| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.9 | Very low | 65.2 | Low | 228 Ų | 228 | 175.2 Ų | 175.2 | 100% | 1.123 | 80% | 0.795 | S | S | * | * | 0 | 109.4 | 0 | -73.4 | 170.8 | 71.2 | 0 | 0 | 106.2 | D3 | M1-D3 PolarHBondContact O-N 2.74Š| |||
| 2 | Y | 51.9 | Low | 64.3 | Low | 235 Ų | 235 | 171.5 Ų | 171.5 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 105.6 | 174.9 | -70.2 | -78.8 | 0 | 0 | 0 | 107.6 | R4 | Y2-R4 PolarHBondContact O-N 2.81Š| ||
| 3 | D | 59.9 | Low | 63.4 | Low | 152 Ų | 152 | 172.8 Ų | 172.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -56.3 | 126 | 170.8 | -92 | -28 | 0 | 0 | 0 | 108.5 | M1 Q5 | M1-D3 PolarHBondContact O-N 2.74Å; D3-Q5 PolarHBondContact O-N 3.32Å; D3-Q5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | R | 67.1 | Low | 62.8 | Low | 239 Ų | 239 | 174.2 Ų | 174.2 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -75.2 | 108.2 | 175.9 | -62.8 | -177.8 | -175.2 | -178.7 | 1.2 | 106.6 | Y2 E6 | Y2-R4 PolarHBondContact O-N 2.81Å; R4-E6 PolarHBondContact O-N 3.26Å | ||
| 5 | Q | 77.9 | Confident | 62.1 | Low | 183 Ų | 183 | 170.3 Ų | 170.3 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -48.1 | 134.4 | 176.6 | -170.5 | 152.8 | -2.8 | 0 | 0 | 111.5 | D3 R7 | D3-Q5 PolarHBondContact O-N 3.32Å; D3-Q5 VanDerWaalsContact O-N 3.13Å; Q5-R7 PolarHBondContact O-N 3.33Å | ||
| 6 | E | 73.7 | Confident | 61.7 | Low | 180 Ų | 180 | 165.2 Ų | 165.2 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -56 | 135.3 | -178.5 | -82.1 | -172.3 | 147 | 0 | 0 | 111.5 | R4 I8 | R4-E6 PolarHBondContact O-N 3.26Å; E6-I8 PolarHBondContact O-N 2.98Å | ||
| 7 | R | 72.1 | Confident | 61.5 | Low | 205 Ų | 205 | 162.4 Ų | 162.4 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -89 | 107.2 | 174.9 | -66.9 | -178 | -178.4 | 170.5 | -1.8 | 108.6 | Q5 F9 | Q5-R7 PolarHBondContact O-N 3.33Å; R7-F9 HydrophobicContact CB-CE1 4.32Å; R7-F9 HydrophobicContact CB-CE2 4.01Å; R7-F9 HydrophobicContact CB-CZ 3.91Å; R7-F9 WeakPolarHBondContact O-CD2 2.96Å; R7-F9 PolarHBondContact O-N 2.82Å | ||
| 8 | I | 73.7 | Confident | 61.5 | Low | 146 Ų | 146 | 159.4 Ų | 159.4 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -78.7 | 108.5 | 173.2 | -55.1 | 171.9 | 0 | 0 | 0 | 108 | E6 T10 | E6-I8 PolarHBondContact O-N 2.98Å; I8-T10 HydrophobicContact CG2-CG2 3.94Å; I8-T10 PolarHBondContact O-N 2.99Å | ||
| 9 | F | 68.9 | Low | 61.8 | Low | 112 Ų | 112 | 160.9 Ų | 160.9 | 49% | 0.491 | 77% | 0.774 | S | S | . | * | trans | -91.4 | 80.4 | 178.2 | -64 | -67.5 | 0 | 0 | 0 | 110.7 | R7 F11 | R7-F9 HydrophobicContact CB-CE1 4.32Å; R7-F9 HydrophobicContact CB-CE2 4.01Å; R7-F9 HydrophobicContact CB-CZ 3.91Å; R7-F9 WeakPolarHBondContact O-CD2 2.96Å; R7-F9 PolarHBondContact O-N 2.82Å; F9-F11 HydrophobicContact CB-CD1 4.47Å; F9-F11 HydrophobicContact CB-CE1 4.04Å; F9-F11 HydrophobicContact CB-CE2 4.34Å; F9-F11 HydrophobicContact CB-CZ 3.93Å; F9-F11 HydrophobicContact CD1-CD1 4.39Å; F9-F11 AromaticContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE2 4.42Å; F9-F11 AromaticContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CE1-CE1 4.14Å; F9-F11 HydrophobicContact CE1-CZ 4.01Å; F9-F11 HydrophobicContact CG-CE1 4.11Å; F9-F11 AromaticContact CG-CZ 3.9Å; F9-F11 HydrophobicContact CG-CZ 3.9Å; F9-F11 PolarHBondContact O-N 3.23Å | ||
| 10 | T | 64 | Low | 61.8 | Low | 109 Ų | 109 | 158.9 Ų | 158.9 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -68.3 | -10.5 | 178.5 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | I8 Q12 | I8-T10 HydrophobicContact CG2-CG2 3.94Å; I8-T10 PolarHBondContact O-N 2.99Å; T10-Q12 VanDerWaalsContact C-N 3.3Å; T10-Q12 PolarHBondContact O-N 3.42Å |
| 11 | F | 61.4 | Low | 61.8 | Low | 138 Ų | 138 | 156.2 Ų | 156.2 | 61% | 0.605 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -74.1 | -16.7 | -179.6 | 55.2 | -107.2 | 0 | 0 | 0 | 114.2 | F9 E13 K14 | F9-F11 HydrophobicContact CB-CD1 4.47Å; F9-F11 HydrophobicContact CB-CE1 4.04Å; F9-F11 HydrophobicContact CB-CE2 4.34Å; F9-F11 HydrophobicContact CB-CZ 3.93Å; F9-F11 HydrophobicContact CD1-CD1 4.39Å; F9-F11 AromaticContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE2 4.42Å; F9-F11 AromaticContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CE1-CE1 4.14Å; F9-F11 HydrophobicContact CE1-CZ 4.01Å; F9-F11 HydrophobicContact CG-CE1 4.11Å; F9-F11 AromaticContact CG-CZ 3.9Å; F9-F11 HydrophobicContact CG-CZ 3.9Å; F9-F11 PolarHBondContact O-N 3.23Å; F11-E13 VanDerWaalsContact C-N 3.25Å; F11-E13 PolarHBondContact O-N 2.97Å; F11-K14 PolarHBondContact O-N 3.19Å |
| 12 | Q | 54.5 | Low | 62.4 | Low | 131 Ų | 131 | 147.1 Ų | 147.1 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -73.3 | -13.3 | 178.2 | -71.6 | -174.9 | 1.5 | 0 | 0 | 113.6 | T10 K14 T15 | T10-Q12 VanDerWaalsContact C-N 3.3Å; T10-Q12 PolarHBondContact O-N 3.42Å; Q12-K14 PolarHBondContact O-N 3.41Å; Q12-T15 VanDerWaalsContact C-OG1 3.24Å; Q12-T15 VanDerWaalsContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact O-CB 3.14Å; Q12-T15 PolarHBondContact O-N 3.05Å; Q12-T15 PolarHBondContact O-OG1 2.86Å |
| 13 | E | 52.8 | Low | 62.8 | Low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -71.3 | -16.6 | 170 | -82.4 | -173.3 | 157.2 | 0 | 0 | 112.5 | F11 | F11-E13 VanDerWaalsContact C-N 3.25Å; F11-E13 PolarHBondContact O-N 2.97Å |
| 14 | K | 54.2 | Low | 62.4 | Low | 193 Ų | 193 | 139.1 Ų | 139.1 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -103.3 | 43.8 | 172.6 | -67.5 | -174.8 | 178.3 | -177.6 | 0 | 111.7 | F11 Q12 A16 | F11-K14 PolarHBondContact O-N 3.19Å; Q12-K14 PolarHBondContact O-N 3.41Å; K14-A16 VanDerWaalsContact C-N 3.26Å; K14-A16 PolarHBondContact O-N 2.96Å |
| 15 | T | 52.3 | Low | 61.8 | Low | 115 Ų | 115 | 130.4 Ų | 130.4 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -90.4 | 45.7 | 177.3 | -39.8 | 0 | 0 | 0 | 0 | 112.8 | Q12 | Q12-T15 VanDerWaalsContact C-OG1 3.24Å; Q12-T15 VanDerWaalsContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact O-CB 3.14Å; Q12-T15 PolarHBondContact O-N 3.05Å; Q12-T15 PolarHBondContact O-OG1 2.86Å | ||
| 16 | A | 56 | Low | 60.4 | Low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | trans | -136.6 | 104.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108 | K14 D18 | K14-A16 VanDerWaalsContact C-N 3.26Å; K14-A16 PolarHBondContact O-N 2.96Å; A16-D18 PolarHBondContact O-N 2.77Å | ||
| 17 | T | 58.1 | Low | 59 | Low | 117 Ų | 117 | 127.7 Ų | 127.7 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | trans | -59.1 | 126.7 | 161.6 | -37.6 | 0 | 0 | 0 | 0 | 106.6 | L21 | T17-L21 HydrophobicContact CG2-CB 3.86Å; T17-L21 HydrophobicContact CG2-CD1 3.59Å; T17-L21 HydrophobicContact CG2-CG 4.35Å | ||
| 18 | D | 62.7 | Low | 57.9 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | trans | -53.1 | 143.1 | -179.3 | -169.1 | 1.2 | 0 | 0 | 0 | 110.9 | A16 N20 L21 | A16-D18 PolarHBondContact O-N 2.77Å; D18-N20 PolarHBondContact O-N 2.85Å; D18-L21 HydrophobicContact CB-CD1 4.01Å; D18-L21 HydrophobicContact CB-CG 4.18Å; D18-L21 PolarHBondContact O-N 3.2Å | ||
| 19 | E | 66.6 | Low | 56.4 | Low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -20.4 | -174.3 | -65.7 | -176.8 | 176.4 | 0 | 0 | 112.4 | ||
| 20 | N | 61.3 | Low | 55.2 | Low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 4.5 | -177.1 | -69.7 | 2.6 | 0 | 0 | 0 | 114.6 | D18 G22 S25 | D18-N20 PolarHBondContact O-N 2.85Å; N20-G22 PolarHBondContact O-N 3.24Å; N20-S25 WeakPolarHBondContact O-CB 3.22Å; N20-S25 PolarHBondContact O-OG 3.29Å |
| 21 | L | 61.9 | Low | 54.3 | Low | 102 Ų | 102 | 125 Ų | 125 | 53% | 0.534 | 70% | 0.698 | S | S | . | * | trans | -95.7 | 87.1 | -177.7 | -65.8 | 174.2 | 0 | 0 | 0 | 112.1 | T17 D18 | T17-L21 HydrophobicContact CG2-CB 3.86Å; T17-L21 HydrophobicContact CG2-CD1 3.59Å; T17-L21 HydrophobicContact CG2-CG 4.35Å; D18-L21 HydrophobicContact CB-CD1 4.01Å; D18-L21 HydrophobicContact CB-CG 4.18Å; D18-L21 PolarHBondContact O-N 3.2Å | ||
| 22 | G | 60.1 | Low | 53.6 | Low | 38 Ų | 38 | 126.1 Ų | 126.1 | 39% | 0.392 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -110.9 | 173.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N20 G24 S25 | N20-G22 PolarHBondContact O-N 3.24Å; G22-G24 PolarHBondContact O-N 3.34Å; G22-S25 PolarHBondContact N-OG 2.67Å; G22-S25 VanDerWaalsContact N-OG 3.12Å; G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 3.39Å; G22-S25 PolarHBondContact O-OG 3.3Å |
| 23 | P | 59.1 | Low | 52.9 | Low | 156 Ų | 156 | 126.3 Ų | 126.3 | 100% | 1.013 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 18.3 | -176 | 26.5 | -34.4 | 0 | 0 | 0 | 115.9 | ||
| 24 | G | 52.5 | Low | 52.6 | Low | 62 Ų | 62 | 123 Ų | 123 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | 7.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G22 Y26 | G22-G24 PolarHBondContact O-N 3.34Å; G24-Y26 PolarHBondContact O-N 3.02Å |
| 25 | S | 54.2 | Low | 52.1 | Low | 56 Ų | 56 | 117.1 Ų | 117.1 | 39% | 0.392 | 71% | 0.712 | S | S | . | * | trans | -90.5 | 72.6 | -174.4 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | N20 G22 C27 | N20-S25 WeakPolarHBondContact O-CB 3.22Å; N20-S25 PolarHBondContact O-OG 3.29Å; G22-S25 PolarHBondContact N-OG 2.67Å; G22-S25 VanDerWaalsContact N-OG 3.12Å; G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 3.39Å; G22-S25 PolarHBondContact O-OG 3.3Å; S25-C27 VanDerWaalsContact C-N 3.27Å; S25-C27 PolarHBondContact O-N 3.05Å | ||
| 26 | Y | 49.4 | Very low | 51.5 | Low | 216 Ų | 216 | 117.8 Ų | 117.8 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | trans | -73.6 | 89.2 | 160.4 | -63.6 | -79.4 | 0 | 0 | 0 | 107.8 | G24 I28 | G24-Y26 PolarHBondContact O-N 3.02Å; Y26-I28 PolarHBondContact O-N 3.29Å; Y26-I28 VanDerWaalsContact O-N 3.12Å | ||
| 27 | C | 42.5 | Very low | 51.4 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | -72.1 | 105.1 | 163 | -160.1 | 0 | 0 | 0 | 0 | 106.6 | S25 Q29 | S25-C27 VanDerWaalsContact C-N 3.27Å; S25-C27 PolarHBondContact O-N 3.05Å; C27-Q29 PolarHBondContact O-N 2.93Å | ||
| 28 | I | 50.3 | Low | 51 | Low | 161 Ų | 161 | 118.2 Ų | 118.2 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | trans | -73.5 | 64.5 | 170.1 | -33 | 169 | 0 | 0 | 0 | 106.8 | Y26 A30 | Y26-I28 PolarHBondContact O-N 3.29Å; Y26-I28 VanDerWaalsContact O-N 3.12Å; I28-A30 PolarHBondContact O-N 3.13Å | ||
| 29 | Q | 41.4 | Very low | 50.6 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -73.7 | 93.1 | 167.4 | -95.8 | 179.6 | -19.7 | 0 | 0 | 106.9 | C27 S31 | C27-Q29 PolarHBondContact O-N 2.93Å; Q29-S31 PolarHBondContact O-N 3.18Å | ||
| 30 | A | 44.5 | Very low | 50.1 | Low | 93 Ų | 93 | 112.8 Ų | 112.8 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | trans | -48.5 | 100.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | I28 | I28-A30 PolarHBondContact O-N 3.13Š| ||
| 31 | S | 43.5 | Very low | 50.1 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | trans | -125.5 | 84 | 147.2 | 50.9 | 0 | 0 | 0 | 0 | 105.2 | Q29 T33 | Q29-S31 PolarHBondContact O-N 3.18Å; S31-T33 PolarHBondContact O-N 3.25Å | ||
| 32 | L | 48.5 | Very low | 50.4 | Low | 162 Ų | 162 | 109.2 Ų | 109.2 | 85% | 0.848 | 68% | 0.677 | S | S | * | * | 48.3 | 59.5 | 90.9 | -138.2 | 91.2 | 0 | 0 | 0 | 111.6 | |||||
| 33 | T | 39.4 | Very low | 50.3 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 83% | 0.828 | 70% | 0.695 | S | S | * | * | trans | -114.9 | 95.5 | 153.2 | 49.4 | 0 | 0 | 0 | 0 | 108.1 | S31 G35 | S31-T33 PolarHBondContact O-N 3.25Å; T33-G35 PolarHBondContact O-N 2.89Å | ||
| 34 | S | 45.8 | Very low | 50.4 | Low | 120 Ų | 120 | 118.1 Ų | 118.1 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | trans | -48.8 | 121.5 | 172.1 | -47.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 35 | G | 44 | Very low | 51.1 | Low | 68 Ų | 68 | 117.6 Ų | 117.6 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | trans | 158.1 | 66.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T33 | T33-G35 PolarHBondContact O-N 2.89Š| ||
| 36 | C | 40.3 | Very low | 51.5 | Low | 129 Ų | 129 | 122 Ų | 122 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | trans | 168.7 | 51.9 | 134.8 | -87.4 | 0 | 0 | 0 | 0 | 110.7 | V38 | C36-V38 PolarHBondContact O-N 3.24Š| ||
| 37 | D | 54.3 | Low | 52.3 | Low | 151 Ų | 151 | 116.9 Ų | 116.9 | 81% | 0.807 | 69% | 0.689 | S | S | * | * | trans | -77.5 | 6.5 | 174.5 | -97.4 | -20.9 | 0 | 0 | 0 | 113.8 | G39 | D37-G39 PolarHBondContact O-N 3.09Š| ||
| 38 | V | 48.2 | Very low | 53.5 | Low | 64 Ų | 64 | 118.6 Ų | 118.6 | 39% | 0.388 | 69% | 0.688 | S | S | . | * | trans | -100.1 | 79.8 | 179 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | C36 Y40 E48 | C36-V38 PolarHBondContact O-N 3.24Å; V38-Y40 HydrophobicContact CG1-CD2 4.26Å; V38-Y40 HydrophobicContact CG1-CE1 4.23Å; V38-Y40 HydrophobicContact CG1-CE2 3.81Å; V38-Y40 PolarHBondContact O-N 3.06Å; V38-E48 HydrophobicContact CG1-CG 3.94Å | ||
| 39 | G | 55.5 | Low | 54.1 | Low | 44 Ų | 44 | 118.7 Ų | 118.7 | 45% | 0.454 | 68% | 0.678 | S | S | . | * | trans | -78.9 | 105.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D37 | D37-G39 PolarHBondContact O-N 3.09Š| ||
| 40 | Y | 56.4 | Low | 55 | Low | 140 Ų | 140 | 119.5 Ų | 119.5 | 55% | 0.549 | 68% | 0.679 | S | S | . | * | B | Isolated β-bridge | trans | -67.8 | 137.1 | 170.7 | -69.8 | -78.7 | 0 | 0 | 0 | 110.6 | V38 L46 | V38-Y40 HydrophobicContact CG1-CD2 4.26Å; V38-Y40 HydrophobicContact CG1-CE1 4.23Å; V38-Y40 HydrophobicContact CG1-CE2 3.81Å; V38-Y40 PolarHBondContact O-N 3.06Å; Y40-L46 HydrophobicContact CD1-CD2 4.06Å; Y40-L46 HydrophobicContact CE1-CB 4.49Å; Y40-L46 HydrophobicContact CE1-CD2 4.01Å |
| 41 | A | 59.8 | Low | 55.9 | Low | 27 Ų | 27 | 120.3 Ų | 120.3 | 22% | 0.223 | 67% | 0.67 | C | S | . | * | trans | -68.8 | 139.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F43 | A41-F43 VanDerWaalsContact C-N 3.25Å; A41-F43 PolarHBondContact O-N 2.89Å | ||
| 42 | P | 67.7 | Low | 56.6 | Low | 121 Ų | 121 | 122.3 Ų | 122.3 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -72 | 5.9 | -162.3 | 24.2 | -33.3 | 0 | 0 | 0 | 117.5 | ||
| 43 | F | 58.4 | Low | 57.2 | Low | 172 Ų | 172 | 123.4 Ų | 123.4 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -152.4 | 122.1 | 170.8 | 51.9 | -88.7 | 0 | 0 | 0 | 112.7 | A41 S45 | A41-F43 VanDerWaalsContact C-N 3.25Å; A41-F43 PolarHBondContact O-N 2.89Å; F43-S45 PolarHBondContact O-N 3.44Å |
| 44 | E | 62.2 | Low | 58 | Low | 208 Ų | 208 | 121.6 Ų | 121.6 | 97% | 0.972 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 56.8 | 15.6 | 161.3 | -61.7 | -84.5 | 152.7 | 0 | 0 | 117.8 | ||
| 45 | S | 66.4 | Low | 58.6 | Low | 51 Ų | 51 | 125.3 Ų | 125.3 | 36% | 0.357 | 67% | 0.666 | S | S | . | * | trans | -129.2 | 117.6 | 168.8 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | F43 T47 | F43-S45 PolarHBondContact O-N 3.44Å; S45-T47 PolarHBondContact O-N 3.08Å | ||
| 46 | L | 61.9 | Low | 59.4 | Low | 149 Ų | 149 | 127.4 Ų | 127.4 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | trans | -82.1 | 8.3 | 173.9 | -70.4 | 173 | 0 | 0 | 0 | 113.2 | Y40 | Y40-L46 HydrophobicContact CD1-CD2 4.06Å; Y40-L46 HydrophobicContact CE1-CB 4.49Å; Y40-L46 HydrophobicContact CE1-CD2 4.01Å | ||
| 47 | T | 67.8 | Low | 60.2 | Low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | trans | -74.9 | 127.1 | -179.6 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | S45 | S45-T47 PolarHBondContact O-N 3.08Š| ||
| 48 | E | 66 | Low | 60.5 | Low | 127 Ų | 127 | 118.8 Ų | 118.8 | 59% | 0.593 | 63% | 0.632 | S | S | * | * | B | Isolated β-bridge | trans | -63.1 | 133 | 178.9 | -53.5 | -176.5 | 159.8 | 0 | 0 | 111.3 | V38 K50 | V38-E48 HydrophobicContact CG1-CG 3.94Å; E48-K50 PolarHBondContact O-N 3.44Å |
| 49 | R | 63.2 | Low | 61.3 | Low | 164 Ų | 164 | 124.9 Ų | 124.9 | 62% | 0.619 | 66% | 0.657 | S | S | * | * | trans | -77.4 | 110.9 | 173.4 | -83.9 | 176 | 76.5 | 130.5 | -3.1 | 110.1 | L51 | R49-L51 PolarHBondContact O-N 2.89Š| ||
| 50 | K | 62 | Low | 62 | Low | 180 Ų | 180 | 128 Ų | 128 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | trans | -73.9 | 110.3 | 167 | -65.9 | -173.5 | 178.7 | -177.7 | 0 | 110 | E48 N52 | E48-K50 PolarHBondContact O-N 3.44Å; K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 2.73Å | ||
| 51 | L | 63.4 | Low | 62.7 | Low | 110 Ų | 110 | 125.6 Ų | 125.6 | 58% | 0.576 | 68% | 0.675 | S | S | * | * | trans | -84.7 | 72.8 | 173.2 | -67.3 | 174.7 | 0 | 0 | 0 | 110.2 | R49 F53 | R49-L51 PolarHBondContact O-N 2.89Å; L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 HydrophobicContact CB-CD2 4.38Å; L51-F53 HydrophobicContact CB-CE2 4.4Å; L51-F53 HydrophobicContact CD2-CE2 4.02Å; L51-F53 PolarHBondContact O-N 3.03Å; L51-F53 VanDerWaalsContact O-N 3.07Å | ||
| 52 | N | 57.7 | Low | 63.3 | Low | 139 Ų | 139 | 126.4 Ų | 126.4 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | -83.9 | 73.2 | 175.8 | -66.8 | -4.2 | 0 | 0 | 0 | 110.5 | K50 S54 | K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 2.73Å; N52-S54 PolarHBondContact O-N 3.26Å | ||
| 53 | F | 60.4 | Low | 63.3 | Low | 185 Ų | 185 | 123.1 Ų | 123.1 | 81% | 0.811 | 66% | 0.658 | S | S | * | * | trans | -80.7 | 89.3 | 164.6 | -66.8 | -75 | 0 | 0 | 0 | 108.6 | L51 | L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 HydrophobicContact CB-CD2 4.38Å; L51-F53 HydrophobicContact CB-CE2 4.4Å; L51-F53 HydrophobicContact CD2-CE2 4.02Å; L51-F53 PolarHBondContact O-N 3.03Å; L51-F53 VanDerWaalsContact O-N 3.07Å | ||
| 54 | S | 55.6 | Low | 64.1 | Low | 97 Ų | 97 | 120.8 Ų | 120.8 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | trans | -74.9 | 126 | 171.4 | -118.4 | 0 | 0 | 0 | 0 | 109.5 | N52 S56 G57 | N52-S54 PolarHBondContact O-N 3.26Å; S54-S56 PolarHBondContact O-N 3.26Å; S54-G57 PolarHBondContact O-N 3.17Å | ||
| 55 | F | 59.2 | Low | 64.4 | Low | 198 Ų | 198 | 114.3 Ų | 114.3 | 87% | 0.868 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -56.5 | -17.3 | -173.3 | -145.1 | -94.5 | 0 | 0 | 0 | 114.3 | G57 A58 | F55-G57 VanDerWaalsContact C-N 3.27Å; F55-G57 PolarHBondContact O-N 2.79Å; F55-A58 PolarHBondContact O-N 2.88Å |
| 56 | S | 60.2 | Low | 64.7 | Low | 112 Ų | 112 | 117.6 Ų | 117.6 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -69.1 | -15.4 | -178.9 | 60.2 | 0 | 0 | 0 | 0 | 115 | S54 | S54-S56 PolarHBondContact O-N 3.26Š|
| 57 | G | 57.2 | Low | 65.2 | Low | 42 Ų | 42 | 118 Ų | 118 | 43% | 0.433 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -83.2 | -9.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S54 F55 E59 S60 | S54-G57 PolarHBondContact O-N 3.17Å; F55-G57 VanDerWaalsContact C-N 3.27Å; F55-G57 PolarHBondContact O-N 2.79Å; G57-E59 PolarHBondContact O-N 3.01Å; G57-S60 PolarHBondContact O-N 3.43Å |
| 58 | A | 61.3 | Low | 65.1 | Low | 56 Ų | 56 | 120.8 Ų | 120.8 | 46% | 0.463 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -31.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F55 S60 S61 | F55-A58 PolarHBondContact O-N 2.88Å; A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 2.73Å; A58-S61 CarbonylContact O-C 3.23Å; A58-S61 VanDerWaalsContact O-C 3.23Å; A58-S61 PolarHBondContact O-N 2.76Å |
| 59 | E | 64.2 | Low | 65 | Low | 193 Ų | 193 | 120.3 Ų | 120.3 | 90% | 0.902 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -31.5 | 177.2 | -86.4 | -164.2 | 152.3 | 0 | 0 | 113.5 | G57 S61 | G57-E59 PolarHBondContact O-N 3.01Å; E59-S61 VanDerWaalsContact C-N 3.29Å |
| 60 | S | 71 | Confident | 65.2 | Low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -26.3 | 178.4 | -172 | 0 | 0 | 0 | 0 | 111.7 | G57 A58 | G57-S60 PolarHBondContact O-N 3.43Å; A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 2.73Å |
| 61 | S | 70.2 | Confident | 65.2 | Low | 88 Ų | 88 | 121 Ų | 121 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -130.5 | 67.7 | -175 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | A58 E59 S63 | A58-S61 CarbonylContact O-C 3.23Å; A58-S61 VanDerWaalsContact O-C 3.23Å; A58-S61 PolarHBondContact O-N 2.76Å; E59-S61 VanDerWaalsContact C-N 3.29Å; S61-S63 PolarHBondContact O-N 3.41Å |
| 62 | P | 72.5 | Confident | 65 | Low | 44 Ų | 44 | 121.8 Ų | 121.8 | 29% | 0.286 | 68% | 0.681 | S | S | . | * | trans | -60.3 | 142.8 | -179.2 | 25.6 | -33.5 | 0 | 0 | 0 | 110 | E66 | P62-E66 HydrophobicContact CB-CB 3.91Š| ||
| 63 | S | 68.5 | Low | 65.1 | Low | 53 Ų | 53 | 120.4 Ų | 120.4 | 37% | 0.371 | 68% | 0.682 | S | S | . | * | trans | -62.5 | 156.3 | 178.5 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | S61 A65 E66 Y67 | S61-S63 PolarHBondContact O-N 3.41Å; S63-A65 PolarHBondContact O-N 3.49Å; S63-E66 PolarHBondContact N-OE2 2.78Å; S63-E66 PolarHBondContact O-N 2.95Å; S63-E66 PolarHBondContact OG-OE2 3.46Å; S63-Y67 WeakPolarHBondContact O-CD2 3.4Å | ||
| 64 | P | 74.1 | Confident | 65.2 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -24.2 | 178 | -29.4 | 36.2 | 0 | 0 | 0 | 114.9 | ||
| 65 | A | 69.8 | Low | 65.4 | Low | 73 Ų | 73 | 125.5 Ų | 125.5 | 60% | 0.603 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S63 F68 | S63-A65 PolarHBondContact O-N 3.49Å; A65-F68 WeakPolarHBondContact O-CE2 3.36Å; A65-F68 WeakPolarHBondContact O-CZ 3.12Å |
| 66 | E | 72.5 | Confident | 65.5 | Low | 119 Ų | 119 | 120 Ų | 120 | 56% | 0.556 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -94.9 | -3.6 | -176.5 | -76.1 | 163 | 150.4 | 0 | 0 | 113.5 | P62 S63 F68 | P62-E66 HydrophobicContact CB-CB 3.91Å; S63-E66 PolarHBondContact N-OE2 2.78Å; S63-E66 PolarHBondContact O-N 2.95Å; S63-E66 PolarHBondContact OG-OE2 3.46Å; E66-F68 PolarHBondContact O-N 3.47Å |
| 67 | Y | 71.5 | Confident | 65.5 | Low | 157 Ų | 157 | 123.4 Ų | 123.4 | 62% | 0.616 | 68% | 0.677 | S | S | * | * | trans | -74.2 | 68.3 | 171.7 | -64.2 | -91.5 | 0 | 0 | 0 | 111.1 | S63 P69 | S63-Y67 WeakPolarHBondContact O-CD2 3.4Å; Y67-P69 WeakPolarHBondContact O-CD 3.33Å | ||
| 68 | F | 65.8 | Low | 65.2 | Low | 168 Ų | 168 | 124.6 Ų | 124.6 | 74% | 0.737 | 69% | 0.69 | S | S | * | * | trans | -86.9 | 106.7 | 168.5 | -67.9 | -73.7 | 0 | 0 | 0 | 109.4 | A65 E66 K70 | A65-F68 WeakPolarHBondContact O-CE2 3.36Å; A65-F68 WeakPolarHBondContact O-CZ 3.12Å; E66-F68 PolarHBondContact O-N 3.47Å; F68-K70 PolarHBondContact O-N 3.46Å | ||
| 69 | P | 64.7 | Low | 65.1 | Low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -66.3 | 121.7 | 177.4 | 26.9 | -32.9 | 0 | 0 | 0 | 109.6 | Y67 L71 | Y67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-L71 PolarHBondContact O-N 2.88Å; P69-L71 VanDerWaalsContact O-N 3.1Å | ||
| 70 | K | 67.1 | Low | 64.7 | Low | 207 Ų | 207 | 123 Ų | 123 | 90% | 0.9 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -67.7 | -5.6 | -176.6 | -64.5 | -177.1 | 180 | 178.5 | 0 | 114.6 | F68 | F68-K70 PolarHBondContact O-N 3.46Š|
| 71 | L | 63 | Low | 64.3 | Low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -108.8 | 122.6 | -174.5 | -66.9 | 169.9 | 0 | 0 | 0 | 111.1 | P69 S73 | P69-L71 PolarHBondContact O-N 2.88Å; P69-L71 VanDerWaalsContact O-N 3.1Å; L71-S73 PolarHBondContact O-N 3.05Å |
| 72 | P | 58 | Low | 63.8 | Low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.9 | 177.1 | 24.4 | -29.4 | 0 | 0 | 0 | 110.4 | ||
