| 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 | 53.1 | Low | 59.1 | Low | 213 Ų | 213 | 131.8 Ų | 131.8 | 100% | 1.049 | 64% | 0.635 | S | S | * | * | 0 | -65.2 | 0 | -66 | -162.9 | -85.1 | 0 | 0 | 114 | K3 M4 L5 | M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.27Å; M1-M4 WeakPolarHBondContact O-CA 3.26Å; M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.11Å | |||
| 2 | R | 48.9 | Very low | 58.8 | Low | 222 Ų | 222 | 133.2 Ų | 133.2 | 84% | 0.838 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -48.1 | -39.5 | -172.2 | -147.1 | 175.8 | -168.7 | 177.4 | 3 | 115.9 | L5 L6 | R2-L5 PolarHBondContact O-N 2.97Å; R2-L6 PolarHBondContact O-N 3.04Å; R2-L6 VanDerWaalsContact O-N 3.13Å |
| 3 | K | 52.8 | Low | 58 | Low | 185 Ų | 185 | 135.4 Ų | 135.4 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.3 | -34.4 | 174.8 | -68.2 | -169.6 | 176.8 | -173.8 | 0 | 114.5 | M1 F7 | M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.27Å; K3-F7 PolarHBondContact O-N 3.26Å |
| 4 | M | 56.5 | Low | 57.2 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.4 | -41.2 | 172.8 | -85.9 | -69.7 | -171.8 | 0 | 0 | 111.1 | M1 L6 F7 C8 | M1-M4 WeakPolarHBondContact O-CA 3.26Å; M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 2.99Å; M4-L6 VanDerWaalsContact C-N 3.32Å; M4-L6 PolarHBondContact O-N 3.23Å; M4-F7 WeakPolarHBondContact O-CB 3.06Å; M4-F7 PolarHBondContact O-N 2.85Å; M4-F7 VanDerWaalsContact O-N 3.12Å; M4-C8 PolarHBondContact O-N 3.08Å; M4-C8 PolarHBondContact O-SG 3.26Å; M4-C8 VanDerWaalsContact O-SG 3.39Å |
| 5 | L | 61 | Low | 56.7 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 60% | 0.602 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.3 | -43.5 | 175.8 | -158.9 | 96.5 | 0 | 0 | 0 | 111.2 | M1 R2 F7 C8 I9 | M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.11Å; R2-L5 PolarHBondContact O-N 2.97Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.15Å; L5-C8 PolarHBondContact O-N 2.92Å; L5-I9 HydrophobicContact CD2-CD1 3.97Å; L5-I9 HydrophobicContact CG-CD1 4.13Å; L5-I9 WeakPolarHBondContact O-CB 3.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.28Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.44Å |
| 6 | L | 64.4 | Low | 56.1 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 52% | 0.524 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -61.8 | -37.2 | 173.5 | -79.5 | 163.8 | 0 | 0 | 0 | 113 | R2 M4 I9 L10 | R2-L6 PolarHBondContact O-N 3.04Å; R2-L6 VanDerWaalsContact O-N 3.13Å; M4-L6 VanDerWaalsContact C-N 3.32Å; M4-L6 PolarHBondContact O-N 3.23Å; L6-I9 PolarHBondContact O-N 3.45Å; L6-L10 WeakPolarHBondContact O-CB 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 3.19Å |
| 7 | F | 68.2 | Low | 55 | Low | 124 Ų | 124 | 137.8 Ų | 137.8 | 54% | 0.544 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -67.1 | -44.8 | 176.3 | -169.6 | -103.5 | 0 | 0 | 0 | 111.9 | K3 M4 L5 I9 L10 L11 | K3-F7 PolarHBondContact O-N 3.26Å; M4-F7 WeakPolarHBondContact O-CB 3.06Å; M4-F7 PolarHBondContact O-N 2.85Å; M4-F7 VanDerWaalsContact O-N 3.12Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.15Å; F7-I9 VanDerWaalsContact C-N 3.32Å; F7-I9 PolarHBondContact O-N 2.89Å; F7-L10 PolarHBondContact O-N 3.2Å; F7-L11 HydrophobicContact CD1-CD1 3.98Å; F7-L11 HydrophobicContact CE1-CD1 3.74Å; F7-L11 HydrophobicContact CE1-CG 4.42Å; F7-L11 HydrophobicContact CZ-CD1 4.46Å; F7-L11 WeakPolarHBondContact O-CG 3.32Å; F7-L11 PolarHBondContact O-N 3.13Å |
| 8 | C | 56.3 | Low | 54.5 | Low | 69 Ų | 69 | 137.1 Ų | 137.1 | 47% | 0.466 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -63.9 | -35.9 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | M4 L5 L11 L12 | M4-C8 PolarHBondContact O-N 3.08Å; M4-C8 PolarHBondContact O-SG 3.26Å; M4-C8 VanDerWaalsContact O-SG 3.39Å; L5-C8 PolarHBondContact O-N 2.92Å; C8-L11 PolarHBondContact O-N 3.27Å; C8-L12 WeakPolarHBondContact O-CG 3.37Å; C8-L12 PolarHBondContact O-N 2.95Å |
| 9 | I | 68.9 | Low | 53.9 | Low | 72 Ų | 72 | 137 Ų | 137 | 37% | 0.369 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -68.5 | -41.6 | 174.4 | -69.4 | 165 | 0 | 0 | 0 | 110.8 | L5 L6 F7 L11 L12 F13 | L5-I9 HydrophobicContact CD2-CD1 3.97Å; L5-I9 HydrophobicContact CG-CD1 4.13Å; L5-I9 WeakPolarHBondContact O-CB 3.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.28Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.44Å; L6-I9 PolarHBondContact O-N 3.45Å; F7-I9 VanDerWaalsContact C-N 3.32Å; F7-I9 PolarHBondContact O-N 2.89Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.29Å; I9-L12 PolarHBondContact O-N 2.84Å; I9-L12 VanDerWaalsContact O-N 3.1Å; I9-F13 HydrophobicContact CG2-CD2 3.87Å; I9-F13 HydrophobicContact CG2-CE2 4.2Å; I9-F13 WeakPolarHBondContact O-CD2 3.47Å; I9-F13 PolarHBondContact O-N 3.31Å |
| 10 | L | 59.2 | Low | 52.8 | Low | 102 Ų | 102 | 135.5 Ų | 135.5 | 53% | 0.534 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -60.3 | -39.5 | 174.7 | -85.5 | 162.7 | 0 | 0 | 0 | 112.5 | L6 F7 L12 F13 M14 | L6-L10 WeakPolarHBondContact O-CB 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 3.19Å; F7-L10 PolarHBondContact O-N 3.2Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.01Å; L10-F13 PolarHBondContact O-N 3.07Å; L10-M14 WeakPolarHBondContact O-CG 3.27Å; L10-M14 PolarHBondContact O-N 2.97Å |
| 11 | L | 60.8 | Low | 52.4 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 60% | 0.597 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.5 | -30.1 | 174.3 | -70.5 | 171.3 | 0 | 0 | 0 | 113.1 | F7 C8 I9 | F7-L11 HydrophobicContact CD1-CD1 3.98Å; F7-L11 HydrophobicContact CE1-CD1 3.74Å; F7-L11 HydrophobicContact CE1-CG 4.42Å; F7-L11 HydrophobicContact CZ-CD1 4.46Å; F7-L11 WeakPolarHBondContact O-CG 3.32Å; F7-L11 PolarHBondContact O-N 3.13Å; C8-L11 PolarHBondContact O-N 3.27Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.29Å |
| 12 | L | 54.8 | Low | 51.8 | Low | 148 Ų | 148 | 132 Ų | 132 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.7 | -17.2 | 174.1 | -71.1 | 168.4 | 0 | 0 | 0 | 113.5 | C8 I9 L10 | C8-L12 WeakPolarHBondContact O-CG 3.37Å; C8-L12 PolarHBondContact O-N 2.95Å; I9-L12 PolarHBondContact O-N 2.84Å; I9-L12 VanDerWaalsContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.01Å |
| 13 | F | 49.3 | Very low | 51.3 | Low | 162 Ų | 162 | 127.7 Ų | 127.7 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 19.7 | -179.4 | -89.4 | -85.7 | 0 | 0 | 0 | 113.7 | I9 L10 P15 | I9-F13 HydrophobicContact CG2-CD2 3.87Å; I9-F13 HydrophobicContact CG2-CE2 4.2Å; I9-F13 WeakPolarHBondContact O-CD2 3.47Å; I9-F13 PolarHBondContact O-N 3.31Å; L10-F13 PolarHBondContact O-N 3.07Å; F13-P15 VanDerWaalsContact C-CD 3.47Å; F13-P15 WeakPolarHBondContact O-CD 3.23Å |
| 14 | M | 46.9 | Very low | 50.7 | Low | 131 Ų | 131 | 126.7 Ų | 126.7 | 65% | 0.645 | 68% | 0.679 | S | S | * | * | trans | -102.4 | 87.2 | 172.2 | -78.8 | -70.4 | 159.5 | 0 | 0 | 111.8 | L10 | L10-M14 WeakPolarHBondContact O-CG 3.27Å; L10-M14 PolarHBondContact O-N 2.97Å | ||
| 15 | P | 49.3 | Very low | 49.7 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | trans | -65.8 | 165.3 | 151 | 33.6 | -33.7 | 0 | 0 | 0 | 109.2 | F13 | F13-P15 VanDerWaalsContact C-CD 3.47Å; F13-P15 WeakPolarHBondContact O-CD 3.23Å | ||
| 16 | Q | 47.2 | Very low | 48.4 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | trans | 74.1 | 52.8 | -178.2 | -47.4 | -63 | -8.3 | 0 | 0 | 116.4 | ||||
| 17 | F | 38 | Very low | 47.5 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -133.4 | 50.2 | 148.4 | -100.4 | -71 | 0 | 0 | 0 | 112.1 | ||||
| 18 | T | 44.5 | Very low | 46 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | -109.6 | 51.1 | 174.7 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 19 | V | 43 | Very low | 45.2 | Very low | 136 Ų | 136 | 142 Ų | 142 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -146.6 | 103 | 160.9 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 20 | S | 33.4 | Very low | 43.4 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -165.3 | 59.8 | 159.1 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | S22 | S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 3.4Å | ||
| 21 | E | 43.8 | Very low | 42 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -71.8 | 73.6 | 171.7 | -73.2 | -167.3 | 102.4 | 0 | 0 | 111.5 | R29 | E21-R29 IonicContact OE1-NH2 3.77Š| ||
| 22 | S | 41.1 | Very low | 40.9 | Very low | 100 Ų | 100 | 157.2 Ų | 157.2 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -162.6 | 60.9 | 178.1 | 49.8 | 0 | 0 | 0 | 0 | 115.3 | S20 | S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 3.4Å | ||
| 23 | C | 38 | Very low | 39.6 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | trans | -162.6 | 43.7 | 160.5 | -120.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 24 | L | 39.2 | Very low | 38.7 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -114.1 | 138.9 | 167 | -70.3 | 175.7 | 0 | 0 | 0 | 109.6 | ||
| 25 | P | 35.6 | Very low | 38.4 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -66 | 148.7 | -175.5 | 26 | -33.9 | 0 | 0 | 0 | 112.6 | W27 | P25-W27 PolarHBondContact O-N 3.13Š| ||
| 26 | S | 34 | Very low | 37.2 | Very low | 118 Ų | 118 | 156 Ų | 156 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | G | 310 helix | trans | -69.9 | -0.2 | -159.8 | 50 | 0 | 0 | 0 | 0 | 117.3 | F28 | S26-F28 PolarHBondContact O-N 3.03Š|
| 27 | W | 45.9 | Very low | 36.4 | Very low | 241 Ų | 241 | 156 Ų | 156 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | G | 310 helix | trans | -66 | -23.5 | 179.4 | -169 | -81.7 | 0 | 0 | 0 | 113.4 | P25 R29 | P25-W27 PolarHBondContact O-N 3.13Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 2.77Å |
| 28 | F | 36.8 | Very low | 35.9 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -82 | 7.1 | -171.3 | -116.2 | -81.2 | 0 | 0 | 0 | 116 | S26 | S26-F28 PolarHBondContact O-N 3.03Š|
| 29 | R | 40 | Very low | 35.1 | Very low | 200 Ų | 200 | 156.6 Ų | 156.6 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -140.9 | 89.6 | 175.8 | -66.9 | -168.5 | -173.8 | -147.5 | 6.7 | 112.1 | E21 W27 | E21-R29 IonicContact OE1-NH2 3.77Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 2.77Å | ||
| 30 | Q | 31.2 | Very low | 34.3 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -144.8 | 147.2 | 147.5 | -164.1 | 59.2 | 30.8 | 0 | 0 | 108.6 | ||||
| 31 | E | 29.9 | Very low | 34 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -95.5 | 179.7 | -159.7 | -62.5 | -175.2 | 109.2 | 0 | 0 | 115.1 | S33 | E31-S33 PolarHBondContact O-N 3.42Š| ||
| 32 | R | 37 | Very low | 33.3 | Very low | 255 Ų | 255 | 154.7 Ų | 154.7 | 96% | 0.962 | 81% | 0.813 | S | S | * | * | trans | -56.7 | 121.1 | 165.8 | -67.6 | 167 | 166.4 | 162.6 | -7.7 | 110.8 | ||||
| 33 | S | 27.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 156.8 Ų | 156.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -151.3 | 104.2 | 156.9 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | E31 | E31-S33 PolarHBondContact O-N 3.42Š| ||
| 34 | A | 30.8 | Very low | 32.1 | Very low | 94 Ų | 94 | 155.4 Ų | 155.4 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -83.2 | 163.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 35 | P | 40.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -125.5 | -179.8 | 8.7 | 40.5 | -24.7 | 0 | 0 | 0 | 113.3 | ||||
| 36 | E | 24.9 | Very low | 31.4 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | -172.8 | 169.2 | 106 | -95.7 | -159.8 | 123.7 | 0 | 0 | 111.5 | |||||
| 37 | Q | 30.8 | Very low | 31.2 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -90.9 | 150.8 | -177.8 | -59.4 | 175.2 | 2.6 | 0 | 0 | 110.8 | ||||
| 38 | L | 26.9 | Very low | 30.3 | Very low | 177 Ų | 177 | 151.5 Ų | 151.5 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | trans | -138.2 | 112.7 | 149.6 | -115.7 | 169.3 | 0 | 0 | 0 | 109.2 | ||||
| 39 | Q | 28.1 | Very low | 29.8 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 73% | 0.729 | 81% | 0.813 | S | S | * | * | trans | -95 | 125.8 | 175.3 | -66 | 177.8 | -11.2 | 0 | 0 | 109.5 | ||||
| 40 | S | 25.5 | Very low | 29.4 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -174.8 | 131.6 | 148.6 | -89.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 41 | A | 28.2 | Very low | 29.4 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | 59.1 | 131.9 | 64.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 42 | E | 27.4 | Very low | 30.3 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | -148.5 | 172.3 | 33.1 | -159.4 | 165.7 | 136.5 | 0 | 0 | 114.3 | ||||
| 43 | N | 26.4 | Very low | 30.7 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -50.5 | 148.7 | -174 | -46.5 | -63 | 0 | 0 | 0 | 117.6 | ||||
| 44 | A | 28.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -152.7 | 135.1 | 134.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 45 | A | 29.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 135 Ų | 135 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -154.5 | 133 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 46 | E | 29.3 | Very low | 30.5 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -155.3 | 120 | 165.5 | -99.1 | 158.5 | -166.7 | 0 | 0 | 105 | ||||
| 47 | N | 31 | Very low | 30.9 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | 54.1 | 135.8 | 74 | -80.3 | 3.1 | 0 | 0 | 0 | 114.2 | |||||
