| 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 | 46.8 | Very low | 45.8 | Very low | 237 Ų | 237 | 175.1 Ų | 175.1 | 100% | 1.167 | 84% | 0.841 | S | S | * | * | 0 | 98.6 | 0 | -154.9 | 174.1 | -72.5 | 0 | 0 | 103.1 | |||||
| 2 | E | 46.9 | Very low | 45.1 | Very low | 177 Ų | 177 | 173.8 Ų | 173.8 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | -146 | 137.1 | 65.5 | -62.2 | -175 | 130.3 | 0 | 0 | 111.6 | |||||
| 3 | L | 49.2 | Very low | 44.6 | Very low | 179 Ų | 179 | 172.9 Ų | 172.9 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | trans | -94.8 | 119.1 | 167.9 | -75.6 | 161.3 | 0 | 0 | 0 | 106.5 | ||||
| 4 | Y | 45.4 | Very low | 44.3 | Very low | 203 Ų | 203 | 167.9 Ų | 167.9 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -106.3 | 99.9 | 166.2 | 48.6 | -90.5 | 0 | 0 | 0 | 107.5 | ||||
| 5 | E | 50 | Low | 44 | Very low | 186 Ų | 186 | 170.9 Ų | 170.9 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | 67.9 | 83.6 | 101.9 | -100.8 | 174.1 | 172.8 | 0 | 0 | 113.2 | |||||
| 6 | T | 49 | Very low | 43.3 | Very low | 144 Ų | 144 | 173.1 Ų | 173.1 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -92.1 | 112.7 | 152.9 | 34.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | S | 40.4 | Very low | 43.3 | Very low | 94 Ų | 94 | 174.7 Ų | 174.7 | 66% | 0.657 | 82% | 0.818 | S | S | * | * | trans | -62.1 | 138.6 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | Y9 | S7-Y9 PolarHBondContact O-N 3.48Å; S7-Y9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | P | 49.8 | Very low | 43.1 | Very low | 104 Ų | 104 | 173.5 Ų | 173.5 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | trans | -82.3 | 96.7 | -174 | 33.5 | -31.5 | 0 | 0 | 0 | 109.5 | F10 | P8-F10 PolarHBondContact O-N 3.48Š| ||
| 9 | Y | 43.6 | Very low | 43 | Very low | 219 Ų | 219 | 166.8 Ų | 166.8 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 99.7 | 165.4 | -90.8 | -84.3 | 0 | 0 | 0 | 109.6 | S7 Y11 | S7-Y9 PolarHBondContact O-N 3.48Å; S7-Y9 VanDerWaalsContact O-N 3.16Å; Y9-Y11 PolarHBondContact O-N 2.94Å | ||
| 10 | F | 47.4 | Very low | 42.7 | Very low | 157 Ų | 157 | 166.8 Ų | 166.8 | 69% | 0.689 | 80% | 0.799 | S | S | * | * | trans | -32.4 | 114.3 | 162.8 | -94.6 | -115.1 | 0 | 0 | 0 | 113.3 | P8 Q12 | P8-F10 PolarHBondContact O-N 3.48Å; F10-Q12 HydrophobicContact CD1-CG 4.18Å; F10-Q12 HydrophobicContact CE1-CG 4.36Å | ||
| 11 | Y | 35 | Very low | 42.9 | Very low | 226 Ų | 226 | 166 Ų | 166 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -124.3 | 102 | 139.5 | -104.4 | -92.5 | 0 | 0 | 0 | 107.2 | Y9 E13 | Y9-Y11 PolarHBondContact O-N 2.94Å; Y11-E13 PolarHBondContact O-N 3.19Å; Y11-E13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | Q | 37.8 | Very low | 42.5 | Very low | 159 Ų | 159 | 164.3 Ų | 164.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -72.3 | 96.8 | 164.5 | -81.5 | 178.1 | -3 | 0 | 0 | 107.4 | F10 | F10-Q12 HydrophobicContact CD1-CG 4.18Å; F10-Q12 HydrophobicContact CE1-CG 4.36Å | ||
| 13 | E | 38.6 | Very low | 42.5 | Very low | 163 Ų | 163 | 163.2 Ų | 163.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -58.2 | 129 | 163.4 | -160.4 | 83.8 | -142.1 | 0 | 0 | 108.1 | Y11 R15 | Y11-E13 PolarHBondContact O-N 3.19Å; Y11-E13 VanDerWaalsContact O-N 3.15Å; E13-R15 PolarHBondContact O-N 3.45Å | ||
| 14 | P | 40.5 | Very low | 42.2 | Very low | 103 Ų | 103 | 160.8 Ų | 160.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -58.3 | 113.6 | -179.9 | -22.3 | 32 | 0 | 0 | 0 | 110.3 | F16 | P14-F16 PolarHBondContact O-N 2.88Š| ||
| 15 | R | 39.9 | Very low | 42 | Very low | 213 Ų | 213 | 157.3 Ų | 157.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -59.5 | 104.2 | 163.5 | -67.3 | -169 | 179.8 | 148.1 | 0.7 | 107.5 | E13 Y17 | E13-R15 PolarHBondContact O-N 3.45Å; R15-Y17 HydrophobicContact CB-CD2 4.43Å; R15-Y17 PolarHBondContact O-N 2.87Å | ||
| 16 | F | 33.3 | Very low | 41.8 | Very low | 205 Ų | 205 | 155 Ų | 155 | 90% | 0.899 | 76% | 0.764 | S | S | * | * | trans | -61.3 | 93.5 | 156.1 | -97.2 | -96.2 | 0 | 0 | 0 | 106.6 | P14 D18 | P14-F16 PolarHBondContact O-N 2.88Å; F16-D18 PolarHBondContact O-N 3.42Å; F16-D18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | Y | 41.7 | Very low | 41.3 | Very low | 201 Ų | 201 | 156.7 Ų | 156.7 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -63.9 | 108.4 | 160.5 | -100.7 | -89 | 0 | 0 | 0 | 106.5 | R15 G19 | R15-Y17 HydrophobicContact CB-CD2 4.43Å; R15-Y17 PolarHBondContact O-N 2.87Å; Y17-G19 VanDerWaalsContact C-N 3.31Å; Y17-G19 PolarHBondContact O-N 3.33Å | ||
| 18 | D | 40.5 | Very low | 41.5 | Very low | 153 Ų | 153 | 159.4 Ų | 159.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -69.1 | 95.7 | 162.5 | -161.3 | 5.7 | 0 | 0 | 0 | 106.3 | F16 | F16-D18 PolarHBondContact O-N 3.42Å; F16-D18 VanDerWaalsContact O-N 3.15Å | ||
| 19 | G | 41.9 | Very low | 41 | Very low | 47 Ų | 47 | 157.9 Ų | 157.9 | 49% | 0.485 | 77% | 0.772 | S | S | . | * | trans | -115.9 | 39 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y17 N21 | Y17-G19 VanDerWaalsContact C-N 3.31Å; Y17-G19 PolarHBondContact O-N 3.33Å; G19-N21 PolarHBondContact O-N 2.87Å | ||
| 20 | E | 35.8 | Very low | 40.4 | Very low | 165 Ų | 165 | 156.8 Ų | 156.8 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -92.8 | 73.2 | 175.5 | -65.3 | -62.8 | 141.2 | 0 | 0 | 110.1 | ||||
| 21 | N | 48 | Very low | 40.2 | Very low | 151 Ų | 151 | 157 Ų | 157 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -124.4 | 66.3 | 161.3 | -114.5 | -20.3 | 0 | 0 | 0 | 107.8 | G19 | G19-N21 PolarHBondContact O-N 2.87Š| ||
| 22 | Y | 38.6 | Very low | 40.7 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -133 | 89.4 | 163.9 | -74.8 | -82.2 | 0 | 0 | 0 | 108.5 | P24 | Y22-P24 WeakPolarHBondContact O-CD 3.46Š| ||
| 23 | L | 45.3 | Very low | 41 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -59.9 | 129.3 | 158.1 | -65.8 | 173.9 | 0 | 0 | 0 | 108.4 | V25 | L23-V25 PolarHBondContact O-N 3.25Å; L23-V25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | P | 43 | Very low | 41 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -72.4 | 108.1 | 163.1 | -14.2 | 30 | 0 | 0 | 0 | 108.7 | Y22 H26 | Y22-P24 WeakPolarHBondContact O-CD 3.46Å; P24-H26 PolarHBondContact O-N 3.41Å | ||
| 25 | V | 41.1 | Very low | 40.8 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | -53 | 122.5 | 161.5 | 170.1 | 0 | 0 | 0 | 0 | 109 | L23 | L23-V25 PolarHBondContact O-N 3.25Å; L23-V25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | H | 46.2 | Very low | 40.9 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | 20.4 | 104.2 | 143.3 | -169.3 | 82.4 | 0 | 0 | 0 | 117 | P24 Q28 | P24-H26 PolarHBondContact O-N 3.41Å; H26-Q28 PolarHBondContact CE1-OE1 3.48Å; H26-Q28 VanDerWaalsContact CE1-OE1 3.3Å; H26-Q28 PolarHBondContact NE2-OE1 2.9Å | ||
| 27 | L | 38.7 | Very low | 41 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | trans | -125.4 | 103.7 | 151.7 | -94.5 | 165.4 | 0 | 0 | 0 | 109.6 | ||||
| 28 | Q | 43.8 | Very low | 40.8 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | trans | -71.3 | 131.7 | 169.6 | 179.1 | 146 | -6.8 | 0 | 0 | 110.7 | H26 | H26-Q28 PolarHBondContact CE1-OE1 3.48Å; H26-Q28 VanDerWaalsContact CE1-OE1 3.3Å; H26-Q28 PolarHBondContact NE2-OE1 2.9Å | ||
| 29 | G | 40.3 | Very low | 40.6 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 87.4 | 98.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 30 | F | 30 | Very low | 40.8 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -164.5 | 115.1 | 138.2 | -158.7 | -106.1 | 0 | 0 | 0 | 109.8 | P32 | F30-P32 HydrophobicContact CE1-CB 4.41Š| ||
| 31 | E | 44.6 | Very low | 40.8 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -107 | 124.9 | 172.6 | -157.1 | -100.8 | 134 | 0 | 0 | 107.7 | ||||
| 32 | P | 44.4 | Very low | 40.1 | Very low | 88 Ų | 88 | 149 Ų | 149 | 57% | 0.571 | 78% | 0.779 | S | S | * | * | trans | -107.8 | 147.3 | 166.9 | 35.5 | -25.5 | 0 | 0 | 0 | 111.7 | F30 | F30-P32 HydrophobicContact CE1-CB 4.41Š| ||
| 33 | P | 43.9 | Very low | 40.2 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 151 | -152.3 | 34.9 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 34 | G | 38.7 | Very low | 40.3 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 38.1 | 102 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 35 | Y | 37.6 | Very low | 39.8 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -136.5 | 117.2 | 130.7 | 67.3 | -84.7 | 0 | 0 | 0 | 109.2 | ||||
| 36 | E | 41.9 | Very low | 39.4 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -67 | 134.7 | 171 | -66.6 | -165.6 | 131.9 | 0 | 0 | 109.7 | ||||
| 37 | R | 34.8 | Very low | 39.2 | Very low | 225 Ų | 225 | 144.3 Ų | 144.3 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | trans | -134.9 | 97.8 | 155.3 | -161.2 | 175.3 | -165.8 | 148.6 | 4.2 | 109.8 | E39 | R37-E39 PolarHBondContact O-N 3.5Š| ||
| 38 | T | 38.2 | Very low | 38.8 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 59% | 0.589 | 77% | 0.774 | S | S | * | * | trans | -45 | 120 | 167 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | L40 | T38-L40 HydrophobicContact CG2-CD1 4.12Å; T38-L40 HydrophobicContact CG2-CG 3.82Å | ||
| 39 | E | 35 | Very low | 38.9 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -131.1 | 99.9 | 147.7 | -76.5 | -70.7 | 154.5 | 0 | 0 | 106 | R37 T41 | R37-E39 PolarHBondContact O-N 3.5Å; E39-T41 PolarHBondContact O-N 3.27Å | ||
| 40 | L | 46.7 | Very low | 39 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 121.7 | 171.7 | -68.5 | 161.3 | 0 | 0 | 0 | 107.9 | T38 | T38-L40 HydrophobicContact CG2-CD1 4.12Å; T38-L40 HydrophobicContact CG2-CG 3.82Å | ||
| 41 | T | 35.1 | Very low | 39.8 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -144.8 | 118.3 | 148.8 | -3.6 | 0 | 0 | 0 | 0 | 109.5 | E39 | E39-T41 PolarHBondContact O-N 3.27Š| ||
| 42 | L | 34.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -69 | 130.7 | -170.9 | -66.5 | 144.5 | 0 | 0 | 0 | 110.5 | ||||
| 43 | S | 40.9 | Very low | 39.7 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -80.8 | 154.8 | 153.8 | -150.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 44 | P | 46.3 | Very low | 39.5 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | -143.5 | 133 | 99.8 | 31.3 | -13.1 | 0 | 0 | 0 | 115.4 | |||||
| 45 | E | 32.2 | Very low | 39.8 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | 58.5 | 105.6 | 124.9 | -50.2 | -111.8 | 109.5 | 0 | 0 | 119 | |||||
| 46 | T | 33 | Very low | 40.1 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -129.7 | 121.1 | 143.2 | -7.4 | 0 | 0 | 0 | 0 | 108.5 | G48 | T46-G48 PolarHBondContact O-N 2.98Š| ||
| 47 | P | 42.2 | Very low | 40.5 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -79.4 | 109 | 176.6 | -5.1 | 21.7 | 0 | 0 | 0 | 109.9 | ||||