| 73 | S | 60.1 | Low | 63.6 | Low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137.9 | -178.8 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | L71 K75 | L71-S73 PolarHBondContact O-N 3.05Å; S73-K75 PolarHBondContact O-N 3.3Å |
| 74 | E | 61.8 | Low | 63.8 | Low | 184 Ų | 184 | 130.4 Ų | 130.4 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 124.4 | 174.7 | -142.4 | 174 | -166.1 | 0 | 0 | 109.1 | V76 | E74-V76 PolarHBondContact O-N 3.21Š|
| 75 | K | 60.9 | Low | 63.8 | Low | 205 Ų | 205 | 134 Ų | 134 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | trans | -61.7 | 104.4 | -171.6 | -72.5 | -179.6 | 179.9 | 178.8 | 0 | 110.6 | S73 K77 | S73-K75 PolarHBondContact O-N 3.3Å; K75-K77 PolarHBondContact O-N 2.95Å; K75-K77 VanDerWaalsContact O-N 3.17Å | ||
| 76 | V | 60 | Low | 64.2 | Low | 82 Ų | 82 | 133.9 Ų | 133.9 | 50% | 0.497 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 116.7 | 170.7 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | E74 G78 I82 | E74-V76 PolarHBondContact O-N 3.21Å; V76-G78 PolarHBondContact O-N 3.04Å; V76-I82 HydrophobicContact CG1-CG1 4.25Å; V76-I82 HydrophobicContact CG2-CD1 3.65Å; V76-I82 HydrophobicContact CG2-CG1 3.95Å |
| 77 | K | 61.8 | Low | 64.5 | Low | 184 Ų | 184 | 136.1 Ų | 136.1 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.2 | 175.9 | -159.7 | 163.9 | -178.1 | 177.7 | 0 | 107.9 | K75 C79 S80 | K75-K77 PolarHBondContact O-N 2.95Å; K75-K77 VanDerWaalsContact O-N 3.17Å; K77-C79 PolarHBondContact O-N 3.26Å; K77-S80 PolarHBondContact O-N 2.85Å; K77-S80 PolarHBondContact O-OG 3.11Å; K77-S80 VanDerWaalsContact O-OG 3.07Å |
| 78 | G | 49.8 | Very low | 65 | Low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | 137.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V76 | V76-G78 PolarHBondContact O-N 3.04Š|
| 79 | C | 58.9 | Low | 65.8 | Low | 147 Ų | 147 | 138.6 Ų | 138.6 | 99% | 0.993 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77 | 1.6 | -179.3 | -53.8 | 0 | 0 | 0 | 0 | 118 | K77 | K77-C79 PolarHBondContact O-N 3.26Š|
| 80 | S | 57 | Low | 66.3 | Low | 68 Ų | 68 | 138.4 Ų | 138.4 | 48% | 0.476 | 75% | 0.746 | S | S | . | * | trans | -93.7 | 114.6 | 161.3 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | K77 I82 | K77-S80 PolarHBondContact O-N 2.85Å; K77-S80 PolarHBondContact O-OG 3.11Å; K77-S80 VanDerWaalsContact O-OG 3.07Å; S80-I82 PolarHBondContact O-N 3.49Å | ||
| 81 | S | 61.4 | Low | 66.8 | Low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -53 | 136.7 | 166.8 | -63.8 | 0 | 0 | 0 | 0 | 108.7 | A83 | S81-A83 PolarHBondContact O-N 3.08Š| ||
| 82 | I | 60.8 | Low | 67.5 | Low | 139 Ų | 139 | 133.7 Ų | 133.7 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -61.5 | 85.4 | 163.5 | -74.6 | 158.4 | 0 | 0 | 0 | 106.2 | V76 S80 N84 | V76-I82 HydrophobicContact CG1-CG1 4.25Å; V76-I82 HydrophobicContact CG2-CD1 3.65Å; V76-I82 HydrophobicContact CG2-CG1 3.95Å; S80-I82 PolarHBondContact O-N 3.49Å; I82-N84 VanDerWaalsContact C-N 3.31Å; I82-N84 PolarHBondContact O-N 3.01Å; I82-N84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | A | 68.3 | Low | 68.2 | Low | 71 Ų | 71 | 134.8 Ų | 134.8 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | trans | -78.1 | 92.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | S81 K85 | S81-A83 PolarHBondContact O-N 3.08Å; A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 3.5Å | ||
| 84 | N | 72.2 | Confident | 69 | Low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | -61.8 | 100.4 | 169.6 | -173.9 | -12.8 | 0 | 0 | 0 | 107.5 | I82 A86 | I82-N84 VanDerWaalsContact C-N 3.31Å; I82-N84 PolarHBondContact O-N 3.01Å; I82-N84 VanDerWaalsContact O-N 3.09Å; N84-A86 PolarHBondContact O-N 2.64Å; N84-A86 WeakPolarHBondContact OD1-CB 3.46Å; N84-A86 PolarHBondContact OD1-N 3.37Å | ||
| 85 | K | 75.3 | Confident | 69.5 | Low | 198 Ų | 198 | 132.6 Ų | 132.6 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | -81.6 | 3.4 | 177.7 | -67.6 | -174.4 | 179.9 | -178.7 | 0 | 112.4 | A83 K87 | A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 3.5Å; K85-K87 PolarHBondContact O-N 2.98Å | ||
| 86 | A | 77.6 | Confident | 70.1 | Confident | 70 Ų | 70 | 124.7 Ų | 124.7 | 58% | 0.579 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -64.3 | 136.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | N84 R88 | N84-A86 PolarHBondContact O-N 2.64Å; N84-A86 WeakPolarHBondContact OD1-CB 3.46Å; N84-A86 PolarHBondContact OD1-N 3.37Å; A86-R88 PolarHBondContact O-N 3.49Å; A86-R88 VanDerWaalsContact O-N 3.15Å |
| 87 | K | 78.6 | Confident | 70.7 | Confident | 165 Ų | 165 | 123.6 Ų | 123.6 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | trans | -57.2 | 123.2 | 172.6 | -70.8 | -178.2 | 179.1 | 177.6 | 0 | 107.9 | K85 F89 | K85-K87 PolarHBondContact O-N 2.98Å; K87-F89 PolarHBondContact O-N 3.08Å | ||
| 88 | R | 82.2 | Confident | 71.2 | Confident | 220 Ų | 220 | 116.4 Ų | 116.4 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -51.2 | -31.6 | 178 | 177.3 | -178.2 | -89.1 | -96.7 | 2.2 | 112.2 | A86 | A86-R88 PolarHBondContact O-N 3.49Å; A86-R88 VanDerWaalsContact O-N 3.15Å |
| 89 | F | 81.4 | Confident | 72 | Confident | 157 Ų | 157 | 119.6 Ų | 119.6 | 69% | 0.689 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -128.4 | 121 | 173.9 | -53.3 | -72.2 | 0 | 0 | 0 | 108.8 | K87 | K87-F89 PolarHBondContact O-N 3.08Š|
| 90 | P | 76.1 | Confident | 72.4 | Confident | 112 Ų | 112 | 120.8 Ų | 120.8 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | -63.2 | 138.7 | 166.2 | 27.1 | -31.2 | 0 | 0 | 0 | 108.5 | F92 | P90-F92 PolarHBondContact O-N 2.98Š| ||
| 91 | S | 77.8 | Confident | 72.9 | Confident | 79 Ų | 79 | 121.9 Ų | 121.9 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -66.5 | 100 | 170.5 | 44 | 0 | 0 | 0 | 0 | 108 | H93 | S91-H93 PolarHBondContact O-N 3.34Š| ||
| 92 | F | 78.3 | Confident | 73 | Confident | 182 Ų | 182 | 124 Ų | 124 | 80% | 0.798 | 66% | 0.66 | S | S | * | * | trans | -74.9 | 103.2 | 172.6 | -170.7 | -95.5 | 0 | 0 | 0 | 107.9 | P90 | P90-F92 PolarHBondContact O-N 2.98Š| ||
| 93 | H | 72.2 | Confident | 73.1 | Confident | 149 Ų | 149 | 123.2 Ų | 123.2 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | trans | -83.5 | 114.1 | 161.7 | -62.6 | -77 | 0 | 0 | 0 | 105.7 | S91 D95 | S91-H93 PolarHBondContact O-N 3.34Å; H93-D95 PolarHBondContact O-N 3.09Å | ||
| 94 | S | 75.9 | Confident | 72.3 | Confident | 75 Ų | 75 | 126.6 Ų | 126.6 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | trans | -68.3 | 116.6 | 171 | 59.1 | 0 | 0 | 0 | 0 | 107.7 | G96 | S94-G96 PolarHBondContact O-N 3.28Å; S94-G96 VanDerWaalsContact O-N 3.11Å; S94-G96 VanDerWaalsContact O-O 3.13Å | ||
| 95 | D | 72.4 | Confident | 71.1 | Confident | 173 Ų | 173 | 126.4 Ų | 126.4 | 93% | 0.925 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -66.9 | -2.5 | 168.8 | -73.3 | -29.9 | 0 | 0 | 0 | 112.3 | H93 | H93-D95 PolarHBondContact O-N 3.09Š|
| 96 | G | 73.5 | Confident | 69.8 | Low | 39 Ų | 39 | 120.2 Ų | 120.2 | 40% | 0.402 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -73.1 | 137.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S94 G98 | S94-G96 PolarHBondContact O-N 3.28Å; S94-G96 VanDerWaalsContact O-N 3.11Å; S94-G96 VanDerWaalsContact O-O 3.13Å; G96-G98 PolarHBondContact O-N 3.3Å |
| 97 | P | 73.9 | Confident | 68.2 | Low | 59 Ų | 59 | 126.1 Ų | 126.1 | 38% | 0.383 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 140.8 | 178.2 | 33.1 | -38.5 | 0 | 0 | 0 | 108.9 | T101 Y102 | P97-T101 HydrophobicContact CB-CG2 3.61Å; P97-T101 WeakPolarHBondContact CB-OG1 3.07Å; P97-T101 HydrophobicContact CG-CG2 4.42Å; P97-Y102 VanDerWaalsContact CD-OH 3.22Å; P97-Y102 WeakPolarHBondContact CD-OH 3.37Å; P97-Y102 HydrophobicContact CG-CD2 4.37Å; P97-Y102 HydrophobicContact CG-CE1 3.97Å; P97-Y102 HydrophobicContact CG-CE2 3.47Å; P97-Y102 VanDerWaalsContact CG-CE2 3.47Å; P97-Y102 WeakPolarHBondContact CG-OH 3.01Å |
| 98 | G | 72.3 | Confident | 66.1 | Low | 33 Ų | 33 | 127.5 Ų | 127.5 | 34% | 0.34 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 159.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G96 E100 T101 | G96-G98 PolarHBondContact O-N 3.3Å; G98-E100 PolarHBondContact O-N 2.75Å; G98-T101 PolarHBondContact N-OG1 2.74Å; G98-T101 VanDerWaalsContact N-OG1 3.17Å; G98-T101 VanDerWaalsContact O-CB 3.3Å; G98-T101 WeakPolarHBondContact O-CB 3.45Å; G98-T101 PolarHBondContact O-N 2.85Å; G98-T101 PolarHBondContact O-OG1 2.79Å |
| 99 | P | 65.1 | Low | 64 | Low | 134 Ų | 134 | 119 Ų | 119 | 87% | 0.87 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -22.1 | -176.9 | 22 | -33.6 | 0 | 0 | 0 | 113.9 | T101 | P99-T101 VanDerWaalsContact C-N 3.29Å; P99-T101 PolarHBondContact O-N 3.36Å |
| 100 | E | 67.9 | Low | 62 | Low | 172 Ų | 172 | 116.4 Ų | 116.4 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -16.6 | 174 | -151.3 | 91.2 | -147.4 | 0 | 0 | 114.3 | G98 | G98-E100 PolarHBondContact O-N 2.75Š|
| 101 | T | 68.7 | Low | 60.1 | Low | 91 Ų | 91 | 121.1 Ų | 121.1 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -87 | -21.5 | -166.2 | -37.8 | 0 | 0 | 0 | 0 | 113.3 | P97 G98 P99 | P97-T101 HydrophobicContact CB-CG2 3.61Å; P97-T101 WeakPolarHBondContact CB-OG1 3.07Å; P97-T101 HydrophobicContact CG-CG2 4.42Å; G98-T101 PolarHBondContact N-OG1 2.74Å; G98-T101 VanDerWaalsContact N-OG1 3.17Å; G98-T101 VanDerWaalsContact O-CB 3.3Å; G98-T101 WeakPolarHBondContact O-CB 3.45Å; G98-T101 PolarHBondContact O-N 2.85Å; G98-T101 PolarHBondContact O-OG1 2.79Å; P99-T101 VanDerWaalsContact C-N 3.29Å; P99-T101 PolarHBondContact O-N 3.36Å |
| 102 | Y | 62.5 | Low | 58.3 | Low | 156 Ų | 156 | 126.8 Ų | 126.8 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | trans | -96.6 | 97.4 | 179.4 | -61.7 | -71.6 | 0 | 0 | 0 | 110.9 | P97 I104 | P97-Y102 VanDerWaalsContact CD-OH 3.22Å; P97-Y102 WeakPolarHBondContact CD-OH 3.37Å; P97-Y102 HydrophobicContact CG-CD2 4.37Å; P97-Y102 HydrophobicContact CG-CE1 3.97Å; P97-Y102 HydrophobicContact CG-CE2 3.47Å; P97-Y102 VanDerWaalsContact CG-CE2 3.47Å; P97-Y102 WeakPolarHBondContact CG-OH 3.01Å; Y102-I104 PolarHBondContact O-N 2.87Å | ||
| 103 | N | 62.5 | Low | 56.4 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | trans | -76.8 | 101.2 | 167.7 | -172.4 | -1.6 | 0 | 0 | 0 | 109.7 | V105 | N103-V105 PolarHBondContact O-N 2.71Š| ||
| 104 | I | 52.4 | Low | 54.9 | Low | 142 Ų | 142 | 122.3 Ų | 122.3 | 73% | 0.728 | 66% | 0.657 | S | S | * | * | trans | -81.6 | 98.2 | 177.9 | -36.1 | 172.5 | 0 | 0 | 0 | 108.8 | Y102 S106 | Y102-I104 PolarHBondContact O-N 2.87Å; I104-S106 PolarHBondContact O-N 3.29Å; I104-S106 VanDerWaalsContact O-N 3.15Å | ||
| 105 | V | 46.6 | Very low | 53.7 | Low | 127 Ų | 127 | 124.2 Ų | 124.2 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | trans | -78 | 97.1 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | N103 | N103-V105 PolarHBondContact O-N 2.71Š| ||
| 106 | S | 47.5 | Very low | 51.7 | Low | 67 Ų | 67 | 124.5 Ų | 124.5 | 47% | 0.469 | 66% | 0.662 | S | S | . | * | trans | -92.3 | 137 | 172 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | I104 W108 | I104-S106 PolarHBondContact O-N 3.29Å; I104-S106 VanDerWaalsContact O-N 3.15Å; S106-W108 VanDerWaalsContact C-N 3.26Å; S106-W108 PolarHBondContact O-N 3.47Å | ||
| 107 | K | 44.3 | Very low | 49.9 | Very low | 194 Ų | 194 | 127.2 Ų | 127.2 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -6.3 | -170.6 | -16.4 | -177.4 | -174 | -176 | 0 | 114.7 | ||
| 108 | W | 34.2 | Very low | 48 | Very low | 194 Ų | 194 | 129.9 Ų | 129.9 | 74% | 0.735 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 6.7 | -165.2 | -68.3 | 99.7 | 0 | 0 | 0 | 114.6 | S106 V110 | S106-W108 VanDerWaalsContact C-N 3.26Å; S106-W108 PolarHBondContact O-N 3.47Å; W108-V110 PolarHBondContact O-N 3.41Å |
| 109 | A | 38.4 | Very low | 46.1 | Very low | 41 Ų | 41 | 139.9 Ų | 139.9 | 34% | 0.339 | 72% | 0.72 | S | S | . | * | trans | -87.1 | 88 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E142 | A109-E142 WeakPolarHBondContact CA-OE2 3.46Å; A109-E142 HydrophobicContact CB-CB 4.3Å; A109-E142 HydrophobicContact CB-CG 4.36Å | ||
| 110 | V | 39.3 | Very low | 44.5 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 62% | 0.624 | 72% | 0.721 | S | S | * | * | trans | -121.3 | 101 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | W108 K112 E142 | W108-V110 PolarHBondContact O-N 3.41Å; V110-K112 PolarHBondContact O-N 3.41Å; V110-K112 VanDerWaalsContact O-N 3.11Å; V110-E142 VanDerWaalsContact C-OE1 3.3Å; V110-E142 PolarHBondContact N-OE2 3.43Å; V110-E142 VanDerWaalsContact O-OE1 3.09Å | ||
| 111 | R | 37 | Very low | 42.9 | Very low | 211 Ų | 211 | 138.4 Ų | 138.4 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 117.4 | 171.7 | -64 | -175.5 | -175.1 | -167.3 | -0.6 | 111 | E142 | R111-E142 PolarHBondContact N-OE1 3.2Š|
| 112 | K | 39.6 | Very low | 41.9 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 131.9 | 153.1 | -77 | -87.9 | -177 | 169.9 | 0 | 108.3 | V110 | V110-K112 PolarHBondContact O-N 3.41Å; V110-K112 VanDerWaalsContact O-N 3.11Å |
| 113 | A | 38.4 | Very low | 40.6 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 133.1 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 114 | D | 39.7 | Very low | 39.1 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 134 | 173.9 | -94.7 | -41.3 | 0 | 0 | 0 | 112 | H116 | D114-H116 VanDerWaalsContact C-N 3.28Å; D114-H116 PolarHBondContact O-N 3.16Å |
| 115 | P | 51 | Low | 38.2 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -6.2 | 178.1 | -19.5 | 32.2 | 0 | 0 | 0 | 116.3 | ||
| 116 | H | 31.3 | Very low | 37.4 | Very low | 179 Ų | 179 | 150.9 Ų | 150.9 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 24.3 | -173.2 | -71.7 | -63.1 | 0 | 0 | 0 | 115.5 | D114 | D114-H116 VanDerWaalsContact C-N 3.28Å; D114-H116 PolarHBondContact O-N 3.16Å |
| 117 | S | 36 | Very low | 36.6 | Very low | 96 Ų | 96 | 156.7 Ų | 156.7 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -109.1 | 109.2 | 164.5 | -135.6 | 0 | 0 | 0 | 0 | 110.5 | R119 | S117-R119 PolarHBondContact O-N 3.1Š| ||
| 118 | P | 33.7 | Very low | 36 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -58.7 | 126.9 | 160.7 | -15.1 | 28.8 | 0 | 0 | 0 | 108.1 | L120 | P118-L120 PolarHBondContact O-N 3.15Š| ||
| 119 | R | 32 | Very low | 35.8 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -43.2 | 122.6 | 180 | -64.3 | 175.7 | 175.3 | 169.2 | -2.3 | 111.1 | S117 S121 | S117-R119 PolarHBondContact O-N 3.1Å; R119-S121 PolarHBondContact O-N 3.02Å | ||
| 120 | L | 31.5 | Very low | 35.6 | Very low | 170 Ų | 170 | 152 Ų | 152 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -58.7 | 121.8 | 166.1 | -76.9 | 174.1 | 0 | 0 | 0 | 108.7 | P118 | P118-L120 PolarHBondContact O-N 3.15Š| ||
| 121 | S | 34.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -64.2 | 132.8 | 169.5 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | R119 K123 | R119-S121 PolarHBondContact O-N 3.02Å; S121-K123 PolarHBondContact O-N 3.24Å | ||
| 122 | E | 47.4 | Very low | 35 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 17.9 | -169.5 | -159 | 165.4 | -170.2 | 0 | 0 | 116.7 | ||
| 123 | K | 35.5 | Very low | 34.9 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 4.9 | -166.8 | -81.5 | -170 | 174.6 | -177.3 | 0 | 118.3 | S121 | S121-K123 PolarHBondContact O-N 3.24Š|
| 124 | M | 31.9 | Very low | 34.6 | Very low | 186 Ų | 186 | 160.2 Ų | 160.2 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -146.4 | 91.5 | 169.6 | -73 | 174.9 | 152.7 | 0 | 0 | 107.3 | ||
| 125 | K | 32.1 | Very low | 34.3 | Very low | 188 Ų | 188 | 157.1 Ų | 157.1 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | S | Bend | -172.1 | 42.1 | 89.1 | -157.1 | 172.9 | -178.1 | 175.5 | 0 | 111.1 | Q127 | K125-Q127 VanDerWaalsContact C-N 3.28Å; K125-Q127 PolarHBondContact O-N 3.41Å | |
| 126 | N | 31.4 | Very low | 33.5 | Very low | 148 Ų | 148 | 161 Ų | 161 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | trans | -85.9 | 74.8 | 159.6 | -71 | -16.9 | 0 | 0 | 0 | 107.7 | ||||
| 127 | Q | 30.7 | Very low | 33.8 | Very low | 189 Ų | 189 | 163.4 Ų | 163.4 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -172.9 | 72.5 | 165 | -106.4 | 166.2 | 74.1 | 0 | 0 | 110.3 | K125 | K125-Q127 VanDerWaalsContact C-N 3.28Å; K125-Q127 PolarHBondContact O-N 3.41Å | ||
| 128 | S | 30.8 | Very low | 33.9 | Very low | 107 Ų | 107 | 166.8 Ų | 166.8 | 75% | 0.748 | 85% | 0.846 | S | S | * | * | trans | -166.8 | 75.1 | 140.5 | 60.8 | 0 | 0 | 0 | 0 | 106 | S130 | S128-S130 PolarHBondContact O-N 3.16Š| ||
| 129 | A | 30 | Very low | 34 | Very low | 109 Ų | 109 | 165.9 Ų | 165.9 | 90% | 0.901 | 84% | 0.838 | S | S | * | * | trans | -76.3 | 106.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 130 | S | 34 | Very low | 34.3 | Very low | 114 Ų | 114 | 157.9 Ų | 157.9 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -147.6 | 136 | 151.1 | 62.1 | 0 | 0 | 0 | 0 | 107.4 | S128 | S128-S130 PolarHBondContact O-N 3.16Š| ||
| 131 | E | 31.7 | Very low | 34.8 | Very low | 179 Ų | 179 | 158 Ų | 158 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 168.9 | -153.9 | -57.7 | 177.3 | 128.4 | 0 | 0 | 114.2 | ||||
| 132 | Q | 31.7 | Very low | 35.2 | Very low | 186 Ų | 186 | 157.4 Ų | 157.4 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 75.7 | 87.8 | 164.3 | -58.2 | -178 | -15.7 | 0 | 0 | 117.5 | ||||
| 133 | D | 37.1 | Very low | 35.1 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -174.4 | 126.3 | 103.6 | -165.4 | 13.3 | 0 | 0 | 0 | 110 | G135 | D133-G135 PolarHBondContact O-N 3.16Š| |||
| 134 | R | 33 | Very low | 35.5 | Very low | 251 Ų | 251 | 152.7 Ų | 152.7 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | trans | -91.2 | 94.5 | -167.4 | -72.6 | -177.1 | 176.1 | -177.3 | 0.4 | 110.3 | ||||
| 135 | G | 33.1 | Very low | 36.2 | Very low | 77 Ų | 77 | 148 Ų | 148 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -134.9 | 33.8 | 168 | 0 | 0 | 0 | 0 | 0 | 113.1 | D133 | D133-G135 PolarHBondContact O-N 3.16Š| ||
| 136 | K | 33.9 | Very low | 36.9 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -125 | 111.8 | -179.5 | -81.7 | 176.3 | -179.7 | 168.7 | 0 | 110.6 | ||||
| 137 | R | 37.5 | Very low | 37.7 | Very low | 229 Ų | 229 | 141.8 Ų | 141.8 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | 165.9 | 85.8 | 125.2 | -93.5 | 174 | 173.9 | -177.8 | -0.8 | 107.9 | T139 | R137-T139 VanDerWaalsContact C-N 3.27Å; R137-T139 PolarHBondContact O-N 3.19Å | |||
| 138 | L | 38.8 | Very low | 38.5 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | trans | -70.9 | 94.4 | 161.6 | -67.4 | 173.1 | 0 | 0 | 0 | 106.7 | S140 | L138-S140 PolarHBondContact O-N 3.26Å; L138-S140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | T | 35.6 | Very low | 39.6 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | trans | -66.4 | 104.5 | 172.6 | 42.7 | 0 | 0 | 0 | 0 | 108.3 | R137 Y141 | R137-T139 VanDerWaalsContact C-N 3.27Å; R137-T139 PolarHBondContact O-N 3.19Å; T139-Y141 PolarHBondContact O-N 3.33Å | ||
| 140 | S | 39.2 | Very low | 40.9 | Very low | 76 Ų | 76 | 149.9 Ų | 149.9 | 53% | 0.531 | 73% | 0.732 | S | S | . | * | trans | -40.5 | 115.8 | 166.5 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | L138 | L138-S140 PolarHBondContact O-N 3.26Å; L138-S140 VanDerWaalsContact O-N 3.09Å | ||
| 141 | Y | 41.8 | Very low | 42.7 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | -88.4 | 136.1 | 161.6 | 45.9 | -88.8 | 0 | 0 | 0 | 109.6 | T139 I143 | T139-Y141 PolarHBondContact O-N 3.33Å; Y141-I143 PolarHBondContact O-N 3Å | ||
| 142 | E | 42.6 | Very low | 44.9 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 44% | 0.439 | 71% | 0.705 | S | S | . | * | trans | -72.3 | 117.3 | 173.8 | -77 | 174.9 | 154.8 | 0 | 0 | 109.6 | A109 V110 R111 I144 | A109-E142 WeakPolarHBondContact CA-OE2 3.46Å; A109-E142 HydrophobicContact CB-CB 4.3Å; A109-E142 HydrophobicContact CB-CG 4.36Å; V110-E142 VanDerWaalsContact C-OE1 3.3Å; V110-E142 PolarHBondContact N-OE2 3.43Å; V110-E142 VanDerWaalsContact O-OE1 3.09Å; R111-E142 PolarHBondContact N-OE1 3.2Å; E142-I144 PolarHBondContact O-N 3.31Å | ||
| 143 | I | 43.9 | Very low | 47.2 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 71% | 0.708 | 68% | 0.684 | S | S | * | * | trans | -67.2 | 114.7 | 165.4 | -64.4 | 162.1 | 0 | 0 | 0 | 105.6 | Y141 P145 | Y141-I143 PolarHBondContact O-N 3Å; I143-P145 WeakPolarHBondContact O-CD 3.14Å; I143-P145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | I | 44.9 | Very low | 49.2 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | trans | -65.4 | 110.9 | 161.4 | -61.7 | 173.1 | 0 | 0 | 0 | 104.5 | E142 D146 | E142-I144 PolarHBondContact O-N 3.31Å; I144-D146 PolarHBondContact O-N 3.04Å | ||
| 145 | P | 47 | Very low | 51.6 | Low | 88 Ų | 88 | 131.7 Ų | 131.7 | 57% | 0.571 | 67% | 0.669 | S | S | * | * | trans | -67.7 | 113.5 | -180 | 27.9 | -29.2 | 0 | 0 | 0 | 106.1 | I143 V147 | I143-P145 WeakPolarHBondContact O-CD 3.14Å; I143-P145 VanDerWaalsContact O-N 3.12Å; P145-V147 HydrophobicContact CB-CG2 3.89Å; P145-V147 HydrophobicContact CG-CG2 3.95Å; P145-V147 PolarHBondContact O-N 3.04Å | ||
| 146 | D | 46.8 | Very low | 54 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | -59.2 | 86.3 | 152.6 | 179.5 | 26.9 | 0 | 0 | 0 | 105.5 | I144 R148 | I144-D146 PolarHBondContact O-N 3.04Å; D146-R148 PolarHBondContact O-N 3.41Å; D146-R148 WeakPolarHBondContact OD2-CG 3.41Å; D146-R148 IonicContact OD2-CZ 3.21Å; D146-R148 IonicContact OD2-NE 2.64Å; D146-R148 PolarHBondContact OD2-NE 3.34Å | ||
| 147 | V | 47.6 | Very low | 56.4 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | trans | -72.7 | 67.6 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 105.3 | P145 F149 | P145-V147 HydrophobicContact CB-CG2 3.89Å; P145-V147 HydrophobicContact CG-CG2 3.95Å; P145-V147 PolarHBondContact O-N 3.04Å; V147-F149 HydrophobicContact CG1-CD1 4.27Å; V147-F149 HydrophobicContact CG1-CE1 4.33Å; V147-F149 HydrophobicContact CG1-CG 4.37Å; V147-F149 PolarHBondContact O-N 3Å | ||
| 148 | R | 47.6 | Very low | 58.7 | Low | 191 Ų | 191 | 116.6 Ų | 116.6 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | trans | -56.1 | 99.2 | 140.6 | -69.3 | -173.7 | -66.6 | -163.2 | 0.2 | 103 | D146 R150 | D146-R148 PolarHBondContact O-N 3.41Å; D146-R148 WeakPolarHBondContact OD2-CG 3.41Å; D146-R148 IonicContact OD2-CZ 3.21Å; D146-R148 IonicContact OD2-NE 2.64Å; D146-R148 PolarHBondContact OD2-NE 3.34Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.3Å | ||
| 149 | F | 54.4 | Low | 60.6 | Low | 145 Ų | 145 | 115.7 Ų | 115.7 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | trans | -40.9 | 112.8 | 163.4 | -70.6 | -83 | 0 | 0 | 0 | 104.3 | V147 D151 | V147-F149 HydrophobicContact CG1-CD1 4.27Å; V147-F149 HydrophobicContact CG1-CE1 4.33Å; V147-F149 HydrophobicContact CG1-CG 4.37Å; V147-F149 PolarHBondContact O-N 3Å; F149-D151 PolarHBondContact O-N 3.48Å | ||
