N 3Å; N72-R74 VanDerWaalsContact O-N 3.16Å; N72-L75 HydrophobicContact CB-CB 4.33Å; N72-L75 PolarHBondContact O-N 3.27Å; N72-L75 VanDerWaalsContact O-N 3.14Å; N72-L76 WeakPolarHBondContact O-CG 3.3Å; N72-L76 PolarHBondContact O-N 3.45Å | ||
| 73 | A | 96 | Very high | 95.9 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.5 | -35.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K71 L76 S77 M116 Y125 | K71-A73 PolarHBondContact O-N 3.4Å; A73-L76 PolarHBondContact O-N 3.03Å; A73-S77 WeakPolarHBondContact O-CB 3.4Å; A73-S77 PolarHBondContact O-N 3.31Å; A73-S77 PolarHBondContact O-OG 3.01Å; A73-M116 HydrophobicContact CB-CB 4.49Å; A73-Y125 HydrophobicContact CB-CE2 4.21Å |
| 74 | R | 96 | Very high | 95.8 | Very high | 145 Ų | 145 | 61.6 Ų | 61.6 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -49 | 177.1 | -172.7 | 174.5 | -173.6 | -170.7 | 0.1 | 112.9 | N72 S77 Y125 D128 | N72-R74 PolarHBondContact O-N 3Å; N72-R74 VanDerWaalsContact O-N 3.16Å; R74-S77 PolarHBondContact O-N 3.37Å; R74-Y125 HydrophobicContact CB-CD1 4.03Å; R74-Y125 HydrophobicContact CB-CE1 3.64Å; R74-Y125 HydrophobicContact CG-CD1 3.7Å; R74-Y125 HydrophobicContact CG-CE1 3.74Å; R74-Y125 HydrophobicContact CG-CG 4.43Å; R74-D128 WeakPolarHBondContact CG-OD2 3.46Å; R74-D128 IonicContact CZ-OD1 3.44Å; R74-D128 IonicContact NE-OD1 3.18Å; R74-D128 PolarHBondContact NE-OD1 3.01Å; R74-D128 IonicContact NE-OD2 3.41Å; R74-D128 PolarHBondContact NE-OD2 2.94Å; R74-D128 IonicContact NH2-OD1 2.8Å; R74-D128 PolarHBondContact NH2-OD1 3.38Å |
| 75 | L | 96.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 179.4 | 178.2 | 69.3 | 0 | 0 | 0 | 110.8 | I66 N72 S77 Q78 F79 | I66-L75 HydrophobicContact CG2-CD2 3.76Å; N72-L75 HydrophobicContact CB-CB 4.33Å; N72-L75 PolarHBondContact O-N 3.27Å; N72-L75 VanDerWaalsContact O-N 3.14Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.47Å; L75-Q78 WeakPolarHBondContact O-CB 3.38Å; L75-Q78 PolarHBondContact O-N 3.47Å; L75-Q78 VanDerWaalsContact O-N 3.17Å; L75-F79 HydrophobicContact CD1-CE2 4.31Å; L75-F79 HydrophobicContact CG-CE2 4.44Å; L75-F79 WeakPolarHBondContact O-CD2 3.42Å |
| 76 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | -179.7 | -60.5 | -179.5 | 0 | 0 | 0 | 111.6 | P68 N72 A73 Q78 F79 L103 A106 I107 M116 | P68-L76 HydrophobicContact CB-CD2 4.38Å; N72-L76 WeakPolarHBondContact O-CG 3.3Å; N72-L76 PolarHBondContact O-N 3.45Å; A73-L76 PolarHBondContact O-N 3.03Å; L76-Q78 PolarHBondContact O-N 3.17Å; L76-F79 PolarHBondContact O-N 3.15Å; L76-F79 VanDerWaalsContact O-N 3.07Å; L76-L103 HydrophobicContact CD2-CD1 3.55Å; L76-A106 HydrophobicContact CD1-CB 4.39Å; L76-A106 HydrophobicContact CD2-CB 3.99Å; L76-I107 HydrophobicContact CB-CG1 4.07Å; L76-I107 HydrophobicContact CD1-CG1 4.27Å; L76-I107 HydrophobicContact CD2-CG1 4.12Å; L76-I107 HydrophobicContact CG-CG1 4.38Å; L76-M116 HydrophobicContact CB-SD 4.07Å |
| 77 | S | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -20.4 | 179 | -65.8 | 0 | 0 | 0 | 0 | 113.7 | A73 R74 L75 F79 L80 K121 Y125 | A73-S77 WeakPolarHBondContact O-CB 3.4Å; A73-S77 PolarHBondContact O-N 3.31Å; A73-S77 PolarHBondContact O-OG 3.01Å; R74-S77 PolarHBondContact O-N 3.37Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.47Å; S77-F79 VanDerWaalsContact C-N 3.3Å; S77-L80 PolarHBondContact O-N 3.33Å; S77-K121 WeakPolarHBondContact O-CD 3.03Å; S77-K121 WeakPolarHBondContact O-CE 3.11Å; S77-K121 PolarHBondContact O-NZ 3.2Å; S77-Y125 WeakPolarHBondContact OG-CD2 3.41Å |
| 78 | Q | 95.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -26.9 | 174.7 | -68.2 | 177.5 | -20.8 | 0 | 0 | 112.6 | L75 L76 L80 L131 | L75-Q78 WeakPolarHBondContact O-CB 3.38Å; L75-Q78 PolarHBondContact O-N 3.47Å; L75-Q78 VanDerWaalsContact O-N 3.17Å; L76-Q78 PolarHBondContact O-N 3.17Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L131 HydrophobicContact CB-CD1 4.28Å |
| 79 | F | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.6 | 178.4 | -61.9 | -80.8 | 0 | 0 | 0 | 113.5 | L61 L75 L76 S77 L87 Y88 T93 L95 L103 L131 F132 | L61-F79 HydrophobicContact CD1-CZ 4.19Å; L61-F79 HydrophobicContact CD2-CE2 4.41Å; L61-F79 HydrophobicContact CD2-CZ 4.06Å; L61-F79 HydrophobicContact CG-CZ 4.2Å; L75-F79 HydrophobicContact CD1-CE2 4.31Å; L75-F79 HydrophobicContact CG-CE2 4.44Å; L75-F79 WeakPolarHBondContact O-CD2 3.42Å; L76-F79 PolarHBondContact O-N 3.15Å; L76-F79 VanDerWaalsContact O-N 3.07Å; S77-F79 VanDerWaalsContact C-N 3.3Å; F79-L87 HydrophobicContact CB-CD1 3.81Å; F79-L87 WeakPolarHBondContact O-CD1 3.37Å; F79-Y88 WeakPolarHBondContact O-CD2 3.28Å; F79-Y88 PolarHBondContact O-N 3.45Å; F79-Y88 VanDerWaalsContact O-N 3.1Å; F79-T93 HydrophobicContact CD1-CG2 4.13Å; F79-L95 HydrophobicContact CD1-CD1 4.16Å; F79-L95 HydrophobicContact CE1-CD1 3.78Å; F79-L95 HydrophobicContact CE1-CD2 4.32Å; F79-L95 HydrophobicContact