| 48 | G | 30.6 | Very low | 41.3 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -111.1 | 109.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | T46 L50 | T46-G48 PolarHBondContact O-N 2.98Å; G48-L50 PolarHBondContact O-N 3.18Å | ||
| 49 | P | 45.1 | Very low | 42.3 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -89.3 | 102.7 | 174.3 | 31.5 | -25.6 | 0 | 0 | 0 | 109.3 | ||||
| 50 | L | 43.9 | Very low | 43.7 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -158.6 | 109.8 | 143.6 | -160.4 | 65.4 | 0 | 0 | 0 | 109.4 | G48 D52 | G48-L50 PolarHBondContact O-N 3.18Å; L50-D52 PolarHBondContact O-N 2.84Å; L50-D52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | E | 45.9 | Very low | 44.6 | Very low | 175 Ų | 175 | 123.7 Ų | 123.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -51.7 | 110 | 160.9 | -50.9 | -166.2 | 108.3 | 0 | 0 | 109 | ||||
| 52 | D | 42.9 | Very low | 46.1 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | -106.4 | 101.6 | 154.8 | -165.8 | -121.1 | 0 | 0 | 0 | 107.4 | L50 G54 | L50-D52 PolarHBondContact O-N 2.84Å; L50-D52 VanDerWaalsContact O-N 3.11Å; D52-G54 PolarHBondContact O-N 3.26Å | ||
| 53 | K | 44.7 | Very low | 47.6 | Very low | 153 Ų | 153 | 116.7 Ų | 116.7 | 67% | 0.665 | 72% | 0.715 | S | S | * | * | trans | -44 | 130.5 | 178.3 | -61.8 | -167.7 | 168.7 | -167.9 | 0 | 108.6 | L55 | K53-L55 PolarHBondContact O-N 3.46Š| ||
| 54 | G | 40 | Very low | 49.4 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | trans | -54.8 | 86.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | D52 G56 | D52-G54 PolarHBondContact O-N 3.26Å; G54-G56 PolarHBondContact O-N 2.89Å | ||
| 55 | L | 44.6 | Very low | 51.5 | Low | 136 Ų | 136 | 115.2 Ų | 115.2 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | trans | -63.5 | 86.9 | 168.6 | -87.8 | 153.6 | 0 | 0 | 0 | 104.6 | K53 T57 | K53-L55 PolarHBondContact O-N 3.46Å; L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 3.32Å | ||
| 56 | G | 44 | Very low | 54 | Low | 61 Ų | 61 | 111.8 Ų | 111.8 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | trans | -44.1 | 110.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | G54 P58 | G54-G56 PolarHBondContact O-N 2.89Å; G56-P58 VanDerWaalsContact O-N 3.07Å | ||
| 57 | T | 49.3 | Very low | 56.4 | Low | 105 Ų | 105 | 108.6 Ų | 108.6 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | trans | -47.1 | 124.5 | 171.7 | 43.4 | 0 | 0 | 0 | 0 | 105.5 | L55 E59 | L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 3.32Å; T57-E59 PolarHBondContact O-N 3.01Å | ||
| 58 | P | 52.7 | Low | 58.4 | Low | 113 Ų | 113 | 111.5 Ų | 111.5 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -51.1 | 124.2 | 175.6 | 21.8 | -31.5 | 0 | 0 | 0 | 105.4 | G56 H60 | G56-P58 VanDerWaalsContact O-N 3.07Å; P58-H60 PolarHBondContact O-N 3.42Å | ||
| 59 | E | 58 | Low | 61.2 | Low | 165 Ų | 165 | 111.3 Ų | 111.3 | 77% | 0.771 | 64% | 0.644 | S | S | * | * | trans | -55 | 83.6 | 179.6 | -72.8 | -92.3 | 121.2 | 0 | 0 | 107.4 | T57 C61 P62 | T57-E59 PolarHBondContact O-N 3.01Å; E59-C61 PolarHBondContact O-N 3Å; E59-P62 WeakPolarHBondContact O-CD 3.29Å | ||
| 60 | H | 65.4 | Low | 63.4 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 49% | 0.486 | 61% | 0.613 | S | S | . | * | trans | -82.4 | 110 | -172.7 | -179 | 70.5 | 0 | 0 | 0 | 106.5 | P58 C70 | P58-H60 PolarHBondContact O-N 3.42Å; H60-C70 PolarHBondContact NE2-SG 3.49Å; H60-C70 VanDerWaalsContact NE2-SG 3.44Å | ||
| 61 | C | 64.6 | Low | 65.5 | Low | 38 Ų | 38 | 106.7 Ų | 106.7 | 26% | 0.257 | 61% | 0.607 | S | S | . | * | trans | 65 | 85.8 | -170.9 | -53.5 | 0 | 0 | 0 | 0 | 113.9 | E59 G63 C65 | E59-C61 PolarHBondContact O-N 3Å; C61-G63 PolarHBondContact O-N 2.83Å; C61-C65 HydrophobicContact CB-CB 4.08Å; C61-C65 WeakPolarHBondContact CB-SG 3.39Å; C61-C65 WeakPolarHBondContact SG-CB 3.34Å; C61-C65 CovalentContact SG-SG 2.05Å; C61-C65 PolarHBondContact SG-SG 2.98Å | ||
| 62 | P | 67.4 | Low | 67.6 | Low | 86 Ų | 86 | 102.2 Ų | 102.2 | 56% | 0.558 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -68.2 | 66 | 156.1 | 29.8 | -33.8 | 0 | 0 | 0 | 110.1 | E59 Q64 | E59-P62 WeakPolarHBondContact O-CD 3.29Å; P62-Q64 PolarHBondContact O-NE2 3.34Å |
| 63 | G | 66.8 | Low | 69.8 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 76% | 0.763 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 86.4 | -1.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | C61 | C61-G63 PolarHBondContact O-N 2.83Š|
| 64 | Q | 78.8 | Confident | 71.9 | Confident | 150 Ų | 150 | 94.7 Ų | 94.7 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | trans | -83.4 | -8.6 | -176 | -61.7 | 97.2 | 5.3 | 0 | 0 | 115.7 | P62 | P62-Q64 PolarHBondContact O-NE2 3.34Š| ||
| 65 | C | 89.4 | Confident | 74.2 | Confident | 38 Ų | 38 | 99.2 Ų | 99.2 | 26% | 0.257 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -126.1 | 140 | -176.9 | 71 | 0 | 0 | 0 | 0 | 113.1 | C61 C70 C73 | C61-C65 HydrophobicContact CB-CB 4.08Å; C61-C65 WeakPolarHBondContact CB-SG 3.39Å; C61-C65 WeakPolarHBondContact SG-CB 3.34Å; C61-C65 CovalentContact SG-SG 2.05Å; C61-C65 PolarHBondContact SG-SG 2.98Å; C65-C70 HydrophobicContact CB-CB 3.88Å; C65-C70 WeakPolarHBondContact SG-CB 3.29Å; C65-C73 PolarHBondContact SG-SG 3.45Å |
| 66 | L | 85.1 | Confident | 76.2 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | trans | -70.9 | 127.4 | 177 | -64.4 | 174.3 | 0 | 0 | 0 | 109.6 | W68 A69 C70 | L66-W68 HydrophobicContact CB-CD2 4.43Å; L66-W68 HydrophobicContact CB-CZ2 4.37Å; L66-W68 HydrophobicContact CD1-CH2 4.31Å; L66-W68 HydrophobicContact CD1-CZ2 3.4Å; L66-W68 VanDerWaalsContact CD1-CZ2 3.4Å; L66-W68 HydrophobicContact CG-CZ2 4.49Å; L66-W68 PolarHBondContact O-N 3.29Å; L66-A69 HydrophobicContact CB-CB 4.11Å; L66-A69 PolarHBondContact O-N 2.93Å; L66-C70 PolarHBondContact O-N 3.29Å | ||
| 67 | P | 82.6 | Confident | 78.4 | Confident | 73 Ų | 73 | 98.5 Ų | 98.5 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.3 | -174.9 | -27.5 | 34.6 | 0 | 0 | 0 | 115.1 | K74 | P67-K74 WeakPolarHBondContact O-CA 3.31Å; P67-K74 VanDerWaalsContact O-CB 3.26Å; P67-K74 WeakPolarHBondContact O-CB 3.48Å; P67-K74 PolarHBondContact O-N 2.93Å; P67-K74 VanDerWaalsContact O-N 3.1Å |
| 68 | W | 84.6 | Confident | 80.4 | Confident | 186 Ų | 186 | 97.4 Ų | 97.4 | 71% | 0.705 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -23.2 | 177.7 | 58.5 | -99.2 | 0 | 0 | 0 | 113.3 | L66 | L66-W68 HydrophobicContact CB-CD2 4.43Å; L66-W68 HydrophobicContact CB-CZ2 4.37Å; L66-W68 HydrophobicContact CD1-CH2 4.31Å; L66-W68 HydrophobicContact CD1-CZ2 3.4Å; L66-W68 VanDerWaalsContact CD1-CZ2 3.4Å; L66-W68 HydrophobicContact CG-CZ2 4.49Å; L66-W68 PolarHBondContact O-N 3.29Å |
| 69 | A | 90.2 | Very high | 82.4 | Confident | 67 Ų | 67 | 95 Ų | 95 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -34.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L66 | L66-A69 HydrophobicContact CB-CB 4.11Å; L66-A69 PolarHBondContact O-N 2.93Å |
| 70 | C | 91.1 | Very high | 84.1 | Confident | 24 Ų | 24 | 89.5 Ų | 89.5 | 16% | 0.162 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -81.6 | 122.8 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | H60 C65 L66 V72 C73 K74 | H60-C70 PolarHBondContact NE2-SG 3.49Å; H60-C70 VanDerWaalsContact NE2-SG 3.44Å; C65-C70 HydrophobicContact CB-CB 3.88Å; C65-C70 WeakPolarHBondContact SG-CB 3.29Å; L66-C70 PolarHBondContact O-N 3.29Å; C70-V72 VanDerWaalsContact C-N 3.29Å; C70-V72 PolarHBondContact O-N 3Å; C70-C73 HydrophobicContact CB-CB 4Å; C70-C73 PolarHBondContact O-N 3.43Å; C70-K74 VanDerWaalsContact O-CB 3.23Å; C70-K74 WeakPolarHBondContact O-CB 3.46Å; C70-K74 PolarHBondContact O-N 3.42Å |
| 71 | K | 88.3 | Confident | 85.5 | Confident | 166 Ų | 166 | 88.7 Ų | 88.7 | 72% | 0.722 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60 | -35.9 | -177.7 | -171.4 | 176.3 | -68.9 | -176 | 0 | 113.1 | R75 | K71-R75 WeakPolarHBondContact O-CB 3.43Å; K71-R75 PolarHBondContact O-N 2.76Å; K71-R75 VanDerWaalsContact O-N 3.16Å |
| 72 | V | 88.5 | Confident | 87 | Confident | 82 Ų | 82 | 96.5 Ų | 96.5 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.6 | -50.7 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | C70 K74 R75 K76 | C70-V72 VanDerWaalsContact C-N 3.29Å; C70-V72 PolarHBondContact O-N 3Å; V72-K74 VanDerWaalsContact C-N 3.35Å; V72-K74 PolarHBondContact O-N 3.03Å; V72-R75 PolarHBondContact O-N 3.01Å; V72-K76 PolarHBondContact O-N 2.99Å |
| 73 | C | 88.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 101 Ų | 101 | 17% | 0.169 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 179 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | C65 C70 K76 S77 | C65-C73 PolarHBondContact SG-SG 3.45Å; C70-C73 HydrophobicContact CB-CB 4Å; C70-C73 PolarHBondContact O-N 3.43Å; C73-K76 PolarHBondContact O-N 3.28Å; C73-S77 WeakPolarHBondContact O-CB 3.28Å; C73-S77 PolarHBondContact O-N 3.38Å; C73-S77 PolarHBondContact O-OG 3.15Å |
| 74 | K | 88.7 | Confident | 90 | Very high | 112 Ų | 112 | 105.7 Ų | 105.7 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 174.4 | -172.5 | 176 | -175.9 | 173.3 | 0 | 111.9 | P67 C70 V72 K76 S77 V78 | P67-K74 WeakPolarHBondContact O-CA 3.31Å; P67-K74 VanDerWaalsContact O-CB 3.26Å; P67-K74 WeakPolarHBondContact O-CB 3.48Å; P67-K74 PolarHBondContact O-N 2.93Å; P67-K74 VanDerWaalsContact O-N 3.1Å; C70-K74 VanDerWaalsContact O-CB 3.23Å; C70-K74 WeakPolarHBondContact O-CB 3.46Å; C70-K74 PolarHBondContact O-N 3.42Å; V72-K74 VanDerWaalsContact C-N 3.35Å; V72-K74 PolarHBondContact O-N 3.03Å; K74-K76 VanDerWaalsContact C-N 3.32Å; K74-K76 PolarHBondContact O-N 3.38Å; K74-S77 WeakPolarHBondContact CA-OG 3.48Å; K74-S77 PolarHBondContact O-N 3.12Å; K74-S77 PolarHBondContact O-OG 3.02Å; K74-S77 VanDerWaalsContact O-OG 3.07Å; K74-V78 HydrophobicContact CG-CG2 4.15Å; K74-V78 VanDerWaalsContact O-CB 3.24Å; K74-V78 WeakPolarHBondContact O-CB 3.33Å; K74-V78 WeakPolarHBondContact O-CG2 3.44Å; K74-V78 PolarHBondContact O-N 3.38Å |
| 75 | R | 88.5 | Confident | 90.9 | Very high | 179 Ų | 179 | 100.5 Ų | 100.5 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 178.1 | -169.7 | -175.5 | -66.2 | 156.6 | -3.4 | 111 | K71 V72 S79 | K71-R75 WeakPolarHBondContact O-CB 3.43Å; K71-R75 PolarHBondContact O-N 2.76Å; K71-R75 VanDerWaalsContact O-N 3.16Å; V72-R75 PolarHBondContact O-N 3.01Å; R75-S79 VanDerWaalsContact O-CB 3.27Å; R75-S79 WeakPolarHBondContact O-CB 3.32Å; R75-S79 PolarHBondContact O-N 2.67Å; R75-S79 VanDerWaalsContact O-N 3.07Å |
| 76 | K | 88.3 | Confident | 91.3 | Very high | 146 Ų | 146 | 101.2 Ų | 101.2 | 64% | 0.635 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -49.3 | 176.7 | -171.4 | 75.2 | 175.2 | -159.7 | 0 | 111.4 | V72 C73 K74 S79 V80 | V72-K76 PolarHBondContact O-N 2.99Å; C73-K76 PolarHBondContact O-N 3.28Å; K74-K76 VanDerWaalsContact C-N 3.32Å; K74-K76 PolarHBondContact O-N 3.38Å; K76-S79 PolarHBondContact O-N 3.47Å; K76-V80 VanDerWaalsContact O-CG2 3.31Å; K76-V80 WeakPolarHBondContact O-CG2 3.5Å; K76-V80 PolarHBondContact O-N 3.08Å |