| 48 | S | 27.8 | Very low | 30.8 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | cis | -166.3 | 161 | -10.1 | -87.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 49 | G | 24.8 | Very low | 31.1 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 179.7 | 135.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 50 | S | 31.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -139.7 | 164.6 | -170.8 | 54 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 51 | V | 31.7 | Very low | 31.6 | Very low | 139 Ų | 139 | 134 Ų | 134 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -142 | 146.5 | -164.3 | 163.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 52 | P | 48.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -130.4 | -146.7 | 45.3 | 34.7 | -9.4 | 0 | 0 | 0 | 111.6 | ||||
| 53 | P | 45.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | cis | -144.4 | 168.1 | 0.2 | 44.1 | -23.7 | 0 | 0 | 0 | 120.8 | ||||
| 54 | D | 29.5 | Very low | 32.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 42 | 127.6 | 139.3 | -52.3 | -13.9 | 0 | 0 | 0 | 125.7 | ||||
| 55 | T | 30.6 | Very low | 33 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -146 | 158.2 | 131.2 | -25.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 56 | S | 33.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -136.3 | -177.7 | 172 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 57 | R | 33.8 | Very low | 33.3 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -165.8 | 160.6 | 22.5 | -166.9 | -168.2 | -172.9 | 109.9 | -3.7 | 109.5 | ||||
| 58 | N | 29.6 | Very low | 33.3 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -164.7 | 164.1 | 139.3 | -103.1 | -8.6 | 0 | 0 | 0 | 112.2 | ||||
| 59 | S | 31.7 | Very low | 33.8 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 57% | 0.566 | 79% | 0.794 | S | S | * | * | trans | -163.9 | 146.3 | -163.4 | 53.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 60 | L | 32.5 | Very low | 34 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 58.8 | 131.8 | 163.4 | -89.8 | 75.9 | 0 | 0 | 0 | 118.5 | ||||
| 61 | E | 32.8 | Very low | 34 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | -150.5 | 154.2 | 103.1 | -119 | 171.9 | -159.2 | 0 | 0 | 110.8 | |||||
| 62 | T | 34.2 | Very low | 33.9 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | trans | -127 | 146.7 | -176.1 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 63 | N | 36.5 | Very low | 33 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -140.4 | 154.3 | 163.8 | -86.9 | -62.3 | 0 | 0 | 0 | 110.7 | ||||
| 64 | E | 34.1 | Very low | 32 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -132 | 131.8 | -157.8 | -173.9 | -179.6 | 160.4 | 0 | 0 | 111.1 | ||||
| 65 | I | 35.3 | Very low | 32.7 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 37 | 129.2 | 155.8 | -59.9 | 169.1 | 0 | 0 | 0 | 119.4 | ||||
| 66 | G | 31.6 | Very low | 32.8 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -137.1 | 130.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 67 | D | 31.9 | Very low | 32.5 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 164.6 | -175.5 | -92.5 | -55.9 | 0 | 0 | 0 | 114.9 | ||
| 68 | A | 31.6 | Very low | 33.3 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 145.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 69 | P | 38.7 | Very low | 33.5 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 126.1 | 175.1 | 30.9 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 70 | S | 29.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -105.3 | 119.1 | 170.4 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 71 | S | 31.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -129.1 | 98.8 | -175.2 | 61 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 72 | T | 28 | Very low | 33.7 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -100.5 | 107.2 | 174.4 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | S | 30 | Very low | 33.9 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -155.4 | 115.3 | 163 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 74 | T | 26.3 | Very low | 34.2 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -90 | -179.1 | 175.4 | -2.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 75 | P | 43.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | -114.8 | 161.3 | -126.8 | 41.4 | -29.4 | 0 | 0 | 0 | 115.2 | |||||
| 76 | E | 32.6 | Very low | 35.1 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -134.6 | 157.4 | 155.3 | -70.1 | -162.3 | 159.1 | 0 | 0 | 111.3 | ||||
| 77 | T | 26.3 | Very low | 36 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -131.3 | -170.7 | -161.8 | -36.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 78 | P | 51.5 | Low | 37 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -95.7 | 175.9 | -90 | 39.6 | -27.5 | 0 | 0 | 0 | 113.9 | |||||
| 79 | T | 32.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -145.3 | 143.6 | 139.7 | -26.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 80 | E | 33.9 | Very low | 39.1 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -72.5 | 156.3 | 172.4 | -58.4 | 161 | 102.1 | 0 | 0 | 111.7 | ||||
| 81 | T | 31.8 | Very low | 40.5 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | -160.1 | 117.4 | 115.3 | -69.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 82 | T | 35.4 | Very low | 41.9 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | -25.2 | 135 | 160.2 | -48.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 83 | I | 39.9 | Very low | 43.5 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | -160.9 | 151.2 | 123.9 | -94.4 | 146.5 | 0 | 0 | 0 | 108.2 | |||||
| 84 | S | 41.4 | Very low | 45.3 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | -112.6 | 117.3 | -166.1 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 85 | E | 43.1 | Very low | 47.4 | Very low | 153 Ų | 153 | 129 Ų | 129 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | trans | -130.4 | 46.3 | 165.1 | -67.7 | -166.9 | 137.5 | 0 | 0 | 111.6 | G87 D88 | E85-G87 PolarHBondContact O-N 3.26Å; E85-D88 PolarHBondContact O-N 2.88Å | ||
| 86 | A | 47.1 | Very low | 48.7 | Very low | 109 Ų | 109 | 127 Ų | 127 | 90% | 0.901 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 80.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 87 | G | 49.8 | Very low | 50.4 | Low | 52 Ų | 52 | 119.8 Ų | 119.8 | 54% | 0.536 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -178.5 | -36.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E85 | E85-G87 PolarHBondContact O-N 3.26Š|
| 88 | D | 52.6 | Low | 52.6 | Low | 112 Ų | 112 | 119.8 Ų | 119.8 | 60% | 0.599 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88 | -29.8 | 174.1 | -96.1 | -43.7 | 0 | 0 | 0 | 112.6 | E85 E90 K91 R92 | E85-D88 PolarHBondContact O-N 2.88Å; D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.31Å; D88-K91 PolarHBondContact O-N 3.48Å; D88-R92 VanDerWaalsContact O-CB 3.23Å; D88-R92 WeakPolarHBondContact O-CB 3.14Å; D88-R92 PolarHBondContact O-N 2.92Å |
| 89 | D | 54.9 | Low | 53.5 | Low | 99 Ų | 99 | 119.2 Ų | 119.2 | 53% | 0.529 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63 | -34.1 | 179.4 | -75.9 | -37.6 | 0 | 0 | 0 | 113.7 | R92 T93 | D89-R92 PolarHBondContact O-N 3.49Å; D89-T93 WeakPolarHBondContact O-CB 3.35Å; D89-T93 WeakPolarHBondContact O-CG2 3.39Å; D89-T93 PolarHBondContact O-N 3.02Å; D89-T93 PolarHBondContact O-OG1 3.47Å |
| 90 | E | 58.8 | Low | 55.2 | Low | 158 Ų | 158 | 117.7 Ų | 117.7 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.9 | -47.9 | 177.8 | -171.6 | 168.1 | -152.7 | 0 | 0 | 110.9 | D88 R92 T93 E94 | D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.31Å; E90-R92 VanDerWaalsContact C-N 3.35Å; E90-R92 PolarHBondContact O-N 3.14Å; E90-T93 PolarHBondContact O-N 3.05Å; E90-T93 PolarHBondContact O-OG1 3.11Å; E90-T93 VanDerWaalsContact O-OG1 3.06Å; E90-E94 WeakPolarHBondContact O-CB 3.28Å; E90-E94 PolarHBondContact O-N 3.42Å |
| 91 | K | 59.4 | Low | 57.1 | Low | 126 Ų | 126 | 115 Ų | 115 | 55% | 0.548 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.6 | -39.4 | 175.2 | -170.3 | -170.6 | 172.1 | -147.7 | 0 | 112 | D88 E94 E95 | D88-K91 PolarHBondContact O-N 3.48Å; K91-E94 PolarHBondContact O-N 3.41Å; K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 PolarHBondContact O-N 2.81Å |
| 92 | R | 60.5 | Low | 59.1 | Low | 168 Ų | 168 | 114 Ų | 114 | 63% | 0.634 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -35.8 | 178.3 | -172.3 | 179.2 | -177.3 | -172.6 | 1.5 | 112.4 | D88 D89 E90 V96 | D88-R92 VanDerWaalsContact O-CB 3.23Å; D88-R92 WeakPolarHBondContact O-CB 3.14Å; D88-R92 PolarHBondContact O-N 2.92Å; D89-R92 PolarHBondContact O-N 3.49Å; E90-R92 VanDerWaalsContact C-N 3.35Å; E90-R92 PolarHBondContact O-N 3.14Å; R92-V96 WeakPolarHBondContact O-CB 3.32Å; R92-V96 VanDerWaalsContact O-CG2 3.29Å; R92-V96 WeakPolarHBondContact O-CG2 3.49Å; R92-V96 PolarHBondContact O-N 3Å |
| 93 | T | 62 | Low | 60.7 | Low | 91 Ų | 91 | 113.8 Ų | 113.8 | 56% | 0.558 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.9 | -32.7 | 174.3 | 47 | 0 | 0 | 0 | 0 | 112.2 | D89 E90 A97 | D89-T93 WeakPolarHBondContact O-CB 3.35Å; D89-T93 WeakPolarHBondContact O-CG2 3.39Å; D89-T93 PolarHBondContact O-N 3.02Å; D89-T93 PolarHBondContact O-OG1 3.47Å; E90-T93 PolarHBondContact O-N 3.05Å; E90-T93 PolarHBondContact O-OG1 3.11Å; E90-T93 VanDerWaalsContact O-OG1 3.06Å; T93-A97 WeakPolarHBondContact O-CB 3.41Å; T93-A97 PolarHBondContact O-N 2.87Å |
| 94 | E | 68.8 | Low | 61.9 | Low | 144 Ų | 144 | 112 Ų | 112 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.6 | -42.2 | 169.7 | -171.9 | 176 | -144.8 | 0 | 0 | 111.8 | E90 K91 A97 K98 | E90-E94 WeakPolarHBondContact O-CB 3.28Å; E90-E94 PolarHBondContact O-N 3.42Å; K91-E94 PolarHBondContact O-N 3.41Å; E94-A97 PolarHBondContact O-N 2.86Å; E94-K98 WeakPolarHBondContact O-CB 3.46Å; E94-K98 PolarHBondContact O-N 2.88Å |
| 95 | E | 69.1 | Low | 63.1 | Low | 129 Ų | 129 | 109.9 Ų | 109.9 | 60% | 0.603 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.2 | -41.6 | 177.6 | -164.7 | 159.6 | -129.2 | 0 | 0 | 112 | K91 K98 E99 | K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 PolarHBondContact O-N 2.81Å; E95-K98 PolarHBondContact O-N 3.21Å; E95-E99 PolarHBondContact O-N 2.9Å |
| 96 | V | 71 | Confident | 64.4 | Low | 68 Ų | 68 | 109.3 Ų | 109.3 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.3 | -37.4 | 173.1 | 169 | 0 | 0 | 0 | 0 | 112.4 | R92 K98 E99 L100 | R92-V96 WeakPolarHBondContact O-CB 3.32Å; R92-V96 VanDerWaalsContact O-CG2 3.29Å; R92-V96 WeakPolarHBondContact O-CG2 3.49Å; R92-V96 PolarHBondContact O-N 3Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 PolarHBondContact O-N 2.68Å; V96-E99 PolarHBondContact O-N 2.86Å; V96-L100 HydrophobicContact CG1-CD1 4.07Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.44Å |
| 97 | A | 68.9 | Low | 65 | Low | 44 Ų | 44 | 110.5 Ų | 110.5 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T93 E94 L100 I101 | T93-A97 WeakPolarHBondContact O-CB 3.41Å; T93-A97 PolarHBondContact O-N 2.87Å; E94-A97 PolarHBondContact O-N 2.86Å; A97-L100 PolarHBondContact O-N 3.43Å; A97-I101 WeakPolarHBondContact O-CD1 3.42Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 2.99Å |
| 98 | K | 72.1 | Confident | 65.5 | Low | 127 Ų | 127 | 114.2 Ų | 114.2 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.6 | -43.6 | 172.5 | -170.4 | -178.7 | 174.1 | -73.2 | 0 | 111.9 | E94 E95 V96 L100 I101 E102 | E94-K98 WeakPolarHBondContact O-CB 3.46Å; E94-K98 PolarHBondContact O-N 2.88Å; E95-K98 PolarHBondContact O-N 3.21Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 PolarHBondContact O-N 2.68Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.34Å; K98-I101 PolarHBondContact O-N 3.5Å; K98-E102 IonicContact NZ-OE2 2.72Å; K98-E102 PolarHBondContact NZ-OE2 3.45Å; K98-E102 VanDerWaalsContact O-CB 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.49Å; K98-E102 PolarHBondContact O-N 2.91Å |
| 99 | E | 71 | Confident | 65.9 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 175.5 | -166.9 | -170.4 | 152.8 | 0 | 0 | 112.1 | E95 V96 K103 | E95-E99 PolarHBondContact O-N 2.9Å; V96-E99 PolarHBondContact O-N 2.86Å; E99-K103 WeakPolarHBondContact O-CB 3.42Å; E99-K103 WeakPolarHBondContact O-CG 3.43Å; E99-K103 PolarHBondContact O-N 3.02Å; E99-K103 VanDerWaalsContact O-N 3.1Å; E99-K103 WeakPolarHBondContact OE1-CE 3.45Å; E99-K103 IonicContact OE1-NZ 3.93Å; E99-K103 PolarHBondContact OE1-NZ 3.41Å |
| 100 | L | 67.7 | Low | 66.2 | Low | 110 Ų | 110 | 112 Ų | 112 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.2 | -47 | 173.8 | -78 | 163.6 | 0 | 0 | 0 | 112 | V96 A97 K98 E102 K103 E104 | V96-L100 HydrophobicContact CG1-CD1 4.07Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.44Å; A97-L100 PolarHBondContact O-N 3.43Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.34Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.49Å; L100-K103 PolarHBondContact O-N 3.5Å; L100-E104 WeakPolarHBondContact O-CB 3.34Å; L100-E104 PolarHBondContact O-N 3.19Å |
