| 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 | 43 | Very low | 48.1 | Very low | 227 Ų | 227 | 155.1 Ų | 155.1 | 100% | 1.118 | 79% | 0.788 | S | S | * | * | 0 | 134.1 | 0 | -61.7 | 167.4 | 76.9 | 0 | 0 | 109.1 | |||||
| 2 | P | 44.9 | Very low | 48.3 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -88 | 116.2 | 177.8 | 32.4 | -31.1 | 0 | 0 | 0 | 112 | ||||
| 3 | V | 47.5 | Very low | 48.8 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -82.6 | 120 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | F5 | V3-F5 HydrophobicContact CG1-CD2 4.1Å; V3-F5 HydrophobicContact CG1-CE2 3.77Å; V3-F5 HydrophobicContact CG1-CZ 4.43Å | ||
| 4 | R | 46.3 | Very low | 49.2 | Very low | 217 Ų | 217 | 152.6 Ų | 152.6 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | trans | -99.3 | 99.8 | -177.9 | -60.7 | 179 | 76.9 | -176.6 | 9.4 | 111.6 | K6 | R4-K6 PolarHBondContact O-N 3.38Š| ||
| 5 | F | 47.1 | Very low | 49.3 | Very low | 193 Ų | 193 | 154.7 Ų | 154.7 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -76.3 | 120.2 | 171.3 | -78.9 | -87.2 | 0 | 0 | 0 | 111.8 | V3 | V3-F5 HydrophobicContact CG1-CD2 4.1Å; V3-F5 HydrophobicContact CG1-CE2 3.77Å; V3-F5 HydrophobicContact CG1-CZ 4.43Å | ||
| 6 | K | 51.2 | Low | 49.4 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -107 | 76.8 | 169 | -82.1 | -175.6 | 173.7 | 177.6 | 0 | 110.8 | R4 I8 | R4-K6 PolarHBondContact O-N 3.38Å; K6-I8 PolarHBondContact O-N 3.48Å | ||
| 7 | G | 46.8 | Very low | 48.8 | Very low | 78 Ų | 78 | 151.5 Ų | 151.5 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -79.7 | 111 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | I | 49.3 | Very low | 49.2 | Very low | 150 Ų | 150 | 157.2 Ų | 157.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 116.2 | 173.3 | -50 | 173.9 | 0 | 0 | 0 | 108.2 | K6 | K6-I8 PolarHBondContact O-N 3.48Š| ||
| 9 | S | 52.5 | Low | 48.6 | Very low | 82 Ų | 82 | 156 Ų | 156 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | trans | -71.7 | 134.5 | -176.3 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | Y11 R12 | S9-Y11 PolarHBondContact O-N 3.47Å; S9-R12 PolarHBondContact O-N 3.21Å; S9-R12 VanDerWaalsContact O-N 3.08Å | ||
| 10 | E | 54 | Low | 48.4 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -25.2 | -179.8 | -65.1 | -169.7 | -157.8 | 0 | 0 | 113.8 | R12 S13 K14 | E10-R12 PolarHBondContact O-N 3.34Å; E10-R12 VanDerWaalsContact O-N 3.17Å; E10-S13 VanDerWaalsContact O-CB 3.3Å; E10-S13 WeakPolarHBondContact O-CB 3.3Å; E10-S13 PolarHBondContact O-N 3.11Å; E10-K14 IonicContact OE2-NZ 3.12Å; E10-K14 PolarHBondContact OE2-NZ 3.13Å |
| 11 | Y | 46.6 | Very low | 47.6 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | H | α-helix | trans | -53.8 | -34.6 | 177.8 | -157.1 | -96.8 | 0 | 0 | 0 | 112.3 | S9 S13 | S9-Y11 PolarHBondContact O-N 3.47Å; Y11-S13 VanDerWaalsContact C-N 3.32Å; Y11-S13 PolarHBondContact O-N 3.46Å |
| 12 | R | 51 | Low | 47.2 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -78 | -13.5 | 178.8 | -166.4 | 175.2 | 164.6 | -178.9 | -5 | 113.7 | S9 E10 | S9-R12 PolarHBondContact O-N 3.21Å; S9-R12 VanDerWaalsContact O-N 3.08Å; E10-R12 PolarHBondContact O-N 3.34Å; E10-R12 VanDerWaalsContact O-N 3.17Å |
| 13 | S | 54.2 | Low | 46.8 | Very low | 100 Ų | 100 | 157.9 Ų | 157.9 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -80.6 | -43.5 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 112.3 | E10 Y11 | E10-S13 VanDerWaalsContact O-CB 3.3Å; E10-S13 WeakPolarHBondContact O-CB 3.3Å; E10-S13 PolarHBondContact O-N 3.11Å; Y11-S13 VanDerWaalsContact C-N 3.32Å; Y11-S13 PolarHBondContact O-N 3.46Å |
| 14 | K | 54.1 | Low | 46.3 | Very low | 144 Ų | 144 | 157.2 Ų | 157.2 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -92.7 | -13.1 | -165.4 | -64.2 | 175.4 | -176.6 | 156.5 | 0 | 115 | E10 | E10-K14 IonicContact OE2-NZ 3.12Å; E10-K14 PolarHBondContact OE2-NZ 3.13Å |
| 15 | Y | 51.3 | Low | 45.8 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -131.3 | 87.7 | -178.5 | -68.7 | -76.5 | 0 | 0 | 0 | 113.8 | ||||
| 16 | K | 50.4 | Low | 45.2 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -123.7 | 104 | 147.7 | -77.6 | -155.7 | 168.5 | -160.9 | 0 | 109.2 | ||||
| 17 | G | 40.1 | Very low | 45.2 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 151.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T19 | G17-T19 PolarHBondContact O-N 3.18Š| ||
| 18 | R | 55.7 | Low | 44.8 | Very low | 255 Ų | 255 | 150 Ų | 150 | 96% | 0.962 | 75% | 0.753 | S | S | * | * | trans | -85.1 | 105.4 | 173.8 | -65.4 | -177.1 | -179.4 | -152.9 | 0.5 | 110.1 | ||||
| 19 | T | 37.8 | Very low | 44.7 | Very low | 134 Ų | 134 | 154.7 Ų | 154.7 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -116.5 | 107.8 | 155 | 41.4 | 0 | 0 | 0 | 0 | 106.9 | G17 | G17-T19 PolarHBondContact O-N 3.18Š| ||
| 20 | S | 43.3 | Very low | 44.5 | Very low | 106 Ų | 106 | 162.3 Ų | 162.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | 80.3 | 91.1 | 78.6 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 21 | R | 33.4 | Very low | 44.3 | Very low | 236 Ų | 236 | 161.6 Ų | 161.6 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -157.6 | 114.3 | 146.6 | -94.6 | 155.3 | -162.8 | -147.6 | 2 | 102.8 | ||||
| 22 | S | 34.1 | Very low | 44.5 | Very low | 108 Ų | 108 | 164 Ų | 164 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 50 | 77.1 | 52.4 | -158.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 23 | R | 35.9 | Very low | 44.9 | Very low | 251 Ų | 251 | 162.2 Ų | 162.2 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | trans | -87.1 | 101.4 | 160.7 | -87 | -176.7 | 161.1 | 178.2 | -6.5 | 107.3 | ||||
| 24 | S | 37.7 | Very low | 45 | Very low | 106 Ų | 106 | 161.1 Ų | 161.1 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 117.5 | 150.9 | 49.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 25 | D | 34.9 | Very low | 45.1 | Very low | 164 Ų | 164 | 158 Ų | 158 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -158.5 | 150 | 153.5 | -118 | -30.5 | 0 | 0 | 0 | 111 | ||||
| 26 | S | 34.9 | Very low | 45.4 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -164.9 | 162.6 | -168.6 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 27 | P | 50.6 | Low | 45.7 | Very low | 71 Ų | 71 | 152.2 Ų | 152.2 | 46% | 0.461 | 77% | 0.769 | S | S | . | * | cis | -137.5 | 48.7 | -40 | 36.4 | -19.3 | 0 | 0 | 0 | 113.3 | R29 M31 | P27-R29 PolarHBondContact O-N 2.75Å; P27-R29 VanDerWaalsContact O-N 3.14Å; P27-M31 HydrophobicContact CG-SD 4.15Å | ||
| 28 | H | 39.7 | Very low | 46.9 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 55.9 | -163.8 | -83.5 | 86.2 | 0 | 0 | 0 | 118.2 | ||
| 29 | R | 46.5 | Very low | 47.4 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 94% | 0.936 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.6 | 15.1 | 150.5 | -132 | 179.5 | -177.9 | -168.5 | -0.3 | 117.6 | P27 | P27-R29 PolarHBondContact O-N 2.75Å; P27-R29 VanDerWaalsContact O-N 3.14Å |
| 30 | R | 49 | Very low | 48.8 | Very low | 243 Ų | 243 | 144 Ų | 144 | 92% | 0.917 | 72% | 0.724 | S | S | * | * | trans | -138.6 | 52 | 176.2 | -62.7 | -167.2 | -164.9 | -173.6 | 5.9 | 113.6 | ||||
| 31 | M | 48.3 | Very low | 49.8 | Very low | 127 Ų | 127 | 142 Ų | 142 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | trans | -129.4 | 93.1 | 169.5 | -74.1 | 177.3 | 64.7 | 0 | 0 | 110.1 | P27 A34 | P27-M31 HydrophobicContact CG-SD 4.15Å; M31-A34 HydrophobicContact CE-CB 4.06Å | ||
| 32 | R | 51.8 | Low | 51.3 | Low | 239 Ų | 239 | 133.5 Ų | 133.5 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -129.3 | 4 | 163.5 | -81.7 | -165.4 | 173.1 | -168 | -2 | 113.4 | L36 | R32-L36 WeakPolarHBondContact O-CD1 3.35Š|
| 33 | L | 58.5 | Low | 52.8 | Low | 151 Ų | 151 | 133.4 Ų | 133.4 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -124.3 | -6.6 | -179.4 | -64.8 | 176.8 | 0 | 0 | 0 | 114.2 | L36 | L33-L36 HydrophobicContact CD2-CD1 4.18Š|
| 34 | A | 56.6 | Low | 54.1 | Low | 76 Ų | 76 | 128.1 Ų | 128.1 | 63% | 0.628 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 114.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M31 | M31-A34 HydrophobicContact CE-CB 4.06Š|
| 35 | G | 55.7 | Low | 55.3 | Low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.1 | -5.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 36 | L | 58.6 | Low | 57 | Low | 74 Ų | 74 | 131.1 Ų | 131.1 | 39% | 0.387 | 68% | 0.679 | S | S | . | * | trans | -67 | 143.7 | 162.1 | -69.8 | 101.9 | 0 | 0 | 0 | 109.4 | R32 L33 Q40 | R32-L36 WeakPolarHBondContact O-CD1 3.35Å; L33-L36 HydrophobicContact CD2-CD1 4.18Å; L36-Q40 HydrophobicContact CB-CB 4.15Å; L36-Q40 HydrophobicContact CD2-CB 3.74Å | ||
| 37 | R | 56.6 | Low | 58.5 | Low | 168 Ų | 168 | 131.5 Ų | 131.5 | 63% | 0.634 | 68% | 0.679 | S | S | * | * | trans | -74 | 160.3 | 172.1 | -73.3 | 161.8 | 51.8 | 129.1 | 1.7 | 109.5 | D39 Q40 S41 | R37-D39 VanDerWaalsContact C-N 3.25Å; R37-D39 WeakPolarHBondContact CB-OD1 2.92Å; R37-D39 IonicContact CZ-OD2 3.25Å; R37-D39 VanDerWaalsContact CZ-OD2 3.25Å; R37-D39 IonicContact NE-OD1 3.58Å; R37-D39 IonicContact NE-OD2 2.91Å; R37-D39 PolarHBondContact NE-OD2 3Å; R37-D39 IonicContact NH2-OD2 2.72Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 3.14Å; R37-Q40 PolarHBondContact O-N 2.68Å; R37-S41 PolarHBondContact O-N 2.96Å | ||
| 38 | S | 65.6 | Low | 58.9 | Low | 79 Ų | 79 | 136.9 Ų | 136.9 | 55% | 0.552 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -63.8 | -30.7 | -176.6 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | Q40 S41 I43 | S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 2.8Å; S38-S41 PolarHBondContact O-N 3.25Å; S38-S41 PolarHBondContact O-OG 3.28Å; S38-S41 VanDerWaalsContact O-OG 3.12Å; S38-I43 PolarHBondContact O-N 3.2Å |
| 39 | D | 66 | Low | 59.5 | Low | 90 Ų | 90 | 137.4 Ų | 137.4 | 48% | 0.481 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -56 | -37.7 | 170.2 | 46.7 | 31.6 | 0 | 0 | 0 | 112.6 | R37 | R37-D39 VanDerWaalsContact C-N 3.25Å; R37-D39 WeakPolarHBondContact CB-OD1 2.92Å; R37-D39 IonicContact CZ-OD2 3.25Å; R37-D39 VanDerWaalsContact CZ-OD2 3.25Å; R37-D39 IonicContact NE-OD1 3.58Å; R37-D39 IonicContact NE-OD2 2.91Å; R37-D39 PolarHBondContact NE-OD2 3Å; R37-D39 IonicContact NH2-OD2 2.72Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 3.14Å |
| 40 | Q | 66.8 | Low | 59.9 | Low | 123 Ų | 123 | 133.4 Ų | 133.4 | 58% | 0.575 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -86.8 | -10.1 | -180 | -67.4 | 166 | -13.8 | 0 | 0 | 114.6 | L36 R37 S38 | L36-Q40 HydrophobicContact CB-CB 4.15Å; L36-Q40 HydrophobicContact CD2-CB 3.74Å; R37-Q40 PolarHBondContact O-N 2.68Å; S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 2.8Å |
| 41 | S | 65.3 | Low | 60.2 | Low | 63 Ų | 63 | 127.1 Ų | 127.1 | 44% | 0.441 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -98.6 | 4.2 | 179.4 | 65.2 | 0 | 0 | 0 | 0 | 114 | R37 S38 I43 | R37-S41 PolarHBondContact O-N 2.96Å; S38-S41 PolarHBondContact O-N 3.25Å; S38-S41 PolarHBondContact O-OG 3.28Å; S38-S41 VanDerWaalsContact O-OG 3.12Å; S41-I43 PolarHBondContact O-N 3.4Å; S41-I43 WeakPolarHBondContact OG-CG1 3.29Å |
| 42 | G | 64.9 | Low | 60.8 | Low | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.3 | 4.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T44 | G42-T44 VanDerWaalsContact C-N 3.31Å; G42-T44 PolarHBondContact O-N 3.15Å |
| 43 | I | 64.2 | Low | 61.2 | Low | 105 Ų | 105 | 130.6 Ų | 130.6 | 54% | 0.538 | 70% | 0.698 | S | S | . | * | trans | -87.1 | 75.6 | -179.6 | -53.1 | 176.2 | 0 | 0 | 0 | 108.6 | S38 S41 Q45 | S38-I43 PolarHBondContact O-N 3.2Å; S41-I43 PolarHBondContact O-N 3.4Å; S41-I43 WeakPolarHBondContact OG-CG1 3.29Å; I43-Q45 PolarHBondContact O-N 3.01Å | ||
| 44 | T | 63.6 | Low | 61.2 | Low | 140 Ų | 140 | 134.9 Ų | 134.9 | 86% | 0.859 | 70% | 0.704 | S | S | * | * | trans | -75.9 | -7.7 | 179.5 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | G42 | G42-T44 VanDerWaalsContact C-N 3.31Å; G42-T44 PolarHBondContact O-N 3.15Å | ||
| 45 | Q | 63.8 | Low | 61.1 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -130.2 | 119.4 | -175.1 | -170.2 | 174.8 | 78.2 | 0 | 0 | 110.7 | I43 | I43-Q45 PolarHBondContact O-N 3.01Š|
| 46 | E | 70.1 | Confident | 61.4 | Low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | trans | -69.3 | 139.1 | 171.6 | -67.2 | -169.1 | 161 | 0 | 0 | 110.6 | Q48 | E46-Q48 PolarHBondContact O-N 3.16Å; E46-Q48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | P | 66.4 | Low | 61 | Low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | -65.3 | 116.8 | 174.9 | 27.2 | -33.4 | 0 | 0 | 0 | 109.6 | F49 | P47-F49 PolarHBondContact O-N 3.18Š| ||
| 48 | Q | 58.8 | Low | 61.2 | Low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | -61.3 | 110.9 | -175.6 | -68.6 | -165.9 | 2.7 | 0 | 0 | 111.3 | E46 I50 | E46-Q48 PolarHBondContact O-N 3.16Å; E46-Q48 VanDerWaalsContact O-N 3.15Å; Q48-I50 PolarHBondContact O-N 2.91Å | ||
| 49 | F | 53.2 | Low | 60.8 | Low | 198 Ų | 198 | 145.3 Ų | 145.3 | 87% | 0.868 | 73% | 0.729 | S | S | * | * | trans | -58 | 125.1 | 168.5 | -93.3 | -93.1 | 0 | 0 | 0 | 109.6 | P47 S51 | P47-F49 PolarHBondContact O-N 3.18Å; F49-S51 PolarHBondContact O-N 2.72Å | ||
| 50 | I | 54.5 | Low | 60.2 | Low | 164 Ų | 164 | 146.3 Ų | 146.3 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -58.5 | 100.6 | 172.3 | -56.3 | 172.2 | 0 | 0 | 0 | 107.7 | Q48 K52 | Q48-I50 PolarHBondContact O-N 2.91Å; I50-K52 PolarHBondContact O-N 3.37Å | ||
| 51 | S | 53.9 | Low | 60.2 | Low | 110 Ų | 110 | 149.5 Ų | 149.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -65.3 | 109.6 | -172 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | F49 R53 | F49-S51 PolarHBondContact O-N 2.72Å; S51-R53 PolarHBondContact O-N 3.12Å | ||
| 52 | K | 62.5 | Low | 60.2 | Low | 195 Ų | 195 | 151.2 Ų | 151.2 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -63.5 | 116.2 | 176.8 | -70.5 | -171.1 | 177.5 | -177.5 | 0 | 107.9 | I50 R54 | I50-K52 PolarHBondContact O-N 3.37Å; K52-R54 PolarHBondContact O-N 3.39Å; K52-R54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | R | 59.9 | Low | 60.1 | Low | 244 Ų | 244 | 151.4 Ų | 151.4 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -38.1 | 120.6 | 174.3 | -100.7 | 177.3 | 161.5 | 169.5 | -5.8 | 109.6 | S51 V55 | S51-R53 PolarHBondContact O-N 3.12Å; R53-V55 PolarHBondContact O-N 2.88Å; R53-V55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | R | 58.9 | Low | 59.9 | Low | 242 Ų | 242 | 150.8 Ų | 150.8 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 117 | 177.8 | -76.4 | -173.9 | 169.6 | -160.5 | -2.8 | 109.1 | K52 | K52-R54 PolarHBondContact O-N 3.39Å; K52-R54 VanDerWaalsContact O-N 3.15Å |
| 55 | V | 54.3 | Low | 60 | Low | 127 Ų | 127 | 148.4 Ų | 148.4 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 132.5 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | R53 F57 | R53-V55 PolarHBondContact O-N 2.88Å; R53-V55 VanDerWaalsContact O-N 3.09Å; V55-F57 PolarHBondContact O-N 3Å |
| 56 | P | 62.2 | Low | 59.5 | Low | 81 Ų | 81 | 147.6 Ų | 147.6 | 53% | 0.526 | 75% | 0.747 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 129.9 | 176.3 | 23.5 | -32.8 | 0 | 0 | 0 | 110.3 | Y58 | P56-Y58 HydrophobicContact CB-CE2 4.36Å; P56-Y58 HydrophobicContact CG-CE2 3.87Å; P56-Y58 WeakPolarHBondContact O-CD2 3.04Å; P56-Y58 PolarHBondContact O-N 2.77Å; P56-Y58 VanDerWaalsContact O-N 3.16Å |
| 57 | F | 49.8 | Very low | 58.8 | Low | 198 Ų | 198 | 148.6 Ų | 148.6 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | trans | -80.6 | 96.8 | -176.3 | -170.6 | -88.5 | 0 | 0 | 0 | 109.9 | V55 | V55-F57 PolarHBondContact O-N 3Š| ||
| 58 | Y | 60.4 | Low | 57.9 | Low | 190 Ų | 190 | 155.3 Ų | 155.3 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | -79.4 | 126.7 | 171.3 | -63.7 | -76.8 | 0 | 0 | 0 | 109.8 | P56 | P56-Y58 HydrophobicContact CB-CE2 4.36Å; P56-Y58 HydrophobicContact CG-CE2 3.87Å; P56-Y58 WeakPolarHBondContact O-CD2 3.04Å; P56-Y58 PolarHBondContact O-N 2.77Å; P56-Y58 VanDerWaalsContact O-N 3.16Å | ||
| 59 | P | 57.8 | Low | 57.5 | Low | 97 Ų | 97 | 154.8 Ų | 154.8 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | trans | -66.9 | 136.6 | 171.1 | 29 | -33.7 | 0 | 0 | 0 | 109.7 | Q61 | P59-Q61 PolarHBondContact O-N 2.91Š| ||
| 60 | S | 52.2 | Low | 57.1 | Low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -66.9 | 97.9 | -179.9 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | V62 | S60-V62 PolarHBondContact O-N 2.9Š| ||
| 61 | Q | 66.9 | Low | 56.3 | Low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -75.1 | 107 | 173.9 | -71.8 | -174.3 | -20 | 0 | 0 | 110.3 | P59 | P59-Q61 PolarHBondContact O-N 2.91Š| ||
| 62 | V | 65.7 | Low | 55.6 | Low | 99 Ų | 99 | 152.1 Ų | 152.1 | 60% | 0.6 | 74% | 0.74 | S | S | * | * | trans | -76.3 | 134.5 | 168.8 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | S60 F66 | S60-V62 PolarHBondContact O-N 2.9Å; V62-F66 HydrophobicContact CG1-CB 3.88Å | ||
| 63 | S | 63.2 | Low | 54.4 | Low | 62 Ų | 62 | 150.8 Ų | 150.8 | 43% | 0.434 | 74% | 0.736 | S | S | . | * | trans | -52.1 | 142.2 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | S65 F66 | S63-S65 WeakPolarHBondContact CB-OG 3.42Å; S63-S65 PolarHBondContact O-N 3.15Å; S63-S65 VanDerWaalsContact O-N 3.12Å; S63-S65 PolarHBondContact OG-N 2.93Å; S63-S65 PolarHBondContact OG-OG 2.98Å; S63-F66 PolarHBondContact O-N 3.21Å; S63-F66 VanDerWaalsContact O-N 3.08Å | ||
| 64 | S | 59.2 | Low | 53.5 | Low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -55.3 | -28.3 | 173.2 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | F66 R67 | S64-F66 PolarHBondContact O-N 3.37Å; S64-F66 VanDerWaalsContact O-N 3.1Å; S64-R67 PolarHBondContact O-N 3.39Å; S64-R67 VanDerWaalsContact O-N 3.16Å |
| 65 | S | 65.6 | Low | 52.5 | Low | 90 Ų | 90 | 142 Ų | 142 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -65.1 | -6.3 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 115.6 | S63 | S63-S65 WeakPolarHBondContact CB-OG 3.42Å; S63-S65 PolarHBondContact O-N 3.15Å; S63-S65 VanDerWaalsContact O-N 3.12Å; S63-S65 PolarHBondContact OG-N 2.93Å; S63-S65 PolarHBondContact OG-OG 2.98Å |
| 66 | F | 52.9 | Low | 51.5 | Low | 145 Ų | 145 | 145.1 Ų | 145.1 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -113.5 | 9.6 | 176.1 | -78.9 | -80.5 | 0 | 0 | 0 | 113.3 | V62 S63 S64 W68 | V62-F66 HydrophobicContact CG1-CB 3.88Å; S63-F66 PolarHBondContact O-N 3.21Å; S63-F66 VanDerWaalsContact O-N 3.08Å; S64-F66 PolarHBondContact O-N 3.37Å; S64-F66 VanDerWaalsContact O-N 3.1Å; F66-W68 PolarHBondContact O-N 3.04Å |
| 67 | R | 56.4 | Low | 50 | Low | 194 Ų | 194 | 149.8 Ų | 149.8 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -83.3 | 106.8 | 173.7 | -61.8 | -177.1 | -172.6 | -168.9 | 2.7 | 109.6 | S64 E69 | S64-R67 PolarHBondContact O-N 3.39Å; S64-R67 VanDerWaalsContact O-N 3.16Å; R67-E69 PolarHBondContact O-N 3.04Å | ||
| 68 | W | 48.2 | Very low | 49.3 | Very low | 248 Ų | 248 | 147 Ų | 147 | 94% | 0.939 | 74% | 0.742 | S | S | * | * | trans | -80.1 | 106.8 | 167.8 | -69.1 | 92.9 | 0 | 0 | 0 | 108.9 | F66 G70 | F66-W68 PolarHBondContact O-N 3.04Å; W68-G70 PolarHBondContact O-N 3.23Å | ||
| 69 | E | 50.6 | Low | 47.8 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -82 | 93.6 | 179.3 | -165.7 | 167.5 | -92.6 | 0 | 0 | 109.5 | R67 R71 | R67-E69 PolarHBondContact O-N 3.04Å; E69-R71 PolarHBondContact O-N 2.89Å | ||
| 70 | G | 42.9 | Very low | 46.6 | Very low | 63 Ų | 63 | 148.2 Ų | 148.2 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | -65.2 | 114.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | W68 D72 | W68-G70 PolarHBondContact O-N 3.23Å; G70-D72 PolarHBondContact O-N 2.85Å | ||
| 71 | R | 38.9 | Very low | 45.4 | Very low | 202 Ų | 202 | 147.6 Ų | 147.6 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | -86.7 | 76.3 | 175.1 | -72.9 | -169.3 | 176.7 | -166.7 | 0.5 | 111.4 | E69 H73 | E69-R71 PolarHBondContact O-N 2.89Å; R71-H73 PolarHBondContact O-N 3.41Å | ||
| 72 | D | 39.5 | Very low | 43.5 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -81.3 | 112.8 | 167.6 | -68.3 | -48.4 | 0 | 0 | 0 | 110 | G70 S74 | G70-D72 PolarHBondContact O-N 2.85Å; D72-S74 PolarHBondContact O-N 3.23Å | ||
| 73 | H | 37.9 | Very low | 41.7 | Very low | 167 Ų | 167 | 151 Ų | 151 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -91.6 | 83.5 | -177.8 | -80.8 | -81.1 | 0 | 0 | 0 | 112 | R71 | R71-H73 PolarHBondContact O-N 3.41Š| ||
| 74 | S | 38.9 | Very low | 40.4 | Very low | 104 Ų | 104 | 153.5 Ų | 153.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -163 | 89.9 | 165.7 | 45.9 | 0 | 0 | 0 | 0 | 114.9 | D72 | D72-S74 PolarHBondContact O-N 3.23Š| ||
| 75 | Q | 38 | Very low | 38.9 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | -179 | 104.5 | 128.8 | -101.2 | 172.8 | 9.7 | 0 | 0 | 111.1 | |||||
| 76 | Q | 34.7 | Very low | 37.3 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -82.9 | 132.7 | 147.3 | -70.1 | 176.5 | -26 | 0 | 0 | 106.8 | ||||
| 77 | Q | 31.1 | Very low | 36.4 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | 170.5 | 153.6 | 102.6 | -158.3 | 172.5 | -4.5 | 0 | 0 | 111.5 | |||||
| 78 | L | 33.5 | Very low | 36 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 84 | 98.4 | 150.1 | -143.5 | 67.8 | 0 | 0 | 0 | 120.2 | ||||
| 79 | E | 30.2 | Very low | 35.2 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 67.6 | 150 | 144.2 | -58.7 | -68.2 | 97.6 | 0 | 0 | 119.2 | ||||
| 80 | K | 31.1 | Very low | 34.5 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -141.7 | 154.9 | 1.4 | -154 | 162.2 | -171.9 | 82.1 | 0 | 112.6 | ||||
| 81 | S | 28.6 | Very low | 33.8 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -41.7 | 142.3 | -178.7 | 58 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 82 | R | 26.2 | Very low | 33.4 | Very low | 251 Ų | 251 | 143.5 Ų | 143.5 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | -151.9 | 111.1 | 124.9 | -156.2 | 170.9 | -169.2 | 164.9 | 3.6 | 111.8 | |||||
| 83 | S | 28.7 | Very low | 32.9 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 150.9 | 174.4 | 35.1 | 0 | 0 | 0 | 0 | 112 | ||
| 84 | P | 35.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 161 | 177 | 34.1 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 85 | A | 28.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 163.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 86 | V | 30.3 | Very low | 32.2 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | -126.1 | 119.8 | -154.3 | 170.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 87 | S | 35 | Very low | 32.1 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | trans | 64.7 | -174.8 | 154.8 | 84.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 88 | P | 48.4 | Very low | 32.1 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | -110.3 | 141.7 | 27.6 | 17.3 | 5.8 | 0 | 0 | 0 | 115.2 | ||||
| 89 | V | 31.2 | Very low | 32 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | 83.6 | 127.3 | 69.5 | 164.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 90 | L | 34.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | -143.6 | 141.1 | 50.6 | -83.9 | 170.4 | 0 | 0 | 0 | 112.2 | |||||
| 91 | R | 29.1 | Very low | 33.6 | Very low | 215 Ų | 215 | 133.5 Ų | 133.5 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | 90.8 | 94.9 | 73.2 | -172.7 | -178.6 | -77.7 | 172.2 | -5.1 | 113.8 | |||||
| 92 | A | 29.3 | Very low | 33.7 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | 90.9 | 163.3 | 91.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 93 | T | 30.3 | Very low | 34 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | cis | -153.6 | 171.6 | 32.2 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 94 | S | 32.6 | Very low | 34.8 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 61.9 | 126.7 | 161.2 | 38.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 95 | A | 36.6 | Very low | 34.7 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | cis | 89.3 | 143.1 | 49.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 96 | E | 30.1 | Very low | 34.9 | Very low | 136 Ų | 136 | 139 Ų | 139 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -172.4 | 162.3 | -4.7 | 156.5 | 175.6 | -149.8 | 0 | 0 | 111.3 | ||||