| 150 | R | 57.1 | Low | 63 | Low | 239 Ų | 239 | 116.2 Ų | 116.2 | 90% | 0.902 | 61% | 0.608 | S | S | * | * | trans | -66.1 | 94.9 | -171.9 | -75.6 | -175.9 | 172.8 | 179.7 | -2 | 105.1 | R148 V152 | R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.3Å; R150-V152 PolarHBondContact O-N 3.45Å; R150-V152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | D | 70.6 | Confident | 65.3 | Low | 154 Ų | 154 | 117.1 Ų | 117.1 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 121.8 | 161.3 | -75.9 | -22.6 | 0 | 0 | 0 | 105 | F149 | F149-D151 PolarHBondContact O-N 3.48Š|
| 152 | V | 78.3 | Confident | 67.5 | Low | 41 Ų | 41 | 113.3 Ų | 113.3 | 25% | 0.248 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -46.4 | 134.8 | -179.2 | 162.4 | 0 | 0 | 0 | 0 | 109.1 | R150 S154 Y164 L172 | R150-V152 PolarHBondContact O-N 3.45Å; R150-V152 VanDerWaalsContact O-N 3.08Å; V152-S154 PolarHBondContact O-N 3.42Å; V152-Y164 HydrophobicContact CB-CD1 4.3Å; V152-Y164 HydrophobicContact CB-CD2 4.42Å; V152-Y164 HydrophobicContact CB-CE1 4.21Å; V152-Y164 HydrophobicContact CB-CE2 4.33Å; V152-Y164 HydrophobicContact CB-CG 4.41Å; V152-Y164 HydrophobicContact CG1-CD1 3.88Å; V152-Y164 HydrophobicContact CG1-CD2 3.25Å; V152-Y164 HydrophobicContact CG1-CE1 3.73Å; V152-Y164 HydrophobicContact CG1-CE2 3.08Å; V152-Y164 HydrophobicContact CG1-CG 3.66Å; V152-Y164 HydrophobicContact CG2-CD1 3.45Å; V152-Y164 VanDerWaalsContact CG2-CD1 3.45Å; V152-Y164 HydrophobicContact CG2-CD2 4.39Å; V152-Y164 HydrophobicContact CG2-CE1 3.5Å; V152-Y164 HydrophobicContact CG2-CE2 4.43Å; V152-Y164 HydrophobicContact CG2-CG 3.92Å; V152-L172 HydrophobicContact CB-CD1 4.18Å; V152-L172 HydrophobicContact CG2-CB 3.74Å; V152-L172 HydrophobicContact CG2-CD1 4.07Å |
| 153 | P | 79.8 | Confident | 69.7 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 134.2 | 178 | 24.6 | -35.4 | 0 | 0 | 0 | 109.8 | I155 | P153-I155 PolarHBondContact O-N 2.88Š|
| 154 | S | 80.5 | Confident | 71.9 | Confident | 121 Ų | 121 | 105.6 Ų | 105.6 | 85% | 0.846 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -57.5 | -22.9 | -179.7 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | V152 | V152-S154 PolarHBondContact O-N 3.42Š|
| 155 | I | 82.7 | Confident | 74 | Confident | 129 Ų | 129 | 105 Ų | 105 | 66% | 0.662 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -117.2 | 109.8 | 172.4 | -55.7 | 174.9 | 0 | 0 | 0 | 107.7 | P153 S157 | P153-I155 PolarHBondContact O-N 2.88Å; I155-S157 PolarHBondContact O-N 3.2Å |
| 156 | P | 83.5 | Confident | 75.9 | Confident | 48 Ų | 48 | 107.3 Ų | 107.3 | 31% | 0.312 | 56% | 0.559 | S | S | . | * | trans | -63.8 | 135.7 | 174.7 | -13.8 | 26.1 | 0 | 0 | 0 | 110.5 | Y160 Y164 | P156-Y160 WeakPolarHBondContact CB-O 3.29Å; P156-Y164 HydrophobicContact CB-CE2 4.14Å; P156-Y164 HydrophobicContact CG-CE2 4.34Å | ||
| 157 | S | 83.9 | Confident | 77.8 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | trans | -138.5 | 151.5 | -179.2 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | I155 Y160 | I155-S157 PolarHBondContact O-N 3.2Å; S157-Y160 WeakPolarHBondContact O-CD2 3.47Å; S157-Y160 PolarHBondContact O-N 3.45Å | ||
| 158 | G | 85.5 | Confident | 79.7 | Confident | 59 Ų | 59 | 107.6 Ų | 107.6 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | 67.1 | -128.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y160 V161 | G158-Y160 PolarHBondContact O-N 3.44Å; G158-Y160 VanDerWaalsContact O-N 3.17Å; G158-V161 WeakPolarHBondContact O-CG2 3.39Å; G158-V161 PolarHBondContact O-N 3.39Å |
| 159 | D | 80.2 | Confident | 81.5 | Confident | 148 Ų | 148 | 105 Ų | 105 | 79% | 0.791 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -66.8 | -15.3 | -178.8 | -58.1 | -27.9 | 0 | 0 | 0 | 113.2 | ||
| 160 | Y | 85.6 | Confident | 82.9 | Confident | 107 Ų | 107 | 100 Ų | 100 | 42% | 0.42 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -90.4 | 3.8 | -179.9 | -52 | -65.6 | 0 | 0 | 0 | 113.8 | P156 S157 G158 H162 G163 Y164 P174 | P156-Y160 WeakPolarHBondContact CB-O 3.29Å; S157-Y160 WeakPolarHBondContact O-CD2 3.47Å; S157-Y160 PolarHBondContact O-N 3.45Å; G158-Y160 PolarHBondContact O-N 3.44Å; G158-Y160 VanDerWaalsContact O-N 3.17Å; Y160-H162 PolarHBondContact O-N 3Å; Y160-G163 PolarHBondContact O-N 2.97Å; Y160-Y164 WeakPolarHBondContact CB-OH 3.39Å; Y160-Y164 HydrophobicContact CD1-CE1 4.18Å; Y160-Y164 AromaticContact CD1-CZ 3.98Å; Y160-Y164 AromaticContact CG-CZ 3.94Å; Y160-Y164 VanDerWaalsContact CG-OH 3.26Å; Y160-P174 HydrophobicContact CD1-CB 3.44Å; Y160-P174 VanDerWaalsContact CD1-CB 3.44Å; Y160-P174 HydrophobicContact CD1-CG 4.31Å; Y160-P174 HydrophobicContact CE1-CB 3.66Å; Y160-P174 HydrophobicContact CE1-CG 4.01Å |
| 161 | V | 86.9 | Confident | 84.2 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -25.6 | -178.6 | 166.8 | 0 | 0 | 0 | 0 | 112.8 | G158 G163 | G158-V161 WeakPolarHBondContact O-CG2 3.39Å; G158-V161 PolarHBondContact O-N 3.39Å; V161-G163 PolarHBondContact O-N 3.25Å |
| 162 | H | 87.1 | Confident | 85 | Confident | 92 Ų | 92 | 92.5 Ų | 92.5 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -3.3 | 176.8 | -58.6 | -64.1 | 0 | 0 | 0 | 114.4 | Y160 Q175 G177 | Y160-H162 PolarHBondContact O-N 3Å; H162-Q175 PolarHBondContact O-OE1 3.16Å; H162-Q175 VanDerWaalsContact O-OE1 3.08Å; H162-G177 WeakPolarHBondContact CD2-CA 3.2Å; H162-G177 PolarHBondContact CD2-N 3.27Å; H162-G177 WeakPolarHBondContact NE2-CA 3.28Å |
| 163 | G | 89.8 | Confident | 85.3 | Confident | 18 Ų | 18 | 95.5 Ų | 95.5 | 19% | 0.186 | 53% | 0.529 | C | S | . | . | trans | 91.3 | -164 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y160 V161 Q175 | Y160-G163 PolarHBondContact O-N 2.97Å; V161-G163 PolarHBondContact O-N 3.25Å; G163-Q175 PolarHBondContact O-N 3.29Å | ||
| 164 | Y | 89.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 95.9 Ų | 95.9 | 20% | 0.204 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142 | -175.9 | -62.1 | -104.2 | 0 | 0 | 0 | 109.9 | V152 P156 Y160 H173 P174 | V152-Y164 HydrophobicContact CB-CD1 4.3Å; V152-Y164 HydrophobicContact CB-CD2 4.42Å; V152-Y164 HydrophobicContact CB-CE1 4.21Å; V152-Y164 HydrophobicContact CB-CE2 4.33Å; V152-Y164 HydrophobicContact CB-CG 4.41Å; V152-Y164 HydrophobicContact CG1-CD1 3.88Å; V152-Y164 HydrophobicContact CG1-CD2 3.25Å; V152-Y164 HydrophobicContact CG1-CE1 3.73Å; V152-Y164 HydrophobicContact CG1-CE2 3.08Å; V152-Y164 HydrophobicContact CG1-CG 3.66Å; V152-Y164 HydrophobicContact CG2-CD1 3.45Å; V152-Y164 VanDerWaalsContact CG2-CD1 3.45Å; V152-Y164 HydrophobicContact CG2-CD2 4.39Å; V152-Y164 HydrophobicContact CG2-CE1 3.5Å; V152-Y164 HydrophobicContact CG2-CE2 4.43Å; V152-Y164 HydrophobicContact CG2-CG 3.92Å; P156-Y164 HydrophobicContact CB-CE2 4.14Å; P156-Y164 HydrophobicContact CG-CE2 4.34Å; Y160-Y164 WeakPolarHBondContact CB-OH 3.39Å; Y160-Y164 HydrophobicContact CD1-CE1 4.18Å; Y160-Y164 AromaticContact CD1-CZ 3.98Å; Y160-Y164 AromaticContact CG-CZ 3.94Å; Y160-Y164 VanDerWaalsContact CG-OH 3.26Å; Y164-H173 CarbonylContact C-O 3.59Å; Y164-H173 WeakPolarHBondContact CA-O 3.44Å; Y164-H173 WeakPolarHBondContact CB-O 3.47Å; Y164-P174 HydrophobicContact CD1-CB 4.04Å; Y164-P174 HydrophobicContact CE1-CB 3.93Å |
| 165 | E | 89.2 | Confident | 86.1 | Confident | 130 Ų | 130 | 94.8 Ų | 94.8 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.4 | 175.8 | -177.7 | 174.5 | -169.8 | 0 | 0 | 109.8 | G167 L172 H173 | E165-G167 PolarHBondContact O-N 2.97Å; E165-L172 CarbonylContact O-C 3.54Å; E165-L172 WeakPolarHBondContact O-CA 3.13Å; E165-H173 PolarHBondContact N-O 2.71Å; E165-H173 PolarHBondContact O-N 3.24Å |
| 166 | E | 88.1 | Confident | 86.3 | Confident | 135 Ų | 135 | 93.8 Ų | 93.8 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 119.7 | 176.7 | -165.9 | 174.1 | -179.9 | 0 | 0 | 110.3 | G170 L172 | E166-G170 WeakPolarHBondContact OE1-CA 3.39Å; E166-L172 HydrophobicContact CB-CD2 3.92Å; E166-L172 HydrophobicContact CG-CD2 4.27Å |
| 167 | G | 86 | Confident | 86.3 | Confident | 24 Ų | 24 | 92.8 Ų | 92.8 | 25% | 0.247 | 52% | 0.516 | C | S | . | . | trans | -75.3 | 169.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | E165 D169 G170 R171 | E165-G167 PolarHBondContact O-N 2.97Å; G167-D169 PolarHBondContact O-N 3.37Å; G167-G170 PolarHBondContact O-N 3.26Å; G167-R171 PolarHBondContact N-O 3.45Å | ||
| 168 | L | 86.5 | Confident | 86.3 | Confident | 187 Ų | 187 | 93.5 Ų | 93.5 | 98% | 0.979 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.8 | -178.2 | -63.6 | 173.2 | 0 | 0 | 0 | 114.3 | G170 | L168-G170 VanDerWaalsContact C-N 3.27Å; L168-G170 PolarHBondContact O-N 2.98Å |
| 169 | D | 87.2 | Confident | 86 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 73% | 0.733 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 5.9 | 178 | -56.4 | -28.1 | 0 | 0 | 0 | 113.5 | G167 R171 | G167-D169 PolarHBondContact O-N 3.37Å; D169-R171 VanDerWaalsContact C-N 3.26Å; D169-R171 HydrophobicContact CB-CG 4.31Å; D169-R171 PolarHBondContact O-N 2.91Å |
| 170 | G | 83.7 | Confident | 85.8 | Confident | 39 Ų | 39 | 102.7 Ų | 102.7 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 76.2 | 9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E166 G167 L168 | E166-G170 WeakPolarHBondContact OE1-CA 3.39Å; G167-G170 PolarHBondContact O-N 3.26Å; L168-G170 VanDerWaalsContact C-N 3.27Å; L168-G170 PolarHBondContact O-N 2.98Å |
| 171 | R | 84.5 | Confident | 85.4 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | trans | -87.8 | 125.8 | -178.1 | -72 | -176.2 | 173 | 179.8 | 0.7 | 111.5 | G167 D169 H173 | G167-R171 PolarHBondContact N-O 3.45Å; D169-R171 VanDerWaalsContact C-N 3.26Å; D169-R171 HydrophobicContact CB-CG 4.31Å; D169-R171 PolarHBondContact O-N 2.91Å; R171-H173 PolarHBondContact O-CE1 2.88Å; R171-H173 PolarHBondContact O-N 3.15Å; R171-H173 PolarHBondContact O-ND1 3.43Å | ||
| 172 | L | 85.4 | Confident | 84.9 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.3 | 176.8 | -64 | 179.5 | 0 | 0 | 0 | 111.7 | V152 E165 E166 | V152-L172 HydrophobicContact CB-CD1 4.18Å; V152-L172 HydrophobicContact CG2-CB 3.74Å; V152-L172 HydrophobicContact CG2-CD1 4.07Å; E165-L172 CarbonylContact O-C 3.54Å; E165-L172 WeakPolarHBondContact O-CA 3.13Å; E166-L172 HydrophobicContact CB-CD2 3.92Å; E166-L172 HydrophobicContact CG-CD2 4.27Å |
| 173 | H | 86.5 | Confident | 84.6 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.7 | 174.5 | -65.1 | 81.2 | 0 | 0 | 0 | 110.1 | Y164 E165 R171 Q175 | Y164-H173 CarbonylContact C-O 3.59Å; Y164-H173 WeakPolarHBondContact CA-O 3.44Å; Y164-H173 WeakPolarHBondContact CB-O 3.47Å; E165-H173 PolarHBondContact N-O 2.71Å; E165-H173 PolarHBondContact O-N 3.24Å; R171-H173 PolarHBondContact O-CE1 2.88Å; R171-H173 PolarHBondContact O-N 3.15Å; R171-H173 PolarHBondContact O-ND1 3.43Å; H173-Q175 PolarHBondContact O-N 3.32Å |
| 174 | P | 88.9 | Confident | 84 | Confident | 73 Ų | 73 | 107.2 Ų | 107.2 | 47% | 0.474 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66 | 132.4 | -179.3 | 28 | -35.1 | 0 | 0 | 0 | 111.9 | Y160 Y164 | Y160-P174 HydrophobicContact CD1-CB 3.44Å; Y160-P174 VanDerWaalsContact CD1-CB 3.44Å; Y160-P174 HydrophobicContact CD1-CG 4.31Å; Y160-P174 HydrophobicContact CE1-CB 3.66Å; Y160-P174 HydrophobicContact CE1-CG 4.01Å; Y164-P174 HydrophobicContact CD1-CB 4.04Å; Y164-P174 HydrophobicContact CE1-CB 3.93Å |
| 175 | Q | 88.3 | Confident | 83.4 | Confident | 99 Ų | 99 | 105.5 Ų | 105.5 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -79.3 | 129 | 178.1 | -169.5 | 175.4 | 12.8 | 0 | 0 | 110.1 | H162 G163 H173 | H162-Q175 PolarHBondContact O-OE1 3.16Å; H162-Q175 VanDerWaalsContact O-OE1 3.08Å; G163-Q175 PolarHBondContact O-N 3.29Å; H173-Q175 PolarHBondContact O-N 3.32Å |
| 176 | S | 85.8 | Confident | 82.5 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 76% | 0.755 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.9 | 172 | 63 | 0 | 0 | 0 | 0 | 110.3 | ||
| 177 | G | 83.6 | Confident | 81.4 | Confident | 26 Ų | 26 | 102.1 Ų | 102.1 | 27% | 0.268 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 160.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H162 K179 | H162-G177 WeakPolarHBondContact CD2-CA 3.2Å; H162-G177 PolarHBondContact CD2-N 3.27Å; H162-G177 WeakPolarHBondContact NE2-CA 3.28Å; G177-K179 PolarHBondContact O-N 3.46Å |
| 178 | P | 83.2 | Confident | 80.5 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 61% | 0.61 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 133.5 | 173.6 | 27 | -33.4 | 0 | 0 | 0 | 110.3 | R180 | P178-R180 PolarHBondContact O-N 3.45Š|
| 179 | K | 81.1 | Confident | 79.6 | Confident | 221 Ų | 221 | 104.8 Ų | 104.8 | 96% | 0.961 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -61.2 | -26.7 | 179.6 | -66.9 | -177.8 | -179.7 | 178.2 | 0 | 113.5 | G177 | G177-K179 PolarHBondContact O-N 3.46Š|
| 180 | R | 75.4 | Confident | 78.3 | Confident | 180 Ų | 180 | 100.7 Ų | 100.7 | 68% | 0.679 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -141.7 | 138.1 | 179.1 | 61.1 | -179.2 | 177.7 | 99.8 | -0.3 | 109.3 | P178 V182 | P178-R180 PolarHBondContact O-N 3.45Å; R180-V182 HydrophobicContact CG-CG2 4.17Å; R180-V182 PolarHBondContact O-N 3.02Å |
| 181 | D | 77.3 | Confident | 77.2 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | trans | -73.6 | 118.5 | 170.9 | -171.6 | 0.4 | 0 | 0 | 0 | 109 | T183 | D181-T183 VanDerWaalsContact CG-OG1 3.31Å; D181-T183 WeakPolarHBondContact OD1-CB 3.47Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.48Å; D181-T183 PolarHBondContact OD1-N 3.49Å; D181-T183 PolarHBondContact OD1-OG1 2.67Å; D181-T183 PolarHBondContact OD2-OG1 3.47Å | ||
| 182 | V | 76.5 | Confident | 76.1 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | trans | -100.9 | -3.7 | 178.5 | -162.5 | 0 | 0 | 0 | 0 | 110.8 | R180 | R180-V182 HydrophobicContact CG-CG2 4.17Å; R180-V182 PolarHBondContact O-N 3.02Å | ||
| 183 | T | 80.6 | Confident | 74.9 | Confident | 88 Ų | 88 | 108 Ų | 108 | 54% | 0.54 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -66.7 | 138.3 | 178.3 | 66.8 | 0 | 0 | 0 | 0 | 109.6 | D181 G185 F188 | D181-T183 VanDerWaalsContact CG-OG1 3.31Å; D181-T183 WeakPolarHBondContact OD1-CB 3.47Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.48Å; D181-T183 PolarHBondContact OD1-N 3.49Å; D181-T183 PolarHBondContact OD1-OG1 2.67Å; D181-T183 PolarHBondContact OD2-OG1 3.47Å; T183-G185 PolarHBondContact O-N 3.46Å; T183-F188 VanDerWaalsContact O-CB 3.31Å; T183-F188 WeakPolarHBondContact O-CB 3.47Å |
| 184 | L | 77.6 | Confident | 73.6 | Confident | 142 Ų | 142 | 108.6 Ų | 108.6 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -70.2 | 73.1 | 173.8 | -69.3 | 171.4 | 0 | 0 | 0 | 109.6 | F188 | L184-F188 HydrophobicContact CD2-CD1 3.7Å; L184-F188 HydrophobicContact CD2-CD2 4.3Å; L184-F188 HydrophobicContact CD2-CE1 3.56Å; L184-F188 HydrophobicContact CD2-CE2 4.19Å; L184-F188 HydrophobicContact CD2-CG 4.08Å; L184-F188 HydrophobicContact CD2-CZ 3.83Å |
| 185 | G | 76.4 | Confident | 72 | Confident | 16 Ų | 16 | 110.3 Ų | 110.3 | 17% | 0.165 | 61% | 0.611 | C | S | . | * | S | Bend | trans | -122.6 | -179.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | T183 A187 F188 Y189 | T183-G185 PolarHBondContact O-N 3.46Å; G185-A187 PolarHBondContact O-N 2.92Å; G185-F188 VanDerWaalsContact O-CB 3.22Å; G185-F188 WeakPolarHBondContact O-CB 3.01Å; G185-F188 PolarHBondContact O-N 3.44Å; G185-Y189 WeakPolarHBondContact O-CD2 3.49Å |
| 186 | P | 69.4 | Low | 70.6 | Confident | 127 Ų | 127 | 111.9 Ų | 111.9 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -29 | 177.9 | -24.1 | 32.6 | 0 | 0 | 0 | 113.8 | ||
| 187 | A | 65.6 | Low | 69.3 | Low | 68 Ų | 68 | 115.4 Ų | 115.4 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -23.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G185 | G185-A187 PolarHBondContact O-N 2.92Š|
| 188 | F | 67.7 | Low | 68 | Low | 100 Ų | 100 | 120.7 Ų | 120.7 | 44% | 0.439 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -38.1 | 178.6 | -173.4 | -94.5 | 0 | 0 | 0 | 112.2 | T183 L184 G185 G190 | T183-F188 VanDerWaalsContact O-CB 3.31Å; T183-F188 WeakPolarHBondContact O-CB 3.47Å; L184-F188 HydrophobicContact CD2-CD1 3.7Å; L184-F188 HydrophobicContact CD2-CD2 4.3Å; L184-F188 HydrophobicContact CD2-CE1 3.56Å; L184-F188 HydrophobicContact CD2-CE2 4.19Å; L184-F188 HydrophobicContact CD2-CG 4.08Å; L184-F188 HydrophobicContact CD2-CZ 3.83Å; G185-F188 VanDerWaalsContact O-CB 3.22Å; G185-F188 WeakPolarHBondContact O-CB 3.01Å; G185-F188 PolarHBondContact O-N 3.44Å; F188-G190 PolarHBondContact O-N 2.9Å |
| 189 | Y | 66.6 | Low | 67.1 | Low | 166 Ų | 166 | 127.3 Ų | 127.3 | 65% | 0.651 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -74.1 | 65.2 | 168.2 | -49 | -76.7 | 0 | 0 | 0 | 108.2 | G185 P191 | G185-Y189 WeakPolarHBondContact O-CD2 3.49Å; Y189-P191 WeakPolarHBondContact O-CD 3.37Å |
| 190 | G | 60.6 | Low | 66.6 | Low | 52 Ų | 52 | 127.2 Ų | 127.2 | 54% | 0.536 | 66% | 0.664 | S | S | . | * | trans | -47 | 109.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | F188 T192 | F188-G190 PolarHBondContact O-N 2.9Å; G190-T192 PolarHBondContact O-N 2.86Å | ||
| 191 | P | 61.2 | Low | 66 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | trans | -60.3 | 119.5 | -174.7 | 20.4 | -29.6 | 0 | 0 | 0 | 106.1 | Y189 K193 | Y189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-K193 PolarHBondContact O-N 3.21Å | ||
| 192 | T | 60 | Low | 66 | Low | 108 Ų | 108 | 125.8 Ų | 125.8 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | trans | -42.1 | 131.9 | 174.3 | -51.2 | 0 | 0 | 0 | 0 | 107.6 | G190 D194 | G190-T192 PolarHBondContact O-N 2.86Å; T192-D194 HydrophobicContact CG2-CB 4.33Å; T192-D194 CarbonylContact O-C 3.59Å; T192-D194 PolarHBondContact O-N 3.15Å | ||
| 193 | K | 61 | Low | 65.9 | Low | 202 Ų | 202 | 125.7 Ų | 125.7 | 88% | 0.878 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -59.2 | 2.4 | -176 | -67.7 | -178.3 | -179.6 | 177.5 | 0 | 114.2 | P191 P195 | P191-K193 PolarHBondContact O-N 3.21Å; K193-P195 VanDerWaalsContact C-CD 3.42Å; K193-P195 WeakPolarHBondContact O-CD 3.38Å |
| 194 | D | 58.3 | Low | 65.4 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | trans | -100.1 | 86 | 174.9 | -55.2 | -33.8 | 0 | 0 | 0 | 108.9 | T192 V196 | T192-D194 HydrophobicContact CG2-CB 4.33Å; T192-D194 CarbonylContact O-C 3.59Å; T192-D194 PolarHBondContact O-N 3.15Å; D194-V196 PolarHBondContact O-N 2.88Å | ||
| 195 | P | 56.3 | Low | 65 | Low | 108 Ų | 108 | 126.9 Ų | 126.9 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -70.4 | 86.1 | 172 | 31.5 | -35.6 | 0 | 0 | 0 | 108.7 | K193 F197 | K193-P195 VanDerWaalsContact C-CD 3.42Å; K193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-F197 PolarHBondContact O-N 3.44Å | ||
| 196 | V | 57.8 | Low | 64.6 | Low | 132 Ų | 132 | 131.6 Ų | 131.6 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | trans | -80.7 | 17.2 | 161.8 | -164.5 | 0 | 0 | 0 | 0 | 110.3 | D194 T198 | D194-V196 PolarHBondContact O-N 2.88Å; V196-T198 PolarHBondContact O-N 3.17Å | ||
| 197 | F | 58.6 | Low | 64.7 | Low | 182 Ų | 182 | 134.1 Ų | 134.1 | 80% | 0.798 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -83.2 | 104.3 | 162.1 | -73.6 | -75.5 | 0 | 0 | 0 | 108.5 | P195 R199 | P195-F197 PolarHBondContact O-N 3.44Å; F197-R199 PolarHBondContact O-N 2.79Å |
| 198 | T | 57 | Low | 64.8 | Low | 137 Ų | 137 | 134.6 Ų | 134.6 | 84% | 0.84 | 69% | 0.694 | S | S | * | * | trans | -42.6 | 110.2 | 167.9 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | V196 Y200 | V196-T198 PolarHBondContact O-N 3.17Å; T198-Y200 PolarHBondContact O-N 2.79Å | ||
| 199 | R | 65.2 | Low | 64.7 | Low | 233 Ų | 233 | 135.9 Ų | 135.9 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | trans | -51.4 | 125.9 | -177.1 | -70.1 | -172.8 | -89.3 | -169.5 | -5.7 | 109.9 | F197 K201 | F197-R199 PolarHBondContact O-N 2.79Å; R199-K201 PolarHBondContact O-N 2.91Å | ||
| 200 | Y | 70.3 | Confident | 64.8 | Low | 219 Ų | 219 | 132.2 Ų | 132.2 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | trans | -48.8 | 109.9 | 171.7 | 174.2 | -112.3 | 0 | 0 | 0 | 109.9 | T198 G202 | T198-Y200 PolarHBondContact O-N 2.79Å; Y200-G202 PolarHBondContact O-N 3.46Å | ||
| 201 | K | 62.7 | Low | 65.2 | Low | 212 Ų | 212 | 137.7 Ų | 137.7 | 92% | 0.922 | 72% | 0.72 | S | S | * | * | trans | -81.2 | 51.3 | 174 | -67.1 | -169.8 | 179.3 | -178.9 | 0 | 110.4 | R199 | R199-K201 PolarHBondContact O-N 2.91Š| ||
| 202 | G | 77.5 | Confident | 65.5 | Low | 27 Ų | 27 | 143.3 Ų | 143.3 | 28% | 0.278 | 73% | 0.726 | S | S | . | * | trans | -63.5 | 166.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y200 G204 | Y200-G202 PolarHBondContact O-N 3.46Å; G202-G204 PolarHBondContact O-N 3.3Å | ||
| 203 | C | 73.4 | Confident | 65.4 | Low | 84 Ų | 84 | 148.7 Ų | 148.7 | 57% | 0.568 | 74% | 0.736 | S | S | * | * | trans | -56 | 110.6 | 179 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | W205 | C203-W205 PolarHBondContact O-N 3.47Å; C203-W205 VanDerWaalsContact O-N 3.09Å | ||
| 204 | G | 69.9 | Low | 65.5 | Low | 40 Ų | 40 | 146 Ų | 146 | 41% | 0.412 | 73% | 0.73 | S | S | . | * | G | 310 helix | trans | -80.3 | 27.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G202 S206 K207 S208 | G202-G204 PolarHBondContact O-N 3.3Å; G204-S206 PolarHBondContact O-N 2.9Å; G204-K207 CarbonylContact O-C 3.39Å; G204-K207 WeakPolarHBondContact O-CA 3.48Å; G204-K207 PolarHBondContact O-N 3.1Å; G204-S208 PolarHBondContact O-N 3.28Å; G204-S208 VanDerWaalsContact O-N 3.13Å |
| 205 | W | 69.8 | Low | 65.7 | Low | 216 Ų | 216 | 147 Ų | 147 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -58.2 | -33.8 | 178.6 | -67.7 | -28.5 | 0 | 0 | 0 | 112.5 | C203 K207 S208 | C203-W205 PolarHBondContact O-N 3.47Å; C203-W205 VanDerWaalsContact O-N 3.09Å; W205-K207 PolarHBondContact O-N 2.94Å; W205-S208 PolarHBondContact O-N 3.49Å |
| 206 | S | 67.9 | Low | 65.9 | Low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -65.9 | -19.4 | 174.4 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | G204 | G204-S206 PolarHBondContact O-N 2.9Š|
| 207 | K | 70.8 | Confident | 65.9 | Low | 180 Ų | 180 | 154 Ų | 154 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -99.8 | -7.7 | 176.4 | -61.5 | -174 | 179.7 | -177.7 | 0 | 113.2 | G204 W205 T209 | G204-K207 CarbonylContact O-C 3.39Å; G204-K207 WeakPolarHBondContact O-CA 3.48Å; G204-K207 PolarHBondContact O-N 3.1Å; W205-K207 PolarHBondContact O-N 2.94Å; K207-T209 PolarHBondContact O-N 3.41Å |
| 208 | S | 68.9 | Low | 65.8 | Low | 79 Ų | 79 | 148.8 Ų | 148.8 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | trans | -77.2 | 79.2 | 175 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | G204 W205 S210 | G204-S208 PolarHBondContact O-N 3.28Å; G204-S208 VanDerWaalsContact O-N 3.13Å; W205-S208 PolarHBondContact O-N 3.49Å; S208-S210 PolarHBondContact O-N 2.9Å | ||
| 209 | T | 65.2 | Low | 65.9 | Low | 126 Ų | 126 | 146.5 Ų | 146.5 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -79.1 | 40.6 | 165.1 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | K207 E211 | K207-T209 PolarHBondContact O-N 3.41Å; T209-E211 PolarHBondContact O-N 3.49Å | ||
| 210 | S | 68.6 | Low | 65.4 | Low | 90 Ų | 90 | 141.5 Ų | 141.5 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | trans | -65.8 | 91.9 | 171.9 | -176.1 | 0 | 0 | 0 | 0 | 106.9 | S208 R212 | S208-S210 PolarHBondContact O-N 2.9Å; S210-R212 PolarHBondContact O-N 3Å | ||