CE1-CG 4.27Å; F79-L95 HydrophobicContact CZ-CD1 4.32Å; F79-L103 HydrophobicContact CB-CD2 3.73Å; F79-L103 HydrophobicContact CD1-CD2 3.84Å; F79-L103 HydrophobicContact CD2-CD1 3.69Å; F79-L103 HydrophobicContact CD2-CD2 3.85Å; F79-L103 HydrophobicContact CD2-CG 4.42Å; F79-L103 HydrophobicContact CE1-CD2 4.44Å; F79-L103 HydrophobicContact CE2-CD1 4.14Å; F79-L103 HydrophobicContact CE2-CD2 4.43Å; F79-L103 HydrophobicContact CG-CD1 4.22Å; F79-L103 HydrophobicContact CG-CD2 3.52Å; F79-L103 HydrophobicContact CG-CG 4.48Å; F79-L131 HydrophobicContact CE1-CD1 4.08Å; F79-L131 HydrophobicContact CE2-CD1 4.3Å; F79-L131 HydrophobicContact CZ-CD1 3.75Å; F79-F132 AromaticContact CD1-CE1 3.69Å; F79-F132 HydrophobicContact CD1-CE1 3.69Å; F79-F132 HydrophobicContact CD1-CZ 4.17Å; F79-F132 AromaticContact CE1-CE1 3.99Å; F79-F132 HydrophobicContact CE1-CE1 3.99Å |
| 80 | L | 96.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 149.7 | 177.9 | -60.4 | -173.8 | 0 | 0 | 0 | 111.7 | S77 Q78 R86 L87 Y88 I107 M116 | S77-L80 PolarHBondContact O-N 3.33Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; L80-R86 CarbonylContact C-O 3.6Å; L80-R86 WeakPolarHBondContact CA-O 3.29Å; L80-L87 HydrophobicContact CD2-CB 3.94Å; L80-L87 HydrophobicContact CD2-CD1 4.27Å; L80-Y88 WeakPolarHBondContact O-CE2 3.43Å; L80-I107 HydrophobicContact CD2-CD1 3.95Å; L80-M116 HydrophobicContact CD1-CE 3.76Å; L80-M116 HydrophobicContact CD1-SD 3.51Å; L80-M116 VanDerWaalsContact CD1-SD 3.51Å |
| 81 | S | 95.1 | Very high | 95.5 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | trans | -63.1 | 131.9 | 166.7 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | F83 S84 G85 R86 Y88 | S81-F83 VanDerWaalsContact C-N 3.27Å; S81-F83 PolarHBondContact O-N 3.06Å; S81-S84 WeakPolarHBondContact CB-OG 3.28Å; S81-S84 PolarHBondContact OG-N 3.45Å; S81-S84 PolarHBondContact OG-OG 3.04Å; S81-S84 VanDerWaalsContact OG-OG 3.04Å; S81-G85 WeakPolarHBondContact O-CA 3.32Å; S81-G85 PolarHBondContact O-N 3Å; S81-R86 PolarHBondContact N-O 3.28Å; S81-Y88 WeakPolarHBondContact CA-OH 3.16Å | ||
| 82 | S | 93.5 | Very high | 95.4 | Very high | 23 Ų | 23 | 52 Ų | 52 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -37.6 | 177.7 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 83 | F | 92 | Very high | 95.3 | Very high | 185 Ų | 185 | 48.2 Ų | 48.2 | 81% | 0.811 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -39.3 | -172.6 | -58.1 | -75.2 | 0 | 0 | 0 | 113.4 | S81 | S81-F83 VanDerWaalsContact C-N 3.27Å; S81-F83 PolarHBondContact O-N 3.06Å |
| 84 | S | 93.9 | Very high | 95.2 | Very high | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -10.4 | -172.4 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | S81 R86 L119 | S81-S84 WeakPolarHBondContact CB-OG 3.28Å; S81-S84 PolarHBondContact OG-N 3.45Å; S81-S84 PolarHBondContact OG-OG 3.04Å; S81-S84 VanDerWaalsContact OG-OG 3.04Å; S84-R86 PolarHBondContact O-N 2.95Å; S84-R86 WeakPolarHBondContact OG-CB 3.29Å; S84-R86 PolarHBondContact OG-N 3.37Å; S84-L119 CarbonylContact C-O 3.6Å; S84-L119 VanDerWaalsContact O-O 3.13Å |
| 85 | G | 94.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | trans | 62.8 | 5.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S81 R111 L119 | S81-G85 WeakPolarHBondContact O-CA 3.32Å; S81-G85 PolarHBondContact O-N 3Å; G85-R111 PolarHBondContact O-NH2 3.25Å; G85-L119 PolarHBondContact N-O 3.45Å | ||
| 86 | R | 95.7 | Very high | 95.2 | Very high | 190 Ų | 190 | 41.9 Ų | 41.9 | 72% | 0.717 | 20% | 0.2 | S | C | * | . | P | Polyproline II helix | trans | -72.6 | 142.3 | 179.7 | -67.3 | 178.3 | 175.5 | 169.1 | -1.3 | 110.7 | L80 S81 S84 | L80-R86 CarbonylContact C-O 3.6Å; L80-R86 WeakPolarHBondContact CA-O 3.29Å; S81-R86 PolarHBondContact N-O 3.28Å; S84-R86 PolarHBondContact O-N 2.95Å; S84-R86 WeakPolarHBondContact OG-CB 3.29Å; S84-R86 PolarHBondContact OG-N 3.37Å |
| 87 | L | 96.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -72.5 | 130.9 | 174.1 | 174.1 | 59.8 | 0 | 0 | 0 | 109.8 | F79 L80 L103 E104 I107 | F79-L87 HydrophobicContact CB-CD1 3.81Å; F79-L87 WeakPolarHBondContact O-CD1 3.37Å; L80-L87 HydrophobicContact CD2-CB 3.94Å; L80-L87 HydrophobicContact CD2-CD1 4.27Å; L87-L103 HydrophobicContact CD1-CD2 3.88Å; L87-L103 HydrophobicContact CD1-CG 4.41Å; L87-E104 HydrophobicContact CD2-CB 4.34Å; L87-E104 HydrophobicContact CD2-CG 3.36Å; L87-I107 HydrophobicContact CD1-CD1 3.61Å; L87-I107 HydrophobicContact CD2-CD1 3.97Å; L87-I107 HydrophobicContact CG-CD1 4.24Å |