| 97 | R | 32.3 | Very low | 36.2 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | 63.7 | 139.4 | 171 | -73.3 | 155.7 | -147 | 176.5 | 15.5 | 116.1 | ||||
| 98 | Q | 32.1 | Very low | 36.7 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | cis | 76.4 | 116.6 | 34.4 | -67.1 | -162.4 | 3.4 | 0 | 0 | 116.8 | ||||
| 99 | V | 32.2 | Very low | 35.7 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | -174.7 | 159.6 | 128.2 | 143.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 100 | T | 33 | Very low | 35.7 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -97.5 | 175.8 | -167.2 | 17.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 101 | P | 60.9 | Low | 35.4 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -106.2 | 167.8 | -157 | 41.1 | -38.1 | 0 | 0 | 0 | 116.8 | ||||
| 102 | L | 31.3 | Very low | 35.5 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -142.3 | 165.1 | 156.3 | -85.7 | 178.4 | 0 | 0 | 0 | 111.1 | ||||
| 103 | A | 31 | Very low | 35.6 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -138.6 | -157.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 104 | P | 47.5 | Very low | 36 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -120.7 | 159.7 | -54 | 33.8 | -21.6 | 0 | 0 | 0 | 112.4 | |||||
| 105 | R | 32.5 | Very low | 35.9 | Very low | 251 Ų | 251 | 137 Ų | 137 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -149 | 156.6 | 156.5 | -82.7 | -154.4 | 164.6 | 127.8 | 1.2 | 112.7 | ||||
| 106 | D | 32.1 | Very low | 35.7 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -104.2 | 173.6 | -167.9 | -94.7 | -51.8 | 0 | 0 | 0 | 113.5 | ||||
| 107 | P | 57.9 | Low | 36.3 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | trans | -92.4 | -170.7 | -159.9 | 39 | -39 | 0 | 0 | 0 | 115.1 | ||||
| 108 | P | 46.3 | Very low | 36.5 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | -151.8 | 155.3 | 105.6 | 39.3 | -22 | 0 | 0 | 0 | 119.1 | |||||
| 109 | E | 27.2 | Very low | 36.4 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | 59.4 | 159 | 136 | -63.8 | -174.3 | 141.6 | 0 | 0 | 126.2 | ||||
| 110 | G | 30.6 | Very low | 36.3 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 113.6 | 96.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 111 | T | 29.5 | Very low | 36.1 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | 61.4 | 116.8 | 58 | -40.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 112 | T | 30.1 | Very low | 34.5 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | cis | -155.6 | 170.8 | 42.3 | -30 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 113 | A | 30.8 | Very low | 34.6 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -99 | -176.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 114 | P | 38.7 | Very low | 35.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | -141.9 | -148.2 | 9.1 | 45.6 | -24.5 | 0 | 0 | 0 | 114.9 | ||||
| 115 | S | 31.2 | Very low | 35.1 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | 107.3 | 159.4 | 168.4 | 77.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 116 | Q | 32.8 | Very low | 35.8 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -150.1 | -178.8 | -159 | -141.4 | -168.2 | -9.4 | 0 | 0 | 111.5 | ||||
| 117 | P | 42.5 | Very low | 36.1 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | -92.9 | 177.5 | -115.4 | 42.5 | -29.8 | 0 | 0 | 0 | 115.6 | |||||
| 118 | P | 37.1 | Very low | 35.3 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | -127.8 | -167.9 | 123.5 | 38.1 | -31.3 | 0 | 0 | 0 | 113.7 | |||||
| 119 | Q | 29.8 | Very low | 35.3 | Very low | 192 Ų | 192 | 128.1 Ų | 128.1 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -103.1 | 172.5 | -158.6 | -61.2 | -176.4 | -55.4 | 0 | 0 | 116.4 | ||||
| 120 | A | 30.1 | Very low | 36.3 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | 89.3 | 110.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 121 | E | 28.7 | Very low | 37.3 | Very low | 193 Ų | 193 | 124.6 Ų | 124.6 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | 79.8 | 144.6 | 137.3 | -62.1 | -171.1 | -172 | 0 | 0 | 123.3 | ||||
| 122 | A | 28 | Very low | 38.4 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | 55.2 | 76.1 | 156 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 123 | A | 33.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -159.7 | 140.6 | 133.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 124 | Q | 49.6 | Very low | 40.5 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -107.1 | 101.5 | 178.4 | -61.6 | 177.2 | 16.9 | 0 | 0 | 111.4 | ||||
| 125 | T | 37.7 | Very low | 41.4 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 86% | 0.859 | 72% | 0.723 | S | S | * | * | trans | 178.7 | 119.8 | 151.7 | 22.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 126 | S | 48.3 | Very low | 42.7 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | trans | 166.4 | -16 | 155.7 | 46.1 | 0 | 0 | 0 | 0 | 114.8 | F128 A129 | S126-F128 PolarHBondContact O-N 3.47Å; S126-A129 PolarHBondContact O-N 2.75Å; S126-A129 VanDerWaalsContact O-N 3.12Å | ||
| 127 | T | 38.9 | Very low | 44 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 59% | 0.589 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -55 | -26.7 | -171.5 | 46.3 | 0 | 0 | 0 | 0 | 115.8 | A129 Q131 | T127-A129 PolarHBondContact O-N 3.33Å; T127-Q131 WeakPolarHBondContact O-CG 3.45Å; T127-Q131 PolarHBondContact O-N 3.27Å |
| 128 | F | 41.1 | Very low | 44.9 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.7 | -29.1 | 178.7 | -69.1 | -73.7 | 0 | 0 | 0 | 114.6 | S126 K132 | S126-F128 PolarHBondContact O-N 3.47Å; F128-K132 PolarHBondContact O-N 3.35Å |
| 129 | A | 46.4 | Very low | 46.3 | Very low | 65 Ų | 65 | 118.5 Ų | 118.5 | 54% | 0.537 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.6 | -49.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S126 T127 Q131 K132 Q133 | S126-A129 PolarHBondContact O-N 2.75Å; S126-A129 VanDerWaalsContact O-N 3.12Å; T127-A129 PolarHBondContact O-N 3.33Å; A129-Q131 VanDerWaalsContact C-N 3.28Å; A129-Q131 PolarHBondContact O-N 3.39Å; A129-K132 PolarHBondContact O-N 3.4Å; A129-Q133 PolarHBondContact O-N 3.03Å |
| 130 | V | 47.1 | Very low | 48.1 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 47% | 0.467 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.5 | -33.1 | 179.2 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | K134 | V130-K134 HydrophobicContact CG1-CD 4.22Å; V130-K134 WeakPolarHBondContact O-CG 3.38Å; V130-K134 PolarHBondContact O-N 3.12Å; V130-K134 VanDerWaalsContact O-N 3.11Å |
| 131 | Q | 51.3 | Low | 49.9 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 51% | 0.514 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.3 | -42.2 | 175 | -73 | -178.2 | -0.2 | 0 | 0 | 112.5 | T127 A129 K134 Q135 | T127-Q131 WeakPolarHBondContact O-CG 3.45Å; T127-Q131 PolarHBondContact O-N 3.27Å; A129-Q131 VanDerWaalsContact C-N 3.28Å; A129-Q131 PolarHBondContact O-N 3.39Å; Q131-K134 PolarHBondContact O-N 3.37Å; Q131-Q135 WeakPolarHBondContact O-CG 3.45Å; Q131-Q135 PolarHBondContact O-N 3.18Å |
| 132 | K | 53.6 | Low | 51.8 | Low | 159 Ų | 159 | 109.2 Ų | 109.2 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.1 | -43.7 | 176 | -82.8 | -174.3 | 173.5 | -179.5 | 0 | 112.5 | F128 A129 Q135 A136 | F128-K132 PolarHBondContact O-N 3.35Å; A129-K132 PolarHBondContact O-N 3.4Å; K132-Q135 PolarHBondContact O-N 2.81Å; K132-A136 WeakPolarHBondContact O-CB 3.21Å; K132-A136 PolarHBondContact O-N 3.26Å |
| 133 | Q | 52.5 | Low | 54 | Low | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.5 | -43.6 | 174.8 | -84.1 | -178.4 | -33.4 | 0 | 0 | 112.3 | A129 Q135 A136 L137 | A129-Q133 PolarHBondContact O-N 3.03Å; Q133-Q135 PolarHBondContact O-N 2.86Å; Q133-A136 PolarHBondContact O-N 2.94Å; Q133-L137 WeakPolarHBondContact O-CG 3.31Å; Q133-L137 PolarHBondContact O-N 3.03Å |
| 134 | K | 52.8 | Low | 56.1 | Low | 134 Ų | 134 | 107.1 Ų | 107.1 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.3 | -38.1 | 177.1 | -73 | 178 | 179.2 | -178.5 | 0 | 112.6 | V130 Q131 N138 | V130-K134 HydrophobicContact CG1-CD 4.22Å; V130-K134 WeakPolarHBondContact O-CG 3.38Å; V130-K134 PolarHBondContact O-N 3.12Å; V130-K134 VanDerWaalsContact O-N 3.11Å; Q131-K134 PolarHBondContact O-N 3.37Å; K134-N138 WeakPolarHBondContact O-CB 3.41Å; K134-N138 PolarHBondContact O-N 3.16Å; K134-N138 PolarHBondContact O-ND2 3.11Å |
| 135 | Q | 57.5 | Low | 57.3 | Low | 138 Ų | 138 | 102.4 Ų | 102.4 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.1 | -42.5 | 173.7 | -74.4 | 179.3 | -9 | 0 | 0 | 112.4 | Q131 K132 Q133 N138 G139 | Q131-Q135 WeakPolarHBondContact O-CG 3.45Å; Q131-Q135 PolarHBondContact O-N 3.18Å; K132-Q135 PolarHBondContact O-N 2.81Å; Q133-Q135 PolarHBondContact O-N 2.86Å; Q135-N138 PolarHBondContact O-N 3.1Å; Q135-G139 PolarHBondContact O-N 3.12Å |
| 136 | A | 58.7 | Low | 58.8 | Low | 55 Ų | 55 | 101 Ų | 101 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K132 Q133 N138 G139 I140 | K132-A136 WeakPolarHBondContact O-CB 3.21Å; K132-A136 PolarHBondContact O-N 3.26Å; Q133-A136 PolarHBondContact O-N 2.94Å; A136-N138 VanDerWaalsContact C-N 3.33Å; A136-N138 PolarHBondContact O-N 3.28Å; A136-G139 PolarHBondContact O-N 2.93Å; A136-G139 VanDerWaalsContact O-N 3.16Å; A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 3.08Å |
| 137 | L | 58.6 | Low | 60.2 | Low | 102 Ų | 102 | 105.8 Ų | 105.8 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.6 | -70.6 | 169.5 | 0 | 0 | 0 | 112.3 | Q133 I140 N141 | Q133-L137 WeakPolarHBondContact O-CG 3.31Å; Q133-L137 PolarHBondContact O-N 3.03Å; L137-I140 PolarHBondContact O-N 2.92Å; L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 3.19Å; L137-N141 PolarHBondContact O-ND2 3.4Å |
| 138 | N | 61.8 | Low | 61.7 | Low | 115 Ų | 115 | 104.4 Ų | 104.4 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 173.9 | -73.6 | -11.8 | 0 | 0 | 0 | 112.1 | K134 Q135 A136 N141 H142 | K134-N138 WeakPolarHBondContact O-CB 3.41Å; K134-N138 PolarHBondContact O-N 3.16Å; K134-N138 PolarHBondContact O-ND2 3.11Å; Q135-N138 PolarHBondContact O-N 3.1Å; A136-N138 VanDerWaalsContact C-N 3.33Å; A136-N138 PolarHBondContact O-N 3.28Å; N138-N141 PolarHBondContact O-N 2.89Å; N138-H142 WeakPolarHBondContact O-CB 3.34Å; N138-H142 PolarHBondContact O-N 2.94Å |
| 139 | G | 65.6 | Low | 63.1 | Low | 41 Ų | 41 | 100 Ų | 100 | 42% | 0.423 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q135 A136 H142 A143 | Q135-G139 PolarHBondContact O-N 3.12Å; A136-G139 PolarHBondContact O-N 2.93Å; A136-G139 VanDerWaalsContact O-N 3.16Å; G139-H142 WeakPolarHBondContact O-CB 3.31Å; G139-H142 PolarHBondContact O-N 2.99Å; G139-A143 PolarHBondContact O-N 3.49Å |
| 140 | I | 67.8 | Low | 64.4 | Low | 95 Ų | 95 | 102.1 Ų | 102.1 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.2 | -67.4 | 162.5 | 0 | 0 | 0 | 110.3 | A136 L137 H142 A143 L144 | A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 3.08Å; L137-I140 PolarHBondContact O-N 2.92Å; I140-H142 VanDerWaalsContact C-N 3.29Å; I140-H142 PolarHBondContact O-N 3.26Å; I140-A143 PolarHBondContact O-N 2.92Å; I140-A143 VanDerWaalsContact O-N 3.16Å; I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 HydrophobicContact CG2-CG 4.4Å; I140-L144 WeakPolarHBondContact O-CG 3.39Å; I140-L144 PolarHBondContact O-N 3.35Å |
| 141 | N | 67.8 | Low | 65 | Low | 91 Ų | 91 | 109.3 Ų | 109.3 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -34.9 | 175.9 | -81.2 | -70.1 | 0 | 0 | 0 | 112.6 | L137 N138 R145 | L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 3.19Å; L137-N141 PolarHBondContact O-ND2 3.4Å; N138-N141 PolarHBondContact O-N 2.89Å; N141-R145 WeakPolarHBondContact O-CB 3.47Å; N141-R145 PolarHBondContact O-N 3.39Å |
| 142 | H | 69.6 | Low | 65.4 | Low | 89 Ų | 89 | 106.4 Ų | 106.4 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -47.6 | 171.6 | -179.9 | -79.5 | 0 | 0 | 0 | 111.8 | N138 G139 I140 R145 M146 S152 | N138-H142 WeakPolarHBondContact O-CB 3.34Å; N138-H142 PolarHBondContact O-N 2.94Å; G139-H142 WeakPolarHBondContact O-CB 3.31Å; G139-H142 PolarHBondContact O-N 2.99Å; I140-H142 VanDerWaalsContact C-N 3.29Å; I140-H142 PolarHBondContact O-N 3.26Å; H142-R145 PolarHBondContact O-N 3.31Å; H142-M146 WeakPolarHBondContact O-CG 3.36Å; H142-M146 PolarHBondContact O-N 3.3Å; H142-S152 WeakPolarHBondContact CD2-CB 3.49Å; H142-S152 VanDerWaalsContact NE2-CB 3.3Å; H142-S152 WeakPolarHBondContact NE2-CB 3.38Å; H142-S152 PolarHBondContact NE2-OG 2.88Å; H142-S152 VanDerWaalsContact NE2-OG 3.09Å |
| 143 | A | 74.8 | Confident | 65.6 | Low | 56 Ų | 56 | 106.4 Ų | 106.4 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.5 | -41.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G139 I140 M146 K147 | G139-A143 PolarHBondContact O-N 3.49Å; I140-A143 PolarHBondContact O-N 2.92Å; I140-A143 VanDerWaalsContact O-N 3.16Å; A143-M146 PolarHBondContact O-N 3.22Å; A143-K147 PolarHBondContact O-N 3.46Å |
| 144 | L | 76.5 | Confident | 65.4 | Low | 104 Ų | 104 | 108.2 Ų | 108.2 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -43.4 | 174.3 | -69.1 | 173.1 | 0 | 0 | 0 | 111.5 | I140 M146 K147 A148 | I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 HydrophobicContact CG2-CG 4.4Å; I140-L144 WeakPolarHBondContact O-CG 3.39Å; I140-L144 PolarHBondContact O-N 3.35Å; L144-M146 VanDerWaalsContact C-N 3.35Å; L144-M146 PolarHBondContact O-N 3.14Å; L144-K147 PolarHBondContact O-N 3.41Å; L144-A148 WeakPolarHBondContact O-CB 3.38Å; L144-A148 PolarHBondContact O-N 3.06Å |
| 145 | R | 74 | Confident | 65 | Low | 92 Ų | 92 | 108.7 Ų | 108.7 | 35% | 0.347 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -42.2 | 177 | -165.6 | -171 | -61.9 | -155.8 | -0.6 | 112 | N141 H142 A148 G149 L150 R151 | N141-R145 WeakPolarHBondContact O-CB 3.47Å; N141-R145 PolarHBondContact O-N 3.39Å; H142-R145 PolarHBondContact O-N 3.31Å; R145-A148 CarbonylContact O-C 3.48Å; R145-A148 PolarHBondContact O-N 3.34Å; R145-G149 PolarHBondContact O-N 2.8Å; R145-L150 HydrophobicContact CG-CB 3.45Å; R145-L150 VanDerWaalsContact CG-CB 3.45Å; R145-L150 PolarHBondContact O-N 3.27Å; R145-R151 WeakPolarHBondContact CD-O 3.34Å; R145-R151 PolarHBondContact NH1-O 3.35Å |
| 146 | M | 71.1 | Confident | 64.6 | Low | 111 Ų | 111 | 114.2 Ų | 114.2 | 55% | 0.547 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.9 | -41.6 | 174.2 | -71.9 | -67.7 | -67.6 | 0 | 0 | 112.4 | H142 A143 L144 A148 G149 | H142-M146 WeakPolarHBondContact O-CG 3.36Å; H142-M146 PolarHBondContact O-N 3.3Å; A143-M146 PolarHBondContact O-N 3.22Å; L144-M146 VanDerWaalsContact C-N 3.35Å; L144-M146 PolarHBondContact O-N 3.14Å; M146-A148 VanDerWaalsContact C-N 3.28Å; M146-A148 PolarHBondContact O-N 2.83Å; M146-G149 PolarHBondContact O-N 2.88Å; M146-G149 VanDerWaalsContact O-N 3.12Å |
| 147 | K | 77 | Confident | 63.9 | Low | 194 Ų | 194 | 117.9 Ų | 117.9 | 84% | 0.843 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.7 | -31.4 | 172.8 | -85.8 | -169.1 | 170.9 | -173.3 | 0 | 113 | A143 L144 G149 | A143-K147 PolarHBondContact O-N 3.46Å; L144-K147 PolarHBondContact O-N 3.41Å; K147-G149 PolarHBondContact O-N 3.25Å |
| 148 | A | 71.3 | Confident | 63.5 | Low | 68 Ų | 68 | 115.6 Ų | 115.6 | 56% | 0.562 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 4.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | L144 R145 M146 L150 | L144-A148 WeakPolarHBondContact O-CB 3.38Å; L144-A148 PolarHBondContact O-N 3.06Å; R145-A148 CarbonylContact O-C 3.48Å; R145-A148 PolarHBondContact O-N 3.34Å; M146-A148 VanDerWaalsContact C-N 3.28Å; M146-A148 PolarHBondContact O-N 2.83Å; A148-L150 HydrophobicContact CB-CD1 4.27Å; A148-L150 HydrophobicContact CB-CG 4.37Å; A148-L150 PolarHBondContact O-N 3.46Å; A148-L150 VanDerWaalsContact O-N 3.16Å |
| 149 | G | 70.2 | Confident | 63 | Low | 67 Ų | 67 | 117 Ų | 117 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.5 | 3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | R145 M146 K147 | R145-G149 PolarHBondContact O-N 2.8Å; M146-G149 PolarHBondContact O-N 2.88Å; M146-G149 VanDerWaalsContact O-N 3.12Å; K147-G149 PolarHBondContact O-N 3.25Å |
| 150 | L | 73.8 | Confident | 62.6 | Low | 110 Ų | 110 | 123 Ų | 123 | 58% | 0.576 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 143.3 | -177.9 | -69.6 | 172.6 | 0 | 0 | 0 | 110.7 | R145 A148 | R145-L150 HydrophobicContact CG-CB 3.45Å; R145-L150 VanDerWaalsContact CG-CB 3.45Å; R145-L150 PolarHBondContact O-N 3.27Å; A148-L150 HydrophobicContact CB-CD1 4.27Å; A148-L150 HydrophobicContact CB-CG 4.37Å; A148-L150 PolarHBondContact O-N 3.46Å; A148-L150 VanDerWaalsContact O-N 3.16Å |
| 151 | R | 59.1 | Low | 62.9 | Low | 227 Ų | 227 | 121 Ų | 121 | 86% | 0.857 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 130.5 | -178.4 | -76 | -79.1 | 159.9 | 167.6 | -6.9 | 111.4 | R145 | R145-R151 WeakPolarHBondContact CD-O 3.34Å; R145-R151 PolarHBondContact NH1-O 3.35Å |
| 152 | S | 59.6 | Low | 62.6 | Low | 49 Ų | 49 | 122.1 Ų | 122.1 | 34% | 0.343 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 131 | 169.7 | 45 | 0 | 0 | 0 | 0 | 110.8 | H142 H154 | H142-S152 WeakPolarHBondContact CD2-CB 3.49Å; H142-S152 VanDerWaalsContact NE2-CB 3.3Å; H142-S152 WeakPolarHBondContact NE2-CB 3.38Å; H142-S152 PolarHBondContact NE2-OG 2.88Å; H142-S152 VanDerWaalsContact NE2-OG 3.09Å; S152-H154 PolarHBondContact O-N 3.11Å |
| 153 | E | 57.5 | Low | 62.3 | Low | 160 Ų | 160 | 126 Ų | 126 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | trans | -100.7 | 87.8 | -175.2 | -176.3 | 169.3 | -156.3 | 0 | 0 | 109.1 | ||||
| 154 | H | 47.6 | Very low | 61.7 | Low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.806 | 64% | 0.643 | S | S | * | * | trans | -148.6 | 132.4 | 166.8 | -110.7 | 56.7 | 0 | 0 | 0 | 110.9 | S152 | S152-H154 PolarHBondContact O-N 3.11Š| ||
| 155 | Q | 46.2 | Very low | 61.2 | Low | 144 Ų | 144 | 131.6 Ų | 131.6 | 67% | 0.673 | 65% | 0.647 | S | S | * | * | trans | 38.1 | 110.3 | 158.7 | -62.4 | -61.3 | -10.4 | 0 | 0 | 119 | N157 | Q155-N157 PolarHBondContact O-N 3.44Š| ||
| 156 | R | 48.7 | Very low | 61 | Low | 255 Ų | 255 | 133.1 Ų | 133.1 | 96% | 0.962 | 66% | 0.658 | S | S | * | * | trans | -73.5 | 61.9 | 162.5 | -66.4 | -177.6 | -177.8 | 162.8 | 1.3 | 111.1 | ||||
| 157 | N | 44 | Very low | 60.5 | Low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | trans | -64.1 | 139.2 | 171.4 | -73.9 | -8.4 | 0 | 0 | 0 | 109.6 | Q155 | Q155-N157 PolarHBondContact O-N 3.44Š| ||
| 158 | G | 49.9 | Very low | 59.6 | Low | 54 Ų | 54 | 131.6 Ų | 131.6 | 56% | 0.557 | 65% | 0.652 | S | S | * | * | trans | -59.9 | 146.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N160 | G158-N160 PolarHBondContact O-N 2.87Å; G158-N160 VanDerWaalsContact O-N 3.09Å | ||
| 159 | L | 51.5 | Low | 58.5 | Low | 146 Ų | 146 | 139.7 Ų | 139.7 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | trans | -67.8 | 104.7 | 172.6 | -67.3 | 168.3 | 0 | 0 | 0 | 109.4 | S161 Q164 | L159-S161 PolarHBondContact O-N 3.02Å; L159-Q164 PolarHBondContact O-OE1 2.71Å | ||
| 160 | N | 57.5 | Low | 57.8 | Low | 166 Ų | 166 | 145.7 Ų | 145.7 | 89% | 0.888 | 68% | 0.676 | S | S | * | * | trans | -73.5 | 58.7 | -178.5 | -70.1 | -30.8 | 0 | 0 | 0 | 112.8 | G158 | G158-N160 PolarHBondContact O-N 2.87Å; G158-N160 VanDerWaalsContact O-N 3.09Å | ||
| 161 | S | 73.3 | Confident | 57.2 | Low | 53 Ų | 53 | 145.6 Ų | 145.6 | 37% | 0.371 | 68% | 0.68 | S | S | . | * | trans | -79.6 | 138.9 | 172.7 | 72.3 | 0 | 0 | 0 | 0 | 111 | L159 Y163 Q164 R165 | L159-S161 PolarHBondContact O-N 3.02Å; S161-Y163 PolarHBondContact O-N 2.93Å; S161-Q164 PolarHBondContact O-N 3.21Å; S161-Q164 VanDerWaalsContact O-N 3.1Å; S161-Q164 VanDerWaalsContact OG-CB 3.23Å; S161-Q164 WeakPolarHBondContact OG-CB 3.49Å; S161-Q164 PolarHBondContact OG-N 3.31Å; S161-R165 PolarHBondContact O-N 3.22Å | ||
| 162 | E | 61.9 | Low | 57.1 | Low | 114 Ų | 114 | 140.7 Ų | 140.7 | 53% | 0.533 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -63.1 | -32.7 | 177.6 | 179.5 | 149.4 | -122.2 | 0 | 0 | 112.3 | Q164 R165 Q166 | E162-Q164 PolarHBondContact O-N 3.12Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 2.81Å; E162-R165 IonicContact OE1-CZ 2.6Å; E162-R165 IonicContact OE1-NH1 2.65Å; E162-R165 PolarHBondContact OE1-NH1 3.16Å; E162-R165 IonicContact OE1-NH2 3.16Å; E162-Q166 HydrophobicContact CG-CG 4.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.26Å |
| 163 | Y | 63 | Low | 56.6 | Low | 170 Ų | 170 | 144.1 Ų | 144.1 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -58.1 | -37.3 | 173.6 | -138.9 | -89.1 | 0 | 0 | 0 | 112.3 | S161 Q166 F167 | S161-Y163 PolarHBondContact O-N 2.93Å; Y163-Q166 PolarHBondContact O-N 3.33Å; Y163-F167 HydrophobicContact CD1-CD2 4.05Å; Y163-F167 AromaticContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CE2 4.24Å; Y163-F167 PolarHBondContact O-N 2.97Å |
| 164 | Q | 61.9 | Low | 56.6 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 53% | 0.528 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -77.1 | -22.8 | 177.3 | -174.5 | 170.4 | -14 | 0 | 0 | 113.1 | L159 S161 E162 M168 | L159-Q164 PolarHBondContact O-OE1 2.71Å; S161-Q164 PolarHBondContact O-N 3.21Å; S161-Q164 VanDerWaalsContact O-N 3.1Å; S161-Q164 VanDerWaalsContact OG-CB 3.23Å; S161-Q164 WeakPolarHBondContact OG-CB 3.49Å; S161-Q164 PolarHBondContact OG-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.12Å; Q164-M168 VanDerWaalsContact O-CG 3.24Å; Q164-M168 WeakPolarHBondContact O-CG 3.42Å |
| 165 | R | 66.6 | Low | 57.4 | Low | 165 Ų | 165 | 137.5 Ų | 137.5 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.3 | -39.5 | 167.1 | -73.2 | 170.1 | 50.4 | -123.8 | -7.6 | 111.9 | S161 E162 | S161-R165 PolarHBondContact O-N 3.22Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 2.81Å; E162-R165 IonicContact OE1-CZ 2.6Å; E162-R165 IonicContact OE1-NH1 2.65Å; E162-R165 PolarHBondContact OE1-NH1 3.16Å; E162-R165 IonicContact OE1-NH2 3.16Å |
| 166 | Q | 69.7 | Low | 58.5 | Low | 125 Ų | 125 | 133.1 Ų | 133.1 | 58% | 0.584 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.8 | -38.1 | -177.6 | -70.6 | 174.9 | -19.2 | 0 | 0 | 112.6 | E162 Y163 | E162-Q166 HydrophobicContact CG-CG 4.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.26Å; Y163-Q166 PolarHBondContact O-N 3.33Å |
| 167 | F | 60.8 | Low | 59.9 | Low | 127 Ų | 127 | 126.4 Ų | 126.4 | 56% | 0.557 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 56.9 | 179.6 | -66.1 | -83 | 0 | 0 | 0 | 111.6 | Y163 W169 | Y163-F167 HydrophobicContact CD1-CD2 4.05Å; Y163-F167 AromaticContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CD2 3.92Å; Y163-F167 HydrophobicContact CE1-CE2 4.24Å; Y163-F167 PolarHBondContact O-N 2.97Å; F167-W169 PolarHBondContact O-N 3.09Å |
| 168 | M | 58.3 | Low | 61.3 | Low | 145 Ų | 145 | 127.1 Ų | 127.1 | 71% | 0.714 | 66% | 0.658 | S | S | * | * | trans | -64.1 | 104.6 | 168.9 | -71.2 | -177.3 | 67.9 | 0 | 0 | 110.2 | Q164 K170 | Q164-M168 VanDerWaalsContact O-CG 3.24Å; Q164-M168 WeakPolarHBondContact O-CG 3.42Å; M168-K170 PolarHBondContact O-N 3.15Å | ||
| 169 | W | 47.3 | Very low | 62.5 | Low | 238 Ų | 238 | 128.5 Ų | 128.5 | 90% | 0.902 | 65% | 0.652 | S | S | * | * | trans | -61.8 | 127.6 | 162.6 | -71.2 | 65.7 | 0 | 0 | 0 | 107.5 | F167 T171 | F167-W169 PolarHBondContact O-N 3.09Å; W169-T171 PolarHBondContact O-N 2.81Å | ||
| 170 | K | 55.3 | Low | 63.8 | Low | 193 Ų | 193 | 123.4 Ų | 123.4 | 84% | 0.839 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -61.5 | 111.7 | -162.2 | -67.2 | -178.3 | 178.9 | -178.4 | 0 | 111.9 | M168 | M168-K170 PolarHBondContact O-N 3.15Š|
| 171 | T | 60.6 | Low | 64.7 | Low | 109 Ų | 109 | 117.7 Ų | 117.7 | 67% | 0.669 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 60.4 | 153.4 | 175.1 | 51.7 | 0 | 0 | 0 | 0 | 115.8 | W169 V173 | W169-T171 PolarHBondContact O-N 2.81Å; T171-V173 PolarHBondContact O-N 2.99Å |