| 101 | I | 74.3 | Confident | 66.2 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 56% | 0.559 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -36.8 | 177.8 | -68.6 | 163 | 0 | 0 | 0 | 111.4 | A97 K98 K103 E104 A105 | A97-I101 WeakPolarHBondContact O-CD1 3.42Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 2.99Å; K98-I101 PolarHBondContact O-N 3.5Å; I101-K103 VanDerWaalsContact C-N 3.35Å; I101-E104 PolarHBondContact O-N 2.81Å; I101-A105 WeakPolarHBondContact O-CB 3.28Å; I101-A105 PolarHBondContact O-N 3.26Å |
| 102 | E | 72.6 | Confident | 66.3 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -36.8 | 177.7 | -162.6 | 158 | 172.8 | 0 | 0 | 111 | K98 L100 E106 | K98-E102 IonicContact NZ-OE2 2.72Å; K98-E102 PolarHBondContact NZ-OE2 3.45Å; K98-E102 VanDerWaalsContact O-CB 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.49Å; K98-E102 PolarHBondContact O-N 2.91Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.49Å; E102-E106 WeakPolarHBondContact O-CB 3.44Å; E102-E106 PolarHBondContact O-N 3.26Å |
| 103 | K | 69.8 | Low | 66.3 | Low | 105 Ų | 105 | 109.3 Ų | 109.3 | 46% | 0.457 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.6 | -33.3 | 172.5 | -73.4 | 174 | -175.4 | 171.6 | 0 | 114.2 | E99 L100 I101 A105 E106 Y107 | E99-K103 WeakPolarHBondContact O-CB 3.42Å; E99-K103 WeakPolarHBondContact O-CG 3.43Å; E99-K103 PolarHBondContact O-N 3.02Å; E99-K103 VanDerWaalsContact O-N 3.1Å; E99-K103 WeakPolarHBondContact OE1-CE 3.45Å; E99-K103 IonicContact OE1-NZ 3.93Å; E99-K103 PolarHBondContact OE1-NZ 3.41Å; L100-K103 PolarHBondContact O-N 3.5Å; I101-K103 VanDerWaalsContact C-N 3.35Å; K103-A105 VanDerWaalsContact C-N 3.33Å; K103-E106 PolarHBondContact O-N 2.89Å; K103-Y107 VanDerWaalsContact O-CB 3.27Å; K103-Y107 WeakPolarHBondContact O-CB 3.46Å; K103-Y107 PolarHBondContact O-N 3.05Å |
| 104 | E | 64.1 | Low | 66.3 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 173.9 | -169.3 | 166.6 | -149.1 | 0 | 0 | 109.7 | L100 I101 Y107 E108 | L100-E104 WeakPolarHBondContact O-CB 3.34Å; L100-E104 PolarHBondContact O-N 3.19Å; I101-E104 PolarHBondContact O-N 2.81Å; E104-Y107 PolarHBondContact O-N 3.1Å; E104-E108 WeakPolarHBondContact O-CB 3.46Å; E104-E108 WeakPolarHBondContact O-CG 3.04Å; E104-E108 PolarHBondContact O-N 3.41Å |
| 105 | A | 67.7 | Low | 66.1 | Low | 59 Ų | 59 | 109.6 Ų | 109.6 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.3 | -33.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | I101 K103 G109 | I101-A105 WeakPolarHBondContact O-CB 3.28Å; I101-A105 PolarHBondContact O-N 3.26Å; K103-A105 VanDerWaalsContact C-N 3.33Å; A105-G109 PolarHBondContact O-N 3.44Å |
| 106 | E | 69.9 | Low | 65.8 | Low | 140 Ų | 140 | 107 Ų | 107 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 171.6 | -172.7 | 172 | -149.3 | 0 | 0 | 110.8 | E102 K103 G109 E110 | E102-E106 WeakPolarHBondContact O-CB 3.44Å; E102-E106 PolarHBondContact O-N 3.26Å; K103-E106 PolarHBondContact O-N 2.89Å; E106-G109 PolarHBondContact O-N 3.43Å; E106-E110 PolarHBondContact O-N 3.34Å |
| 107 | Y | 59.3 | Low | 65.6 | Low | 134 Ų | 134 | 109.4 Ų | 109.4 | 53% | 0.525 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.8 | -40 | 179 | -165.6 | -101.2 | 0 | 0 | 0 | 113 | K103 E104 G109 E110 Y111 | K103-Y107 VanDerWaalsContact O-CB 3.27Å; K103-Y107 WeakPolarHBondContact O-CB 3.46Å; K103-Y107 PolarHBondContact O-N 3.05Å; E104-Y107 PolarHBondContact O-N 3.1Å; Y107-G109 VanDerWaalsContact C-N 3.28Å; Y107-G109 PolarHBondContact O-N 3.22Å; Y107-E110 PolarHBondContact O-N 3.37Å; Y107-Y111 HydrophobicContact CD1-CD2 4.09Å; Y107-Y111 HydrophobicContact CD1-CE2 4.12Å; Y107-Y111 AromaticContact CE1-CD2 3.87Å; Y107-Y111 HydrophobicContact CE1-CD2 3.87Å; Y107-Y111 AromaticContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE1-CE2 3.44Å; Y107-Y111 VanDerWaalsContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE2-CE2 4.04Å; Y107-Y111 AromaticContact CZ-CE2 3.4Å; Y107-Y111 VanDerWaalsContact CZ-CE2 3.4Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y107-Y111 PolarHBondContact O-N 3.01Å; Y107-Y111 VanDerWaalsContact O-N 3.09Å; Y107-Y111 WeakPolarHBondContact OH-CE2 3.26Å; Y107-Y111 PolarHBondContact OH-OH 3.17Å |
| 108 | E | 61.4 | Low | 65.4 | Low | 131 Ų | 131 | 114.1 Ų | 114.1 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.1 | -37.1 | 169.7 | -76.4 | -169.8 | 148.5 | 0 | 0 | 111.3 | E104 Y111 E112 | E104-E108 WeakPolarHBondContact O-CB 3.46Å; E104-E108 WeakPolarHBondContact O-CG 3.04Å; E104-E108 PolarHBondContact O-N 3.41Å; E108-Y111 PolarHBondContact O-N 2.88Å; E108-E112 PolarHBondContact O-N 3.34Å |
| 109 | G | 60.2 | Low | 65 | Low | 32 Ų | 32 | 113.3 Ų | 113.3 | 33% | 0.33 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -48.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A105 E106 Y107 Y111 E112 D113 | A105-G109 PolarHBondContact O-N 3.44Å; E106-G109 PolarHBondContact O-N 3.43Å; Y107-G109 VanDerWaalsContact C-N 3.28Å; Y107-G109 PolarHBondContact O-N 3.22Å; G109-Y111 VanDerWaalsContact C-N 3.27Å; G109-Y111 PolarHBondContact O-N 2.95Å; G109-E112 PolarHBondContact O-N 2.78Å; G109-D113 PolarHBondContact O-N 3.12Å |
| 110 | E | 60.8 | Low | 65 | Low | 132 Ų | 132 | 111.8 Ų | 111.8 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.3 | -38.2 | 176.4 | -168.8 | 169.3 | -146.7 | 0 | 0 | 111.4 | E106 Y107 E114 | E106-E110 PolarHBondContact O-N 3.34Å; Y107-E110 PolarHBondContact O-N 3.37Å; E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.01Å |
| 111 | Y | 59.4 | Low | 65.2 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.1 | -34.3 | 174.7 | -94.9 | -99.7 | 0 | 0 | 0 | 114.6 | Y107 E108 G109 K115 | Y107-Y111 HydrophobicContact CD1-CD2 4.09Å; Y107-Y111 HydrophobicContact CD1-CE2 4.12Å; Y107-Y111 AromaticContact CE1-CD2 3.87Å; Y107-Y111 HydrophobicContact CE1-CD2 3.87Å; Y107-Y111 AromaticContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE1-CE2 3.44Å; Y107-Y111 VanDerWaalsContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE2-CE2 4.04Å; Y107-Y111 AromaticContact CZ-CE2 3.4Å; Y107-Y111 VanDerWaalsContact CZ-CE2 3.4Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y107-Y111 PolarHBondContact O-N 3.01Å; Y107-Y111 VanDerWaalsContact O-N 3.09Å; Y107-Y111 WeakPolarHBondContact OH-CE2 3.26Å; Y107-Y111 PolarHBondContact OH-OH 3.17Å; E108-Y111 PolarHBondContact O-N 2.88Å; G109-Y111 VanDerWaalsContact C-N 3.27Å; G109-Y111 PolarHBondContact O-N 2.95Å; Y111-K115 WeakPolarHBondContact O-CB 3.46Å; Y111-K115 PolarHBondContact O-N 3.47Å |
| 112 | E | 61.8 | Low | 65.1 | Low | 147 Ų | 147 | 115 Ų | 115 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.6 | -38.9 | 173.4 | -72.9 | -150.3 | 145.4 | 0 | 0 | 111.7 | E108 G109 K115 V116 | E108-E112 PolarHBondContact O-N 3.34Å; G109-E112 PolarHBondContact O-N 2.78Å; E112-K115 PolarHBondContact O-N 3.48Å; E112-V116 WeakPolarHBondContact O-CB 3.48Å; E112-V116 VanDerWaalsContact O-CG2 3.28Å; E112-V116 WeakPolarHBondContact O-CG2 2.92Å; E112-V116 PolarHBondContact O-N 2.92Å |
| 113 | D | 60.5 | Low | 64.8 | Low | 116 Ų | 116 | 111.8 Ų | 111.8 | 62% | 0.62 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -47.6 | 177.1 | -81.8 | -19.7 | 0 | 0 | 0 | 111.8 | G109 K115 V116 D117 | G109-D113 PolarHBondContact O-N 3.12Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.97Å; D113-V116 PolarHBondContact O-N 3.18Å; D113-V116 VanDerWaalsContact O-N 3.11Å; D113-D117 PolarHBondContact O-N 3.32Å |
| 114 | E | 61.8 | Low | 64.8 | Low | 131 Ų | 131 | 112.2 Ų | 112.2 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.5 | -38.8 | 177.4 | -169.9 | 173.6 | -122.8 | 0 | 0 | 111.3 | E110 D117 E118 | E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.01Å; E114-D117 PolarHBondContact O-N 3.41Å; E114-E118 PolarHBondContact O-N 3.41Å |
| 115 | K | 64.4 | Low | 65.2 | Low | 110 Ų | 110 | 112.5 Ų | 112.5 | 48% | 0.478 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.4 | -33.7 | 175.2 | -178.7 | 179.7 | 168.3 | -63.5 | 0 | 113.2 | Y111 E112 D113 E119 | Y111-K115 WeakPolarHBondContact O-CB 3.46Å; Y111-K115 PolarHBondContact O-N 3.47Å; E112-K115 PolarHBondContact O-N 3.48Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.97Å; K115-E119 IonicContact NZ-OE1 2.6Å; K115-E119 PolarHBondContact NZ-OE1 2.68Å; K115-E119 PolarHBondContact O-N 3.13Å |
| 116 | V | 63.8 | Low | 65 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.9 | -39.7 | 174.4 | 164.5 | 0 | 0 | 0 | 0 | 110.5 | E112 D113 E119 V120 | E112-V116 WeakPolarHBondContact O-CB 3.48Å; E112-V116 VanDerWaalsContact O-CG2 3.28Å; E112-V116 WeakPolarHBondContact O-CG2 2.92Å; E112-V116 PolarHBondContact O-N 2.92Å; D113-V116 PolarHBondContact O-N 3.18Å; D113-V116 VanDerWaalsContact O-N 3.11Å; V116-E119 PolarHBondContact O-N 3.48Å; V116-V120 HydrophobicContact CG1-CG2 4.39Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V116-V120 VanDerWaalsContact O-CG2 3.24Å; V116-V120 WeakPolarHBondContact O-CG2 2.96Å; V116-V120 PolarHBondContact O-N 3.43Å |
| 117 | D | 65.8 | Low | 64.7 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.5 | -38.5 | 174.7 | -87.5 | -10.4 | 0 | 0 | 0 | 112 | D113 E114 V120 E121 | D113-D117 PolarHBondContact O-N 3.32Å; E114-D117 PolarHBondContact O-N 3.41Å; D117-V120 PolarHBondContact O-N 3.34Å; D117-E121 PolarHBondContact O-N 3.33Å |
| 118 | E | 64.6 | Low | 64.9 | Low | 144 Ų | 144 | 115.7 Ų | 115.7 | 67% | 0.673 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.9 | -47.3 | 170.1 | -76.9 | -160.3 | 148 | 0 | 0 | 112.6 | E114 V120 E121 E122 | E114-E118 PolarHBondContact O-N 3.41Å; E118-V120 VanDerWaalsContact C-N 3.28Å; E118-V120 PolarHBondContact O-N 3.05Å; E118-E121 PolarHBondContact O-N 2.83Å; E118-E122 PolarHBondContact O-N 2.92Å |
| 119 | E | 64.8 | Low | 64.8 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.5 | -33.7 | 177.4 | -78.3 | -174.3 | -161.2 | 0 | 0 | 112.1 | K115 V116 A123 | K115-E119 IonicContact NZ-OE1 2.6Å; K115-E119 PolarHBondContact NZ-OE1 2.68Å; K115-E119 PolarHBondContact O-N 3.13Å; V116-E119 PolarHBondContact O-N 3.48Å; E119-A123 VanDerWaalsContact O-CB 3.23Å; E119-A123 WeakPolarHBondContact O-CB 3.03Å; E119-A123 PolarHBondContact O-N 3.13Å |
| 120 | V | 70.9 | Confident | 64.5 | Low | 69 Ų | 69 | 115.6 Ų | 115.6 | 42% | 0.418 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.4 | -41.5 | 175 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | V116 D117 E118 A123 L124 | V116-V120 HydrophobicContact CG1-CG2 4.39Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V116-V120 VanDerWaalsContact O-CG2 3.24Å; V116-V120 WeakPolarHBondContact O-CG2 2.96Å; V116-V120 PolarHBondContact O-N 3.43Å; D117-V120 PolarHBondContact O-N 3.34Å; E118-V120 VanDerWaalsContact C-N 3.28Å; E118-V120 PolarHBondContact O-N 3.05Å; V120-A123 PolarHBondContact O-N 2.03Å; V120-L124 HydrophobicContact CG1-CD1 3.91Å; V120-L124 HydrophobicContact CG1-CG 4.36Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.03Å |
| 121 | E | 72 | Confident | 64.1 | Low | 145 Ų | 145 | 114.7 Ų | 114.7 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68 | -40 | 176.2 | -168.6 | 171.6 | -145.7 | 0 | 0 | 111.5 | D117 E118 A123 L124 K125 | D117-E121 PolarHBondContact O-N 3.33Å; E118-E121 PolarHBondContact O-N 2.83Å; E121-A123 PolarHBondContact O-N 2.84Å; E121-L124 PolarHBondContact O-N 2.85Å; E121-K125 WeakPolarHBondContact O-CB 3.4Å; E121-K125 PolarHBondContact O-N 2.84Å |
| 122 | E | 70.6 | Confident | 63.8 | Low | 143 Ų | 143 | 112.7 Ų | 112.7 | 67% | 0.668 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.3 | -44.5 | 171.5 | -173.8 | 175.9 | -156.5 | 0 | 0 | 111.1 | E118 L124 K125 Y126 | E118-E122 PolarHBondContact O-N 2.92Å; E122-L124 PolarHBondContact O-N 3.39Å; E122-K125 PolarHBondContact O-N 3.25Å; E122-Y126 VanDerWaalsContact O-CB 3.32Å; E122-Y126 WeakPolarHBondContact O-CB 3.48Å; E122-Y126 PolarHBondContact O-N 2.98Å |
| 123 | A | 67.6 | Low | 63.4 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.5 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E119 V120 E121 N127 | E119-A123 VanDerWaalsContact O-CB 3.23Å; E119-A123 WeakPolarHBondContact O-CB 3.03Å; E119-A123 PolarHBondContact O-N 3.13Å; V120-A123 PolarHBondContact O-N 2.03Å; E121-A123 PolarHBondContact O-N 2.84Å; A123-N127 PolarHBondContact O-N 2.78Å; A123-N127 VanDerWaalsContact O-N 3.09Å; A123-N127 PolarHBondContact O-ND2 3.19Å |
| 124 | L | 68.9 | Low | 63.3 | Low | 114 Ų | 114 | 109 Ų | 109 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.1 | -47.5 | 175.2 | -75.6 | 170.4 | 0 | 0 | 0 | 111 | V120 E121 E122 Y126 N127 E128 | V120-L124 HydrophobicContact CG1-CD1 3.91Å; V120-L124 HydrophobicContact CG1-CG 4.36Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.03Å; E121-L124 PolarHBondContact O-N 2.85Å; E122-L124 PolarHBondContact O-N 3.39Å; L124-Y126 PolarHBondContact O-N 3.42Å; L124-N127 CarbonylContact O-C 3.54Å; L124-N127 PolarHBondContact O-N 2.89Å; L124-N127 VanDerWaalsContact O-N 3.14Å; L124-E128 PolarHBondContact O-N 3.36Å |
| 125 | K | 72.8 | Confident | 62.9 | Low | 133 Ų | 133 | 103.9 Ų | 103.9 | 58% | 0.578 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 177.2 | -177.4 | 179.7 | -179.6 | -179.3 | 0 | 112.6 | E121 E122 N127 E128 D129 | E121-K125 WeakPolarHBondContact O-CB 3.4Å; E121-K125 PolarHBondContact O-N 2.84Å; E122-K125 PolarHBondContact O-N 3.25Å; K125-N127 VanDerWaalsContact C-N 3.33Å; K125-N127 PolarHBondContact O-N 3.14Å; K125-E128 PolarHBondContact O-N 3.03Å; K125-D129 WeakPolarHBondContact O-CB 3.39Å; K125-D129 PolarHBondContact O-N 3.38Å |