| 88 | Y | 95.9 | Very high | 95.2 | Very high | 39 Ų | 39 | 54 Ų | 54 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 142.2 | 173.5 | -67.3 | -63.5 | 0 | 0 | 0 | 111.8 | F79 L80 S81 I92 T93 Q100 F132 P134 | F79-Y88 WeakPolarHBondContact O-CD2 3.28Å; F79-Y88 PolarHBondContact O-N 3.45Å; F79-Y88 VanDerWaalsContact O-N 3.1Å; L80-Y88 WeakPolarHBondContact O-CE2 3.43Å; S81-Y88 WeakPolarHBondContact CA-OH 3.16Å; Y88-I92 HydrophobicContact CD1-CD1 3.88Å; Y88-I92 HydrophobicContact CD1-CG2 4.19Å; Y88-I92 HydrophobicContact CG-CG2 4.27Å; Y88-T93 WeakPolarHBondContact O-CG2 3.49Å; Y88-Q100 PolarHBondContact O-NE2 3.1Å; Y88-F132 AromaticContact CD2-CE2 3.47Å; Y88-F132 HydrophobicContact CD2-CE2 3.47Å; Y88-F132 VanDerWaalsContact CD2-CE2 3.47Å; Y88-F132 AromaticContact CD2-CZ 3.61Å; Y88-F132 HydrophobicContact CD2-CZ 3.61Å; Y88-F132 HydrophobicContact CE2-CE2 4.02Å; Y88-F132 HydrophobicContact CE2-CZ 4.35Å; Y88-F132 AromaticContact CG-CE2 3.86Å; Y88-F132 HydrophobicContact CG-CE2 3.86Å; Y88-F132 HydrophobicContact CG-CZ 4.19Å; Y88-P134 HydrophobicContact CD1-CB 4.34Å; Y88-P134 HydrophobicContact CD1-CG 4.49Å; Y88-P134 HydrophobicContact CE1-CB 3.66Å; Y88-P134 HydrophobicContact CE1-CG 3.7Å; Y88-P134 HydrophobicContact CE2-CG 3.98Å; Y88-P134 VanDerWaalsContact OH-CG 3.28Å; Y88-P134 WeakPolarHBondContact OH-CG 3.35Å |
| 89 | Q | 95.2 | Very high | 95.2 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 164.9 | 179.6 | -62.7 | -175.6 | 17.6 | 0 | 0 | 112.2 | H91 I92 T93 | Q89-H91 PolarHBondContact O-N 2.81Å; Q89-H91 VanDerWaalsContact O-N 3.16Å; Q89-H91 PolarHBondContact OE1-CE1 2.88Å; Q89-H91 PolarHBondContact OE1-ND1 2.98Å; Q89-I92 PolarHBondContact O-N 3.3Å; Q89-T93 PolarHBondContact O-N 3.45Å; Q89-T93 PolarHBondContact O-OG1 2.88Å |
| 90 | K | 94.8 | Very high | 95.3 | Very high | 85 Ų | 85 | 54 Ų | 54 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.8 | -33 | -178.7 | -179 | -177.7 | 173.2 | -171.2 | 0 | 114.5 | I92 G94 E97 Q100 R139 | K90-I92 VanDerWaalsContact C-N 3.28Å; K90-G94 PolarHBondContact O-N 2.08Å; K90-G94 VanDerWaalsContact O-N 3.15Å; K90-E97 IonicContact NZ-OE2 3.75Å; K90-Q100 HydrophobicContact CB-CG 4.42Å; K90-R139 PolarHBondContact O-NH1 3.33Å |
| 91 | H | 94.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.2 | -26.9 | -179.6 | 68.4 | -96.6 | 0 | 0 | 0 | 112.3 | Q89 Q138 R139 N141 | Q89-H91 PolarHBondContact O-N 2.81Å; Q89-H91 VanDerWaalsContact O-N 3.16Å; Q89-H91 PolarHBondContact OE1-CE1 2.88Å; Q89-H91 PolarHBondContact OE1-ND1 2.98Å; H91-Q138 PolarHBondContact O-N 3.07Å; H91-R139 HydrophobicContact CB-CB 4.22Å; H91-R139 PolarHBondContact O-N 3.41Å; H91-N141 PolarHBondContact CE1-OD1 3.27Å |
| 92 | I | 95.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -85.6 | -52.8 | 176 | -53.3 | 178.3 | 0 | 0 | 0 | 110.6 | Y88 Q89 K90 G94 F132 P134 P137 | Y88-I92 HydrophobicContact CD1-CD1 3.88Å; Y88-I92 HydrophobicContact CD1-CG2 4.19Å; Y88-I92 HydrophobicContact CG-CG2 4.27Å; Q89-I92 PolarHBondContact O-N 3.3Å; K90-I92 VanDerWaalsContact C-N 3.28Å; I92-G94 VanDerWaalsContact C-N 3.29Å; I92-G94 PolarHBondContact O-N 3.27Å; I92-F132 HydrophobicContact CG2-CD2 3.69Å; I92-F132 HydrophobicContact CG2-CE2 3.7Å; I92-P134 HydrophobicContact CG2-CB 4.2Å; I92-P137 HydrophobicContact CG1-CB 4.45Å |
| 93 | T | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -23.6 | -173.3 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | F79 Y88 Q89 L95 Q100 F132 | F79-T93 HydrophobicContact CD1-CG2 4.13Å; Y88-T93 WeakPolarHBondContact O-CG2 3.49Å; Q89-T93 PolarHBondContact O-N 3.45Å; Q89-T93 PolarHBondContact O-OG1 2.88Å; T93-L95 PolarHBondContact O-N 2.95Å; T93-L95 PolarHBondContact OG1-N 2.94Å; T93-Q100 PolarHBondContact OG1-OE1 3.01Å; T93-Q100 VanDerWaalsContact OG1-OE1 3.04Å; T93-F132 HydrophobicContact CG2-CE1 3.99Å; T93-F132 HydrophobicContact CG2-CE2 4.27Å; T93-F132 HydrophobicContact CG2-CZ 3.67Å |
| 94 | G | 94.1 | Very high | 96 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | trans | 71.8 | 6.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K90 I92 R139 | K90-G94 PolarHBondContact O-N 2.08Å; K90-G94 VanDerWaalsContact O-N 3.15Å; I92-G94 VanDerWaalsContact C-N 3.29Å; I92-G94 PolarHBondContact O-N 3.27Å; G94-R139 VanDerWaalsContact C-NH1 3.32Å; G94-R139 PolarHBondContact O-NH1 2.8Å; G94-R139 PolarHBondContact O-NH2 3.32Å | ||
| 95 | L | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -68.9 | 156.1 | -176.7 | -65.6 | -179.3 | 0 | 0 | 0 | 113.3 | C59 L61 F79 T93 L103 R139 | C59-L95 HydrophobicContact CB-CD2 4.15Å; L61-L95 HydrophobicContact CB-CD2 4.35Å; L61-L95 HydrophobicContact CD1-CD1 3.96Å; L61-L95 HydrophobicContact CD1-CD2 3.88Å; L61-L95 HydrophobicContact CG-CD2 3.84Å; F79-L95 HydrophobicContact CD1-CD1 4.16Å; F79-L95 HydrophobicContact CE1-CD1 3.78Å; F79-L95 HydrophobicContact CE1-CD2 4.32Å; F79-L95 HydrophobicContact CE1-CG 4.27Å; F79-L95 HydrophobicContact CZ-CD1 4.32Å; T93-L95 PolarHBondContact O-N 2.95Å; T93-L95 PolarHBondContact OG1-N 2.94Å; L95-L103 HydrophobicContact CD1-CD2 3.76Å; L95-R139 PolarHBondContact O-NH1 3.18Å | ||