| 172 | P | 57.1 | Low | 64.8 | Low | 124 Ų | 124 | 120.5 Ų | 120.5 | 81% | 0.805 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -58.2 | 120.5 | 149.3 | 28.5 | -31.7 | 0 | 0 | 0 | 106.5 | A174 | P172-A174 PolarHBondContact O-N 3.45Š|
| 173 | V | 50.1 | Low | 65.7 | Low | 120 Ų | 120 | 120.3 Ų | 120.3 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | trans | -57.1 | 113.4 | 178.8 | 173.4 | 0 | 0 | 0 | 0 | 107.5 | T171 E175 | T171-V173 PolarHBondContact O-N 2.99Å; V173-E175 PolarHBondContact O-N 3.15Å | ||
| 174 | A | 57.9 | Low | 66.4 | Low | 86 Ų | 86 | 118 Ų | 118 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 127.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | P172 S176 | P172-A174 PolarHBondContact O-N 3.45Å; A174-S176 PolarHBondContact O-N 2.81Å |
| 175 | E | 63.8 | Low | 66.9 | Low | 110 Ų | 110 | 117.1 Ų | 117.1 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -46.7 | 119.7 | -166.3 | -67.9 | -169.2 | -179.7 | 0 | 0 | 109.7 | V173 L179 Q183 | V173-E175 PolarHBondContact O-N 3.15Å; E175-L179 HydrophobicContact CB-CD2 4.09Å; E175-L179 HydrophobicContact CB-CG 4.4Å; E175-L179 HydrophobicContact CG-CD2 4.16Å; E175-Q183 PolarHBondContact OE2-NE2 3.11Å |
| 176 | S | 70.4 | Confident | 67.1 | Low | 52 Ų | 52 | 112.2 Ų | 112.2 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 148.5 | -164.6 | 68.9 | 0 | 0 | 0 | 0 | 109.9 | A174 L178 L179 A180 | A174-S176 PolarHBondContact O-N 2.81Å; S176-L178 CarbonylContact O-C 3.52Å; S176-L178 PolarHBondContact O-N 3.49Å; S176-L179 WeakPolarHBondContact O-CA 3.34Å; S176-L179 WeakPolarHBondContact O-CB 3.48Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact OG-N 3.08Å; S176-A180 PolarHBondContact O-N 3.15Å |
| 177 | P | 76.6 | Confident | 67.3 | Low | 113 Ų | 113 | 110 Ų | 110 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -52.7 | -28.5 | -175.3 | -30.6 | 36.5 | 0 | 0 | 0 | 113.8 | A181 | P177-A181 WeakPolarHBondContact O-CB 3.44Å; P177-A181 PolarHBondContact O-N 2.69Å |
| 178 | L | 73.5 | Confident | 68 | Low | 146 Ų | 146 | 109.4 Ų | 109.4 | 76% | 0.764 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.8 | -42.9 | 170.3 | -65.3 | 175.2 | 0 | 0 | 0 | 113.9 | S176 H182 | S176-L178 CarbonylContact O-C 3.52Å; S176-L178 PolarHBondContact O-N 3.49Å; L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 2.86Å |
| 179 | L | 76.2 | Confident | 68.5 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 44% | 0.44 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.5 | -41.2 | 176.2 | -176 | 61.7 | 0 | 0 | 0 | 111.6 | E175 S176 H182 Q183 | E175-L179 HydrophobicContact CB-CD2 4.09Å; E175-L179 HydrophobicContact CB-CG 4.4Å; E175-L179 HydrophobicContact CG-CD2 4.16Å; S176-L179 WeakPolarHBondContact O-CA 3.34Å; S176-L179 WeakPolarHBondContact O-CB 3.48Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact OG-N 3.08Å; L179-H182 WeakPolarHBondContact O-CB 3.37Å; L179-H182 PolarHBondContact O-N 3.27Å; L179-Q183 WeakPolarHBondContact O-CB 3.35Å; L179-Q183 PolarHBondContact O-N 3.29Å |
| 180 | A | 78 | Confident | 69.5 | Low | 38 Ų | 38 | 106.5 Ų | 106.5 | 31% | 0.314 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -47.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S176 H182 Q183 M184 | S176-A180 PolarHBondContact O-N 3.15Å; A180-H182 VanDerWaalsContact C-N 3.35Å; A180-H182 PolarHBondContact O-N 3.18Å; A180-Q183 WeakPolarHBondContact O-CB 3.33Å; A180-Q183 PolarHBondContact O-N 2.89Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.31Å |
| 181 | A | 76.1 | Confident | 70.5 | Confident | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.3 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P177 M184 L185 | P177-A181 WeakPolarHBondContact O-CB 3.44Å; P177-A181 PolarHBondContact O-N 2.69Å; A181-M184 PolarHBondContact O-N 2.63Å; A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 VanDerWaalsContact O-CG 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 2.73Å |
| 182 | H | 75.6 | Confident | 71 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.1 | -45 | 173.5 | -174.9 | -76.6 | 0 | 0 | 0 | 111 | L178 L179 A180 L185 Y186 | L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 2.86Å; L179-H182 WeakPolarHBondContact O-CB 3.37Å; L179-H182 PolarHBondContact O-N 3.27Å; A180-H182 VanDerWaalsContact C-N 3.35Å; A180-H182 PolarHBondContact O-N 3.18Å; H182-L185 PolarHBondContact O-N 2.77Å; H182-Y186 AromaticContact CD2-CE2 3.76Å; H182-Y186 AromaticContact CE1-CD2 3.71Å; H182-Y186 AromaticContact CG-CE2 3.88Å; H182-Y186 AromaticContact ND1-CD2 3.6Å; H182-Y186 AromaticContact ND1-CE2 3.64Å; H182-Y186 AromaticContact NE2-CD2 3.76Å; H182-Y186 AromaticContact NE2-CE2 3.65Å; H182-Y186 WeakPolarHBondContact O-CD2 3.15Å; H182-Y186 PolarHBondContact O-N 3.07Å |
| 183 | Q | 80.9 | Confident | 71.7 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.6 | -46.4 | 176.5 | -161.1 | -179.5 | 110.8 | 0 | 0 | 111.6 | E175 L179 A180 L185 Y186 S187 | E175-Q183 PolarHBondContact OE2-NE2 3.11Å; L179-Q183 WeakPolarHBondContact O-CB 3.35Å; L179-Q183 PolarHBondContact O-N 3.29Å; A180-Q183 WeakPolarHBondContact O-CB 3.33Å; A180-Q183 PolarHBondContact O-N 2.89Å; Q183-L185 PolarHBondContact O-N 3.47Å; Q183-Y186 PolarHBondContact O-N 3.45Å; Q183-S187 WeakPolarHBondContact O-CB 3.23Å; Q183-S187 PolarHBondContact O-N 2.98Å; Q183-S187 PolarHBondContact O-OG 3.25Å |
| 184 | M | 76.9 | Confident | 72.7 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62 | -38.3 | 176.2 | -70.9 | -173.5 | 68.5 | 0 | 0 | 113.6 | A180 A181 S187 N188 | A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.31Å; A181-M184 PolarHBondContact O-N 2.63Å; M184-S187 WeakPolarHBondContact CA-OG 3.37Å; M184-S187 PolarHBondContact O-OG 2.88Å; M184-S187 VanDerWaalsContact O-OG 3.12Å; M184-N188 VanDerWaalsContact O-CB 3.32Å; M184-N188 WeakPolarHBondContact O-CB 3.25Å; M184-N188 VanDerWaalsContact O-CG 3.3Å; M184-N188 PolarHBondContact O-N 2.77Å; M184-N188 VanDerWaalsContact O-N 3.08Å |
| 185 | L | 74.1 | Confident | 73.3 | Confident | 95 Ų | 95 | 101.2 Ų | 101.2 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 179.9 | -77.4 | 166.9 | 0 | 0 | 0 | 111.8 | A181 H182 Q183 N189 | A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 VanDerWaalsContact O-CG 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 2.73Å; H182-L185 PolarHBondContact O-N 2.77Å; Q183-L185 PolarHBondContact O-N 3.47Å; L185-N189 WeakPolarHBondContact O-CB 3.37Å; L185-N189 PolarHBondContact O-N 2.65Å; L185-N189 VanDerWaalsContact O-N 3.09Å |
| 186 | Y | 70.9 | Confident | 73.6 | Confident | 63 Ų | 63 | 104.6 Ų | 104.6 | 25% | 0.247 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -84.9 | -20.5 | -179.5 | -63.1 | -70.1 | 0 | 0 | 0 | 114.2 | H182 Q183 I192 P194 F195 | H182-Y186 AromaticContact CD2-CE2 3.76Å; H182-Y186 AromaticContact CE1-CD2 3.71Å; H182-Y186 AromaticContact CG-CE2 3.88Å; H182-Y186 AromaticContact ND1-CD2 3.6Å; H182-Y186 AromaticContact ND1-CE2 3.64Å; H182-Y186 AromaticContact NE2-CD2 3.76Å; H182-Y186 AromaticContact NE2-CE2 3.65Å; H182-Y186 WeakPolarHBondContact O-CD2 3.15Å; H182-Y186 PolarHBondContact O-N 3.07Å; Q183-Y186 PolarHBondContact O-N 3.45Å; Y186-I192 HydrophobicContact CD1-CB 4.4Å; Y186-I192 HydrophobicContact CD1-CG2 4.41Å; Y186-I192 WeakPolarHBondContact CD1-O 3.42Å; Y186-I192 HydrophobicContact CE1-CB 4.25Å; Y186-I192 HydrophobicContact CE1-CG2 3.77Å; Y186-P194 VanDerWaalsContact CE1-CA 3.5Å; Y186-P194 HydrophobicContact CE1-CB 4.43Å; Y186-F195 PolarHBondContact OH-N 3Å; Y186-F195 VanDerWaalsContact OH-N 3.12Å |
| 187 | S | 73.8 | Confident | 73.5 | Confident | 78 Ų | 78 | 107.1 Ų | 107.1 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.1 | -45 | 170.4 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | Q183 M184 | Q183-S187 WeakPolarHBondContact O-CB 3.23Å; Q183-S187 PolarHBondContact O-N 2.98Å; Q183-S187 PolarHBondContact O-OG 3.25Å; M184-S187 WeakPolarHBondContact CA-OG 3.37Å; M184-S187 PolarHBondContact O-OG 2.88Å; M184-S187 VanDerWaalsContact O-OG 3.12Å |
| 188 | N | 74.8 | Confident | 72.8 | Confident | 114 Ų | 114 | 108.4 Ų | 108.4 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -84.4 | -33.6 | -172.7 | -62.6 | -3.8 | 0 | 0 | 0 | 111.9 | M184 | M184-N188 VanDerWaalsContact O-CB 3.32Å; M184-N188 WeakPolarHBondContact O-CB 3.25Å; M184-N188 VanDerWaalsContact O-CG 3.3Å; M184-N188 PolarHBondContact O-N 2.77Å; M184-N188 VanDerWaalsContact O-N 3.08Å |
| 189 | N | 68.6 | Low | 72.5 | Confident | 82 Ų | 82 | 106.6 Ų | 106.6 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | trans | -114.5 | 74 | 179.6 | -61.5 | -70 | 0 | 0 | 0 | 111.6 | L185 A191 I192 | L185-N189 WeakPolarHBondContact O-CB 3.37Å; L185-N189 PolarHBondContact O-N 2.65Å; L185-N189 VanDerWaalsContact O-N 3.09Å; N189-A191 PolarHBondContact O-N 3.38Å; N189-I192 HydrophobicContact CB-CD1 3.62Å; N189-I192 HydrophobicContact CB-CG1 3.79Å; N189-I192 PolarHBondContact O-N 3.11Å | ||
| 190 | R | 69.2 | Low | 71.9 | Confident | 240 Ų | 240 | 108.1 Ų | 108.1 | 91% | 0.906 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -13.2 | 176.7 | -163 | 175.8 | -176.7 | -168.3 | 1.3 | 114.2 | ||
| 191 | A | 76.3 | Confident | 71.3 | Confident | 100 Ų | 100 | 112.7 Ų | 112.7 | 83% | 0.826 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -16.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N189 P193 | N189-A191 PolarHBondContact O-N 3.38Å; A191-P193 WeakPolarHBondContact O-CD 3.39Å |
| 192 | I | 70.4 | Confident | 71 | Confident | 76 Ų | 76 | 118.8 Ų | 118.8 | 39% | 0.39 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -84.3 | 114.4 | 176 | -54.5 | 177.3 | 0 | 0 | 0 | 108.1 | Y186 N189 | Y186-I192 HydrophobicContact CD1-CB 4.4Å; Y186-I192 HydrophobicContact CD1-CG2 4.41Å; Y186-I192 WeakPolarHBondContact CD1-O 3.42Å; Y186-I192 HydrophobicContact CE1-CB 4.25Å; Y186-I192 HydrophobicContact CE1-CG2 3.77Å; N189-I192 HydrophobicContact CB-CD1 3.62Å; N189-I192 HydrophobicContact CB-CG1 3.79Å; N189-I192 PolarHBondContact O-N 3.11Å |
| 193 | P | 71.8 | Confident | 70.9 | Confident | 102 Ų | 102 | 118.7 Ų | 118.7 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | trans | -66.1 | 139.9 | 175.9 | 28.2 | -33.9 | 0 | 0 | 0 | 109.8 | A191 F195 | A191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-F195 PolarHBondContact O-N 3.45Å | ||
| 194 | P | 71.9 | Confident | 70.9 | Confident | 85 Ų | 85 | 116.6 Ų | 116.6 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | trans | -56.8 | 127.5 | 179.7 | 23.3 | -33.6 | 0 | 0 | 0 | 110.4 | Y186 K196 | Y186-P194 VanDerWaalsContact CE1-CA 3.5Å; Y186-P194 HydrophobicContact CE1-CB 4.43Å; P194-K196 PolarHBondContact O-N 3.4Å | ||
| 195 | F | 68.7 | Low | 70.8 | Confident | 158 Ų | 158 | 118.6 Ų | 118.6 | 69% | 0.693 | 63% | 0.63 | S | S | * | * | trans | -59.5 | 102.6 | 178.9 | -179.5 | -101.8 | 0 | 0 | 0 | 109.9 | Y186 P193 T197 | Y186-F195 PolarHBondContact OH-N 3Å; Y186-F195 VanDerWaalsContact OH-N 3.12Å; P193-F195 PolarHBondContact O-N 3.45Å; F195-T197 VanDerWaalsContact C-N 3.3Å; F195-T197 HydrophobicContact CD1-CG2 3.87Å; F195-T197 HydrophobicContact CE1-CG2 3.74Å; F195-T197 PolarHBondContact O-N 3.12Å | ||
| 196 | K | 71.6 | Confident | 70.9 | Confident | 181 Ų | 181 | 121.3 Ų | 121.3 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | trans | -69.9 | 91.4 | 172.4 | -66.3 | 179.1 | -176.5 | 175.8 | 0 | 107.7 | P194 N198 | P194-K196 PolarHBondContact O-N 3.4Å; K196-N198 PolarHBondContact O-N 3.34Å | ||
| 197 | T | 67.9 | Low | 71 | Confident | 106 Ų | 106 | 125.2 Ų | 125.2 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | trans | -51.4 | 107.3 | 155.8 | 46.5 | 0 | 0 | 0 | 0 | 106.7 | F195 P199 | F195-T197 VanDerWaalsContact C-N 3.3Å; F195-T197 HydrophobicContact CD1-CG2 3.87Å; F195-T197 HydrophobicContact CE1-CG2 3.74Å; F195-T197 PolarHBondContact O-N 3.12Å; T197-P199 WeakPolarHBondContact O-CD 3.32Å; T197-P199 VanDerWaalsContact O-N 3.15Å | ||
| 198 | N | 61.8 | Low | 71.1 | Confident | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | trans | -52 | 125.8 | 167.8 | -91.7 | -36 | 0 | 0 | 0 | 106.5 | K196 V200 | K196-N198 PolarHBondContact O-N 3.34Å; N198-V200 PolarHBondContact O-N 2.95Å | ||
| 199 | P | 67.8 | Low | 71.2 | Confident | 108 Ų | 108 | 129.5 Ų | 129.5 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -68.8 | 88.5 | 177.3 | 27.9 | -32.9 | 0 | 0 | 0 | 107.4 | T197 I201 | T197-P199 WeakPolarHBondContact O-CD 3.32Å; T197-P199 VanDerWaalsContact O-N 3.15Å; P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 WeakPolarHBondContact O-CG1 3.49Å; P199-I201 PolarHBondContact O-N 2.83Å | ||
| 200 | V | 62.6 | Low | 71 | Confident | 115 Ų | 115 | 131.2 Ų | 131.2 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | trans | -62.1 | 97.8 | 167.4 | 177.4 | 0 | 0 | 0 | 0 | 105 | N198 M202 | N198-V200 PolarHBondContact O-N 2.95Å; V200-M202 VanDerWaalsContact C-N 3.33Å; V200-M202 PolarHBondContact O-N 2.89Å | ||
| 201 | I | 66.1 | Low | 71.1 | Confident | 135 Ų | 135 | 128.9 Ų | 128.9 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | trans | -66 | 101.2 | -179.3 | -50.8 | -177.8 | 0 | 0 | 0 | 105.8 | P199 E203 | P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 WeakPolarHBondContact O-CG1 3.49Å; P199-I201 PolarHBondContact O-N 2.83Å; I201-E203 HydrophobicContact CB-CG 4.4Å; I201-E203 HydrophobicContact CG2-CG 3.68Å; I201-E203 PolarHBondContact O-N 3.16Å | ||
| 202 | M | 68.9 | Low | 70.6 | Confident | 174 Ų | 174 | 126.2 Ų | 126.2 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | trans | -71.6 | 64.3 | 177.2 | -75.1 | -71.4 | -72.5 | 0 | 0 | 109.5 | V200 S204 | V200-M202 VanDerWaalsContact C-N 3.33Å; V200-M202 PolarHBondContact O-N 2.89Å; M202-S204 PolarHBondContact O-N 3.45Å | ||
| 203 | E | 73.4 | Confident | 70.4 | Confident | 111 Ų | 111 | 127.6 Ų | 127.6 | 52% | 0.519 | 66% | 0.663 | S | S | . | * | trans | -64.4 | 107.5 | 171.9 | -64.1 | -162 | 150.5 | 0 | 0 | 108.7 | I201 R208 | I201-E203 HydrophobicContact CB-CG 4.4Å; I201-E203 HydrophobicContact CG2-CG 3.68Å; I201-E203 PolarHBondContact O-N 3.16Å; E203-R208 HydrophobicContact CB-CG 4.03Å; E203-R208 WeakPolarHBondContact OE2-CG 3.4Å | ||
| 204 | S | 81.3 | Confident | 69.9 | Low | 65 Ų | 65 | 128.5 Ų | 128.5 | 46% | 0.455 | 67% | 0.669 | S | S | . | * | trans | -57.4 | 150.7 | 170.5 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | M202 Y206 K207 R208 | M202-S204 PolarHBondContact O-N 3.45Å; S204-Y206 PolarHBondContact O-N 3.16Å; S204-K207 PolarHBondContact O-N 3.22Å; S204-R208 PolarHBondContact O-N 2.93Å | ||
| 205 | E | 75.2 | Confident | 69.3 | Low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -54.8 | -29.6 | 178.9 | -60.2 | -175.2 | 157.8 | 0 | 0 | 111.8 | R208 S209 | E205-R208 PolarHBondContact O-N 3.46Å; E205-S209 WeakPolarHBondContact O-CB 3.35Å; E205-S209 PolarHBondContact O-N 3.22Å; E205-S209 PolarHBondContact O-OG 2.93Å |
| 206 | Y | 76.1 | Confident | 68.8 | Low | 151 Ų | 151 | 130.4 Ų | 130.4 | 59% | 0.592 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -59.8 | -46 | 170.6 | -174.6 | -98 | 0 | 0 | 0 | 113.1 | S204 R208 S209 F210 | S204-Y206 PolarHBondContact O-N 3.16Å; Y206-R208 PolarHBondContact O-N 3.16Å; Y206-S209 PolarHBondContact O-N 3.43Å; Y206-F210 HydrophobicContact CD2-CB 4.35Å; Y206-F210 HydrophobicContact CE1-CB 4.46Å; Y206-F210 HydrophobicContact CE1-CD1 4.24Å; Y206-F210 HydrophobicContact CE2-CB 4.12Å; Y206-F210 HydrophobicContact CE2-CD1 4.45Å; Y206-F210 HydrophobicContact CE2-CG 4.28Å; Y206-F210 AromaticContact CZ-CD1 3.84Å; Y206-F210 WeakPolarHBondContact O-CA 3.49Å; Y206-F210 VanDerWaalsContact O-CB 3.23Å; Y206-F210 WeakPolarHBondContact O-CB 3.48Å; Y206-F210 PolarHBondContact O-N 3.43Å |
| 207 | K | 73.4 | Confident | 68.4 | Low | 145 Ų | 145 | 131.7 Ų | 131.7 | 63% | 0.63 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.8 | -36 | 177.9 | -72.3 | -69 | -173.8 | 176.8 | 0 | 112.8 | S204 | S204-K207 PolarHBondContact O-N 3.22Å |
| 208 | R | 75.9 | Confident | 68.2 | Low | 180 Ų | 180 | 131.7 Ų | 131.7 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.2 | -35.6 | 175.9 | -77.1 | 175.3 | 57 | -172.5 | -2.9 | 113.5 | E203 S204 E205 Y206 | E203-R208 HydrophobicContact CB-CG 4.03Å; E203-R208 WeakPolarHBondContact OE2-CG 3.4Å; S204-R208 PolarHBondContact O-N 2.93Å; E205-R208 PolarHBondContact O-N 3.46Å; Y206-R208 PolarHBondContact O-N 3.16Å |
| 209 | S | 75.7 | Confident | 67.7 | Low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -90.9 | -33.5 | -175.2 | -49.8 | 0 | 0 | 0 | 0 | 113 | E205 Y206 | E205-S209 WeakPolarHBondContact O-CB 3.35Å; E205-S209 PolarHBondContact O-N 3.22Å; E205-S209 PolarHBondContact O-OG 2.93Å; Y206-S209 PolarHBondContact O-N 3.43Å |
| 210 | F | 64.1 | Low | 67.1 | Low | 117 Ų | 117 | 136 Ų | 136 | 51% | 0.513 | 70% | 0.697 | S | S | . | * | trans | -105.7 | 77.8 | -178.9 | -165.8 | -102.8 | 0 | 0 | 0 | 110.8 | Y206 G212 | Y206-F210 HydrophobicContact CD2-CB 4.35Å; Y206-F210 HydrophobicContact CE1-CB 4.46Å; Y206-F210 HydrophobicContact CE1-CD1 4.24Å; Y206-F210 HydrophobicContact CE2-CB 4.12Å; Y206-F210 HydrophobicContact CE2-CD1 4.45Å; Y206-F210 HydrophobicContact CE2-CG 4.28Å; Y206-F210 AromaticContact CZ-CD1 3.84Å; Y206-F210 WeakPolarHBondContact O-CA 3.49Å; Y206-F210 VanDerWaalsContact O-CB 3.23Å; Y206-F210 WeakPolarHBondContact O-CB 3.48Å; Y206-F210 PolarHBondContact O-N 3.43Å; F210-G212 VanDerWaalsContact C-N 3.28Å; F210-G212 PolarHBondContact O-N 2.92Å | ||
| 211 | K | 73.1 | Confident | 66.5 | Low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | trans | -68.4 | 94.4 | 154.8 | -67 | -174 | -179.2 | -176.2 | 0 | 107.1 | ||||
| 212 | G | 65.8 | Low | 65.3 | Low | 43 Ų | 43 | 143 Ų | 143 | 44% | 0.443 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 147.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F210 | F210-G212 VanDerWaalsContact C-N 3.28Å; F210-G212 PolarHBondContact O-N 2.92Å |
| 213 | S | 64.5 | Low | 64.2 | Low | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 145.4 | 175.3 | 40.3 | 0 | 0 | 0 | 0 | 110.6 | L215 | S213-L215 PolarHBondContact O-N 3.16Š|
| 214 | P | 62.1 | Low | 62.5 | Low | 121 Ų | 121 | 147.7 Ų | 147.7 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139.9 | 176.8 | 25.2 | -34.2 | 0 | 0 | 0 | 109.7 | ||
| 215 | L | 59.8 | Low | 60.7 | Low | 161 Ų | 161 | 150.3 Ų | 150.3 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 136.1 | 179.1 | -68.1 | 171.7 | 0 | 0 | 0 | 109.9 | S213 R217 | S213-L215 PolarHBondContact O-N 3.16Å; L215-R217 PolarHBondContact O-N 2.97Å |
| 216 | P | 57.5 | Low | 59.3 | Low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 129.7 | 179 | 24.4 | -33.3 | 0 | 0 | 0 | 109.2 | ||
| 217 | R | 63.4 | Low | 57.5 | Low | 209 Ų | 209 | 151.4 Ų | 151.4 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.1 | 177.7 | -75.1 | 178.6 | 171.4 | 167.2 | -3 | 109 | L215 | L215-R217 PolarHBondContact O-N 2.97Š|
| 218 | P | 63.3 | Low | 55.9 | Low | 106 Ų | 106 | 154.6 Ų | 154.6 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 150.5 | -179.9 | 25.9 | -34.7 | 0 | 0 | 0 | 110.8 | R220 | P218-R220 PolarHBondContact O-N 3.37Å; P218-R220 VanDerWaalsContact O-N 3.08Å |
| 219 | P | 51.7 | Low | 54.1 | Low | 126 Ų | 126 | 155 Ų | 155 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 117.3 | 177.1 | -23.7 | 34 | 0 | 0 | 0 | 110.6 | L221 | P219-L221 PolarHBondContact O-N 3.29Š|
| 220 | R | 56 | Low | 52.3 | Low | 212 Ų | 212 | 156.5 Ų | 156.5 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 120.8 | 169.8 | -70.1 | 176.7 | 172.2 | 172 | -7.8 | 107.5 | P218 R222 | P218-R220 PolarHBondContact O-N 3.37Å; P218-R220 VanDerWaalsContact O-N 3.08Å; R220-R222 PolarHBondContact O-N 2.92Å |
| 221 | L | 49.5 | Very low | 51.4 | Low | 163 Ų | 163 | 156.4 Ų | 156.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.3 | 164.3 | -85.6 | 77.5 | 0 | 0 | 0 | 108.2 | P219 | P219-L221 PolarHBondContact O-N 3.29Š|
| 222 | R | 40.7 | Very low | 49.4 | Very low | 234 Ų | 234 | 154.3 Ų | 154.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.6 | 162 | -73.3 | 177.9 | 167.3 | 145.8 | -5.2 | 108.1 | R220 | R220-R222 PolarHBondContact O-N 2.92Š|
| 223 | R | 45.2 | Very low | 47.7 | Very low | 238 Ų | 238 | 159.9 Ų | 159.9 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -113.2 | 165.6 | 147.6 | -70.2 | -168.1 | -175.9 | 122.1 | -1.7 | 107 | ||||
| 224 | D | 38.5 | Very low | 46.2 | Very low | 146 Ų | 146 | 162 Ų | 162 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -93.5 | 165.3 | -147.3 | -55.1 | -80.7 | 0 | 0 | 0 | 114.8 | ||||
| 225 | V | 43.8 | Very low | 44.7 | Very low | 119 Ų | 119 | 163.4 Ų | 163.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | 6 | 114.1 | 158.4 | -174.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 226 | E | 44.6 | Very low | 43.2 | Very low | 183 Ų | 183 | 164.2 Ų | 164.2 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -155.6 | 100.6 | 137.9 | -104.6 | 156.9 | -145.9 | 0 | 0 | 105.3 | ||||
| 227 | Q | 39.4 | Very low | 41.9 | Very low | 154 Ų | 154 | 162.1 Ų | 162.1 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | 82.2 | 121.5 | 86.5 | -78.2 | -164.7 | 23.2 | 0 | 0 | 114.2 | |||||
| 228 | Y | 39.8 | Very low | 40.3 | Very low | 213 Ų | 213 | 161.4 Ų | 161.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 27.2 | 112.6 | 163.7 | -60.9 | -85.6 | 0 | 0 | 0 | 120.6 | ||||
| 229 | E | 37.2 | Very low | 38.9 | Very low | 189 Ų | 189 | 162.4 Ų | 162.4 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | -168.8 | 156.6 | 111 | -106.4 | 173.7 | -160 | 0 | 0 | 112.2 | |||||
| 230 | V | 38.9 | Very low | 38.6 | Very low | 134 Ų | 134 | 162.7 Ų | 162.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -141.2 | 118.7 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 231 | P | 43.7 | Very low | 37.2 | Very low | 115 Ų | 115 | 161.6 Ų | 161.6 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | -126.9 | 153.7 | 108.2 | 3.2 | 18.5 | 0 | 0 | 0 | 111.7 | |||||
| 232 | E | 31.5 | Very low | 36.4 | Very low | 147 Ų | 147 | 162.9 Ų | 162.9 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | cis | 104.3 | 137.7 | 27.1 | -148.6 | -175.2 | -144 | 0 | 0 | 113.9 | ||||
| 233 | F | 30.6 | Very low | 36.1 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | 59.2 | 118.9 | 172.5 | -62.8 | -54.5 | 0 | 0 | 0 | 124.1 | ||||
| 234 | L | 32 | Very low | 35.5 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | 25.8 | 123.7 | 125 | -66.6 | 168.4 | 0 | 0 | 0 | 119.6 | |||||
| 235 | T | 32.2 | Very low | 35.4 | Very low | 150 Ų | 150 | 161.7 Ų | 161.7 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | -152.5 | 144.7 | 121 | -1.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 236 | E | 28.4 | Very low | 34.8 | Very low | 178 Ų | 178 | 165.9 Ų | 165.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -102.2 | 144.1 | 179 | -173.5 | -174 | -159 | 0 | 0 | 110.3 | ||||
| 237 | S | 29.1 | Very low | 34.4 | Very low | 78 Ų | 78 | 166.4 Ų | 166.4 | 55% | 0.545 | 82% | 0.817 | S | S | . | * | 143 | 150.8 | 122.6 | 70.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 238 | K | 30.7 | Very low | 34 | Very low | 194 Ų | 194 | 169.4 Ų | 169.4 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | 81.3 | 151.3 | 148.5 | -71.7 | 149.1 | -161.8 | 150.9 | 0 | 121.2 | ||||
| 239 | T | 32.6 | Very low | 33.4 | Very low | 126 Ų | 126 | 166.8 Ų | 166.8 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -107.1 | 153.4 | -170.6 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 240 | P | 45.3 | Very low | 33.2 | Very low | 132 Ų | 132 | 167.9 Ų | 167.9 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -75.7 | 138.5 | 172 | 31.3 | -34.1 | 0 | 0 | 0 | 112.7 | ||||
| 241 | E | 27.3 | Very low | 32.7 | Very low | 189 Ų | 189 | 168.7 Ų | 168.7 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -99.3 | 179.3 | 179.2 | -142.2 | -156.5 | 135.9 | 0 | 0 | 113.3 | ||||
| 242 | K | 33.8 | Very low | 32.2 | Very low | 191 Ų | 191 | 173 Ų | 173 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 121.2 | -171.4 | -62.8 | 167.8 | -176 | 165.5 | 0 | 112.5 | ||
| 243 | S | 34.3 | Very low | 32.6 | Very low | 125 Ų | 125 | 172 Ų | 172 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 140 | 170.1 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 244 | K | 32.4 | Very low | 32.5 | Very low | 211 Ų | 211 | 171.6 Ų | 171.6 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 148.1 | 175.2 | -63.2 | 168.7 | -175.8 | 164 | 0 | 109.6 | ||