| 126 | Y | 63.4 | Low | 62.4 | Low | 167 Ų | 167 | 100.9 Ų | 100.9 | 66% | 0.655 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -40.3 | 173.3 | -179.4 | -92.9 | 0 | 0 | 0 | 111.8 | E122 L124 A130 | E122-Y126 VanDerWaalsContact O-CB 3.32Å; E122-Y126 WeakPolarHBondContact O-CB 3.48Å; E122-Y126 PolarHBondContact O-N 2.98Å; L124-Y126 PolarHBondContact O-N 3.42Å; Y126-A130 WeakPolarHBondContact O-CB 3.46Å; Y126-A130 PolarHBondContact O-N 2.8Å |
| 127 | N | 64.6 | Low | 62.1 | Low | 96 Ų | 96 | 103.3 Ų | 103.3 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.3 | -35.5 | 174.3 | -78.9 | -72.4 | 0 | 0 | 0 | 112.3 | A123 L124 K125 T131 | A123-N127 PolarHBondContact O-N 2.78Å; A123-N127 VanDerWaalsContact O-N 3.09Å; A123-N127 PolarHBondContact O-ND2 3.19Å; L124-N127 CarbonylContact O-C 3.54Å; L124-N127 PolarHBondContact O-N 2.89Å; L124-N127 VanDerWaalsContact O-N 3.14Å; K125-N127 VanDerWaalsContact C-N 3.33Å; K125-N127 PolarHBondContact O-N 3.14Å; N127-T131 WeakPolarHBondContact O-CB 3.14Å; N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 2.85Å; N127-T131 PolarHBondContact O-OG1 2.95Å |
| 128 | E | 61.9 | Low | 62.1 | Low | 137 Ų | 137 | 100.4 Ų | 100.4 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.3 | -47.8 | 174.5 | -169.5 | 163.3 | -153.4 | 0 | 0 | 110.9 | L124 K125 A130 T131 Q132 | L124-E128 PolarHBondContact O-N 3.36Å; K125-E128 PolarHBondContact O-N 3.03Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 2.88Å; E128-T131 CarbonylContact O-C 3.57Å; E128-T131 PolarHBondContact O-N 3.06Å; E128-T131 PolarHBondContact O-OG1 3.39Å; E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.4Å |
| 129 | D | 59.5 | Low | 62.6 | Low | 90 Ų | 90 | 101.6 Ų | 101.6 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -33.5 | 174.7 | -77.9 | -16.6 | 0 | 0 | 0 | 113 | K125 T131 Q132 | K125-D129 WeakPolarHBondContact O-CB 3.39Å; K125-D129 PolarHBondContact O-N 3.38Å; D129-T131 VanDerWaalsContact C-N 3.34Å; D129-Q132 PolarHBondContact OD1-NE2 2.95Å |
| 130 | A | 55.5 | Low | 63.2 | Low | 71 Ų | 71 | 101.8 Ų | 101.8 | 59% | 0.587 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.4 | -18.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y126 E128 | Y126-A130 WeakPolarHBondContact O-CB 3.46Å; Y126-A130 PolarHBondContact O-N 2.8Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 2.88Å |
| 131 | T | 52.5 | Low | 63.2 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -106.1 | -2 | 174.5 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | N127 E128 D129 D133 | N127-T131 WeakPolarHBondContact O-CB 3.14Å; N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 2.85Å; N127-T131 PolarHBondContact O-OG1 2.95Å; E128-T131 CarbonylContact O-C 3.57Å; E128-T131 PolarHBondContact O-N 3.06Å; E128-T131 PolarHBondContact O-OG1 3.39Å; D129-T131 VanDerWaalsContact C-N 3.34Å; T131-D133 PolarHBondContact O-N 3.44Å |
| 132 | Q | 53.3 | Low | 63.4 | Low | 91 Ų | 91 | 97 Ų | 97 | 43% | 0.425 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -54.7 | 115.3 | 170.3 | -84.5 | -160.4 | 44.9 | 0 | 0 | 109.4 | E128 D129 A134 S136 | E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.4Å; D129-Q132 PolarHBondContact OD1-NE2 2.95Å; Q132-A134 PolarHBondContact O-N 3.13Å; Q132-S136 PolarHBondContact OE1-OG 3.34Å |
| 133 | D | 53.3 | Low | 63.6 | Low | 94 Ų | 94 | 95.7 Ų | 95.7 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | trans | -45 | 123.5 | 170.7 | -172 | 28.1 | 0 | 0 | 0 | 109.1 | T131 T135 S136 R143 | T131-D133 PolarHBondContact O-N 3.44Å; D133-T135 PolarHBondContact O-N 2.67Å; D133-T135 PolarHBondContact OD2-OG1 3.43Å; D133-S136 WeakPolarHBondContact O-CB 3.37Å; D133-S136 PolarHBondContact O-N 3.47Å; D133-S136 PolarHBondContact O-OG 3.12Å; D133-R143 IonicContact OD2-CZ 3.78Å; D133-R143 IonicContact OD2-NE 2.58Å; D133-R143 IonicContact OD2-NH2 2.81Å; D133-R143 PolarHBondContact OD2-NH2 2.98Å | ||
| 134 | A | 56.7 | Low | 64.3 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 76% | 0.76 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 15.3 | -169 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q132 | Q132-A134 PolarHBondContact O-N 3.13Š|
| 135 | T | 54 | Low | 64.9 | Low | 23 Ų | 23 | 99.9 Ų | 99.9 | 14% | 0.141 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -0.6 | 171.3 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | D133 T137 L138 R143 I146 | D133-T135 PolarHBondContact O-N 2.67Å; D133-T135 PolarHBondContact OD2-OG1 3.43Å; T135-T137 PolarHBondContact O-N 3.26Å; T135-L138 HydrophobicContact CG2-CD1 4.18Å; T135-L138 WeakPolarHBondContact O-CB 3.39Å; T135-L138 PolarHBondContact O-N 2.97Å; T135-R143 PolarHBondContact OG1-NE 2.8Å; T135-I146 HydrophobicContact CG2-CD1 4.07Å; T135-I146 HydrophobicContact CG2-CG2 4.31Å |
| 136 | S | 53.4 | Low | 65.2 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 33% | 0.329 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -40 | -179.7 | 63.7 | 0 | 0 | 0 | 0 | 113 | Q132 D133 L138 | Q132-S136 PolarHBondContact OE1-OG 3.34Å; D133-S136 WeakPolarHBondContact O-CB 3.37Å; D133-S136 PolarHBondContact O-N 3.47Å; D133-S136 PolarHBondContact O-OG 3.12Å; S136-L138 PolarHBondContact O-N 3.16Å |
| 137 | T | 59 | Low | 66.2 | Low | 125 Ų | 125 | 93 Ų | 93 | 77% | 0.767 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.3 | 177.3 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | T135 | T135-T137 PolarHBondContact O-N 3.26Š|
| 138 | L | 63.9 | Low | 67.3 | Low | 57 Ų | 57 | 95.8 Ų | 95.8 | 30% | 0.298 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -90.1 | 143.2 | -180 | -57.2 | 178.6 | 0 | 0 | 0 | 111.3 | T135 S136 V142 I146 | T135-L138 HydrophobicContact CG2-CD1 4.18Å; T135-L138 WeakPolarHBondContact O-CB 3.39Å; T135-L138 PolarHBondContact O-N 2.97Å; S136-L138 PolarHBondContact O-N 3.16Å; L138-V142 HydrophobicContact CB-CB 4.41Å; L138-V142 HydrophobicContact CB-CG1 4.41Å; L138-V142 HydrophobicContact CD1-CG1 4.23Å; L138-I146 HydrophobicContact CD1-CD1 3.36Å |
| 139 | K | 76.8 | Confident | 68.4 | Low | 169 Ų | 169 | 90.9 Ų | 90.9 | 74% | 0.735 | 50% | 0.498 | S | S | * | . | trans | -52.2 | 137.6 | 175.5 | -66.6 | 174.2 | -178.8 | 170.5 | 0 | 110.1 | A141 V142 R143 | K139-A141 PolarHBondContact O-N 3.14Å; K139-V142 HydrophobicContact CB-CG2 4.31Å; K139-V142 WeakPolarHBondContact O-CA 3.34Å; K139-V142 WeakPolarHBondContact O-CB 3.37Å; K139-V142 PolarHBondContact O-N 3.22Å; K139-R143 PolarHBondContact O-N 2.71Å; K139-R143 VanDerWaalsContact O-N 3.13Å | ||
| 140 | P | 75.9 | Confident | 69.7 | Low | 113 Ų | 113 | 91.6 Ų | 91.6 | 73% | 0.734 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -53.2 | -32.2 | -174.6 | -31.3 | 36 | 0 | 0 | 0 | 115.4 | R143 K144 | P140-R143 PolarHBondContact O-N 2.82Å; P140-K144 PolarHBondContact O-N 3.22Å |
| 141 | A | 72.1 | Confident | 71.2 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K139 K144 E145 | K139-A141 PolarHBondContact O-N 3.14Å; A141-K144 PolarHBondContact O-N 2.03Å; A141-E145 PolarHBondContact O-N 2.88Å |
| 142 | V | 75.4 | Confident | 72.9 | Confident | 37 Ų | 37 | 93.3 Ų | 93.3 | 22% | 0.224 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -70 | -39.7 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | L138 K139 K144 E145 I146 F170 | L138-V142 HydrophobicContact CB-CB 4.41Å; L138-V142 HydrophobicContact CB-CG1 4.41Å; L138-V142 HydrophobicContact CD1-CG1 4.23Å; K139-V142 HydrophobicContact CB-CG2 4.31Å; K139-V142 WeakPolarHBondContact O-CA 3.34Å; K139-V142 WeakPolarHBondContact O-CB 3.37Å; K139-V142 PolarHBondContact O-N 3.22Å; V142-K144 VanDerWaalsContact C-N 3.33Å; V142-K144 PolarHBondContact O-N 2.98Å; V142-E145 PolarHBondContact O-N 2.92Å; V142-E145 VanDerWaalsContact O-N 3.14Å; V142-I146 HydrophobicContact CG1-CD1 3.97Å; V142-I146 HydrophobicContact CG1-CG1 4.38Å; V142-I146 WeakPolarHBondContact O-CG1 3.44Å; V142-I146 PolarHBondContact O-N 3.16Å; V142-F170 HydrophobicContact CG1-CE1 4.09Å; V142-F170 HydrophobicContact CG1-CZ 3.73Å |
| 143 | R | 74.8 | Confident | 74.6 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 174.9 | -165.2 | 172.2 | -168.2 | -158.5 | 0.4 | 111.6 | D133 T135 K139 P140 E145 I146 E147 | D133-R143 IonicContact OD2-CZ 3.78Å; D133-R143 IonicContact OD2-NE 2.58Å; D133-R143 IonicContact OD2-NH2 2.81Å; D133-R143 PolarHBondContact OD2-NH2 2.98Å; T135-R143 PolarHBondContact OG1-NE 2.8Å; K139-R143 PolarHBondContact O-N 2.71Å; K139-R143 VanDerWaalsContact O-N 3.13Å; P140-R143 PolarHBondContact O-N 2.82Å; R143-E145 PolarHBondContact O-N 2.81Å; R143-I146 PolarHBondContact O-N 3.19Å; R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 PolarHBondContact O-N 2.98Å |
| 144 | K | 83 | Confident | 76.3 | Confident | 151 Ų | 151 | 90.4 Ų | 90.4 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.5 | -32.4 | 174.6 | -170.9 | 170.4 | -175.1 | 170.6 | 0 | 113.4 | P140 A141 V142 K148 | P140-K144 PolarHBondContact O-N 3.22Å; A141-K144 PolarHBondContact O-N 2.03Å; V142-K144 VanDerWaalsContact C-N 3.33Å; V142-K144 PolarHBondContact O-N 2.98Å; K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 3.49Å; K144-K148 VanDerWaalsContact O-N 3.11Å |
| 145 | E | 81.1 | Confident | 77.8 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.8 | -43 | 172.8 | -172.1 | 172.5 | -174.5 | 0 | 0 | 111.7 | A141 V142 R143 E147 K148 L149 | A141-E145 PolarHBondContact O-N 2.88Å; V142-E145 PolarHBondContact O-N 2.92Å; V142-E145 VanDerWaalsContact O-N 3.14Å; R143-E145 PolarHBondContact O-N 2.81Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.99Å; E145-K148 PolarHBondContact O-N 3.25Å; E145-L149 HydrophobicContact CG-CD1 4.25Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.35Å; E145-L149 PolarHBondContact O-N 3.13Å |
| 146 | I | 80.1 | Confident | 79.4 | Confident | 21 Ų | 21 | 98.6 Ų | 98.6 | 11% | 0.108 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.2 | -66.7 | 168.2 | 0 | 0 | 0 | 110.9 | T135 L138 V142 R143 L149 K150 V168 F170 | T135-I146 HydrophobicContact CG2-CD1 4.07Å; T135-I146 HydrophobicContact CG2-CG2 4.31Å; L138-I146 HydrophobicContact CD1-CD1 3.36Å; V142-I146 HydrophobicContact CG1-CD1 3.97Å; V142-I146 HydrophobicContact CG1-CG1 4.38Å; V142-I146 WeakPolarHBondContact O-CG1 3.44Å; V142-I146 PolarHBondContact O-N 3.16Å; R143-I146 PolarHBondContact O-N 3.19Å; I146-L149 CarbonylContact O-C 3.51Å; I146-L149 PolarHBondContact O-N 3.07Å; I146-K150 WeakPolarHBondContact O-CB 3.02Å; I146-K150 PolarHBondContact O-N 2.66Å; I146-V168 HydrophobicContact CG1-CB 4.49Å; I146-V168 HydrophobicContact CG1-CG2 4.13Å; I146-V168 HydrophobicContact CG2-CG2 4.29Å; I146-F170 HydrophobicContact CD1-CZ 4.25Å |
| 147 | E | 84 | Confident | 81.1 | Confident | 134 Ų | 134 | 98.9 Ų | 98.9 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -46.6 | 175.4 | -175.7 | 176.5 | -149.7 | 0 | 0 | 112 | R143 E145 L149 K150 E151 | R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 PolarHBondContact O-N 2.98Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.99Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.45Å; E147-K150 WeakPolarHBondContact O-CB 3.47Å; E147-K150 PolarHBondContact O-N 3.38Å; E147-K150 VanDerWaalsContact O-N 3.13Å; E147-E151 PolarHBondContact O-N 2.84Å |
| 148 | K | 86.4 | Confident | 82.7 | Confident | 155 Ų | 155 | 94 Ų | 94 | 67% | 0.674 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.1 | -37.9 | 174.2 | -175.1 | 179.8 | 179.8 | -178.3 | 0 | 112.4 | K144 E145 A152 | K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 3.49Å; K144-K148 VanDerWaalsContact O-N 3.11Å; E145-K148 PolarHBondContact O-N 3.25Å; K148-A152 VanDerWaalsContact O-CB 3.26Å; K148-A152 WeakPolarHBondContact O-CB 3.47Å; K148-A152 PolarHBondContact O-N 3.31Å |
| 149 | L | 84.8 | Confident | 83.9 | Confident | 35 Ų | 35 | 95 Ų | 95 | 18% | 0.183 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -68.7 | -35.3 | 174 | -72.6 | 170.8 | 0 | 0 | 0 | 111.9 | E145 I146 E147 K153 V168 V175 V178 | E145-L149 HydrophobicContact CG-CD1 4.25Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.35Å; E145-L149 PolarHBondContact O-N 3.13Å; I146-L149 CarbonylContact O-C 3.51Å; I146-L149 PolarHBondContact O-N 3.07Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.45Å; L149-K153 VanDerWaalsContact O-CB 3.23Å; L149-K153 WeakPolarHBondContact O-CB 3.5Å; L149-K153 VanDerWaalsContact O-CG 3.27Å; L149-K153 WeakPolarHBondContact O-CG 3.17Å; L149-K153 PolarHBondContact O-N 2.92Å; L149-V168 HydrophobicContact CD1-CG2 4.44Å; L149-V175 HydrophobicContact CD1-CG1 4.11Å; L149-V175 HydrophobicContact CD1-CG2 4.2Å; L149-V178 HydrophobicContact CB-CG1 4.22Å; L149-V178 HydrophobicContact CD1-CG2 3.99Å; L149-V178 HydrophobicContact CD2-CG1 4.45Å; L149-V178 HydrophobicContact CD2-CG2 4.2Å |
| 150 | K | 87.3 | Confident | 84.4 | Confident | 104 Ų | 104 | 91.4 Ų | 91.4 | 45% | 0.452 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.7 | -53.6 | 173.2 | -173.4 | -179.9 | 179.8 | 180 | 0 | 110.3 | I146 E147 A152 K153 C154 C164 V166 | I146-K150 WeakPolarHBondContact O-CB 3.02Å; I146-K150 PolarHBondContact O-N 2.66Å; E147-K150 WeakPolarHBondContact O-CB 3.47Å; E147-K150 PolarHBondContact O-N 3.38Å; E147-K150 VanDerWaalsContact O-N 3.13Å; K150-A152 PolarHBondContact O-N 3.18Å; K150-K153 PolarHBondContact O-N 3.42Å; K150-C154 WeakPolarHBondContact O-CB 3.47Å; K150-C154 PolarHBondContact O-N 3.29Å; K150-C164 WeakPolarHBondContact CE-O 3.43Å; K150-V166 HydrophobicContact CB-CG2 4.3Å; K150-V166 HydrophobicContact CG-CG2 4.29Å |