| 77 | S | 89.3 | Confident | 92 | Very high | 36 Ų | 36 | 100.9 Ų | 100.9 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 179.8 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | C73 K74 S79 V80 D81 | C73-S77 WeakPolarHBondContact O-CB 3.28Å; C73-S77 PolarHBondContact O-N 3.38Å; C73-S77 PolarHBondContact O-OG 3.15Å; K74-S77 WeakPolarHBondContact CA-OG 3.48Å; K74-S77 PolarHBondContact O-N 3.12Å; K74-S77 PolarHBondContact O-OG 3.02Å; K74-S77 VanDerWaalsContact O-OG 3.07Å; S77-S79 VanDerWaalsContact C-N 3.27Å; S77-S79 PolarHBondContact O-N 3.42Å; S77-V80 CarbonylContact O-C 3.58Å; S77-V80 PolarHBondContact O-N 3.2Å; S77-D81 WeakPolarHBondContact O-CB 3.31Å; S77-D81 VanDerWaalsContact O-CG 3.3Å; S77-D81 PolarHBondContact O-N 3.05Å |
| 78 | V | 91.4 | Very high | 92.7 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | K74 R82 | K74-V78 HydrophobicContact CG-CG2 4.15Å; K74-V78 VanDerWaalsContact O-CB 3.24Å; K74-V78 WeakPolarHBondContact O-CB 3.33Å; K74-V78 WeakPolarHBondContact O-CG2 3.44Å; K74-V78 PolarHBondContact O-N 3.38Å; V78-R82 VanDerWaalsContact O-CB 3.24Å; V78-R82 WeakPolarHBondContact O-CB 3.42Å; V78-R82 PolarHBondContact O-N 3.37Å |
| 79 | S | 94.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 101.2 Ų | 101.2 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 112 | R75 K76 S77 R82 R83 | R75-S79 VanDerWaalsContact O-CB 3.27Å; R75-S79 WeakPolarHBondContact O-CB 3.32Å; R75-S79 PolarHBondContact O-N 2.67Å; R75-S79 VanDerWaalsContact O-N 3.07Å; K76-S79 PolarHBondContact O-N 3.47Å; S77-S79 VanDerWaalsContact C-N 3.27Å; S77-S79 PolarHBondContact O-N 3.42Å; S79-R82 PolarHBondContact O-N 2.89Å; S79-R83 PolarHBondContact O-N 3.5Å |
| 80 | V | 93.6 | Very high | 93.8 | Very high | 50 Ų | 50 | 101.8 Ų | 101.8 | 30% | 0.303 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | K76 S77 R82 R83 R84 | K76-V80 VanDerWaalsContact O-CG2 3.31Å; K76-V80 WeakPolarHBondContact O-CG2 3.5Å; K76-V80 PolarHBondContact O-N 3.08Å; S77-V80 CarbonylContact O-C 3.58Å; S77-V80 PolarHBondContact O-N 3.2Å; V80-R82 PolarHBondContact O-N 3.32Å; V80-R83 WeakPolarHBondContact O-CB 3.4Å; V80-R83 PolarHBondContact O-N 3Å; V80-R83 VanDerWaalsContact O-N 3.16Å; V80-R84 HydrophobicContact CG1-CG 4.47Å; V80-R84 WeakPolarHBondContact O-CG 3.34Å; V80-R84 PolarHBondContact O-N 2.92Å |
| 81 | D | 96 | Very high | 94.2 | Very high | 88 Ų | 88 | 108 Ų | 108 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 179.2 | -69.4 | -25.6 | 0 | 0 | 0 | 111.3 | S77 R83 R84 A85 | S77-D81 WeakPolarHBondContact O-CB 3.31Å; S77-D81 VanDerWaalsContact O-CG 3.3Å; S77-D81 PolarHBondContact O-N 3.05Å; D81-R83 VanDerWaalsContact C-N 3.31Å; D81-R83 PolarHBondContact O-N 3.33Å; D81-R84 PolarHBondContact O-N 3.29Å; D81-A85 VanDerWaalsContact O-CB 3.28Å; D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 3.12Å |
| 82 | R | 96.8 | Very high | 94.7 | Very high | 201 Ų | 201 | 107.6 Ų | 107.6 | 76% | 0.758 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 173.1 | -174.1 | 179.5 | 177.1 | -142.9 | -0.2 | 111.4 | V78 S79 V80 A85 A86 | V78-R82 VanDerWaalsContact O-CB 3.24Å; V78-R82 WeakPolarHBondContact O-CB 3.42Å; V78-R82 PolarHBondContact O-N 3.37Å; S79-R82 PolarHBondContact O-N 2.89Å; V80-R82 PolarHBondContact O-N 3.32Å; R82-A85 PolarHBondContact O-N 3.42Å; R82-A86 WeakPolarHBondContact O-CB 3.4Å; R82-A86 PolarHBondContact O-N 3.44Å |
| 83 | R | 98.1 | Very high | 95.2 | Very high | 180 Ų | 180 | 109.6 Ų | 109.6 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 176.7 | -172.4 | -175.7 | -63.4 | -173.7 | -2.2 | 111.8 | S79 V80 D81 A86 T87 | S79-R83 PolarHBondContact O-N 3.5Å; V80-R83 WeakPolarHBondContact O-CB 3.4Å; V80-R83 PolarHBondContact O-N 3Å; V80-R83 VanDerWaalsContact O-N 3.16Å; D81-R83 VanDerWaalsContact C-N 3.31Å; D81-R83 PolarHBondContact O-N 3.33Å; R83-A86 PolarHBondContact O-N 3.46Å; R83-T87 PolarHBondContact O-N 2.97Å; R83-T87 PolarHBondContact O-OG1 3.45Å |
| 84 | R | 97.7 | Very high | 95.6 | Very high | 174 Ų | 174 | 111.7 Ų | 111.7 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -45 | 176.1 | -71.9 | 174.9 | 177.4 | -174.6 | -2.1 | 111.3 | V80 D81 A86 T87 L88 | V80-R84 HydrophobicContact CG1-CG 4.47Å; V80-R84 WeakPolarHBondContact O-CG 3.34Å; V80-R84 PolarHBondContact O-N 2.92Å; D81-R84 PolarHBondContact O-N 3.29Å; R84-A86 PolarHBondContact O-N 3.06Å; R84-T87 WeakPolarHBondContact O-CB 3.37Å; R84-T87 PolarHBondContact O-N 3.18Å; R84-L88 PolarHBondContact O-N 2.99Å |
| 85 | A | 98.1 | Very high | 96.1 | Very high | 40 Ų | 40 | 113.8 Ų | 113.8 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D81 R82 L88 R89 | D81-A85 VanDerWaalsContact O-CB 3.28Å; D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 3.12Å; R82-A85 PolarHBondContact O-N 3.42Å; A85-L88 PolarHBondContact O-N 2.92Å; A85-R89 WeakPolarHBondContact O-CG 3.28Å; A85-R89 PolarHBondContact O-N 3.29Å |
| 86 | A | 98.2 | Very high | 96.6 | Very high | 54 Ų | 54 | 112.6 Ų | 112.6 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R82 R83 R84 L88 R89 E90 | R82-A86 WeakPolarHBondContact O-CB 3.4Å; R82-A86 PolarHBondContact O-N 3.44Å; R83-A86 PolarHBondContact O-N 3.46Å; R84-A86 PolarHBondContact O-N 3.06Å; A86-L88 VanDerWaalsContact C-N 3.32Å; A86-L88 PolarHBondContact O-N 3.46Å; A86-R89 PolarHBondContact O-N 3.44Å; A86-E90 PolarHBondContact O-N 3.4Å |
| 87 | T | 98.4 | Very high | 97.1 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.2 | -42.9 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | R83 R84 E90 K91 | R83-T87 PolarHBondContact O-N 2.97Å; R83-T87 PolarHBondContact O-OG1 3.45Å; R84-T87 WeakPolarHBondContact O-CB 3.37Å; R84-T87 PolarHBondContact O-N 3.18Å; T87-E90 PolarHBondContact O-N 2.79Å; T87-K91 WeakPolarHBondContact O-CB 3.39Å; T87-K91 PolarHBondContact O-N 2.87Å |
| 88 | L | 98.7 | Very high | 97.5 | Very high | 85 Ų | 85 | 109.6 Ų | 109.6 | 45% | 0.445 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 179 | -171.5 | 62.3 | 0 | 0 | 0 | 112.2 | R84 A85 A86 K91 R92 | R84-L88 PolarHBondContact O-N 2.99Å; A85-L88 PolarHBondContact O-N 2.92Å; A86-L88 VanDerWaalsContact C-N 3.32Å; A86-L88 PolarHBondContact O-N 3.46Å; L88-K91 PolarHBondContact O-N 3.28Å; L88-R92 WeakPolarHBondContact O-CG 3.4Å; L88-R92 PolarHBondContact O-N 3.26Å |
| 89 | R | 98.8 | Very high | 97.8 | Very high | 181 Ų | 181 | 111.8 Ų | 111.8 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 173.7 | -70.5 | 174.8 | -160.8 | -104 | 3.1 | 111 | A85 A86 R92 R93 | A85-R89 WeakPolarHBondContact O-CG 3.28Å; A85-R89 PolarHBondContact O-N 3.29Å; A86-R89 PolarHBondContact O-N 3.44Å; R89-R92 WeakPolarHBondContact O-CB 3.38Å; R89-R92 PolarHBondContact O-N 3.08Å; R89-R93 PolarHBondContact O-N 3.12Å |
| 90 | E | 98.7 | Very high | 98 | Very high | 79 Ų | 79 | 111.7 Ų | 111.7 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.4 | -178.1 | 55.8 | -163.5 | 0 | 0 | 112 | A86 T87 R92 R93 L94 | A86-E90 PolarHBondContact O-N 3.4Å; T87-E90 PolarHBondContact O-N 2.79Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 3.48Å; E90-R93 WeakPolarHBondContact O-CB 3.49Å; E90-R93 PolarHBondContact O-N 3.37Å; E90-R93 VanDerWaalsContact O-N 3.14Å; E90-R93 IonicContact OE1-CZ 2.83Å; E90-R93 IonicContact OE1-NE 3.79Å; E90-R93 PolarHBondContact OE1-NE 2.69Å; E90-R93 IonicContact OE1-NH2 3.72Å; E90-R93 PolarHBondContact OE1-NH2 3.46Å; E90-R93 WeakPolarHBondContact OE2-CD 3.48Å; E90-R93 IonicContact OE2-CZ 3.28Å; E90-R93 IonicContact OE2-NE 3.36Å; E90-R93 PolarHBondContact OE2-NE 3.01Å; E90-R93 IonicContact OE2-NH2 3.37Å; E90-L94 HydrophobicContact CG-CD1 4.23Å; E90-L94 HydrophobicContact CG-CG 4.5Å; E90-L94 WeakPolarHBondContact O-CG 3.38Å; E90-L94 PolarHBondContact O-N 3.29Å |
| 91 | K | 98.8 | Very high | 98.2 | Very high | 155 Ų | 155 | 111 Ų | 111 | 67% | 0.674 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.3 | -43.8 | 172.3 | -175.9 | 177.1 | -179.4 | 177.3 | 0 | 111.9 | T87 L88 K95 | T87-K91 WeakPolarHBondContact O-CB 3.39Å; T87-K91 PolarHBondContact O-N 2.87Å; L88-K91 PolarHBondContact O-N 3.28Å; K91-K95 PolarHBondContact O-N 3.26Å |
| 92 | R | 98.8 | Very high | 98.3 | Very high | 156 Ų | 156 | 111.1 Ų | 111.1 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 176.6 | -69.8 | 171.3 | -172.4 | 176.9 | 1.5 | 111.8 | L88 R89 E90 K95 K96 | L88-R92 WeakPolarHBondContact O-CG 3.4Å; L88-R92 PolarHBondContact O-N 3.26Å; R89-R92 WeakPolarHBondContact O-CB 3.38Å; R89-R92 PolarHBondContact O-N 3.08Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 3.48Å; R92-K95 PolarHBondContact O-N 3.05Å; R92-K96 PolarHBondContact O-N 3.11Å |
| 93 | R | 98.8 | Very high | 98.3 | Very high | 125 Ų | 125 | 103.4 Ų | 103.4 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 176.4 | -167.2 | -165.7 | 70.7 | 82.2 | 0.4 | 111.2 | R89 E90 K95 K96 V97 | R89-R93 PolarHBondContact O-N 3.12Å; E90-R93 WeakPolarHBondContact O-CB 3.49Å; E90-R93 PolarHBondContact O-N 3.37Å; E90-R93 VanDerWaalsContact O-N 3.14Å; E90-R93 IonicContact OE1-CZ 2.83Å; E90-R93 IonicContact OE1-NE 3.79Å; E90-R93 PolarHBondContact OE1-NE 2.69Å; E90-R93 IonicContact OE1-NH2 3.72Å; E90-R93 PolarHBondContact OE1-NH2 3.46Å; E90-R93 WeakPolarHBondContact OE2-CD 3.48Å; E90-R93 IonicContact OE2-CZ 3.28Å; E90-R93 IonicContact OE2-NE 3.36Å; E90-R93 PolarHBondContact OE2-NE 3.01Å; E90-R93 IonicContact OE2-NH2 3.37Å; R93-K95 VanDerWaalsContact C-N 3.31Å; R93-K95 PolarHBondContact O-N 3.4Å; R93-K96 PolarHBondContact O-N 3.21Å; R93-V97 WeakPolarHBondContact O-CG2 3.28Å; R93-V97 PolarHBondContact O-N 2.96Å |
| 94 | L | 98.6 | Very high | 98.3 | Very high | 69 Ų | 69 | 97.2 Ų | 97.2 | 36% | 0.361 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 178.1 | -70.8 | 174 | 0 | 0 | 0 | 112.6 | E90 V97 N98 | E90-L94 HydrophobicContact CG-CD1 4.23Å; E90-L94 HydrophobicContact CG-CG 4.5Å; E90-L94 WeakPolarHBondContact O-CG 3.38Å; E90-L94 PolarHBondContact O-N 3.29Å; L94-V97 PolarHBondContact O-N 3.12Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 3.39Å; L94-N98 PolarHBondContact O-ND2 3.24Å |
| 95 | K | 98.6 | Very high | 98.3 | Very high | 156 Ų | 156 | 89.4 Ų | 89.4 | 68% | 0.678 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58 | -48.2 | 173.4 | -173.9 | 179.7 | 177.3 | -177 | 0 | 111.3 | K91 R92 R93 V97 N98 E99 | K91-K95 PolarHBondContact O-N 3.26Å; R92-K95 PolarHBondContact O-N 3.05Å; R93-K95 VanDerWaalsContact C-N 3.31Å; R93-K95 PolarHBondContact O-N 3.4Å; K95-V97 PolarHBondContact O-N 3.05Å; K95-N98 PolarHBondContact O-N 3.33Å; K95-E99 PolarHBondContact O-N 3.46Å |
| 96 | K | 98.7 | Very high | 98.2 | Very high | 153 Ų | 153 | 94.9 Ų | 94.9 | 67% | 0.665 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 177.4 | -66.5 | -175.9 | 177.7 | -169.7 | 0 | 112.3 | R92 R93 N98 E99 A100 | R92-K96 PolarHBondContact O-N 3.11Å; R93-K96 PolarHBondContact O-N 3.21Å; K96-N98 VanDerWaalsContact C-N 3.34Å; K96-N98 PolarHBondContact O-N 3.41Å; K96-E99 PolarHBondContact O-N 3.07Å; K96-A100 PolarHBondContact O-N 3.04Å |