| 245 | R | 35.4 | Very low | 32.2 | Very low | 257 Ų | 257 | 169.4 Ų | 169.4 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | trans | -136.9 | 133.8 | 170.8 | -145.6 | 169 | -176.5 | 173.2 | 0.2 | 110.9 | ||||
| 246 | K | 32.3 | Very low | 32.3 | Very low | 206 Ų | 206 | 173.4 Ų | 173.4 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | -113.3 | 125.1 | -173.7 | -96.9 | -177.3 | 175.7 | 176.9 | 0 | 112.6 | ||||
| 247 | K | 34.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 174.5 Ų | 174.5 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | 42.7 | 120.9 | 128.6 | -159.3 | 179.3 | -169.9 | -179.5 | 0 | 119.9 | |||||
| 248 | K | 31 | Very low | 32.4 | Very low | 217 Ų | 217 | 176.3 Ų | 176.3 | 94% | 0.943 | 84% | 0.835 | S | S | * | * | trans | -133.8 | 169.1 | 139.5 | -88.6 | -159.4 | 176.7 | -175.3 | 0 | 110.8 | ||||
| 249 | K | 28.6 | Very low | 32.2 | Very low | 157 Ų | 157 | 172.5 Ų | 172.5 | 68% | 0.683 | 83% | 0.833 | S | S | * | * | trans | -124.8 | 147 | -164.4 | 170.6 | -163.3 | 170.6 | -156.8 | 0 | 110.1 | E251 | K249-E251 WeakPolarHBondContact CE-OE1 3.17Å; K249-E251 IonicContact NZ-OE1 2.82Å; K249-E251 PolarHBondContact NZ-OE1 3Å | ||
| 250 | K | 31 | Very low | 32.9 | Very low | 212 Ų | 212 | 170.9 Ų | 170.9 | 92% | 0.922 | 83% | 0.825 | S | S | * | * | trans | -145.6 | 170.5 | 155.3 | -126.3 | -179.2 | -179.9 | -174.5 | 0 | 109.9 | ||||
| 251 | E | 29.2 | Very low | 32.1 | Very low | 152 Ų | 152 | 172.2 Ų | 172.2 | 71% | 0.71 | 82% | 0.82 | S | S | * | * | trans | -121.2 | -174.6 | -149.7 | -67.9 | 177 | 132.1 | 0 | 0 | 115.9 | K249 | K249-E251 WeakPolarHBondContact CE-OE1 3.17Å; K249-E251 IonicContact NZ-OE1 2.82Å; K249-E251 PolarHBondContact NZ-OE1 3Å | ||
| 252 | R | 33.8 | Very low | 32.3 | Very low | 204 Ų | 204 | 170 Ų | 170 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -87.9 | 173 | -169.5 | -60.7 | 175.9 | 166.9 | 179.9 | -5.4 | 113.3 | ||||
| 253 | P | 38.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 167.9 Ų | 167.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -127 | 157 | 85.7 | 10.2 | 11.9 | 0 | 0 | 0 | 112.4 | |||||
| 254 | H | 28.9 | Very low | 31.9 | Very low | 153 Ų | 153 | 168.3 Ų | 168.3 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | cis | 102.3 | 105.8 | 31.1 | -93.6 | -77.7 | 0 | 0 | 0 | 116.2 | ||||
| 255 | S | 26.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 161.9 Ų | 161.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -161.9 | 127.9 | 141.1 | 67.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 256 | R | 34.3 | Very low | 31.7 | Very low | 235 Ų | 235 | 160.6 Ų | 160.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | 64.7 | 126.7 | 90.6 | -66.4 | 179.7 | 174.4 | 178.3 | -2.4 | 112.5 | |||||
| 257 | K | 28.5 | Very low | 31.9 | Very low | 200 Ų | 200 | 158.9 Ų | 158.9 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | cis | -144.6 | 173.8 | 23.1 | -76.8 | 142.3 | 177.1 | -177.3 | 0 | 109.5 | ||||
| 258 | S | 30.3 | Very low | 31.8 | Very low | 116 Ų | 116 | 158 Ų | 158 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | cis | -162.5 | 162.2 | -10.2 | 36.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 259 | S | 27.5 | Very low | 32 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -87.8 | -171.7 | 165.3 | -110.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 260 | P | 46.1 | Very low | 32 | Very low | 93 Ų | 93 | 156.1 Ų | 156.1 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | cis | -124.5 | -159.4 | 11.5 | 40.7 | -19.8 | 0 | 0 | 0 | 113 | ||||
| 261 | E | 29.2 | Very low | 31.9 | Very low | 159 Ų | 159 | 153 Ų | 153 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -156.2 | -174.5 | 14.8 | -148.5 | 118.5 | -110.4 | 0 | 0 | 113.8 | ||||
| 262 | Q | 30.3 | Very low | 32.1 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | trans | -38.5 | 170.4 | 175.6 | -78.9 | 155.9 | -75.2 | 0 | 0 | 119.3 | ||||
| 263 | E | 31 | Very low | 32 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -150.7 | 148.2 | 7.6 | -119.1 | 152.8 | -161.5 | 0 | 0 | 109.1 | ||||
| 264 | V | 30.4 | Very low | 31.7 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | 47.4 | 125.8 | 90.1 | -167.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 265 | A | 31.9 | Very low | 32.1 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -120.3 | -127.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 266 | Y | 31.9 | Very low | 32.3 | Very low | 230 Ų | 230 | 150.4 Ų | 150.4 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | cis | -145.1 | -177.6 | -2.1 | -118 | -50.7 | 0 | 0 | 0 | 109.2 | ||||
| 267 | L | 35.2 | Very low | 32.1 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -115.3 | 129.1 | 177.7 | -77.5 | 170.2 | 0 | 0 | 0 | 111.9 | ||||
| 268 | Q | 33.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -144.6 | 142.8 | 148.8 | -155.2 | 161.3 | 17.6 | 0 | 0 | 111.7 | ||||
| 269 | Q | 34.1 | Very low | 33 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -31.6 | 157.6 | 171.6 | -67.9 | 154.2 | -2.4 | 0 | 0 | 116.4 | ||||
| 270 | Q | 30.3 | Very low | 33.4 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 177.1 | 114.6 | -9.3 | 163.4 | -174.7 | -19.6 | 0 | 0 | 107.6 | ||||
| 271 | E | 27.9 | Very low | 33.1 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -165.4 | 147.8 | 151.4 | -132.3 | -166.3 | 157.1 | 0 | 0 | 112.6 | K273 | E271-K273 IonicContact OE1-NZ 3.37Å; E271-K273 PolarHBondContact OE1-NZ 3.5Å; E271-K273 VanDerWaalsContact OE1-NZ 3.16Å; E271-K273 WeakPolarHBondContact OE2-CE 3.44Å; E271-K273 IonicContact OE2-NZ 3.22Å; E271-K273 PolarHBondContact OE2-NZ 2.98Å | ||
| 272 | V | 33.8 | Very low | 33.8 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | trans | -95.9 | 102.7 | 179 | 179.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | K | 31 | Very low | 34.5 | Very low | 158 Ų | 158 | 146 Ų | 146 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -125 | 124.4 | 168.9 | -78.4 | 166.9 | 179.9 | 151.9 | 0 | 110 | E271 | E271-K273 IonicContact OE1-NZ 3.37Å; E271-K273 PolarHBondContact OE1-NZ 3.5Å; E271-K273 VanDerWaalsContact OE1-NZ 3.16Å; E271-K273 WeakPolarHBondContact OE2-CE 3.44Å; E271-K273 IonicContact OE2-NZ 3.22Å; E271-K273 PolarHBondContact OE2-NZ 2.98Å | ||
| 274 | S | 33.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -81.1 | 138.2 | -161.4 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | H276 | S274-H276 PolarHBondContact O-N 2.96Å; S274-H276 VanDerWaalsContact O-N 3.17Å | ||
| 275 | P | 36.1 | Very low | 36.1 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -86.8 | 84.9 | -179.2 | 34.3 | -34.6 | 0 | 0 | 0 | 111.6 | ||||
| 276 | H | 31.2 | Very low | 37 | Very low | 142 Ų | 142 | 152.6 Ų | 152.6 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -143.5 | 79.1 | 168 | -156.5 | -82.8 | 0 | 0 | 0 | 114.9 | S274 | S274-H276 PolarHBondContact O-N 2.96Å; S274-H276 VanDerWaalsContact O-N 3.17Å | ||
| 277 | N | 31.3 | Very low | 38.4 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -124.7 | 68.1 | 160.6 | -104.8 | -74.4 | 0 | 0 | 0 | 110.2 | K279 | N277-K279 PolarHBondContact O-N 3.01Å; N277-K279 VanDerWaalsContact O-N 3.08Å | ||
| 278 | L | 42.5 | Very low | 39.8 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | trans | -61.5 | 106.9 | 156.7 | -74.6 | 177.8 | 0 | 0 | 0 | 107.4 | D280 | L278-D280 PolarHBondContact O-N 3.32Å; L278-D280 VanDerWaalsContact O-N 3.16Å | ||
| 279 | K | 34.7 | Very low | 41.1 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -64 | 114.9 | 174.4 | -70.6 | 177.2 | 177.7 | 175 | 0 | 108.6 | N277 | N277-K279 PolarHBondContact O-N 3.01Å; N277-K279 VanDerWaalsContact O-N 3.08Å | ||
| 280 | D | 34.8 | Very low | 42.5 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -53.8 | 137.2 | 172.8 | -81 | -51.5 | 0 | 0 | 0 | 110.5 | L278 S282 | L278-D280 PolarHBondContact O-N 3.32Å; L278-D280 VanDerWaalsContact O-N 3.16Å; D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 3.34Å | ||
| 281 | P | 40.7 | Very low | 44.8 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 93.9 | 175.1 | 29.6 | -33.2 | 0 | 0 | 0 | 108.5 | ||||
| 282 | S | 43 | Very low | 47 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -49.8 | 137.4 | 175.3 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | D280 K284 | D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 3.34Å; S282-K284 PolarHBondContact O-N 3.09Å | ||
| 283 | P | 44.7 | Very low | 49.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -59.3 | 114.7 | -176 | 23.7 | -33.1 | 0 | 0 | 0 | 107.6 | V285 | P283-V285 VanDerWaalsContact C-N 3.34Å; P283-V285 PolarHBondContact O-N 2.78Å | ||
| 284 | K | 46.7 | Very low | 51 | Low | 198 Ų | 198 | 145.1 Ų | 145.1 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -55.6 | 100.6 | -179.2 | -74.9 | 180 | 179.7 | 174.7 | 0 | 107.9 | S282 M286 | S282-K284 PolarHBondContact O-N 3.09Å; K284-M286 VanDerWaalsContact C-N 3.3Å; K284-M286 PolarHBondContact O-N 3.25Å | ||
| 285 | V | 48.3 | Very low | 52.7 | Low | 127 Ų | 127 | 142.8 Ų | 142.8 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | -57.5 | 102.8 | 168.4 | 176.5 | 0 | 0 | 0 | 0 | 104.8 | P283 R287 | P283-V285 VanDerWaalsContact C-N 3.34Å; P283-V285 PolarHBondContact O-N 2.78Å; V285-R287 PolarHBondContact O-N 3.37Å | ||
| 286 | M | 52.2 | Low | 54.4 | Low | 170 Ų | 170 | 141.1 Ų | 141.1 | 84% | 0.837 | 71% | 0.708 | S | S | * | * | trans | -54.7 | 112.4 | -179.6 | -71 | -179.5 | 69.4 | 0 | 0 | 106.1 | K284 K288 | K284-M286 VanDerWaalsContact C-N 3.3Å; K284-M286 PolarHBondContact O-N 3.25Å; M286-K288 PolarHBondContact O-N 3.21Å | ||
| 287 | R | 60.4 | Low | 56.4 | Low | 240 Ų | 240 | 140.7 Ų | 140.7 | 91% | 0.906 | 70% | 0.704 | S | S | * | * | trans | -48.4 | 112 | -178.8 | -79.7 | 180 | 169.8 | 171.6 | -4.3 | 106.2 | V285 G289 | V285-R287 PolarHBondContact O-N 3.37Å; R287-G289 PolarHBondContact O-N 2.69Å | ||
| 288 | K | 65.6 | Low | 58.6 | Low | 164 Ų | 164 | 136.5 Ų | 136.5 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | trans | -46.5 | 111.1 | -168.7 | -75.3 | 172.4 | 178.6 | 166.9 | 0 | 107.7 | M286 K290 | M286-K288 PolarHBondContact O-N 3.21Å; K288-K290 PolarHBondContact O-N 3.3Å | ||
| 289 | G | 60.7 | Low | 60.2 | Low | 49 Ų | 49 | 132.8 Ų | 132.8 | 51% | 0.505 | 67% | 0.665 | S | S | . | * | trans | -52.5 | 129.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | R287 T291 | R287-G289 PolarHBondContact O-N 2.69Å; G289-T291 PolarHBondContact O-N 3.1Å | ||
| 290 | K | 63.5 | Low | 62.3 | Low | 205 Ų | 205 | 128.2 Ų | 128.2 | 89% | 0.891 | 66% | 0.655 | S | S | * | * | trans | -70.2 | 74.5 | 168.6 | -68.7 | -172.7 | -180 | -176 | 0 | 107 | K288 | K288-K290 PolarHBondContact O-N 3.3Š| ||
| 291 | T | 77.6 | Confident | 64.2 | Low | 74 Ų | 74 | 125.8 Ų | 125.8 | 45% | 0.454 | 64% | 0.642 | S | S | . | * | trans | -63 | 142.9 | 169 | 57 | 0 | 0 | 0 | 0 | 107.6 | G289 Y293 R294 S295 | G289-T291 PolarHBondContact O-N 3.1Å; T291-Y293 PolarHBondContact O-N 3.02Å; T291-Y293 VanDerWaalsContact O-N 3.14Å; T291-R294 WeakPolarHBondContact O-CA 3.33Å; T291-R294 PolarHBondContact O-N 3.34Å; T291-R294 WeakPolarHBondContact OG1-CG 3.3Å; T291-S295 PolarHBondContact O-N 3.3Å | ||
| 292 | E | 74.8 | Confident | 66 | Low | 154 Ų | 154 | 123.6 Ų | 123.6 | 72% | 0.72 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -54.7 | -34.5 | 177.8 | -67.8 | 158.3 | -159.3 | 0 | 0 | 111 | R294 S295 N296 | E292-R294 VanDerWaalsContact C-N 3.27Å; E292-R294 PolarHBondContact O-N 3.06Å; E292-S295 WeakPolarHBondContact CA-OG 3.26Å; E292-S295 PolarHBondContact O-N 2.99Å; E292-S295 VanDerWaalsContact O-N 3.17Å; E292-S295 PolarHBondContact O-OG 3.41Å; E292-N296 WeakPolarHBondContact O-CB 3.23Å; E292-N296 PolarHBondContact O-N 2.94Å; E292-N296 PolarHBondContact O-ND2 3.36Å; E292-N296 PolarHBondContact O-OD1 2.99Å |
| 293 | Y | 78.3 | Confident | 68 | Low | 162 Ų | 162 | 121.8 Ų | 121.8 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -53.5 | -41.6 | 171 | -169 | -91.9 | 0 | 0 | 0 | 113 | T291 F297 | T291-Y293 PolarHBondContact O-N 3.02Å; T291-Y293 VanDerWaalsContact O-N 3.14Å; Y293-F297 AromaticContact CD2-CD2 3.41Å; Y293-F297 HydrophobicContact CD2-CD2 3.41Å; Y293-F297 VanDerWaalsContact CD2-CD2 3.41Å; Y293-F297 AromaticContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CG 4.19Å; Y293-F297 HydrophobicContact CE1-CB 4.24Å; Y293-F297 HydrophobicContact CE2-CB 4.37Å; Y293-F297 AromaticContact CE2-CD2 3.55Å; Y293-F297 HydrophobicContact CE2-CD2 3.55Å; Y293-F297 AromaticContact CE2-CE2 3.92Å; Y293-F297 HydrophobicContact CE2-CE2 3.92Å; Y293-F297 AromaticContact CE2-CG 3.9Å; Y293-F297 HydrophobicContact CE2-CG 3.9Å; Y293-F297 AromaticContact CG-CD2 3.95Å; Y293-F297 HydrophobicContact CG-CD2 3.95Å; Y293-F297 WeakPolarHBondContact O-CA 3.39Å; Y293-F297 WeakPolarHBondContact O-CB 3.49Å; Y293-F297 WeakPolarHBondContact O-CD2 3.29Å; Y293-F297 PolarHBondContact O-N 3.47Å |
| 294 | R | 69.4 | Low | 69.8 | Low | 154 Ų | 154 | 117.1 Ų | 117.1 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.9 | -14.4 | -179.4 | -66.4 | 178 | 72.7 | 121.6 | 17.9 | 114.5 | T291 E292 | T291-R294 WeakPolarHBondContact O-CA 3.33Å; T291-R294 PolarHBondContact O-N 3.34Å; T291-R294 WeakPolarHBondContact OG1-CG 3.3Å; E292-R294 VanDerWaalsContact C-N 3.27Å; E292-R294 PolarHBondContact O-N 3.06Å |
| 295 | S | 69.1 | Low | 71.5 | Confident | 60 Ų | 60 | 114.5 Ų | 114.5 | 42% | 0.42 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -90.3 | -22.4 | 169.3 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | T291 E292 H298 | T291-S295 PolarHBondContact O-N 3.3Å; E292-S295 WeakPolarHBondContact CA-OG 3.26Å; E292-S295 PolarHBondContact O-N 2.99Å; E292-S295 VanDerWaalsContact O-N 3.17Å; E292-S295 PolarHBondContact O-OG 3.41Å; S295-H298 PolarHBondContact O-CE1 3.19Å |
| 296 | N | 73.6 | Confident | 73.2 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -102.1 | -47.5 | -173.3 | -57.3 | 2.3 | 0 | 0 | 0 | 110.3 | E292 H298 Y303 | E292-N296 WeakPolarHBondContact O-CB 3.23Å; E292-N296 PolarHBondContact O-N 2.94Å; E292-N296 PolarHBondContact O-ND2 3.36Å; E292-N296 PolarHBondContact O-OD1 2.99Å; N296-H298 PolarHBondContact O-N 2.89Å; N296-H298 PolarHBondContact O-ND1 2.72Å; N296-Y303 PolarHBondContact O-OH 3.01Å |
| 297 | F | 72.9 | Confident | 74.1 | Confident | 133 Ų | 133 | 113.5 Ų | 113.5 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | trans | -92.5 | 92.4 | 177.7 | -57.5 | -89.5 | 0 | 0 | 0 | 110.6 | Y293 | Y293-F297 AromaticContact CD2-CD2 3.41Å; Y293-F297 HydrophobicContact CD2-CD2 3.41Å; Y293-F297 VanDerWaalsContact CD2-CD2 3.41Å; Y293-F297 AromaticContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CE2 3.75Å; Y293-F297 HydrophobicContact CD2-CG 4.19Å; Y293-F297 HydrophobicContact CE1-CB 4.24Å; Y293-F297 HydrophobicContact CE2-CB 4.37Å; Y293-F297 AromaticContact CE2-CD2 3.55Å; Y293-F297 HydrophobicContact CE2-CD2 3.55Å; Y293-F297 AromaticContact CE2-CE2 3.92Å; Y293-F297 HydrophobicContact CE2-CE2 3.92Å; Y293-F297 AromaticContact CE2-CG 3.9Å; Y293-F297 HydrophobicContact CE2-CG 3.9Å; Y293-F297 AromaticContact CG-CD2 3.95Å; Y293-F297 HydrophobicContact CG-CD2 3.95Å; Y293-F297 WeakPolarHBondContact O-CA 3.39Å; Y293-F297 WeakPolarHBondContact O-CB 3.49Å; Y293-F297 WeakPolarHBondContact O-CD2 3.29Å; Y293-F297 PolarHBondContact O-N 3.47Å | ||
| 298 | H | 77.1 | Confident | 75.1 | Confident | 68 Ų | 68 | 104.8 Ų | 104.8 | 32% | 0.315 | 53% | 0.529 | S | S | . | . | trans | -79.9 | 173.9 | 170.3 | -64.8 | 77.7 | 0 | 0 | 0 | 110.9 | S295 N296 Q302 Y303 | S295-H298 PolarHBondContact O-CE1 3.19Å; N296-H298 PolarHBondContact O-N 2.89Å; N296-H298 PolarHBondContact O-ND1 2.72Å; H298-Q302 HydrophobicContact CB-CB 4.36Å; H298-Q302 HydrophobicContact CB-CG 4.49Å; H298-Q302 PolarHBondContact CD2-OE1 3.36Å; H298-Y303 HydrophobicContact CB-CE2 4.03Å | ||
| 299 | S | 76.9 | Confident | 75.8 | Confident | 56 Ų | 56 | 99.1 Ų | 99.1 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | trans | -63.7 | 145 | 172.9 | 46.3 | 0 | 0 | 0 | 0 | 111 | L301 Q302 | S299-L301 PolarHBondContact O-N 2.82Å; S299-Q302 PolarHBondContact O-N 3.25Å | ||
| 300 | P | 77.8 | Confident | 76.7 | Confident | 99 Ų | 99 | 104.6 Ų | 104.6 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -54.9 | -27.9 | 178 | -29.2 | 36.5 | 0 | 0 | 0 | 114.1 | Q302 Y303 | P300-Q302 PolarHBondContact O-N 3.24Å; P300-Y303 PolarHBondContact O-N 3.5Å |
| 301 | L | 74.5 | Confident | 77.6 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -60.8 | -8.4 | 173.6 | -57 | 175.8 | 0 | 0 | 0 | 114.7 | S299 Y328 | S299-L301 PolarHBondContact O-N 2.82Å; L301-Y328 HydrophobicContact CD2-CD2 4.28Å; L301-Y328 HydrophobicContact CD2-CE2 4.25Å |
| 302 | Q | 79.4 | Confident | 77.8 | Confident | 76 Ų | 76 | 100.8 Ų | 100.8 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -97.3 | 6.1 | 173.5 | -60.1 | -167.3 | 5.2 | 0 | 0 | 113.2 | H298 S299 P300 K312 I313 | H298-Q302 HydrophobicContact CB-CB 4.36Å; H298-Q302 HydrophobicContact CB-CG 4.49Å; H298-Q302 PolarHBondContact CD2-OE1 3.36Å; S299-Q302 PolarHBondContact O-N 3.25Å; P300-Q302 PolarHBondContact O-N 3.24Å; Q302-K312 WeakPolarHBondContact O-CA 3.16Å; Q302-I313 PolarHBondContact O-N 3.23Å |
| 303 | Y | 83.9 | Confident | 77.8 | Confident | 57 Ų | 57 | 96.9 Ų | 96.9 | 22% | 0.224 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.5 | 177.8 | -57.7 | -97.9 | 0 | 0 | 0 | 110.3 | N296 H298 P300 L311 K312 | N296-Y303 PolarHBondContact O-OH 3.01Å; H298-Y303 HydrophobicContact CB-CE2 4.03Å; P300-Y303 PolarHBondContact O-N 3.5Å; Y303-L311 CarbonylContact C-O 3.55Å; Y303-L311 WeakPolarHBondContact CA-O 3.49Å; Y303-K312 HydrophobicContact CD1-CB 4.04Å; Y303-K312 HydrophobicContact CE1-CB 3.99Å; Y303-K312 HydrophobicContact CE1-CG 4.41Å |
| 304 | S | 83.6 | Confident | 77.2 | Confident | 19 Ų | 19 | 98.1 Ų | 98.1 | 13% | 0.133 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.9 | 168.6 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | L311 | S304-L311 PolarHBondContact N-O 3.01Å; S304-L311 PolarHBondContact O-N 2.99Å |
| 305 | Y | 81.4 | Confident | 76.5 | Confident | 143 Ų | 143 | 96.5 Ų | 96.5 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 115.8 | 175.5 | -174.2 | -103.5 | 0 | 0 | 0 | 108.8 | A309 W310 | Y305-A309 WeakPolarHBondContact CA-O 3.26Å; Y305-W310 AromaticContact CD2-CD1 3.96Å; Y305-W310 AromaticContact CD2-CD2 4Å; Y305-W310 HydrophobicContact CD2-CD2 4Å; Y305-W310 AromaticContact CD2-CE2 3.77Å; Y305-W310 HydrophobicContact CD2-CG 4.14Å; Y305-W310 HydrophobicContact CD2-CZ2 4.27Å; Y305-W310 AromaticContact CD2-NE1 3.72Å |
| 306 | K | 84.1 | Confident | 75.4 | Confident | 110 Ų | 110 | 97.6 Ų | 97.6 | 48% | 0.478 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.4 | 173.3 | -69.4 | -164.8 | 174.6 | -170.3 | 0 | 108.9 | G308 A309 L311 | K306-G308 PolarHBondContact O-N 2.96Å; K306-G308 VanDerWaalsContact O-N 3.1Å; K306-A309 PolarHBondContact N-O 3.21Å; K306-A309 PolarHBondContact O-N 3.08Å; K306-L311 HydrophobicContact CB-CD1 4.27Å |
| 307 | D | 70.4 | Confident | 74.2 | Confident | 166 Ų | 166 | 101.9 Ų | 101.9 | 89% | 0.888 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 38.9 | 170.2 | -44.8 | -41.3 | 0 | 0 | 0 | 114.7 | A309 | D307-A309 VanDerWaalsContact C-N 3.3Å; D307-A309 PolarHBondContact O-N 3.06Å |
| 308 | G | 82.3 | Confident | 73.5 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -2.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K306 | K306-G308 PolarHBondContact O-N 2.96Å; K306-G308 VanDerWaalsContact O-N 3.1Å |
| 309 | A | 80.1 | Confident | 72.4 | Confident | 45 Ų | 45 | 110 Ų | 110 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121 | 148.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y305 K306 D307 L311 | Y305-A309 WeakPolarHBondContact CA-O 3.26Å; K306-A309 PolarHBondContact N-O 3.21Å; K306-A309 PolarHBondContact O-N 3.08Å; D307-A309 VanDerWaalsContact C-N 3.3Å; D307-A309 PolarHBondContact O-N 3.06Å; A309-L311 HydrophobicContact CB-CD2 4.47Å; A309-L311 PolarHBondContact O-N 2.87Å |
| 310 | W | 80.8 | Confident | 71.3 | Confident | 165 Ų | 165 | 109.9 Ų | 109.9 | 63% | 0.625 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88 | 96.7 | 169.2 | -72.8 | 95.3 | 0 | 0 | 0 | 109.9 | Y305 | Y305-W310 AromaticContact CD2-CD1 3.96Å; Y305-W310 AromaticContact CD2-CD2 4Å; Y305-W310 HydrophobicContact CD2-CD2 4Å; Y305-W310 AromaticContact CD2-CE2 3.77Å; Y305-W310 HydrophobicContact CD2-CG 4.14Å; Y305-W310 HydrophobicContact CD2-CZ2 4.27Å; Y305-W310 AromaticContact CD2-NE1 3.72Å |
| 311 | L | 82.1 | Confident | 70.1 | Confident | 89 Ų | 89 | 108.2 Ų | 108.2 | 47% | 0.466 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 132 | 176.8 | -61 | 179.2 | 0 | 0 | 0 | 109.6 | Y303 S304 K306 A309 I313 | Y303-L311 CarbonylContact C-O 3.55Å; Y303-L311 WeakPolarHBondContact CA-O 3.49Å; S304-L311 PolarHBondContact N-O 3.01Å; S304-L311 PolarHBondContact O-N 2.99Å; K306-L311 HydrophobicContact CB-CD1 4.27Å; A309-L311 HydrophobicContact CB-CD2 4.47Å; A309-L311 PolarHBondContact O-N 2.87Å; L311-I313 PolarHBondContact O-N 3.46Å |
| 312 | K | 80.4 | Confident | 69.3 | Low | 109 Ų | 109 | 108.8 Ų | 108.8 | 47% | 0.474 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.1 | 170.9 | -175.9 | 175.1 | -178.3 | 170.7 | 0 | 108.8 | Q302 Y303 K314 | Q302-K312 WeakPolarHBondContact O-CA 3.16Å; Y303-K312 HydrophobicContact CD1-CB 4.04Å; Y303-K312 HydrophobicContact CE1-CB 3.99Å; Y303-K312 HydrophobicContact CE1-CG 4.41Å; K312-K314 PolarHBondContact O-N 3.22Å |
| 313 | I | 74.9 | Confident | 68.3 | Low | 72 Ų | 72 | 107.3 Ų | 107.3 | 37% | 0.369 | 58% | 0.577 | S | S | . | * | trans | -63.4 | 107.3 | 173.8 | -59.4 | 170.5 | 0 | 0 | 0 | 107 | Q302 L311 S315 | Q302-I313 PolarHBondContact O-N 3.23Å; L311-I313 PolarHBondContact O-N 3.46Å; I313-S315 PolarHBondContact O-N 3.17Å | ||
| 314 | K | 66.6 | Low | 67.1 | Low | 188 Ų | 188 | 107.8 Ų | 107.8 | 82% | 0.817 | 58% | 0.58 | S | S | * | * | trans | -70.5 | 117.8 | 170.4 | -67.4 | -179.9 | -176.7 | 174.7 | 0 | 106.9 | K312 A316 | K312-K314 PolarHBondContact O-N 3.22Å; K314-A316 PolarHBondContact O-N 2.76Å | ||
| 315 | S | 54.2 | Low | 66.2 | Low | 121 Ų | 121 | 112.6 Ų | 112.6 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | trans | -75.1 | 58.8 | 170.5 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | I313 | I313-S315 PolarHBondContact O-N 3.17Š| ||
| 316 | A | 46.4 | Very low | 65.9 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 69% | 0.686 | 60% | 0.603 | S | S | * | * | trans | -68.3 | 159.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 108 | K314 | K314-A316 PolarHBondContact O-N 2.76Š| ||
| 317 | K | 48.7 | Very low | 66 | Low | 186 Ų | 186 | 113.7 Ų | 113.7 | 81% | 0.809 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -67.1 | 144.4 | 170.4 | -65.3 | -178.7 | 177.4 | -175.8 | 0 | 109.3 | ||
| 318 | E | 57.7 | Low | 66.6 | Low | 174 Ų | 174 | 110.5 Ų | 110.5 | 81% | 0.813 | 58% | 0.582 | S | S | * | * | trans | 36.6 | 98.1 | 155.8 | -67.6 | 159.9 | 121.3 | 0 | 0 | 117.2 | ||||
| 319 | E | 54.2 | Low | 66.8 | Low | 198 Ų | 198 | 112.7 Ų | 112.7 | 93% | 0.925 | 58% | 0.577 | S | S | * | * | trans | -158.3 | 154.1 | 131.4 | -115.3 | 167.8 | -160.2 | 0 | 0 | 110.9 | ||||
| 320 | G | 53.8 | Low | 67.3 | Low | 54 Ų | 54 | 115.3 Ų | 115.3 | 56% | 0.557 | 58% | 0.581 | S | S | * | * | trans | -57.7 | 132.5 | -156.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 321 | C | 52.8 | Low | 67.9 | Low | 63 Ų | 63 | 109 Ų | 109 | 43% | 0.426 | 56% | 0.561 | S | S | . | * | trans | -146.1 | 45.3 | 162.3 | -167.7 | 0 | 0 | 0 | 0 | 109.6 | G323 F324 | C321-G323 VanDerWaalsContact C-N 3.34Å; C321-G323 PolarHBondContact O-N 3.21Å; C321-F324 PolarHBondContact O-N 3.24Å | ||