| 151 | E | 87.8 | Confident | 84.9 | Confident | 145 Ų | 145 | 93.9 Ų | 93.9 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -55.7 | -50.2 | 175.9 | -168.6 | -172.9 | -176.1 | 0 | 0 | 111.5 | E147 K153 K155 | E147-E151 PolarHBondContact O-N 2.84Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 3.49Å; E151-K155 VanDerWaalsContact O-CB 3.27Å; E151-K155 WeakPolarHBondContact O-CB 3.49Å; E151-K155 PolarHBondContact O-N 3.28Å |
| 152 | A | 88 | Confident | 85.7 | Confident | 75 Ų | 75 | 91 Ų | 91 | 62% | 0.62 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.8 | -16.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K148 K150 | K148-A152 VanDerWaalsContact O-CB 3.26Å; K148-A152 WeakPolarHBondContact O-CB 3.47Å; K148-A152 PolarHBondContact O-N 3.31Å; K150-A152 PolarHBondContact O-N 3.18Å |
| 153 | K | 88.6 | Confident | 86.4 | Confident | 101 Ų | 101 | 92.9 Ų | 92.9 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -113.2 | -24.6 | -179.4 | -64.5 | -62.2 | -172.6 | -176.3 | 0 | 114.5 | L149 K150 E151 Y157 V166 V178 P180 | L149-K153 VanDerWaalsContact O-CB 3.23Å; L149-K153 WeakPolarHBondContact O-CB 3.5Å; L149-K153 VanDerWaalsContact O-CG 3.27Å; L149-K153 WeakPolarHBondContact O-CG 3.17Å; L149-K153 PolarHBondContact O-N 2.92Å; K150-K153 PolarHBondContact O-N 3.42Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 3.49Å; K153-Y157 WeakPolarHBondContact O-CB 3.29Å; K153-V166 HydrophobicContact CB-CG2 4.26Å; K153-V178 HydrophobicContact CG-CG1 3.82Å; K153-P180 HydrophobicContact CB-CB 4.23Å; K153-P180 HydrophobicContact CB-CG 4.3Å |
| 154 | C | 89.4 | Confident | 87.1 | Confident | 23 Ų | 23 | 88.4 Ų | 88.4 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -88.3 | -25.2 | 177.2 | -76.1 | 0 | 0 | 0 | 0 | 113.8 | K150 D156 Y157 C164 V166 | K150-C154 WeakPolarHBondContact O-CB 3.47Å; K150-C154 PolarHBondContact O-N 3.29Å; C154-D156 PolarHBondContact O-N 2.9Å; C154-D156 VanDerWaalsContact O-N 3.13Å; C154-Y157 PolarHBondContact O-N 3.48Å; C154-Y157 VanDerWaalsContact O-N 3.07Å; C154-C164 WeakPolarHBondContact CA-SG 3.32Å; C154-C164 HydrophobicContact CB-CB 3.45Å; C154-C164 VanDerWaalsContact CB-CB 3.45Å; C154-C164 WeakPolarHBondContact CB-SG 3.46Å; C154-C164 WeakPolarHBondContact SG-CB 3.47Å; C154-C164 CovalentContact SG-SG 2.03Å; C154-C164 PolarHBondContact SG-SG 2.89Å; C154-V166 VanDerWaalsContact SG-CG2 3.53Å |
| 155 | K | 88.4 | Confident | 87.4 | Confident | 155 Ų | 155 | 86.1 Ų | 86.1 | 67% | 0.674 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 120.8 | 177.7 | 179.5 | 166.9 | -176.1 | 172.8 | 0 | 110.6 | E151 Y157 | E151-K155 VanDerWaalsContact O-CB 3.27Å; E151-K155 WeakPolarHBondContact O-CB 3.49Å; E151-K155 PolarHBondContact O-N 3.28Å; K155-Y157 PolarHBondContact O-N 3.38Å |
| 156 | D | 86.5 | Confident | 87.8 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 15.1 | -179.8 | -48 | -44.9 | 0 | 0 | 0 | 115.3 | C154 | C154-D156 PolarHBondContact O-N 2.9Å; C154-D156 VanDerWaalsContact O-N 3.13Å |
| 157 | Y | 90.1 | Very high | 88 | Confident | 53 Ų | 53 | 87.4 Ų | 87.4 | 21% | 0.208 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -39.5 | -178.8 | -176.9 | -91.2 | 0 | 0 | 0 | 113 | K153 C154 K155 P180 C182 R192 | K153-Y157 WeakPolarHBondContact O-CB 3.29Å; C154-Y157 PolarHBondContact O-N 3.48Å; C154-Y157 VanDerWaalsContact O-N 3.07Å; K155-Y157 PolarHBondContact O-N 3.38Å; Y157-P180 HydrophobicContact CD1-CB 3.87Å; Y157-P180 HydrophobicContact CD1-CG 4.09Å; Y157-P180 HydrophobicContact CD2-CB 4.45Å; Y157-P180 HydrophobicContact CD2-CG 3.89Å; Y157-P180 HydrophobicContact CE1-CB 3.95Å; Y157-P180 HydrophobicContact CE1-CG 3.92Å; Y157-P180 HydrophobicContact CE2-CB 4.48Å; Y157-P180 HydrophobicContact CE2-CG 3.66Å; Y157-P180 HydrophobicContact CG-CB 4.16Å; Y157-P180 HydrophobicContact CG-CG 4.11Å; Y157-C182 WeakPolarHBondContact CD1-SG 3.25Å; Y157-C182 VanDerWaalsContact CE1-SG 3.59Å; Y157-R192 HydrophobicContact CD1-CG 4.46Å; Y157-R192 HydrophobicContact CE1-CG 4.06Å; Y157-R192 WeakPolarHBondContact O-CB 3.48Å; Y157-R192 VanDerWaalsContact O-CD 3.22Å; Y157-R192 WeakPolarHBondContact O-CD 3.3Å; Y157-R192 VanDerWaalsContact O-CG 3.26Å; Y157-R192 WeakPolarHBondContact O-CG 3.42Å |
| 158 | C | 91.5 | Very high | 88 | Confident | 23 Ų | 23 | 82.2 Ų | 82.2 | 16% | 0.155 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -100.7 | 139.1 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 111 | A162 C164 C182 | C158-A162 HydrophobicContact CB-CB 4.07Å; C158-C164 WeakPolarHBondContact SG-CB 3.43Å; C158-C182 WeakPolarHBondContact CA-SG 3.34Å; C158-C182 HydrophobicContact CB-CB 3.86Å; C158-C182 WeakPolarHBondContact CB-SG 3.3Å; C158-C182 VanDerWaalsContact SG-CA 3.52Å; C158-C182 WeakPolarHBondContact SG-CB 3.47Å; C158-C182 CovalentContact SG-SG 2.03Å; C158-C182 PolarHBondContact SG-SG 3.49Å |
| 159 | H | 90 | Very high | 87.8 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | trans | -97.5 | 170.3 | 178.8 | -57.8 | -53.4 | 0 | 0 | 0 | 112.2 | N161 A162 R192 | H159-N161 VanDerWaalsContact C-N 3.3Å; H159-N161 PolarHBondContact O-N 3.49Å; H159-N161 VanDerWaalsContact O-N 3.16Å; H159-A162 VanDerWaalsContact O-CB 3.29Å; H159-A162 WeakPolarHBondContact O-CB 3.01Å; H159-A162 PolarHBondContact O-N 3.34Å; H159-A162 VanDerWaalsContact O-N 3.14Å; H159-R192 WeakPolarHBondContact CB-O 3.41Å; H159-R192 PolarHBondContact CD2-O 2.95Å; H159-R192 PolarHBondContact N-O 2.9Å | ||
| 160 | H | 88.3 | Confident | 87.4 | Confident | 95 Ų | 95 | 81 Ų | 81 | 44% | 0.44 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 35.1 | 170 | -51.1 | 109 | 0 | 0 | 0 | 115.9 | A162 P185 W188 C193 | H160-A162 VanDerWaalsContact C-N 3.25Å; H160-A162 PolarHBondContact O-N 3.02Å; H160-P185 WeakPolarHBondContact O-CG 3.48Å; H160-W188 HydrophobicContact CB-CD2 4.09Å; H160-W188 HydrophobicContact CB-CG 4.36Å; H160-W188 HydrophobicContact CB-CZ2 4.49Å; H160-W188 AromaticContact CD2-CH2 3.7Å; H160-W188 AromaticContact CD2-CZ2 3.78Å; H160-W188 AromaticContact CE1-CE3 3.68Å; H160-W188 AromaticContact CE1-CH2 3.49Å; H160-W188 VanDerWaalsContact CE1-CH2 3.49Å; H160-W188 WeakPolarHBondContact CE1-CH2 3.29Å; H160-W188 AromaticContact CE1-CZ3 3.17Å; H160-W188 WeakPolarHBondContact CE1-CZ3 3.43Å; H160-W188 AromaticContact CG-CD2 3.85Å; H160-W188 AromaticContact CG-CE2 3.84Å; H160-W188 AromaticContact CG-CE3 3.86Å; H160-W188 AromaticContact CG-CH2 3.88Å; H160-W188 AromaticContact CG-CZ2 3.86Å; H160-W188 AromaticContact CG-CZ3 3.89Å; H160-W188 AromaticContact ND1-CD2 3.75Å; H160-W188 AromaticContact ND1-CE3 3.3Å; H160-W188 VanDerWaalsContact ND1-CE3 3.3Å; H160-W188 AromaticContact ND1-CH2 3.75Å; H160-W188 AromaticContact ND1-CZ3 3.32Å; H160-W188 VanDerWaalsContact ND1-CZ3 3.32Å; H160-W188 WeakPolarHBondContact ND1-CZ3 3.42Å; H160-W188 AromaticContact NE2-CH2 3.47Å; H160-W188 WeakPolarHBondContact NE2-CH2 3.4Å; H160-W188 AromaticContact NE2-CZ3 3.69Å; H160-C193 PolarHBondContact ND1-O 2.75Å |
| 161 | N | 85.8 | Confident | 87.1 | Confident | 165 Ų | 165 | 84.6 Ų | 84.6 | 88% | 0.882 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 27.7 | -179.7 | -160.8 | 57.4 | 0 | 0 | 0 | 114.4 | H159 | H159-N161 VanDerWaalsContact C-N 3.3Å; H159-N161 PolarHBondContact O-N 3.49Å; H159-N161 VanDerWaalsContact O-N 3.16Å |
| 162 | A | 88.6 | Confident | 86.3 | Confident | 16 Ų | 16 | 86.2 Ų | 86.2 | 13% | 0.132 | 43% | 0.43 | C | S | . | . | trans | -68.2 | 142.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C158 H159 H160 H183 C193 | C158-A162 HydrophobicContact CB-CB 4.07Å; H159-A162 VanDerWaalsContact O-CB 3.29Å; H159-A162 WeakPolarHBondContact O-CB 3.01Å; H159-A162 PolarHBondContact O-N 3.34Å; H159-A162 VanDerWaalsContact O-N 3.14Å; H160-A162 VanDerWaalsContact C-N 3.25Å; H160-A162 PolarHBondContact O-N 3.02Å; A162-H183 WeakPolarHBondContact CA-O 3.44Å; A162-H183 VanDerWaalsContact CB-O 3.3Å; A162-H183 WeakPolarHBondContact CB-O 3.26Å; A162-C193 HydrophobicContact CB-CB 4.03Å; A162-C193 WeakPolarHBondContact CB-SG 3.04Å | ||
| 163 | T | 90.6 | Very high | 85.2 | Confident | 77 Ų | 77 | 90.5 Ų | 90.5 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.5 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | H183 | T163-H183 PolarHBondContact N-O 3.41Å; T163-H183 PolarHBondContact O-N 3.29Å |
| 164 | C | 89.7 | Confident | 84.3 | Confident | 20 Ų | 20 | 94.7 Ų | 94.7 | 14% | 0.135 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.4 | -177.8 | -174.8 | 0 | 0 | 0 | 0 | 112 | K150 C154 C158 S181 | K150-C164 WeakPolarHBondContact CE-O 3.43Å; C154-C164 WeakPolarHBondContact CA-SG 3.32Å; C154-C164 HydrophobicContact CB-CB 3.45Å; C154-C164 VanDerWaalsContact CB-CB 3.45Å; C154-C164 WeakPolarHBondContact CB-SG 3.46Å; C154-C164 WeakPolarHBondContact SG-CB 3.47Å; C154-C164 CovalentContact SG-SG 2.03Å; C154-C164 PolarHBondContact SG-SG 2.89Å; C158-C164 WeakPolarHBondContact SG-CB 3.43Å; C164-S181 WeakPolarHBondContact CA-O 3.29Å |
| 165 | H | 89 | Confident | 83.6 | Confident | 104 Ų | 104 | 95.8 Ų | 95.8 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 155.7 | 178 | -59.2 | -102.7 | 0 | 0 | 0 | 108.4 | P180 S181 | H165-P180 CarbonylContact O-C 3.41Å; H165-P180 WeakPolarHBondContact O-CA 3.29Å; H165-S181 PolarHBondContact N-O 3.11Å; H165-S181 PolarHBondContact O-N 3.03Å |
| 166 | V | 88.9 | Confident | 83 | Confident | 25 Ų | 25 | 91.2 Ų | 91.2 | 15% | 0.152 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 118.1 | 179.9 | 177 | 0 | 0 | 0 | 0 | 110 | K150 K153 C154 V168 V178 V179 P180 | K150-V166 HydrophobicContact CB-CG2 4.3Å; K150-V166 HydrophobicContact CG-CG2 4.29Å; K153-V166 HydrophobicContact CB-CG2 4.26Å; C154-V166 VanDerWaalsContact SG-CG2 3.53Å; V166-V168 HydrophobicContact CG1-CG2 3.95Å; V166-V178 HydrophobicContact CG1-CG1 3.29Å; V166-V179 WeakPolarHBondContact CA-O 3.49Å; V166-P180 HydrophobicContact CG2-CB 4.28Å |
| 167 | E | 84.9 | Confident | 82.7 | Confident | 122 Ų | 122 | 86.9 Ų | 86.9 | 57% | 0.57 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.5 | 170.2 | -68.9 | 172.9 | -159.7 | 0 | 0 | 109 | V178 V179 | E167-V178 WeakPolarHBondContact O-CA 3.32Å; E167-V179 HydrophobicContact CB-CB 4.44Å; E167-V179 PolarHBondContact N-O 2.85Å; E167-V179 PolarHBondContact O-N 2.83Å |
| 168 | V | 83.3 | Confident | 82.5 | Confident | 26 Ų | 26 | 86 Ų | 86 | 16% | 0.158 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.5 | -179.9 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | I146 L149 V166 F170 V175 V178 | I146-V168 HydrophobicContact CG1-CB 4.49Å; I146-V168 HydrophobicContact CG1-CG2 4.13Å; I146-V168 HydrophobicContact CG2-CG2 4.29Å; L149-V168 HydrophobicContact CD1-CG2 4.44Å; V166-V168 HydrophobicContact CG1-CG2 3.95Å; V168-F170 HydrophobicContact CB-CE2 4.04Å; V168-F170 HydrophobicContact CB-CZ 4.33Å; V168-F170 HydrophobicContact CG1-CD2 4.26Å; V168-F170 HydrophobicContact CG1-CE1 4.15Å; V168-F170 HydrophobicContact CG1-CE2 3.65Å; V168-F170 HydrophobicContact CG1-CZ 3.58Å; V168-F170 WeakPolarHBondContact O-CD2 3.22Å; V168-V175 HydrophobicContact CG1-CB 4.36Å; V168-V175 HydrophobicContact CG1-CG1 3.88Å; V168-V175 HydrophobicContact CG1-CG2 3.8Å; V168-V178 HydrophobicContact CG2-CG1 4.44Å |
| 169 | I | 81.4 | Confident | 82.3 | Confident | 82 Ų | 82 | 88 Ų | 88 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.9 | -177.8 | -57.4 | 173.9 | 0 | 0 | 0 | 108.1 | S176 A177 | I169-S176 WeakPolarHBondContact O-CA 3.39Å; I169-S176 WeakPolarHBondContact O-CB 3.44Å; I169-S176 PolarHBondContact O-N 3.38Å; I169-S176 PolarHBondContact O-OG 3.31Å; I169-A177 HydrophobicContact CB-CB 4.25Å; I169-A177 HydrophobicContact CD1-CB 4.31Å; I169-A177 PolarHBondContact N-O 2.93Å; I169-A177 PolarHBondContact O-N 2.87Å |
| 170 | F | 78.3 | Confident | 82.3 | Confident | 82 Ų | 82 | 85.2 Ų | 85.2 | 36% | 0.36 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 148.1 | 176 | -63.5 | -89.6 | 0 | 0 | 0 | 112 | V142 I146 V168 R174 V175 | V142-F170 HydrophobicContact CG1-CE1 4.09Å; V142-F170 HydrophobicContact CG1-CZ 3.73Å; I146-F170 HydrophobicContact CD1-CZ 4.25Å; V168-F170 HydrophobicContact CB-CE2 4.04Å; V168-F170 HydrophobicContact CB-CZ 4.33Å; V168-F170 HydrophobicContact CG1-CD2 4.26Å; V168-F170 HydrophobicContact CG1-CE1 4.15Å; V168-F170 HydrophobicContact CG1-CE2 3.65Å; V168-F170 HydrophobicContact CG1-CZ 3.58Å; V168-F170 WeakPolarHBondContact O-CD2 3.22Å; F170-R174 CarbonylContact C-O 3.55Å; F170-R174 VanDerWaalsContact CA-O 3.28Å; F170-R174 WeakPolarHBondContact CA-O 3.44Å; F170-V175 HydrophobicContact CD1-CG2 4.2Å; F170-V175 HydrophobicContact CE1-CG2 3.66Å; F170-V175 HydrophobicContact CZ-CG2 4.31Å |
| 171 | R | 79.1 | Confident | 82.4 | Confident | 180 Ų | 180 | 83.3 Ų | 83.3 | 68% | 0.679 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 134.3 | 163.3 | -71.1 | -179.7 | 176.6 | -164.1 | -2.9 | 108 | D173 R174 | R171-D173 VanDerWaalsContact C-N 3.26Å; R171-D173 PolarHBondContact O-N 2.86Å; R171-R174 PolarHBondContact N-O 3.44Å; R171-R174 PolarHBondContact O-N 3.38Å; R171-R174 VanDerWaalsContact O-O 3.11Å |