| 211 | E | 69.7 | Low | 64.9 | Low | 167 Ų | 167 | 137 Ų | 137 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | trans | -53.5 | 128.4 | 165.8 | -66.8 | -169.1 | 161.2 | 0 | 0 | 106.9 | T209 Y213 | T209-E211 PolarHBondContact O-N 3.49Å; E211-Y213 PolarHBondContact O-N 3.36Å | ||
| 212 | R | 66.6 | Low | 64.8 | Low | 235 Ų | 235 | 129.4 Ų | 129.4 | 89% | 0.887 | 69% | 0.685 | S | S | * | * | trans | -62.8 | 114.5 | 169.6 | -66.7 | -178 | -162.7 | 171.5 | 5.2 | 105.3 | S210 L214 | S210-R212 PolarHBondContact O-N 3Å; R212-L214 PolarHBondContact O-N 2.89Å | ||
| 213 | Y | 57.5 | Low | 64.2 | Low | 221 Ų | 221 | 129.8 Ų | 129.8 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | trans | -51.4 | 111.5 | 164.6 | -70.9 | -82.5 | 0 | 0 | 0 | 106.8 | E211 P215 | E211-Y213 PolarHBondContact O-N 3.36Å; Y213-P215 WeakPolarHBondContact O-CD 3.48Å | ||
| 214 | L | 62.9 | Low | 63.9 | Low | 146 Ų | 146 | 132.4 Ų | 132.4 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | trans | -60.5 | 121.3 | 167.8 | -67.3 | 174.7 | 0 | 0 | 0 | 104.9 | R212 Y216 | R212-L214 PolarHBondContact O-N 2.89Å; L214-Y216 PolarHBondContact O-N 3.48Å | ||
| 215 | P | 62.4 | Low | 64 | Low | 140 Ų | 140 | 134.1 Ų | 134.1 | 91% | 0.909 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -62.3 | -6 | -174 | 23.1 | -32.8 | 0 | 0 | 0 | 113.1 | Y213 | Y213-P215 WeakPolarHBondContact O-CD 3.48Š|
| 216 | Y | 61.6 | Low | 64 | Low | 157 Ų | 157 | 132 Ų | 132 | 62% | 0.616 | 72% | 0.72 | S | S | * | * | trans | -129.5 | 105.5 | 176.3 | -172.4 | -110.7 | 0 | 0 | 0 | 110.4 | L214 A218 | L214-Y216 PolarHBondContact O-N 3.48Å; Y216-A218 HydrophobicContact CD1-CB 3.92Å; Y216-A218 HydrophobicContact CE1-CB 3.59Å; Y216-A218 PolarHBondContact O-N 3.19Å | ||
| 217 | R | 56.8 | Low | 64 | Low | 229 Ų | 229 | 134.8 Ų | 134.8 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -71.5 | 106.8 | 157.1 | -174.3 | 176.8 | -171.1 | 174 | 2 | 105.4 | S219 | R217-S219 PolarHBondContact O-N 2.84Š| ||
| 218 | A | 56.6 | Low | 63.9 | Low | 73 Ų | 73 | 130.2 Ų | 130.2 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | trans | -65.6 | 84.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y216 N220 | Y216-A218 HydrophobicContact CD1-CB 3.92Å; Y216-A218 HydrophobicContact CE1-CB 3.59Å; Y216-A218 PolarHBondContact O-N 3.19Å; A218-N220 PolarHBondContact O-N 3.38Å | ||
| 219 | S | 59.2 | Low | 63.8 | Low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | trans | -77.7 | 81.3 | 164.8 | 62.3 | 0 | 0 | 0 | 0 | 106.6 | R217 | R217-S219 PolarHBondContact O-N 2.84Š| ||
| 220 | N | 54.8 | Low | 64 | Low | 127 Ų | 127 | 134 Ų | 134 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | trans | -173.3 | 96.1 | 153.4 | -86.1 | -25.1 | 0 | 0 | 0 | 107.1 | A218 V222 | A218-N220 PolarHBondContact O-N 3.38Å; N220-V222 HydrophobicContact CB-CG2 3.91Å; N220-V222 PolarHBondContact O-N 3.45Å | ||
| 221 | S | 59.4 | Low | 64.2 | Low | 126 Ų | 126 | 135.8 Ų | 135.8 | 88% | 0.881 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 88.2 | 157.4 | 52.6 | 0 | 0 | 0 | 0 | 107.3 | G223 | S221-G223 PolarHBondContact O-N 3.11Š| ||
| 222 | V | 62.1 | Low | 64.5 | Low | 51 Ų | 51 | 132 Ų | 132 | 31% | 0.309 | 69% | 0.685 | S | S | . | * | trans | -75.7 | 108.2 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 106.8 | N220 K226 Y227 | N220-V222 HydrophobicContact CB-CG2 3.91Å; N220-V222 PolarHBondContact O-N 3.45Å; V222-K226 HydrophobicContact CB-CB 4.5Å; V222-K226 HydrophobicContact CG1-CB 3.14Å; V222-K226 HydrophobicContact CG1-CG 4.48Å; V222-K226 VanDerWaalsContact CG1-O 3.29Å; V222-K226 WeakPolarHBondContact CG1-O 3.41Å; V222-Y227 WeakPolarHBondContact O-CE2 3.29Å; V222-Y227 PolarHBondContact O-OH 2.88Å | ||
| 223 | G | 64.5 | Low | 65.1 | Low | 36 Ų | 36 | 125.3 Ų | 125.3 | 37% | 0.371 | 67% | 0.672 | S | S | . | * | trans | -58.6 | 161.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S221 G225 K226 | S221-G223 PolarHBondContact O-N 3.11Å; G223-G225 PolarHBondContact O-N 3.24Å; G223-G225 VanDerWaalsContact O-N 3.08Å; G223-K226 PolarHBondContact O-N 2.89Å | ||
| 224 | P | 67.6 | Low | 66.2 | Low | 139 Ų | 139 | 123.3 Ų | 123.3 | 90% | 0.903 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 118.4 | -178.7 | 23.9 | -33.1 | 0 | 0 | 0 | 109.8 | ||
| 225 | G | 70.6 | Confident | 67.2 | Low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.3 | -6.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G223 | G223-G225 PolarHBondContact O-N 3.24Å; G223-G225 VanDerWaalsContact O-N 3.08Å |
| 226 | K | 70.3 | Confident | 68.2 | Low | 171 Ų | 171 | 121.1 Ų | 121.1 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -96.2 | 1.7 | 171.7 | -73.3 | -128 | -176.3 | -171.1 | 0 | 114.2 | V222 G223 D228 | V222-K226 HydrophobicContact CB-CB 4.5Å; V222-K226 HydrophobicContact CG1-CB 3.14Å; V222-K226 HydrophobicContact CG1-CG 4.48Å; V222-K226 VanDerWaalsContact CG1-O 3.29Å; V222-K226 WeakPolarHBondContact CG1-O 3.41Å; G223-K226 PolarHBondContact O-N 2.89Å; K226-D228 PolarHBondContact O-N 3.16Å; K226-D228 VanDerWaalsContact O-N 3.16Å | ||
| 227 | Y | 67.3 | Low | 69.4 | Low | 172 Ų | 172 | 119 Ų | 119 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | trans | -69.2 | 107.5 | 168.4 | -64 | -83.9 | 0 | 0 | 0 | 108.2 | V222 P229 | V222-Y227 WeakPolarHBondContact O-CE2 3.29Å; V222-Y227 PolarHBondContact O-OH 2.88Å; Y227-P229 WeakPolarHBondContact O-CD 3.37Å | ||
| 228 | D | 68.8 | Low | 70.7 | Confident | 85 Ų | 85 | 110.5 Ų | 110.5 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | trans | -86.8 | 101.4 | 164.3 | -174.7 | 0.6 | 0 | 0 | 0 | 107.4 | K226 Y230 N231 | K226-D228 PolarHBondContact O-N 3.16Å; K226-D228 VanDerWaalsContact O-N 3.16Å; D228-Y230 PolarHBondContact O-N 3.42Å; D228-Y230 VanDerWaalsContact O-N 3.16Å; D228-Y230 WeakPolarHBondContact OD1-CD2 3.48Å; D228-Y230 PolarHBondContact OD1-N 2.82Å; D228-N231 HydrophobicContact CB-CB 4.18Å; D228-N231 PolarHBondContact O-N 2.84Å | ||
| 229 | P | 66.6 | Low | 72.1 | Confident | 77 Ų | 77 | 112.9 Ų | 112.9 | 50% | 0.5 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -62 | -24.6 | -177.3 | 27.4 | -34.7 | 0 | 0 | 0 | 111.4 | Y227 N231 L235 | Y227-P229 WeakPolarHBondContact O-CD 3.37Å; P229-N231 VanDerWaalsContact C-N 3.3Å; P229-N231 PolarHBondContact O-N 3.22Å; P229-L235 WeakPolarHBondContact O-CD1 3.49Å |
| 230 | Y | 70.1 | Confident | 73.6 | Confident | 207 Ų | 207 | 110.9 Ų | 110.9 | 81% | 0.812 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -79 | -13.1 | -177 | -57.3 | -71.9 | 0 | 0 | 0 | 113.5 | D228 | D228-Y230 PolarHBondContact O-N 3.42Å; D228-Y230 VanDerWaalsContact O-N 3.16Å; D228-Y230 WeakPolarHBondContact OD1-CD2 3.48Å; D228-Y230 PolarHBondContact OD1-N 2.82Å |
| 231 | N | 72.6 | Confident | 75.1 | Confident | 127 Ų | 127 | 107.5 Ų | 107.5 | 68% | 0.679 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -102.3 | 5.8 | -177.6 | -132.8 | -13.3 | 0 | 0 | 0 | 113.3 | D228 P229 P233 | D228-N231 HydrophobicContact CB-CB 4.18Å; D228-N231 PolarHBondContact O-N 2.84Å; P229-N231 VanDerWaalsContact C-N 3.3Å; P229-N231 PolarHBondContact O-N 3.22Å; N231-P233 VanDerWaalsContact O-CD 3.28Å; N231-P233 WeakPolarHBondContact O-CD 3.3Å |
| 232 | D | 75.7 | Confident | 76.5 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | trans | -68.1 | 118.5 | -179 | -157.9 | -16.2 | 0 | 0 | 0 | 110 | W234 L235 K236 | D232-W234 PolarHBondContact O-N 3.08Å; D232-L235 HydrophobicContact CB-CG 4.29Å; D232-L235 PolarHBondContact O-N 3.36Å; D232-K236 PolarHBondContact O-N 3.21Å | ||
| 233 | P | 80.7 | Confident | 77.6 | Confident | 95 Ų | 95 | 112.1 Ų | 112.1 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.5 | -26.6 | 178.8 | -26.8 | 35.5 | 0 | 0 | 0 | 112.9 | N231 K236 L237 | N231-P233 VanDerWaalsContact O-CD 3.28Å; N231-P233 WeakPolarHBondContact O-CD 3.3Å; P233-K236 PolarHBondContact O-N 3.49Å; P233-L237 WeakPolarHBondContact O-CB 3.49Å; P233-L237 PolarHBondContact O-N 3.34Å |
| 234 | W | 80 | Confident | 78.5 | Confident | 180 Ų | 180 | 118.7 Ų | 118.7 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.2 | -40.6 | 177.1 | -135.5 | 96.5 | 0 | 0 | 0 | 112.3 | D232 L237 I238 | D232-W234 PolarHBondContact O-N 3.08Å; W234-L237 WeakPolarHBondContact O-CB 3.38Å; W234-L237 PolarHBondContact O-N 3.23Å; W234-I238 HydrophobicContact CE3-CD1 3.5Å; W234-I238 VanDerWaalsContact CE3-CD1 3.5Å; W234-I238 HydrophobicContact CE3-CG1 3.51Å; W234-I238 HydrophobicContact CZ3-CD1 3.48Å; W234-I238 VanDerWaalsContact CZ3-CD1 3.48Å; W234-I238 HydrophobicContact CZ3-CG1 3.44Å; W234-I238 VanDerWaalsContact CZ3-CG1 3.44Å; W234-I238 WeakPolarHBondContact O-CG1 3.37Å; W234-I238 PolarHBondContact O-N 3.32Å |
| 235 | L | 83.1 | Confident | 79.2 | Confident | 82 Ų | 82 | 115.4 Ų | 115.4 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -42.3 | 175.1 | -70.3 | -174.5 | 0 | 0 | 0 | 111.4 | P229 D232 L237 I238 E239 | P229-L235 WeakPolarHBondContact O-CD1 3.49Å; D232-L235 HydrophobicContact CB-CG 4.29Å; D232-L235 PolarHBondContact O-N 3.36Å; L235-L237 VanDerWaalsContact C-N 3.27Å; L235-L237 PolarHBondContact O-N 3.28Å; L235-I238 HydrophobicContact CD2-CD1 4.1Å; L235-I238 WeakPolarHBondContact O-CB 3.46Å; L235-I238 PolarHBondContact O-N 3.3Å; L235-I238 VanDerWaalsContact O-N 3.15Å; L235-E239 PolarHBondContact O-N 3.13Å |
| 236 | K | 84.5 | Confident | 79.9 | Confident | 158 Ų | 158 | 116.8 Ų | 116.8 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61 | -37.7 | 174.8 | -168.9 | 174.3 | -177.9 | 174.3 | 0 | 111.9 | D232 P233 E239 T240 | D232-K236 PolarHBondContact O-N 3.21Å; P233-K236 PolarHBondContact O-N 3.49Å; K236-E239 PolarHBondContact O-N 3.44Å; K236-T240 WeakPolarHBondContact O-CB 3.45Å; K236-T240 PolarHBondContact O-N 3.4Å; K236-T240 PolarHBondContact O-OG1 2.92Å |
| 237 | L | 85.5 | Confident | 80.3 | Confident | 113 Ų | 113 | 113.2 Ų | 113.2 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 173.4 | -105 | 162.4 | 0 | 0 | 0 | 112.3 | P233 W234 L235 T240 A241 | P233-L237 WeakPolarHBondContact O-CB 3.49Å; P233-L237 PolarHBondContact O-N 3.34Å; W234-L237 WeakPolarHBondContact O-CB 3.38Å; W234-L237 PolarHBondContact O-N 3.23Å; L235-L237 VanDerWaalsContact C-N 3.27Å; L235-L237 PolarHBondContact O-N 3.28Å; L237-T240 PolarHBondContact O-N 3.43Å; L237-A241 VanDerWaalsContact O-CB 3.29Å; L237-A241 WeakPolarHBondContact O-CB 3.22Å; L237-A241 PolarHBondContact O-N 3.46Å |
| 238 | I | 85.5 | Confident | 80.7 | Confident | 49 Ų | 49 | 109.9 Ų | 109.9 | 25% | 0.251 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 174.3 | -63 | 170.3 | 0 | 0 | 0 | 110.3 | W234 L235 T240 A241 R242 | W234-I238 HydrophobicContact CE3-CD1 3.5Å; W234-I238 VanDerWaalsContact CE3-CD1 3.5Å; W234-I238 HydrophobicContact CE3-CG1 3.51Å; W234-I238 HydrophobicContact CZ3-CD1 3.48Å; W234-I238 VanDerWaalsContact CZ3-CD1 3.48Å; W234-I238 HydrophobicContact CZ3-CG1 3.44Å; W234-I238 VanDerWaalsContact CZ3-CG1 3.44Å; W234-I238 WeakPolarHBondContact O-CG1 3.37Å; W234-I238 PolarHBondContact O-N 3.32Å; L235-I238 HydrophobicContact CD2-CD1 4.1Å; L235-I238 WeakPolarHBondContact O-CB 3.46Å; L235-I238 PolarHBondContact O-N 3.3Å; L235-I238 VanDerWaalsContact O-N 3.15Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 3.45Å; I238-A241 PolarHBondContact O-N 3.11Å; I238-R242 HydrophobicContact CG2-CG 4.36Å; I238-R242 WeakPolarHBondContact O-CG 3.37Å; I238-R242 PolarHBondContact O-N 3.47Å |
| 239 | E | 85.8 | Confident | 81 | Confident | 124 Ų | 124 | 109.4 Ų | 109.4 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.3 | -49.2 | 179.1 | -157.4 | 84.4 | -126.9 | 0 | 0 | 110.4 | L235 K236 A241 R242 E243 | L235-E239 PolarHBondContact O-N 3.13Å; K236-E239 PolarHBondContact O-N 3.44Å; E239-A241 VanDerWaalsContact C-N 3.32Å; E239-A241 PolarHBondContact O-N 3.2Å; E239-R242 WeakPolarHBondContact O-CB 3.22Å; E239-R242 PolarHBondContact O-N 3.35Å; E239-E243 WeakPolarHBondContact O-CB 3.5Å; E239-E243 PolarHBondContact O-N 3.4Å |
| 240 | T | 89.3 | Confident | 81.5 | Confident | 47 Ų | 47 | 112.8 Ų | 112.8 | 29% | 0.288 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63 | -37.9 | 178.2 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | K236 L237 I238 E243 R244 | K236-T240 WeakPolarHBondContact O-CB 3.45Å; K236-T240 PolarHBondContact O-N 3.4Å; K236-T240 PolarHBondContact O-OG1 2.92Å; L237-T240 PolarHBondContact O-N 3.43Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 3.45Å; T240-E243 PolarHBondContact O-N 3.22Å; T240-R244 WeakPolarHBondContact O-CB 3.47Å; T240-R244 WeakPolarHBondContact O-CG 3.32Å; T240-R244 PolarHBondContact O-N 3.32Å |
| 241 | A | 87.6 | Confident | 81.6 | Confident | 56 Ų | 56 | 109.3 Ų | 109.3 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L237 I238 E239 S245 | L237-A241 VanDerWaalsContact O-CB 3.29Å; L237-A241 WeakPolarHBondContact O-CB 3.22Å; L237-A241 PolarHBondContact O-N 3.46Å; I238-A241 PolarHBondContact O-N 3.11Å; E239-A241 VanDerWaalsContact C-N 3.32Å; E239-A241 PolarHBondContact O-N 3.2Å; A241-S245 WeakPolarHBondContact O-CB 3.11Å; A241-S245 PolarHBondContact O-N 2.86Å |
| 242 | R | 87.7 | Confident | 81.5 | Confident | 155 Ų | 155 | 107.7 Ų | 107.7 | 59% | 0.585 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 172.4 | -73 | 175 | 179.4 | 174.1 | 0.8 | 111.1 | I238 E239 S245 N246 | I238-R242 HydrophobicContact CG2-CG 4.36Å; I238-R242 WeakPolarHBondContact O-CG 3.37Å; I238-R242 PolarHBondContact O-N 3.47Å; E239-R242 WeakPolarHBondContact O-CB 3.22Å; E239-R242 PolarHBondContact O-N 3.35Å; R242-S245 PolarHBondContact O-N 2.91Å; R242-N246 WeakPolarHBondContact O-CB 3.05Å; R242-N246 PolarHBondContact O-N 3.14Å; R242-N246 PolarHBondContact O-ND2 3.15Å; R242-N246 PolarHBondContact O-OD1 3.47Å |
| 243 | E | 86.6 | Confident | 80.9 | Confident | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61 | -47 | 176.4 | -170.1 | 177.9 | -166.9 | 0 | 0 | 111.5 | E239 T240 S245 N246 I247 | E239-E243 WeakPolarHBondContact O-CB 3.5Å; E239-E243 PolarHBondContact O-N 3.4Å; T240-E243 PolarHBondContact O-N 3.22Å; E243-S245 VanDerWaalsContact C-N 3.35Å; E243-S245 PolarHBondContact O-N 2.79Å; E243-N246 WeakPolarHBondContact O-CB 3.32Å; E243-N246 PolarHBondContact O-N 3.43Å; E243-N246 VanDerWaalsContact O-N 3.16Å; E243-I247 HydrophobicContact CG-CD1 4.21Å; E243-I247 WeakPolarHBondContact O-CG1 3.34Å; E243-I247 PolarHBondContact O-N 2.95Å |
| 244 | R | 83 | Confident | 80.6 | Confident | 175 Ų | 175 | 109.6 Ų | 109.6 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.1 | -42.9 | 173 | -76.3 | 179.4 | 179 | 165.4 | 1.2 | 112.6 | T240 N246 I247 E248 | T240-R244 WeakPolarHBondContact O-CB 3.47Å; T240-R244 WeakPolarHBondContact O-CG 3.32Å; T240-R244 PolarHBondContact O-N 3.32Å; R244-N246 VanDerWaalsContact C-N 3.27Å; R244-N246 PolarHBondContact O-N 3.36Å; R244-I247 PolarHBondContact O-N 2.69Å; R244-E248 WeakPolarHBondContact O-CB 3.48Å; R244-E248 PolarHBondContact O-N 3.2Å |
| 245 | S | 82.4 | Confident | 80.3 | Confident | 70 Ų | 70 | 106.5 Ų | 106.5 | 49% | 0.49 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.2 | -33.7 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 112 | A241 R242 E243 A249 | A241-S245 WeakPolarHBondContact O-CB 3.11Å; A241-S245 PolarHBondContact O-N 2.86Å; R242-S245 PolarHBondContact O-N 2.91Å; E243-S245 VanDerWaalsContact C-N 3.35Å; E243-S245 PolarHBondContact O-N 2.79Å; S245-A249 VanDerWaalsContact O-CB 3.3Å; S245-A249 WeakPolarHBondContact O-CB 3.27Å; S245-A249 PolarHBondContact O-N 3.42Å |
| 246 | N | 84.9 | Confident | 80 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.7 | -43.1 | 175.3 | -68.6 | -15.8 | 0 | 0 | 0 | 110.7 | R242 E243 R244 E248 A249 E250 | R242-N246 WeakPolarHBondContact O-CB 3.05Å; R242-N246 PolarHBondContact O-N 3.14Å; R242-N246 PolarHBondContact O-ND2 3.15Å; R242-N246 PolarHBondContact O-OD1 3.47Å; E243-N246 WeakPolarHBondContact O-CB 3.32Å; E243-N246 PolarHBondContact O-N 3.43Å; E243-N246 VanDerWaalsContact O-N 3.16Å; R244-N246 VanDerWaalsContact C-N 3.27Å; R244-N246 PolarHBondContact O-N 3.36Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.04Å; N246-A249 WeakPolarHBondContact O-CB 3.39Å; N246-A249 PolarHBondContact O-N 3.46Å; N246-A249 VanDerWaalsContact O-N 3.14Å; N246-E250 WeakPolarHBondContact O-CG 3.4Å; N246-E250 PolarHBondContact O-N 2.8Å |
| 247 | I | 79.3 | Confident | 79.9 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -41.9 | 174.2 | -66.1 | 164.2 | 0 | 0 | 0 | 110.8 | E243 R244 A249 E250 H251 | E243-I247 HydrophobicContact CG-CD1 4.21Å; E243-I247 WeakPolarHBondContact O-CG1 3.34Å; E243-I247 PolarHBondContact O-N 2.95Å; R244-I247 PolarHBondContact O-N 2.69Å; I247-A249 VanDerWaalsContact C-N 3.31Å; I247-E250 PolarHBondContact O-N 3.36Å; I247-H251 WeakPolarHBondContact O-CB 3.47Å; I247-H251 PolarHBondContact O-N 2.91Å |
| 248 | E | 74.2 | Confident | 79.8 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 48% | 0.477 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.5 | -25.2 | 175.8 | -170.7 | 164.7 | -159 | 0 | 0 | 112.1 | R244 N246 H251 P252 | R244-E248 WeakPolarHBondContact O-CB 3.48Å; R244-E248 PolarHBondContact O-N 3.2Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.04Å; E248-H251 CarbonylContact O-C 3.2Å; E248-P252 WeakPolarHBondContact O-CA 3.44Å |
| 249 | A | 75.4 | Confident | 79.5 | Confident | 75 Ų | 75 | 112.3 Ų | 112.3 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.3 | -37.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S245 N246 I247 | S245-A249 VanDerWaalsContact O-CB 3.3Å; S245-A249 WeakPolarHBondContact O-CB 3.27Å; S245-A249 PolarHBondContact O-N 3.42Å; N246-A249 WeakPolarHBondContact O-CB 3.39Å; N246-A249 PolarHBondContact O-N 3.46Å; N246-A249 VanDerWaalsContact O-N 3.14Å; I247-A249 VanDerWaalsContact C-N 3.31Å |
| 250 | E | 78 | Confident | 79.5 | Confident | 148 Ų | 148 | 108.8 Ų | 108.8 | 69% | 0.692 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71 | -38.3 | 173.8 | -70.6 | -67 | 153 | 0 | 0 | 112 | N246 I247 P252 | N246-E250 WeakPolarHBondContact O-CG 3.4Å; N246-E250 PolarHBondContact O-N 2.8Å; I247-E250 PolarHBondContact O-N 3.36Å; E250-P252 WeakPolarHBondContact O-CD 3.14Å |
| 251 | H | 71.9 | Confident | 79.3 | Confident | 134 Ų | 134 | 111.5 Ų | 111.5 | 62% | 0.62 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -126.6 | 71.5 | -179.4 | -56 | -44.3 | 0 | 0 | 0 | 109.2 | I247 E248 L253 | I247-H251 WeakPolarHBondContact O-CB 3.47Å; I247-H251 PolarHBondContact O-N 2.91Å; E248-H251 CarbonylContact O-C 3.2Å; H251-L253 PolarHBondContact O-N 3Å |
| 252 | P | 70.2 | Confident | 79.1 | Confident | 93 Ų | 93 | 111.4 Ų | 111.4 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | trans | -55.6 | 112.6 | 177.1 | 23 | -32.3 | 0 | 0 | 0 | 107.1 | E248 E250 A254 | E248-P252 WeakPolarHBondContact O-CA 3.44Å; E250-P252 WeakPolarHBondContact O-CD 3.14Å; P252-A254 VanDerWaalsContact C-N 3.3Å; P252-A254 PolarHBondContact O-N 3.37Å | ||
| 253 | L | 63.7 | Low | 78.9 | Confident | 125 Ų | 125 | 107.6 Ų | 107.6 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | trans | -54.2 | 108.2 | 168.6 | -69.4 | 176.7 | 0 | 0 | 0 | 104.3 | H251 V255 | H251-L253 PolarHBondContact O-N 3Å; L253-V255 HydrophobicContact CB-CG2 3.96Å; L253-V255 PolarHBondContact O-N 3.27Å | ||
| 254 | A | 73.4 | Confident | 78.7 | Confident | 98 Ų | 98 | 109.3 Ų | 109.3 | 81% | 0.81 | 56% | 0.564 | S | S | * | * | trans | -72.1 | 69 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | P252 P256 | P252-A254 VanDerWaalsContact C-N 3.3Å; P252-A254 PolarHBondContact O-N 3.37Å; A254-P256 WeakPolarHBondContact O-CD 3.46Å | ||
| 255 | V | 74.6 | Confident | 78.7 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 70% | 0.697 | 55% | 0.554 | S | S | * | * | trans | -74.6 | 105.6 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 105.3 | L253 | L253-V255 HydrophobicContact CB-CG2 3.96Å; L253-V255 PolarHBondContact O-N 3.27Å | ||
| 256 | P | 77.4 | Confident | 78.5 | Confident | 54 Ų | 54 | 106.6 Ų | 106.6 | 35% | 0.351 | 55% | 0.554 | S | S | . | * | trans | -61 | 145.5 | -179.5 | 24.6 | -31.5 | 0 | 0 | 0 | 109.5 | A254 D260 K261 Y264 | A254-P256 WeakPolarHBondContact O-CD 3.46Å; P256-D260 HydrophobicContact CB-CB 3.73Å; P256-K261 HydrophobicContact CG-CB 4.39Å; P256-Y264 HydrophobicContact CB-CD2 4.31Å; P256-Y264 HydrophobicContact CB-CE2 4.31Å | ||
| 257 | R | 80.7 | Confident | 78 | Confident | 179 Ų | 179 | 108.7 Ų | 108.7 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | trans | -59.7 | 159 | 170.3 | -61.2 | 174.7 | -66.7 | 174.9 | 1.7 | 108.7 | M259 D260 K261 | R257-M259 PolarHBondContact O-N 3.49Å; R257-M259 VanDerWaalsContact O-N 3.11Å; R257-D260 WeakPolarHBondContact CB-OD2 3.44Å; R257-D260 IonicContact CZ-OD2 2.74Å; R257-D260 PolarHBondContact N-OD2 3.41Å; R257-D260 IonicContact NE-OD1 3.79Å; R257-D260 IonicContact NE-OD2 3.3Å; R257-D260 PolarHBondContact NE-OD2 2.93Å; R257-D260 IonicContact NH2-OD1 3.79Å; R257-D260 PolarHBondContact NH2-OD1 2.87Å; R257-D260 IonicContact NH2-OD2 3.93Å; R257-D260 PolarHBondContact NH2-OD2 3.11Å; R257-D260 WeakPolarHBondContact O-CA 3.39Å; R257-D260 WeakPolarHBondContact O-CB 3.47Å; R257-D260 PolarHBondContact O-N 3.29Å; R257-K261 PolarHBondContact O-N 2.74Å | ||
| 258 | F | 83.1 | Confident | 77.9 | Confident | 153 Ų | 153 | 112.2 Ų | 112.2 | 67% | 0.671 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -51 | -41 | 179.8 | 179.3 | -100.8 | 0 | 0 | 0 | 113.2 | K261 V262 | F258-K261 WeakPolarHBondContact O-CB 2.99Å; F258-K261 PolarHBondContact O-N 2.92Å; F258-V262 HydrophobicContact CE1-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 4.19Å; F258-V262 WeakPolarHBondContact O-CG2 3.35Å; F258-V262 PolarHBondContact O-N 2.87Å; F258-V262 VanDerWaalsContact O-N 3.08Å |
| 259 | M | 80.9 | Confident | 77.7 | Confident | 137 Ų | 137 | 113.5 Ų | 113.5 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 175.8 | -62.2 | -58.4 | -177.5 | 0 | 0 | 112.6 | R257 K261 V262 V263 | R257-M259 PolarHBondContact O-N 3.49Å; R257-M259 VanDerWaalsContact O-N 3.11Å; M259-K261 VanDerWaalsContact C-N 3.27Å; M259-K261 PolarHBondContact O-N 3.43Å; M259-V262 PolarHBondContact O-N 3.48Å; M259-V263 WeakPolarHBondContact O-CG2 3.43Å; M259-V263 PolarHBondContact O-N 2.88Å |
| 260 | D | 84.9 | Confident | 77.3 | Confident | 51 Ų | 51 | 117.3 Ų | 117.3 | 27% | 0.273 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.4 | -37 | 178.4 | -54.4 | -32.6 | 0 | 0 | 0 | 109.9 | P256 R257 V263 Y264 | P256-D260 HydrophobicContact CB-CB 3.73Å; R257-D260 WeakPolarHBondContact CB-OD2 3.44Å; R257-D260 IonicContact CZ-OD2 2.74Å; R257-D260 PolarHBondContact N-OD2 3.41Å; R257-D260 IonicContact NE-OD1 3.79Å; R257-D260 IonicContact NE-OD2 3.3Å; R257-D260 PolarHBondContact NE-OD2 2.93Å; R257-D260 IonicContact NH2-OD1 3.79Å; R257-D260 PolarHBondContact NH2-OD1 2.87Å; R257-D260 IonicContact NH2-OD2 3.93Å; R257-D260 PolarHBondContact NH2-OD2 3.11Å; R257-D260 WeakPolarHBondContact O-CA 3.39Å; R257-D260 WeakPolarHBondContact O-CB 3.47Å; R257-D260 PolarHBondContact O-N 3.29Å; D260-V263 PolarHBondContact O-N 3.19Å; D260-Y264 WeakPolarHBondContact O-CD2 3.07Å; D260-Y264 PolarHBondContact O-N 2.83Å |