| 322 | D | 56.7 | Low | 68.4 | Low | 110 Ų | 110 | 110 Ų | 110 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.9 | -39.9 | -161.6 | -49.4 | -61.8 | 0 | 0 | 0 | 111.9 | F324 H325 E326 | D322-F324 PolarHBondContact O-N 2.92Å; D322-H325 CarbonylContact O-C 3.49Å; D322-H325 WeakPolarHBondContact O-CA 3.17Å; D322-H325 WeakPolarHBondContact O-CB 3.37Å; D322-H325 PolarHBondContact O-N 3.02Å; D322-E326 WeakPolarHBondContact O-CG 3.35Å; D322-E326 PolarHBondContact O-N 3.36Å |
| 323 | G | 59.2 | Low | 69.1 | Low | 45 Ų | 45 | 109 Ų | 109 | 46% | 0.464 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.9 | -22.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C321 W327 | C321-G323 VanDerWaalsContact C-N 3.34Å; C321-G323 PolarHBondContact O-N 3.21Å; G323-W327 WeakPolarHBondContact O-CB 3.37Å; G323-W327 PolarHBondContact O-N 3.01Å |
| 324 | F | 58.8 | Low | 70 | Confident | 67 Ų | 67 | 109.7 Ų | 109.7 | 29% | 0.294 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -80.6 | -30.6 | 172.8 | -169.1 | -96.3 | 0 | 0 | 0 | 112.4 | C321 D322 Y328 | C321-F324 PolarHBondContact O-N 3.24Å; D322-F324 PolarHBondContact O-N 2.92Å; F324-Y328 WeakPolarHBondContact O-CB 3.37Å; F324-Y328 PolarHBondContact O-N 3.31Å |
| 325 | H | 65.3 | Low | 71.4 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 55% | 0.551 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.8 | -49.1 | 168.3 | -95.1 | 77.6 | 0 | 0 | 0 | 110.4 | D322 W327 Y328 H329 | D322-H325 CarbonylContact O-C 3.49Å; D322-H325 WeakPolarHBondContact O-CA 3.17Å; D322-H325 WeakPolarHBondContact O-CB 3.37Å; D322-H325 PolarHBondContact O-N 3.02Å; H325-W327 PolarHBondContact O-N 3.11Å; H325-Y328 CarbonylContact O-C 3.58Å; H325-Y328 WeakPolarHBondContact O-CA 3.38Å; H325-Y328 WeakPolarHBondContact O-CB 3.44Å; H325-Y328 PolarHBondContact O-N 2.83Å; H325-H329 AromaticContact CD2-NE2 3.88Å; H325-H329 PolarHBondContact O-CD2 3.13Å; H325-H329 PolarHBondContact O-N 3.13Å |
| 326 | E | 74.3 | Confident | 73.3 | Confident | 134 Ų | 134 | 108.1 Ų | 108.1 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -54 | -51.6 | -179.4 | -69 | 173.4 | 157.7 | 0 | 0 | 112 | D322 Y328 H329 E330 | D322-E326 WeakPolarHBondContact O-CG 3.35Å; D322-E326 PolarHBondContact O-N 3.36Å; E326-Y328 VanDerWaalsContact C-N 3.31Å; E326-Y328 PolarHBondContact O-N 3.23Å; E326-H329 PolarHBondContact O-N 2.79Å; E326-H329 VanDerWaalsContact O-N 3.13Å; E326-E330 WeakPolarHBondContact O-CB 3.45Å; E326-E330 PolarHBondContact O-N 2.95Å |
| 327 | W | 86.8 | Confident | 75.6 | Confident | 143 Ų | 143 | 109.8 Ų | 109.8 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 175.8 | 179.4 | 78.1 | 0 | 0 | 0 | 113.1 | G323 H325 V331 | G323-W327 WeakPolarHBondContact O-CB 3.37Å; G323-W327 PolarHBondContact O-N 3.01Å; H325-W327 PolarHBondContact O-N 3.11Å; W327-V331 HydrophobicContact CD2-CG2 4.04Å; W327-V331 HydrophobicContact CG-CG2 4.46Å; W327-V331 HydrophobicContact CH2-CG2 4.36Å; W327-V331 HydrophobicContact CZ2-CG2 3.76Å; W327-V331 WeakPolarHBondContact O-CB 3.42Å; W327-V331 VanDerWaalsContact O-CG2 3.31Å; W327-V331 WeakPolarHBondContact O-CG2 3.24Å; W327-V331 PolarHBondContact O-N 3.47Å |
| 328 | Y | 83.2 | Confident | 77.6 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 38% | 0.384 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 175.9 | 176.9 | -102.1 | 0 | 0 | 0 | 112.2 | L301 F324 H325 E326 K332 | L301-Y328 HydrophobicContact CD2-CD2 4.28Å; L301-Y328 HydrophobicContact CD2-CE2 4.25Å; F324-Y328 WeakPolarHBondContact O-CB 3.37Å; F324-Y328 PolarHBondContact O-N 3.31Å; H325-Y328 CarbonylContact O-C 3.58Å; H325-Y328 WeakPolarHBondContact O-CA 3.38Å; H325-Y328 WeakPolarHBondContact O-CB 3.44Å; H325-Y328 PolarHBondContact O-N 2.83Å; E326-Y328 VanDerWaalsContact C-N 3.31Å; E326-Y328 PolarHBondContact O-N 3.23Å; Y328-K332 VanDerWaalsContact O-CB 3.25Å; Y328-K332 WeakPolarHBondContact O-CB 3.43Å; Y328-K332 PolarHBondContact O-N 3.35Å |
| 329 | H | 86.1 | Confident | 79 | Confident | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 173.4 | -80.6 | -79.5 | 0 | 0 | 0 | 111.3 | H325 E326 K332 E333 | H325-H329 AromaticContact CD2-NE2 3.88Å; H325-H329 PolarHBondContact O-CD2 3.13Å; H325-H329 PolarHBondContact O-N 3.13Å; E326-H329 PolarHBondContact O-N 2.79Å; E326-H329 VanDerWaalsContact O-N 3.13Å; H329-K332 WeakPolarHBondContact O-CB 3.26Å; H329-K332 PolarHBondContact O-N 2.93Å; H329-E333 WeakPolarHBondContact O-CB 3.13Å; H329-E333 PolarHBondContact O-N 3.31Å |
| 330 | E | 91.1 | Very high | 80.5 | Confident | 100 Ų | 100 | 92.9 Ų | 92.9 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.4 | -51.7 | 174.1 | -171.1 | -158.9 | 174 | 0 | 0 | 111.2 | E326 K332 E333 L334 | E326-E330 WeakPolarHBondContact O-CB 3.45Å; E326-E330 PolarHBondContact O-N 2.95Å; E330-K332 PolarHBondContact O-N 2.95Å; E330-E333 PolarHBondContact O-N 3.47Å; E330-E333 VanDerWaalsContact O-N 3.11Å; E330-L334 HydrophobicContact CG-CD1 3.99Å; E330-L334 HydrophobicContact CG-CG 4.37Å; E330-L334 WeakPolarHBondContact O-CB 3.13Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 2.96Å |
| 331 | V | 92.8 | Very high | 82.1 | Confident | 32 Ų | 32 | 97.9 Ų | 97.9 | 19% | 0.194 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.2 | -27.8 | 178.8 | 167.2 | 0 | 0 | 0 | 0 | 112.4 | W327 R335 | W327-V331 HydrophobicContact CD2-CG2 4.04Å; W327-V331 HydrophobicContact CG-CG2 4.46Å; W327-V331 HydrophobicContact CH2-CG2 4.36Å; W327-V331 HydrophobicContact CZ2-CG2 3.76Å; W327-V331 WeakPolarHBondContact O-CB 3.42Å; W327-V331 VanDerWaalsContact O-CG2 3.31Å; W327-V331 WeakPolarHBondContact O-CG2 3.24Å; W327-V331 PolarHBondContact O-N 3.47Å; V331-R335 VanDerWaalsContact O-CB 3.31Å; V331-R335 WeakPolarHBondContact O-CB 3.18Å; V331-R335 PolarHBondContact O-N 3.01Å |
| 332 | K | 93.3 | Very high | 83.6 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.3 | -46.6 | 171.6 | -175.9 | -170 | 173.2 | -160.7 | 0 | 110.9 | Y328 H329 E330 R335 E336 | Y328-K332 VanDerWaalsContact O-CB 3.25Å; Y328-K332 WeakPolarHBondContact O-CB 3.43Å; Y328-K332 PolarHBondContact O-N 3.35Å; H329-K332 WeakPolarHBondContact O-CB 3.26Å; H329-K332 PolarHBondContact O-N 2.93Å; E330-K332 PolarHBondContact O-N 2.95Å; K332-R335 WeakPolarHBondContact O-CB 3.41Å; K332-R335 PolarHBondContact O-N 3.34Å; K332-E336 PolarHBondContact O-N 3.49Å |
| 333 | E | 93.5 | Very high | 84.8 | Confident | 88 Ų | 88 | 99.7 Ų | 99.7 | 41% | 0.411 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 178.4 | -168.1 | -169.1 | -163.7 | 0 | 0 | 111.8 | H329 E330 R335 E336 R337 | H329-E333 WeakPolarHBondContact O-CB 3.13Å; H329-E333 PolarHBondContact O-N 3.31Å; E330-E333 PolarHBondContact O-N 3.47Å; E330-E333 VanDerWaalsContact O-N 3.11Å; E333-R335 VanDerWaalsContact C-N 3.31Å; E333-R335 PolarHBondContact O-N 3.41Å; E333-E336 PolarHBondContact O-N 3.42Å; E333-R337 WeakPolarHBondContact O-CB 3.12Å; E333-R337 WeakPolarHBondContact O-CG 3.44Å; E333-R337 PolarHBondContact O-N 2.87Å; E333-R337 IonicContact OE1-CZ 2.69Å; E333-R337 IonicContact OE1-NH1 3.93Å; E333-R337 PolarHBondContact OE1-NH1 3.45Å; E333-R337 VanDerWaalsContact OE1-NH1 3.14Å; E333-R337 IonicContact OE1-NH2 2.86Å; E333-R337 PolarHBondContact OE1-NH2 3.28Å; E333-R337 IonicContact OE2-CZ 3.88Å; E333-R337 IonicContact OE2-NH1 3.72Å; E333-R337 PolarHBondContact OE2-NH1 3.04Å; E333-R337 IonicContact OE2-NH2 3.14Å |
| 334 | L | 95.4 | Very high | 85.7 | Confident | 86 Ų | 86 | 107 Ų | 107 | 45% | 0.45 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 173.4 | -71.9 | 172.8 | 0 | 0 | 0 | 111.9 | E330 A338 | E330-L334 HydrophobicContact CG-CD1 3.99Å; E330-L334 HydrophobicContact CG-CG 4.37Å; E330-L334 WeakPolarHBondContact O-CB 3.13Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 2.96Å; L334-A338 VanDerWaalsContact O-CB 3.26Å; L334-A338 WeakPolarHBondContact O-CB 3.38Å; L334-A338 PolarHBondContact O-N 3.46Å |
| 335 | R | 96.1 | Very high | 86.2 | Confident | 144 Ų | 144 | 107.9 Ų | 107.9 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 174.7 | -171.6 | 175.6 | -63.8 | 109 | 5 | 111.7 | V331 K332 E333 A338 E339 | V331-R335 VanDerWaalsContact O-CB 3.31Å; V331-R335 WeakPolarHBondContact O-CB 3.18Å; V331-R335 PolarHBondContact O-N 3.01Å; K332-R335 WeakPolarHBondContact O-CB 3.41Å; K332-R335 PolarHBondContact O-N 3.34Å; E333-R335 VanDerWaalsContact C-N 3.31Å; E333-R335 PolarHBondContact O-N 3.41Å; R335-A338 PolarHBondContact O-N 3.34Å; R335-E339 PolarHBondContact O-N 3.2Å |
| 336 | E | 94.2 | Very high | 86.2 | Confident | 131 Ų | 131 | 110.4 Ų | 110.4 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.1 | -44.3 | 175 | -178.9 | 160 | -161.4 | 0 | 0 | 112.2 | K332 E333 A338 E339 A340 | K332-E336 PolarHBondContact O-N 3.49Å; E333-E336 PolarHBondContact O-N 3.42Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.97Å; E336-E339 CarbonylContact O-C 3.57Å; E336-E339 PolarHBondContact O-N 3.5Å; E336-E339 VanDerWaalsContact O-N 3.15Å; E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 3.3Å |
| 337 | R | 93.4 | Very high | 86 | Confident | 119 Ų | 119 | 105.9 Ų | 105.9 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 169.6 | -77.4 | -178 | 172.8 | 117.6 | 12.6 | 111 | E333 E339 A340 Y341 | E333-R337 WeakPolarHBondContact O-CB 3.12Å; E333-R337 WeakPolarHBondContact O-CG 3.44Å; E333-R337 PolarHBondContact O-N 2.87Å; E333-R337 IonicContact OE1-CZ 2.69Å; E333-R337 IonicContact OE1-NH1 3.93Å; E333-R337 PolarHBondContact OE1-NH1 3.45Å; E333-R337 VanDerWaalsContact OE1-NH1 3.14Å; E333-R337 IonicContact OE1-NH2 2.86Å; E333-R337 PolarHBondContact OE1-NH2 3.28Å; E333-R337 IonicContact OE2-CZ 3.88Å; E333-R337 IonicContact OE2-NH1 3.72Å; E333-R337 PolarHBondContact OE2-NH1 3.04Å; E333-R337 IonicContact OE2-NH2 3.14Å; R337-E339 VanDerWaalsContact C-N 3.31Å; R337-E339 PolarHBondContact O-N 2.83Å; R337-A340 WeakPolarHBondContact O-CB 3.48Å; R337-A340 PolarHBondContact O-N 3.09Å; R337-A340 VanDerWaalsContact O-N 3.08Å; R337-Y341 HydrophobicContact CB-CD2 4.49Å; R337-Y341 HydrophobicContact CB-CE2 4.41Å; R337-Y341 WeakPolarHBondContact O-CD2 3.31Å; R337-Y341 PolarHBondContact O-N 3.05Å |
| 338 | A | 90.4 | Very high | 85.2 | Confident | 58 Ų | 58 | 105.5 Ų | 105.5 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L334 R335 E336 K342 | L334-A338 VanDerWaalsContact O-CB 3.26Å; L334-A338 WeakPolarHBondContact O-CB 3.38Å; L334-A338 PolarHBondContact O-N 3.46Å; R335-A338 PolarHBondContact O-N 3.34Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.97Å; A338-K342 WeakPolarHBondContact O-CB 3.33Å; A338-K342 PolarHBondContact O-N 2.85Å |
| 339 | E | 88.1 | Confident | 84.2 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 170.8 | -76 | -162.6 | -172.8 | 0 | 0 | 113.3 | R335 E336 R337 K342 K343 | R335-E339 PolarHBondContact O-N 3.2Å; E336-E339 CarbonylContact O-C 3.57Å; E336-E339 PolarHBondContact O-N 3.5Å; E336-E339 VanDerWaalsContact O-N 3.15Å; R337-E339 VanDerWaalsContact C-N 3.31Å; R337-E339 PolarHBondContact O-N 2.83Å; E339-K342 PolarHBondContact O-N 3.46Å; E339-K343 WeakPolarHBondContact O-CB 3.44Å; E339-K343 WeakPolarHBondContact O-CD 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.41Å; E339-K343 PolarHBondContact O-N 3.21Å; E339-K343 IonicContact OE2-NZ 2.6Å |
| 340 | A | 85.3 | Confident | 83.1 | Confident | 51 Ų | 51 | 106.5 Ų | 106.5 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E336 R337 K342 K343 R344 | E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 3.3Å; R337-A340 WeakPolarHBondContact O-CB 3.48Å; R337-A340 PolarHBondContact O-N 3.09Å; R337-A340 VanDerWaalsContact O-N 3.08Å; A340-K342 VanDerWaalsContact C-N 3.34Å; A340-K342 PolarHBondContact O-N 3.18Å; A340-K343 PolarHBondContact O-N 3.02Å; A340-R344 WeakPolarHBondContact O-CB 3.4Å; A340-R344 PolarHBondContact O-N 2.96Å |
| 341 | Y | 87.7 | Confident | 82.4 | Confident | 158 Ų | 158 | 104.1 Ų | 104.1 | 62% | 0.62 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 171.8 | -77.4 | -65.1 | 0 | 0 | 0 | 111.6 | R337 R344 A345 | R337-Y341 HydrophobicContact CB-CD2 4.49Å; R337-Y341 HydrophobicContact CB-CE2 4.41Å; R337-Y341 WeakPolarHBondContact O-CD2 3.31Å; R337-Y341 PolarHBondContact O-N 3.05Å; Y341-R344 PolarHBondContact O-N 3.08Å; Y341-A345 WeakPolarHBondContact O-CB 3.42Å; Y341-A345 PolarHBondContact O-N 2.81Å |
| 342 | K | 84.6 | Confident | 81.9 | Confident | 104 Ų | 104 | 112.3 Ų | 112.3 | 45% | 0.452 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.4 | 177.4 | 179.3 | 176.2 | -176.6 | 0 | 112.2 | A338 E339 A340 W346 | A338-K342 WeakPolarHBondContact O-CB 3.33Å; A338-K342 PolarHBondContact O-N 2.85Å; E339-K342 PolarHBondContact O-N 3.46Å; A340-K342 VanDerWaalsContact C-N 3.34Å; A340-K342 PolarHBondContact O-N 3.18Å; K342-W346 HydrophobicContact CD-CH2 4.39Å; K342-W346 HydrophobicContact CD-CZ2 4.21Å; K342-W346 VanDerWaalsContact CE-CH2 3.44Å; K342-W346 HydrophobicContact CG-CD2 4.17Å; K342-W346 HydrophobicContact CG-CH2 4.24Å; K342-W346 HydrophobicContact CG-CZ2 3.83Å; K342-W346 WeakPolarHBondContact O-CB 3.41Å; K342-W346 PolarHBondContact O-N 3.42Å |
| 343 | K | 81.4 | Confident | 81.2 | Confident | 107 Ų | 107 | 114.8 Ų | 114.8 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -49.2 | 173.3 | -72.1 | 161.2 | -171.4 | 166.1 | 0 | 110.8 | E339 A340 A345 W346 H349 | E339-K343 WeakPolarHBondContact O-CB 3.44Å; E339-K343 WeakPolarHBondContact O-CD 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.41Å; E339-K343 PolarHBondContact O-N 3.21Å; E339-K343 IonicContact OE2-NZ 2.6Å; A340-K343 PolarHBondContact O-N 3.02Å; K343-A345 PolarHBondContact O-N 3.12Å; K343-W346 PolarHBondContact O-N 3Å; K343-H349 PolarHBondContact O-CE1 3.02Å |
| 344 | R | 77.6 | Confident | 80.7 | Confident | 198 Ų | 198 | 114 Ų | 114 | 75% | 0.747 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 178.9 | -172 | 177.1 | -71.2 | 172.9 | -2.6 | 112.7 | A340 Y341 W346 G347 | A340-R344 WeakPolarHBondContact O-CB 3.4Å; A340-R344 PolarHBondContact O-N 2.96Å; Y341-R344 PolarHBondContact O-N 3.08Å; R344-W346 VanDerWaalsContact C-N 3.3Å; R344-W346 PolarHBondContact O-N 3.36Å; R344-G347 PolarHBondContact O-N 3.4Å; R344-G347 VanDerWaalsContact O-N 3.11Å |
| 345 | A | 68.9 | Low | 80.1 | Confident | 86 Ų | 86 | 113.1 Ų | 113.1 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.9 | -19.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y341 K343 | Y341-A345 WeakPolarHBondContact O-CB 3.42Å; Y341-A345 PolarHBondContact O-N 2.81Å; K343-A345 PolarHBondContact O-N 3.12Å |
| 346 | W | 66.4 | Low | 79.6 | Confident | 172 Ų | 172 | 110.7 Ų | 110.7 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1.6 | 168.6 | -71.6 | -5.2 | 0 | 0 | 0 | 113.4 | K342 K343 R344 | K342-W346 HydrophobicContact CD-CH2 4.39Å; K342-W346 HydrophobicContact CD-CZ2 4.21Å; K342-W346 VanDerWaalsContact CE-CH2 3.44Å; K342-W346 HydrophobicContact CG-CD2 4.17Å; K342-W346 HydrophobicContact CG-CH2 4.24Å; K342-W346 HydrophobicContact CG-CZ2 3.83Å; K342-W346 WeakPolarHBondContact O-CB 3.41Å; K342-W346 PolarHBondContact O-N 3.42Å; K343-W346 PolarHBondContact O-N 3Å; R344-W346 VanDerWaalsContact C-N 3.3Å; R344-W346 PolarHBondContact O-N 3.36Å |
| 347 | G | 69.1 | Low | 79.2 | Confident | 40 Ų | 40 | 110.3 Ų | 110.3 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | trans | 67.7 | -168.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R344 H349 | R344-G347 PolarHBondContact O-N 3.4Å; R344-G347 VanDerWaalsContact O-N 3.11Å; G347-H349 PolarHBondContact O-N 3.23Å; G347-H349 PolarHBondContact O-ND1 3.31Å | ||
| 348 | T | 69.8 | Low | 78.7 | Confident | 135 Ų | 135 | 108.1 Ų | 108.1 | 83% | 0.828 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -53.6 | 123.1 | 167 | 41.1 | 0 | 0 | 0 | 0 | 108.6 | F350 | T348-F350 VanDerWaalsContact C-N 3.29Å; T348-F350 PolarHBondContact O-N 3.11Å |
| 349 | H | 63.1 | Low | 78.2 | Confident | 104 Ų | 104 | 111.2 Ų | 111.2 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | trans | -72.8 | 83.5 | -168.9 | -74.3 | -3 | 0 | 0 | 0 | 111.3 | K343 G347 S351 | K343-H349 PolarHBondContact O-CE1 3.02Å; G347-H349 PolarHBondContact O-N 3.23Å; G347-H349 PolarHBondContact O-ND1 3.31Å; H349-S351 PolarHBondContact O-N 2.79Å | ||
| 350 | F | 62.3 | Low | 78.2 | Confident | 118 Ų | 118 | 108.6 Ų | 108.6 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | trans | -69.1 | 72.2 | 176.1 | -153.8 | -82.4 | 0 | 0 | 0 | 110.4 | T348 H354 L355 I358 | T348-F350 VanDerWaalsContact C-N 3.29Å; T348-F350 PolarHBondContact O-N 3.11Å; F350-H354 AromaticContact CD2-CD2 3.54Å; F350-H354 AromaticContact CE2-CD2 3.74Å; F350-L355 HydrophobicContact CD1-CB 4.45Å; F350-L355 HydrophobicContact CE1-CB 3.77Å; F350-L355 HydrophobicContact CE1-CD1 3.76Å; F350-L355 HydrophobicContact CE1-CG 4.38Å; F350-L355 HydrophobicContact CZ-CD1 4.33Å; F350-I358 HydrophobicContact CE2-CD1 3.47Å; F350-I358 VanDerWaalsContact CE2-CD1 3.47Å; F350-I358 HydrophobicContact CZ-CD1 3.61Å | ||
| 351 | S | 78.1 | Confident | 78 | Confident | 50 Ų | 50 | 113.2 Ų | 113.2 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | trans | -68.9 | 160.5 | 179.7 | 76.8 | 0 | 0 | 0 | 0 | 109.9 | H349 Q353 H354 L355 | H349-S351 PolarHBondContact O-N 2.79Å; S351-Q353 PolarHBondContact O-N 3.07Å; S351-Q353 PolarHBondContact OG-N 3.22Å; S351-H354 PolarHBondContact O-N 3.35Å; S351-H354 PolarHBondContact OG-N 3.43Å; S351-L355 PolarHBondContact O-N 2.92Å | ||
| 352 | R | 80.4 | Confident | 77.7 | Confident | 203 Ų | 203 | 111.7 Ų | 111.7 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -21.3 | 172.4 | -172.1 | 168.9 | 177.1 | 175.3 | 0.9 | 112.5 | N356 | R352-N356 VanDerWaalsContact O-CB 3.29Å; R352-N356 WeakPolarHBondContact O-CB 3.3Å; R352-N356 VanDerWaalsContact O-CG 3.23Å; R352-N356 PolarHBondContact O-N 3.4Å; R352-N356 PolarHBondContact O-OD1 3.46Å |
| 353 | Q | 79.3 | Confident | 77.5 | Confident | 165 Ų | 165 | 108.8 Ų | 108.8 | 77% | 0.771 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.8 | -37.3 | 172 | -69.9 | 167.6 | -58.1 | 0 | 0 | 111.4 | S351 N356 Q357 | S351-Q353 PolarHBondContact O-N 3.07Å; S351-Q353 PolarHBondContact OG-N 3.22Å; Q353-N356 CarbonylContact O-C 3.54Å; Q353-N356 PolarHBondContact O-N 2.77Å; Q353-Q357 WeakPolarHBondContact O-CB 3.5Å; Q353-Q357 PolarHBondContact O-N 2.77Å |
| 354 | H | 82.6 | Confident | 77.1 | Confident | 72 Ų | 72 | 112.1 Ų | 112.1 | 33% | 0.333 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.5 | -37.7 | 174.7 | -170.5 | 51 | 0 | 0 | 0 | 112.2 | F350 S351 N356 Q357 I358 | F350-H354 AromaticContact CD2-CD2 3.54Å; F350-H354 AromaticContact CE2-CD2 3.74Å; S351-H354 PolarHBondContact O-N 3.35Å; S351-H354 PolarHBondContact OG-N 3.43Å; H354-N356 VanDerWaalsContact C-N 3.34Å; H354-N356 PolarHBondContact O-N 2.87Å; H354-Q357 PolarHBondContact ND1-OE1 3.23Å; H354-Q357 WeakPolarHBondContact O-CB 3.18Å; H354-Q357 PolarHBondContact O-N 2.8Å; H354-Q357 VanDerWaalsContact O-N 3.08Å; H354-I358 PolarHBondContact O-N 2.94Å |
| 355 | L | 83.5 | Confident | 77.1 | Confident | 66 Ų | 66 | 107.6 Ų | 107.6 | 35% | 0.346 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -54.9 | -50.4 | 166.1 | 179.6 | 75.2 | 0 | 0 | 0 | 110.7 | F350 S351 Q357 I358 L359 | F350-L355 HydrophobicContact CD1-CB 4.45Å; F350-L355 HydrophobicContact CE1-CB 3.77Å; F350-L355 HydrophobicContact CE1-CD1 3.76Å; F350-L355 HydrophobicContact CE1-CG 4.38Å; F350-L355 HydrophobicContact CZ-CD1 4.33Å; S351-L355 PolarHBondContact O-N 2.92Å; L355-Q357 PolarHBondContact O-N 3.42Å; L355-I358 PolarHBondContact O-N 3.23Å; L355-L359 HydrophobicContact CD1-CD1 3.75Å; L355-L359 HydrophobicContact CD1-CG 4.2Å; L355-L359 HydrophobicContact CD2-CD1 4.49Å; L355-L359 HydrophobicContact CG-CD1 3.91Å; L355-L359 HydrophobicContact CG-CG 4.42Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.15Å |
| 356 | N | 85.9 | Confident | 77.3 | Confident | 94 Ų | 94 | 113.5 Ų | 113.5 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -12.6 | 177.8 | -78.6 | 37 | 0 | 0 | 0 | 113.9 | R352 Q353 H354 S360 | R352-N356 VanDerWaalsContact O-CB 3.29Å; R352-N356 WeakPolarHBondContact O-CB 3.3Å; R352-N356 VanDerWaalsContact O-CG 3.23Å; R352-N356 PolarHBondContact O-N 3.4Å; R352-N356 PolarHBondContact O-OD1 3.46Å; Q353-N356 CarbonylContact O-C 3.54Å; Q353-N356 PolarHBondContact O-N 2.77Å; H354-N356 VanDerWaalsContact C-N 3.34Å; H354-N356 PolarHBondContact O-N 2.87Å; N356-S360 WeakPolarHBondContact O-CB 3.31Å; N356-S360 PolarHBondContact O-N 2.86Å |
| 357 | Q | 84.8 | Confident | 77.7 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -86 | -43.6 | 175.2 | -175.4 | -176.4 | 8.2 | 0 | 0 | 110.2 | Q353 H354 L355 S360 | Q353-Q357 WeakPolarHBondContact O-CB 3.5Å; Q353-Q357 PolarHBondContact O-N 2.77Å; H354-Q357 PolarHBondContact ND1-OE1 3.23Å; H354-Q357 WeakPolarHBondContact O-CB 3.18Å; H354-Q357 PolarHBondContact O-N 2.8Å; H354-Q357 VanDerWaalsContact O-N 3.08Å; L355-Q357 PolarHBondContact O-N 3.42Å; Q357-S360 WeakPolarHBondContact O-CB 3.44Å; Q357-S360 PolarHBondContact O-N 3.14Å |
| 358 | I | 83.6 | Confident | 77.5 | Confident | 73 Ų | 73 | 114.3 Ų | 114.3 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.3 | -37.7 | 175.1 | -66.6 | 161.1 | 0 | 0 | 0 | 111 | F350 H354 L355 S360 | F350-I358 HydrophobicContact CE2-CD1 3.47Å; F350-I358 VanDerWaalsContact CE2-CD1 3.47Å; F350-I358 HydrophobicContact CZ-CD1 3.61Å; H354-I358 PolarHBondContact O-N 2.94Å; L355-I358 PolarHBondContact O-N 3.23Å; I358-S360 VanDerWaalsContact C-N 3.25Å; I358-S360 PolarHBondContact O-N 2.66Å |
| 359 | L | 80.3 | Confident | 76.9 | Confident | 123 Ų | 123 | 112.4 Ų | 112.4 | 64% | 0.644 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 22.7 | 169.8 | -55.7 | -177.9 | 0 | 0 | 0 | 112.4 | L355 | L355-L359 HydrophobicContact CD1-CD1 3.75Å; L355-L359 HydrophobicContact CD1-CG 4.2Å; L355-L359 HydrophobicContact CD2-CD1 4.49Å; L355-L359 HydrophobicContact CG-CD1 3.91Å; L355-L359 HydrophobicContact CG-CG 4.42Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.15Å |
| 360 | S | 87.9 | Confident | 76.3 | Confident | 38 Ų | 38 | 112.8 Ų | 112.8 | 27% | 0.266 | 56% | 0.559 | S | S | . | * | trans | -77.6 | 130.8 | 165.3 | -172 | 0 | 0 | 0 | 0 | 107.3 | N356 Q357 I358 Q362 N363 | N356-S360 WeakPolarHBondContact O-CB 3.31Å; N356-S360 PolarHBondContact O-N 2.86Å; Q357-S360 WeakPolarHBondContact O-CB 3.44Å; Q357-S360 PolarHBondContact O-N 3.14Å; I358-S360 VanDerWaalsContact C-N 3.25Å; I358-S360 PolarHBondContact O-N 2.66Å; S360-Q362 PolarHBondContact O-N 3.44Å; S360-N363 VanDerWaalsContact O-CB 3.26Å; S360-N363 WeakPolarHBondContact O-CB 3.48Å; S360-N363 PolarHBondContact O-N 3.49Å | ||
| 361 | D | 81.6 | Confident | 75.8 | Confident | 149 Ų | 149 | 110.9 Ų | 110.9 | 80% | 0.797 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -53.4 | -34.8 | 177.2 | -49 | -52.6 | 0 | 0 | 0 | 110.7 | N363 W364 | D361-N363 PolarHBondContact O-N 3.02Å; D361-W364 PolarHBondContact O-N 3.49Å |
| 362 | Q | 80.7 | Confident | 74 | Confident | 125 Ų | 125 | 114.9 Ų | 114.9 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -57.9 | -10.6 | 175.1 | -64.9 | 178.6 | -20.9 | 0 | 0 | 115.3 | S360 W364 M365 | S360-Q362 PolarHBondContact O-N 3.44Å; Q362-W364 PolarHBondContact O-N 2.69Å; Q362-M365 HydrophobicContact CB-CE 4.04Å; Q362-M365 HydrophobicContact CG-CE 4.41Å; Q362-M365 PolarHBondContact O-N 3.24Å; Q362-M365 VanDerWaalsContact O-N 3.13Å |
| 363 | N | 81.1 | Confident | 72.2 | Confident | 44 Ų | 44 | 110.6 Ų | 110.6 | 24% | 0.235 | 60% | 0.597 | C | S | . | * | G | 310 helix | trans | -64.2 | -17.4 | 173.7 | -161 | 76.5 | 0 | 0 | 0 | 112.2 | S360 D361 M365 W366 E367 | S360-N363 VanDerWaalsContact O-CB 3.26Å; S360-N363 WeakPolarHBondContact O-CB 3.48Å; S360-N363 PolarHBondContact O-N 3.49Å; D361-N363 PolarHBondContact O-N 3.02Å; N363-M365 PolarHBondContact O-N 3.06Å; N363-M365 VanDerWaalsContact O-N 3.13Å; N363-W366 PolarHBondContact O-N 2.82Å; N363-E367 PolarHBondContact ND2-OE1 3.02Å; N363-E367 PolarHBondContact O-N 3.44Å |
| 364 | W | 72.5 | Confident | 70.4 | Confident | 176 Ų | 176 | 107.7 Ų | 107.7 | 67% | 0.667 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -57.2 | -25.1 | 170.1 | 77.5 | -109.1 | 0 | 0 | 0 | 113.4 | D361 Q362 W366 | D361-W364 PolarHBondContact O-N 3.49Å; Q362-W364 PolarHBondContact O-N 2.69Å; W364-W366 VanDerWaalsContact C-N 3.3Å |