| 97 | V | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 95.6 Ų | 95.6 | 29% | 0.291 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | R93 L94 K95 E99 A100 F101 | R93-V97 WeakPolarHBondContact O-CG2 3.28Å; R93-V97 PolarHBondContact O-N 2.96Å; L94-V97 PolarHBondContact O-N 3.12Å; K95-V97 PolarHBondContact O-N 3.05Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 3.36Å; V97-A100 PolarHBondContact O-N 3.29Å; V97-F101 HydrophobicContact CG1-CD2 3.94Å; V97-F101 HydrophobicContact CG1-CE2 3.97Å; V97-F101 WeakPolarHBondContact O-CD2 3.45Å; V97-F101 PolarHBondContact O-N 2.83Å |
| 98 | N | 98.1 | Very high | 98 | Very high | 72 Ų | 72 | 91.9 Ų | 91.9 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.7 | -69.2 | -14.1 | 0 | 0 | 0 | 112 | L94 K95 K96 A100 F101 E102 K118 | L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 3.39Å; L94-N98 PolarHBondContact O-ND2 3.24Å; K95-N98 PolarHBondContact O-N 3.33Å; K96-N98 VanDerWaalsContact C-N 3.34Å; K96-N98 PolarHBondContact O-N 3.41Å; N98-A100 VanDerWaalsContact C-N 3.34Å; N98-A100 PolarHBondContact O-N 3.46Å; N98-F101 WeakPolarHBondContact O-CB 3.25Å; N98-F101 PolarHBondContact O-N 3.16Å; N98-E102 PolarHBondContact O-N 3.24Å; N98-K118 WeakPolarHBondContact OD1-CE 3.47Å; N98-K118 PolarHBondContact OD1-NZ 3.5Å |
| 99 | E | 98.3 | Very high | 97.8 | Very high | 126 Ų | 126 | 89.4 Ų | 89.4 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 173.6 | -176.9 | 179 | 178.7 | 0 | 0 | 112.1 | K95 K96 V97 F101 E102 A103 | K95-E99 PolarHBondContact O-N 3.46Å; K96-E99 PolarHBondContact O-N 3.07Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 3.36Å; E99-F101 VanDerWaalsContact C-N 3.33Å; E99-F101 PolarHBondContact O-N 3.37Å; E99-E102 PolarHBondContact O-N 3.47Å; E99-A103 PolarHBondContact O-N 3.48Å |
| 100 | A | 98.3 | Very high | 97.3 | Very high | 62 Ų | 62 | 88.7 Ų | 88.7 | 51% | 0.512 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K96 V97 N98 A103 L104 | K96-A100 PolarHBondContact O-N 3.04Å; V97-A100 PolarHBondContact O-N 3.29Å; N98-A100 VanDerWaalsContact C-N 3.34Å; N98-A100 PolarHBondContact O-N 3.46Å; A100-A103 PolarHBondContact O-N 2.98Å; A100-L104 WeakPolarHBondContact O-CB 3.37Å; A100-L104 PolarHBondContact O-N 3.26Å |
| 101 | F | 98.3 | Very high | 97 | Very high | 36 Ų | 36 | 90.1 Ų | 90.1 | 16% | 0.158 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 173.7 | -93.2 | -84.1 | 0 | 0 | 0 | 112.3 | V97 N98 E99 A103 L104 K105 K118 I121 L122 | V97-F101 HydrophobicContact CG1-CD2 3.94Å; V97-F101 HydrophobicContact CG1-CE2 3.97Å; V97-F101 WeakPolarHBondContact O-CD2 3.45Å; V97-F101 PolarHBondContact O-N 2.83Å; N98-F101 WeakPolarHBondContact O-CB 3.25Å; N98-F101 PolarHBondContact O-N 3.16Å; E99-F101 VanDerWaalsContact C-N 3.33Å; E99-F101 PolarHBondContact O-N 3.37Å; F101-A103 VanDerWaalsContact C-N 3.33Å; F101-L104 PolarHBondContact O-N 2.78Å; F101-K105 WeakPolarHBondContact O-CG 3.46Å; F101-K105 PolarHBondContact O-N 3.33Å; F101-K118 HydrophobicContact CD1-CB 4.33Å; F101-K118 HydrophobicContact CD1-CG 4.14Å; F101-K118 HydrophobicContact CD2-CD 4.31Å; F101-K118 HydrophobicContact CE1-CB 3.71Å; F101-K118 HydrophobicContact CE1-CD 4.43Å; F101-K118 HydrophobicContact CE1-CG 3.94Å; F101-K118 WeakPolarHBondContact CE1-O 3.03Å; F101-K118 HydrophobicContact CE2-CD 4.01Å; F101-K118 HydrophobicContact CE2-CG 4.39Å; F101-K118 HydrophobicContact CG-CG 4.44Å; F101-K118 HydrophobicContact CZ-CB 3.9Å; F101-K118 HydrophobicContact CZ-CD 4.08Å; F101-K118 HydrophobicContact CZ-CG 4.08Å; F101-I121 HydrophobicContact CD1-CB 4.18Å; F101-I121 HydrophobicContact CD1-CD1 3.9Å; F101-I121 HydrophobicContact CD1-CG2 4.03Å; F101-I121 HydrophobicContact CE1-CB 4.37Å; F101-I121 HydrophobicContact CE1-CG2 4.48Å; F101-L122 HydrophobicContact CE1-CD2 3.99Å; F101-L122 HydrophobicContact CE1-CG 4Å; F101-L122 HydrophobicContact CZ-CD1 4.35Å; F101-L122 HydrophobicContact CZ-CD2 4.1Å; F101-L122 HydrophobicContact CZ-CG 4.22Å |
| 102 | E | 97.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 84.6 Ų | 84.6 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 175.3 | -67.2 | -54.2 | 134.3 | 0 | 0 | 112.1 | N98 E99 K105 R106 | N98-E102 PolarHBondContact O-N 3.24Å; E99-E102 PolarHBondContact O-N 3.47Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 IonicContact OE1-NZ 3.33Å; E102-K105 PolarHBondContact OE1-NZ 3.45Å; E102-K105 IonicContact OE2-NZ 2.67Å; E102-K105 PolarHBondContact OE2-NZ 3.04Å; E102-R106 WeakPolarHBondContact O-CG 3.03Å; E102-R106 PolarHBondContact O-N 3.16Å; E102-R106 VanDerWaalsContact O-N 3.16Å; E102-R106 PolarHBondContact O-NE 2.8Å |
| 103 | A | 97.4 | Very high | 96 | Very high | 38 Ų | 38 | 84.7 Ų | 84.7 | 31% | 0.314 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E99 A100 F101 K105 R106 S107 | E99-A103 PolarHBondContact O-N 3.48Å; A100-A103 PolarHBondContact O-N 2.98Å; F101-A103 VanDerWaalsContact C-N 3.33Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 PolarHBondContact O-N 3.24Å; A103-R106 VanDerWaalsContact CA-CZ 3.47Å; A103-R106 VanDerWaalsContact CA-NH2 3.32Å; A103-R106 PolarHBondContact O-N 3.47Å; A103-S107 PolarHBondContact O-N 3.18Å |
| 104 | L | 97.9 | Very high | 95.7 | Very high | 50 Ų | 50 | 83.7 Ų | 83.7 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.7 | -176.3 | 60.8 | 0 | 0 | 0 | 112.2 | A100 F101 R106 S107 T108 I121 L122 A125 | A100-L104 WeakPolarHBondContact O-CB 3.37Å; A100-L104 PolarHBondContact O-N 3.26Å; F101-L104 PolarHBondContact O-N 2.78Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 3.48Å; L104-S107 PolarHBondContact O-N 2.89Å; L104-S107 PolarHBondContact O-OG 3.47Å; L104-T108 HydrophobicContact CD1-CG2 3.7Å; L104-T108 HydrophobicContact CG-CG2 4.39Å; L104-T108 WeakPolarHBondContact O-CB 3.37Å; L104-T108 PolarHBondContact O-N 3.32Å; L104-T108 PolarHBondContact O-OG1 2.91Å; L104-I121 HydrophobicContact CB-CG2 4.43Å; L104-I121 HydrophobicContact CD2-CG2 3.89Å; L104-I121 HydrophobicContact CG-CG2 4.05Å; L104-L122 HydrophobicContact CD2-CD2 4.19Å; L104-A125 HydrophobicContact CD1-CB 3.84Å; L104-A125 HydrophobicContact CD2-CB 4.08Å; L104-A125 HydrophobicContact CG-CB 4.18Å |
| 105 | K | 97.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 91.8 Ų | 91.8 | 4% | 0.043 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 174.2 | -74.4 | 172.3 | 63.3 | -157 | 0 | 111.6 | F101 E102 A103 S107 T108 L109 P112 Q114 I121 | F101-K105 WeakPolarHBondContact O-CG 3.46Å; F101-K105 PolarHBondContact O-N 3.33Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 IonicContact OE1-NZ 3.33Å; E102-K105 PolarHBondContact OE1-NZ 3.45Å; E102-K105 IonicContact OE2-NZ 2.67Å; E102-K105 PolarHBondContact OE2-NZ 3.04Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 PolarHBondContact O-N 3.24Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.94Å; K105-T108 PolarHBondContact O-N 3.31Å; K105-L109 HydrophobicContact CB-CD1 3.93Å; K105-L109 HydrophobicContact CG-CD1 3.75Å; K105-L109 VanDerWaalsContact O-CB 3.28Å; K105-L109 WeakPolarHBondContact O-CB 3.47Å; K105-L109 PolarHBondContact O-N 3.22Å; K105-P112 WeakPolarHBondContact CE-O 3.38Å; K105-P112 PolarHBondContact NZ-O 3.23Å; K105-Q114 VanDerWaalsContact CE-O 3.25Å; K105-Q114 WeakPolarHBondContact CE-O 3.45Å; K105-Q114 PolarHBondContact NZ-O 3.4Å; K105-Q114 VanDerWaalsContact NZ-O 3.16Å; K105-I121 HydrophobicContact CD-CD1 3.61Å; K105-I121 HydrophobicContact CD-CG1 4.22Å; K105-I121 HydrophobicContact CG-CD1 3.7Å; K105-I121 HydrophobicContact CG-CG1 3.87Å; K105-I121 HydrophobicContact CG-CG2 3.81Å |
| 106 | R | 96.9 | Very high | 95.2 | Very high | 156 Ų | 156 | 86.2 Ų | 86.2 | 59% | 0.589 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.8 | -30.4 | 178.8 | -75.5 | -179.6 | -84.4 | 114.1 | -11.3 | 113.5 | E102 A103 L104 P112 | E102-R106 WeakPolarHBondContact O-CG 3.03Å; E102-R106 PolarHBondContact O-N 3.16Å; E102-R106 VanDerWaalsContact O-N 3.16Å; E102-R106 PolarHBondContact O-NE 2.8Å; A103-R106 VanDerWaalsContact CA-CZ 3.47Å; A103-R106 VanDerWaalsContact CA-NH2 3.32Å; A103-R106 PolarHBondContact O-N 3.47Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 3.48Å; R106-P112 HydrophobicContact CG-CB 3.8Å; R106-P112 HydrophobicContact CG-CG 4.36Å |
| 107 | S | 95.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 81.9 Ų | 81.9 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -90.3 | -26.1 | -178.9 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | A103 L104 K105 Y128 | A103-S107 PolarHBondContact O-N 3.18Å; L104-S107 PolarHBondContact O-N 2.89Å; L104-S107 PolarHBondContact O-OG 3.47Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.94Å; S107-Y128 WeakPolarHBondContact O-CE1 3.49Å |
| 108 | T | 96.5 | Very high | 95.1 | Very high | 14 Ų | 14 | 84 Ų | 84 | 9% | 0.086 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -110.9 | -25.3 | -170.5 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | L104 K105 A125 Y128 | L104-T108 HydrophobicContact CD1-CG2 3.7Å; L104-T108 HydrophobicContact CG-CG2 4.39Å; L104-T108 WeakPolarHBondContact O-CB 3.37Å; L104-T108 PolarHBondContact O-N 3.32Å; L104-T108 PolarHBondContact O-OG1 2.91Å; K105-T108 PolarHBondContact O-N 3.31Å; T108-A125 HydrophobicContact CG2-CB 3.81Å; T108-Y128 HydrophobicContact CG2-CD1 3.95Å; T108-Y128 HydrophobicContact CG2-CG 4.37Å |
| 109 | L | 93.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 84 Ų | 84 | 17% | 0.173 | 43% | 0.429 | C | S | . | . | trans | -105.9 | 142.2 | -176.7 | -54.7 | 176 | 0 | 0 | 0 | 110.9 | K105 N111 L116 S124 | K105-L109 HydrophobicContact CB-CD1 3.93Å; K105-L109 HydrophobicContact CG-CD1 3.75Å; K105-L109 VanDerWaalsContact O-CB 3.28Å; K105-L109 WeakPolarHBondContact O-CB 3.47Å; K105-L109 PolarHBondContact O-N 3.22Å; L109-N111 VanDerWaalsContact C-N 3.28Å; L109-N111 PolarHBondContact O-N 3.32Å; L109-L116 HydrophobicContact CD1-CD1 3.45Å; L109-L116 VanDerWaalsContact CD1-CD1 3.45Å; L109-L116 HydrophobicContact CD2-CD1 4.32Å; L109-S124 VanDerWaalsContact CD2-CB 3.48Å | ||
| 110 | L | 89.4 | Confident | 95.1 | Very high | 167 Ų | 167 | 82 Ų | 82 | 87% | 0.874 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -66.8 | -32.1 | 173.9 | -66.1 | 158.6 | 0 | 0 | 0 | 111.8 | ||
| 111 | N | 90.8 | Very high | 95 | Very high | 109 Ų | 109 | 79.2 Ų | 79.2 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | trans | -121.8 | 87.2 | -178.3 | -70.1 | -61.7 | 0 | 0 | 0 | 111 | L109 N113 Q114 | L109-N111 VanDerWaalsContact C-N 3.28Å; L109-N111 PolarHBondContact O-N 3.32Å; N111-N113 PolarHBondContact O-N 2.69Å; N111-Q114 WeakPolarHBondContact O-CB 3.45Å; N111-Q114 PolarHBondContact O-N 2.79Å | ||
| 112 | P | 87.9 | Confident | 95 | Very high | 39 Ų | 39 | 81.4 Ų | 81.4 | 25% | 0.253 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.5 | -176.9 | 26.7 | -34.4 | 0 | 0 | 0 | 113.7 | K105 R106 Q114 | K105-P112 WeakPolarHBondContact CE-O 3.38Å; K105-P112 PolarHBondContact NZ-O 3.23Å; R106-P112 HydrophobicContact CG-CB 3.8Å; R106-P112 HydrophobicContact CG-CG 4.36Å; P112-Q114 VanDerWaalsContact C-N 3.25Å; P112-Q114 PolarHBondContact O-N 3.19Å |