| 261 | K | 85.9 | Confident | 76.8 | Confident | 104 Ų | 104 | 117.1 Ų | 117.1 | 45% | 0.452 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.7 | -44.5 | 172.8 | -170.1 | -169.8 | 179.6 | -145.4 | 0 | 112 | P256 R257 F258 M259 V263 Y264 E265 | P256-K261 HydrophobicContact CG-CB 4.39Å; R257-K261 PolarHBondContact O-N 2.74Å; F258-K261 WeakPolarHBondContact O-CB 2.99Å; F258-K261 PolarHBondContact O-N 2.92Å; M259-K261 VanDerWaalsContact C-N 3.27Å; M259-K261 PolarHBondContact O-N 3.43Å; K261-V263 VanDerWaalsContact C-N 3.33Å; K261-V263 PolarHBondContact O-N 3.04Å; K261-Y264 PolarHBondContact O-N 3.48Å; K261-E265 WeakPolarHBondContact CE-OE1 3.13Å; K261-E265 IonicContact NZ-OE1 3.37Å; K261-E265 PolarHBondContact NZ-OE1 3.12Å; K261-E265 WeakPolarHBondContact O-CG 3.42Å; K261-E265 PolarHBondContact O-N 2.96Å |
| 262 | V | 82.8 | Confident | 76.6 | Confident | 53 Ų | 53 | 113.8 Ų | 113.8 | 32% | 0.321 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.9 | -41.6 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 111 | F258 M259 E265 L266 | F258-V262 HydrophobicContact CE1-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 4.19Å; F258-V262 WeakPolarHBondContact O-CG2 3.35Å; F258-V262 PolarHBondContact O-N 2.87Å; F258-V262 VanDerWaalsContact O-N 3.08Å; M259-V262 PolarHBondContact O-N 3.48Å; V262-E265 PolarHBondContact O-N 3.04Å; V262-L266 HydrophobicContact CG1-CD1 4.21Å; V262-L266 HydrophobicContact CG1-CG 4.44Å; V262-L266 WeakPolarHBondContact O-CB 3.48Å; V262-L266 WeakPolarHBondContact O-CG 3.3Å; V262-L266 PolarHBondContact O-N 2.8Å |
| 263 | V | 84.6 | Confident | 76.3 | Confident | 76 Ų | 76 | 112.3 Ų | 112.3 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.6 | -42.8 | 175.8 | 175.9 | 0 | 0 | 0 | 0 | 111 | M259 D260 K261 E265 L266 H267 | M259-V263 WeakPolarHBondContact O-CG2 3.43Å; M259-V263 PolarHBondContact O-N 2.88Å; D260-V263 PolarHBondContact O-N 3.19Å; K261-V263 VanDerWaalsContact C-N 3.33Å; K261-V263 PolarHBondContact O-N 3.04Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.64Å; V263-L266 PolarHBondContact O-N 2.91Å; V263-H267 PolarHBondContact O-CD2 3.28Å; V263-H267 VanDerWaalsContact O-CD2 3.25Å; V263-H267 PolarHBondContact O-N 3.24Å |
| 264 | Y | 80.7 | Confident | 76.4 | Confident | 153 Ų | 153 | 112.1 Ų | 112.1 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.8 | -40.9 | 173.7 | -84 | -65.4 | 0 | 0 | 0 | 112.6 | P256 D260 K261 H267 K268 | P256-Y264 HydrophobicContact CB-CD2 4.31Å; P256-Y264 HydrophobicContact CB-CE2 4.31Å; D260-Y264 WeakPolarHBondContact O-CD2 3.07Å; D260-Y264 PolarHBondContact O-N 2.83Å; K261-Y264 PolarHBondContact O-N 3.48Å; Y264-H267 PolarHBondContact O-N 3.27Å; Y264-K268 WeakPolarHBondContact O-CG 3.46Å; Y264-K268 PolarHBondContact O-N 3.25Å |
| 265 | E | 83.9 | Confident | 76 | Confident | 93 Ų | 93 | 113.3 Ų | 113.3 | 44% | 0.435 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -41.3 | 174.9 | -74.2 | 173.9 | -171.6 | 0 | 0 | 111.5 | K261 V262 V263 H267 K268 Q269 | K261-E265 WeakPolarHBondContact CE-OE1 3.13Å; K261-E265 IonicContact NZ-OE1 3.37Å; K261-E265 PolarHBondContact NZ-OE1 3.12Å; K261-E265 WeakPolarHBondContact O-CG 3.42Å; K261-E265 PolarHBondContact O-N 2.96Å; V262-E265 PolarHBondContact O-N 3.04Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.64Å; E265-H267 VanDerWaalsContact C-N 3.34Å; E265-H267 PolarHBondContact O-N 3.09Å; E265-K268 WeakPolarHBondContact O-CB 3.48Å; E265-K268 PolarHBondContact O-N 3.2Å; E265-K268 VanDerWaalsContact O-N 3.12Å; E265-Q269 WeakPolarHBondContact O-CG 3.37Å; E265-Q269 PolarHBondContact O-N 3.37Å |
| 266 | L | 78.7 | Confident | 75.7 | Confident | 96 Ų | 96 | 111.3 Ų | 111.3 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.4 | -38.4 | 173.4 | -76.5 | 173 | 0 | 0 | 0 | 112.4 | V262 V263 K268 F271 | V262-L266 HydrophobicContact CG1-CD1 4.21Å; V262-L266 HydrophobicContact CG1-CG 4.44Å; V262-L266 WeakPolarHBondContact O-CB 3.48Å; V262-L266 WeakPolarHBondContact O-CG 3.3Å; V262-L266 PolarHBondContact O-N 2.8Å; V263-L266 PolarHBondContact O-N 2.91Å; L266-K268 VanDerWaalsContact C-N 3.31Å; L266-F271 HydrophobicContact CD2-CE2 4.14Å |
| 267 | H | 74.6 | Confident | 75.1 | Confident | 149 Ų | 149 | 115.2 Ų | 115.2 | 69% | 0.69 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.1 | -30 | 173.4 | -85.5 | -128.6 | 0 | 0 | 0 | 112.5 | V263 Y264 E265 | V263-H267 PolarHBondContact O-CD2 3.28Å; V263-H267 VanDerWaalsContact O-CD2 3.25Å; V263-H267 PolarHBondContact O-N 3.24Å; Y264-H267 PolarHBondContact O-N 3.27Å; E265-H267 VanDerWaalsContact C-N 3.34Å; E265-H267 PolarHBondContact O-N 3.09Å |
| 268 | K | 75.9 | Confident | 74.4 | Confident | 168 Ų | 168 | 113.2 Ų | 113.2 | 73% | 0.73 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.4 | -35 | 176 | -78.5 | -177.3 | 179 | -173.1 | 0 | 113 | Y264 E265 L266 N270 | Y264-K268 WeakPolarHBondContact O-CG 3.46Å; Y264-K268 PolarHBondContact O-N 3.25Å; E265-K268 WeakPolarHBondContact O-CB 3.48Å; E265-K268 PolarHBondContact O-N 3.2Å; E265-K268 VanDerWaalsContact O-N 3.12Å; L266-K268 VanDerWaalsContact C-N 3.31Å; K268-N270 PolarHBondContact O-N 3.47Å |
| 269 | Q | 69.4 | Low | 73.5 | Confident | 130 Ų | 130 | 111.6 Ų | 111.6 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -68.8 | 103.4 | 168.6 | -63.5 | -62.9 | -13.7 | 0 | 0 | 106 | E265 F271 | E265-Q269 WeakPolarHBondContact O-CG 3.37Å; E265-Q269 PolarHBondContact O-N 3.37Å; Q269-F271 HydrophobicContact CB-CD2 3.85Å; Q269-F271 HydrophobicContact CB-CE2 3.58Å; Q269-F271 HydrophobicContact CG-CE2 4.48Å; Q269-F271 VanDerWaalsContact O-CD2 3.27Å; Q269-F271 WeakPolarHBondContact O-CD2 3.46Å; Q269-F271 PolarHBondContact O-N 2.98Å |
| 270 | N | 67.3 | Low | 72.3 | Confident | 154 Ų | 154 | 112.9 Ų | 112.9 | 82% | 0.824 | 58% | 0.578 | S | S | * | * | trans | -62.5 | 69.8 | -177.7 | -70.3 | -44.4 | 0 | 0 | 0 | 111.4 | K268 P272 | K268-N270 PolarHBondContact O-N 3.47Å; N270-P272 WeakPolarHBondContact O-CD 3.48Å | ||
| 271 | F | 68.3 | Low | 71 | Confident | 144 Ų | 144 | 116.9 Ų | 116.9 | 63% | 0.632 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.3 | 172.1 | -78.5 | -77.6 | 0 | 0 | 0 | 107 | L266 Q269 S273 | L266-F271 HydrophobicContact CD2-CE2 4.14Å; Q269-F271 HydrophobicContact CB-CD2 3.85Å; Q269-F271 HydrophobicContact CB-CE2 3.58Å; Q269-F271 HydrophobicContact CG-CE2 4.48Å; Q269-F271 VanDerWaalsContact O-CD2 3.27Å; Q269-F271 WeakPolarHBondContact O-CD2 3.46Å; Q269-F271 PolarHBondContact O-N 2.98Å; F271-S273 PolarHBondContact O-N 2.95Å |
| 272 | P | 68 | Low | 69.1 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 133.9 | 178.6 | 20.4 | -29.4 | 0 | 0 | 0 | 108.7 | N270 Y277 | N270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-Y277 HydrophobicContact CG-CE1 4.09Å |
| 273 | S | 63.3 | Low | 67.3 | Low | 62 Ų | 62 | 127.5 Ų | 127.5 | 43% | 0.434 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 151.9 | 175.8 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | F271 C275 S276 | F271-S273 PolarHBondContact O-N 2.95Å; S273-C275 PolarHBondContact O-N 3.47Å; S273-S276 WeakPolarHBondContact O-CB 3.36Å; S273-S276 PolarHBondContact O-N 3.09Å; S273-S276 PolarHBondContact OG-OG 2.87Å |
| 274 | P | 65.7 | Low | 65.5 | Low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -17 | -179.1 | 16.9 | -28.8 | 0 | 0 | 0 | 114.4 | ||
| 275 | C | 66.1 | Low | 63.8 | Low | 122 Ų | 122 | 128.7 Ų | 128.7 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -11.3 | 175 | -165.1 | 0 | 0 | 0 | 0 | 114.2 | S273 | S273-C275 PolarHBondContact O-N 3.47Š|
| 276 | S | 68.1 | Low | 62 | Low | 73 Ų | 73 | 134 Ų | 134 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | trans | -87.3 | -7.7 | 179.8 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | S273 N278 | S273-S276 WeakPolarHBondContact O-CB 3.36Å; S273-S276 PolarHBondContact O-N 3.09Å; S273-S276 PolarHBondContact OG-OG 2.87Å; S276-N278 PolarHBondContact O-N 3.49Å | ||
| 277 | Y | 63.3 | Low | 60.3 | Low | 136 Ų | 136 | 133.6 Ų | 133.6 | 53% | 0.533 | 70% | 0.696 | S | S | . | * | trans | -70.9 | 102.2 | 170 | -61.1 | -75.1 | 0 | 0 | 0 | 108.4 | P272 I279 | P272-Y277 HydrophobicContact CG-CE1 4.09Å; Y277-I279 PolarHBondContact O-N 3.47Å | ||
| 278 | N | 66.2 | Low | 58.9 | Low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | trans | -71.6 | 81.3 | 164.9 | -172.6 | -2.7 | 0 | 0 | 0 | 107.8 | S276 Q280 | S276-N278 PolarHBondContact O-N 3.49Å; N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 3.39Å | ||
| 279 | I | 64.1 | Low | 57.6 | Low | 119 Ų | 119 | 130.1 Ų | 130.1 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | trans | -70.7 | 102.3 | 167.9 | -48.3 | 174.4 | 0 | 0 | 0 | 104.3 | Y277 D281 | Y277-I279 PolarHBondContact O-N 3.47Å; I279-D281 WeakPolarHBondContact CG2-OD1 3.46Å; I279-D281 PolarHBondContact O-N 3.3Å | ||
| 280 | Q | 56.2 | Low | 56.7 | Low | 164 Ų | 164 | 130.3 Ų | 130.3 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -66.8 | 76.9 | 167.6 | -66.6 | -178.7 | -9.9 | 0 | 0 | 107.2 | N278 K282 | N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 3.39Å; Q280-K282 VanDerWaalsContact C-N 3.27Å; Q280-K282 PolarHBondContact O-N 3.47Å | ||
| 281 | D | 57 | Low | 56.1 | Low | 135 Ų | 135 | 131.5 Ų | 131.5 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | -62.6 | 100.4 | 169.2 | -78.3 | -24.3 | 0 | 0 | 0 | 105.8 | I279 Q283 | I279-D281 WeakPolarHBondContact CG2-OD1 3.46Å; I279-D281 PolarHBondContact O-N 3.3Å; D281-Q283 PolarHBondContact O-N 3.43Å | ||
| 282 | K | 46.4 | Very low | 55.6 | Low | 194 Ų | 194 | 129 Ų | 129 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | trans | -44.5 | 117.6 | 179.6 | -73.6 | 177.5 | 176.8 | -179.6 | 0 | 107.7 | Q280 I284 | Q280-K282 VanDerWaalsContact C-N 3.27Å; Q280-K282 PolarHBondContact O-N 3.47Å; K282-I284 PolarHBondContact O-N 3.41Å | ||
| 283 | Q | 46.4 | Very low | 55.4 | Low | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | trans | -11.6 | 94.4 | 164.2 | -66.6 | 175.3 | -27.4 | 0 | 0 | 111 | D281 S285 | D281-Q283 PolarHBondContact O-N 3.43Å; Q283-S285 PolarHBondContact O-N 3.41Å | ||
| 284 | I | 46.3 | Very low | 55.1 | Low | 164 Ų | 164 | 137.2 Ų | 137.2 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | -67.8 | 90.3 | 162.1 | -59.9 | 170.6 | 0 | 0 | 0 | 103.1 | K282 K286 | K282-I284 PolarHBondContact O-N 3.41Å; I284-K286 PolarHBondContact O-N 3.25Å | ||
| 285 | S | 44.7 | Very low | 54.7 | Low | 90 Ų | 90 | 139.5 Ų | 139.5 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | -41.2 | 127.4 | 171.8 | 49.5 | 0 | 0 | 0 | 0 | 107.5 | Q283 A287 | Q283-S285 PolarHBondContact O-N 3.41Å; S285-A287 PolarHBondContact O-N 3.27Å | ||
| 286 | K | 46.6 | Very low | 54.6 | Low | 206 Ų | 206 | 137.8 Ų | 137.8 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | trans | -50 | 84.4 | 176.9 | -63.2 | 172.6 | 179.6 | 177.9 | 0 | 109.5 | I284 N288 | I284-K286 PolarHBondContact O-N 3.25Å; K286-N288 PolarHBondContact O-N 2.82Å | ||
| 287 | A | 42.9 | Very low | 54.4 | Low | 87 Ų | 87 | 143.8 Ų | 143.8 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | trans | -78.6 | 88 | 174.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | S285 A289 | S285-A287 PolarHBondContact O-N 3.27Å; A287-A289 PolarHBondContact O-N 3.49Å | ||
| 288 | N | 44.3 | Very low | 54.6 | Low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | 25.7 | 97.2 | 148.6 | -59.8 | -29.4 | 0 | 0 | 0 | 115.2 | K286 V290 | K286-N288 PolarHBondContact O-N 2.82Å; N288-V290 PolarHBondContact O-N 3.15Å | ||
| 289 | A | 49.8 | Very low | 54.6 | Low | 101 Ų | 101 | 145.9 Ų | 145.9 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 25.6 | 71.7 | 136.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A287 Q291 | A287-A289 PolarHBondContact O-N 3.49Å; A289-Q291 VanDerWaalsContact C-N 3.27Å; A289-Q291 PolarHBondContact O-N 3.13Å | ||
| 290 | V | 49.5 | Very low | 55 | Low | 133 Ų | 133 | 150.8 Ų | 150.8 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -64.8 | 101.1 | 160.7 | 177.6 | 0 | 0 | 0 | 0 | 105.2 | N288 V292 | N288-V290 PolarHBondContact O-N 3.15Å; V290-V292 PolarHBondContact O-N 3.37Å | ||
| 291 | Q | 54.8 | Low | 55.7 | Low | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -50 | 105.2 | 173 | -174.8 | 175.8 | 7.2 | 0 | 0 | 108 | A289 | A289-Q291 VanDerWaalsContact C-N 3.27Å; A289-Q291 PolarHBondContact O-N 3.13Å | ||
| 292 | V | 58.3 | Low | 56.1 | Low | 91 Ų | 91 | 151.7 Ų | 151.7 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | trans | -64.3 | 127.3 | 173.5 | -82 | 0 | 0 | 0 | 0 | 107.5 | V290 F294 | V290-V292 PolarHBondContact O-N 3.37Å; V292-F294 PolarHBondContact O-N 3.42Å | ||
| 293 | P | 63 | Low | 57.1 | Low | 129 Ų | 129 | 150.6 Ų | 150.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -72.7 | 7.8 | -164 | 26.5 | -35 | 0 | 0 | 0 | 115.1 | ||
| 294 | F | 56.8 | Low | 58 | Low | 170 Ų | 170 | 150.7 Ų | 150.7 | 75% | 0.746 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -142.5 | 121.9 | -180 | -134.9 | -100.4 | 0 | 0 | 0 | 107.7 | V292 T296 | V292-F294 PolarHBondContact O-N 3.42Å; F294-T296 PolarHBondContact O-N 3.25Å; F294-T296 PolarHBondContact O-OG1 3.28Å |
| 295 | N | 58 | Low | 58.7 | Low | 170 Ų | 170 | 148.3 Ų | 148.3 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -49.8 | 63.8 | -174.8 | -67.2 | -15.3 | 0 | 0 | 0 | 114.8 | ||
| 296 | T | 63.2 | Low | 59.6 | Low | 86 Ų | 86 | 150.1 Ų | 150.1 | 53% | 0.528 | 76% | 0.763 | S | S | . | * | trans | -123 | 96.5 | 175.6 | 45.3 | 0 | 0 | 0 | 0 | 105.4 | F294 E298 | F294-T296 PolarHBondContact O-N 3.25Å; F294-T296 PolarHBondContact O-OG1 3.28Å; T296-E298 PolarHBondContact O-N 2.78Å | ||
| 297 | E | 64.8 | Low | 60.4 | Low | 199 Ų | 199 | 147.4 Ų | 147.4 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | -77.8 | -6.1 | 177.2 | -64.1 | -174.8 | 169.7 | 0 | 0 | 112.1 | Q299 | E297-Q299 PolarHBondContact O-N 3.43Š| ||
| 298 | E | 68.1 | Low | 61.4 | Low | 156 Ų | 156 | 147.8 Ų | 147.8 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -75.5 | 125.1 | 177.4 | -72.6 | -165.1 | 150.4 | 0 | 0 | 111.2 | T296 R300 | T296-E298 PolarHBondContact O-N 2.78Å; E298-R300 PolarHBondContact O-N 3.19Å |
| 299 | Q | 66.2 | Low | 62.4 | Low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -52.1 | 114.2 | 167.3 | -81 | 179.5 | -22.3 | 0 | 0 | 109 | E297 F301 | E297-Q299 PolarHBondContact O-N 3.43Å; Q299-F301 CarbonylContact O-C 3.56Å; Q299-F301 PolarHBondContact O-N 2.97Å | ||
| 300 | R | 71.9 | Confident | 63.5 | Low | 223 Ų | 223 | 140.9 Ų | 140.9 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -47.9 | -29.2 | 176.1 | -172.6 | 178.1 | -149 | -123.4 | 2.5 | 112.9 | E298 | E298-R300 PolarHBondContact O-N 3.19Š|
| 301 | F | 70 | Confident | 64.3 | Low | 151 Ų | 151 | 140.2 Ų | 140.2 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -121.6 | 107.8 | 175.6 | -54.4 | -70.7 | 0 | 0 | 0 | 107.9 | Q299 E303 | Q299-F301 CarbonylContact O-C 3.56Å; Q299-F301 PolarHBondContact O-N 2.97Å; F301-E303 PolarHBondContact O-N 2.89Å |
| 302 | K | 65.4 | Low | 64.8 | Low | 167 Ų | 167 | 139 Ų | 139 | 73% | 0.726 | 71% | 0.712 | S | S | * | * | trans | -61.1 | 132.6 | 158.4 | -61.7 | -167.7 | 179.2 | -174.5 | 0 | 106.3 | K304 | K302-K304 PolarHBondContact O-N 3.32Š| ||
| 303 | E | 68.6 | Low | 65.3 | Low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | trans | -47.8 | 113.1 | 167.8 | -175.7 | 175.8 | -179.1 | 0 | 0 | 106.7 | F301 V305 | F301-E303 PolarHBondContact O-N 2.89Å; E303-V305 PolarHBondContact O-N 3.07Å | ||
| 304 | K | 65.3 | Low | 65.1 | Low | 187 Ų | 187 | 138.8 Ų | 138.8 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | -65.4 | 96.5 | 171.9 | -94.8 | -175.1 | 174.7 | -177.4 | 0 | 104.7 | K302 I306 | K302-K304 PolarHBondContact O-N 3.32Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 WeakPolarHBondContact O-CG1 3.37Å; K304-I306 PolarHBondContact O-N 2.92Å | ||
| 305 | V | 61.5 | Low | 65.1 | Low | 115 Ų | 115 | 137.1 Ų | 137.1 | 70% | 0.697 | 70% | 0.699 | S | S | * | * | trans | -58.5 | 107.5 | 154.4 | -178.5 | 0 | 0 | 0 | 0 | 103.8 | E303 D307 | E303-V305 PolarHBondContact O-N 3.07Å; V305-D307 VanDerWaalsContact C-N 3.26Å; V305-D307 PolarHBondContact O-N 3.19Å | ||
| 306 | I | 63.4 | Low | 65 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 65% | 0.651 | 69% | 0.692 | S | S | * | * | trans | -70.4 | 91.7 | -177.5 | -59.7 | 174.8 | 0 | 0 | 0 | 105.5 | K304 T308 | K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 WeakPolarHBondContact O-CG1 3.37Å; K304-I306 PolarHBondContact O-N 2.92Å; I306-T308 WeakPolarHBondContact CG2-O 3.27Å; I306-T308 WeakPolarHBondContact CG2-OG1 3.38Å; I306-T308 PolarHBondContact O-N 3.4Å | ||
| 307 | D | 62.2 | Low | 64.6 | Low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | trans | -67.3 | -10.4 | 174.3 | -93.9 | -7.3 | 0 | 0 | 0 | 112.4 | V305 P309 | V305-D307 VanDerWaalsContact C-N 3.26Å; V305-D307 PolarHBondContact O-N 3.19Å; D307-P309 WeakPolarHBondContact O-CD 3.15Å | ||
| 308 | T | 63.9 | Low | 63.9 | Low | 96 Ų | 96 | 135.8 Ų | 135.8 | 59% | 0.589 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -74 | 107.4 | 166.3 | 35.1 | 0 | 0 | 0 | 0 | 108.5 | I306 G310 | I306-T308 WeakPolarHBondContact CG2-O 3.27Å; I306-T308 WeakPolarHBondContact CG2-OG1 3.38Å; I306-T308 PolarHBondContact O-N 3.4Å; T308-G310 PolarHBondContact O-N 3.31Å |
| 309 | P | 66 | Low | 63 | Low | 55 Ų | 55 | 130.8 Ų | 130.8 | 36% | 0.357 | 69% | 0.685 | S | S | . | * | trans | -50.9 | 134.2 | 171.4 | 20.4 | -31.6 | 0 | 0 | 0 | 108.6 | D307 A313 Y314 | D307-P309 WeakPolarHBondContact O-CD 3.15Å; P309-A313 HydrophobicContact CB-CB 3.45Å; P309-A313 VanDerWaalsContact CB-CB 3.45Å; P309-Y314 HydrophobicContact CG-CD1 4.35Å; P309-Y314 HydrophobicContact CG-CE1 3.81Å; P309-Y314 HydrophobicContact CG-CE2 4.2Å | ||
| 310 | G | 72.9 | Confident | 62.2 | Low | 43 Ų | 43 | 126 Ų | 126 | 44% | 0.443 | 67% | 0.672 | S | S | . | * | trans | -51.7 | 159.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T308 N312 A313 | T308-G310 PolarHBondContact O-N 3.31Å; G310-N312 PolarHBondContact O-N 3.49Å; G310-A313 PolarHBondContact O-N 3.47Å | ||
| 311 | P | 65.8 | Low | 61.2 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -14.5 | -173.1 | 16.6 | -29.1 | 0 | 0 | 0 | 115 | ||
| 312 | N | 65.8 | Low | 60.3 | Low | 155 Ų | 155 | 117.9 Ų | 117.9 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -6.2 | -177 | -46.7 | 21 | 0 | 0 | 0 | 113.4 | G310 | G310-N312 PolarHBondContact O-N 3.49Š|
| 313 | A | 68.4 | Low | 59.3 | Low | 66 Ų | 66 | 119.3 Ų | 119.3 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | trans | -93 | 1.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P309 G310 D315 | P309-A313 HydrophobicContact CB-CB 3.45Å; P309-A313 VanDerWaalsContact CB-CB 3.45Å; G310-A313 PolarHBondContact O-N 3.47Å; A313-D315 PolarHBondContact O-N 3.4Å; A313-D315 VanDerWaalsContact O-N 3.13Å | ||
| 314 | Y | 59.9 | Low | 58.4 | Low | 150 Ų | 150 | 117.3 Ų | 117.3 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -76.1 | 95.8 | 165.8 | -62.2 | -80 | 0 | 0 | 0 | 109.1 | P309 L316 | P309-Y314 HydrophobicContact CG-CD1 4.35Å; P309-Y314 HydrophobicContact CG-CE1 3.81Å; P309-Y314 HydrophobicContact CG-CE2 4.2Å; Y314-L316 PolarHBondContact O-N 3.05Å; Y314-L316 VanDerWaalsContact O-N 3.16Å |
| 315 | D | 55.3 | Low | 57.5 | Low | 134 Ų | 134 | 119 Ų | 119 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | trans | -66.9 | 115 | 175 | -156.3 | 2.8 | 0 | 0 | 0 | 109.5 | A313 K317 | A313-D315 PolarHBondContact O-N 3.4Å; A313-D315 VanDerWaalsContact O-N 3.13Å; D315-K317 PolarHBondContact O-N 2.74Å; D315-K317 WeakPolarHBondContact OD1-CG 3.24Å | ||
| 316 | L | 55.6 | Low | 57 | Low | 145 Ų | 145 | 119.7 Ų | 119.7 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 37.7 | -175.2 | -76.7 | 154.3 | 0 | 0 | 0 | 112 | Y314 I321 | Y314-L316 PolarHBondContact O-N 3.05Å; Y314-L316 VanDerWaalsContact O-N 3.16Å; L316-I321 HydrophobicContact CD2-CD1 3.55Å |
| 317 | K | 56.7 | Low | 56.4 | Low | 172 Ų | 172 | 124.6 Ų | 124.6 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -8.8 | -172 | -71.5 | -93 | -177.2 | 162.7 | 0 | 114.7 | D315 | D315-K317 PolarHBondContact O-N 2.74Å; D315-K317 WeakPolarHBondContact OD1-CG 3.24Å |
| 318 | S | 49 | Very low | 55.8 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -113 | 90 | -179.4 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | A320 | S318-A320 PolarHBondContact O-N 2.82Š|
| 319 | G | 49.4 | Very low | 54.9 | Low | 51 Ų | 51 | 127.5 Ų | 127.5 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | S | Bend | trans | 23.6 | 5.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | I321 S322 | G319-I321 VanDerWaalsContact C-N 3.3Å; G319-I321 PolarHBondContact O-N 3.07Å; G319-S322 PolarHBondContact O-N 2.68Å; G319-S322 PolarHBondContact O-OG 3.31Å |
| 320 | A | 48.9 | Very low | 54.2 | Low | 58 Ų | 58 | 132.3 Ų | 132.3 | 48% | 0.479 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -76.2 | -19.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S318 | S318-A320 PolarHBondContact O-N 2.82Å |
| 321 | I | 52.1 | Low | 53.2 | Low | 110 Ų | 110 | 136.2 Ų | 136.2 | 56% | 0.564 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -75.4 | -37 | 177.6 | -63.8 | 167.6 | 0 | 0 | 0 | 110.5 | L316 G319 R323 R324 | L316-I321 HydrophobicContact CD2-CD1 3.55Å; G319-I321 VanDerWaalsContact C-N 3.3Å; G319-I321 PolarHBondContact O-N 3.07Å; I321-R323 VanDerWaalsContact C-N 3.33Å; I321-R323 PolarHBondContact O-N 3.41Å; I321-R324 WeakPolarHBondContact O-CB 3.49Å; I321-R324 PolarHBondContact O-N 3.36Å |
| 322 | S | 49.6 | Very low | 53 | Low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.3 | -36 | -177.8 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | G319 | G319-S322 PolarHBondContact O-N 2.68Å; G319-S322 PolarHBondContact O-OG 3.31Å |
| 323 | R | 46.2 | Very low | 52.6 | Low | 198 Ų | 198 | 135.3 Ų | 135.3 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85.5 | -9.8 | 178.3 | -61.7 | -156.5 | -59.9 | -104.1 | 3 | 114.4 | I321 W325 | I321-R323 VanDerWaalsContact C-N 3.33Å; I321-R323 PolarHBondContact O-N 3.41Å; R323-W325 VanDerWaalsContact C-N 3.3Å; R323-W325 PolarHBondContact O-N 3.46Å |
| 324 | R | 48.9 | Very low | 52.8 | Low | 128 Ų | 128 | 141.9 Ų | 141.9 | 48% | 0.483 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -69.1 | -26.5 | -176.6 | -174.1 | 174.6 | -70.1 | -179 | 0.3 | 113 | I321 L326 | I321-R324 WeakPolarHBondContact O-CB 3.49Å; I321-R324 PolarHBondContact O-N 3.36Å; R324-L326 VanDerWaalsContact C-N 3.32Å; R324-L326 PolarHBondContact O-N 3.46Å |
| 325 | W | 47.3 | Very low | 52.5 | Low | 222 Ų | 222 | 139.9 Ų | 139.9 | 84% | 0.841 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -28.8 | -175.5 | -165 | 75.8 | 0 | 0 | 0 | 113.2 | R323 | R323-W325 VanDerWaalsContact C-N 3.3Å; R323-W325 PolarHBondContact O-N 3.46Å |
| 326 | L | 50.9 | Low | 53 | Low | 131 Ų | 131 | 136.4 Ų | 136.4 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -4.6 | -166.9 | -72.7 | 167.9 | 0 | 0 | 0 | 116.5 | R324 | R324-L326 VanDerWaalsContact C-N 3.32Å; R324-L326 PolarHBondContact O-N 3.46Å |