| 365 | M | 77.1 | Confident | 68.2 | Low | 103 Ų | 103 | 109 Ų | 109 | 51% | 0.507 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -82.6 | -5.3 | 176.1 | -55.3 | -174 | -56 | 0 | 0 | 113.6 | Q362 N363 | Q362-M365 HydrophobicContact CB-CE 4.04Å; Q362-M365 HydrophobicContact CG-CE 4.41Å; Q362-M365 PolarHBondContact O-N 3.24Å; Q362-M365 VanDerWaalsContact O-N 3.13Å; N363-M365 PolarHBondContact O-N 3.06Å; N363-M365 VanDerWaalsContact O-N 3.13Å |
| 366 | W | 72.9 | Confident | 66.2 | Low | 211 Ų | 211 | 111.7 Ų | 111.7 | 80% | 0.799 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | -22.4 | -176.6 | -66.7 | 94.5 | 0 | 0 | 0 | 113.1 | N363 W364 | N363-W366 PolarHBondContact O-N 2.82Å; W364-W366 VanDerWaalsContact C-N 3.3Å |
| 367 | E | 75.9 | Confident | 64.1 | Low | 117 Ų | 117 | 115 Ų | 115 | 55% | 0.547 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -59 | 138.8 | 156.5 | -62.7 | -54.3 | 144.7 | 0 | 0 | 109.1 | N363 S369 | N363-E367 PolarHBondContact ND2-OE1 3.02Å; N363-E367 PolarHBondContact O-N 3.44Å; E367-S369 PolarHBondContact O-N 2.88Å |
| 368 | P | 65 | Low | 62 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | trans | -69.6 | 97.2 | 176.1 | 28.5 | -33.1 | 0 | 0 | 0 | 109.2 | S370 | P368-S370 PolarHBondContact O-N 3.21Š| ||
| 369 | S | 56.9 | Low | 59.9 | Low | 95 Ų | 95 | 119.3 Ų | 119.3 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | -45 | 105.6 | 172.7 | -66.7 | 0 | 0 | 0 | 0 | 110 | E367 G371 | E367-S369 PolarHBondContact O-N 2.88Å; S369-G371 PolarHBondContact O-N 3.48Å; S369-G371 VanDerWaalsContact O-N 3.11Å | ||
| 370 | S | 49.3 | Very low | 58 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | trans | -61.7 | 118.6 | 179.2 | -67.4 | 0 | 0 | 0 | 0 | 108 | P368 T372 | P368-S370 PolarHBondContact O-N 3.21Å; S370-T372 PolarHBondContact O-N 2.93Å | ||
| 371 | G | 51.7 | Low | 55.7 | Low | 78 Ų | 78 | 124.9 Ų | 124.9 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -71.7 | 71 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S369 | S369-G371 PolarHBondContact O-N 3.48Å; S369-G371 VanDerWaalsContact O-N 3.11Å | ||
| 372 | T | 40.1 | Very low | 53.4 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -112.4 | 76 | 170 | -51.3 | 0 | 0 | 0 | 0 | 108.3 | S370 | S370-T372 PolarHBondContact O-N 2.93Š| ||
| 373 | S | 43.2 | Very low | 51.4 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -71 | 144.4 | 176.7 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 374 | S | 40.8 | Very low | 49.4 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | 95.1 | 141.3 | 150.8 | -162.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 375 | S | 37.4 | Very low | 47.7 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | 61.5 | 110.1 | 147.6 | 44.3 | 0 | 0 | 0 | 0 | 119.6 | I377 | S375-I377 PolarHBondContact O-N 3.17Š| ||
| 376 | S | 41.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -55 | 126.1 | 150.9 | -35.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 377 | I | 41.5 | Very low | 44.5 | Very low | 162 Ų | 162 | 125 Ų | 125 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -134.3 | 152.4 | 139.9 | 56.8 | 172.1 | 0 | 0 | 0 | 108.1 | S375 | S375-I377 PolarHBondContact O-N 3.17Š| ||
| 378 | E | 41.4 | Very low | 43.2 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -84.7 | 175.8 | 173.1 | -60 | 173.8 | 127.7 | 0 | 0 | 110.4 | ||||
| 379 | S | 39 | Very low | 42.3 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 97.8 | 119.9 | 165.8 | -40.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 380 | E | 41 | Very low | 41.7 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 62.8 | 110.8 | 135.7 | -58.4 | -168.8 | 158.7 | 0 | 0 | 122.3 | ||||
| 381 | A | 39.7 | Very low | 41.7 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | 53.6 | 122.1 | 123.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 382 | C | 33.8 | Very low | 41.5 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 66% | 0.655 | 79% | 0.786 | S | S | * | * | trans | 85.8 | 94.8 | 146.1 | -68.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 383 | R | 37.7 | Very low | 41.9 | Very low | 216 Ų | 216 | 137 Ų | 137 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | 86.4 | 140.9 | 131.1 | -59.5 | -178 | 178.8 | 97.9 | 0.6 | 119.9 | ||||
| 384 | S | 38.6 | Very low | 42.4 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 64.2 | 119.8 | 163.7 | -57.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 385 | T | 36.8 | Very low | 42.5 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -142 | -176.3 | 44.7 | 40 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 386 | S | 46.3 | Very low | 42.5 | Very low | 82 Ų | 82 | 144.3 Ų | 144.3 | 57% | 0.573 | 79% | 0.79 | S | S | * | * | trans | -50.8 | 160.6 | 167.4 | 47.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 387 | H | 37.7 | Very low | 42.1 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | cis | -147 | 133.9 | 42 | -49.9 | -93.6 | 0 | 0 | 0 | 114.2 | ||||
| 388 | I | 48.2 | Very low | 41.9 | Very low | 167 Ų | 167 | 139 Ų | 139 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -114.5 | 133.6 | 157.3 | -67.2 | 175.3 | 0 | 0 | 0 | 106 | E390 | I388-E390 PolarHBondContact O-N 3.08Å; I388-E390 VanDerWaalsContact O-N 3.11Å | ||
| 389 | I | 45.9 | Very low | 41.6 | Very low | 162 Ų | 162 | 136 Ų | 136 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -78 | 102.2 | -171.2 | -60.7 | 175.4 | 0 | 0 | 0 | 109.8 | A391 | I389-A391 PolarHBondContact O-N 3Š| ||
| 390 | E | 45.1 | Very low | 41.5 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -71.6 | 113.1 | 176.3 | -169.8 | 167.4 | -143.4 | 0 | 0 | 110.5 | I388 L392 | I388-E390 PolarHBondContact O-N 3.08Å; I388-E390 VanDerWaalsContact O-N 3.11Å; E390-L392 PolarHBondContact O-N 3Å | ||
| 391 | A | 47.7 | Very low | 41.4 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -86.1 | 90.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I389 D393 | I389-A391 PolarHBondContact O-N 3Å; A391-D393 PolarHBondContact O-N 2.89Å | ||
| 392 | L | 47.9 | Very low | 40.9 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 28.7 | 62.8 | 154.3 | -78.1 | 153.1 | 0 | 0 | 0 | 117 | E390 L394 | E390-L392 PolarHBondContact O-N 3Å; L392-L394 HydrophobicContact CD2-CD1 4.09Å; L392-L394 HydrophobicContact CD2-CD2 4.46Å; L392-L394 HydrophobicContact CD2-CG 4.23Å; L392-L394 PolarHBondContact O-N 3.25Å | ||
| 393 | D | 48.7 | Very low | 40.8 | Very low | 139 Ų | 139 | 144 Ų | 144 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -90.7 | 86.7 | 165.5 | -169.1 | -2.7 | 0 | 0 | 0 | 110.7 | A391 A395 | A391-D393 PolarHBondContact O-N 2.89Å; D393-A395 PolarHBondContact O-N 3.23Å; D393-A395 VanDerWaalsContact O-N 3.12Å; D393-A395 VanDerWaalsContact OD1-CB 3.29Å; D393-A395 WeakPolarHBondContact OD1-CB 3.41Å; D393-A395 PolarHBondContact OD1-N 3.11Å | ||
| 394 | L | 53.1 | Low | 40.6 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -82.9 | 33.9 | -178 | -66.2 | 173.7 | 0 | 0 | 0 | 113.2 | L392 | L392-L394 HydrophobicContact CD2-CD1 4.09Å; L392-L394 HydrophobicContact CD2-CD2 4.46Å; L392-L394 HydrophobicContact CD2-CG 4.23Å; L392-L394 PolarHBondContact O-N 3.25Å | ||
| 395 | A | 44.3 | Very low | 40.2 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -124.6 | 9.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118 | D393 | D393-A395 PolarHBondContact O-N 3.23Å; D393-A395 VanDerWaalsContact O-N 3.12Å; D393-A395 VanDerWaalsContact OD1-CB 3.29Å; D393-A395 WeakPolarHBondContact OD1-CB 3.41Å; D393-A395 PolarHBondContact OD1-N 3.11Å |
| 396 | R | 36 | Very low | 40.5 | Very low | 231 Ų | 231 | 139.2 Ų | 139.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -156.1 | 89.3 | 161.3 | -173.4 | 157.2 | -78.8 | 171.6 | -6 | 114.6 | ||||
| 397 | A | 34.8 | Very low | 39.5 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -87.9 | 138.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 398 | G | 36.4 | Very low | 39.2 | Very low | 67 Ų | 67 | 138.9 Ų | 138.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 96 | 135.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 399 | S | 34.4 | Very low | 38.4 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | cis | -165.9 | 176.3 | -9.7 | -163.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 400 | V | 37.8 | Very low | 37.6 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 72.7 | 127.9 | 168.1 | -174.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 401 | R | 38.4 | Very low | 36.9 | Very low | 223 Ų | 223 | 129.1 Ų | 129.1 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -85.9 | 143.6 | 165.1 | -62.2 | -177.2 | -74.6 | -159.6 | -4.6 | 108.8 | ||||
| 402 | E | 28.8 | Very low | 36.1 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | -163 | 156.8 | 126.9 | -136.6 | 70.2 | -86.3 | 0 | 0 | 110 | |||||
| 403 | S | 32.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -116 | 125.2 | -178.4 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 404 | S | 32.7 | Very low | 34.4 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -168.2 | 157.8 | 151.7 | 34.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 405 | S | 31.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -125.3 | -176.7 | 168.8 | 67.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 406 | P | 42.7 | Very low | 32.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | cis | -129.8 | 174.3 | -14.5 | 38.3 | -23 | 0 | 0 | 0 | 113.8 | ||||
| 407 | G | 25.6 | Very low | 32.3 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 126.9 | 158.9 | 139.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 408 | H | 30.8 | Very low | 32.1 | Very low | 181 Ų | 181 | 133 Ų | 133 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 62.2 | 92 | 156.1 | -57.7 | -76.5 | 0 | 0 | 0 | 121.4 | ||||
| 409 | S | 31.8 | Very low | 32 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | 49.8 | 133.7 | 118.3 | -55.1 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 410 | A | 29.6 | Very low | 31.8 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 85.6 | 91.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 411 | S | 29.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 90 | 154.8 | 113 | 84.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 412 | V | 30.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 131 Ų | 131 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | 74.7 | 98.9 | 157.7 | -174.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 413 | V | 29 | Very low | 31.6 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | 25.2 | 153.1 | 124.3 | -152.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 414 | V | 32.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 94 | 112.7 | 162.4 | -171.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 415 | S | 30 | Very low | 31.9 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | cis | 80.7 | 107.8 | 25 | -167.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 416 | R | 28.9 | Very low | 33.1 | Very low | 227 Ų | 227 | 128.7 Ų | 128.7 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | 166.1 | 129.8 | 142.4 | -97.2 | 163.7 | -179.7 | -120.6 | 2 | 115 | ||||
| 417 | R | 30.5 | Very low | 32.3 | Very low | 237 Ų | 237 | 132.2 Ų | 132.2 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | 160.7 | 140.3 | 138.7 | -92.2 | 171.5 | -123.2 | -130.4 | 4.5 | 109 | ||||
| 418 | S | 30.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | cis | 72 | 127.7 | 19.8 | 84.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 419 | S | 34.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -169.5 | 155 | 6.8 | 39.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 420 | S | 30.1 | Very low | 33.4 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 12.6 | 138.4 | 152.3 | 60 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 421 | G | 29.1 | Very low | 33.9 | Very low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -173.9 | 138.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 422 | E | 31.8 | Very low | 34.7 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -153.3 | 169.5 | -172.1 | -153.8 | -163.6 | 145.4 | 0 | 0 | 112.2 | ||||
| 423 | V | 38.8 | Very low | 34.8 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 78.6 | 129 | 171.8 | -166.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 424 | G | 30.9 | Very low | 35.2 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | cis | 161.6 | 174 | -11 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 425 | L | 40.8 | Very low | 35.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | 81.4 | 155.2 | 164 | -63.4 | 177.4 | 0 | 0 | 0 | 120.1 | ||||
| 426 | P | 56.7 | Low | 36.2 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -136.7 | 179 | -142.1 | 45.4 | -29.5 | 0 | 0 | 0 | 117.2 | ||||
| 427 | E | 27 | Very low | 36.7 | Very low | 196 Ų | 196 | 147.1 Ų | 147.1 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -157 | 161.8 | 150.4 | -142.7 | 161.2 | -175.2 | 0 | 0 | 112.8 | ||||
| 428 | E | 31.3 | Very low | 37 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -149.6 | 172.9 | -176 | -124.7 | -160.4 | 146.4 | 0 | 0 | 108.2 | ||||
| 429 | P | 46.4 | Very low | 37.1 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 58% | 0.584 | 81% | 0.807 | S | S | * | * | cis | -132.1 | 179.1 | -12.6 | 41 | -25.5 | 0 | 0 | 0 | 114.2 | ||||
| 430 | T | 33 | Very low | 37.1 | Very low | 139 Ų | 139 | 147 Ų | 147 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -155.2 | 134.3 | 155.5 | -66.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 431 | L | 40.1 | Very low | 37.3 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -134.8 | 173 | -174.6 | -60.2 | 175.1 | 0 | 0 | 0 | 110.6 | ||||
| 432 | P | 47.3 | Very low | 37.5 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | -130.7 | 171 | -59.2 | 38.1 | -24.4 | 0 | 0 | 0 | 111.9 | |||||
| 433 | V | 30.8 | Very low | 37.8 | Very low | 150 Ų | 150 | 154 Ų | 154 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -128.4 | 137.8 | 169.3 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 434 | Q | 38.9 | Very low | 37.3 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -64 | 144.7 | -161.9 | -56.8 | 171.2 | -0.7 | 0 | 0 | 116.2 | ||||
| 435 | R | 38.3 | Very low | 37.2 | Very low | 246 Ų | 246 | 159.3 Ų | 159.3 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | -150 | 143.8 | 133.1 | -123.2 | 172.1 | 170.1 | 85.3 | -1.2 | 110.4 | ||||
| 436 | K | 43.3 | Very low | 36.6 | Very low | 197 Ų | 197 | 154.3 Ų | 154.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -81.1 | 130.4 | -162.9 | -59.8 | -175.7 | 178.7 | -173.1 | 0 | 112.8 | ||||
| 437 | L | 39.7 | Very low | 35.4 | Very low | 147 Ų | 147 | 157.7 Ų | 157.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -79.8 | 173.4 | 151.4 | -84.1 | 162.3 | 0 | 0 | 0 | 109.8 | ||||
| 438 | A | 38 | Very low | 35.6 | Very low | 76 Ų | 76 | 157.2 Ų | 157.2 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -124.1 | 137.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||
| 439 | W | 32.7 | Very low | 35.6 | Very low | 247 Ų | 247 | 155.3 Ų | 155.3 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | 75.1 | 64.3 | -175.4 | -45.4 | 102.2 | 0 | 0 | 0 | 115.5 | ||||
| 440 | D | 34.1 | Very low | 34.7 | Very low | 117 Ų | 117 | 158.8 Ų | 158.8 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | trans | -68.1 | 137.7 | 145.1 | -51.2 | -48.6 | 0 | 0 | 0 | 107.3 | ||||
| 441 | E | 34.8 | Very low | 34.5 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | 56.1 | 136 | 86.4 | -56.4 | -167.9 | 173.5 | 0 | 0 | 112.8 | |||||
| 442 | E | 33.7 | Very low | 34 | Very low | 196 Ų | 196 | 157.9 Ų | 157.9 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | cis | -139.4 | 175.7 | 49.2 | -81.1 | 177 | 122.2 | 0 | 0 | 115.6 | ||||
| 443 | E | 36.6 | Very low | 33.3 | Very low | 160 Ų | 160 | 160.4 Ų | 160.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -120.3 | 149.3 | 170.2 | -148.5 | -157.4 | 125.9 | 0 | 0 | 110.5 | ||||
| 444 | Q | 29.4 | Very low | 33.1 | Very low | 147 Ų | 147 | 160.7 Ų | 160.7 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | 86.2 | 147.4 | 158.3 | -55.1 | 173 | 12.9 | 0 | 0 | 121.5 | ||||
| 445 | L | 29.4 | Very low | 33 | Very low | 166 Ų | 166 | 162.4 Ų | 162.4 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 116.6 | 151.6 | -76.8 | 159.4 | 0 | 0 | 0 | 122 | ||||
| 446 | G | 27.8 | Very low | 32.8 | Very low | 64 Ų | 64 | 157.7 Ų | 157.7 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | 118.2 | 83 | 102.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 447 | E | 31.7 | Very low | 32.3 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | 56 | 130.3 | 145.3 | -52.9 | -165.5 | 156 | 0 | 0 | 122.8 | ||||
| 448 | R | 30.2 | Very low | 31.9 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | 116.5 | 114.8 | 123.3 | -157.3 | 165.3 | -177.4 | -77.1 | -11.2 | 118.5 | |||||
| 449 | E | 31.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 156 Ų | 156 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | trans | 66.3 | 150.4 | 153.8 | -82.4 | 158 | -149.2 | 0 | 0 | 118.6 | ||||
| 450 | E | 28.5 | Very low | 31.8 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | -155 | 174.5 | -7.9 | 179.5 | 170 | -160 | 0 | 0 | 108.6 | ||||
| 451 | I | 28.5 | Very low | 31.6 | Very low | 148 Ų | 148 | 149.7 Ų | 149.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 133.5 | 109.8 | 143.2 | -66.4 | 165.3 | 0 | 0 | 0 | 114.9 | ||||
| 452 | V | 29 | Very low | 31.4 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | 29.9 | 111 | 136.7 | -171.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 453 | Q | 32.6 | Very low | 31.2 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | 80.8 | 113.7 | 52.5 | -175.3 | -169.1 | 121.4 | 0 | 0 | 115.2 | |||||
| 454 | D | 26.6 | Very low | 31 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | trans | -153.4 | 175.5 | 141.1 | -150.1 | -11.5 | 0 | 0 | 0 | 111.4 | ||||
| 455 | R | 36.7 | Very low | 31 | Very low | 207 Ų | 207 | 148 Ų | 148 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | -121.5 | 169.9 | -166.5 | -60.7 | 174.5 | 168.6 | -133.7 | -0.9 | 112.9 | ||||
| 456 | L | 33.9 | Very low | 31.1 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | 166.6 | 131.5 | 117.4 | -87.8 | 168.6 | 0 | 0 | 0 | 113.8 | |||||
| 457 | T | 33 | Very low | 31.1 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | trans | 31.7 | 149.4 | 135.3 | 60.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 458 | D | 31.7 | Very low | 31 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | cis | -167.8 | 174.5 | -2.8 | -120.3 | -38.4 | 0 | 0 | 0 | 112.8 | ||||
| 459 | K | 37.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 16.3 | 157.2 | 140.7 | -66.2 | 160.8 | 169.8 | -84.6 | 0 | 121.9 | ||||
| 460 | E | 30.5 | Very low | 31.3 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -166.6 | 158.5 | -1.7 | -120.6 | 167.4 | -142.6 | 0 | 0 | 112.7 | ||||
| 461 | G | 29.5 | Very low | 31.6 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | 77.9 | 178.2 | 145 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 462 | K | 31.7 | Very low | 31.7 | Very low | 182 Ų | 182 | 145 Ų | 145 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | cis | -169.9 | 104.6 | -25.2 | 179.2 | 72.7 | 177.3 | -168.3 | 0 | 112.2 | ||||
| 463 | T | 29.3 | Very low | 31.9 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 61.8 | 177 | 164.8 | 64.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 464 | R | 32 | Very low | 32 | Very low | 204 Ų | 204 | 147.3 Ų | 147.3 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | cis | -149.8 | 162.6 | 10.5 | -172.3 | 175.4 | 157.9 | 160 | -6.2 | 111.4 | E466 | R464-E466 IonicContact CZ-OE1 3.68Å; R464-E466 IonicContact NE-OE1 3.8Å; R464-E466 PolarHBondContact NE-OE1 2.82Å; R464-E466 IonicContact NH2-OE1 2.66Å; R464-E466 PolarHBondContact NH2-OE1 2.85Å | ||
| 465 | N | 29 | Very low | 32.2 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | -79.7 | 162.2 | 175 | -44.3 | -36.4 | 0 | 0 | 0 | 112.8 | ||||
| 466 | E | 32.3 | Very low | 31.7 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | trans | 171.1 | 115.4 | 134.7 | -88.8 | 146.1 | -134.3 | 0 | 0 | 107.1 | R464 | R464-E466 IonicContact CZ-OE1 3.68Å; R464-E466 IonicContact NE-OE1 3.8Å; R464-E466 PolarHBondContact NE-OE1 2.82Å; R464-E466 IonicContact NH2-OE1 2.66Å; R464-E466 PolarHBondContact NH2-OE1 2.85Å | ||
| 467 | N | 28.4 | Very low | 31.5 | Very low | 164 Ų | 164 | 143 Ų | 143 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | 80.9 | 119.2 | 69.1 | -81.3 | -4.3 | 0 | 0 | 0 | 115.3 | |||||
| 468 | G | 27.7 | Very low | 31.5 | Very low | 71 Ų | 71 | 145.1 Ų | 145.1 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | 144.3 | 135 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 469 | M | 33.5 | Very low | 31.3 | Very low | 178 Ų | 178 | 147 Ų | 147 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | 69.3 | 123.8 | 162.6 | -53.6 | -171.1 | -162.1 | 0 | 0 | 116.2 | ||||
| 470 | E | 35.6 | Very low | 31 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | 67.1 | 133.9 | 67.9 | -73.8 | -159.2 | 123.9 | 0 | 0 | 113.1 | |||||
| 471 | R | 33.8 | Very low | 31 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | cis | -153 | -170.6 | 21.9 | -126.4 | 179.4 | -159.3 | 88.4 | 14.9 | 113.3 | ||||
| 472 | N | 31.5 | Very low | 31 | Very low | 110 Ų | 110 | 149 Ų | 149 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | trans | -51.7 | 161 | 172.6 | 53.1 | -44.9 | 0 | 0 | 0 | 114.5 | ||||
| 473 | E | 33.9 | Very low | 31 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 56% | 0.556 | 77% | 0.768 | S | S | * | * | -165.9 | 146.2 | 62.3 | -83.1 | -159.7 | 179 | 0 | 0 | 118.8 | |||||
| 474 | R | 33.6 | Very low | 30.9 | Very low | 214 Ų | 214 | 148.6 Ų | 148.6 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | 64.3 | 160.4 | 133.9 | -66.7 | -173.7 | 171.7 | 124.2 | -5.4 | 123 | ||||
| 475 | L | 30.1 | Very low | 30.7 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -96 | 153.6 | -176 | -61.1 | 158.9 | 0 | 0 | 0 | 111.4 | ||||
| 476 | N | 27.9 | Very low | 30.8 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | -159.1 | 165.9 | 122.3 | -109.5 | -9 | 0 | 0 | 0 | 111.8 | |||||
| 477 | S | 29.1 | Very low | 30.8 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -130 | 169.3 | -168.7 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 478 | L | 32.2 | Very low | 30.9 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 68.4 | 156.3 | 170.8 | -51.5 | 165.6 | 0 | 0 | 0 | 113.1 | ||||
| 479 | E | 28.6 | Very low | 31 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | cis | -149.2 | 163.1 | -13.3 | -121.2 | 158.6 | 155.6 | 0 | 0 | 106.1 | ||||
| 480 | S | 31 | Very low | 31 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 176.2 | 162.6 | 90.2 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 481 | E | 30.6 | Very low | 30.8 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 164.1 | 179.1 | -49.1 | 170.7 | 112.2 | 0 | 0 | 113 | ||||
| 482 | S | 29.1 | Very low | 30.7 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | 175.2 | 166.3 | 130.9 | -82.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 483 | L | 31 | Very low | 31.2 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -123.7 | 140.9 | -167.1 | -65.4 | 158.7 | 0 | 0 | 0 | 113.4 | ||||
| 484 | S | 27.5 | Very low | 31.5 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -170.5 | 149.3 | 148.1 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 485 | S | 27.7 | Very low | 32.1 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | cis | 117.3 | 137.1 | 0.9 | -168.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 486 | A | 31.3 | Very low | 32.7 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 68 | 159 | 179.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 487 | E | 33 | Very low | 34 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -174.1 | 177.1 | -51.6 | -109.1 | -63.4 | 168.6 | 0 | 0 | 107.7 | |||||
| 488 | E | 30.4 | Very low | 35.8 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | 68.2 | 151.4 | 176.2 | -54 | -172.9 | 160.3 | 0 | 0 | 116.5 | ||||