| 113 | N | 90.4 | Very high | 95.1 | Very high | 158 Ų | 158 | 83.7 Ų | 83.7 | 85% | 0.845 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -12.1 | 178.3 | -63.6 | -37.1 | 0 | 0 | 0 | 113.3 | N111 R115 | N111-N113 PolarHBondContact O-N 2.69Å; N113-R115 PolarHBondContact O-N 3.2Å |
| 114 | Q | 92.1 | Very high | 95.1 | Very high | 104 Ų | 104 | 83.3 Ų | 83.3 | 49% | 0.486 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -66.9 | 132 | 176.4 | -171.5 | 177.1 | -8.4 | 0 | 0 | 110.4 | K105 N111 P112 L116 | K105-Q114 VanDerWaalsContact CE-O 3.25Å; K105-Q114 WeakPolarHBondContact CE-O 3.45Å; K105-Q114 PolarHBondContact NZ-O 3.4Å; K105-Q114 VanDerWaalsContact NZ-O 3.16Å; N111-Q114 WeakPolarHBondContact O-CB 3.45Å; N111-Q114 PolarHBondContact O-N 2.79Å; P112-Q114 VanDerWaalsContact C-N 3.25Å; P112-Q114 PolarHBondContact O-N 3.19Å; Q114-L116 HydrophobicContact CG-CD2 4.11Å; Q114-L116 HydrophobicContact CG-CG 4.05Å; Q114-L116 PolarHBondContact O-N 3.07Å |
| 115 | R | 93.7 | Very high | 95.1 | Very high | 238 Ų | 238 | 81.4 Ų | 81.4 | 90% | 0.898 | 40% | 0.401 | S | S | * | . | trans | -77.4 | 118.8 | 170.5 | -65.7 | -174.7 | 78.2 | 170.2 | 3.2 | 108.3 | N113 | N113-R115 PolarHBondContact O-N 3.2Š| ||
| 116 | L | 93.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 85.6 Ų | 85.6 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | trans | -128.9 | 148.9 | 178.1 | -69.4 | 175 | 0 | 0 | 0 | 110.1 | L109 Q114 I121 | L109-L116 HydrophobicContact CD1-CD1 3.45Å; L109-L116 VanDerWaalsContact CD1-CD1 3.45Å; L109-L116 HydrophobicContact CD2-CD1 4.32Å; Q114-L116 HydrophobicContact CG-CD2 4.11Å; Q114-L116 HydrophobicContact CG-CG 4.05Å; Q114-L116 PolarHBondContact O-N 3.07Å; L116-I121 HydrophobicContact CB-CD1 4.41Å; L116-I121 HydrophobicContact CB-CG1 3.91Å | ||
| 117 | P | 97 | Very high | 95.2 | Very high | 62 Ų | 62 | 83.4 Ų | 83.4 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | trans | -67.6 | 147.8 | 172.3 | 29.6 | -33.7 | 0 | 0 | 0 | 110.4 | V119 E120 I121 | P117-V119 HydrophobicContact CB-CG1 4.41Å; P117-V119 PolarHBondContact O-N 3.33Å; P117-V119 VanDerWaalsContact O-N 3.12Å; P117-E120 VanDerWaalsContact CD-OE2 3.28Å; P117-E120 WeakPolarHBondContact CD-OE2 3.49Å; P117-E120 HydrophobicContact CG-CB 3.82Å; P117-E120 HydrophobicContact CG-CG 3.6Å; P117-E120 WeakPolarHBondContact CG-OE2 3.5Å; P117-E120 PolarHBondContact O-N 3.35Å; P117-I121 PolarHBondContact O-N 3.47Å | ||
| 118 | K | 97.5 | Very high | 95.3 | Very high | 93 Ų | 93 | 84.1 Ų | 84.1 | 40% | 0.404 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -53 | -39 | -177.1 | -71.3 | -174.3 | 175 | -174.5 | 0 | 112.8 | N98 F101 E120 I121 L122 | N98-K118 WeakPolarHBondContact OD1-CE 3.47Å; N98-K118 PolarHBondContact OD1-NZ 3.5Å; F101-K118 HydrophobicContact CD1-CB 4.33Å; F101-K118 HydrophobicContact CD1-CG 4.14Å; F101-K118 HydrophobicContact CD2-CD 4.31Å; F101-K118 HydrophobicContact CE1-CB 3.71Å; F101-K118 HydrophobicContact CE1-CD 4.43Å; F101-K118 HydrophobicContact CE1-CG 3.94Å; F101-K118 WeakPolarHBondContact CE1-O 3.03Å; F101-K118 HydrophobicContact CE2-CD 4.01Å; F101-K118 HydrophobicContact CE2-CG 4.39Å; F101-K118 HydrophobicContact CG-CG 4.44Å; F101-K118 HydrophobicContact CZ-CB 3.9Å; F101-K118 HydrophobicContact CZ-CD 4.08Å; F101-K118 HydrophobicContact CZ-CG 4.08Å; K118-E120 VanDerWaalsContact C-N 3.34Å; K118-E120 PolarHBondContact O-N 3.04Å; K118-I121 PolarHBondContact O-N 3.27Å; K118-L122 WeakPolarHBondContact O-CG 3.4Å; K118-L122 PolarHBondContact O-N 3.32Å |
| 119 | V | 98.3 | Very high | 95.4 | Very high | 72 Ų | 72 | 87.8 Ų | 87.8 | 44% | 0.436 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 179.4 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | P117 L122 R123 | P117-V119 HydrophobicContact CB-CG1 4.41Å; P117-V119 PolarHBondContact O-N 3.33Å; P117-V119 VanDerWaalsContact O-N 3.12Å; V119-L122 PolarHBondContact O-N 3.28Å; V119-R123 WeakPolarHBondContact O-CG 3.47Å; V119-R123 PolarHBondContact O-N 2.65Å |
| 120 | E | 97.4 | Very high | 95.7 | Very high | 82 Ų | 82 | 91.2 Ų | 91.2 | 38% | 0.383 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.9 | -34.1 | 178.8 | -74.4 | 175.4 | -163.9 | 0 | 0 | 112.3 | P117 K118 L122 R123 S124 | P117-E120 VanDerWaalsContact CD-OE2 3.28Å; P117-E120 WeakPolarHBondContact CD-OE2 3.49Å; P117-E120 HydrophobicContact CG-CB 3.82Å; P117-E120 HydrophobicContact CG-CG 3.6Å; P117-E120 WeakPolarHBondContact CG-OE2 3.5Å; P117-E120 PolarHBondContact O-N 3.35Å; K118-E120 VanDerWaalsContact C-N 3.34Å; K118-E120 PolarHBondContact O-N 3.04Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 3.28Å; E120-R123 PolarHBondContact O-N 2.78Å; E120-S124 WeakPolarHBondContact O-CB 3.22Å; E120-S124 PolarHBondContact O-N 3.32Å; E120-S124 PolarHBondContact O-OG 2.71Å |
| 121 | I | 97.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 90.6 Ų | 90.6 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | 171.8 | -59.5 | 166 | 0 | 0 | 0 | 109.6 | F101 L104 K105 L116 P117 K118 S124 A125 | F101-I121 HydrophobicContact CD1-CB 4.18Å; F101-I121 HydrophobicContact CD1-CD1 3.9Å; F101-I121 HydrophobicContact CD1-CG2 4.03Å; F101-I121 HydrophobicContact CE1-CB 4.37Å; F101-I121 HydrophobicContact CE1-CG2 4.48Å; L104-I121 HydrophobicContact CB-CG2 4.43Å; L104-I121 HydrophobicContact CD2-CG2 3.89Å; L104-I121 HydrophobicContact CG-CG2 4.05Å; K105-I121 HydrophobicContact CD-CD1 3.61Å; K105-I121 HydrophobicContact CD-CG1 4.22Å; K105-I121 HydrophobicContact CG-CD1 3.7Å; K105-I121 HydrophobicContact CG-CG1 3.87Å; K105-I121 HydrophobicContact CG-CG2 3.81Å; L116-I121 HydrophobicContact CB-CD1 4.41Å; L116-I121 HydrophobicContact CB-CG1 3.91Å; P117-I121 PolarHBondContact O-N 3.47Å; K118-I121 PolarHBondContact O-N 3.27Å; I121-S124 PolarHBondContact O-N 3.47Å; I121-A125 PolarHBondContact O-N 3.38Å |
| 122 | L | 98.4 | Very high | 96.4 | Very high | 83 Ų | 83 | 88.7 Ų | 88.7 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.1 | -64.7 | 175 | 0 | 0 | 0 | 112.2 | F101 L104 K118 V119 E120 S124 A125 I126 | F101-L122 HydrophobicContact CE1-CD2 3.99Å; F101-L122 HydrophobicContact CE1-CG 4Å; F101-L122 HydrophobicContact CZ-CD1 4.35Å; F101-L122 HydrophobicContact CZ-CD2 4.1Å; F101-L122 HydrophobicContact CZ-CG 4.22Å; L104-L122 HydrophobicContact CD2-CD2 4.19Å; K118-L122 WeakPolarHBondContact O-CG 3.4Å; K118-L122 PolarHBondContact O-N 3.32Å; V119-L122 PolarHBondContact O-N 3.28Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 3.28Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 3.03Å; L122-A125 WeakPolarHBondContact O-CB 3.44Å; L122-A125 PolarHBondContact O-N 3.42Å; L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 3.4Å; L122-I126 VanDerWaalsContact O-N 3.12Å |
| 123 | R | 98.2 | Very high | 96.9 | Very high | 137 Ų | 137 | 92.2 Ų | 92.2 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 176 | -70.3 | 179.6 | -168.8 | 132.1 | -1.3 | 112 | V119 E120 A125 I126 Q127 | V119-R123 WeakPolarHBondContact O-CG 3.47Å; V119-R123 PolarHBondContact O-N 2.65Å; E120-R123 PolarHBondContact O-N 2.78Å; R123-A125 VanDerWaalsContact C-N 3.3Å; R123-A125 PolarHBondContact O-N 2.97Å; R123-I126 PolarHBondContact O-N 2.89Å; R123-Q127 WeakPolarHBondContact O-CG 3.38Å; R123-Q127 PolarHBondContact O-N 3.39Å; R123-Q127 VanDerWaalsContact O-N 3.08Å |
| 124 | S | 97.3 | Very high | 97.3 | Very high | 31 Ų | 31 | 89.3 Ų | 89.3 | 22% | 0.217 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | L109 E120 I121 L122 Q127 Y128 | L109-S124 VanDerWaalsContact CD2-CB 3.48Å; E120-S124 WeakPolarHBondContact O-CB 3.22Å; E120-S124 PolarHBondContact O-N 3.32Å; E120-S124 PolarHBondContact O-OG 2.71Å; I121-S124 PolarHBondContact O-N 3.47Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 3.03Å; S124-Q127 PolarHBondContact O-N 3.22Å; S124-Y128 WeakPolarHBondContact O-CB 3.47Å; S124-Y128 PolarHBondContact O-N 2.83Å |
| 125 | A | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 88.8 Ų | 88.8 | 8% | 0.083 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L104 T108 I121 L122 R123 Y128 I129 | L104-A125 HydrophobicContact CD1-CB 3.84Å; L104-A125 HydrophobicContact CD2-CB 4.08Å; L104-A125 HydrophobicContact CG-CB 4.18Å; T108-A125 HydrophobicContact CG2-CB 3.81Å; I121-A125 PolarHBondContact O-N 3.38Å; L122-A125 WeakPolarHBondContact O-CB 3.44Å; L122-A125 PolarHBondContact O-N 3.42Å; R123-A125 VanDerWaalsContact C-N 3.3Å; R123-A125 PolarHBondContact O-N 2.97Å; A125-Y128 PolarHBondContact O-N 3.05Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 2.91Å; A125-I129 VanDerWaalsContact O-N 3.08Å |
| 126 | I | 98.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 83.1 Ų | 83.1 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -51.7 | 176.1 | -65.6 | 164.3 | 0 | 0 | 0 | 110 | L122 R123 Y128 I129 E130 | L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 3.4Å; L122-I126 VanDerWaalsContact O-N 3.12Å; R123-I126 PolarHBondContact O-N 2.89Å; I126-Y128 VanDerWaalsContact C-N 3.26Å; I126-Y128 PolarHBondContact O-N 3.21Å; I126-I129 PolarHBondContact O-N 3.34Å; I126-I129 VanDerWaalsContact O-N 3.15Å; I126-E130 WeakPolarHBondContact O-CG 3.22Å; I126-E130 PolarHBondContact O-N 3.25Å |
| 127 | Q | 98.3 | Very high | 97.9 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.8 | -32.5 | 178.9 | -69 | 175.1 | 8.2 | 0 | 0 | 113 | R123 S124 R131 | R123-Q127 WeakPolarHBondContact O-CG 3.38Å; R123-Q127 PolarHBondContact O-N 3.39Å; R123-Q127 VanDerWaalsContact O-N 3.08Å; S124-Q127 PolarHBondContact O-N 3.22Å; Q127-R131 WeakPolarHBondContact O-CB 3.24Å; Q127-R131 VanDerWaalsContact O-CG 3.28Å; Q127-R131 WeakPolarHBondContact O-CG 3.5Å; Q127-R131 PolarHBondContact O-N 2.98Å; Q127-R131 VanDerWaalsContact O-N 3.12Å; Q127-R131 PolarHBondContact O-NE 3.34Å |
| 128 | Y | 98.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 85 Ų | 85 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 175.8 | -176.5 | -113.4 | 0 | 0 | 0 | 111.4 | S107 T108 S124 A125 I126 R131 L132 | S107-Y128 WeakPolarHBondContact O-CE1 3.49Å; T108-Y128 HydrophobicContact CG2-CD1 3.95Å; T108-Y128 HydrophobicContact CG2-CG 4.37Å; S124-Y128 WeakPolarHBondContact O-CB 3.47Å; S124-Y128 PolarHBondContact O-N 2.83Å; A125-Y128 PolarHBondContact O-N 3.05Å; I126-Y128 VanDerWaalsContact C-N 3.26Å; I126-Y128 PolarHBondContact O-N 3.21Å; Y128-R131 PolarHBondContact O-N 3.38Å; Y128-L132 HydrophobicContact CD1-CD1 3.92Å; Y128-L132 HydrophobicContact CE1-CD1 3.45Å; Y128-L132 VanDerWaalsContact CE1-CD1 3.45Å; Y128-L132 HydrophobicContact CE1-CG 4.28Å; Y128-L132 HydrophobicContact CE2-CD1 4.34Å; Y128-L132 HydrophobicContact CE2-CD2 4.44Å; Y128-L132 HydrophobicContact CE2-CG 4.34Å; Y128-L132 WeakPolarHBondContact O-CG 3.34Å; Y128-L132 PolarHBondContact O-N 2.93Å |