| 327 | R | 49.2 | Very low | 53 | Low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | trans | -126.3 | 17.9 | -174.5 | -68.4 | -157.6 | -177.9 | -154.1 | 2.9 | 117.5 | F329 | R327-F329 PolarHBondContact O-N 3.49Š| ||
| 328 | R | 49.7 | Very low | 53.4 | Low | 105 Ų | 105 | 130 Ų | 130 | 40% | 0.396 | 67% | 0.665 | S | S | . | * | trans | -89.4 | 26.4 | 179.4 | -68.8 | -158.9 | -178.2 | -160.3 | 4.6 | 116.4 | Q330 D335 T337 | R328-Q330 VanDerWaalsContact C-N 3.31Å; R328-Q330 PolarHBondContact O-N 3.44Å; R328-D335 IonicContact CZ-OD1 2.91Å; R328-D335 IonicContact CZ-OD2 3.3Å; R328-D335 IonicContact NH1-OD1 2.72Å; R328-D335 PolarHBondContact NH1-OD1 3.07Å; R328-D335 IonicContact NH1-OD2 2.71Å; R328-D335 PolarHBondContact NH1-OD2 2.97Å; R328-T337 VanDerWaalsContact NH2-CG2 3.33Å | ||
| 329 | F | 46.3 | Very low | 54 | Low | 201 Ų | 201 | 132 Ų | 132 | 88% | 0.882 | 66% | 0.662 | S | S | * | * | trans | -90.1 | 24.8 | 171.8 | -77 | -69.3 | 0 | 0 | 0 | 114.7 | R327 | R327-F329 PolarHBondContact O-N 3.49Š| ||
| 330 | Q | 50.8 | Low | 54.8 | Low | 155 Ų | 155 | 139.8 Ų | 139.8 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -124.3 | 110.5 | 164.7 | -67.3 | -62.7 | -21.5 | 0 | 0 | 109.3 | R328 K332 | R328-Q330 VanDerWaalsContact C-N 3.31Å; R328-Q330 PolarHBondContact O-N 3.44Å; Q330-K332 PolarHBondContact O-N 3.04Å |
| 331 | P | 52 | Low | 55.4 | Low | 125 Ų | 125 | 144.6 Ų | 144.6 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -69 | 106.6 | -176.3 | 27 | -30.8 | 0 | 0 | 0 | 109.4 | ||||
| 332 | K | 61.6 | Low | 55.7 | Low | 150 Ų | 150 | 144 Ų | 144 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | trans | -99.1 | 132.2 | 166.6 | -67.7 | -175.2 | 178.7 | -174.1 | 0 | 108.4 | Q330 F334 D335 | Q330-K332 PolarHBondContact O-N 3.04Å; K332-F334 PolarHBondContact O-N 2.79Å; K332-D335 PolarHBondContact O-N 2.77Å | ||
| 333 | P | 58.1 | Low | 55.7 | Low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -58 | 134.9 | -178.6 | 23.7 | -32.3 | 0 | 0 | 0 | 110.1 | D335 | P333-D335 PolarHBondContact O-N 2.87Š|
| 334 | F | 70.6 | Confident | 56 | Low | 203 Ų | 203 | 144 Ų | 144 | 89% | 0.89 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | 71.1 | 15.1 | 178.4 | -48.9 | -74.5 | 0 | 0 | 0 | 117.7 | K332 A336 | K332-F334 PolarHBondContact O-N 2.79Å; F334-A336 PolarHBondContact O-N 2.87Å |
| 335 | D | 54.5 | Low | 55.9 | Low | 109 Ų | 109 | 143.1 Ų | 143.1 | 58% | 0.583 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | 58.3 | 19.8 | 170.8 | -144.3 | 33 | 0 | 0 | 0 | 113.9 | R328 K332 P333 T337 | R328-D335 IonicContact CZ-OD1 2.91Å; R328-D335 IonicContact CZ-OD2 3.3Å; R328-D335 IonicContact NH1-OD1 2.72Å; R328-D335 PolarHBondContact NH1-OD1 3.07Å; R328-D335 IonicContact NH1-OD2 2.71Å; R328-D335 PolarHBondContact NH1-OD2 2.97Å; K332-D335 PolarHBondContact O-N 2.77Å; P333-D335 PolarHBondContact O-N 2.87Å; D335-T337 PolarHBondContact O-N 3.18Å |
| 336 | A | 66.7 | Low | 56.2 | Low | 60 Ų | 60 | 138 Ų | 138 | 50% | 0.496 | 70% | 0.698 | S | S | . | * | trans | -74.6 | 103.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | F334 | F334-A336 PolarHBondContact O-N 2.87Š| ||
| 337 | T | 53.9 | Low | 56.2 | Low | 86 Ų | 86 | 136.9 Ų | 136.9 | 53% | 0.528 | 71% | 0.707 | S | S | . | * | trans | -92.1 | 5.2 | -179.7 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | R328 D335 | R328-T337 VanDerWaalsContact NH2-CG2 3.33Å; D335-T337 PolarHBondContact O-N 3.18Å | ||
| 338 | S | 66.8 | Low | 56.6 | Low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -85.7 | 121.8 | 176.6 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | R340 | S338-R340 PolarHBondContact O-N 2.74Š|
| 339 | E | 60.1 | Low | 56.5 | Low | 152 Ų | 152 | 132.9 Ų | 132.9 | 71% | 0.71 | 70% | 0.7 | S | S | * | * | trans | -62 | 108.2 | 164.2 | -74.5 | -178.9 | 170.9 | 0 | 0 | 107.4 | F341 | E339-F341 PolarHBondContact O-N 2.98Š| ||
| 340 | R | 66.6 | Low | 57 | Low | 215 Ų | 215 | 126.4 Ų | 126.4 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -62.3 | -24.3 | -178.1 | -165.3 | 176.9 | -152.3 | -127.9 | 4 | 112 | S338 | S338-R340 PolarHBondContact O-N 2.74Š|
| 341 | F | 61.1 | Low | 57.3 | Low | 159 Ų | 159 | 125.1 Ų | 125.1 | 70% | 0.697 | 69% | 0.688 | S | S | * | * | trans | -139.8 | 107.6 | -178.6 | -57.1 | -69.7 | 0 | 0 | 0 | 109.7 | E339 | E339-F341 PolarHBondContact O-N 2.98Š| ||
| 342 | T | 59.7 | Low | 57.5 | Low | 97 Ų | 97 | 126.8 Ų | 126.8 | 60% | 0.595 | 69% | 0.69 | S | S | * | * | trans | -84.3 | 112.8 | 160.3 | 55.3 | 0 | 0 | 0 | 0 | 107.1 | Q344 | T342-Q344 PolarHBondContact O-N 3.03Š| ||
| 343 | T | 49.5 | Very low | 56.7 | Low | 137 Ų | 137 | 122.7 Ų | 122.7 | 84% | 0.84 | 68% | 0.681 | S | S | * | * | trans | -72.5 | 82.5 | 169.6 | 52.4 | 0 | 0 | 0 | 0 | 108.3 | S345 | T343-S345 VanDerWaalsContact C-N 3.28Å; T343-S345 PolarHBondContact O-N 3.31Å | ||
| 344 | Q | 51.7 | Low | 56.4 | Low | 155 Ų | 155 | 125.4 Ų | 125.4 | 72% | 0.724 | 68% | 0.679 | S | S | * | * | trans | -71.5 | 93.9 | 161.1 | -70.6 | -91.1 | -17.7 | 0 | 0 | 105.6 | T342 D346 | T342-Q344 PolarHBondContact O-N 3.03Å; Q344-D346 PolarHBondContact O-N 3.21Å | ||
| 345 | S | 47.9 | Very low | 55.3 | Low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | -74.5 | 84.9 | 169 | 58 | 0 | 0 | 0 | 0 | 107.6 | T343 A347 | T343-S345 VanDerWaalsContact C-N 3.28Å; T343-S345 PolarHBondContact O-N 3.31Å; S345-A347 PolarHBondContact O-N 3.33Å | ||
| 346 | D | 53.6 | Low | 54.8 | Low | 115 Ų | 115 | 124.7 Ų | 124.7 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | -66.4 | 104 | 164.6 | -80.8 | -23.3 | 0 | 0 | 0 | 107 | Q344 R348 | Q344-D346 PolarHBondContact O-N 3.21Å; D346-R348 HydrophobicContact CB-CG 4.33Å; D346-R348 PolarHBondContact O-N 3.19Å | ||
| 347 | A | 50.3 | Low | 53.7 | Low | 106 Ų | 106 | 128.2 Ų | 128.2 | 88% | 0.876 | 69% | 0.693 | S | S | * | * | trans | -65.9 | 73.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S345 | S345-A347 PolarHBondContact O-N 3.33Š| ||
| 348 | R | 57.3 | Low | 53.2 | Low | 190 Ų | 190 | 132 Ų | 132 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 128.5 | 169.7 | -72.5 | -175.3 | 167.9 | -173.4 | -4.3 | 107.7 | D346 | D346-R348 HydrophobicContact CB-CG 4.33Å; D346-R348 PolarHBondContact O-N 3.19Å |
| 349 | P | 48.1 | Very low | 51.8 | Low | 61 Ų | 61 | 130.7 Ų | 130.7 | 40% | 0.396 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 152.1 | -175 | 28.4 | -37 | 0 | 0 | 0 | 110.2 | Y354 | P349-Y354 WeakPolarHBondContact CD-OH 3.07Å; P349-Y354 HydrophobicContact CG-CE1 3.73Å; P349-Y354 HydrophobicContact CG-CE2 3.91Å; P349-Y354 WeakPolarHBondContact CG-OH 3.28Å |
| 350 | A | 55.2 | Low | 50.7 | Low | 65 Ų | 65 | 131.3 Ų | 131.3 | 54% | 0.537 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 147.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N352 S353 | A350-N352 PolarHBondContact O-N 2.74Å; A350-S353 PolarHBondContact O-N 2.87Å; A350-S353 VanDerWaalsContact O-N 3.08Å; A350-S353 PolarHBondContact O-OG 3.11Å |
| 351 | P | 58.5 | Low | 49.2 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -13.1 | -171.7 | -26 | 32.4 | 0 | 0 | 0 | 116.3 | ||
| 352 | N | 55.2 | Low | 47.9 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 15.9 | -174.9 | -68.5 | 45.5 | 0 | 0 | 0 | 114.4 | A350 | A350-N352 PolarHBondContact O-N 2.74Š|
| 353 | S | 45.4 | Very low | 46.5 | Very low | 64 Ų | 64 | 133 Ų | 133 | 45% | 0.448 | 74% | 0.743 | S | S | . | * | trans | -128.9 | 63.8 | -175 | 53.4 | 0 | 0 | 0 | 0 | 114 | A350 | A350-S353 PolarHBondContact O-N 2.87Å; A350-S353 VanDerWaalsContact O-N 3.08Å; A350-S353 PolarHBondContact O-OG 3.11Å | ||
| 354 | Y | 51.9 | Low | 45.9 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | -131.1 | 112.7 | 158.4 | -65.5 | -77.9 | 0 | 0 | 0 | 108.7 | P349 | P349-Y354 WeakPolarHBondContact CD-OH 3.07Å; P349-Y354 HydrophobicContact CG-CE1 3.73Å; P349-Y354 HydrophobicContact CG-CE2 3.91Å; P349-Y354 WeakPolarHBondContact CG-OH 3.28Å | ||
| 355 | N | 47.3 | Very low | 45.3 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 92% | 0.92 | 74% | 0.742 | S | S | * | * | trans | -77.2 | 137.9 | 172.8 | -160.8 | -0.3 | 0 | 0 | 0 | 109.1 | ||||
| 356 | I | 44 | Very low | 45.1 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -109 | 133.9 | -164.6 | -71.4 | 170.2 | 0 | 0 | 0 | 107.8 | ||||
| 357 | D | 43 | Very low | 44.2 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 70.5 | 114.7 | 155.1 | -59.7 | -15 | 0 | 0 | 0 | 119.8 | ||||
| 358 | D | 44.9 | Very low | 43.8 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | 159.2 | 125.2 | 104.3 | -87.4 | -28 | 0 | 0 | 0 | 113.8 | |||||
| 359 | G | 36.4 | Very low | 43 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 89 | 132.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 360 | L | 36.3 | Very low | 42.3 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 88.2 | 103.1 | 151.8 | -49.5 | -178.2 | 0 | 0 | 0 | 119.9 | ||||
| 361 | T | 35.5 | Very low | 41.6 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 18.8 | 109.2 | 137.6 | 58.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 362 | C | 34.6 | Very low | 40.5 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | -164.9 | 136.6 | 125.2 | -95.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 363 | R | 29.6 | Very low | 39.7 | Very low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 118.4 | 170.1 | -70.6 | 161.3 | 70.3 | 112.9 | -4.5 | 108.7 | ||||
| 364 | L | 36.7 | Very low | 39.6 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -163.8 | 115.2 | 137.3 | -137.5 | 111.5 | 0 | 0 | 0 | 109.4 | ||||
| 365 | D | 39.5 | Very low | 39.2 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | 43.1 | 114.5 | 140.2 | -59 | -18.1 | 0 | 0 | 0 | 123 | ||||
| 366 | F | 42.8 | Very low | 38.8 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | 70.8 | 108.8 | 150.5 | -79 | -89.9 | 0 | 0 | 0 | 122.6 | ||||
| 367 | S | 36.6 | Very low | 38.5 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | 171.5 | 175.4 | 103.4 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 368 | Q | 40.8 | Very low | 38.7 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -91.4 | 164.8 | -145 | -60.4 | 174.9 | -10.3 | 0 | 0 | 117 | ||||
| 369 | S | 40.7 | Very low | 38.7 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 93.4 | 109.1 | 134.4 | 76.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 370 | G | 34.3 | Very low | 38.9 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | 101.5 | 109.3 | 123.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 371 | K | 40.1 | Very low | 39.1 | Very low | 213 Ų | 213 | 144.9 Ų | 144.9 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -127.1 | 95.1 | 141.3 | -71.7 | -173 | -179.1 | 178.5 | 0 | 108.7 | ||||
| 372 | C | 34.9 | Very low | 39.1 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -79.9 | 128 | 173.4 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 373 | V | 39.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -103.4 | 126.6 | 175 | 174.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 374 | G | 42.2 | Very low | 39.4 | Very low | 59 Ų | 59 | 141.5 Ų | 141.5 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 55.6 | 101.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | G376 | G374-G376 PolarHBondContact O-N 3.17Š|
| 375 | F | 43 | Very low | 39.1 | Very low | 209 Ų | 209 | 143.3 Ų | 143.3 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 35.9 | 76.8 | 160.5 | -154.3 | -101.4 | 0 | 0 | 0 | 116.1 | S377 | F375-S377 VanDerWaalsContact C-N 3.26Å; F375-S377 PolarHBondContact O-N 3.44Å; F375-S377 PolarHBondContact O-OG 3.25Å |
| 376 | G | 38.9 | Very low | 38.9 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.7 | 12.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | G374 | G374-G376 PolarHBondContact O-N 3.17Š|
| 377 | S | 39 | Very low | 38.5 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -108.9 | 100.2 | -179.3 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | F375 A379 | F375-S377 VanDerWaalsContact C-N 3.26Å; F375-S377 PolarHBondContact O-N 3.44Å; F375-S377 PolarHBondContact O-OG 3.25Å; S377-A379 VanDerWaalsContact C-N 3.34Å | ||
| 378 | T | 45.6 | Very low | 38.1 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -90.8 | 15.8 | 177.8 | 1.1 | 0 | 0 | 0 | 0 | 114 | K380 | T378-K380 PolarHBondContact O-N 3Å; T378-K380 VanDerWaalsContact O-N 3.15Å | ||
| 379 | A | 45 | Very low | 37.5 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 103.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | S377 R381 | S377-A379 VanDerWaalsContact C-N 3.34Å; A379-R381 PolarHBondContact O-N 3.06Å | ||
| 380 | K | 42.2 | Very low | 36.9 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -57.5 | 100.8 | 172.4 | -165.1 | -177 | -177.3 | -169.8 | 0 | 108.6 | T378 M382 | T378-K380 PolarHBondContact O-N 3Å; T378-K380 VanDerWaalsContact O-N 3.15Å; K380-M382 PolarHBondContact O-N 3.21Å | ||
| 381 | R | 40.8 | Very low | 36.7 | Very low | 221 Ų | 221 | 149.8 Ų | 149.8 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -69.8 | 120.3 | 170.9 | -84.7 | -164.3 | -115.2 | -124.4 | 1.7 | 109 | A379 | A379-R381 PolarHBondContact O-N 3.06Š| ||
| 382 | M | 35.2 | Very low | 36.3 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | 28.3 | 124.1 | 155.1 | 45.6 | -98.7 | -75.6 | 0 | 0 | 120.2 | K380 | K380-M382 PolarHBondContact O-N 3.21Š| ||
| 383 | N | 36.3 | Very low | 36.2 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | 73.6 | 91.1 | 126.5 | -55.7 | -9.2 | 0 | 0 | 0 | 117.2 | |||||
| 384 | D | 32.6 | Very low | 36 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -12.6 | 140.9 | 131.5 | -62.9 | -30.7 | 0 | 0 | 0 | 115.9 | ||||
| 385 | K | 32.2 | Very low | 36.1 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 68.5 | 89.8 | 160.4 | -68.7 | -179.8 | 173.7 | -174.4 | 0 | 115.5 | ||||
| 386 | L | 33.9 | Very low | 35.6 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | -155.5 | 63.7 | 113.7 | -76.7 | -167.3 | 0 | 0 | 0 | 108.9 | |||||
| 387 | I | 35.2 | Very low | 35.8 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | trans | -93.4 | 145.2 | 146.4 | -56 | -175.7 | 0 | 0 | 0 | 105.1 | ||||
| 388 | F | 29.1 | Very low | 36 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | trans | 101.4 | 89.7 | 167.3 | -56.6 | -72.6 | 0 | 0 | 0 | 115.8 | ||||
| 389 | G | 27.6 | Very low | 36.1 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 178.9 | 64.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 390 | R | 28.4 | Very low | 36.4 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | 84.7 | 106.4 | 94.9 | -174.9 | -175.8 | -170.8 | -105.4 | 7.8 | 112 | |||||
| 391 | K | 28.9 | Very low | 37 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | trans | 79.3 | 140 | 141.7 | -66.7 | 176.4 | -175.8 | -165.7 | 0 | 119.4 | ||||
| 392 | S | 32.2 | Very low | 37.9 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 67.6 | 105.6 | 152.1 | 49.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 393 | S | 32.8 | Very low | 38.6 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | 28.1 | 120.9 | 127 | 56.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 394 | D | 36 | Very low | 39.5 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 73 | 97.4 | 153 | -57.4 | -23.2 | 0 | 0 | 0 | 117.7 | ||
| 395 | G | 42.6 | Very low | 40.3 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 90.7 | 77.3 | 136 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 396 | L | 33.5 | Very low | 41.2 | Very low | 185 Ų | 185 | 131 Ų | 131 | 97% | 0.969 | 74% | 0.743 | S | S | * | * | trans | -169.4 | 75.4 | 147.6 | -101.2 | 146.2 | 0 | 0 | 0 | 109.3 | ||||
| 397 | S | 42.1 | Very low | 42.1 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -134.7 | 79.1 | 173 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 398 | D | 44.3 | Very low | 42.4 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | trans | -134.3 | 58.6 | 172.6 | -82.1 | -33.4 | 0 | 0 | 0 | 111.8 | ||||
| 399 | I | 48 | Very low | 42.6 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -136.9 | 102.4 | 159.1 | -50.1 | 168.4 | 0 | 0 | 0 | 108.3 | ||||
| 400 | P | 50.9 | Low | 43 | Very low | 60 Ų | 60 | 132 Ų | 132 | 39% | 0.39 | 74% | 0.741 | S | S | . | * | trans | -78 | 146.1 | -174.1 | 27.2 | -31.4 | 0 | 0 | 0 | 113.8 | Q404 | P400-Q404 HydrophobicContact CB-CB 3.53Å; P400-Q404 HydrophobicContact CB-CG 4.45Å | ||
| 401 | G | 53.7 | Low | 43.1 | Very low | 31 Ų | 31 | 131.5 Ų | 131.5 | 32% | 0.32 | 75% | 0.748 | S | S | . | * | trans | -82 | 174.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G403 Q404 | G401-G403 PolarHBondContact O-N 3.42Å; G401-Q404 WeakPolarHBondContact O-CB 3.38Å; G401-Q404 PolarHBondContact O-N 3.37Å | ||
| 402 | P | 60.4 | Low | 43.6 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -19 | -167.1 | 20.8 | -32.2 | 0 | 0 | 0 | 116.4 | ||
| 403 | G | 50.3 | Low | 43.6 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -5.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | G401 | G401-G403 PolarHBondContact O-N 3.42Š|
| 404 | Q | 56 | Low | 43.8 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 64% | 0.64 | 76% | 0.764 | S | S | * | * | trans | -103.7 | -0.4 | -176.6 | -72.5 | 176.8 | -61.4 | 0 | 0 | 113.3 | P400 G401 N406 | P400-Q404 HydrophobicContact CB-CB 3.53Å; P400-Q404 HydrophobicContact CB-CG 4.45Å; G401-Q404 WeakPolarHBondContact O-CB 3.38Å; G401-Q404 PolarHBondContact O-N 3.37Å; Q404-N406 VanDerWaalsContact C-N 3.34Å; Q404-N406 PolarHBondContact O-N 3.25Å | ||
| 405 | Y | 49.5 | Very low | 43.6 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | trans | -71.9 | 92.8 | 165.6 | -64.4 | -78.1 | 0 | 0 | 0 | 108.5 | P407 | Y405-P407 WeakPolarHBondContact O-CD 3.4Š| ||
| 406 | N | 49.8 | Very low | 43.3 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -79.5 | 109.3 | 162.1 | -163.5 | 13.7 | 0 | 0 | 0 | 107 | Q404 Q408 | Q404-N406 VanDerWaalsContact C-N 3.34Å; Q404-N406 PolarHBondContact O-N 3.25Å; N406-Q408 PolarHBondContact O-N 3.47Å | ||
| 407 | P | 52.7 | Low | 43.5 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -62.8 | 111.6 | 176.2 | 26.3 | -32.7 | 0 | 0 | 0 | 108.4 | Y405 K409 | Y405-P407 WeakPolarHBondContact O-CD 3.4Å; P407-K409 PolarHBondContact O-N 2.67Å | ||
| 408 | Q | 41.5 | Very low | 43.1 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -55.8 | 131 | 160.4 | -80 | -177.9 | -7 | 0 | 0 | 107.7 | N406 C410 | N406-Q408 PolarHBondContact O-N 3.47Å; Q408-C410 PolarHBondContact O-N 3.48Å; Q408-C410 VanDerWaalsContact O-N 3.14Å | ||
| 409 | K | 34.7 | Very low | 42.8 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -61.7 | 112 | -170.3 | -60 | 173.8 | -178.9 | 179.1 | 0 | 110.3 | P407 | P407-K409 PolarHBondContact O-N 2.67Š| ||
| 410 | C | 34 | Very low | 42.1 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | trans | -93.4 | 101.9 | 154.5 | -74.7 | 0 | 0 | 0 | 0 | 107.6 | Q408 G412 | Q408-C410 PolarHBondContact O-N 3.48Å; Q408-C410 VanDerWaalsContact O-N 3.14Å; C410-G412 PolarHBondContact O-N 3.2Å | ||
| 411 | E | 32.2 | Very low | 41.8 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -63.8 | 121.2 | 162.6 | -61.5 | -165.3 | 166.7 | 0 | 0 | 108.6 | ||||
| 412 | G | 38.1 | Very low | 41.1 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 179.4 | 83.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C410 | C410-G412 PolarHBondContact O-N 3.2Š| ||
| 413 | K | 32.3 | Very low | 40.2 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -49.3 | 136.8 | 166.7 | -60.1 | 165.4 | -177.5 | 173.2 | 0 | 109 | ||||
| 414 | Y | 37.7 | Very low | 39.8 | Very low | 221 Ų | 221 | 148.2 Ų | 148.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | 169.6 | 157.2 | 125.4 | -90.6 | -69.5 | 0 | 0 | 0 | 111.6 | |||||
| 415 | T | 31.9 | Very low | 39.3 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -102.3 | 159.3 | -152.5 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 416 | S | 36.7 | Very low | 39 | Very low | 95 Ų | 95 | 155.2 Ų | 155.2 | 66% | 0.664 | 82% | 0.821 | S | S | * | * | trans | 97.5 | 139.4 | 133.4 | 89.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 417 | K | 36.1 | Very low | 38.8 | Very low | 185 Ų | 185 | 157.8 Ų | 157.8 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 97.1 | 99.9 | 146.6 | -62.8 | -179.5 | -167 | -176 | 0 | 119.3 | ||||
| 418 | A | 33.9 | Very low | 38.9 | Very low | 92 Ų | 92 | 159.7 Ų | 159.7 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | trans | -31 | 147.8 | 144.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 419 | F | 39.1 | Very low | 38.9 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 91% | 0.908 | 83% | 0.829 | S | S | * | * | trans | -139.9 | 123.8 | 150.2 | -95.4 | -87.5 | 0 | 0 | 0 | 109.9 | ||||
| 420 | G | 33.9 | Very low | 39.7 | Very low | 75 Ų | 75 | 154.5 Ų | 154.5 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -91.6 | 168.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 421 | I | 43.9 | Very low | 40.4 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 86% | 0.862 | 82% | 0.822 | S | S | * | * | trans | -130.7 | 144.1 | -178.4 | -64.6 | 178.7 | 0 | 0 | 0 | 109.7 | ||||
| 422 | P | 38.1 | Very low | 41.2 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -100.8 | 168.3 | -148.5 | 37.6 | -31.9 | 0 | 0 | 0 | 116.3 | ||||
| 423 | K | 42 | Very low | 42 | Very low | 216 Ų | 216 | 155.2 Ų | 155.2 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -95.6 | 128.8 | -174.9 | -59.4 | -179.6 | 178.6 | -179.5 | 0 | 111.8 | ||||
| 424 | A | 42.9 | Very low | 43.3 | Very low | 102 Ų | 102 | 152 Ų | 152 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -126.3 | 136.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 425 | K | 44.1 | Very low | 44.8 | Very low | 210 Ų | 210 | 146 Ų | 146 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -81 | 140 | -167.4 | -62.3 | 173.6 | 177.5 | 178.3 | 0 | 111.6 | ||||
| 426 | R | 44.1 | Very low | 46.7 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -122.7 | 126.4 | 166.8 | -78 | -175.5 | 169.6 | 126.4 | -2.4 | 109.5 | ||||
| 427 | E | 44.7 | Very low | 48.4 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -87.5 | 135.9 | 175 | -66.4 | 179.2 | 168.7 | 0 | 0 | 109.3 | ||||
| 428 | I | 55.5 | Low | 49.9 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -122.4 | 110.1 | 179.8 | -55.7 | 162.6 | 0 | 0 | 0 | 106.4 | M430 | I428-M430 PolarHBondContact O-N 2.93Š| ||
| 429 | S | 42.2 | Very low | 51.8 | Low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 119.1 | 173.1 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 430 | M | 51.3 | Low | 53.6 | Low | 153 Ų | 153 | 134 Ų | 134 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 130.1 | 178.7 | -65.2 | -78.8 | -87.9 | 0 | 0 | 109.7 | I428 | I428-M430 PolarHBondContact O-N 2.93Š|
| 431 | P | 48 | Very low | 55.4 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 134.9 | 178 | 25.6 | -31.2 | 0 | 0 | 0 | 111.4 | S433 | P431-S433 PolarHBondContact O-N 3.29Å; P431-S433 VanDerWaalsContact O-N 3.11Å |