| 96 | C | 95.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 34% | 0.338 | 27% | 0.274 | S | S | . | . | trans | -68.7 | 150.8 | 165.8 | -67 | 0 | 0 | 0 | 0 | 109.2 | C59 K98 Q99 Q100 | C59-C96 HydrophobicContact CB-CB 4.36Å; C96-K98 VanDerWaalsContact C-N 3.29Å; C96-K98 PolarHBondContact O-N 3.21Å; C96-Q99 PolarHBondContact O-N 3.18Å; C96-Q100 PolarHBondContact O-N 3.25Å | ||
| 97 | E | 95.8 | Very high | 96.5 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.2 | -39.7 | -178.1 | -174.7 | 168.5 | 175.3 | 0 | 0 | 113.3 | K90 Q99 Q100 R101 | K90-E97 IonicContact NZ-OE2 3.75Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 3.1Å; E97-Q100 PolarHBondContact O-N 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.45Å; E97-R101 PolarHBondContact O-N 2.81Å; E97-R101 IonicContact OE1-CZ 3.38Å; E97-R101 IonicContact OE1-NE 3.52Å; E97-R101 IonicContact OE1-NH2 2.64Å; E97-R101 PolarHBondContact OE1-NH2 3.38Å |
| 98 | K | 96.8 | Very high | 96.5 | Very high | 160 Ų | 160 | 59 Ų | 59 | 70% | 0.696 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -54.7 | -48.6 | 172.9 | -177.4 | -179.3 | 179 | -179.9 | 0 | 111.7 | C96 L102 | C96-K98 VanDerWaalsContact C-N 3.29Å; C96-K98 PolarHBondContact O-N 3.21Å; K98-L102 HydrophobicContact CG-CD1 4.41Å; K98-L102 WeakPolarHBondContact O-CG 3.39Å; K98-L102 PolarHBondContact O-N 3.44Å; K98-L102 VanDerWaalsContact O-N 3.15Å |
| 99 | Q | 97.2 | Very high | 96.6 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.6 | -37.4 | -178 | -70.3 | -66 | -3.3 | 0 | 0 | 112 | L61 C96 E97 L102 L103 | L61-Q99 HydrophobicContact CB-CG 4.38Å; L61-Q99 HydrophobicContact CD1-CB 4.23Å; C96-Q99 PolarHBondContact O-N 3.18Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 3.1Å; Q99-L102 PolarHBondContact O-N 2.91Å; Q99-L103 VanDerWaalsContact O-CB 3.28Å; Q99-L103 WeakPolarHBondContact O-CB 3.36Å; Q99-L103 PolarHBondContact O-N 3.45Å |
| 100 | Q | 97.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.6 | -172.1 | 74.6 | 19.3 | 0 | 0 | 111.2 | Y88 K90 T93 C96 E97 L102 L103 E104 | Y88-Q100 PolarHBondContact O-NE2 3.1Å; K90-Q100 HydrophobicContact CB-CG 4.42Å; T93-Q100 PolarHBondContact OG1-OE1 3.01Å; T93-Q100 VanDerWaalsContact OG1-OE1 3.04Å; C96-Q100 PolarHBondContact O-N 3.25Å; E97-Q100 PolarHBondContact O-N 3.29Å; Q100-L102 PolarHBondContact O-N 3.4Å; Q100-L103 WeakPolarHBondContact O-CB 3.42Å; Q100-L103 PolarHBondContact O-N 3.2Å; Q100-E104 WeakPolarHBondContact O-CG 3.42Å; Q100-E104 PolarHBondContact O-N 3.26Å |
| 101 | R | 97.8 | Very high | 96.9 | Very high | 142 Ų | 142 | 55.4 Ų | 55.4 | 54% | 0.536 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 177.1 | -67.7 | 176.2 | -175.7 | -174.6 | 1.3 | 112.7 | E97 K105 | E97-R101 WeakPolarHBondContact O-CG 3.45Å; E97-R101 PolarHBondContact O-N 2.81Å; E97-R101 IonicContact OE1-CZ 3.38Å; E97-R101 IonicContact OE1-NE 3.52Å; E97-R101 IonicContact OE1-NH2 2.64Å; E97-R101 PolarHBondContact OE1-NH2 3.38Å; R101-K105 WeakPolarHBondContact O-CG 3.17Å; R101-K105 PolarHBondContact O-N 2.96Å; R101-K105 VanDerWaalsContact O-N 3.17Å |
| 102 | L | 97.7 | Very high | 97 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 175.6 | -71.7 | 173 | 0 | 0 | 0 | 111.3 | F67 P68 K98 Q99 Q100 K105 A106 | F67-L102 HydrophobicContact CE2-CD1 4.09Å; P68-L102 HydrophobicContact CG-CB 3.86Å; K98-L102 HydrophobicContact CG-CD1 4.41Å; K98-L102 WeakPolarHBondContact O-CG 3.39Å; K98-L102 PolarHBondContact O-N 3.44Å; K98-L102 VanDerWaalsContact O-N 3.15Å; Q99-L102 PolarHBondContact O-N 2.91Å; Q100-L102 PolarHBondContact O-N 3.4Å; L102-K105 PolarHBondContact O-N 2.83Å; L102-A106 WeakPolarHBondContact O-CB 3.34Å; L102-A106 PolarHBondContact O-N 3.36Å |
| 103 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.4 | -176.7 | 70 | 0 | 0 | 0 | 111.7 | P68 L76 F79 L87 L95 Q99 Q100 K105 A106 I107 | P68-L103 HydrophobicContact CB-CD1 4.12Å; L76-L103 HydrophobicContact CD2-CD1 3.55Å; F79-L103 HydrophobicContact CB-CD2 3.73Å; F79-L103 HydrophobicContact CD1-CD2 3.84Å; F79-L103 HydrophobicContact CD2-CD1 3.69Å; F79-L103 HydrophobicContact CD2-CD2 3.85Å; F79-L103 HydrophobicContact CD2-CG 4.42Å; F79-L103 HydrophobicContact CE1-CD2 4.44Å; F79-L103 HydrophobicContact CE2-CD1 4.14Å; F79-L103 HydrophobicContact CE2-CD2 4.43Å; F79-L103 HydrophobicContact CG-CD1 4.22Å; F79-L103 HydrophobicContact CG-CD2 3.52Å; F79-L103 HydrophobicContact CG-CG 4.48Å; L87-L103 HydrophobicContact CD1-CD2 3.88Å; L87-L103 HydrophobicContact CD1-CG 4.41Å; L95-L103 HydrophobicContact CD1-CD2 3.76Å; Q99-L103 VanDerWaalsContact O-CB 3.28Å; Q99-L103 WeakPolarHBondContact O-CB 3.36Å; Q99-L103 PolarHBondContact O-N 3.45Å; Q100-L103 WeakPolarHBondContact O-CB 3.42Å; Q100-L103 PolarHBondContact O-N 3.2Å; L103-K105 PolarHBondContact O-N 2.88Å; L103-A106 PolarHBondContact O-N 3.2Å; L103-I107 HydrophobicContact CD1-CD1 4.17Å; L103-I107 HydrophobicContact CG-CD1 3.91Å; L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 3.19Å |