| 172 | E | 71.9 | Confident | 82.7 | Confident | 178 Ų | 178 | 76.3 Ų | 76.3 | 83% | 0.832 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 47.2 | 176.1 | -60.8 | 165.8 | -155.1 | 0 | 0 | 112 | R174 | E172-R174 PolarHBondContact O-N 2.83Å; E172-R174 VanDerWaalsContact O-N 3.08Å |
| 173 | D | 65.4 | Low | 82.9 | Confident | 165 Ų | 165 | 81.9 Ų | 81.9 | 88% | 0.882 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 18 | -175.2 | -59.8 | -21.5 | 0 | 0 | 0 | 116.2 | R171 | R171-D173 VanDerWaalsContact C-N 3.26Å; R171-D173 PolarHBondContact O-N 2.86Å |
| 174 | R | 69.3 | Low | 82.9 | Confident | 190 Ų | 190 | 79.8 Ų | 79.8 | 72% | 0.717 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.8 | 178.4 | -62.7 | 172.4 | -166.1 | -165.2 | 3 | 111.5 | F170 R171 E172 S176 | F170-R174 CarbonylContact C-O 3.55Å; F170-R174 VanDerWaalsContact CA-O 3.28Å; F170-R174 WeakPolarHBondContact CA-O 3.44Å; R171-R174 PolarHBondContact N-O 3.44Å; R171-R174 PolarHBondContact O-N 3.38Å; R171-R174 VanDerWaalsContact O-O 3.11Å; E172-R174 PolarHBondContact O-N 2.83Å; E172-R174 VanDerWaalsContact O-N 3.08Å; R174-S176 PolarHBondContact O-N 3.37Å; R174-S176 VanDerWaalsContact O-N 3.15Å |
| 175 | V | 73.9 | Confident | 82.8 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 28% | 0.279 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 112.8 | 170.5 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | L149 V168 F170 V178 | L149-V175 HydrophobicContact CD1-CG1 4.11Å; L149-V175 HydrophobicContact CD1-CG2 4.2Å; V168-V175 HydrophobicContact CG1-CB 4.36Å; V168-V175 HydrophobicContact CG1-CG1 3.88Å; V168-V175 HydrophobicContact CG1-CG2 3.8Å; F170-V175 HydrophobicContact CD1-CG2 4.2Å; F170-V175 HydrophobicContact CE1-CG2 3.66Å; F170-V175 HydrophobicContact CZ-CG2 4.31Å; V175-V178 HydrophobicContact CG1-CG2 3.32Å |
| 176 | S | 77.1 | Confident | 82.6 | Confident | 59 Ų | 59 | 85.6 Ų | 85.6 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -32.2 | -176.2 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | I169 R174 | I169-S176 WeakPolarHBondContact O-CA 3.39Å; I169-S176 WeakPolarHBondContact O-CB 3.44Å; I169-S176 PolarHBondContact O-N 3.38Å; I169-S176 PolarHBondContact O-OG 3.31Å; R174-S176 PolarHBondContact O-N 3.37Å; R174-S176 VanDerWaalsContact O-N 3.15Å |
| 177 | A | 79.8 | Confident | 82.4 | Confident | 40 Ų | 40 | 85.8 Ų | 85.8 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 153.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I169 | I169-A177 HydrophobicContact CB-CB 4.25Å; I169-A177 HydrophobicContact CD1-CB 4.31Å; I169-A177 PolarHBondContact N-O 2.93Å; I169-A177 PolarHBondContact O-N 2.87Å |
| 178 | V | 85.1 | Confident | 82.6 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 110 | -176.2 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | L149 K153 V166 E167 V168 V175 | L149-V178 HydrophobicContact CB-CG1 4.22Å; L149-V178 HydrophobicContact CD1-CG2 3.99Å; L149-V178 HydrophobicContact CD2-CG1 4.45Å; L149-V178 HydrophobicContact CD2-CG2 4.2Å; K153-V178 HydrophobicContact CG-CG1 3.82Å; V166-V178 HydrophobicContact CG1-CG1 3.29Å; E167-V178 WeakPolarHBondContact O-CA 3.32Å; V168-V178 HydrophobicContact CG2-CG1 4.44Å; V175-V178 HydrophobicContact CG1-CG2 3.32Å |
| 179 | V | 88 | Confident | 82.7 | Confident | 65 Ų | 65 | 87.5 Ų | 87.5 | 39% | 0.394 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.8 | -171.2 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | V166 E167 | V166-V179 WeakPolarHBondContact CA-O 3.49Å; E167-V179 HydrophobicContact CB-CB 4.44Å; E167-V179 PolarHBondContact N-O 2.85Å; E167-V179 PolarHBondContact O-N 2.83Å |
| 180 | P | 89.8 | Confident | 82.9 | Confident | 20 Ų | 20 | 84.9 Ų | 84.9 | 13% | 0.13 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 139.7 | 170.3 | 30.2 | -33.2 | 0 | 0 | 0 | 110.9 | K153 Y157 H165 V166 | K153-P180 HydrophobicContact CB-CB 4.23Å; K153-P180 HydrophobicContact CB-CG 4.3Å; Y157-P180 HydrophobicContact CD1-CB 3.87Å; Y157-P180 HydrophobicContact CD1-CG 4.09Å; Y157-P180 HydrophobicContact CD2-CB 4.45Å; Y157-P180 HydrophobicContact CD2-CG 3.89Å; Y157-P180 HydrophobicContact CE1-CB 3.95Å; Y157-P180 HydrophobicContact CE1-CG 3.92Å; Y157-P180 HydrophobicContact CE2-CB 4.48Å; Y157-P180 HydrophobicContact CE2-CG 3.66Å; Y157-P180 HydrophobicContact CG-CB 4.16Å; Y157-P180 HydrophobicContact CG-CG 4.11Å; H165-P180 CarbonylContact O-C 3.41Å; H165-P180 WeakPolarHBondContact O-CA 3.29Å; V166-P180 HydrophobicContact CG2-CB 4.28Å |
| 181 | S | 90.6 | Very high | 83.3 | Confident | 55 Ų | 55 | 86.5 Ų | 86.5 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.6 | -179.7 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | C164 H165 | C164-S181 WeakPolarHBondContact CA-O 3.29Å; H165-S181 PolarHBondContact N-O 3.11Å; H165-S181 PolarHBondContact O-N 3.03Å |
| 182 | C | 92.2 | Very high | 83.9 | Confident | 18 Ų | 18 | 82.9 Ų | 82.9 | 12% | 0.122 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.1 | -177.4 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | Y157 C158 | Y157-C182 WeakPolarHBondContact CD1-SG 3.25Å; Y157-C182 VanDerWaalsContact CE1-SG 3.59Å; C158-C182 WeakPolarHBondContact CA-SG 3.34Å; C158-C182 HydrophobicContact CB-CB 3.86Å; C158-C182 WeakPolarHBondContact CB-SG 3.3Å; C158-C182 VanDerWaalsContact SG-CA 3.52Å; C158-C182 WeakPolarHBondContact SG-CB 3.47Å; C158-C182 CovalentContact SG-SG 2.03Å; C158-C182 PolarHBondContact SG-SG 3.49Å |
| 183 | H | 91.7 | Very high | 84.8 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 62% | 0.616 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 111.5 | 168.8 | -175.1 | 86.7 | 0 | 0 | 0 | 109.4 | A162 T163 | A162-H183 WeakPolarHBondContact CA-O 3.44Å; A162-H183 VanDerWaalsContact CB-O 3.3Å; A162-H183 WeakPolarHBondContact CB-O 3.26Å; T163-H183 PolarHBondContact N-O 3.41Å; T163-H183 PolarHBondContact O-N 3.29Å |
| 184 | C | 90.8 | Very high | 86 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 22% | 0.223 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -82 | 141.1 | -168.6 | -56.4 | 0 | 0 | 0 | 0 | 113.3 | W188 C193 | C184-W188 HydrophobicContact CB-CB 4.23Å; C184-W188 VanDerWaalsContact CB-O 3.31Å; C184-W188 WeakPolarHBondContact CB-O 3.26Å; C184-C193 WeakPolarHBondContact CA-SG 3.38Å; C184-C193 HydrophobicContact CB-CB 3.75Å; C184-C193 WeakPolarHBondContact CB-SG 3.27Å; C184-C193 WeakPolarHBondContact SG-CA 3.29Å; C184-C193 WeakPolarHBondContact SG-CB 3.47Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 3.41Å |
| 185 | P | 89.3 | Confident | 86.8 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 32% | 0.318 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 160.8 | 170.2 | 29.6 | -34.5 | 0 | 0 | 0 | 111 | H160 G187 W188 | H160-P185 WeakPolarHBondContact O-CG 3.48Å; P185-G187 PolarHBondContact O-N 2.96Å; P185-W188 HydrophobicContact CG-CB 4.32Å; P185-W188 HydrophobicContact CG-CG 4.29Å; P185-W188 PolarHBondContact O-N 3.23Å |
| 186 | Q | 84.6 | Confident | 87.3 | Confident | 197 Ų | 197 | 71.3 Ų | 71.3 | 92% | 0.921 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 136.7 | -179.2 | -65.7 | -174.9 | -0 | 0 | 0 | 111.9 | W188 | Q186-W188 VanDerWaalsContact C-N 3.31Š|
| 187 | G | 84.2 | Confident | 87.2 | Confident | 29 Ų | 29 | 74.8 Ų | 74.8 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 0.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P185 H196 Y197 | P185-G187 PolarHBondContact O-N 2.96Å; G187-H196 CarbonylContact O-C 3.39Å; G187-H196 VanDerWaalsContact O-CA 3.3Å; G187-H196 WeakPolarHBondContact O-CA 3.27Å; G187-H196 PolarHBondContact O-CD2 3.12Å; G187-Y197 PolarHBondContact O-N 3.09Å |
| 188 | W | 88.8 | Confident | 86.6 | Confident | 78 Ų | 78 | 78 Ų | 78 | 30% | 0.295 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.5 | 174.9 | -65.1 | 87.5 | 0 | 0 | 0 | 113 | H160 C184 P185 Q186 C193 R195 H196 | H160-W188 HydrophobicContact CB-CD2 4.09Å; H160-W188 HydrophobicContact CB-CG 4.36Å; H160-W188 HydrophobicContact CB-CZ2 4.49Å; H160-W188 AromaticContact CD2-CH2 3.7Å; H160-W188 AromaticContact CD2-CZ2 3.78Å; H160-W188 AromaticContact CE1-CE3 3.68Å; H160-W188 AromaticContact CE1-CH2 3.49Å; H160-W188 VanDerWaalsContact CE1-CH2 3.49Å; H160-W188 WeakPolarHBondContact CE1-CH2 3.29Å; H160-W188 AromaticContact CE1-CZ3 3.17Å; H160-W188 WeakPolarHBondContact CE1-CZ3 3.43Å; H160-W188 AromaticContact CG-CD2 3.85Å; H160-W188 AromaticContact CG-CE2 3.84Å; H160-W188 AromaticContact CG-CE3 3.86Å; H160-W188 AromaticContact CG-CH2 3.88Å; H160-W188 AromaticContact CG-CZ2 3.86Å; H160-W188 AromaticContact CG-CZ3 3.89Å; H160-W188 AromaticContact ND1-CD2 3.75Å; H160-W188 AromaticContact ND1-CE3 3.3Å; H160-W188 VanDerWaalsContact ND1-CE3 3.3Å; H160-W188 AromaticContact ND1-CH2 3.75Å; H160-W188 AromaticContact ND1-CZ3 3.32Å; H160-W188 VanDerWaalsContact ND1-CZ3 3.32Å; H160-W188 WeakPolarHBondContact ND1-CZ3 3.42Å; H160-W188 AromaticContact NE2-CH2 3.47Å; H160-W188 WeakPolarHBondContact NE2-CH2 3.4Å; H160-W188 AromaticContact NE2-CZ3 3.69Å; C184-W188 HydrophobicContact CB-CB 4.23Å; C184-W188 VanDerWaalsContact CB-O 3.31Å; C184-W188 WeakPolarHBondContact CB-O 3.26Å; P185-W188 HydrophobicContact CG-CB 4.32Å; P185-W188 HydrophobicContact CG-CG 4.29Å; P185-W188 PolarHBondContact O-N 3.23Å; Q186-W188 VanDerWaalsContact C-N 3.31Å; W188-C193 HydrophobicContact CB-CB 4.23Å; W188-R195 CarbonylContact C-O 3.52Å; W188-R195 VanDerWaalsContact CA-O 3.29Å; W188-R195 WeakPolarHBondContact CA-O 3.49Å; W188-R195 VanDerWaalsContact CE3-C 3.41Å; W188-R195 VanDerWaalsContact CE3-O 3.3Å; W188-H196 HydrophobicContact CD2-CB 4.48Å; W188-H196 AromaticContact CE2-CD2 3.73Å; W188-H196 HydrophobicContact CE3-CB 4.14Å; W188-H196 HydrophobicContact CH2-CB 3.99Å; W188-H196 HydrophobicContact CZ2-CB 4.33Å; W188-H196 AromaticContact CZ2-CD2 3.86Å; W188-H196 HydrophobicContact CZ3-CB 3.87Å; W188-H196 AromaticContact NE1-CD2 3.92Å |
| 189 | E | 86.3 | Confident | 85.5 | Confident | 106 Ų | 106 | 81.6 Ų | 81.6 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 165.7 | -173.2 | -155.1 | -160.8 | 143.2 | 0 | 0 | 110.3 | C193 D194 R195 | E189-C193 CarbonylContact O-C 3.45Å; E189-C193 WeakPolarHBondContact O-CA 3.31Å; E189-D194 PolarHBondContact O-N 3.03Å; E189-R195 HydrophobicContact CB-CB 4.5Å; E189-R195 PolarHBondContact N-O 3.42Å; E189-R195 WeakPolarHBondContact O-CB 3.4Å; E189-R195 PolarHBondContact O-N 3.11Å |
| 190 | G | 84.8 | Confident | 83.8 | Confident | 26 Ų | 26 | 82 Ų | 82 | 27% | 0.268 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 99.3 | 160.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R192 C193 D194 | G190-R192 PolarHBondContact O-N 3.03Å; G190-C193 PolarHBondContact O-N 3Å; G190-D194 WeakPolarHBondContact CA-OD1 3.33Å |
| 191 | T | 87.6 | Confident | 82 | Confident | 116 Ų | 116 | 89 Ų | 89 | 71% | 0.712 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -12.1 | -171.9 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 192 | R | 91.3 | Very high | 80 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 14.4 | 172 | -63.8 | -176.6 | 176.9 | -165.1 | 3.8 | 112.9 | Y157 H159 G190 D194 | Y157-R192 HydrophobicContact CD1-CG 4.46Å; Y157-R192 HydrophobicContact CE1-CG 4.06Å; Y157-R192 WeakPolarHBondContact O-CB 3.48Å; Y157-R192 VanDerWaalsContact O-CD 3.22Å; Y157-R192 WeakPolarHBondContact O-CD 3.3Å; Y157-R192 VanDerWaalsContact O-CG 3.26Å; Y157-R192 WeakPolarHBondContact O-CG 3.42Å; H159-R192 WeakPolarHBondContact CB-O 3.41Å; H159-R192 PolarHBondContact CD2-O 2.95Å; H159-R192 PolarHBondContact N-O 2.9Å; G190-R192 PolarHBondContact O-N 3.03Å; R192-D194 VanDerWaalsContact C-N 3.25Å; R192-D194 PolarHBondContact O-N 3.14Å |
| 193 | C | 90.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 99.8 Ų | 99.8 | 0% | 0 | 50% | 0.503 | C | S | . | . | S | Bend | trans | 58.8 | 38.7 | -172.6 | -42.9 | 0 | 0 | 0 | 0 | 112 | H160 A162 C184 W188 E189 G190 | H160-C193 PolarHBondContact ND1-O 2.75Å; A162-C193 HydrophobicContact CB-CB 4.03Å; A162-C193 WeakPolarHBondContact CB-SG 3.04Å; C184-C193 WeakPolarHBondContact CA-SG 3.38Å; C184-C193 HydrophobicContact CB-CB 3.75Å; C184-C193 WeakPolarHBondContact CB-SG 3.27Å; C184-C193 WeakPolarHBondContact SG-CA 3.29Å; C184-C193 WeakPolarHBondContact SG-CB 3.47Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 3.41Å; W188-C193 HydrophobicContact CB-CB 4.23Å; E189-C193 CarbonylContact O-C 3.45Å; E189-C193 WeakPolarHBondContact O-CA 3.31Å; G190-C193 PolarHBondContact O-N 3Å |
| 194 | D | 90 | Very high | 75.6 | Confident | 70 Ų | 70 | 98.6 Ų | 98.6 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | trans | -77.1 | -14.9 | -175.8 | 53.8 | -67.1 | 0 | 0 | 0 | 114.1 | E189 G190 R192 | E189-D194 PolarHBondContact O-N 3.03Å; G190-D194 WeakPolarHBondContact CA-OD1 3.33Å; R192-D194 VanDerWaalsContact C-N 3.25Å; R192-D194 PolarHBondContact O-N 3.14Å | ||
| 195 | R | 85.9 | Confident | 73.7 | Confident | 156 Ų | 156 | 105 Ų | 105 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.6 | -168.2 | -46.5 | -176.7 | -177.5 | -175.4 | -4.6 | 111.3 | W188 E189 | W188-R195 CarbonylContact C-O 3.52Å; W188-R195 VanDerWaalsContact CA-O 3.29Å; W188-R195 WeakPolarHBondContact CA-O 3.49Å; W188-R195 VanDerWaalsContact CE3-C 3.41Å; W188-R195 VanDerWaalsContact CE3-O 3.3Å; E189-R195 HydrophobicContact CB-CB 4.5Å; E189-R195 PolarHBondContact N-O 3.42Å; E189-R195 WeakPolarHBondContact O-CB 3.4Å; E189-R195 PolarHBondContact O-N 3.11Å |