| 432 | Q | 49.1 | Very low | 57.1 | Low | 193 Ų | 193 | 133.4 Ų | 133.4 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -68.4 | 103.5 | 179.8 | -65.6 | -75.3 | -61 | 0 | 0 | 109.9 | ||||
| 433 | S | 55.5 | Low | 58.8 | Low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | trans | -67.1 | 132.8 | 169.5 | 170.3 | 0 | 0 | 0 | 0 | 110 | P431 V435 | P431-S433 PolarHBondContact O-N 3.29Å; P431-S433 VanDerWaalsContact O-N 3.11Å; S433-V435 PolarHBondContact O-N 3.48Å; S433-V435 PolarHBondContact OG-N 3.16Å | ||
| 434 | S | 59.7 | Low | 60.5 | Low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -75.8 | 6.2 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 114 | P436 | S434-P436 WeakPolarHBondContact O-CD 3.49Š|
| 435 | V | 68.8 | Low | 62.1 | Low | 96 Ų | 96 | 128.7 Ų | 128.7 | 58% | 0.582 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -87.9 | 114.4 | 175 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | S433 | S433-V435 PolarHBondContact O-N 3.48Å; S433-V435 PolarHBondContact OG-N 3.16Å |
| 436 | P | 71.4 | Confident | 63.4 | Low | 49 Ų | 49 | 121.3 Ų | 121.3 | 32% | 0.318 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 147 | 178.6 | 28.5 | -34.4 | 0 | 0 | 0 | 109.8 | S434 T440 Y441 | S434-P436 WeakPolarHBondContact O-CD 3.49Å; P436-T440 HydrophobicContact CB-CG2 4.27Å; P436-Y441 HydrophobicContact CG-CE2 3.95Å |
| 437 | P | 73.3 | Confident | 64.9 | Low | 87 Ų | 87 | 115.1 Ų | 115.1 | 57% | 0.565 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -59 | 151.5 | -176.5 | 23.3 | -32 | 0 | 0 | 0 | 111.5 | G439 T440 | P437-G439 PolarHBondContact O-N 3.28Å; P437-T440 PolarHBondContact O-N 2.91Å; P437-T440 PolarHBondContact O-OG1 2.72Å |
| 438 | P | 67.6 | Low | 66.3 | Low | 137 Ų | 137 | 109.9 Ų | 109.9 | 89% | 0.89 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 118.1 | 178.1 | 22.8 | -32 | 0 | 0 | 0 | 109.8 | ||
| 439 | G | 71.9 | Confident | 67.1 | Low | 77 Ų | 77 | 108.9 Ų | 108.9 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.6 | -13 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P437 | P437-G439 PolarHBondContact O-N 3.28Š|
| 440 | T | 77.4 | Confident | 68.7 | Low | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.564 | 62% | 0.623 | S | S | * | * | trans | -84 | -9 | 178.5 | -42.4 | 0 | 0 | 0 | 0 | 113.8 | P436 P437 D442 | P436-T440 HydrophobicContact CB-CG2 4.27Å; P437-T440 PolarHBondContact O-N 2.91Å; P437-T440 PolarHBondContact O-OG1 2.72Å; T440-D442 PolarHBondContact O-N 2.85Å | ||
| 441 | Y | 72.5 | Confident | 69.5 | Low | 153 Ų | 153 | 106.9 Ų | 106.9 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -77.1 | 113 | 178.3 | -70.2 | -84.1 | 0 | 0 | 0 | 110.6 | P436 F443 | P436-Y441 HydrophobicContact CG-CE2 3.95Å; Y441-F443 PolarHBondContact O-N 3.37Å |
| 442 | D | 79.9 | Confident | 70.1 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 42% | 0.417 | 60% | 0.6 | S | S | . | * | trans | -68.8 | 102.9 | 169.6 | -173 | -18.2 | 0 | 0 | 0 | 109.2 | T440 G444 K445 S446 | T440-D442 PolarHBondContact O-N 2.85Å; D442-G444 VanDerWaalsContact C-N 3.28Å; D442-G444 PolarHBondContact O-N 3.18Å; D442-G444 PolarHBondContact OD1-N 3.39Å; D442-K445 HydrophobicContact CB-CB 4.35Å; D442-K445 HydrophobicContact CB-CD 4.2Å; D442-K445 HydrophobicContact CB-CG 4.37Å; D442-K445 PolarHBondContact O-N 2.95Å; D442-K445 PolarHBondContact OD1-N 3.49Å; D442-K445 VanDerWaalsContact OD2-CD 3.27Å; D442-K445 WeakPolarHBondContact OD2-CD 3.43Å; D442-K445 WeakPolarHBondContact OD2-CE 3.18Å; D442-K445 WeakPolarHBondContact OD2-CG 3.4Å; D442-K445 IonicContact OD2-NZ 3.31Å; D442-K445 PolarHBondContact OD2-NZ 3Å; D442-S446 PolarHBondContact O-N 3.41Å; D442-S446 PolarHBondContact O-OG 2.62Å | ||
| 443 | F | 73.2 | Confident | 70.3 | Confident | 164 Ų | 164 | 104.9 Ų | 104.9 | 72% | 0.719 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.4 | -34.8 | -176.7 | -166.7 | -91.7 | 0 | 0 | 0 | 111.8 | Y441 S446 F447 | Y441-F443 PolarHBondContact O-N 3.37Å; F443-S446 PolarHBondContact O-N 3.49Å; F443-F447 WeakPolarHBondContact O-CB 3.27Å; F443-F447 PolarHBondContact O-N 3.19Å |
| 444 | G | 76.6 | Confident | 70.3 | Confident | 38 Ų | 38 | 112 Ų | 112 | 39% | 0.392 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63 | -49.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D442 S446 F447 D448 | D442-G444 VanDerWaalsContact C-N 3.28Å; D442-G444 PolarHBondContact O-N 3.18Å; D442-G444 PolarHBondContact OD1-N 3.39Å; G444-S446 VanDerWaalsContact C-N 3.32Å; G444-S446 PolarHBondContact O-N 3.42Å; G444-F447 PolarHBondContact O-N 3.35Å; G444-D448 PolarHBondContact O-N 3.38Å |
| 445 | K | 76.7 | Confident | 70.5 | Confident | 138 Ų | 138 | 112.3 Ų | 112.3 | 60% | 0.6 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.3 | -39.7 | 175.9 | -68.8 | 179.1 | -174.9 | 127.4 | 0 | 112.4 | D442 D448 V449 | D442-K445 HydrophobicContact CB-CB 4.35Å; D442-K445 HydrophobicContact CB-CD 4.2Å; D442-K445 HydrophobicContact CB-CG 4.37Å; D442-K445 PolarHBondContact O-N 2.95Å; D442-K445 PolarHBondContact OD1-N 3.49Å; D442-K445 VanDerWaalsContact OD2-CD 3.27Å; D442-K445 WeakPolarHBondContact OD2-CD 3.43Å; D442-K445 WeakPolarHBondContact OD2-CE 3.18Å; D442-K445 WeakPolarHBondContact OD2-CG 3.4Å; D442-K445 IonicContact OD2-NZ 3.31Å; D442-K445 PolarHBondContact OD2-NZ 3Å; K445-D448 PolarHBondContact O-N 3.1Å; K445-V449 VanDerWaalsContact O-CG2 3.24Å; K445-V449 WeakPolarHBondContact O-CG2 3.49Å; K445-V449 PolarHBondContact O-N 3.21Å |
| 446 | S | 72.4 | Confident | 70.3 | Confident | 56 Ų | 56 | 112.9 Ų | 112.9 | 39% | 0.392 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.5 | -38.8 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | D442 F443 G444 T450 | D442-S446 PolarHBondContact O-N 3.41Å; D442-S446 PolarHBondContact O-OG 2.62Å; F443-S446 PolarHBondContact O-N 3.49Å; G444-S446 VanDerWaalsContact C-N 3.32Å; G444-S446 PolarHBondContact O-N 3.42Å; S446-T450 WeakPolarHBondContact O-CB 3.2Å; S446-T450 WeakPolarHBondContact O-CG2 3.39Å; S446-T450 PolarHBondContact O-N 2.71Å; S446-T450 VanDerWaalsContact O-N 3.09Å; S446-T450 PolarHBondContact O-OG1 3.13Å |
| 447 | F | 75 | Confident | 70.3 | Confident | 108 Ų | 108 | 115 Ų | 115 | 47% | 0.474 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.5 | -46.2 | 173.9 | -175.2 | -93.1 | 0 | 0 | 0 | 111.3 | F443 G444 V449 T450 Q451 | F443-F447 WeakPolarHBondContact O-CB 3.27Å; F443-F447 PolarHBondContact O-N 3.19Å; G444-F447 PolarHBondContact O-N 3.35Å; F447-V449 VanDerWaalsContact C-N 3.32Å; F447-V449 PolarHBondContact O-N 2.88Å; F447-T450 PolarHBondContact O-N 2.72Å; F447-T450 PolarHBondContact O-OG1 3.19Å; F447-Q451 HydrophobicContact CD1-CB 4.29Å; F447-Q451 HydrophobicContact CD1-CG 4.42Å; F447-Q451 HydrophobicContact CD2-CG 3.79Å; F447-Q451 HydrophobicContact CE1-CB 4Å; F447-Q451 HydrophobicContact CE1-CG 4.23Å; F447-Q451 HydrophobicContact CE2-CB 4.26Å; F447-Q451 HydrophobicContact CE2-CG 3.58Å; F447-Q451 HydrophobicContact CG-CG 4.22Å; F447-Q451 HydrophobicContact CZ-CB 3.99Å; F447-Q451 HydrophobicContact CZ-CG 3.81Å; F447-Q451 VanDerWaalsContact O-CB 3.28Å; F447-Q451 WeakPolarHBondContact O-CB 3.43Å; F447-Q451 PolarHBondContact O-N 2.94Å |
| 448 | D | 74.4 | Confident | 70.6 | Confident | 90 Ų | 90 | 116 Ų | 116 | 48% | 0.481 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -60.4 | -41.2 | 176.9 | -77 | -29.3 | 0 | 0 | 0 | 112.2 | G444 K445 T450 C452 | G444-D448 PolarHBondContact O-N 3.38Å; K445-D448 PolarHBondContact O-N 3.1Å; D448-T450 VanDerWaalsContact C-N 3.35Å; D448-T450 PolarHBondContact O-N 2.85Å; D448-C452 HydrophobicContact CB-CB 4.45Å; D448-C452 WeakPolarHBondContact O-CA 3.44Å; D448-C452 WeakPolarHBondContact O-CB 3.2Å; D448-C452 PolarHBondContact O-N 2.88Å; D448-C452 PolarHBondContact OD1-SG 2.93Å |
| 449 | V | 73.3 | Confident | 71.2 | Confident | 125 Ų | 125 | 111.8 Ų | 111.8 | 76% | 0.758 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -37 | 177.9 | 170.6 | 0 | 0 | 0 | 0 | 112.2 | K445 F447 | K445-V449 VanDerWaalsContact O-CG2 3.24Å; K445-V449 WeakPolarHBondContact O-CG2 3.49Å; K445-V449 PolarHBondContact O-N 3.21Å; F447-V449 VanDerWaalsContact C-N 3.32Å; F447-V449 PolarHBondContact O-N 2.88Å |
| 450 | T | 75.5 | Confident | 71.8 | Confident | 100 Ų | 100 | 119.4 Ų | 119.4 | 61% | 0.613 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -86 | -31.3 | -176.1 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | S446 F447 D448 | S446-T450 WeakPolarHBondContact O-CB 3.2Å; S446-T450 WeakPolarHBondContact O-CG2 3.39Å; S446-T450 PolarHBondContact O-N 2.71Å; S446-T450 VanDerWaalsContact O-N 3.09Å; S446-T450 PolarHBondContact O-OG1 3.13Å; F447-T450 PolarHBondContact O-N 2.72Å; F447-T450 PolarHBondContact O-OG1 3.19Å; D448-T450 VanDerWaalsContact C-N 3.35Å; D448-T450 PolarHBondContact O-N 2.85Å |
| 451 | Q | 68.4 | Low | 72.2 | Confident | 130 Ų | 130 | 119.6 Ų | 119.6 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -114.7 | -27.3 | -170.4 | -57.4 | -62 | -28.5 | 0 | 0 | 113.8 | F447 | F447-Q451 HydrophobicContact CD1-CB 4.29Å; F447-Q451 HydrophobicContact CD1-CG 4.42Å; F447-Q451 HydrophobicContact CD2-CG 3.79Å; F447-Q451 HydrophobicContact CE1-CB 4Å; F447-Q451 HydrophobicContact CE1-CG 4.23Å; F447-Q451 HydrophobicContact CE2-CB 4.26Å; F447-Q451 HydrophobicContact CE2-CG 3.58Å; F447-Q451 HydrophobicContact CG-CG 4.22Å; F447-Q451 HydrophobicContact CZ-CB 3.99Å; F447-Q451 HydrophobicContact CZ-CG 3.81Å; F447-Q451 VanDerWaalsContact O-CB 3.28Å; F447-Q451 WeakPolarHBondContact O-CB 3.43Å; F447-Q451 PolarHBondContact O-N 2.94Å |
| 452 | C | 59.7 | Low | 72.8 | Confident | 67 Ų | 67 | 118.1 Ų | 118.1 | 45% | 0.453 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -85.7 | 136.4 | -177.2 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | D448 R454 | D448-C452 HydrophobicContact CB-CB 4.45Å; D448-C452 WeakPolarHBondContact O-CA 3.44Å; D448-C452 WeakPolarHBondContact O-CB 3.2Å; D448-C452 PolarHBondContact O-N 2.88Å; D448-C452 PolarHBondContact OD1-SG 2.93Å; C452-R454 PolarHBondContact O-N 2.95Å |
| 453 | K | 53.4 | Low | 72.9 | Confident | 206 Ų | 206 | 119.3 Ų | 119.3 | 90% | 0.896 | 62% | 0.62 | S | S | * | * | trans | -48.3 | 122.8 | -176.7 | -62.4 | 175.6 | -178.1 | 177.5 | 0 | 109.8 | T455 | K453-T455 PolarHBondContact O-N 2.89Š| ||
| 454 | R | 55.9 | Low | 73.3 | Confident | 238 Ų | 238 | 112.7 Ų | 112.7 | 90% | 0.898 | 60% | 0.598 | S | S | * | * | trans | -30.4 | 125.1 | 179 | -66.3 | -177.2 | 176.7 | 165.8 | -1 | 111.3 | C452 P456 | C452-R454 PolarHBondContact O-N 2.95Å; R454-P456 VanDerWaalsContact O-N 3.14Å | ||
| 455 | T | 63 | Low | 73.6 | Confident | 130 Ų | 130 | 117.9 Ų | 117.9 | 80% | 0.798 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 123.9 | 171.2 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | K453 A457 | K453-T455 PolarHBondContact O-N 2.89Å; T455-A457 PolarHBondContact O-N 3.48Å |
| 456 | P | 65.1 | Low | 73.7 | Confident | 107 Ų | 107 | 118.1 Ų | 118.1 | 70% | 0.695 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 133.4 | -177 | 19.7 | -29 | 0 | 0 | 0 | 109 | R454 | R454-P456 VanDerWaalsContact O-N 3.14Š|
| 457 | A | 72.2 | Confident | 73.9 | Confident | 93 Ų | 93 | 123.2 Ų | 123.2 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -55 | 141.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T455 P459 | T455-A457 PolarHBondContact O-N 3.48Å; A457-P459 WeakPolarHBondContact O-CD 3.45Å |
| 458 | I | 79.6 | Confident | 73.9 | Confident | 109 Ų | 109 | 125.1 Ų | 125.1 | 56% | 0.559 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -59 | 126.5 | 177 | -60.3 | 168.7 | 0 | 0 | 0 | 108.3 | R460 R465 | I458-R460 PolarHBondContact O-N 3.31Å; I458-R465 HydrophobicContact CG2-CG 4Å |
| 459 | P | 80.2 | Confident | 73.6 | Confident | 49 Ų | 49 | 126 Ų | 126 | 32% | 0.318 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 129.8 | 177.1 | -26.3 | 34.5 | 0 | 0 | 0 | 111.3 | A457 T461 | A457-P459 WeakPolarHBondContact O-CD 3.45Å; P459-T461 VanDerWaalsContact C-N 3.32Å; P459-T461 PolarHBondContact O-N 3.26Å |
| 460 | R | 84.3 | Confident | 73.5 | Confident | 237 Ų | 237 | 123.8 Ų | 123.8 | 89% | 0.894 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -67.1 | -35.1 | -177.8 | -72 | -176.5 | 166.3 | 160.3 | -3.8 | 112 | I458 R465 | I458-R460 PolarHBondContact O-N 3.31Å; R460-R465 PolarHBondContact O-NH2 3.45Å |
| 461 | T | 85.6 | Confident | 73.1 | Confident | 95 Ų | 95 | 128.8 Ų | 128.8 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -74.3 | 141.5 | -179.3 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | P459 E463 G464 R465 | P459-T461 VanDerWaalsContact C-N 3.32Å; P459-T461 PolarHBondContact O-N 3.26Å; T461-E463 VanDerWaalsContact C-N 3.32Å; T461-E463 HydrophobicContact CG2-CB 4.4Å; T461-E463 PolarHBondContact O-N 3.19Å; T461-G464 PolarHBondContact O-N 2.94Å; T461-R465 PolarHBondContact O-N 3.49Å; T461-R465 VanDerWaalsContact O-N 3.15Å |
| 462 | I | 84.7 | Confident | 72.8 | Confident | 123 Ų | 123 | 127.2 Ų | 127.2 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58.2 | -44 | 178.1 | -62.8 | 168.4 | 0 | 0 | 0 | 111 | G464 R465 Q466 | I462-G464 VanDerWaalsContact C-N 3.34Å; I462-G464 PolarHBondContact O-N 2.91Å; I462-R465 WeakPolarHBondContact O-CB 3.11Å; I462-R465 PolarHBondContact O-N 3.36Å; I462-R465 VanDerWaalsContact O-N 3.16Å; I462-Q466 PolarHBondContact O-N 3.24Å; I462-Q466 VanDerWaalsContact O-N 3.1Å |
| 463 | E | 81.1 | Confident | 72.4 | Confident | 103 Ų | 103 | 130.1 Ų | 130.1 | 48% | 0.481 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -62.8 | -39.3 | 178.2 | -171 | 178.3 | -168.2 | 0 | 0 | 112.5 | T461 R465 Q466 R467 | T461-E463 VanDerWaalsContact C-N 3.32Å; T461-E463 HydrophobicContact CG2-CB 4.4Å; T461-E463 PolarHBondContact O-N 3.19Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.07Å; E463-Q466 PolarHBondContact O-N 3.24Å; E463-R467 WeakPolarHBondContact O-CG 3.4Å; E463-R467 PolarHBondContact O-N 3.32Å; E463-R467 IonicContact OE1-CZ 3.62Å; E463-R467 IonicContact OE1-NE 3.95Å; E463-R467 PolarHBondContact OE1-NE 2.95Å; E463-R467 IonicContact OE1-NH2 3.42Å; E463-R467 PolarHBondContact OE1-NH2 3.27Å |
| 464 | G | 82.2 | Confident | 72.2 | Confident | 25 Ų | 25 | 126.9 Ų | 126.9 | 26% | 0.258 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.8 | -33.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T461 I462 R468 | T461-G464 PolarHBondContact O-N 2.94Å; I462-G464 VanDerWaalsContact C-N 3.34Å; I462-G464 PolarHBondContact O-N 2.91Å; G464-R468 PolarHBondContact O-N 3.39Å |
| 465 | R | 83.2 | Confident | 71.9 | Confident | 146 Ų | 146 | 119.4 Ų | 119.4 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.8 | -40.7 | 172.7 | -84.5 | -174.3 | -105.9 | -178.9 | -2.3 | 112.3 | I458 R460 T461 I462 E463 R468 | I458-R465 HydrophobicContact CG2-CG 4Å; R460-R465 PolarHBondContact O-NH2 3.45Å; T461-R465 PolarHBondContact O-N 3.49Å; T461-R465 VanDerWaalsContact O-N 3.15Å; I462-R465 WeakPolarHBondContact O-CB 3.11Å; I462-R465 PolarHBondContact O-N 3.36Å; I462-R465 VanDerWaalsContact O-N 3.16Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.07Å; R465-R468 WeakPolarHBondContact O-CB 3.03Å; R465-R468 PolarHBondContact O-N 3.07Å |
| 466 | Q | 79.1 | Confident | 71 | Confident | 144 Ų | 144 | 122.2 Ų | 122.2 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.6 | -38.7 | 177.3 | -70.2 | 179.8 | -1.3 | 0 | 0 | 112.1 | I462 E463 R468 | I462-Q466 PolarHBondContact O-N 3.24Å; I462-Q466 VanDerWaalsContact O-N 3.1Å; E463-Q466 PolarHBondContact O-N 3.24Å; Q466-R468 VanDerWaalsContact C-N 3.34Å; Q466-R468 PolarHBondContact O-N 3.39Å |
| 467 | R | 77.2 | Confident | 70.6 | Confident | 162 Ų | 162 | 127.5 Ų | 127.5 | 61% | 0.611 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.5 | -10 | -178.1 | -65.8 | -177.7 | -175.4 | -156.8 | 2.5 | 114.9 | E463 N469 C470 | E463-R467 WeakPolarHBondContact O-CG 3.4Å; E463-R467 PolarHBondContact O-N 3.32Å; E463-R467 IonicContact OE1-CZ 3.62Å; E463-R467 IonicContact OE1-NE 3.95Å; E463-R467 PolarHBondContact OE1-NE 2.95Å; E463-R467 IonicContact OE1-NH2 3.42Å; E463-R467 PolarHBondContact OE1-NH2 3.27Å; R467-N469 PolarHBondContact O-N 3.38Å; R467-C470 PolarHBondContact O-N 3.44Å |
| 468 | R | 73.7 | Confident | 69.8 | Low | 149 Ų | 149 | 131.9 Ų | 131.9 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -31.6 | -173 | -171.7 | -179 | 178.3 | -163.1 | -0.7 | 113.5 | G464 R465 Q466 | G464-R468 PolarHBondContact O-N 3.39Å; R465-R468 WeakPolarHBondContact O-CB 3.03Å; R465-R468 PolarHBondContact O-N 3.07Å; Q466-R468 VanDerWaalsContact C-N 3.34Å; Q466-R468 PolarHBondContact O-N 3.39Å |
| 469 | N | 69.3 | Low | 67.8 | Low | 109 Ų | 109 | 130 Ų | 130 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -0.2 | -177.9 | -61.4 | -8.7 | 0 | 0 | 0 | 113.5 | R467 F471 S472 N473 | R467-N469 PolarHBondContact O-N 3.38Å; N469-F471 PolarHBondContact O-N 3.29Å; N469-S472 PolarHBondContact O-N 3.32Å; N469-S472 VanDerWaalsContact O-N 3.16Å; N469-N473 PolarHBondContact O-N 3.36Å |
| 470 | C | 70 | Confident | 66 | Low | 78 Ų | 78 | 138.8 Ų | 138.8 | 53% | 0.527 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -27.2 | -175.4 | -70.7 | 0 | 0 | 0 | 0 | 113.1 | R467 S472 N473 | R467-C470 PolarHBondContact O-N 3.44Å; C470-S472 PolarHBondContact O-N 2.94Å; C470-N473 PolarHBondContact O-N 3.49Å |
| 471 | F | 67.8 | Low | 63.4 | Low | 205 Ų | 205 | 134.3 Ų | 134.3 | 90% | 0.899 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -24.1 | 177.7 | -170.3 | -100.2 | 0 | 0 | 0 | 112.8 | N469 | N469-F471 PolarHBondContact O-N 3.29Š|
| 472 | S | 62.3 | Low | 60.9 | Low | 97 Ų | 97 | 139.5 Ų | 139.5 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -10.9 | -178.6 | -59.6 | 0 | 0 | 0 | 0 | 114.1 | N469 C470 T474 | N469-S472 PolarHBondContact O-N 3.32Å; N469-S472 VanDerWaalsContact O-N 3.16Å; C470-S472 PolarHBondContact O-N 2.94Å; S472-T474 PolarHBondContact O-N 2.81Å |
| 473 | N | 51.8 | Low | 58.3 | Low | 128 Ų | 128 | 141.6 Ų | 141.6 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | trans | -92.7 | 97.5 | 176.4 | -78.3 | -7.2 | 0 | 0 | 0 | 110 | N469 C470 A475 | N469-N473 PolarHBondContact O-N 3.36Å; C470-N473 PolarHBondContact O-N 3.49Å; N473-A475 PolarHBondContact O-N 2.87Å | ||
| 474 | T | 47.4 | Very low | 56.3 | Low | 138 Ų | 138 | 144.7 Ų | 144.7 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | -67.3 | 94.7 | 165.3 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | S472 E476 | S472-T474 PolarHBondContact O-N 2.81Å; T474-E476 PolarHBondContact O-N 3.41Å | ||
| 475 | A | 49.7 | Very low | 53.9 | Low | 81 Ų | 81 | 146.9 Ų | 146.9 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | -59.5 | 132.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | N473 R477 | N473-A475 PolarHBondContact O-N 2.87Å; A475-R477 PolarHBondContact O-N 2.9Å | ||
| 476 | E | 45.7 | Very low | 51.5 | Low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -58.6 | 105.2 | 175.7 | -73.1 | -175.2 | 163.7 | 0 | 0 | 109.6 | T474 F478 | T474-E476 PolarHBondContact O-N 3.41Å; E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.31Å | ||
| 477 | R | 55.5 | Low | 49.4 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | trans | -85 | -0.9 | -169.2 | -144.5 | 179 | -80.6 | -103.5 | 4.5 | 114 | A475 | A475-R477 PolarHBondContact O-N 2.9Š| ||
| 478 | F | 55.2 | Low | 47.4 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -138.3 | 91.3 | -177.6 | -58.3 | -73 | 0 | 0 | 0 | 110.5 | E476 | E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.31Å | ||
| 479 | G | 37.5 | Very low | 46.5 | Very low | 69 Ų | 69 | 144.6 Ų | 144.6 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -63.2 | 138.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H481 | G479-H481 PolarHBondContact O-N 2.93Š| ||
| 480 | R | 41.9 | Very low | 45.6 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -71 | 39.6 | -175.3 | -71.8 | -121.8 | -66.6 | -139.8 | -2.3 | 115.5 | ||
| 481 | H | 30 | Very low | 44.2 | Very low | 143 Ų | 143 | 150.6 Ų | 150.6 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -152.4 | 91.1 | 173.4 | -90.5 | -81.9 | 0 | 0 | 0 | 111.5 | G479 | G479-H481 PolarHBondContact O-N 2.93Š| ||
| 482 | F | 33.3 | Very low | 42.7 | Very low | 203 Ų | 203 | 146.5 Ų | 146.5 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -139.9 | 100.7 | 147.2 | -86.1 | -74.2 | 0 | 0 | 0 | 108.4 | ||||
| 483 | E | 30.7 | Very low | 41.2 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -84 | 97.1 | 169.8 | -66.7 | 173.8 | 171.8 | 0 | 0 | 108.3 | ||||
| 484 | L | 38.2 | Very low | 40.8 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -145.6 | 90.6 | 162.8 | -71.7 | 173.4 | 0 | 0 | 0 | 104.7 | ||||
| 485 | G | 31.7 | Very low | 40.4 | Very low | 70 Ų | 70 | 148 Ų | 148 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | 137.1 | 161.7 | 82.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 486 | P | 34.4 | Very low | 39.7 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 158.1 | -151.2 | 2.3 | 13.8 | 0 | 0 | 0 | 115.4 | ||
| 487 | K | 35.1 | Very low | 39.1 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 127.2 | -179.2 | -65.3 | 164.7 | 174.9 | 169.1 | 0 | 112 | ||
| 488 | D | 34.3 | Very low | 38.4 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 125.8 | 150.8 | -93 | -32.8 | 0 | 0 | 0 | 109.7 | ||
| 489 | P | 54.2 | Low | 37.3 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -9.3 | -178.2 | 28.6 | -32.2 | 0 | 0 | 0 | 115.6 | ||
| 490 | D | 51.2 | Low | 37.5 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 6.4 | -171.4 | -81.4 | -10.4 | 0 | 0 | 0 | 116 | ||
| 491 | M | 40 | Very low | 37.3 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | -119.5 | 97.4 | 176.4 | -165.8 | 159.8 | 65.4 | 0 | 0 | 112.3 | G493 | M491-G493 VanDerWaalsContact C-N 3.25Å; M491-G493 PolarHBondContact O-N 2.91Å | ||
| 492 | P | 36.7 | Very low | 37.9 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -78.4 | 74.5 | 176.7 | 32.2 | -32.6 | 0 | 0 | 0 | 110.5 | ||||
| 493 | G | 31.9 | Very low | 37.9 | Very low | 39 Ų | 39 | 126.6 Ų | 126.6 | 40% | 0.402 | 68% | 0.677 | S | S | . | * | trans | -83.5 | 156.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M491 Q495 Y496 | M491-G493 VanDerWaalsContact C-N 3.25Å; M491-G493 PolarHBondContact O-N 2.91Å; G493-Q495 PolarHBondContact O-N 3.2Å; G493-Y496 WeakPolarHBondContact O-CD2 3Å; G493-Y496 PolarHBondContact O-N 3.03Å | ||
| 494 | K | 42.9 | Very low | 38.4 | Very low | 211 Ų | 211 | 124.3 Ų | 124.3 | 92% | 0.917 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 9.3 | -168 | -63.8 | -171.7 | 177.9 | -169.2 | 0 | 118.3 | ||
| 495 | Q | 39.1 | Very low | 38.4 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -5.4 | 174 | -69.1 | -95.6 | -18.3 | 0 | 0 | 113.4 | G493 F497 S498 | G493-Q495 PolarHBondContact O-N 3.2Å; Q495-F497 VanDerWaalsContact C-N 3.31Å; Q495-F497 PolarHBondContact O-N 3.12Å; Q495-S498 PolarHBondContact O-N 3.41Å; Q495-S498 PolarHBondContact O-OG 2.75Å |
| 496 | Y | 33.5 | Very low | 38.6 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 49% | 0.494 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.7 | -20.3 | 176.9 | -85.1 | -90.3 | 0 | 0 | 0 | 114.5 | G493 I500 | G493-Y496 WeakPolarHBondContact O-CD2 3Å; G493-Y496 PolarHBondContact O-N 3.03Å; Y496-I500 WeakPolarHBondContact O-CG1 3.45Å |