| 129 | I | 98.3 | Very high | 97.9 | Very high | 92 Ų | 92 | 84.7 Ų | 84.7 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 176.7 | -65.5 | 165.8 | 0 | 0 | 0 | 110.6 | A125 I126 R131 L132 Q133 | A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 2.91Å; A125-I129 VanDerWaalsContact O-N 3.08Å; I126-I129 PolarHBondContact O-N 3.34Å; I126-I129 VanDerWaalsContact O-N 3.15Å; I129-R131 VanDerWaalsContact C-N 3.33Å; I129-R131 PolarHBondContact O-N 3.02Å; I129-L132 PolarHBondContact O-N 3.46Å; I129-Q133 HydrophobicContact CG2-CG 4.3Å; I129-Q133 VanDerWaalsContact O-CG 3.32Å; I129-Q133 WeakPolarHBondContact O-CG 3.29Å; I129-Q133 PolarHBondContact O-N 2.88Å |
| 130 | E | 98.5 | Very high | 97.7 | Very high | 104 Ų | 104 | 85 Ų | 85 | 49% | 0.486 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 179.3 | -70.3 | 170.8 | 167.3 | 0 | 0 | 112.5 | I126 Q133 T134 | I126-E130 WeakPolarHBondContact O-CG 3.22Å; I126-E130 PolarHBondContact O-N 3.25Å; E130-Q133 PolarHBondContact O-N 3.14Å; E130-T134 PolarHBondContact O-N 3.4Å; E130-T134 PolarHBondContact O-OG1 3.03Å |
| 131 | R | 98.3 | Very high | 97.5 | Very high | 155 Ų | 155 | 85.9 Ų | 85.9 | 59% | 0.585 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 175.6 | -75.5 | -174.8 | -63.7 | 155.9 | -2.5 | 112.1 | Q127 Y128 I129 T134 L135 | Q127-R131 WeakPolarHBondContact O-CB 3.24Å; Q127-R131 VanDerWaalsContact O-CG 3.28Å; Q127-R131 WeakPolarHBondContact O-CG 3.5Å; Q127-R131 PolarHBondContact O-N 2.98Å; Q127-R131 VanDerWaalsContact O-N 3.12Å; Q127-R131 PolarHBondContact O-NE 3.34Å; Y128-R131 PolarHBondContact O-N 3.38Å; I129-R131 VanDerWaalsContact C-N 3.33Å; I129-R131 PolarHBondContact O-N 3.02Å; R131-T134 PolarHBondContact O-N 3.04Å; R131-L135 PolarHBondContact O-N 3.38Å |
| 132 | L | 98.1 | Very high | 97.3 | Very high | 69 Ų | 69 | 91.1 Ų | 91.1 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.7 | -69.7 | 179.6 | 0 | 0 | 0 | 111.9 | Y128 I129 T134 L135 L136 | Y128-L132 HydrophobicContact CD1-CD1 3.92Å; Y128-L132 HydrophobicContact CE1-CD1 3.45Å; Y128-L132 VanDerWaalsContact CE1-CD1 3.45Å; Y128-L132 HydrophobicContact CE1-CG 4.28Å; Y128-L132 HydrophobicContact CE2-CD1 4.34Å; Y128-L132 HydrophobicContact CE2-CD2 4.44Å; Y128-L132 HydrophobicContact CE2-CG 4.34Å; Y128-L132 WeakPolarHBondContact O-CG 3.34Å; Y128-L132 PolarHBondContact O-N 2.93Å; I129-L132 PolarHBondContact O-N 3.46Å; L132-T134 VanDerWaalsContact C-N 3.32Å; L132-T134 PolarHBondContact O-N 3.46Å; L132-L135 PolarHBondContact O-N 3.34Å; L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.25Å |
| 133 | Q | 98.4 | Very high | 97 | Very high | 112 Ų | 112 | 91.3 Ų | 91.3 | 52% | 0.523 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.3 | -73.4 | 171 | -21.8 | 0 | 0 | 111.9 | I129 E130 S137 | I129-Q133 HydrophobicContact CG2-CG 4.3Å; I129-Q133 VanDerWaalsContact O-CG 3.32Å; I129-Q133 WeakPolarHBondContact O-CG 3.29Å; I129-Q133 PolarHBondContact O-N 2.88Å; E130-Q133 PolarHBondContact O-N 3.14Å; Q133-S137 WeakPolarHBondContact O-CB 3.45Å; Q133-S137 PolarHBondContact O-N 2.94Å; Q133-S137 PolarHBondContact O-OG 3.32Å |
| 134 | T | 98 | Very high | 96.7 | Very high | 98 Ų | 98 | 92 Ų | 92 | 60% | 0.601 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.1 | -45.8 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | E130 R131 L132 S137 S138 | E130-T134 PolarHBondContact O-N 3.4Å; E130-T134 PolarHBondContact O-OG1 3.03Å; R131-T134 PolarHBondContact O-N 3.04Å; L132-T134 VanDerWaalsContact C-N 3.32Å; L132-T134 PolarHBondContact O-N 3.46Å; T134-S137 PolarHBondContact O-N 2.92Å; T134-S138 PolarHBondContact O-N 3Å; T134-S138 PolarHBondContact O-OG 3.37Å |
| 135 | L | 98.1 | Very high | 96.3 | Very high | 92 Ų | 92 | 94.6 Ų | 94.6 | 48% | 0.482 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 178.1 | 179.5 | 64 | 0 | 0 | 0 | 112.4 | R131 L132 S137 S138 L139 | R131-L135 PolarHBondContact O-N 3.38Å; L132-L135 PolarHBondContact O-N 3.34Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.23Å; L135-S138 PolarHBondContact O-N 3Å; L135-S138 PolarHBondContact O-OG 3.06Å; L135-L139 HydrophobicContact CD1-CD1 4.28Å; L135-L139 HydrophobicContact CD1-CG 4.39Å; L135-L139 HydrophobicContact CG-CD1 4.11Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.32Å; L135-L139 PolarHBondContact O-N 2.98Å |
| 136 | L | 97.8 | Very high | 95.7 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.7 | -37 | 177.3 | -71.8 | 173.2 | 0 | 0 | 0 | 111.9 | L132 N140 | L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.25Å; L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 PolarHBondContact O-N 3.49Å |
| 137 | S | 96.8 | Very high | 95 | Very high | 78 Ų | 78 | 103 Ų | 103 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | Q133 T134 L135 Q141 | Q133-S137 WeakPolarHBondContact O-CB 3.45Å; Q133-S137 PolarHBondContact O-N 2.94Å; Q133-S137 PolarHBondContact O-OG 3.32Å; T134-S137 PolarHBondContact O-N 2.92Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.23Å; S137-Q141 WeakPolarHBondContact O-CB 3.13Å; S137-Q141 PolarHBondContact O-N 3.46Å |
| 138 | S | 96.8 | Very high | 93.6 | Very high | 63 Ų | 63 | 108 Ų | 108 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.1 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | T134 L135 N140 Q141 E142 | T134-S138 PolarHBondContact O-N 3Å; T134-S138 PolarHBondContact O-OG 3.37Å; L135-S138 PolarHBondContact O-N 3Å; L135-S138 PolarHBondContact O-OG 3.06Å; S138-N140 PolarHBondContact O-N 3.5Å; S138-Q141 PolarHBondContact O-N 3.19Å; S138-E142 PolarHBondContact O-N 3.21Å |
| 139 | L | 96.2 | Very high | 92.1 | Very high | 88 Ų | 88 | 114.9 Ų | 114.9 | 46% | 0.461 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 178.3 | -71.2 | 171.7 | 0 | 0 | 0 | 112.1 | L135 E142 E143 | L135-L139 HydrophobicContact CD1-CD1 4.28Å; L135-L139 HydrophobicContact CD1-CG 4.39Å; L135-L139 HydrophobicContact CG-CD1 4.11Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.32Å; L135-L139 PolarHBondContact O-N 2.98Å; L139-E142 PolarHBondContact O-N 2.93Å; L139-E143 WeakPolarHBondContact O-CB 3.27Å; L139-E143 PolarHBondContact O-N 3.37Å |
| 140 | N | 94.5 | Very high | 90.3 | Very high | 78 Ų | 78 | 113.8 Ų | 113.8 | 42% | 0.417 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69 | -36.2 | 176.7 | -165.5 | -12 | 0 | 0 | 0 | 111.7 | L136 S138 E143 R144 | L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 PolarHBondContact O-N 3.49Å; S138-N140 PolarHBondContact O-N 3.5Å; N140-E143 PolarHBondContact O-N 3.48Å; N140-R144 VanDerWaalsContact O-CG 3.29Å; N140-R144 WeakPolarHBondContact O-CG 3.28Å; N140-R144 PolarHBondContact O-N 3.05Å; N140-R144 PolarHBondContact OD1-NE 3.01Å |
| 141 | Q | 93.4 | Very high | 88.2 | Confident | 100 Ų | 100 | 111.8 Ų | 111.8 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.9 | -46 | 173.3 | -175 | 60.3 | 42.3 | 0 | 0 | 111.2 | S137 S138 E143 R144 D145 | S137-Q141 WeakPolarHBondContact O-CB 3.13Å; S137-Q141 PolarHBondContact O-N 3.46Å; S138-Q141 PolarHBondContact O-N 3.19Å; Q141-E143 VanDerWaalsContact C-N 3.34Å; Q141-E143 PolarHBondContact O-N 3.16Å; Q141-R144 PolarHBondContact O-N 2.89Å; Q141-D145 PolarHBondContact NE2-OD1 3.07Å; Q141-D145 VanDerWaalsContact O-CG 3.24Å; Q141-D145 PolarHBondContact O-N 3.28Å |
| 142 | E | 93.6 | Very high | 85.9 | Confident | 114 Ų | 114 | 108.2 Ų | 108.2 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60 | -43.3 | 175.6 | -175.8 | 179.2 | 179.3 | 0 | 0 | 111.7 | S138 L139 R144 D145 L146 | S138-E142 PolarHBondContact O-N 3.21Å; L139-E142 PolarHBondContact O-N 2.93Å; E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 PolarHBondContact O-N 2.91Å; E142-D145 PolarHBondContact O-N 3.35Å; E142-L146 HydrophobicContact CG-CD1 4.33Å; E142-L146 WeakPolarHBondContact O-CB 3.47Å; E142-L146 VanDerWaalsContact O-CG 3.31Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 2.77Å |
| 143 | E | 92.2 | Very high | 83.4 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 41% | 0.407 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.9 | -43.3 | 175.4 | -169.9 | -170.1 | 163.3 | 0 | 0 | 111.8 | L139 N140 Q141 L146 R147 | L139-E143 WeakPolarHBondContact O-CB 3.27Å; L139-E143 PolarHBondContact O-N 3.37Å; N140-E143 PolarHBondContact O-N 3.48Å; Q141-E143 VanDerWaalsContact C-N 3.34Å; Q141-E143 PolarHBondContact O-N 3.16Å; E143-L146 PolarHBondContact O-N 3.05Å; E143-R147 WeakPolarHBondContact O-CG 3.47Å; E143-R147 PolarHBondContact O-N 3.49Å; E143-R147 IonicContact OE1-CZ 2.79Å; E143-R147 IonicContact OE1-NE 3.19Å; E143-R147 PolarHBondContact OE1-NE 3.45Å; E143-R147 IonicContact OE1-NH2 2.69Å; E143-R147 PolarHBondContact OE1-NH2 3.27Å |
| 144 | R | 91.9 | Very high | 81 | Confident | 151 Ų | 151 | 108.7 Ų | 108.7 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.7 | -41.4 | 176.2 | -73.9 | 177.5 | -179.5 | -145.6 | -2.1 | 112 | N140 Q141 E142 L146 R147 Y148 | N140-R144 VanDerWaalsContact O-CG 3.29Å; N140-R144 WeakPolarHBondContact O-CG 3.28Å; N140-R144 PolarHBondContact O-N 3.05Å; N140-R144 PolarHBondContact OD1-NE 3.01Å; Q141-R144 PolarHBondContact O-N 2.89Å; E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 PolarHBondContact O-N 2.91Å; R144-L146 VanDerWaalsContact C-N 3.35Å; R144-R147 PolarHBondContact O-N 3.26Å; R144-Y148 PolarHBondContact O-N 2.9Å |
| 145 | D | 88.1 | Confident | 78.5 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 47% | 0.465 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.5 | -37.9 | 178.4 | -68.5 | -18.2 | 0 | 0 | 0 | 111.3 | Q141 E142 Y148 R149 | Q141-D145 PolarHBondContact NE2-OD1 3.07Å; Q141-D145 VanDerWaalsContact O-CG 3.24Å; Q141-D145 PolarHBondContact O-N 3.28Å; E142-D145 PolarHBondContact O-N 3.35Å; D145-Y148 PolarHBondContact O-N 3.3Å; D145-R149 VanDerWaalsContact O-CB 3.29Å; D145-R149 WeakPolarHBondContact O-CB 3.24Å; D145-R149 PolarHBondContact O-N 3.48Å |
| 146 | L | 87.1 | Confident | 76.4 | Confident | 112 Ų | 112 | 113.2 Ų | 113.2 | 59% | 0.586 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -41 | 172.3 | -72.1 | 173 | 0 | 0 | 0 | 112 | E142 E143 R144 Y148 R149 G150 | E142-L146 HydrophobicContact CG-CD1 4.33Å; E142-L146 WeakPolarHBondContact O-CB 3.47Å; E142-L146 VanDerWaalsContact O-CG 3.31Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 2.77Å; E143-L146 PolarHBondContact O-N 3.05Å; R144-L146 VanDerWaalsContact C-N 3.35Å; L146-Y148 VanDerWaalsContact C-N 3.33Å; L146-Y148 PolarHBondContact O-N 2.81Å; L146-R149 PolarHBondContact O-N 3.16Å; L146-G150 PolarHBondContact O-N 2.69Å |
| 147 | R | 83.3 | Confident | 74.2 | Confident | 172 Ų | 172 | 111.3 Ų | 111.3 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.3 | -37.7 | 173.9 | -71.4 | 178.4 | -174.5 | -144.9 | 5.1 | 112 | E143 R144 G151 | E143-R147 WeakPolarHBondContact O-CG 3.47Å; E143-R147 PolarHBondContact O-N 3.49Å; E143-R147 IonicContact OE1-CZ 2.79Å; E143-R147 IonicContact OE1-NE 3.19Å; E143-R147 PolarHBondContact OE1-NE 3.45Å; E143-R147 IonicContact OE1-NH2 2.69Å; E143-R147 PolarHBondContact OE1-NH2 3.27Å; R144-R147 PolarHBondContact O-N 3.26Å; R147-G151 PolarHBondContact O-N 3.3Å |