| 196 | H | 85.5 | Confident | 71.3 | Confident | 111 Ų | 111 | 109.4 Ų | 109.4 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.2 | 173.5 | -171.8 | -100.6 | 0 | 0 | 0 | 110.7 | G187 W188 V198 | G187-H196 CarbonylContact O-C 3.39Å; G187-H196 VanDerWaalsContact O-CA 3.3Å; G187-H196 WeakPolarHBondContact O-CA 3.27Å; G187-H196 PolarHBondContact O-CD2 3.12Å; W188-H196 HydrophobicContact CD2-CB 4.48Å; W188-H196 AromaticContact CE2-CD2 3.73Å; W188-H196 HydrophobicContact CE3-CB 4.14Å; W188-H196 HydrophobicContact CH2-CB 3.99Å; W188-H196 HydrophobicContact CZ2-CB 4.33Å; W188-H196 AromaticContact CZ2-CD2 3.86Å; W188-H196 HydrophobicContact CZ3-CB 3.87Å; W188-H196 AromaticContact NE1-CD2 3.92Å; H196-V198 WeakPolarHBondContact ND1-CG2 3.4Å; H196-V198 PolarHBondContact O-N 2.65Å |
| 197 | Y | 73.4 | Confident | 69.5 | Low | 131 Ų | 131 | 103.6 Ų | 103.6 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | trans | -73.3 | 90.4 | 175.4 | -174.9 | -94.1 | 0 | 0 | 0 | 110.3 | G187 Q199 | G187-Y197 PolarHBondContact O-N 3.09Å; Y197-Q199 HydrophobicContact CD1-CB 4.32Å; Y197-Q199 HydrophobicContact CE1-CB 3.72Å; Y197-Q199 HydrophobicContact CE1-CG 4.06Å; Y197-Q199 PolarHBondContact O-N 3.23Å | ||
| 198 | V | 68.4 | Low | 67.9 | Low | 108 Ų | 108 | 113 Ų | 113 | 66% | 0.655 | 58% | 0.578 | S | S | * | * | trans | -80 | 105.7 | 167 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | H196 A200 | H196-V198 WeakPolarHBondContact ND1-CG2 3.4Å; H196-V198 PolarHBondContact O-N 2.65Å; V198-A200 PolarHBondContact O-N 3.33Å | ||
| 199 | Q | 61 | Low | 65.4 | Low | 109 Ų | 109 | 120.1 Ų | 120.1 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | trans | -65.1 | 97.5 | 173.8 | -166.7 | 173 | 16.4 | 0 | 0 | 109.7 | Y197 F201 | Y197-Q199 HydrophobicContact CD1-CB 4.32Å; Y197-Q199 HydrophobicContact CE1-CB 3.72Å; Y197-Q199 HydrophobicContact CE1-CG 4.06Å; Y197-Q199 PolarHBondContact O-N 3.23Å; Q199-F201 VanDerWaalsContact C-N 3.3Å; Q199-F201 HydrophobicContact CB-CE2 4.06Å; Q199-F201 HydrophobicContact CB-CZ 4.37Å; Q199-F201 HydrophobicContact CG-CD2 4.5Å; Q199-F201 HydrophobicContact CG-CE1 4.37Å; Q199-F201 HydrophobicContact CG-CE2 4.14Å; Q199-F201 HydrophobicContact CG-CZ 4.07Å; Q199-F201 WeakPolarHBondContact O-CD2 3.38Å; Q199-F201 PolarHBondContact O-N 2.71Å | ||
| 200 | A | 52.9 | Low | 63.5 | Low | 73 Ų | 73 | 123.8 Ų | 123.8 | 60% | 0.603 | 63% | 0.629 | S | S | * | * | trans | -70.4 | 86.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V198 Y202 | V198-A200 PolarHBondContact O-N 3.33Å; A200-Y202 WeakPolarHBondContact O-CD2 3.44Å; A200-Y202 PolarHBondContact O-N 3.33Å | ||
| 201 | F | 51.8 | Low | 61.4 | Low | 166 Ų | 166 | 124.9 Ų | 124.9 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | trans | -60 | 105 | 172.9 | -69.6 | -82.1 | 0 | 0 | 0 | 109.6 | Q199 A203 | Q199-F201 VanDerWaalsContact C-N 3.3Å; Q199-F201 HydrophobicContact CB-CE2 4.06Å; Q199-F201 HydrophobicContact CB-CZ 4.37Å; Q199-F201 HydrophobicContact CG-CD2 4.5Å; Q199-F201 HydrophobicContact CG-CE1 4.37Å; Q199-F201 HydrophobicContact CG-CE2 4.14Å; Q199-F201 HydrophobicContact CG-CZ 4.07Å; Q199-F201 WeakPolarHBondContact O-CD2 3.38Å; Q199-F201 PolarHBondContact O-N 2.71Å; F201-A203 PolarHBondContact O-N 3.46Å | ||
| 202 | Y | 48.3 | Very low | 59.4 | Low | 221 Ų | 221 | 129.5 Ų | 129.5 | 87% | 0.867 | 65% | 0.65 | S | S | * | * | trans | -61.2 | 101.7 | 169.2 | -70.3 | -88 | 0 | 0 | 0 | 108.6 | A200 | A200-Y202 WeakPolarHBondContact O-CD2 3.44Å; A200-Y202 PolarHBondContact O-N 3.33Å | ||
| 203 | A | 49.1 | Very low | 57 | Low | 80 Ų | 80 | 131 Ų | 131 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | trans | -57.7 | 123.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | F201 I205 | F201-A203 PolarHBondContact O-N 3.46Å; A203-I205 PolarHBondContact O-N 3.38Å; A203-I205 VanDerWaalsContact O-N 3.09Å | ||
| 204 | P | 43.1 | Very low | 55 | Low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -63.3 | 118.2 | -177.8 | 24.2 | -32.8 | 0 | 0 | 0 | 109.1 | N206 | P204-N206 PolarHBondContact O-N 2.83Š| ||
| 205 | I | 49.9 | Very low | 52.5 | Low | 166 Ų | 166 | 146.4 Ų | 146.4 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -75.1 | 77.4 | 178.8 | -52.4 | 179.6 | 0 | 0 | 0 | 108.3 | A203 G207 | A203-I205 PolarHBondContact O-N 3.38Å; A203-I205 VanDerWaalsContact O-N 3.09Å; I205-G207 PolarHBondContact O-N 3.31Å | ||
| 206 | N | 40.5 | Very low | 50.3 | Low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -63.1 | 97.6 | 171.2 | -82.9 | -17.9 | 0 | 0 | 0 | 108.6 | P204 R208 | P204-N206 PolarHBondContact O-N 2.83Å; N206-R208 PolarHBondContact O-N 3.05Å | ||
| 207 | G | 46.7 | Very low | 48.1 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -71 | 45.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I205 | I205-G207 PolarHBondContact O-N 3.31Š|
| 208 | R | 48.7 | Very low | 46.4 | Very low | 227 Ų | 227 | 146.4 Ų | 146.4 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -146.6 | 78 | 174.5 | -68.6 | -167.1 | -177.8 | -157.1 | 2.9 | 112.2 | N206 | N206-R208 PolarHBondContact O-N 3.05Š| ||
| 209 | Y | 37.1 | Very low | 44.6 | Very low | 227 Ų | 227 | 149.5 Ų | 149.5 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -148.9 | 109.7 | 153.2 | -104.1 | -70.1 | 0 | 0 | 0 | 112.4 | G211 | Y209-G211 VanDerWaalsContact C-N 3.29Å; Y209-G211 PolarHBondContact O-N 3.02Å | ||
| 210 | N | 45.6 | Very low | 43.3 | Very low | 182 Ų | 182 | 151 Ų | 151 | 97% | 0.973 | 78% | 0.777 | S | S | * | * | trans | -75.4 | 85.4 | 160.1 | -90.9 | -22.4 | 0 | 0 | 0 | 108.3 | ||||
| 211 | G | 40.7 | Very low | 42.3 | Very low | 50 Ų | 50 | 153.9 Ų | 153.9 | 52% | 0.515 | 79% | 0.787 | S | S | . | * | trans | -143.2 | 137.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y209 T213 | Y209-G211 VanDerWaalsContact C-N 3.29Å; Y209-G211 PolarHBondContact O-N 3.02Å; G211-T213 PolarHBondContact O-N 3.26Å | ||
| 212 | K | 46.6 | Very low | 41.5 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | -58.1 | 113.3 | -176.6 | -67.9 | 179.8 | 179.6 | 178.2 | 0 | 110.1 | K214 | K212-K214 PolarHBondContact O-N 3.14Š| ||
| 213 | T | 40.2 | Very low | 40.6 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 103 | -175.8 | 38 | 0 | 0 | 0 | 0 | 111.4 | G211 K215 | G211-T213 PolarHBondContact O-N 3.26Å; T213-K215 PolarHBondContact O-N 2.96Å | ||
| 214 | K | 48.8 | Very low | 40 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122.6 | 154.4 | -74.4 | -174 | 175.7 | -178.2 | 0 | 106.9 | K212 | K212-K214 PolarHBondContact O-N 3.14Š|
| 215 | K | 39 | Very low | 39.6 | Very low | 192 Ų | 192 | 155 Ų | 155 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 141.2 | 175.9 | -63.6 | -179.8 | 179.6 | -179 | 0 | 109.2 | T213 L217 | T213-K215 PolarHBondContact O-N 2.96Å; K215-L217 PolarHBondContact O-N 2.94Å |
| 216 | P | 39.3 | Very low | 38.7 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.1 | 173.3 | 26.3 | -33.3 | 0 | 0 | 0 | 109.5 | I218 | P216-I218 PolarHBondContact O-N 3.41Å; P216-I218 VanDerWaalsContact O-N 3.16Å |
| 217 | L | 38.3 | Very low | 38.2 | Very low | 143 Ų | 143 | 155.6 Ų | 155.6 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 101.6 | 170 | -89.8 | 160 | 0 | 0 | 0 | 108.3 | K215 F219 | K215-L217 PolarHBondContact O-N 2.94Å; L217-F219 HydrophobicContact CB-CD2 4.17Å; L217-F219 HydrophobicContact CB-CE2 3.83Å; L217-F219 WeakPolarHBondContact O-CD2 3.29Å; L217-F219 PolarHBondContact O-N 3.37Å; L217-F219 VanDerWaalsContact O-N 3.09Å | ||
| 218 | I | 38.7 | Very low | 37.4 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -72.9 | 98.5 | 171 | -54.7 | 176.8 | 0 | 0 | 0 | 107.3 | P216 M220 | P216-I218 PolarHBondContact O-N 3.41Å; P216-I218 VanDerWaalsContact O-N 3.16Å; I218-M220 VanDerWaalsContact C-N 3.29Å; I218-M220 HydrophobicContact CG2-CG 4.01Å; I218-M220 PolarHBondContact O-N 3.39Å | ||
| 219 | F | 30.8 | Very low | 36.5 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -74.2 | 82.5 | 172.3 | -79.5 | -87.2 | 0 | 0 | 0 | 110.3 | L217 V221 | L217-F219 HydrophobicContact CB-CD2 4.17Å; L217-F219 HydrophobicContact CB-CE2 3.83Å; L217-F219 WeakPolarHBondContact O-CD2 3.29Å; L217-F219 PolarHBondContact O-N 3.37Å; L217-F219 VanDerWaalsContact O-N 3.09Å; F219-V221 PolarHBondContact O-N 3.05Å | ||
| 220 | M | 33.9 | Very low | 36.2 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | -72.8 | 104.6 | 161.9 | -70 | -168.5 | -69.4 | 0 | 0 | 108.6 | I218 H222 | I218-M220 VanDerWaalsContact C-N 3.29Å; I218-M220 HydrophobicContact CG2-CG 4.01Å; I218-M220 PolarHBondContact O-N 3.39Å; M220-H222 VanDerWaalsContact C-N 3.32Å; M220-H222 PolarHBondContact O-N 3.29Å | ||
| 221 | V | 31.4 | Very low | 35.5 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -74.7 | 85.8 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | F219 | F219-V221 PolarHBondContact O-N 3.05Š| ||
| 222 | H | 34.1 | Very low | 35.2 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -70 | 138 | 168.4 | -78.5 | -83.8 | 0 | 0 | 0 | 110.5 | M220 | M220-H222 VanDerWaalsContact C-N 3.32Å; M220-H222 PolarHBondContact O-N 3.29Å | ||
| 223 | H | 29.6 | Very low | 34.4 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -62.7 | 138.3 | 168.6 | -89.8 | -1.5 | 0 | 0 | 0 | 111 | N225 | H223-N225 PolarHBondContact O-N 3Š| ||
| 224 | P | 36.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -82.4 | 79.3 | -176.2 | 33.8 | -35.8 | 0 | 0 | 0 | 111.7 | ||
| 225 | N | 34.5 | Very low | 34.1 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -163.1 | 74.6 | 160 | -113.5 | -20.5 | 0 | 0 | 0 | 114.1 | H223 | H223-N225 PolarHBondContact O-N 3Š| ||
| 226 | Q | 31.9 | Very low | 34.1 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -162.9 | 105.2 | 152.3 | -118.1 | 161 | 71.4 | 0 | 0 | 111.5 | ||||
| 227 | T | 28.8 | Very low | 34.4 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -93.5 | 100.8 | 177.2 | -44.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 228 | I | 31.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -116.1 | 120.7 | 171.8 | -60 | -179.3 | 0 | 0 | 0 | 108.3 | ||||
| 229 | S | 29.3 | Very low | 35.2 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -104.3 | 118.7 | 179.1 | -177.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 230 | T | 29.8 | Very low | 35.9 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -138.4 | 133.3 | 167.9 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 231 | T | 30.7 | Very low | 36.6 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 151.6 | 179.5 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | S233 | T231-S233 PolarHBondContact O-N 3.26Š|
| 232 | P | 34.7 | Very low | 37.6 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 122.8 | -178 | 30.3 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 233 | S | 29.5 | Very low | 38.4 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -102 | 122.8 | 166.4 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | T231 Q235 | T231-S233 PolarHBondContact O-N 3.26Å; S233-Q235 PolarHBondContact O-N 3.49Å |
| 234 | S | 41.4 | Very low | 39.5 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -74.8 | 100 | -177.5 | 170.8 | 0 | 0 | 0 | 0 | 113 | ||
| 235 | Q | 42.5 | Very low | 39.8 | Very low | 171 Ų | 171 | 118.5 Ų | 118.5 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -157.1 | -10 | 164.5 | -127.5 | 145.3 | 95.1 | 0 | 0 | 118.8 | S233 S237 | S233-Q235 PolarHBondContact O-N 3.49Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.03Å | ||
| 236 | D | 39.2 | Very low | 40.6 | Very low | 129 Ų | 129 | 115.7 Ų | 115.7 | 69% | 0.69 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 2.8 | -170 | -60.5 | -54.8 | 0 | 0 | 0 | 116.8 | E238 | D236-E238 PolarHBondContact O-N 3.44Š|
| 237 | S | 45.8 | Very low | 41.5 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 63% | 0.629 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.1 | -23.3 | -169.4 | 45.9 | 0 | 0 | 0 | 0 | 115.5 | Q235 S240 | Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.03Å; S237-S240 PolarHBondContact O-OG 3.3Å |
| 238 | E | 44.2 | Very low | 42.4 | Very low | 149 Ų | 149 | 115.5 Ų | 115.5 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -82.6 | -42.6 | -174.3 | -62.8 | -166.2 | 155 | 0 | 0 | 112.9 | D236 S240 S241 I242 | D236-E238 PolarHBondContact O-N 3.44Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 2.88Å; E238-S241 WeakPolarHBondContact O-CB 3.28Å; E238-S241 PolarHBondContact O-N 2.9Å; E238-S241 VanDerWaalsContact O-N 3.13Å; E238-S241 PolarHBondContact O-OG 3.22Å; E238-I242 PolarHBondContact O-N 3.3Å |
| 239 | I | 49.5 | Very low | 43.1 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 61% | 0.61 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.2 | -38.7 | -175.2 | -58.4 | 174.9 | 0 | 0 | 0 | 111.6 | S241 I242 F243 | I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.44Å; I239-I242 PolarHBondContact O-N 2.9Å; I239-F243 PolarHBondContact O-N 2.98Å |