| 489 | G | 28.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | cis | 142.6 | 95.1 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 490 | S | 33.2 | Very low | 39.2 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -171 | 149.3 | 153.8 | -89.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 491 | E | 31.8 | Very low | 41 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -53.7 | 154.6 | 176.2 | -52.3 | 175.4 | 179.8 | 0 | 0 | 113.1 | ||||
| 492 | A | 32.8 | Very low | 42.8 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | -173.7 | 162.3 | 67.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 493 | S | 40.8 | Very low | 44.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -8.3 | 132.7 | 161.3 | -166 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 494 | V | 41.1 | Very low | 46.1 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | 177.9 | 140.9 | 112 | 150.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 495 | N | 45.1 | Very low | 48 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -11.3 | 120.1 | 169 | -62.2 | -33.6 | 0 | 0 | 0 | 119.4 | ||||
| 496 | G | 43.8 | Very low | 49.5 | Very low | 66 Ų | 66 | 140.9 Ų | 140.9 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | trans | 151.5 | 104.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R498 | G496-R498 PolarHBondContact O-N 3.09Š| ||
| 497 | G | 54.8 | Low | 50.5 | Low | 94 Ų | 94 | 144.7 Ų | 144.7 | 97% | 0.969 | 83% | 0.827 | S | S | * | * | trans | -73 | 59.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 498 | R | 67.4 | Low | 51.5 | Low | 230 Ų | 230 | 145.1 Ų | 145.1 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -134.4 | 115 | 174.3 | -68.8 | -176.6 | 180 | -88.6 | 0.5 | 109.9 | G496 | G496-R498 PolarHBondContact O-N 3.09Š| ||
| 499 | L | 64.5 | Low | 52.5 | Low | 165 Ų | 165 | 143.2 Ų | 143.2 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 135.2 | 170.1 | -67.1 | 170.7 | 0 | 0 | 0 | 109.6 | T501 | L499-T501 PolarHBondContact O-N 2.76Š|
| 500 | P | 67.3 | Low | 53.2 | Low | 114 Ų | 114 | 146.3 Ų | 146.3 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 126.8 | 176.9 | 27.3 | -33.5 | 0 | 0 | 0 | 110.2 | P502 | P500-P502 WeakPolarHBondContact O-CD 3.41Š|
| 501 | T | 69.5 | Low | 54.4 | Low | 127 Ų | 127 | 148.8 Ų | 148.8 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 122.4 | -177.4 | -43.5 | 0 | 0 | 0 | 0 | 110.9 | L499 K503 | L499-T501 PolarHBondContact O-N 2.76Å; T501-K503 PolarHBondContact O-N 2.85Å; T501-K503 VanDerWaalsContact O-N 3.16Å |
| 502 | P | 68.6 | Low | 55.2 | Low | 110 Ų | 110 | 151.5 Ų | 151.5 | 71% | 0.714 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 116.2 | -179.6 | 26 | -33.4 | 0 | 0 | 0 | 110.6 | P500 L504 | P500-P502 WeakPolarHBondContact O-CD 3.41Å; P502-L504 PolarHBondContact O-N 2.97Å |
| 503 | K | 67.5 | Low | 56.6 | Low | 204 Ų | 204 | 152.9 Ų | 152.9 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -75 | 112.3 | 176.7 | -68 | -176.3 | 179.1 | 179.3 | 0 | 110 | T501 | T501-K503 PolarHBondContact O-N 2.85Å; T501-K503 VanDerWaalsContact O-N 3.16Å | ||
| 504 | L | 61.1 | Low | 57.4 | Low | 162 Ų | 162 | 156 Ų | 156 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | trans | -67.5 | 137.8 | 173.3 | -63.3 | 175.9 | 0 | 0 | 0 | 110.6 | P502 | P502-L504 PolarHBondContact O-N 2.97Š| ||
| 505 | K | 67.1 | Low | 57.6 | Low | 200 Ų | 200 | 157.6 Ų | 157.6 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | trans | -72.6 | 130.9 | 172.4 | -66.8 | -178.8 | 179.1 | 179.2 | 0 | 109.5 | M507 | K505-M507 PolarHBondContact O-N 3.22Š| ||
| 506 | T | 58.7 | Low | 57.8 | Low | 148 Ų | 148 | 157.5 Ų | 157.5 | 91% | 0.908 | 83% | 0.834 | S | S | * | * | trans | -73.3 | 91.8 | 178.5 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 507 | M | 53.1 | Low | 57.9 | Low | 173 Ų | 173 | 165 Ų | 165 | 85% | 0.852 | 84% | 0.842 | S | S | * | * | trans | -81.2 | 147.1 | 167.3 | -64.5 | -126.2 | 68.3 | 0 | 0 | 110.5 | K505 | K505-M507 PolarHBondContact O-N 3.22Š| ||
| 508 | Q | 53.6 | Low | 57.5 | Low | 183 Ų | 183 | 166.7 Ų | 166.7 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -67.1 | 155.2 | -176 | -69.6 | 170.4 | -20 | 0 | 0 | 112.3 | V510 | Q508-V510 PolarHBondContact O-N 3.47Š| ||
| 509 | T | 52.6 | Low | 56.4 | Low | 147 Ų | 147 | 161.6 Ų | 161.6 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -69.8 | 95.8 | -174.8 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 510 | V | 43 | Very low | 55.6 | Low | 132 Ų | 132 | 159.3 Ų | 159.3 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -80 | 130.8 | 167.7 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | Q508 R512 | Q508-V510 PolarHBondContact O-N 3.47Å; V510-R512 PolarHBondContact O-N 3.47Å | ||
| 511 | Q | 57.2 | Low | 53.7 | Low | 181 Ų | 181 | 158.9 Ų | 158.9 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -64.4 | 132.1 | 177.4 | -67.2 | -176.7 | -6.2 | 0 | 0 | 111.2 | ||||
| 512 | R | 48.7 | Very low | 52.2 | Low | 246 Ų | 246 | 159.3 Ų | 159.3 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | trans | -88.5 | 109.3 | 179.2 | -58.7 | -176.7 | 75.4 | -153.6 | 3.7 | 110.3 | V510 | V510-R512 PolarHBondContact O-N 3.47Š| ||
| 513 | T | 63.4 | Low | 50.5 | Low | 127 Ų | 127 | 161.2 Ų | 161.2 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | trans | -81.3 | 141.6 | 172.1 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 514 | H | 57.3 | Low | 48.9 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -105.7 | 80.7 | -174.9 | 178 | -75.9 | 0 | 0 | 0 | 111.3 | ||||
| 515 | H | 44.9 | Very low | 47.6 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -139.8 | 59.9 | -176 | -76.6 | -21 | 0 | 0 | 0 | 115 | R517 | H515-R517 PolarHBondContact O-N 3.1Å; H515-R517 VanDerWaalsContact O-N 3.09Å | ||
| 516 | D | 49.2 | Very low | 46.1 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -78.7 | 85.3 | 163 | -76.6 | -34.7 | 0 | 0 | 0 | 111.2 | ||||
| 517 | R | 46.7 | Very low | 44.9 | Very low | 223 Ų | 223 | 157.7 Ų | 157.7 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -114.8 | 79.9 | 167.8 | -90.6 | -175.1 | 165.6 | 149.3 | -4.4 | 110.5 | H515 T519 | H515-R517 PolarHBondContact O-N 3.1Å; H515-R517 VanDerWaalsContact O-N 3.09Å; R517-T519 PolarHBondContact O-N 3.37Å; R517-T519 VanDerWaalsContact O-N 3.11Å | ||
| 518 | T | 46.8 | Very low | 44 | Very low | 131 Ų | 131 | 159.2 Ų | 159.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -86.9 | 66.6 | -176.9 | 41.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 519 | T | 44.6 | Very low | 42.9 | Very low | 122 Ų | 122 | 158 Ų | 158 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -101.4 | 110 | 158.8 | 40.6 | 0 | 0 | 0 | 0 | 109.5 | R517 S521 | R517-T519 PolarHBondContact O-N 3.37Å; R517-T519 VanDerWaalsContact O-N 3.11Å; T519-S521 PolarHBondContact O-N 3.34Å | ||
| 520 | P | 45.9 | Very low | 41.9 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 117.3 | 173.8 | 29.2 | -32.1 | 0 | 0 | 0 | 110.2 | ||||
| 521 | S | 29.4 | Very low | 41.4 | Very low | 105 Ų | 105 | 159.2 Ų | 159.2 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -63.5 | 141 | 160.6 | -70.2 | 0 | 0 | 0 | 0 | 109.4 | T519 | T519-S521 PolarHBondContact O-N 3.34Š| ||
| 522 | I | 37.1 | Very low | 40.2 | Very low | 137 Ų | 137 | 155.3 Ų | 155.3 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | trans | -111.2 | 103 | 168.5 | -62.2 | 177.3 | 0 | 0 | 0 | 106.5 | F524 | I522-F524 HydrophobicContact CG2-CD2 3.75Å; I522-F524 HydrophobicContact CG2-CE2 3.67Å; I522-F524 PolarHBondContact O-N 3.04Å | ||
| 523 | D | 32.4 | Very low | 39.4 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -74.8 | 115.1 | 178.8 | -61.7 | -44.6 | 0 | 0 | 0 | 110.3 | ||||
| 524 | F | 34.3 | Very low | 37.8 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -115 | 100.2 | 165.2 | -91.3 | -73 | 0 | 0 | 0 | 109.8 | I522 | I522-F524 HydrophobicContact CG2-CD2 3.75Å; I522-F524 HydrophobicContact CG2-CE2 3.67Å; I522-F524 PolarHBondContact O-N 3.04Å | ||
| 525 | N | 33.6 | Very low | 36.6 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -76.2 | 120.8 | 176.4 | -179.7 | 6.3 | 0 | 0 | 0 | 110.7 | ||||
| 526 | L | 36.3 | Very low | 36.2 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -140.8 | 119.1 | 162 | -101.9 | 172.2 | 0 | 0 | 0 | 109.7 | ||||
| 527 | H | 33.6 | Very low | 35.6 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 147.9 | 165.1 | -73.5 | 12.9 | 0 | 0 | 0 | 110.7 | ||||
| 528 | Y | 32.8 | Very low | 35.3 | Very low | 206 Ų | 206 | 138.2 Ų | 138.2 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | -176.6 | 130 | 110.7 | -99.6 | -65.2 | 0 | 0 | 0 | 113.1 | |||||
| 529 | I | 32.3 | Very low | 34.7 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 59.9 | 126.2 | 154.7 | -69.3 | 153.7 | 0 | 0 | 0 | 118.5 | ||||
| 530 | A | 31.5 | Very low | 34.3 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -93.1 | 162.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 531 | K | 32.1 | Very low | 33.8 | Very low | 215 Ų | 215 | 141.5 Ų | 141.5 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | -149.3 | 143.9 | 135.9 | -114.1 | 167.8 | -175.5 | 176.4 | 0 | 109.9 | ||||
| 532 | A | 32.5 | Very low | 34.7 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -102.1 | 152 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 533 | A | 30.1 | Very low | 34.5 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -161.6 | 105.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 534 | N | 31.1 | Very low | 34.6 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | 40.7 | 119.8 | 136.5 | -45.5 | -14.1 | 0 | 0 | 0 | 120.2 | ||||
| 535 | G | 32.4 | Very low | 34.6 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 159.8 | 98.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 536 | S | 35.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 30.1 | 130 | 154.5 | -156.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 537 | L | 36.8 | Very low | 34.9 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -66.1 | 148.5 | 156.8 | -69.4 | 76.4 | 0 | 0 | 0 | 110.9 | ||||
| 538 | P | 40.6 | Very low | 35 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -79.1 | 150 | 153.9 | 33.3 | -31.9 | 0 | 0 | 0 | 111 | ||||
| 539 | R | 33.8 | Very low | 35.2 | Very low | 239 Ų | 239 | 129.9 Ų | 129.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -104.2 | 158 | -173.3 | -177.3 | 173.8 | 170.6 | -170.5 | -2 | 111.7 | ||||
| 540 | S | 35.8 | Very low | 35.6 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -29.5 | 142.9 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 541 | S | 36.6 | Very low | 36.1 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -67.2 | 163.2 | 163.6 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 542 | P | 46.6 | Very low | 36.4 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -91.9 | 174.3 | 150.9 | 36 | -30.6 | 0 | 0 | 0 | 112 | ||||
| 543 | V | 34.1 | Very low | 36.9 | Very low | 137 Ų | 137 | 128 Ų | 128 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -132.8 | 163.2 | -172.4 | 161.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 544 | A | 34.8 | Very low | 36.9 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 74.6 | 149.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 545 | G | 34.5 | Very low | 37.4 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | 142.6 | 88.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 546 | L | 35.1 | Very low | 37.4 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 149.2 | 179 | -78.4 | 173.2 | 0 | 0 | 0 | 111.4 | ||||
| 547 | T | 40.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 133.4 | 176.5 | 40.9 | 0 | 0 | 0 | 0 | 111 | V549 | T547-V549 PolarHBondContact O-N 3.17Š| ||
| 548 | T | 34.9 | Very low | 37.4 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -78.9 | 98.4 | 173.9 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 549 | V | 36.9 | Very low | 37 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -77.5 | 126.5 | 156 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | T547 V551 | T547-V549 PolarHBondContact O-N 3.17Å; V549-V551 HydrophobicContact CG1-CG2 3.91Å | ||
| 550 | D | 41.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -74.9 | 123.5 | 174.5 | -173.9 | 12.1 | 0 | 0 | 0 | 109.7 | ||||
| 551 | V | 42.2 | Very low | 36.4 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | -140.2 | 86.6 | 179.6 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | V549 P553 | V549-V551 HydrophobicContact CG1-CG2 3.91Å; V551-P553 HydrophobicContact CG1-CG 4.03Å; V551-P553 WeakPolarHBondContact O-CD 3.15Å | ||
| 552 | L | 38.4 | Very low | 36.1 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -98.7 | 101.8 | 155.8 | -75.7 | 175.4 | 0 | 0 | 0 | 109.2 | M554 | L552-M554 PolarHBondContact O-N 3.4Š| ||
| 553 | P | 43.1 | Very low | 35.3 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -73.6 | 123.2 | 165.9 | -10 | 28.1 | 0 | 0 | 0 | 108.8 | V551 | V551-P553 HydrophobicContact CG1-CG 4.03Å; V551-P553 WeakPolarHBondContact O-CD 3.15Å | ||
| 554 | M | 30.3 | Very low | 35.2 | Very low | 162 Ų | 162 | 146 Ų | 146 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -80.9 | 126.6 | 171.7 | -117.2 | 180 | 45.2 | 0 | 0 | 110.1 | L552 | L552-M554 PolarHBondContact O-N 3.4Š| ||
| 555 | R | 41.5 | Very low | 35 | Very low | 201 Ų | 201 | 148 Ų | 148 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | trans | 43.6 | 122.7 | 148 | -59.8 | 175 | 176 | -118.2 | 2.2 | 119.1 | ||||
| 556 | E | 31 | Very low | 34.8 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 130.8 | 146.8 | -65.1 | -173.2 | 174.8 | 0 | 0 | 109.6 | ||||
| 557 | D | 40.7 | Very low | 34.8 | Very low | 144 Ų | 144 | 154.4 Ų | 154.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -100.2 | 106.8 | 175.5 | -76.5 | -67 | 0 | 0 | 0 | 108.5 | ||||
| 558 | V | 32.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 159.2 Ų | 159.2 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -134.6 | 134.3 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 559 | W | 31.9 | Very low | 34 | Very low | 243 Ų | 243 | 156.9 Ų | 156.9 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | trans | -120.2 | 136.7 | 172.9 | -78.7 | 43.1 | 0 | 0 | 0 | 109.6 | ||||
| 560 | S | 28.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 159.1 Ų | 159.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -178.6 | 152 | 158.4 | -74.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 561 | D | 28 | Very low | 33.4 | Very low | 153 Ų | 153 | 161.6 Ų | 161.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -159.5 | -172.1 | -36.5 | -156.8 | -13.2 | 0 | 0 | 0 | 106.5 | ||||
| 562 | E | 30.7 | Very low | 33.3 | Very low | 184 Ų | 184 | 162.3 Ų | 162.3 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 75.4 | 141.3 | 177.2 | -50.8 | -179.3 | 169.7 | 0 | 0 | 114.8 | ||||
| 563 | E | 29.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 160.5 Ų | 160.5 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | cis | -136.9 | 139.7 | 5.8 | -164.8 | -178.5 | -173.1 | 0 | 0 | 113.7 | ||||
| 564 | V | 31.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 164.7 Ų | 164.7 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | -3 | 128.6 | 161.9 | -177 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 565 | T | 32.1 | Very low | 33.1 | Very low | 142 Ų | 142 | 163.1 Ų | 163.1 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | -161.1 | 138.8 | 120 | 8.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 566 | D | 30.1 | Very low | 32.5 | Very low | 138 Ų | 138 | 158.9 Ų | 158.9 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -67.9 | 152.6 | -177.6 | -84.3 | -72.5 | 0 | 0 | 0 | 114.6 | ||||
| 567 | Y | 34.1 | Very low | 32.6 | Very low | 237 Ų | 237 | 160.3 Ų | 160.3 | 93% | 0.929 | 82% | 0.818 | S | S | * | * | -154.4 | 144.5 | 119.1 | -99.2 | -65.5 | 0 | 0 | 0 | 113 | |||||
| 568 | R | 29.8 | Very low | 32.1 | Very low | 229 Ų | 229 | 163.2 Ų | 163.2 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -75.4 | 122 | -160.3 | 172.6 | 177.2 | -77.9 | -178.3 | -5.7 | 115.7 | ||||
| 569 | S | 28.8 | Very low | 32.1 | Very low | 95 Ų | 95 | 165.6 Ų | 165.6 | 66% | 0.664 | 83% | 0.826 | S | S | * | * | trans | 31.4 | 133.1 | 134.6 | -164.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 570 | L | 32.8 | Very low | 32.1 | Very low | 166 Ų | 166 | 163.4 Ų | 163.4 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | -174.4 | 144.5 | 114.2 | -97.9 | 167.4 | 0 | 0 | 0 | 113.2 | |||||
| 571 | K | 32.7 | Very low | 32.1 | Very low | 196 Ų | 196 | 163.3 Ų | 163.3 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | trans | -144.2 | 134.9 | 170.2 | -83.7 | -178.5 | 180 | 166.6 | 0 | 111.1 | ||||
| 572 | P | 41.5 | Very low | 32.4 | Very low | 121 Ų | 121 | 161.8 Ų | 161.8 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 163.4 | 159.4 | -7.4 | 26.8 | 0 | 0 | 0 | 112.5 | ||
| 573 | P | 36.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 162.3 Ų | 162.3 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 169.4 | -163 | 38.7 | -37.1 | 0 | 0 | 0 | 116.2 | ||
| 574 | K | 36.4 | Very low | 32.7 | Very low | 199 Ų | 199 | 164.1 Ų | 164.1 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79 | 137.3 | 161.3 | -62.8 | 174.1 | -179.6 | 173.8 | 0 | 110.2 | ||
| 575 | P | 34 | Very low | 32.7 | Very low | 130 Ų | 130 | 168.1 Ų | 168.1 | 84% | 0.844 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 158.6 | 159.3 | 32.5 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 576 | S | 29 | Very low | 32.8 | Very low | 112 Ų | 112 | 170.1 Ų | 170.1 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | trans | -131.4 | 160.3 | -178.1 | 69.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 577 | R | 33.7 | Very low | 32.9 | Very low | 217 Ų | 217 | 168.2 Ų | 168.2 | 82% | 0.819 | 84% | 0.839 | S | S | * | * | trans | 53.9 | 116 | 152.4 | -171.2 | -179.3 | -173.2 | -170.9 | 2.9 | 118.1 | ||||
| 578 | K | 30.2 | Very low | 33.1 | Very low | 205 Ų | 205 | 164.8 Ų | 164.8 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | -155 | 130.4 | 119.1 | -106.2 | 154.1 | -171.4 | 178.7 | 0 | 111.1 | |||||
| 579 | Q | 32.2 | Very low | 33.4 | Very low | 175 Ų | 175 | 158.5 Ų | 158.5 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -87.3 | 145.1 | 161.4 | -68.8 | 167.1 | -50.5 | 0 | 0 | 107.5 | ||||
| 580 | Q | 31.3 | Very low | 33.9 | Very low | 197 Ų | 197 | 158.4 Ų | 158.4 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -129.1 | 128.9 | 152.7 | -76.3 | -175.7 | -64.6 | 0 | 0 | 107.8 | ||||
| 581 | S | 29.4 | Very low | 34.6 | Very low | 120 Ų | 120 | 156 Ų | 156 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -88.9 | 139.7 | 170.5 | 41.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 582 | S | 32.9 | Very low | 35.1 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | -138.9 | 154.5 | 166.3 | -72 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 583 | Q | 33.5 | Very low | 35.2 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -84.6 | 164.3 | -152.4 | -70.6 | 166.5 | -49.6 | 0 | 0 | 115.6 | ||||
| 584 | R | 33.5 | Very low | 35.6 | Very low | 217 Ų | 217 | 152.8 Ų | 152.8 | 82% | 0.819 | 83% | 0.831 | S | S | * | * | trans | -37 | 136.2 | 166.9 | -68.6 | 169.3 | 164.7 | -176.8 | -2.7 | 113.3 | ||||
| 585 | H | 32.4 | Very low | 35.8 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | -129.6 | 132.4 | 123.9 | -79.4 | -83.8 | 0 | 0 | 0 | 109 | |||||
| 586 | K | 32.8 | Very low | 36.6 | Very low | 185 Ų | 185 | 154.9 Ų | 154.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -91 | 130.2 | 168.5 | -79.6 | -172.1 | 174.8 | -173.9 | 0 | 108.3 | ||||
| 587 | A | 32.4 | Very low | 37.5 | Very low | 97 Ų | 97 | 158.3 Ų | 158.3 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -134.3 | 127.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | A589 | A587-A589 PolarHBondContact O-N 3.13Š| ||
| 588 | N | 38.7 | Very low | 38.1 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -83.9 | 114.9 | -178.4 | -70.8 | -16.8 | 0 | 0 | 0 | 109.7 | ||||
| 589 | A | 36.6 | Very low | 39.3 | Very low | 96 Ų | 96 | 145 Ų | 145 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -142.3 | 115.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | A587 | A587-A589 PolarHBondContact O-N 3.13Š| ||
| 590 | A | 39.9 | Very low | 40.1 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 140.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 591 | P | 47.2 | Very low | 41.2 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140.6 | 172.5 | 28.1 | -33.9 | 0 | 0 | 0 | 109.9 | A593 | P591-A593 PolarHBondContact O-N 3.12Å; P591-A593 VanDerWaalsContact O-N 3.13Å |
| 592 | P | 43.4 | Very low | 42 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.3 | -178.1 | 25.4 | -33.6 | 0 | 0 | 0 | 110.5 | N594 | P592-N594 PolarHBondContact O-N 2.87Š|
| 593 | A | 42.3 | Very low | 43.2 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -74.3 | 106.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P591 R595 | P591-A593 PolarHBondContact O-N 3.12Å; P591-A593 VanDerWaalsContact O-N 3.13Å; A593-R595 PolarHBondContact O-N 2.81Å | ||
| 594 | N | 45 | Very low | 44.3 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -69.7 | 61.6 | 167.6 | -74.9 | -19 | 0 | 0 | 0 | 110.8 | P592 | P592-N594 PolarHBondContact O-N 2.87Š| ||
| 595 | R | 42.3 | Very low | 45.1 | Very low | 209 Ų | 209 | 137.7 Ų | 137.7 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | -88.1 | 109.2 | 179 | -176.2 | 179.1 | -173.1 | 174.7 | 3.1 | 108.2 | A593 Q597 | A593-R595 PolarHBondContact O-N 2.81Å; R595-Q597 PolarHBondContact O-N 3.11Å | ||
| 596 | I | 49.7 | Very low | 46.3 | Very low | 163 Ų | 163 | 135 Ų | 135 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | -59.4 | 109.1 | 176.3 | -60.1 | 173 | 0 | 0 | 0 | 108.8 | G598 | I596-G598 PolarHBondContact O-N 2.86Å; I596-G598 VanDerWaalsContact O-N 3.08Å | ||
| 597 | Q | 48.6 | Very low | 47.3 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -84.8 | 65.2 | 176.3 | -66 | -167.9 | 2.5 | 0 | 0 | 110.7 | R595 | R595-Q597 PolarHBondContact O-N 3.11Š| ||
| 598 | G | 44.9 | Very low | 47.9 | Very low | 55 Ų | 55 | 136.1 Ų | 136.1 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | trans | -92.7 | 118.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I596 | I596-G598 PolarHBondContact O-N 2.86Å; I596-G598 VanDerWaalsContact O-N 3.08Å | ||
| 599 | T | 56 | Low | 48.4 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 55% | 0.546 | 74% | 0.736 | S | S | . | * | trans | -93.3 | 148.2 | 165.4 | 74.7 | 0 | 0 | 0 | 0 | 109.7 | R601 N602 | T599-R601 PolarHBondContact O-N 2.73Å; T599-N602 PolarHBondContact O-N 2.85Å | ||
| 600 | M | 49.2 | Very low | 48.8 | Very low | 189 Ų | 189 | 135 Ų | 135 | 93% | 0.931 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 41.5 | 175.8 | -62.1 | -164.6 | -59.7 | 0 | 0 | 113 | ||
| 601 | R | 54.7 | Low | 49 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | -8 | 176 | -66.9 | -176.6 | 175.9 | 167 | -1.3 | 113.1 | T599 A603 | T599-R601 PolarHBondContact O-N 2.73Å; R601-A603 PolarHBondContact O-N 3.04Å |
| 602 | N | 46.9 | Very low | 48.6 | Very low | 74 Ų | 74 | 137 Ų | 137 | 40% | 0.396 | 75% | 0.745 | S | S | . | * | trans | -70.1 | 119.3 | 173 | -66.2 | 15.5 | 0 | 0 | 0 | 109.7 | T599 E604 F605 | T599-N602 PolarHBondContact O-N 2.85Å; N602-E604 PolarHBondContact O-N 3.43Å; N602-E604 VanDerWaalsContact O-N 3.15Å; N602-F605 HydrophobicContact CB-CD2 3.96Å; N602-F605 PolarHBondContact O-N 3.21Å; N602-F605 VanDerWaalsContact O-N 3.11Å | ||
| 603 | A | 57.4 | Low | 48.5 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -59.3 | -28.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | R601 F605 Q606 | R601-A603 PolarHBondContact O-N 3.04Å; A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.16Å; A603-Q606 PolarHBondContact O-N 2.9Å |
| 604 | E | 55.6 | Low | 48 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -58.1 | -27.9 | 177.7 | -58.3 | 179.5 | 147.1 | 0 | 0 | 113.1 | N602 H607 | N602-E604 PolarHBondContact O-N 3.43Å; N602-E604 VanDerWaalsContact O-N 3.15Å; E604-H607 PolarHBondContact O-CE1 3.41Å; E604-H607 PolarHBondContact O-ND1 2.89Å |