| 148 | Y | 69.2 | Low | 71.9 | Confident | 214 Ų | 214 | 113.6 Ų | 113.6 | 84% | 0.839 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.6 | -36.9 | 176.9 | -119.7 | -90.8 | 0 | 0 | 0 | 112.7 | R144 D145 L146 | R144-Y148 PolarHBondContact O-N 2.9Å; D145-Y148 PolarHBondContact O-N 3.3Å; L146-Y148 VanDerWaalsContact C-N 3.33Å; L146-Y148 PolarHBondContact O-N 2.81Å |
| 149 | R | 66.2 | Low | 69.8 | Low | 228 Ų | 228 | 116.9 Ų | 116.9 | 86% | 0.86 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -81.7 | -26.4 | 179.7 | -168.2 | -176.9 | -89 | -104.2 | 5.4 | 113.1 | D145 L146 | D145-R149 VanDerWaalsContact O-CB 3.29Å; D145-R149 WeakPolarHBondContact O-CB 3.24Å; D145-R149 PolarHBondContact O-N 3.48Å; L146-R149 PolarHBondContact O-N 3.16Å |
| 150 | G | 60.3 | Low | 67.9 | Low | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -92 | -11.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L146 G152 | L146-G150 PolarHBondContact O-N 2.69Å; G150-G152 PolarHBondContact O-N 3.13Å |
| 151 | G | 54.6 | Low | 65.6 | Low | 62 Ų | 62 | 122.8 Ų | 122.8 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | trans | -94.3 | 26.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R147 G153 | R147-G151 PolarHBondContact O-N 3.3Å; G151-G153 PolarHBondContact O-N 3.37Å | ||
| 152 | G | 48.6 | Very low | 63.4 | Low | 80 Ų | 80 | 123.6 Ų | 123.6 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -96.5 | 72.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G150 | G150-G152 PolarHBondContact O-N 3.13Š| ||
| 153 | G | 46.3 | Very low | 60.8 | Low | 57 Ų | 57 | 124.1 Ų | 124.1 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | trans | 174.2 | 115.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G151 Q155 | G151-G153 PolarHBondContact O-N 3.37Å; G153-Q155 PolarHBondContact O-N 3.48Å | ||
| 154 | P | 48.8 | Very low | 59.1 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -75.6 | 107.2 | 168.2 | 29 | -26.6 | 0 | 0 | 0 | 108.9 | ||||
| 155 | Q | 45.6 | Very low | 57.3 | Low | 178 Ų | 178 | 126.1 Ų | 126.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 122.3 | 166.7 | -82.5 | -82.5 | -4.3 | 0 | 0 | 108.6 | G153 | G153-Q155 PolarHBondContact O-N 3.48Š|
| 156 | P | 53.1 | Low | 55.3 | Low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 145.4 | 177.6 | 29.8 | -31.6 | 0 | 0 | 0 | 110.5 | ||
| 157 | G | 52.2 | Low | 53.2 | Low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.7 | -165 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 158 | V | 47.6 | Very low | 51.1 | Low | 126 Ų | 126 | 123.7 Ų | 123.7 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -129.8 | 128.3 | 152.4 | -68.9 | 0 | 0 | 0 | 0 | 107.8 | S160 | V158-S160 PolarHBondContact O-N 3.12Š| ||
| 159 | P | 54.2 | Low | 50 | Low | 133 Ų | 133 | 119.4 Ų | 119.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -81.4 | 107.1 | 168.7 | 31 | -26.2 | 0 | 0 | 0 | 107.5 | ||||
| 160 | S | 55.3 | Low | 48.9 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -102.4 | 112.5 | 173.2 | -167.5 | 0 | 0 | 0 | 0 | 109.4 | V158 | V158-S160 PolarHBondContact O-N 3.12Š| ||
| 161 | E | 46.3 | Very low | 48.2 | Very low | 174 Ų | 174 | 114.8 Ų | 114.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -63.7 | 152.6 | 168.3 | -67.8 | 176.9 | 92.8 | 0 | 0 | 111.5 | ||||
| 162 | C | 47.8 | Very low | 47.7 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 42.2 | 105.7 | 160.9 | 69.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 163 | S | 38.7 | Very low | 47.8 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -150.2 | 103.9 | 132.6 | -88.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 164 | S | 56.1 | Low | 47.9 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -50.8 | 168.3 | 150.7 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 165 | H | 54.4 | Low | 47.5 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 86.6 | 76.7 | -176.3 | -48.9 | -101.7 | 0 | 0 | 0 | 114.1 | ||||
| 166 | S | 45.6 | Very low | 47.5 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -156.2 | 120.8 | 137.3 | -79.2 | 0 | 0 | 0 | 0 | 109.2 | S168 | S166-S168 PolarHBondContact O-N 3.34Š| ||
| 167 | A | 43.8 | Very low | 46.9 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -56.4 | 121.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | C169 | A167-C169 VanDerWaalsContact C-N 3.34Å; A167-C169 PolarHBondContact O-N 3.45Å | ||
| 168 | S | 38.1 | Very low | 46.2 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -69.5 | 93.7 | 162.7 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | S166 S170 | S166-S168 PolarHBondContact O-N 3.34Å; S168-S170 PolarHBondContact O-N 3.08Å; S168-S170 VanDerWaalsContact O-N 3.12Å; S168-S170 PolarHBondContact OG-OG 2.61Å | ||
| 169 | C | 46.2 | Very low | 45.9 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -81.5 | 77.3 | 164.6 | -71.2 | 0 | 0 | 0 | 0 | 108.4 | A167 | A167-C169 VanDerWaalsContact C-N 3.34Å; A167-C169 PolarHBondContact O-N 3.45Å | ||
| 170 | S | 42.7 | Very low | 44.8 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 60% | 0.601 | 77% | 0.77 | S | S | * | * | trans | -84.6 | 134 | 161.2 | -67.5 | 0 | 0 | 0 | 0 | 108.6 | S168 E172 | S168-S170 PolarHBondContact O-N 3.08Å; S168-S170 VanDerWaalsContact O-N 3.12Å; S168-S170 PolarHBondContact OG-OG 2.61Å; S170-E172 PolarHBondContact O-N 3.22Å | ||
| 171 | P | 46.1 | Very low | 44.1 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -70.7 | 102.7 | 170.5 | -1.9 | 16.2 | 0 | 0 | 0 | 108.4 | W173 | P171-W173 VanDerWaalsContact O-CD1 3.29Å; P171-W173 PolarHBondContact O-N 3.44Å | ||
| 172 | E | 44.1 | Very low | 43.8 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | -72.2 | 93.5 | 175.4 | -173.4 | 178.4 | 95.5 | 0 | 0 | 109.8 | S170 G174 S175 | S170-E172 PolarHBondContact O-N 3.22Å; E172-G174 PolarHBondContact O-N 2.83Å; E172-S175 WeakPolarHBondContact OE1-CB 3.33Å; E172-S175 PolarHBondContact OE1-OG 3.1Å | ||
| 173 | W | 50.5 | Low | 43.9 | Very low | 244 Ų | 244 | 125.7 Ų | 125.7 | 92% | 0.924 | 77% | 0.769 | S | S | * | * | trans | -87.6 | 70.4 | 154.7 | 48 | -76.6 | 0 | 0 | 0 | 107.4 | P171 | P171-W173 VanDerWaalsContact O-CD1 3.29Å; P171-W173 PolarHBondContact O-N 3.44Å | ||
| 174 | G | 49.3 | Very low | 44.1 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | -147.7 | -29.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | E172 | E172-G174 PolarHBondContact O-N 2.83Š| ||
| 175 | S | 39.4 | Very low | 43.2 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | -123.1 | 68.3 | -169.4 | -48.6 | 0 | 0 | 0 | 0 | 114.2 | E172 | E172-S175 WeakPolarHBondContact OE1-CB 3.33Å; E172-S175 PolarHBondContact OE1-OG 3.1Å | ||
| 176 | A | 45.7 | Very low | 42.8 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -132.3 | 52.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 177 | L | 40.8 | Very low | 42.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | -147.9 | 67.4 | 157.1 | -74.3 | -177.1 | 0 | 0 | 0 | 109.6 | ||||
| 178 | E | 37.1 | Very low | 42.7 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -104.7 | 93.8 | 159.4 | -81.1 | -78.2 | 143.7 | 0 | 0 | 107 | ||||
| 179 | F | 41.3 | Very low | 43.1 | Very low | 196 Ų | 196 | 132.5 Ų | 132.5 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -74.8 | 118.7 | 155 | -89.1 | -90.1 | 0 | 0 | 0 | 106.3 | ||||
| 180 | G | 32.1 | Very low | 43.2 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -56.5 | 135.3 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | N182 | G180-N182 PolarHBondContact O-N 3.29Š| ||
| 181 | A | 40 | Very low | 43.5 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -75.1 | 112.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 182 | N | 39.1 | Very low | 44.1 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -93.2 | 129.3 | 168.5 | -150.7 | -1.3 | 0 | 0 | 0 | 108.3 | G180 | G180-N182 PolarHBondContact O-N 3.29Š| ||
| 183 | P | 50 | Low | 44.7 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -92.5 | 117.8 | 176.4 | 33.2 | -25.6 | 0 | 0 | 0 | 109.6 | ||||
| 184 | G | 43.6 | Very low | 44.9 | Very low | 58 Ų | 58 | 122 Ų | 122 | 60% | 0.598 | 74% | 0.741 | S | S | * | * | trans | 129.3 | 89.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 185 | D | 36.3 | Very low | 45.4 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | -179 | 122.5 | 109.8 | -81.7 | -25.9 | 0 | 0 | 0 | 109.5 | |||||
| 186 | H | 46.1 | Very low | 46.5 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -64.8 | 151.2 | 169.7 | -99.6 | -107.9 | 0 | 0 | 0 | 110.7 | ||||
| 187 | L | 48.3 | Very low | 47.6 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 81% | 0.806 | 71% | 0.708 | S | S | * | * | trans | 86.7 | 100.6 | 163.6 | -57.5 | 161.9 | 0 | 0 | 0 | 116.5 | ||||
| 188 | L | 40.4 | Very low | 49.1 | Very low | 173 Ų | 173 | 119.6 Ų | 119.6 | 91% | 0.906 | 70% | 0.698 | S | S | * | * | -154.4 | 128.1 | 121.3 | -76.6 | -167.4 | 0 | 0 | 0 | 110.6 | |||||
| 189 | T | 45.4 | Very low | 50.7 | Low | 132 Ų | 132 | 118.3 Ų | 118.3 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 139.6 | -179.4 | -37.2 | 0 | 0 | 0 | 0 | 112.5 | D191 | T189-D191 PolarHBondContact O-N 3.33Š|
| 190 | A | 48.8 | Very low | 52.3 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55 | 120 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 191 | D | 49.6 | Very low | 54.1 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 122.2 | -179.5 | -166.4 | -29.5 | 0 | 0 | 0 | 109.4 | T189 T193 D194 | T189-D191 PolarHBondContact O-N 3.33Å; D191-T193 PolarHBondContact O-N 3.15Å; D191-T193 PolarHBondContact OD1-N 3.07Å; D191-T193 VanDerWaalsContact OD1-N 3.17Å; D191-T193 PolarHBondContact OD1-OG1 3.49Å; D191-T193 PolarHBondContact OD2-OG1 3.28Å; D191-D194 PolarHBondContact O-N 3.49Å |
| 192 | P | 57.4 | Low | 55.9 | Low | 107 Ų | 107 | 112.5 Ų | 112.5 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62 | -7.1 | 179.9 | 24.2 | -34.1 | 0 | 0 | 0 | 114.4 | ||
| 193 | T | 56.6 | Low | 57.6 | Low | 69 Ų | 69 | 108.7 Ų | 108.7 | 42% | 0.423 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.7 | -20.6 | 176.2 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | D191 H196 N197 | D191-T193 PolarHBondContact O-N 3.15Å; D191-T193 PolarHBondContact OD1-N 3.07Å; D191-T193 VanDerWaalsContact OD1-N 3.17Å; D191-T193 PolarHBondContact OD1-OG1 3.49Å; D191-T193 PolarHBondContact OD2-OG1 3.28Å; T193-H196 PolarHBondContact O-CE1 3.26Å; T193-H196 PolarHBondContact O-ND1 2.84Å; T193-N197 PolarHBondContact O-ND2 3.04Å |
| 194 | D | 56.4 | Low | 59.1 | Low | 116 Ų | 116 | 107.5 Ų | 107.5 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76 | -34.1 | 175.1 | -116.8 | -44.7 | 0 | 0 | 0 | 111.7 | D191 N197 L198 | D191-D194 PolarHBondContact O-N 3.49Å; D194-N197 PolarHBondContact O-N 3.31Å; D194-L198 WeakPolarHBondContact O-CG 3.5Å; D194-L198 PolarHBondContact O-N 3.43Å |