| 497 | F | 34.6 | Very low | 38.6 | Very low | 161 Ų | 161 | 119.9 Ų | 119.9 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -77.4 | -32.1 | 175.8 | -80.1 | -82.4 | 0 | 0 | 0 | 113 | Q495 C501 | Q495-F497 VanDerWaalsContact C-N 3.31Å; Q495-F497 PolarHBondContact O-N 3.12Å; F497-C501 PolarHBondContact O-N 2.59Å; F497-C501 PolarHBondContact O-SG 2.95Å |
| 498 | S | 39.5 | Very low | 38.7 | Very low | 65 Ų | 65 | 117.6 Ų | 117.6 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.9 | -31.3 | -178.9 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | Q495 C501 S502 | Q495-S498 PolarHBondContact O-N 3.41Å; Q495-S498 PolarHBondContact O-OG 2.75Å; S498-C501 PolarHBondContact O-N 3.17Å; S498-S502 WeakPolarHBondContact O-CB 3.46Å; S498-S502 PolarHBondContact O-N 2.94Å |
| 499 | K | 33.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 55% | 0.548 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.1 | -33.3 | 176.1 | -74.1 | -178 | -178.8 | 170.6 | 0 | 112.7 | K503 | K499-K503 WeakPolarHBondContact O-CB 3.48Å; K499-K503 PolarHBondContact O-N 3.12Å |
| 500 | I | 39.9 | Very low | 37.6 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 52% | 0.518 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.8 | -44.1 | 174.1 | -66.6 | 169.1 | 0 | 0 | 0 | 109.8 | Y496 L504 | Y496-I500 WeakPolarHBondContact O-CG1 3.45Å; I500-L504 HydrophobicContact CG2-CD1 3.98Å; I500-L504 WeakPolarHBondContact O-CB 3.04Å; I500-L504 PolarHBondContact O-N 2.94Å; I500-L504 VanDerWaalsContact O-N 3.13Å |
| 501 | C | 38.9 | Very low | 36.3 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 50% | 0.5 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -45.6 | 176.4 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | F497 S498 K503 I505 | F497-C501 PolarHBondContact O-N 2.59Å; F497-C501 PolarHBondContact O-SG 2.95Å; S498-C501 PolarHBondContact O-N 3.17Å; C501-K503 PolarHBondContact O-N 3.03Å; C501-I505 WeakPolarHBondContact O-CB 3.31Å; C501-I505 VanDerWaalsContact O-CD1 3.27Å; C501-I505 WeakPolarHBondContact O-CD1 3.42Å; C501-I505 WeakPolarHBondContact O-CG1 3.49Å; C501-I505 PolarHBondContact O-N 2.81Å; C501-I505 VanDerWaalsContact O-N 3.11Å |
| 502 | S | 41.9 | Very low | 35.7 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.8 | -34 | -178.8 | 174.4 | 0 | 0 | 0 | 0 | 113.4 | S498 I505 S506 | S498-S502 WeakPolarHBondContact O-CB 3.46Å; S498-S502 PolarHBondContact O-N 2.94Å; S502-I505 PolarHBondContact O-N 3.28Å; S502-S506 WeakPolarHBondContact O-CB 3.18Å; S502-S506 PolarHBondContact O-N 3.44Å; S502-S506 PolarHBondContact O-OG 2.6Å |
| 503 | K | 33.7 | Very low | 35.3 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 64% | 0.635 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.2 | -31.3 | -178.4 | -148.6 | 174.3 | -169.1 | -174.4 | 0 | 112.4 | K499 C501 N507 | K499-K503 WeakPolarHBondContact O-CB 3.48Å; K499-K503 PolarHBondContact O-N 3.12Å; C501-K503 PolarHBondContact O-N 3.03Å; K503-N507 WeakPolarHBondContact O-CB 3.18Å; K503-N507 PolarHBondContact O-N 3Å |
| 504 | L | 40.3 | Very low | 35 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 63% | 0.628 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.1 | -38.5 | 168.6 | -83.5 | 163.1 | 0 | 0 | 0 | 111.4 | I500 V508 | I500-L504 HydrophobicContact CG2-CD1 3.98Å; I500-L504 WeakPolarHBondContact O-CB 3.04Å; I500-L504 PolarHBondContact O-N 2.94Å; I500-L504 VanDerWaalsContact O-N 3.13Å; L504-V508 WeakPolarHBondContact O-CG2 3.06Å |
| 505 | I | 38.9 | Very low | 33.9 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.6 | -37.2 | 179.1 | -63.9 | 164.1 | 0 | 0 | 0 | 111.5 | C501 S502 L509 | C501-I505 WeakPolarHBondContact O-CB 3.31Å; C501-I505 VanDerWaalsContact O-CD1 3.27Å; C501-I505 WeakPolarHBondContact O-CD1 3.42Å; C501-I505 WeakPolarHBondContact O-CG1 3.49Å; C501-I505 PolarHBondContact O-N 2.81Å; C501-I505 VanDerWaalsContact O-N 3.11Å; S502-I505 PolarHBondContact O-N 3.28Å; I505-L509 HydrophobicContact CG2-CD1 4.32Å; I505-L509 PolarHBondContact O-N 3.46Å |
| 506 | S | 35.4 | Very low | 33.3 | Very low | 55 Ų | 55 | 122.7 Ų | 122.7 | 39% | 0.385 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -75.8 | -33.2 | -178.2 | 73.9 | 0 | 0 | 0 | 0 | 114 | S502 V508 L509 F510 | S502-S506 WeakPolarHBondContact O-CB 3.18Å; S502-S506 PolarHBondContact O-N 3.44Å; S502-S506 PolarHBondContact O-OG 2.6Å; S506-V508 PolarHBondContact O-N 2.92Å; S506-L509 PolarHBondContact O-N 3.42Å; S506-F510 PolarHBondContact O-N 2.91Å |
| 507 | N | 34.7 | Very low | 32.8 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72 | -20.1 | 177.7 | -75.8 | -0.7 | 0 | 0 | 0 | 112.6 | K503 | K503-N507 WeakPolarHBondContact O-CB 3.18Å; K503-N507 PolarHBondContact O-N 3Å |
| 508 | V | 37.9 | Very low | 32.4 | Very low | 121 Ų | 121 | 122 Ų | 122 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84 | -27.3 | 175.1 | 176 | 0 | 0 | 0 | 0 | 111.8 | L504 S506 | L504-V508 WeakPolarHBondContact O-CG2 3.06Å; S506-V508 PolarHBondContact O-N 2.92Å |
| 509 | L | 38.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 128 Ų | 128 | 63% | 0.634 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -100.3 | -8.4 | -171.3 | -99.6 | 133.2 | 0 | 0 | 0 | 116.5 | I505 S506 | I505-L509 HydrophobicContact CG2-CD1 4.32Å; I505-L509 PolarHBondContact O-N 3.46Å; S506-L509 PolarHBondContact O-N 3.42Å |
| 510 | F | 26.7 | Very low | 31.2 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 75% | 0.75 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -141.8 | 76 | 173.1 | -72.7 | -80.2 | 0 | 0 | 0 | 113.8 | S506 | S506-F510 PolarHBondContact O-N 2.91Š|
| 511 | S | 24.1 | Very low | 30.6 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | -161.2 | 121.1 | 129.6 | 58.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 512 | K | 26.8 | Very low | 30.1 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | trans | -51.3 | 149.7 | 158.8 | -73.2 | -180 | 178 | 178.1 | 0 | 109.5 | Q514 | K512-Q514 PolarHBondContact O-N 3.02Š| ||
| 513 | P | 28.8 | Very low | 29.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | -73 | 125.8 | -165.1 | 29.7 | -34.4 | 0 | 0 | 0 | 111.4 | ||||
| 514 | Q | 25 | Very low | 29.3 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -145 | 114.6 | 146.9 | -96.1 | -71.9 | -13.1 | 0 | 0 | 108.5 | K512 | K512-Q514 PolarHBondContact O-N 3.02Š| ||
| 515 | L | 21.4 | Very low | 28.8 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -26.1 | 127.6 | 172.4 | -146.1 | 76.6 | 0 | 0 | 0 | 116.8 | ||||
| 516 | S | 24.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | -168.7 | 143.7 | 129.2 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 517 | V | 23 | Very low | 28.9 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -93.3 | 128.8 | -168.3 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 518 | V | 27.6 | Very low | 29.4 | Very low | 146 Ų | 146 | 146 Ų | 146 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -137.8 | 146.1 | 155.4 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 519 | K | 22.9 | Very low | 29.4 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -77.2 | 160.8 | -150.5 | -69.2 | 167.1 | 173.5 | 173.6 | 0 | 115.8 | ||||
| 520 | T | 24.7 | Very low | 29.7 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -55 | 142.2 | 174.7 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 521 | D | 28 | Very low | 30.7 | Very low | 169 Ų | 169 | 142 Ų | 142 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | -131.5 | 146.7 | 142 | -90.9 | -35.7 | 0 | 0 | 0 | 111 | ||||
| 522 | K | 26.5 | Very low | 31.4 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -90.1 | 152.3 | -159.1 | -63.7 | 166 | 178.1 | 171.5 | 0 | 111.6 | ||||
| 523 | Q | 25.7 | Very low | 32.1 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | 87.4 | 89.3 | 160.1 | -48.7 | -157.7 | 22.9 | 0 | 0 | 118.1 | ||||
| 524 | L | 33.5 | Very low | 32.7 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 95% | 0.948 | 73% | 0.728 | S | S | * | * | -153.6 | 101.1 | 115.7 | -134.8 | 90 | 0 | 0 | 0 | 108.3 | |||||
| 525 | K | 29.9 | Very low | 33.3 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -93.9 | 109.5 | 176.8 | -69.1 | 172.3 | 174.7 | 178.8 | 0 | 107.8 | ||||
| 526 | S | 36.7 | Very low | 34 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 52% | 0.517 | 70% | 0.7 | S | S | . | * | trans | 158.3 | 81.9 | 142.7 | 61 | 0 | 0 | 0 | 0 | 110.1 | T528 | S526-T528 PolarHBondContact O-N 3.32Š| ||
| 527 | S | 40.3 | Very low | 34.7 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -11.6 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 113.8 | D529 | S527-D529 PolarHBondContact O-N 3.07Š|
| 528 | T | 44.2 | Very low | 35.4 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 59% | 0.589 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.6 | -30.5 | -175 | 26.1 | 0 | 0 | 0 | 0 | 114.3 | S526 N532 | S526-T528 PolarHBondContact O-N 3.32Å; T528-N532 PolarHBondContact O-ND2 2.88Å |
| 529 | D | 38 | Very low | 35.9 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 58% | 0.578 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.1 | -31.2 | -175.5 | -60.9 | -31.8 | 0 | 0 | 0 | 112.3 | S527 N532 Y533 | S527-D529 PolarHBondContact O-N 3.07Å; D529-N532 PolarHBondContact O-N 3.15Å; D529-Y533 PolarHBondContact O-N 2.93Å |
| 530 | F | 44.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 62% | 0.618 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.7 | -34.7 | -179.1 | -161.5 | -94.3 | 0 | 0 | 0 | 112.5 | N532 Y533 F534 | F530-N532 VanDerWaalsContact C-N 3.35Å; F530-Y533 PolarHBondContact O-N 2.96Å; F530-F534 HydrophobicContact CE1-CD2 4.26Å; F530-F534 PolarHBondContact O-N 3.44Å; F530-F534 VanDerWaalsContact O-N 3.15Å |
| 531 | V | 47 | Very low | 36.9 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 48% | 0.479 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -67.5 | -37.2 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 111 | F534 N535 | V531-F534 PolarHBondContact O-N 3.4Å; V531-N535 PolarHBondContact O-N 3.27Å; V531-N535 VanDerWaalsContact O-N 3.13Å; V531-N535 PolarHBondContact O-ND2 2.56Å |
| 532 | N | 40.4 | Very low | 37.1 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 57% | 0.567 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.2 | -38.4 | 176.9 | -72.4 | -21.9 | 0 | 0 | 0 | 112.3 | T528 D529 F530 N535 Q536 | T528-N532 PolarHBondContact O-ND2 2.88Å; D529-N532 PolarHBondContact O-N 3.15Å; F530-N532 VanDerWaalsContact C-N 3.35Å; N532-N535 PolarHBondContact O-N 2.97Å; N532-Q536 PolarHBondContact O-N 3.18Å |
| 533 | Y | 40.4 | Very low | 37.5 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 55% | 0.549 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -65.3 | -39.7 | 175.4 | -172.7 | -104.9 | 0 | 0 | 0 | 112.1 | D529 F530 N535 Q536 I537 | D529-Y533 PolarHBondContact O-N 2.93Å; F530-Y533 PolarHBondContact O-N 2.96Å; Y533-N535 PolarHBondContact O-N 3.33Å; Y533-Q536 PolarHBondContact O-N 3.35Å; Y533-I537 HydrophobicContact CD1-CD1 4.02Å; Y533-I537 HydrophobicContact CE1-CD1 3.5Å; Y533-I537 HydrophobicContact CE1-CG1 4.47Å; Y533-I537 PolarHBondContact O-N 3.19Å |
| 534 | F | 41.1 | Very low | 37.9 | Very low | 129 Ų | 129 | 124 Ų | 124 | 57% | 0.566 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.5 | -38.4 | 178.8 | -141.5 | -86.1 | 0 | 0 | 0 | 112.4 | F530 V531 Q536 I537 | F530-F534 HydrophobicContact CE1-CD2 4.26Å; F530-F534 PolarHBondContact O-N 3.44Å; F530-F534 VanDerWaalsContact O-N 3.15Å; V531-F534 PolarHBondContact O-N 3.4Å; F534-Q536 VanDerWaalsContact C-N 3.29Å; F534-Q536 PolarHBondContact O-N 3.37Å; F534-I537 PolarHBondContact O-N 3.36Å |
| 535 | N | 37.5 | Very low | 38.2 | Very low | 100 Ų | 100 | 119 Ų | 119 | 54% | 0.535 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.7 | -28.1 | 176.4 | -75 | -30.7 | 0 | 0 | 0 | 113 | V531 N532 Y533 T539 | V531-N535 PolarHBondContact O-N 3.27Å; V531-N535 VanDerWaalsContact O-N 3.13Å; V531-N535 PolarHBondContact O-ND2 2.56Å; N532-N535 PolarHBondContact O-N 2.97Å; Y533-N535 PolarHBondContact O-N 3.33Å; N535-T539 PolarHBondContact O-N 3.5Å; N535-T539 PolarHBondContact O-OG1 3.42Å |
| 536 | Q | 37.9 | Very low | 38.7 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 58% | 0.584 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.5 | -31.4 | 179.1 | -154 | 177.7 | 28 | 0 | 0 | 112.9 | N532 Y533 F534 T539 | N532-Q536 PolarHBondContact O-N 3.18Å; Y533-Q536 PolarHBondContact O-N 3.35Å; F534-Q536 VanDerWaalsContact C-N 3.29Å; F534-Q536 PolarHBondContact O-N 3.37Å; Q536-T539 PolarHBondContact O-OG1 3.39Å |
| 537 | I | 38.2 | Very low | 39 | Very low | 92 Ų | 92 | 115.5 Ų | 115.5 | 47% | 0.472 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -73.5 | -36.1 | 178.1 | -65.2 | 174.1 | 0 | 0 | 0 | 111 | Y533 F534 T539 K540 | Y533-I537 HydrophobicContact CD1-CD1 4.02Å; Y533-I537 HydrophobicContact CE1-CD1 3.5Å; Y533-I537 HydrophobicContact CE1-CG1 4.47Å; Y533-I537 PolarHBondContact O-N 3.19Å; F534-I537 PolarHBondContact O-N 3.36Å; I537-T539 VanDerWaalsContact C-N 3.31Å; I537-T539 PolarHBondContact O-N 3.34Å; I537-K540 PolarHBondContact O-N 3.48Å |
| 538 | V | 38.9 | Very low | 39.3 | Very low | 113 Ų | 113 | 114 Ų | 114 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.7 | -25.1 | -179.8 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 539 | T | 36.3 | Very low | 39.2 | Very low | 114 Ų | 114 | 112 Ų | 112 | 70% | 0.699 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -86.9 | -11.2 | 178 | 25.2 | 0 | 0 | 0 | 0 | 114.7 | N535 Q536 I537 | N535-T539 PolarHBondContact O-N 3.5Å; N535-T539 PolarHBondContact O-OG1 3.42Å; Q536-T539 PolarHBondContact O-OG1 3.39Å; I537-T539 VanDerWaalsContact C-N 3.31Å; I537-T539 PolarHBondContact O-N 3.34Å |
| 540 | K | 35.1 | Very low | 39.1 | Very low | 164 Ų | 164 | 113.7 Ų | 113.7 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -130 | 106.9 | 175.8 | -70.1 | -169.6 | 178.3 | -176.4 | 0 | 110.3 | I537 | I537-K540 PolarHBondContact O-N 3.48Š|
| 541 | Q | 33.9 | Very low | 38.7 | Very low | 171 Ų | 171 | 110 Ų | 110 | 80% | 0.799 | 62% | 0.619 | S | S | * | * | trans | 93.5 | 88.6 | 172.5 | -51.7 | -176.1 | 0.6 | 0 | 0 | 115.1 | L543 | Q541-L543 PolarHBondContact O-N 3.47Š| ||
| 542 | G | 33.1 | Very low | 38.4 | Very low | 78 Ų | 78 | 112.8 Ų | 112.8 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | trans | -65.3 | 110.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 543 | L | 34.7 | Very low | 38.2 | Very low | 161 Ų | 161 | 113.3 Ų | 113.3 | 84% | 0.843 | 64% | 0.638 | S | S | * | * | trans | -115 | 77.7 | 160.5 | -76.2 | 167.2 | 0 | 0 | 0 | 107.5 | Q541 | Q541-L543 PolarHBondContact O-N 3.47Š| ||
| 544 | L | 34.1 | Very low | 38.2 | Very low | 130 Ų | 130 | 115.5 Ų | 115.5 | 68% | 0.681 | 65% | 0.65 | S | S | * | * | trans | -81.3 | 136.7 | 165.4 | -73.3 | 167.5 | 0 | 0 | 0 | 108.4 | V548 | L544-V548 HydrophobicContact CB-CB 4.33Å; L544-V548 HydrophobicContact CD1-CG1 4.11Å; L544-V548 HydrophobicContact CD2-CG1 4.38Å | ||
| 545 | S | 39.3 | Very low | 38.2 | Very low | 76 Ų | 76 | 115.5 Ų | 115.5 | 53% | 0.531 | 66% | 0.661 | S | S | . | * | trans | -45.5 | 143.6 | 170.7 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | T547 V548 | S545-T547 PolarHBondContact O-N 3.13Å; S545-T547 PolarHBondContact OG-OG1 3.22Å; S545-T547 VanDerWaalsContact OG-OG1 3.1Å; S545-V548 PolarHBondContact O-N 3.03Å | ||
| 546 | A | 41.6 | Very low | 38.1 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 69% | 0.686 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -50.9 | -26.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V548 | A546-V548 PolarHBondContact O-N 3Å |
| 547 | T | 42.6 | Very low | 38 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 72% | 0.718 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.3 | -19.9 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | S545 | S545-T547 PolarHBondContact O-N 3.13Å; S545-T547 PolarHBondContact OG-OG1 3.22Å; S545-T547 VanDerWaalsContact OG-OG1 3.1Å |
| 548 | V | 45.6 | Very low | 38 | Very low | 70 Ų | 70 | 120 Ų | 120 | 42% | 0.424 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -93.7 | -20 | 179.4 | -178 | 0 | 0 | 0 | 0 | 111.6 | L544 S545 A546 D550 S551 | L544-V548 HydrophobicContact CB-CB 4.33Å; L544-V548 HydrophobicContact CD1-CG1 4.11Å; L544-V548 HydrophobicContact CD2-CG1 4.38Å; S545-V548 PolarHBondContact O-N 3.03Å; A546-V548 PolarHBondContact O-N 3Å; V548-D550 VanDerWaalsContact C-N 3.28Å; V548-D550 PolarHBondContact O-N 3.47Å; V548-S551 PolarHBondContact O-N 2.75Å; V548-S551 PolarHBondContact O-OG 2.73Å |
| 549 | A | 41.9 | Very low | 38 | Very low | 55 Ų | 55 | 121 Ų | 121 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -64.3 | -29.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 550 | D | 37.7 | Very low | 38.1 | Very low | 144 Ų | 144 | 121.1 Ų | 121.1 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 4.3 | -174.6 | -75.3 | -13.9 | 0 | 0 | 0 | 114.8 | V548 V552 | V548-D550 VanDerWaalsContact C-N 3.28Å; V548-D550 PolarHBondContact O-N 3.47Å; D550-V552 PolarHBondContact O-N 2.98Å |
| 551 | S | 36.4 | Very low | 38 | Very low | 64 Ų | 64 | 120.1 Ų | 120.1 | 45% | 0.448 | 70% | 0.696 | S | S | . | * | trans | -80.4 | 111.2 | 167.9 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | V548 L553 | V548-S551 PolarHBondContact O-N 2.75Å; V548-S551 PolarHBondContact O-OG 2.73Å; S551-L553 PolarHBondContact O-N 3.08Å | ||
| 552 | V | 39.3 | Very low | 37.9 | Very low | 136 Ų | 136 | 119.8 Ų | 119.8 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -67.2 | 59 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | D550 | D550-V552 PolarHBondContact O-N 2.98Š|
| 553 | L | 36.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | trans | -121.8 | 17.9 | 173.7 | -76.1 | 172.9 | 0 | 0 | 0 | 112 | S551 T555 | S551-L553 PolarHBondContact O-N 3.08Å; L553-T555 VanDerWaalsContact C-N 3.3Å; L553-T555 PolarHBondContact O-N 2.84Å | ||
| 554 | K | 40.4 | Very low | 38.3 | Very low | 186 Ų | 186 | 119.9 Ų | 119.9 | 81% | 0.809 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 3.7 | 177.4 | -83 | -173.3 | 178 | 178.8 | 0 | 115.6 | ||
| 555 | T | 41.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | -0.9 | 178.8 | 35.1 | 0 | 0 | 0 | 0 | 115.9 | L553 | L553-T555 VanDerWaalsContact C-N 3.3Å; L553-T555 PolarHBondContact O-N 2.84Å |
| 556 | T | 36.1 | Very low | 38.3 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -0.2 | -176.4 | 58.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 557 | F | 35.1 | Very low | 37.7 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -107.8 | 2.4 | -174.2 | -160.8 | -105 | 0 | 0 | 0 | 117.2 | ||
| 558 | N | 37.8 | Very low | 37.2 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -110.6 | 22.6 | -177.3 | -80.8 | -7.1 | 0 | 0 | 0 | 115.8 | ||
| 559 | V | 40.1 | Very low | 36.4 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -98.9 | -7.1 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 560 | T | 38.7 | Very low | 35.8 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -118.8 | 19.5 | -175.2 | 55 | 0 | 0 | 0 | 0 | 115.9 | ||
| 561 | L | 32.4 | Very low | 35.3 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -121.4 | 99.9 | 167.4 | -68 | 176.7 | 0 | 0 | 0 | 109.3 | N563 | L561-N563 PolarHBondContact O-N 3.01Š| ||
| 562 | D | 32.2 | Very low | 34.9 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -60.2 | 101.5 | 165.9 | -94.3 | -23.7 | 0 | 0 | 0 | 109 | S564 | D562-S564 PolarHBondContact O-N 3Š| ||
| 563 | N | 33.3 | Very low | 34.5 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -80.3 | 95.5 | 164.7 | -104 | -24.8 | 0 | 0 | 0 | 107.8 | L561 H565 | L561-N563 PolarHBondContact O-N 3.01Å; N563-H565 PolarHBondContact O-N 2.98Å | ||
| 564 | S | 41.8 | Very low | 34.3 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 17.4 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | D562 | D562-S564 PolarHBondContact O-N 3Š|
| 565 | H | 39.5 | Very low | 33.9 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | 19.1 | -179.6 | -89.1 | -64 | 0 | 0 | 0 | 116.9 | N563 | N563-H565 PolarHBondContact O-N 2.98Š|
| 566 | S | 34 | Very low | 33.3 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -109.7 | 59.5 | 171.4 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | N568 | S566-N568 PolarHBondContact O-N 3.31Š| ||
| 567 | S | 30 | Very low | 33 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -85.1 | 94.7 | 158.8 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 568 | N | 32.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -138.5 | 94 | 160.4 | -91.1 | -34.2 | 0 | 0 | 0 | 109.9 | S566 | S566-N568 PolarHBondContact O-N 3.31Š| ||
| 569 | K | 28 | Very low | 32.6 | Very low | 194 Ų | 194 | 149 Ų | 149 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -60 | 125 | 165.3 | -64.2 | 172.9 | 174.9 | -179.2 | 0 | 109.4 | ||||
| 570 | W | 29.8 | Very low | 32.2 | Very low | 243 Ų | 243 | 149.8 Ų | 149.8 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | trans | -141.5 | 69.7 | 151.3 | -71.1 | 91.4 | 0 | 0 | 0 | 107.2 | ||||
| 571 | C | 26.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | trans | -113 | 145.6 | 154.1 | -72.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 572 | D | 27 | Very low | 31.9 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | 92.5 | 80.2 | 175.7 | -52.5 | -15.1 | 0 | 0 | 0 | 115.2 | ||||
| 573 | E | 32.1 | Very low | 31.9 | Very low | 193 Ų | 193 | 151.2 Ų | 151.2 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 105.4 | 130.9 | -86 | -171.5 | 167.1 | 0 | 0 | 108.8 | V575 | E573-V575 PolarHBondContact O-N 3.38Š| ||
| 574 | S | 32.8 | Very low | 31.8 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | -61.2 | 117.2 | 171 | 37.4 | 0 | 0 | 0 | 0 | 110.9 | V576 | S574-V576 PolarHBondContact O-N 3.14Š| ||
| 575 | V | 30.9 | Very low | 31.1 | Very low | 132 Ų | 132 | 155.3 Ų | 155.3 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -81 | 91 | 159.4 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | E573 V577 | E573-V575 PolarHBondContact O-N 3.38Å; V575-V577 HydrophobicContact CG1-CG2 3.99Å | ||
| 576 | V | 29.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 70% | 0.703 | 82% | 0.821 | S | S | * | * | trans | -101.8 | 95.9 | 161.9 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | S574 | S574-V576 PolarHBondContact O-N 3.14Š| ||
| 577 | V | 29.8 | Very low | 30.2 | Very low | 130 Ų | 130 | 157.8 Ų | 157.8 | 79% | 0.788 | 83% | 0.831 | S | S | * | * | trans | -87.4 | 106.1 | 161.8 | 177.7 | 0 | 0 | 0 | 0 | 106.5 | V575 | V575-V577 HydrophobicContact CG1-CG2 3.99Š| ||
| 578 | K | 26.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 162.3 Ų | 162.3 | 81% | 0.809 | 84% | 0.839 | S | S | * | * | trans | -108.4 | 133.7 | 160.2 | -117.3 | -177.5 | 179.4 | -178.9 | 0 | 107.3 | ||||
| 579 | I | 37.9 | Very low | 30.1 | Very low | 236 Ų | 236 | 163.5 Ų | 163.5 | 100% | 1.21 | 84% | 0.843 | S | S | * | * | trans | -61.1 | 0 | 162.5 | -63.7 | 172 | 0 | 0 | 0 | 108.6 |
Retrieved 579 of 579 residues in 648.7 ms
(Link to these results)