| 104 | E | 97.9 | Very high | 97.1 | Very high | 94 Ų | 94 | 67.5 Ų | 67.5 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.6 | -78.4 | 169.5 | -162.5 | 0 | 0 | 112.4 | L87 Q100 R108 | L87-E104 HydrophobicContact CD2-CB 4.34Å; L87-E104 HydrophobicContact CD2-CG 3.36Å; Q100-E104 WeakPolarHBondContact O-CG 3.42Å; Q100-E104 PolarHBondContact O-N 3.26Å; E104-R108 WeakPolarHBondContact O-CB 3.15Å; E104-R108 PolarHBondContact O-N 3.33Å |
| 105 | K | 98.1 | Very high | 97.2 | Very high | 137 Ų | 137 | 70.9 Ų | 70.9 | 60% | 0.596 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.1 | -47.3 | 176.1 | -72.4 | 177.1 | -178.4 | -173.9 | 0 | 111.4 | R101 L102 L103 I107 R108 I109 | R101-K105 WeakPolarHBondContact O-CG 3.17Å; R101-K105 PolarHBondContact O-N 2.96Å; R101-K105 VanDerWaalsContact O-N 3.17Å; L102-K105 PolarHBondContact O-N 2.83Å; L103-K105 PolarHBondContact O-N 2.88Å; K105-I107 PolarHBondContact O-N 3.04Å; K105-R108 PolarHBondContact O-N 3.38Å; K105-I109 VanDerWaalsContact O-CG1 3.29Å; K105-I109 WeakPolarHBondContact O-CG1 3.33Å; K105-I109 PolarHBondContact O-N 3.16Å |
| 106 | A | 98.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 71.2 Ų | 71.2 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P68 Y70 L76 L102 L103 I109 S110 | P68-A106 VanDerWaalsContact O-CB 3.26Å; P68-A106 WeakPolarHBondContact O-CB 3.44Å; Y70-A106 WeakPolarHBondContact CB-O 3.26Å; L76-A106 HydrophobicContact CD1-CB 4.39Å; L76-A106 HydrophobicContact CD2-CB 3.99Å; L102-A106 WeakPolarHBondContact O-CB 3.34Å; L102-A106 PolarHBondContact O-N 3.36Å; L103-A106 PolarHBondContact O-N 3.2Å; A106-I109 PolarHBondContact O-N 2.66Å; A106-S110 VanDerWaalsContact O-CB 3.23Å; A106-S110 WeakPolarHBondContact O-CB 3.19Å; A106-S110 PolarHBondContact O-N 3.27Å |
| 107 | I | 98.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176 | -73.7 | 166.9 | 0 | 0 | 0 | 111.4 | L76 L80 L87 L103 K105 I109 S110 R111 M116 | L76-I107 HydrophobicContact CB-CG1 4.07Å; L76-I107 HydrophobicContact CD1-CG1 4.27Å; L76-I107 HydrophobicContact CD2-CG1 4.12Å; L76-I107 HydrophobicContact CG-CG1 4.38Å; L80-I107 HydrophobicContact CD2-CD1 3.95Å; L87-I107 HydrophobicContact CD1-CD1 3.61Å; L87-I107 HydrophobicContact CD2-CD1 3.97Å; L87-I107 HydrophobicContact CG-CD1 4.24Å; L103-I107 HydrophobicContact CD1-CD1 4.17Å; L103-I107 HydrophobicContact CG-CD1 3.91Å; L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 3.19Å; K105-I107 PolarHBondContact O-N 3.04Å; I107-I109 VanDerWaalsContact C-N 3.32Å; I107-I109 PolarHBondContact O-N 3.34Å; I107-S110 PolarHBondContact O-N 3.04Å; I107-R111 WeakPolarHBondContact O-CB 3.41Å; I107-R111 WeakPolarHBondContact O-CG 3.21Å; I107-R111 PolarHBondContact O-N 3.46Å; I107-M116 HydrophobicContact CB-CE 4.24Å; I107-M116 HydrophobicContact CG1-CE 4.13Å; I107-M116 HydrophobicContact CG2-CE 3.74Å |
| 108 | R | 97.7 | Very high | 97.2 | Very high | 181 Ų | 181 | 70.4 Ų | 70.4 | 68% | 0.683 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 177.7 | -179.7 | 178.4 | -102.7 | 173.6 | -4.1 | 111.4 | E104 K105 K112 | E104-R108 WeakPolarHBondContact O-CB 3.15Å; E104-R108 PolarHBondContact O-N 3.33Å; K105-R108 PolarHBondContact O-N 3.38Å; R108-K112 WeakPolarHBondContact O-CG 3.4Å; R108-K112 PolarHBondContact O-N 3.01Å |
| 109 | I | 98.2 | Very high | 97 | Very high | 84 Ų | 84 | 69.7 Ų | 69.7 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69 | -46.3 | 177.4 | -65.3 | 165.5 | 0 | 0 | 0 | 110.7 | Y70 K105 A106 I107 R111 K112 A113 | Y70-I109 HydrophobicContact CD1-CG2 4.24Å; Y70-I109 HydrophobicContact CD2-CG2 3.65Å; Y70-I109 HydrophobicContact CE2-CG2 4.23Å; Y70-I109 HydrophobicContact CG-CB 4.33Å; Y70-I109 HydrophobicContact CG-CG2 3.65Å; K105-I109 VanDerWaalsContact O-CG1 3.29Å; K105-I109 WeakPolarHBondContact O-CG1 3.33Å; K105-I109 PolarHBondContact O-N 3.16Å; A106-I109 PolarHBondContact O-N 2.66Å; I107-I109 VanDerWaalsContact C-N 3.32Å; I107-I109 PolarHBondContact O-N 3.34Å; I109-R111 VanDerWaalsContact C-N 3.32Å; I109-R111 PolarHBondContact O-N 3.17Å; I109-K112 PolarHBondContact O-N 3.04Å; I109-K112 VanDerWaalsContact O-N 3.16Å; I109-A113 WeakPolarHBondContact O-CB 3.36Å; I109-A113 PolarHBondContact O-N 3.46Å |
| 110 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 179.9 | -168.2 | 0 | 0 | 0 | 0 | 112.1 | Y70 A106 I107 A113 G114 L115 | Y70-S110 WeakPolarHBondContact O-CB 3.42Å; Y70-S110 PolarHBondContact O-OG 3.19Å; A106-S110 VanDerWaalsContact O-CB 3.23Å; A106-S110 WeakPolarHBondContact O-CB 3.19Å; A106-S110 PolarHBondContact O-N 3.27Å; I107-S110 PolarHBondContact O-N 3.04Å; S110-A113 PolarHBondContact O-N 2.89Å; S110-G114 PolarHBondContact O-N 3.44Å; S110-L115 PolarHBondContact O-N 3.07Å |