| 195 | A | 58.5 | Low | 60.7 | Low | 52 Ų | 52 | 108.9 Ų | 108.9 | 43% | 0.43 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.2 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | N197 L198 H199 | A195-N197 VanDerWaalsContact C-N 3.3Å; A195-N197 PolarHBondContact O-N 3.33Å; A195-L198 PolarHBondContact O-N 3.23Å; A195-H199 PolarHBondContact O-CD2 3.12Å; A195-H199 VanDerWaalsContact O-CD2 3.23Å; A195-H199 PolarHBondContact O-N 2.05Å; A195-H199 VanDerWaalsContact O-N 3.08Å |
| 196 | H | 63 | Low | 62.5 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 47% | 0.472 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.3 | -32.9 | 178.1 | 101.7 | -77.2 | 0 | 0 | 0 | 112.6 | T193 S200 | T193-H196 PolarHBondContact O-CE1 3.26Å; T193-H196 PolarHBondContact O-ND1 2.84Å; H196-S200 WeakPolarHBondContact O-CB 3.47Å; H196-S200 PolarHBondContact O-N 3.04Å; H196-S200 PolarHBondContact O-OG 2.96Å |
| 197 | N | 68.3 | Low | 63.6 | Low | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66 | -44.1 | 176.3 | -92.3 | -66.7 | 0 | 0 | 0 | 110.7 | T193 D194 A195 S200 L201 | T193-N197 PolarHBondContact O-ND2 3.04Å; D194-N197 PolarHBondContact O-N 3.31Å; A195-N197 VanDerWaalsContact C-N 3.3Å; A195-N197 PolarHBondContact O-N 3.33Å; N197-S200 PolarHBondContact O-N 3.4Å; N197-L201 WeakPolarHBondContact O-CG 3.47Å; N197-L201 PolarHBondContact O-N 2.76Å; N197-L201 VanDerWaalsContact O-N 3.12Å |
| 198 | L | 72.7 | Confident | 64.5 | Low | 110 Ų | 110 | 98.6 Ų | 98.6 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.1 | -41.5 | 178.8 | -66.3 | 173.6 | 0 | 0 | 0 | 112.1 | D194 A195 S200 L201 T202 | D194-L198 WeakPolarHBondContact O-CG 3.5Å; D194-L198 PolarHBondContact O-N 3.43Å; A195-L198 PolarHBondContact O-N 3.23Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-S200 PolarHBondContact O-N 2.78Å; L198-L201 PolarHBondContact O-N 3.03Å; L198-T202 PolarHBondContact O-N 3.05Å; L198-T202 VanDerWaalsContact O-N 3.12Å; L198-T202 PolarHBondContact O-OG1 3.33Å; L198-T202 VanDerWaalsContact O-OG1 3.06Å |
| 199 | H | 71 | Confident | 65.6 | Low | 142 Ų | 142 | 95.1 Ų | 95.1 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.6 | -34 | 175.2 | -80.2 | -68.8 | 0 | 0 | 0 | 113.3 | A195 T202 S203 | A195-H199 PolarHBondContact O-CD2 3.12Å; A195-H199 VanDerWaalsContact O-CD2 3.23Å; A195-H199 PolarHBondContact O-N 2.05Å; A195-H199 VanDerWaalsContact O-N 3.08Å; H199-T202 PolarHBondContact O-N 3.35Å; H199-S203 PolarHBondContact O-N 2.71Å; H199-S203 VanDerWaalsContact O-N 3.13Å |
| 200 | S | 74.1 | Confident | 66.3 | Low | 60 Ų | 60 | 94.5 Ų | 94.5 | 42% | 0.42 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -37.6 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | H196 N197 L198 I204 | H196-S200 WeakPolarHBondContact O-CB 3.47Å; H196-S200 PolarHBondContact O-N 3.04Å; H196-S200 PolarHBondContact O-OG 2.96Å; N197-S200 PolarHBondContact O-N 3.4Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-S200 PolarHBondContact O-N 2.78Å; S200-I204 WeakPolarHBondContact O-CD1 3.26Å; S200-I204 WeakPolarHBondContact O-CG1 3.23Å; S200-I204 PolarHBondContact O-N 3.36Å |
| 201 | L | 71.1 | Confident | 66.7 | Low | 107 Ų | 107 | 98.4 Ų | 98.4 | 56% | 0.56 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.1 | -38.1 | 176.1 | -66.8 | 175 | 0 | 0 | 0 | 112.3 | N197 L198 I204 V205 | N197-L201 WeakPolarHBondContact O-CG 3.47Å; N197-L201 PolarHBondContact O-N 2.76Å; N197-L201 VanDerWaalsContact O-N 3.12Å; L198-L201 PolarHBondContact O-N 3.03Å; L201-I204 PolarHBondContact O-N 3.17Å; L201-V205 WeakPolarHBondContact O-CG2 3.09Å; L201-V205 PolarHBondContact O-N 3Å |
| 202 | T | 77.2 | Confident | 67 | Low | 77 Ų | 77 | 100.7 Ų | 100.7 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.4 | -43 | 175.4 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | L198 H199 I204 V205 D206 | L198-T202 PolarHBondContact O-N 3.05Å; L198-T202 VanDerWaalsContact O-N 3.12Å; L198-T202 PolarHBondContact O-OG1 3.33Å; L198-T202 VanDerWaalsContact O-OG1 3.06Å; H199-T202 PolarHBondContact O-N 3.35Å; T202-I204 VanDerWaalsContact C-N 3.32Å; T202-I204 PolarHBondContact O-N 2.65Å; T202-V205 PolarHBondContact O-N 3.18Å; T202-D206 PolarHBondContact O-N 3.42Å |
| 203 | S | 75.8 | Confident | 66.9 | Low | 72 Ų | 72 | 101.9 Ų | 101.9 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.1 | -38.2 | 176.6 | -177.7 | 0 | 0 | 0 | 0 | 113.1 | H199 D206 S207 | H199-S203 PolarHBondContact O-N 2.71Å; H199-S203 VanDerWaalsContact O-N 3.13Å; S203-D206 PolarHBondContact O-N 3.3Å; S203-S207 WeakPolarHBondContact O-CB 3.42Å; S203-S207 PolarHBondContact O-N 3.34Å; S203-S207 PolarHBondContact O-OG 3.27Å |
| 204 | I | 79.8 | Confident | 66.8 | Low | 94 Ų | 94 | 103.8 Ų | 103.8 | 48% | 0.482 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.2 | -42.5 | 176.7 | -67.3 | 164.2 | 0 | 0 | 0 | 110.8 | S200 L201 T202 S207 I208 | S200-I204 WeakPolarHBondContact O-CD1 3.26Å; S200-I204 WeakPolarHBondContact O-CG1 3.23Å; S200-I204 PolarHBondContact O-N 3.36Å; L201-I204 PolarHBondContact O-N 3.17Å; T202-I204 VanDerWaalsContact C-N 3.32Å; T202-I204 PolarHBondContact O-N 2.65Å; I204-S207 PolarHBondContact O-N 3.14Å; I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 VanDerWaalsContact O-CD1 3.29Å; I204-I208 WeakPolarHBondContact O-CD1 3.11Å; I204-I208 WeakPolarHBondContact O-CG1 2.96Å; I204-I208 PolarHBondContact O-N 3.06Å |
| 205 | V | 78.9 | Confident | 66.3 | Low | 87 Ų | 87 | 105.1 Ų | 105.1 | 53% | 0.527 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.2 | -41.9 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L201 T202 S207 I208 T209 | L201-V205 WeakPolarHBondContact O-CG2 3.09Å; L201-V205 PolarHBondContact O-N 3Å; T202-V205 PolarHBondContact O-N 3.18Å; V205-S207 VanDerWaalsContact C-N 3.32Å; V205-S207 PolarHBondContact O-N 3.46Å; V205-I208 PolarHBondContact O-N 3.15Å; V205-T209 WeakPolarHBondContact O-CG2 3.47Å; V205-T209 PolarHBondContact O-N 2.95Å; V205-T209 PolarHBondContact O-OG1 3.15Å |
| 206 | D | 72.6 | Confident | 65.6 | Low | 94 Ų | 94 | 106.9 Ų | 106.9 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -37.7 | 175.7 | -72.3 | -23.1 | 0 | 0 | 0 | 111.6 | T202 S203 I208 T209 V210 | T202-D206 PolarHBondContact O-N 3.42Å; S203-D206 PolarHBondContact O-N 3.3Å; D206-I208 VanDerWaalsContact C-N 3.34Å; D206-I208 PolarHBondContact O-N 2.9Å; D206-T209 PolarHBondContact O-N 2.99Å; D206-T209 PolarHBondContact O-OG1 3.3Å; D206-V210 VanDerWaalsContact O-CG2 3.22Å; D206-V210 WeakPolarHBondContact O-CG2 3.43Å; D206-V210 PolarHBondContact O-N 2.99Å |
| 207 | S | 69.9 | Low | 64.6 | Low | 71 Ų | 71 | 111.6 Ų | 111.6 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.9 | -37.4 | 177.3 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | S203 I204 V205 | S203-S207 WeakPolarHBondContact O-CB 3.42Å; S203-S207 PolarHBondContact O-N 3.34Å; S203-S207 PolarHBondContact O-OG 3.27Å; I204-S207 PolarHBondContact O-N 3.14Å; V205-S207 VanDerWaalsContact C-N 3.32Å; V205-S207 PolarHBondContact O-N 3.46Å |
| 208 | I | 67 | Low | 63.7 | Low | 123 Ų | 123 | 113.4 Ų | 113.4 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.6 | -26.1 | -177.8 | -57.7 | 157.3 | 0 | 0 | 0 | 111.4 | I204 V205 D206 | I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 VanDerWaalsContact O-CD1 3.29Å; I204-I208 WeakPolarHBondContact O-CD1 3.11Å; I204-I208 WeakPolarHBondContact O-CG1 2.96Å; I204-I208 PolarHBondContact O-N 3.06Å; V205-I208 PolarHBondContact O-N 3.15Å; D206-I208 VanDerWaalsContact C-N 3.34Å; D206-I208 PolarHBondContact O-N 2.9Å |
| 209 | T | 64.5 | Low | 62.4 | Low | 101 Ų | 101 | 114.8 Ų | 114.8 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -86.2 | -13.4 | -177 | 55.2 | 0 | 0 | 0 | 0 | 114 | V205 D206 | V205-T209 WeakPolarHBondContact O-CG2 3.47Å; V205-T209 PolarHBondContact O-N 2.95Å; V205-T209 PolarHBondContact O-OG1 3.15Å; D206-T209 PolarHBondContact O-N 2.99Å; D206-T209 PolarHBondContact O-OG1 3.3Å |
| 210 | V | 59.9 | Low | 61.1 | Low | 118 Ų | 118 | 116.8 Ų | 116.8 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -101.7 | -19 | -176.2 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | D206 | D206-V210 VanDerWaalsContact O-CG2 3.22Å; D206-V210 WeakPolarHBondContact O-CG2 3.43Å; D206-V210 PolarHBondContact O-N 2.99Å |
| 211 | E | 57.1 | Low | 60 | Low | 178 Ų | 178 | 119.6 Ų | 119.6 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | trans | -108.7 | 65.8 | 176.7 | -68.3 | -166.3 | 134.9 | 0 | 0 | 112.8 | ||||
| 212 | D | 56 | Low | 58.7 | Low | 153 Ų | 153 | 123.2 Ų | 123.2 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -133.8 | 78 | 150.3 | -166.3 | 25.2 | 0 | 0 | 0 | 109.5 | ||||
| 213 | V | 55.4 | Low | 57.8 | Low | 131 Ų | 131 | 125.3 Ų | 125.3 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -159.7 | 122.6 | 153.5 | 133.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 214 | S | 53.7 | Low | 56.4 | Low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | 99.2 | 74.2 | 167.6 | -40.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 215 | V | 45.7 | Very low | 55.2 | Low | 144 Ų | 144 | 135.2 Ų | 135.2 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | trans | -121.8 | 101.6 | 137 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 216 | A | 44.2 | Very low | 54 | Low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 137.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 217 | F | 42.8 | Very low | 52.9 | Low | 202 Ų | 202 | 140.1 Ų | 140.1 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64 | 133.1 | 167.9 | -72.1 | -95.1 | 0 | 0 | 0 | 109.8 | ||
| 218 | P | 49.1 | Very low | 51.9 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 124.5 | 163.6 | 30.1 | -28.1 | 0 | 0 | 0 | 109.4 | ||
| 219 | D | 44.8 | Very low | 51 | Low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | trans | -75.4 | 109.3 | 170.5 | -173.4 | 52.8 | 0 | 0 | 0 | 108.9 | T221 | D219-T221 PolarHBondContact O-N 3.16Š| ||
| 220 | E | 44.2 | Very low | 50.1 | Low | 185 Ų | 185 | 148.5 Ų | 148.5 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -84.7 | 99.5 | 172.8 | -82.9 | -89.8 | 104 | 0 | 0 | 108.9 | ||||
| 221 | T | 51.3 | Low | 49.4 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 73% | 0.73 | 84% | 0.84 | S | S | * | * | trans | -82.9 | 115 | 171.5 | 28.1 | 0 | 0 | 0 | 0 | 110.2 | D219 | D219-T221 PolarHBondContact O-N 3.16Š| ||
| 222 | M | 42.8 | Very low | 48.8 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 90% | 0.901 | 84% | 0.841 | S | S | * | * | trans | -74.1 | 132.8 | 170 | -75.8 | -74.4 | -151.2 | 0 | 0 | 111.2 | ||||
| 223 | P | 57.7 | Low | 48.2 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 79% | 0.786 | 84% | 0.843 | S | S | * | * | trans | -88.3 | 147.8 | 165 | 33.5 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 224 | N | 46.8 | Very low | 47.5 | Very low | 237 Ų | 237 | 149.7 Ų | 149.7 | 100% | 1.267 | 85% | 0.847 | S | S | * | * | trans | -78.5 | 0 | 175 | -163 | 2.6 | 0 | 0 | 0 | 111 |
Retrieved 224 of 224 residues in 58.9 ms
(Link to these results)