| 605 | F | 51.9 | Low | 47.5 | Very low | 149 Ų | 149 | 147 Ų | 147 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -92.4 | -1.3 | 179.5 | -65.7 | -92.5 | 0 | 0 | 0 | 113.3 | N602 A603 H607 | N602-F605 HydrophobicContact CB-CD2 3.96Å; N602-F605 PolarHBondContact O-N 3.21Å; N602-F605 VanDerWaalsContact O-N 3.11Å; A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.16Å; F605-H607 PolarHBondContact O-N 2.86Å |
| 606 | Q | 57.5 | Low | 47.5 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | trans | -89.8 | 68.2 | 178.2 | -65.1 | -168.9 | -1.7 | 0 | 0 | 112 | A603 | A603-Q606 PolarHBondContact O-N 2.9Š| ||
| 607 | H | 53.6 | Low | 46.9 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | trans | -127.4 | 49.3 | 176.5 | 53.7 | -98.3 | 0 | 0 | 0 | 113.4 | E604 F605 | E604-H607 PolarHBondContact O-CE1 3.41Å; E604-H607 PolarHBondContact O-ND1 2.89Å; F605-H607 PolarHBondContact O-N 2.86Å | ||
| 608 | N | 45.4 | Very low | 46.8 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -161.8 | 131.9 | 155.6 | -96 | -45.2 | 0 | 0 | 0 | 112.4 | ||
| 609 | G | 49.2 | Very low | 46.3 | Very low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | 70.3 | 70 | 151 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 610 | N | 44.1 | Very low | 45.5 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -149.2 | 86.5 | 156.9 | -118.5 | -14.9 | 0 | 0 | 0 | 112 | ||||
| 611 | L | 44.4 | Very low | 44.9 | Very low | 191 Ų | 191 | 147 Ų | 147 | 100% | 1 | 76% | 0.756 | S | S | * | * | trans | -137.1 | 73.8 | 166.1 | -77.9 | -179.6 | 0 | 0 | 0 | 108.4 | ||||
| 612 | G | 38.5 | Very low | 44.3 | Very low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | -126.3 | 110 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 613 | I | 40.4 | Very low | 44 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 72.1 | 142.8 | 162.3 | -30.4 | -177.2 | 0 | 0 | 0 | 116.4 | ||
| 614 | F | 33.1 | Very low | 43.2 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | 69.6 | 93.4 | 171.8 | -60.1 | -65.1 | 0 | 0 | 0 | 120 | ||||
| 615 | R | 33.2 | Very low | 42.5 | Very low | 242 Ų | 242 | 147.3 Ų | 147.3 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | -130.1 | 147.2 | 116.9 | -107.7 | -165.1 | 174.7 | -128.6 | -1 | 109.7 | |||||
| 616 | P | 44 | Very low | 41.8 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -90.4 | 168.4 | -176.5 | 37.4 | -36.2 | 0 | 0 | 0 | 113 | ||||
| 617 | E | 36.4 | Very low | 41.3 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | 13.6 | 112.9 | 152.8 | -69.9 | -58.1 | 150.2 | 0 | 0 | 119 | ||||
| 618 | L | 45.8 | Very low | 41.2 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -169.9 | 98.3 | 134.7 | -104.7 | 177.3 | 0 | 0 | 0 | 108.6 | ||||
| 619 | F | 35.2 | Very low | 41.7 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 166.5 | 115.9 | 138.9 | -86.4 | -56.9 | 0 | 0 | 0 | 109.2 | ||||
| 620 | V | 38.8 | Very low | 42 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | trans | -126.5 | 159.2 | -175.5 | -178 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 621 | L | 35.8 | Very low | 42.5 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 77.5 | 150.3 | 178.6 | -62.1 | 110.2 | 0 | 0 | 0 | 117.1 | ||||
| 622 | P | 42.1 | Very low | 43.1 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -120.2 | 161.4 | -23 | 34.8 | -20 | 0 | 0 | 0 | 113.2 | ||||
| 623 | Q | 42.4 | Very low | 44.8 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -81.8 | 125.1 | 167.2 | -178.6 | 174.2 | -15 | 0 | 0 | 108.8 | ||||
| 624 | S | 39.6 | Very low | 46.4 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | -136.3 | 114.1 | 178.1 | 61.2 | 0 | 0 | 0 | 0 | 111 | S626 | S624-S626 PolarHBondContact O-N 3.04Š| ||
| 625 | D | 40.5 | Very low | 48.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -76.2 | 112.5 | 179.5 | -61.6 | -64.9 | 0 | 0 | 0 | 111.6 | ||||
| 626 | S | 36.9 | Very low | 50.3 | Low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | trans | -150.2 | 96 | 164.3 | 63 | 0 | 0 | 0 | 0 | 110.9 | S624 L628 | S624-S626 PolarHBondContact O-N 3.04Å; S626-L628 PolarHBondContact O-N 2.98Å; S626-L628 VanDerWaalsContact O-N 3.12Å | ||
| 627 | A | 48.1 | Very low | 51.7 | Low | 104 Ų | 104 | 124.8 Ų | 124.8 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | trans | -77.4 | 95.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 628 | L | 51.8 | Low | 53.6 | Low | 177 Ų | 177 | 122.2 Ų | 122.2 | 93% | 0.927 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -171.5 | 142.4 | 156.1 | -100.4 | 153 | 0 | 0 | 0 | 111.1 | S626 | S626-L628 PolarHBondContact O-N 2.98Å; S626-L628 VanDerWaalsContact O-N 3.12Å |
| 629 | S | 54.8 | Low | 55.4 | Low | 72 Ų | 72 | 118.6 Ų | 118.6 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | trans | 69.1 | 43.6 | 176.9 | -135.6 | 0 | 0 | 0 | 0 | 120.5 | N631 D632 | S629-N631 PolarHBondContact O-N 3.03Å; S629-D632 PolarHBondContact OG-OD2 3.32Å | ||
| 630 | D | 55.3 | Low | 57 | Low | 112 Ų | 112 | 112.2 Ų | 112.2 | 60% | 0.599 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 40.7 | 169.7 | -178.4 | 38.7 | 0 | 0 | 0 | 114.8 | K634 | D630-K634 PolarHBondContact O-NZ 2.93Å; D630-K634 IonicContact OD1-NZ 3.05Å; D630-K634 PolarHBondContact OD1-NZ 3.05Å; D630-K634 IonicContact OD2-NZ 2.63Å; D630-K634 PolarHBondContact OD2-NZ 2.88Å |
| 631 | N | 54.8 | Low | 58.7 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 65% | 0.647 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -38.5 | 174.5 | -75.9 | -79.6 | 0 | 0 | 0 | 113 | S629 K634 M635 | S629-N631 PolarHBondContact O-N 3.03Å; N631-K634 PolarHBondContact O-N 3.03Å; N631-M635 PolarHBondContact O-N 3.34Å |
| 632 | D | 58 | Low | 60.9 | Low | 103 Ų | 103 | 111.1 Ų | 111.1 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.1 | -39.6 | -177.5 | -60.2 | -59.5 | 0 | 0 | 0 | 111.4 | S629 K634 M635 S636 | S629-D632 PolarHBondContact OG-OD2 3.32Å; D632-K634 VanDerWaalsContact C-N 3.3Å; D632-K634 PolarHBondContact O-N 3.05Å; D632-M635 PolarHBondContact O-N 2.89Å; D632-M635 VanDerWaalsContact O-N 3.11Å; D632-S636 PolarHBondContact O-N 3.45Å; D632-S636 PolarHBondContact O-OG 2.86Å |
| 633 | D | 73.3 | Confident | 62.4 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.8 | -35.3 | 175.8 | -80.3 | -27.1 | 0 | 0 | 0 | 113.4 | M635 S636 Q637 | D633-M635 VanDerWaalsContact C-N 3.31Å; D633-M635 PolarHBondContact O-N 2.91Å; D633-S636 PolarHBondContact O-N 3.45Å; D633-Q637 WeakPolarHBondContact O-CB 3.42Å; D633-Q637 VanDerWaalsContact O-CG 3.23Å; D633-Q637 WeakPolarHBondContact O-CG 3.39Å; D633-Q637 PolarHBondContact O-N 3.45Å |
| 634 | K | 74.8 | Confident | 63.7 | Low | 92 Ų | 92 | 102.8 Ų | 102.8 | 40% | 0.4 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.5 | -38.2 | 177 | -65.9 | -173.3 | 179.2 | 67.3 | 0 | 111.2 | D630 N631 D632 I638 | D630-K634 PolarHBondContact O-NZ 2.93Å; D630-K634 IonicContact OD1-NZ 3.05Å; D630-K634 PolarHBondContact OD1-NZ 3.05Å; D630-K634 IonicContact OD2-NZ 2.63Å; D630-K634 PolarHBondContact OD2-NZ 2.88Å; N631-K634 PolarHBondContact O-N 3.03Å; D632-K634 VanDerWaalsContact C-N 3.3Å; D632-K634 PolarHBondContact O-N 3.05Å; K634-I638 WeakPolarHBondContact O-CD1 3.46Å; K634-I638 VanDerWaalsContact O-CG1 3.25Å; K634-I638 WeakPolarHBondContact O-CG1 3.49Å; K634-I638 PolarHBondContact O-N 3.37Å |
| 635 | M | 71 | Confident | 65.4 | Low | 134 Ų | 134 | 101.8 Ų | 101.8 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.1 | -41.4 | 173.8 | -72.3 | -63 | -65.1 | 0 | 0 | 111.5 | N631 D632 D633 I638 S639 | N631-M635 PolarHBondContact O-N 3.34Å; D632-M635 PolarHBondContact O-N 2.89Å; D632-M635 VanDerWaalsContact O-N 3.11Å; D633-M635 VanDerWaalsContact C-N 3.31Å; D633-M635 PolarHBondContact O-N 2.91Å; M635-I638 PolarHBondContact O-N 2.88Å; M635-S639 WeakPolarHBondContact O-CB 3.49Å; M635-S639 PolarHBondContact O-N 3Å |
| 636 | S | 77.1 | Confident | 67.1 | Low | 68 Ų | 68 | 98.8 Ų | 98.8 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62 | -42.8 | 176.3 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | D632 D633 S639 S640 | D632-S636 PolarHBondContact O-N 3.45Å; D632-S636 PolarHBondContact O-OG 2.86Å; D633-S636 PolarHBondContact O-N 3.45Å; S636-S639 WeakPolarHBondContact O-CB 3.32Å; S636-S639 PolarHBondContact O-N 3.21Å; S636-S640 PolarHBondContact O-N 2.72Å; S636-S640 PolarHBondContact O-OG 2.8Å |
| 637 | Q | 73.6 | Confident | 69.2 | Low | 115 Ų | 115 | 97.7 Ų | 97.7 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.8 | -36.2 | 174.9 | -71.8 | 174.2 | 26.7 | 0 | 0 | 112.6 | D633 S640 R641 | D633-Q637 WeakPolarHBondContact O-CB 3.42Å; D633-Q637 VanDerWaalsContact O-CG 3.23Å; D633-Q637 WeakPolarHBondContact O-CG 3.39Å; D633-Q637 PolarHBondContact O-N 3.45Å; Q637-S640 PolarHBondContact O-OG 2.92Å; Q637-R641 WeakPolarHBondContact O-CB 3.48Å; Q637-R641 WeakPolarHBondContact O-CD 3.47Å; Q637-R641 WeakPolarHBondContact O-CG 3.42Å; Q637-R641 PolarHBondContact O-N 3.48Å |
| 638 | I | 76.1 | Confident | 70.8 | Confident | 102 Ų | 102 | 99.1 Ų | 99.1 | 52% | 0.523 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.5 | -40 | 173.8 | -68.8 | 165.7 | 0 | 0 | 0 | 110 | K634 M635 S642 | K634-I638 WeakPolarHBondContact O-CD1 3.46Å; K634-I638 VanDerWaalsContact O-CG1 3.25Å; K634-I638 WeakPolarHBondContact O-CG1 3.49Å; K634-I638 PolarHBondContact O-N 3.37Å; M635-I638 PolarHBondContact O-N 2.88Å; I638-S642 VanDerWaalsContact O-CB 3.31Å; I638-S642 WeakPolarHBondContact O-CB 3.21Å; I638-S642 PolarHBondContact O-N 3.2Å; I638-S642 PolarHBondContact O-OG 2.99Å |
| 639 | S | 82.9 | Confident | 72.3 | Confident | 79 Ų | 79 | 93.6 Ų | 93.6 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -50.8 | 177.9 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | M635 S636 R641 S642 A643 | M635-S639 WeakPolarHBondContact O-CB 3.49Å; M635-S639 PolarHBondContact O-N 3Å; S636-S639 WeakPolarHBondContact O-CB 3.32Å; S636-S639 PolarHBondContact O-N 3.21Å; S639-R641 PolarHBondContact O-N 2.89Å; S639-S642 WeakPolarHBondContact O-CB 3.45Å; S639-S642 PolarHBondContact O-N 3.39Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S639-A643 PolarHBondContact O-N 3.17Å |
| 640 | S | 69.8 | Low | 73.8 | Confident | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 179.8 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | S636 Q637 S642 A643 A644 | S636-S640 PolarHBondContact O-N 2.72Å; S636-S640 PolarHBondContact O-OG 2.8Å; Q637-S640 PolarHBondContact O-OG 2.92Å; S640-S642 VanDerWaalsContact C-N 3.32Å; S640-S642 PolarHBondContact O-N 2.89Å; S640-A643 PolarHBondContact O-N 3.26Å; S640-A644 WeakPolarHBondContact O-CB 3.32Å; S640-A644 PolarHBondContact O-N 2.79Å |
| 641 | R | 74.4 | Confident | 75.5 | Confident | 183 Ų | 183 | 93.1 Ų | 93.1 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -35.2 | 173.5 | -69.3 | 172.2 | 70 | 169 | 5.7 | 112.4 | Q637 S639 S645 | Q637-R641 WeakPolarHBondContact O-CB 3.48Å; Q637-R641 WeakPolarHBondContact O-CD 3.47Å; Q637-R641 WeakPolarHBondContact O-CG 3.42Å; Q637-R641 PolarHBondContact O-N 3.48Å; S639-R641 PolarHBondContact O-N 2.89Å; R641-S645 WeakPolarHBondContact O-CB 3.44Å; R641-S645 PolarHBondContact O-N 3.21Å; R641-S645 PolarHBondContact O-OG 2.88Å |
| 642 | S | 81.2 | Confident | 77.2 | Confident | 60 Ų | 60 | 91.7 Ų | 91.7 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69 | -43.9 | 174.7 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | I638 S639 S640 S645 C646 | I638-S642 VanDerWaalsContact O-CB 3.31Å; I638-S642 WeakPolarHBondContact O-CB 3.21Å; I638-S642 PolarHBondContact O-N 3.2Å; I638-S642 PolarHBondContact O-OG 2.99Å; S639-S642 WeakPolarHBondContact O-CB 3.45Å; S639-S642 PolarHBondContact O-N 3.39Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S640-S642 VanDerWaalsContact C-N 3.32Å; S640-S642 PolarHBondContact O-N 2.89Å; S642-S645 PolarHBondContact O-N 2.89Å; S642-C646 WeakPolarHBondContact O-CB 3.41Å; S642-C646 PolarHBondContact O-N 2.87Å; S642-C646 PolarHBondContact O-SG 2.75Å; S642-C646 VanDerWaalsContact O-SG 3.35Å |
| 643 | A | 74.1 | Confident | 78.8 | Confident | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | S639 S640 S645 C646 S647 | S639-A643 PolarHBondContact O-N 3.17Å; S640-A643 PolarHBondContact O-N 3.26Å; A643-S645 PolarHBondContact O-N 3.21Å; A643-C646 PolarHBondContact O-N 2.88Å; A643-S647 WeakPolarHBondContact O-CB 3.48Å; A643-S647 PolarHBondContact O-N 3.48Å |
| 644 | A | 69.9 | Low | 79.6 | Confident | 54 Ų | 54 | 87.8 Ų | 87.8 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | S640 C646 S647 M648 | S640-A644 WeakPolarHBondContact O-CB 3.32Å; S640-A644 PolarHBondContact O-N 2.79Å; A644-C646 PolarHBondContact O-N 2.78Å; A644-S647 WeakPolarHBondContact O-CB 3.47Å; A644-S647 PolarHBondContact O-N 3.36Å; A644-M648 PolarHBondContact O-N 3.43Å |
| 645 | S | 74.9 | Confident | 80.4 | Confident | 75 Ų | 75 | 89.5 Ų | 89.5 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | R641 S642 A643 A649 | R641-S645 WeakPolarHBondContact O-CB 3.44Å; R641-S645 PolarHBondContact O-N 3.21Å; R641-S645 PolarHBondContact O-OG 2.88Å; S642-S645 PolarHBondContact O-N 2.89Å; A643-S645 PolarHBondContact O-N 3.21Å; S645-A649 WeakPolarHBondContact O-CB 3.43Å; S645-A649 PolarHBondContact O-N 2.99Å |
| 646 | C | 77.1 | Confident | 81.3 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -37 | 175.4 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | S642 A643 A644 A649 S650 | S642-C646 WeakPolarHBondContact O-CB 3.41Å; S642-C646 PolarHBondContact O-N 2.87Å; S642-C646 PolarHBondContact O-SG 2.75Å; S642-C646 VanDerWaalsContact O-SG 3.35Å; A643-C646 PolarHBondContact O-N 2.88Å; A644-C646 PolarHBondContact O-N 2.78Å; C646-A649 PolarHBondContact O-N 3.01Å; C646-S650 WeakPolarHBondContact O-CB 3.14Å; C646-S650 PolarHBondContact O-N 3.29Å |
| 647 | S | 80.1 | Confident | 81.8 | Confident | 82 Ų | 82 | 87.3 Ų | 87.3 | 57% | 0.573 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -50.3 | 174.8 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | A643 A644 A649 S650 E651 | A643-S647 WeakPolarHBondContact O-CB 3.48Å; A643-S647 PolarHBondContact O-N 3.48Å; A644-S647 WeakPolarHBondContact O-CB 3.47Å; A644-S647 PolarHBondContact O-N 3.36Å; S647-A649 VanDerWaalsContact C-N 3.34Å; S647-A649 PolarHBondContact O-N 2.98Å; S647-S650 WeakPolarHBondContact O-CB 3.48Å; S647-S650 PolarHBondContact O-N 2.87Å; S647-E651 PolarHBondContact O-N 2.85Å |
| 648 | M | 81.2 | Confident | 82.5 | Confident | 134 Ų | 134 | 88.3 Ų | 88.3 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.3 | -40.7 | 174.5 | -69.2 | -177.4 | 71.1 | 0 | 0 | 112.5 | A644 S650 E651 V652 | A644-M648 PolarHBondContact O-N 3.43Å; M648-S650 VanDerWaalsContact C-N 3.35Å; M648-E651 PolarHBondContact O-N 3.32Å; M648-V652 WeakPolarHBondContact O-CG2 3.21Å; M648-V652 PolarHBondContact O-N 3.12Å |
| 649 | A | 84.7 | Confident | 83 | Confident | 61 Ų | 61 | 91.9 Ų | 91.9 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S645 C646 S647 L653 | S645-A649 WeakPolarHBondContact O-CB 3.43Å; S645-A649 PolarHBondContact O-N 2.99Å; C646-A649 PolarHBondContact O-N 3.01Å; S647-A649 VanDerWaalsContact C-N 3.34Å; S647-A649 PolarHBondContact O-N 2.98Å; A649-L653 WeakPolarHBondContact O-CB 3.37Å; A649-L653 PolarHBondContact O-N 3.23Å |
| 650 | S | 85.8 | Confident | 83.2 | Confident | 80 Ų | 80 | 94.8 Ų | 94.8 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 173 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | C646 S647 M648 L653 G654 | C646-S650 WeakPolarHBondContact O-CB 3.14Å; C646-S650 PolarHBondContact O-N 3.29Å; S647-S650 WeakPolarHBondContact O-CB 3.48Å; S647-S650 PolarHBondContact O-N 2.87Å; M648-S650 VanDerWaalsContact C-N 3.35Å; S650-L653 WeakPolarHBondContact O-CB 3.44Å; S650-L653 PolarHBondContact O-N 2.93Å; S650-G654 PolarHBondContact O-N 3.09Å |
| 651 | E | 90.1 | Very high | 83.8 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 177.8 | -148.5 | -138.8 | 147.2 | 0 | 0 | 112.1 | S647 M648 L653 G654 R655 | S647-E651 PolarHBondContact O-N 2.85Å; M648-E651 PolarHBondContact O-N 3.32Å; E651-L653 VanDerWaalsContact C-N 3.33Å; E651-L653 PolarHBondContact O-N 3.35Å; E651-G654 PolarHBondContact O-N 3.08Å; E651-R655 VanDerWaalsContact CD-NH2 3.28Å; E651-R655 VanDerWaalsContact O-CG 3.31Å; E651-R655 WeakPolarHBondContact O-CG 3.39Å; E651-R655 PolarHBondContact O-N 3.23Å; E651-R655 IonicContact OE1-CZ 3.12Å; E651-R655 IonicContact OE1-NE 2.75Å; E651-R655 PolarHBondContact OE1-NE 2.85Å; E651-R655 IonicContact OE1-NH2 2.68Å; E651-R655 PolarHBondContact OE1-NH2 3.27Å; E651-R655 IonicContact OE2-CZ 3.74Å; E651-R655 IonicContact OE2-NE 3.77Å; E651-R655 IonicContact OE2-NH2 3.14Å; E651-R655 PolarHBondContact OE2-NH2 3.33Å; E651-R655 VanDerWaalsContact OE2-NH2 3.14Å |
| 652 | V | 92.2 | Very high | 84.3 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 173.7 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | M648 R655 A656 | M648-V652 WeakPolarHBondContact O-CG2 3.21Å; M648-V652 PolarHBondContact O-N 3.12Å; V652-R655 PolarHBondContact O-N 3.12Å; V652-A656 WeakPolarHBondContact O-CB 3.5Å; V652-A656 PolarHBondContact O-N 2.94Å |
| 653 | L | 90.9 | Very high | 84.1 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 173.9 | 179.9 | 61.2 | 0 | 0 | 0 | 111.5 | A649 S650 E651 A656 Q657 | A649-L653 WeakPolarHBondContact O-CB 3.37Å; A649-L653 PolarHBondContact O-N 3.23Å; S650-L653 WeakPolarHBondContact O-CB 3.44Å; S650-L653 PolarHBondContact O-N 2.93Å; E651-L653 VanDerWaalsContact C-N 3.33Å; E651-L653 PolarHBondContact O-N 3.35Å; L653-A656 PolarHBondContact O-N 3.36Å; L653-Q657 HydrophobicContact CD1-CG 4.28Å; L653-Q657 HydrophobicContact CG-CG 4.49Å; L653-Q657 WeakPolarHBondContact O-CB 3.41Å; L653-Q657 VanDerWaalsContact O-CG 3.31Å; L653-Q657 WeakPolarHBondContact O-CG 3.42Å; L653-Q657 PolarHBondContact O-N 2.96Å |
| 654 | G | 90 | Very high | 84.4 | Confident | 26 Ų | 26 | 106.3 Ų | 106.3 | 27% | 0.268 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S650 E651 R658 | S650-G654 PolarHBondContact O-N 3.09Å; E651-G654 PolarHBondContact O-N 3.08Å; G654-R658 PolarHBondContact O-N 3.16Å |
| 655 | R | 90.8 | Very high | 84.3 | Confident | 128 Ų | 128 | 105.7 Ų | 105.7 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 170.8 | -69.5 | 173 | -176.3 | -157.3 | 9.4 | 111.5 | E651 V652 R659 | E651-R655 VanDerWaalsContact CD-NH2 3.28Å; E651-R655 VanDerWaalsContact O-CG 3.31Å; E651-R655 WeakPolarHBondContact O-CG 3.39Å; E651-R655 PolarHBondContact O-N 3.23Å; E651-R655 IonicContact OE1-CZ 3.12Å; E651-R655 IonicContact OE1-NE 2.75Å; E651-R655 PolarHBondContact OE1-NE 2.85Å; E651-R655 IonicContact OE1-NH2 2.68Å; E651-R655 PolarHBondContact OE1-NH2 3.27Å; E651-R655 IonicContact OE2-CZ 3.74Å; E651-R655 IonicContact OE2-NE 3.77Å; E651-R655 IonicContact OE2-NH2 3.14Å; E651-R655 PolarHBondContact OE2-NH2 3.33Å; E651-R655 VanDerWaalsContact OE2-NH2 3.14Å; V652-R655 PolarHBondContact O-N 3.12Å; R655-R659 WeakPolarHBondContact O-CG 3.48Å; R655-R659 PolarHBondContact O-N 2.96Å |
| 656 | A | 90.4 | Very high | 83.5 | Confident | 52 Ų | 52 | 111.9 Ų | 111.9 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.2 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V652 L653 K660 | V652-A656 WeakPolarHBondContact O-CB 3.5Å; V652-A656 PolarHBondContact O-N 2.94Å; L653-A656 PolarHBondContact O-N 3.36Å; A656-K660 WeakPolarHBondContact O-CB 3.48Å; A656-K660 PolarHBondContact O-N 2.91Å |
| 657 | Q | 87.7 | Confident | 82 | Confident | 103 Ų | 103 | 116.8 Ų | 116.8 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 173.9 | -75 | 178.1 | 8.4 | 0 | 0 | 111.6 | L653 K660 Q661 | L653-Q657 HydrophobicContact CD1-CG 4.28Å; L653-Q657 HydrophobicContact CG-CG 4.49Å; L653-Q657 WeakPolarHBondContact O-CB 3.41Å; L653-Q657 VanDerWaalsContact O-CG 3.31Å; L653-Q657 WeakPolarHBondContact O-CG 3.42Å; L653-Q657 PolarHBondContact O-N 2.96Å; Q657-K660 WeakPolarHBondContact O-CB 3.38Å; Q657-K660 PolarHBondContact O-N 2.86Å; Q657-Q661 WeakPolarHBondContact O-CG 3.15Å; Q657-Q661 PolarHBondContact O-N 3.08Å |
| 658 | R | 87.9 | Confident | 82.1 | Confident | 137 Ų | 137 | 118.5 Ų | 118.5 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.7 | -50.9 | 171.9 | -82.4 | -173.1 | -75.8 | 174.2 | -5.8 | 112.1 | G654 K660 Q661 E662 | G654-R658 PolarHBondContact O-N 3.16Å; R658-K660 PolarHBondContact O-N 2.83Å; R658-K660 VanDerWaalsContact O-N 3.15Å; R658-Q661 CarbonylContact O-C 3.53Å; R658-Q661 WeakPolarHBondContact O-CA 3.28Å; R658-Q661 WeakPolarHBondContact O-CB 3.49Å; R658-Q661 PolarHBondContact O-N 3.17Å; R658-E662 VanDerWaalsContact O-CG 3.3Å; R658-E662 WeakPolarHBondContact O-CG 3.16Å; R658-E662 PolarHBondContact O-N 2.82Å |
| 659 | R | 86.6 | Confident | 82.2 | Confident | 176 Ų | 176 | 117.7 Ų | 117.7 | 66% | 0.664 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -55.3 | -35.3 | 173.1 | -72.7 | 177.1 | -177.1 | 169.1 | -0.9 | 113.9 | R655 E662 F663 | R655-R659 WeakPolarHBondContact O-CG 3.48Å; R655-R659 PolarHBondContact O-N 2.96Å; R659-E662 WeakPolarHBondContact CA-OE2 3.36Å; R659-F663 WeakPolarHBondContact O-CB 3.32Å; R659-F663 PolarHBondContact O-N 2.6Å |
| 660 | K | 86.6 | Confident | 82 | Confident | 141 Ų | 141 | 120.8 Ų | 120.8 | 61% | 0.613 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69 | -40.5 | 173.7 | -174.1 | -173 | 173.7 | -172.2 | 0 | 111.7 | A656 Q657 R658 W664 | A656-K660 WeakPolarHBondContact O-CB 3.48Å; A656-K660 PolarHBondContact O-N 2.91Å; Q657-K660 WeakPolarHBondContact O-CB 3.38Å; Q657-K660 PolarHBondContact O-N 2.86Å; R658-K660 PolarHBondContact O-N 2.83Å; R658-K660 VanDerWaalsContact O-N 3.15Å; K660-W664 WeakPolarHBondContact O-CB 3.4Å; K660-W664 VanDerWaalsContact O-CD1 3.3Å; K660-W664 PolarHBondContact O-N 3.16Å |
| 661 | Q | 84.1 | Confident | 81.8 | Confident | 138 Ų | 138 | 123.2 Ų | 123.2 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.9 | -29.9 | 176.3 | -72.1 | 169.6 | -11.4 | 0 | 0 | 112.6 | Q657 R658 G665 | Q657-Q661 WeakPolarHBondContact O-CG 3.15Å; Q657-Q661 PolarHBondContact O-N 3.08Å; R658-Q661 CarbonylContact O-C 3.53Å; R658-Q661 WeakPolarHBondContact O-CA 3.28Å; R658-Q661 WeakPolarHBondContact O-CB 3.49Å; R658-Q661 PolarHBondContact O-N 3.17Å; Q661-G665 WeakPolarHBondContact O-CA 3.06Å; Q661-G665 PolarHBondContact O-N 2.6Å |
| 662 | E | 83.1 | Confident | 81.3 | Confident | 129 Ų | 129 | 125.1 Ų | 125.1 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72 | -49 | 172.3 | -68.8 | 151.4 | -161 | 0 | 0 | 110.4 | R658 R659 G665 | R658-E662 VanDerWaalsContact O-CG 3.3Å; R658-E662 WeakPolarHBondContact O-CG 3.16Å; R658-E662 PolarHBondContact O-N 2.82Å; R659-E662 WeakPolarHBondContact CA-OE2 3.36Å; E662-G665 PolarHBondContact O-N 3.05Å |
| 663 | F | 78.6 | Confident | 80.6 | Confident | 157 Ų | 157 | 127.3 Ų | 127.3 | 69% | 0.689 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.8 | -35.3 | -178.4 | -177.5 | -84.9 | 0 | 0 | 0 | 114 | R659 | R659-F663 WeakPolarHBondContact O-CB 3.32Å; R659-F663 PolarHBondContact O-N 2.6Å |
| 664 | W | 79.5 | Confident | 79.8 | Confident | 190 Ų | 190 | 129.5 Ų | 129.5 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 3.5 | 174.1 | -64 | 102.6 | 0 | 0 | 0 | 112.8 | K660 | K660-W664 WeakPolarHBondContact O-CB 3.4Å; K660-W664 VanDerWaalsContact O-CD1 3.3Å; K660-W664 PolarHBondContact O-N 3.16Å |
| 665 | G | 69 | Low | 79 | Confident | 41 Ų | 41 | 137.5 Ų | 137.5 | 42% | 0.423 | 65% | 0.653 | S | S | . | * | trans | -76 | 126.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q661 E662 | Q661-G665 WeakPolarHBondContact O-CA 3.06Å; Q661-G665 PolarHBondContact O-N 2.6Å; E662-G665 PolarHBondContact O-N 3.05Å | ||
| 666 | K | 57.3 | Low | 78.1 | Confident | 204 Ų | 204 | 138.3 Ų | 138.3 | 89% | 0.887 | 67% | 0.667 | S | S | * | * | trans | -76.8 | 135.7 | 162.5 | -63.4 | -179.6 | -179 | -178.5 | 0 | 107.4 | ||||
| 667 | S | 46.1 | Very low | 77 | Confident | 191 Ų | 191 | 146.1 Ų | 146.1 | 100% | 1.336 | 69% | 0.689 | S | S | * | * | trans | -52.3 | 0 | 162.7 | 56.2 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 667 of 667 residues in 75.3 ms
(Link to these results)