| 111 | R | 97.1 | Very high | 96.7 | Very high | 64 Ų | 64 | 72.2 Ų | 72.2 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 174.7 | -76 | 175.8 | 166.6 | 170.4 | 0.1 | 113 | G85 I107 I109 A113 G114 M116 V118 | G85-R111 PolarHBondContact O-NH2 3.25Å; I107-R111 WeakPolarHBondContact O-CB 3.41Å; I107-R111 WeakPolarHBondContact O-CG 3.21Å; I107-R111 PolarHBondContact O-N 3.46Å; I109-R111 VanDerWaalsContact C-N 3.32Å; I109-R111 PolarHBondContact O-N 3.17Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 3.37Å; R111-G114 PolarHBondContact O-N 3.49Å; R111-G114 VanDerWaalsContact O-N 3.16Å; R111-M116 HydrophobicContact CG-CE 3.9Å; R111-V118 HydrophobicContact CB-CG2 4.35Å; R111-V118 HydrophobicContact CG-CG2 4.16Å; R111-V118 PolarHBondContact NH2-O 2.92Å |
| 112 | K | 97.6 | Very high | 96.5 | Very high | 178 Ų | 178 | 67.2 Ų | 67.2 | 77% | 0.774 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.9 | -34.5 | 176.5 | -76.1 | -177.1 | 175.9 | -165.1 | 0 | 112.3 | R108 I109 G114 | R108-K112 WeakPolarHBondContact O-CG 3.4Å; R108-K112 PolarHBondContact O-N 3.01Å; I109-K112 PolarHBondContact O-N 3.04Å; I109-K112 VanDerWaalsContact O-N 3.16Å; K112-G114 PolarHBondContact O-N 3.37Å |
| 113 | A | 97.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 70.3 Ų | 70.3 | 50% | 0.504 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -4.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I109 S110 R111 L115 | I109-A113 WeakPolarHBondContact O-CB 3.36Å; I109-A113 PolarHBondContact O-N 3.46Å; S110-A113 PolarHBondContact O-N 2.89Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 3.37Å; A113-L115 VanDerWaalsContact C-N 3.27Å; A113-L115 HydrophobicContact CB-CD1 4.27Å; A113-L115 HydrophobicContact CB-CG 4.09Å; A113-L115 PolarHBondContact O-N 3.16Å |
| 114 | G | 96.3 | Very high | 96.3 | Very high | 67 Ų | 67 | 80.1 Ų | 80.1 | 69% | 0.691 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 14.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S110 R111 K112 | S110-G114 PolarHBondContact O-N 3.44Å; R111-G114 PolarHBondContact O-N 3.49Å; R111-G114 VanDerWaalsContact O-N 3.16Å; K112-G114 PolarHBondContact O-N 3.37Å |
| 115 | L | 96.2 | Very high | 96.2 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 40% | 0.403 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -81.7 | -17.7 | -179 | -64.8 | 177.5 | 0 | 0 | 0 | 113.5 | Y70 S110 A113 | Y70-L115 HydrophobicContact CD2-CD1 4.26Å; S110-L115 PolarHBondContact O-N 3.07Å; A113-L115 VanDerWaalsContact C-N 3.27Å; A113-L115 HydrophobicContact CB-CD1 4.27Å; A113-L115 HydrophobicContact CB-CG 4.09Å; A113-L115 PolarHBondContact O-N 3.16Å |
| 116 | M | 94.9 | Very high | 96 | Very high | 7 Ų | 7 | 76.4 Ų | 76.4 | 3% | 0.034 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -146.7 | 136.4 | -177.1 | -175.7 | -179.7 | 63 | 0 | 0 | 111.1 | A73 L76 L80 I107 R111 | A73-M116 HydrophobicContact CB-CB 4.49Å; L76-M116 HydrophobicContact CB-SD 4.07Å; L80-M116 HydrophobicContact CD1-CE 3.76Å; L80-M116 HydrophobicContact CD1-SD 3.51Å; L80-M116 VanDerWaalsContact CD1-SD 3.51Å; I107-M116 HydrophobicContact CB-CE 4.24Å; I107-M116 HydrophobicContact CG1-CE 4.13Å; I107-M116 HydrophobicContact CG2-CE 3.74Å; R111-M116 HydrophobicContact CG-CE 3.9Å |
| 117 | P | 95.5 | Very high | 95.8 | Very high | 44 Ų | 44 | 85.8 Ų | 85.8 | 29% | 0.286 | 44% | 0.439 | S | S | . | . | trans | -64.5 | 154.8 | 177.6 | 24.6 | -34.1 | 0 | 0 | 0 | 113.9 | S120 E122 | P117-S120 WeakPolarHBondContact CB-O 3.48Å; P117-S120 WeakPolarHBondContact CG-O 3.47Å; P117-E122 VanDerWaalsContact CD-CG 3.49Å; P117-E122 WeakPolarHBondContact CD-OE1 3.23Å; P117-E122 HydrophobicContact CG-CG 3.55Å | ||
| 118 | V | 95.5 | Very high | 95.6 | Very high | 84 Ų | 84 | 86.3 Ų | 86.3 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -91.3 | -46.1 | -178.3 | -177 | 0 | 0 | 0 | 0 | 112.1 | R111 | R111-V118 HydrophobicContact CB-CG2 4.35Å; R111-V118 HydrophobicContact CG-CG2 4.16Å; R111-V118 PolarHBondContact NH2-O 2.92Å |
| 119 | L | 93.9 | Very high | 95.5 | Very high | 144 Ų | 144 | 82.3 Ų | 82.3 | 75% | 0.754 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -86.2 | -31 | -167.8 | -61.3 | 176.8 | 0 | 0 | 0 | 113.6 | S84 G85 | S84-L119 CarbonylContact C-O 3.6Å; S84-L119 VanDerWaalsContact O-O 3.13Å; G85-L119 PolarHBondContact N-O 3.45Å |
| 120 | S | 92.7 | Very high | 95.1 | Very high | 62 Ų | 62 | 86.3 Ų | 86.3 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -140.5 | 159.4 | -175.9 | 59 | 0 | 0 | 0 | 0 | 110.6 | P117 | P117-S120 WeakPolarHBondContact CB-O 3.48Å; P117-S120 WeakPolarHBondContact CG-O 3.47Å |
| 121 | K | 94 | Very high | 94.9 | Very high | 30 Ų | 30 | 89.2 Ų | 89.2 | 13% | 0.13 | 46% | 0.464 | C | S | . | . | trans | -78 | 141.8 | 171.6 | -174.6 | 174.8 | 177.3 | 179.6 | 0 | 109.4 | S77 Y125 | S77-K121 WeakPolarHBondContact O-CD 3.03Å; S77-K121 WeakPolarHBondContact O-CE 3.11Å; S77-K121 PolarHBondContact O-NZ 3.2Å; K121-Y125 WeakPolarHBondContact CE-O 3.13Å; K121-Y125 PolarHBondContact NZ-O 3.24Å | ||
| 122 | E | 95 | Very high | 94.6 | Very high | 36 Ų | 36 | 87.1 Ų | 87.1 | 17% | 0.168 | 46% | 0.456 | C | S | . | . | trans | -58.6 | 134.2 | 176 | -69.5 | 179.8 | -140 | 0 | 0 | 111.2 | P117 R124 Y125 | P117-E122 VanDerWaalsContact CD-CG 3.49Å; P117-E122 WeakPolarHBondContact CD-OE1 3.23Å; P117-E122 HydrophobicContact CG-CG 3.55Å; E122-R124 PolarHBondContact O-N 3.42Å; E122-R124 VanDerWaalsContact O-N 3.09Å; E122-Y125 HydrophobicContact CB-CD2 3.77Å; E122-Y125 HydrophobicContact CB-CE2 4.12Å; E122-Y125 HydrophobicContact CG-CD2 4.37Å; E122-Y125 HydrophobicContact CG-CE2 4.35Å; E122-Y125 PolarHBondContact O-N 3.14Å; E122-Y125 WeakPolarHBondContact OE2-CE2 3.44Å | ||
| 123 | P | 94.4 | Very high | 94.4 | Very high | 113 Ų | 113 | 83.1 Ų | 83.1 | 73% | 0.734 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -56 | -30.5 | -179.9 | -27.4 | 34.6 | 0 | 0 | 0 | 113.6 | Y125 L126 | P123-Y125 VanDerWaalsContact C-N 3.25Å; P123-Y125 PolarHBondContact O-N 3.06Å; P123-L126 WeakPolarHBondContact O-CB 3.18Å; P123-L126 PolarHBondContact O-N 3.16Å |
| 124 | R | 95.1 | Very high | 94.1 | Very high | 206 Ų | 206 | 81.5 Ų | 81.5 | 78% | 0.777 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -59.9 | -34.3 | 178 | -62.5 | 176.2 | -176.5 | 173.6 | 0 | 112.6 | E122 | E122-R124 PolarHBondContact O-N 3.42Å; E122-R124 VanDerWaalsContact O-N 3.09Å |
| 125 | Y | 95.7 | Very high | 93.8 | Very high | 47 Ų | 47 | 86.9 Ų | 86.9 | 18% | 0.184 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -97.6 | 3.5 | -176.3 | -52.8 | -42 | 0 | 0 | 0 | 113.1 | A73 R74 S77 K121 E122 P123 K127 D128 | A73-Y125 HydrophobicContact CB-CE2 4.21Å; R74-Y125 HydrophobicContact CB-CD1 4.03Å; R74-Y125 HydrophobicContact CB-CE1 3.64Å; R74-Y125 HydrophobicContact CG-CD1 3.7Å; R74-Y125 HydrophobicContact CG-CE1 3.74Å; R74-Y125 HydrophobicContact CG-CG 4.43Å; S77-Y125 WeakPolarHBondContact OG-CD2 3.41Å; K121-Y125 WeakPolarHBondContact CE-O 3.13Å; K121-Y125 PolarHBondContact NZ-O 3.24Å; E122-Y125 HydrophobicContact CB-CD2 3.77Å; E122-Y125 HydrophobicContact CB-CE2 4.12Å; E122-Y125 HydrophobicContact CG-CD2 4.37Å; E122-Y125 HydrophobicContact CG-CE2 4.35Å; E122-Y125 PolarHBondContact O-N 3.14Å; E122-Y125 WeakPolarHBondContact OE2-CE2 3.44Å; P123-Y125 VanDerWaalsContact C-N 3.25Å; P123-Y125 PolarHBondContact O-N 3.06Å; Y125-K127 VanDerWaalsContact C-N 3.28Å; Y125-K127 PolarHBondContact O-N 3.41Å; Y125-D128 PolarHBondContact O-N 3.34Å |
| 126 | L | 93.7 | Very high | 93.6 | Very high | 106 Ų | 106 | 87.9 Ų | 87.9 | 56% | 0.555 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.5 | -178.5 | -173.6 | 61.1 | 0 | 0 | 0 | 112.3 | P123 D128 | P123-L126 WeakPolarHBondContact O-CB 3.18Å; P123-L126 PolarHBondContact O-N 3.16Å; L126-D128 VanDerWaalsContact C-N 3.34Å |
| 127 | K | 94 | Very high | 93.4 | Very high | 203 Ų | 203 | 90.3 Ų | 90.3 | 88% | 0.883 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.6 | -179 | -61.4 | -179.8 | 175.7 | 178.7 | 0 | 114 | Y125 | Y125-K127 VanDerWaalsContact C-N 3.28Å; Y125-K127 PolarHBondContact O-N 3.41Å |
| 128 | D | 95.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 94.7 Ų | 94.7 | 10% | 0.102 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -66.4 | 145.9 | 177.3 | -76.8 | -28.4 | 0 | 0 | 0 | 110.9 | R74 Y125 L126 R130 | R74-D128 WeakPolarHBondContact CG-OD2 3.46Å; R74-D128 IonicContact CZ-OD1 3.44Å; R74-D128 IonicContact NE-OD1 3.18Å; R74-D128 PolarHBondContact NE-OD1 3.01Å; R74-D128 IonicContact NE-OD2 3.41Å; R74-D128 PolarHBondContact NE-OD2 2.94Å; R74-D128 IonicContact NH2-OD1 2.8Å; R74-D128 PolarHBondContact NH2-OD1 3.38Å; Y125-D128 PolarHBondContact O-N 3.34Å; L126-D128 VanDerWaalsContact C-N 3.34Å; D128-R130 PolarHBondContact O-N 3.43Å |
| 129 | P | 94.6 | Very high | 92.6 | Very high | 96 Ų | 96 | 95.1 Ų | 95.1 | 62% | 0.623 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 137.7 | 177.2 | 26 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 130 | R | 91.2 | Very high | 92.5 | Very high | 168 Ų | 168 | 94 Ų | 94 | 63% | 0.634 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 131.3 | 177.3 | -62.7 | -176.1 | -176.8 | -131.3 | 0.8 | 109.5 | D128 | D128-R130 PolarHBondContact O-N 3.43Š|
| 131 | L | 92 | Very high | 92.3 | Very high | 61 Ų | 61 | 94.9 Ų | 94.9 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -78.9 | -25.3 | 176.8 | -64.4 | -177.7 | 0 | 0 | 0 | 112.8 | I60 Q78 F79 | I60-L131 HydrophobicContact CD1-CB 4.24Å; Q78-L131 HydrophobicContact CB-CD1 4.28Å; F79-L131 HydrophobicContact CE1-CD1 4.08Å; F79-L131 HydrophobicContact CE2-CD1 4.3Å; F79-L131 HydrophobicContact CZ-CD1 3.75Å |
| 132 | F | 91.9 | Very high | 91.9 | Very high | 20 Ų | 20 | 97.9 Ų | 97.9 | 9% | 0.088 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -157.5 | 159.6 | -179.2 | 52.2 | -93.5 | 0 | 0 | 0 | 109.2 | F79 Y88 I92 T93 P134 | F79-F132 AromaticContact CD1-CE1 3.69Å; F79-F132 HydrophobicContact CD1-CE1 3.69Å; F79-F132 HydrophobicContact CD1-CZ 4.17Å; F79-F132 AromaticContact CE1-CE1 3.99Å; F79-F132 HydrophobicContact CE1-CE1 3.99Å; Y88-F132 AromaticContact CD2-CE2 3.47Å; Y88-F132 HydrophobicContact CD2-CE2 3.47Å; Y88-F132 VanDerWaalsContact CD2-CE2 3.47Å; Y88-F132 AromaticContact CD2-CZ 3.61Å; Y88-F132 HydrophobicContact CD2-CZ 3.61Å; Y88-F132 HydrophobicContact CE2-CE2 4.02Å; Y88-F132 HydrophobicContact CE2-CZ 4.35Å; Y88-F132 AromaticContact CG-CE2 3.86Å; Y88-F132 HydrophobicContact CG-CE2 3.86Å; Y88-F132 HydrophobicContact CG-CZ 4.19Å; I92-F132 HydrophobicContact CG2-CD2 3.69Å; I92-F132 HydrophobicContact CG2-CE2 3.7Å; T93-F132 HydrophobicContact CG2-CE1 3.99Å; T93-F132 HydrophobicContact CG2-CE2 4.27Å; T93-F132 HydrophobicContact CG2-CZ 3.67Å; F132-P134 WeakPolarHBondContact O-CD 3.44Å |
| 133 | D | 92.6 | Very high | 91.5 | Very high | 94 Ų | 94 | 107.5 Ų | 107.5 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | trans | -99.4 | 115.7 | 178.5 | -71.1 | -36.2 | 0 | 0 | 0 | 110.5 | M135 T136 | D133-M135 PolarHBondContact O-N 3.4Å; D133-T136 VanDerWaalsContact CB-OG1 3.29Å; D133-T136 WeakPolarHBondContact CB-OG1 3.41Å; D133-T136 CarbonylContact O-C 3.06Å; D133-T136 PolarHBondContact O-N 3.25Å | ||
| 134 | P | 91.9 | Very high | 91.3 | Very high | 28 Ų | 28 | 107.3 Ų | 107.3 | 18% | 0.182 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.9 | -177.7 | -24.9 | 34.4 | 0 | 0 | 0 | 115.1 | Y88 I92 F132 | Y88-P134 HydrophobicContact CD1-CB 4.34Å; Y88-P134 HydrophobicContact CD1-CG 4.49Å; Y88-P134 HydrophobicContact CE1-CB 3.66Å; Y88-P134 HydrophobicContact CE1-CG 3.7Å; Y88-P134 HydrophobicContact CE2-CG 3.98Å; Y88-P134 VanDerWaalsContact OH-CG 3.28Å; Y88-P134 WeakPolarHBondContact OH-CG 3.35Å; I92-P134 HydrophobicContact CG2-CB 4.2Å; F132-P134 WeakPolarHBondContact O-CD 3.44Å |
| 135 | M | 90.8 | Very high | 91.1 | Very high | 180 Ų | 180 | 102.1 Ų | 102.1 | 89% | 0.887 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.3 | -178.6 | -59.5 | -56.1 | -173.2 | 0 | 0 | 112.9 | D133 | D133-M135 PolarHBondContact O-N 3.4Š|
| 136 | T | 92.1 | Very high | 90.9 | Very high | 97 Ų | 97 | 105.1 Ų | 105.1 | 60% | 0.595 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -128.8 | 72 | -177.6 | 47.3 | 0 | 0 | 0 | 0 | 109.7 | D133 Q138 | D133-T136 VanDerWaalsContact CB-OG1 3.29Å; D133-T136 WeakPolarHBondContact CB-OG1 3.41Å; D133-T136 CarbonylContact O-C 3.06Å; D133-T136 PolarHBondContact O-N 3.25Å; T136-Q138 PolarHBondContact O-N 3.47Å |
| 137 | P | 89.6 | Confident | 90.7 | Very high | 59 Ų | 59 | 105.1 Ų | 105.1 | 38% | 0.383 | 53% | 0.526 | S | S | . | . | trans | -63.2 | 137.3 | -176 | 27.1 | -34.5 | 0 | 0 | 0 | 111.4 | I92 R139 | I92-P137 HydrophobicContact CG1-CB 4.45Å; P137-R139 VanDerWaalsContact C-N 3.26Å; P137-R139 PolarHBondContact O-N 2.7Å | ||
| 138 | Q | 85.8 | Confident | 90.5 | Very high | 135 Ų | 135 | 98.9 Ų | 98.9 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -70.5 | -22.3 | -178.5 | -66.4 | -178.7 | -11.7 | 0 | 0 | 113.4 | H91 T136 | H91-Q138 PolarHBondContact O-N 3.07Å; T136-Q138 PolarHBondContact O-N 3.47Å |
| 139 | R | 88.9 | Confident | 90.2 | Very high | 93 Ų | 93 | 104.3 Ų | 104.3 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -124.1 | 149 | -179.9 | -60.8 | -179.8 | -176.9 | 132.3 | 2.5 | 109.1 | K90 H91 G94 L95 P137 | K90-R139 PolarHBondContact O-NH1 3.33Å; H91-R139 HydrophobicContact CB-CB 4.22Å; H91-R139 PolarHBondContact O-N 3.41Å; G94-R139 VanDerWaalsContact C-NH1 3.32Å; G94-R139 PolarHBondContact O-NH1 2.8Å; G94-R139 PolarHBondContact O-NH2 3.32Å; L95-R139 PolarHBondContact O-NH1 3.18Å; P137-R139 VanDerWaalsContact C-N 3.26Å; P137-R139 PolarHBondContact O-N 2.7Å |
| 140 | P | 91.2 | Very high | 89.9 | Confident | 120 Ų | 120 | 104.9 Ų | 104.9 | 78% | 0.779 | 52% | 0.523 | S | S | * | . | trans | -58.9 | 148.4 | 174.3 | 26.2 | -34.3 | 0 | 0 | 0 | 110.8 | ||||
| 141 | N | 88.9 | Confident | 89.8 | Confident | 81 Ų | 81 | 100 Ų | 100 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | trans | -63.3 | 133.5 | 172.3 | -172 | 30.2 | 0 | 0 | 0 | 109 | H91 Y143 | H91-N141 PolarHBondContact CE1-OD1 3.27Å; N141-Y143 PolarHBondContact ND2-OXT 3Å; N141-Y143 PolarHBondContact O-N 3.09Å | ||
| 142 | P | 85.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | trans | -69.8 | -6.2 | 177.4 | 26.3 | -37.3 | 0 | 0 | 0 | 115.3 | ||||
| 143 | Y | 85.9 | Confident | 89.4 | Confident | 238 Ų | 238 | 110.8 Ų | 110.8 | 93% | 0.933 | 57% | 0.572 | S | S | * | * | trans | -120.6 | 0 | 177.1 | -49.7 | -77.8 | 0 | 0 | 0 | 109.6 | N141 | N141-Y143 PolarHBondContact ND2-OXT 3Å; N141-Y143 PolarHBondContact O-N 3.09Å |
Retrieved 143 of 143 residues in 106.4 ms
(Link to these results)