| 240 | S | 45.6 | Very low | 44.1 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 49% | 0.49 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.7 | -28.9 | 178.7 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | S237 E238 S244 | S237-S240 PolarHBondContact O-OG 3.3Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 2.88Å; S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 2.98Å; S240-S244 PolarHBondContact O-OG 3.07Å |
| 241 | S | 47.6 | Very low | 45 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.4 | -41.2 | 176.8 | 76.9 | 0 | 0 | 0 | 0 | 112.2 | E238 I239 S244 G245 | E238-S241 WeakPolarHBondContact O-CB 3.28Å; E238-S241 PolarHBondContact O-N 2.9Å; E238-S241 VanDerWaalsContact O-N 3.13Å; E238-S241 PolarHBondContact O-OG 3.22Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.44Å; S241-S244 PolarHBondContact O-N 2.87Å; S241-G245 PolarHBondContact O-N 2.89Å |
| 242 | I | 52.2 | Low | 45.6 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 57% | 0.569 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -43.5 | -178.8 | -61.1 | 172.2 | 0 | 0 | 0 | 110.5 | E238 I239 S244 L246 | E238-I242 PolarHBondContact O-N 3.3Å; I239-I242 PolarHBondContact O-N 2.9Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 2.7Å; I242-L246 HydrophobicContact CG2-CD1 4.41Å; I242-L246 PolarHBondContact O-N 3.16Å; I242-L246 VanDerWaalsContact O-N 3.13Å |
| 243 | F | 52.1 | Low | 45.9 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.3 | -38 | 175.1 | -107.1 | -89.3 | 0 | 0 | 0 | 112.5 | I239 L246 Y247 | I239-F243 PolarHBondContact O-N 2.98Å; F243-L246 PolarHBondContact O-N 3.34Å; F243-Y247 PolarHBondContact O-N 2.87Å; F243-Y247 VanDerWaalsContact O-N 3.07Å |
| 244 | S | 51 | Low | 46.7 | Very low | 73 Ų | 73 | 114.9 Ų | 114.9 | 51% | 0.51 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.4 | -45.6 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 112 | S240 S241 I242 L246 Y247 E248 | S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 2.98Å; S240-S244 PolarHBondContact O-OG 3.07Å; S241-S244 PolarHBondContact O-N 2.87Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 2.7Å; S244-L246 VanDerWaalsContact C-N 3.32Å; S244-L246 PolarHBondContact O-N 3.29Å; S244-Y247 WeakPolarHBondContact O-CB 3.45Å; S244-Y247 PolarHBondContact O-N 2.75Å; S244-Y247 VanDerWaalsContact O-N 3.12Å; S244-E248 PolarHBondContact O-N 2.96Å; S244-E248 VanDerWaalsContact O-N 3.11Å |
| 245 | G | 45 | Very low | 47.4 | Very low | 36 Ų | 36 | 115.7 Ų | 115.7 | 37% | 0.371 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.2 | -27.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S241 R249 | S241-G245 PolarHBondContact O-N 2.89Å; G245-R249 PolarHBondContact O-N 3.11Å |
| 246 | L | 50.9 | Low | 47.9 | Very low | 92 Ų | 92 | 110.8 Ų | 110.8 | 48% | 0.482 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.2 | -40.1 | 168.7 | -84.4 | 164.9 | 0 | 0 | 0 | 111.8 | I242 F243 S244 R249 I250 | I242-L246 HydrophobicContact CG2-CD1 4.41Å; I242-L246 PolarHBondContact O-N 3.16Å; I242-L246 VanDerWaalsContact O-N 3.13Å; F243-L246 PolarHBondContact O-N 3.34Å; S244-L246 VanDerWaalsContact C-N 3.32Å; S244-L246 PolarHBondContact O-N 3.29Å; L246-R249 PolarHBondContact O-N 3.15Å; L246-I250 WeakPolarHBondContact O-CG1 3.34Å; L246-I250 PolarHBondContact O-N 3.38Å |
| 247 | Y | 50.3 | Low | 48.6 | Very low | 169 Ų | 169 | 108.6 Ų | 108.6 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.8 | -44.3 | 179.8 | -141.6 | -90.9 | 0 | 0 | 0 | 112 | F243 S244 R249 I250 V251 | F243-Y247 PolarHBondContact O-N 2.87Å; F243-Y247 VanDerWaalsContact O-N 3.07Å; S244-Y247 WeakPolarHBondContact O-CB 3.45Å; S244-Y247 PolarHBondContact O-N 2.75Å; S244-Y247 VanDerWaalsContact O-N 3.12Å; Y247-R249 PolarHBondContact O-N 2.98Å; Y247-I250 PolarHBondContact O-N 2.83Å; Y247-V251 HydrophobicContact CD1-CG2 4.16Å; Y247-V251 HydrophobicContact CE1-CG2 4.34Å; Y247-V251 WeakPolarHBondContact O-CG2 3.37Å; Y247-V251 PolarHBondContact O-N 3.31Å |
| 248 | E | 47.5 | Very low | 49.3 | Very low | 146 Ų | 146 | 110.3 Ų | 110.3 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.8 | -43.7 | 173.7 | -74.5 | -165.1 | 130.2 | 0 | 0 | 112.2 | S244 I250 V251 Q252 | S244-E248 PolarHBondContact O-N 2.96Å; S244-E248 VanDerWaalsContact O-N 3.11Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-I250 PolarHBondContact O-N 3.11Å; E248-V251 PolarHBondContact O-N 3.32Å; E248-Q252 VanDerWaalsContact O-CB 3.27Å; E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 PolarHBondContact O-N 3.08Å |
| 249 | R | 45.3 | Very low | 50.2 | Low | 198 Ų | 198 | 107 Ų | 107 | 75% | 0.747 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.4 | -35.8 | 176.8 | -85.8 | -175.7 | 171.1 | 168.2 | 0.1 | 113.5 | G245 L246 Y247 S253 | G245-R249 PolarHBondContact O-N 3.11Å; L246-R249 PolarHBondContact O-N 3.15Å; Y247-R249 PolarHBondContact O-N 2.98Å; R249-S253 VanDerWaalsContact O-CB 3.27Å; R249-S253 WeakPolarHBondContact O-CB 3.3Å; R249-S253 PolarHBondContact O-N 2.86Å; R249-S253 VanDerWaalsContact O-N 3.14Å |
| 250 | I | 50.9 | Low | 51.1 | Low | 111 Ų | 111 | 104.2 Ų | 104.2 | 57% | 0.569 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.3 | -44 | 177.2 | -68.1 | 164.2 | 0 | 0 | 0 | 110.5 | L246 Y247 E248 S253 S254 | L246-I250 WeakPolarHBondContact O-CG1 3.34Å; L246-I250 PolarHBondContact O-N 3.38Å; Y247-I250 PolarHBondContact O-N 2.83Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-I250 PolarHBondContact O-N 3.11Å; I250-S253 PolarHBondContact O-N 3.13Å; I250-S254 PolarHBondContact O-OG 3.16Å |
| 251 | V | 49 | Very low | 52.4 | Low | 94 Ų | 94 | 107.5 Ų | 107.5 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.9 | -45.4 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Y247 E248 S253 S254 | Y247-V251 HydrophobicContact CD1-CG2 4.16Å; Y247-V251 HydrophobicContact CE1-CG2 4.34Å; Y247-V251 WeakPolarHBondContact O-CG2 3.37Å; Y247-V251 PolarHBondContact O-N 3.31Å; E248-V251 PolarHBondContact O-N 3.32Å; V251-S253 VanDerWaalsContact C-N 3.26Å; V251-S253 PolarHBondContact O-N 3.04Å; V251-S254 VanDerWaalsContact O-CB 3.3Å; V251-S254 WeakPolarHBondContact O-CB 3.23Å; V251-S254 PolarHBondContact O-N 2.93Å; V251-S254 VanDerWaalsContact O-N 3.08Å |
| 252 | Q | 42.8 | Very low | 53.8 | Low | 161 Ų | 161 | 106.6 Ų | 106.6 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.7 | -17 | -177.7 | -157 | 168.2 | 28.4 | 0 | 0 | 113.6 | E248 S254 | E248-Q252 VanDerWaalsContact O-CB 3.27Å; E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 PolarHBondContact O-N 3.08Å; Q252-S254 VanDerWaalsContact C-N 3.34Å |
| 253 | S | 42.4 | Very low | 55 | Low | 92 Ų | 92 | 107.5 Ų | 107.5 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -12.7 | 170.5 | -169.7 | 0 | 0 | 0 | 0 | 113.5 | R249 I250 V251 T255 | R249-S253 VanDerWaalsContact O-CB 3.27Å; R249-S253 WeakPolarHBondContact O-CB 3.3Å; R249-S253 PolarHBondContact O-N 2.86Å; R249-S253 VanDerWaalsContact O-N 3.14Å; I250-S253 PolarHBondContact O-N 3.13Å; V251-S253 VanDerWaalsContact C-N 3.26Å; V251-S253 PolarHBondContact O-N 3.04Å; S253-T255 PolarHBondContact O-N 2.96Å |
| 254 | S | 46.2 | Very low | 56.5 | Low | 71 Ų | 71 | 106 Ų | 106 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | trans | -79.8 | 22.3 | -168.5 | -63.2 | 0 | 0 | 0 | 0 | 115.4 | I250 V251 Q252 S256 | I250-S254 PolarHBondContact O-OG 3.16Å; V251-S254 VanDerWaalsContact O-CB 3.3Å; V251-S254 WeakPolarHBondContact O-CB 3.23Å; V251-S254 PolarHBondContact O-N 2.93Å; V251-S254 VanDerWaalsContact O-N 3.08Å; Q252-S254 VanDerWaalsContact C-N 3.34Å; S254-S256 VanDerWaalsContact C-N 3.34Å; S254-S256 PolarHBondContact O-N 2.83Å; S254-S256 VanDerWaalsContact O-N 3.15Å | ||
| 255 | T | 54.8 | Low | 58.2 | Low | 130 Ų | 130 | 106 Ų | 106 | 80% | 0.798 | 58% | 0.58 | S | S | * | * | trans | -86.3 | 56.6 | 179.1 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | S253 | S253-T255 PolarHBondContact O-N 2.96Š| ||
| 256 | S | 53 | Low | 60.2 | Low | 68 Ų | 68 | 108.4 Ų | 108.4 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -167.8 | 160.2 | 157.5 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | S254 I258 P259 | S254-S256 VanDerWaalsContact C-N 3.34Å; S254-S256 PolarHBondContact O-N 2.83Å; S254-S256 VanDerWaalsContact O-N 3.15Å; S256-I258 PolarHBondContact O-N 3.14Å; S256-I258 WeakPolarHBondContact OG-CD1 3.41Å; S256-P259 VanDerWaalsContact O-CD 3.23Å; S256-P259 WeakPolarHBondContact O-CD 3.2Å |
| 257 | A | 55.3 | Low | 61.8 | Low | 83 Ų | 83 | 107.3 Ų | 107.3 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -68 | 10.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | F261 | A257-F261 PolarHBondContact O-N 3.48Å; A257-F261 VanDerWaalsContact O-N 3.16Å |
| 258 | I | 59.2 | Low | 63.6 | Low | 125 Ų | 125 | 104.1 Ų | 104.1 | 64% | 0.641 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.2 | -47.6 | -175.1 | -57 | 175.1 | 0 | 0 | 0 | 113.7 | S256 F261 A262 | S256-I258 PolarHBondContact O-N 3.14Å; S256-I258 WeakPolarHBondContact OG-CD1 3.41Å; I258-F261 PolarHBondContact O-N 3.22Å; I258-A262 PolarHBondContact O-N 3.37Å |
| 259 | P | 64.4 | Low | 65.7 | Low | 80 Ų | 80 | 101.9 Ų | 101.9 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.9 | -32.1 | -177.2 | 28.5 | -32.4 | 0 | 0 | 0 | 112.3 | S256 A262 F263 | S256-P259 VanDerWaalsContact O-CD 3.23Å; S256-P259 WeakPolarHBondContact O-CD 3.2Å; P259-A262 PolarHBondContact O-N 3.23Å; P259-F263 PolarHBondContact O-N 3.47Å |
| 260 | A | 68.1 | Low | 67.9 | Low | 60 Ų | 60 | 96.7 Ų | 96.7 | 50% | 0.496 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A262 F263 L264 | A260-A262 VanDerWaalsContact C-N 3.35Å; A260-A262 PolarHBondContact O-N 3.4Å; A260-F263 PolarHBondContact O-N 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.34Å |
| 261 | F | 71.9 | Confident | 69.8 | Low | 140 Ų | 140 | 97.8 Ų | 97.8 | 61% | 0.614 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.1 | -37.8 | 175.4 | -169.8 | -112.2 | 0 | 0 | 0 | 112.3 | A257 I258 L264 I265 | A257-F261 PolarHBondContact O-N 3.48Å; A257-F261 VanDerWaalsContact O-N 3.16Å; I258-F261 PolarHBondContact O-N 3.22Å; F261-L264 PolarHBondContact O-N 3.09Å; F261-I265 HydrophobicContact CD1-CD1 3.77Å; F261-I265 HydrophobicContact CE1-CD1 3.52Å; F261-I265 HydrophobicContact CE1-CG1 4.45Å; F261-I265 HydrophobicContact CZ-CD1 4.06Å; F261-I265 WeakPolarHBondContact O-CG1 3.12Å; F261-I265 PolarHBondContact O-N 2.82Å |
| 262 | A | 77.3 | Confident | 71.8 | Confident | 51 Ų | 51 | 97.5 Ų | 97.5 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I258 P259 A260 I265 V266 | I258-A262 PolarHBondContact O-N 3.37Å; P259-A262 PolarHBondContact O-N 3.23Å; A260-A262 VanDerWaalsContact C-N 3.35Å; A260-A262 PolarHBondContact O-N 3.4Å; A262-I265 PolarHBondContact O-N 2.87Å; A262-V266 WeakPolarHBondContact O-CG2 3.28Å; A262-V266 PolarHBondContact O-N 3.44Å |
| 263 | F | 78 | Confident | 74 | Confident | 130 Ų | 130 | 93.6 Ų | 93.6 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 176.3 | -171.5 | -95.2 | 0 | 0 | 0 | 112.2 | P259 A260 I265 V266 M267 | P259-F263 PolarHBondContact O-N 3.47Å; A260-F263 PolarHBondContact O-N 3.3Å; F263-I265 VanDerWaalsContact C-N 3.33Å; F263-I265 PolarHBondContact O-N 3.31Å; F263-V266 PolarHBondContact O-N 2.81Å; F263-M267 HydrophobicContact CD1-CG 3.93Å; F263-M267 HydrophobicContact CE1-CG 3.56Å; F263-M267 HydrophobicContact CE1-SD 4.19Å; F263-M267 HydrophobicContact CZ-CE 4.28Å; F263-M267 HydrophobicContact CZ-CG 3.99Å; F263-M267 HydrophobicContact CZ-SD 4.12Å; F263-M267 WeakPolarHBondContact O-CG 3.38Å; F263-M267 PolarHBondContact O-N 3.09Å |
| 264 | L | 83.5 | Confident | 76.3 | Confident | 115 Ų | 115 | 93.6 Ų | 93.6 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -37.4 | 174.8 | -70.8 | 174.3 | 0 | 0 | 0 | 112.5 | A260 F261 L268 | A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.34Å; F261-L264 PolarHBondContact O-N 3.09Å; L264-L268 VanDerWaalsContact O-CB 3.28Å; L264-L268 WeakPolarHBondContact O-CB 3.32Å; L264-L268 PolarHBondContact O-N 3.45Å |
| 265 | I | 85.6 | Confident | 78.4 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 38% | 0.379 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 173.3 | -72.7 | 167.2 | 0 | 0 | 0 | 111.1 | F261 A262 F263 L268 I269 | F261-I265 HydrophobicContact CD1-CD1 3.77Å; F261-I265 HydrophobicContact CE1-CD1 3.52Å; F261-I265 HydrophobicContact CE1-CG1 4.45Å; F261-I265 HydrophobicContact CZ-CD1 4.06Å; F261-I265 WeakPolarHBondContact O-CG1 3.12Å; F261-I265 PolarHBondContact O-N 2.82Å; A262-I265 PolarHBondContact O-N 2.87Å; F263-I265 VanDerWaalsContact C-N 3.33Å; F263-I265 PolarHBondContact O-N 3.31Å; I265-L268 PolarHBondContact O-N 3.04Å; I265-I269 HydrophobicContact CG2-CD1 3.72Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.16Å; I265-I269 PolarHBondContact O-N 3.11Å |
| 266 | V | 87.4 | Confident | 80 | Confident | 86 Ų | 86 | 90.9 Ų | 90.9 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | A262 F263 I269 M270 | A262-V266 WeakPolarHBondContact O-CG2 3.28Å; A262-V266 PolarHBondContact O-N 3.44Å; F263-V266 PolarHBondContact O-N 2.81Å; V266-I269 PolarHBondContact O-N 2.84Å; V266-M270 WeakPolarHBondContact O-CB 3.23Å; V266-M270 PolarHBondContact O-N 3.49Å |
| 267 | M | 86 | Confident | 81.6 | Confident | 69 Ų | 69 | 94.7 Ų | 94.7 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.7 | -70.9 | -67.5 | 100.2 | 0 | 0 | 112.5 | F263 M270 F271 | F263-M267 HydrophobicContact CD1-CG 3.93Å; F263-M267 HydrophobicContact CE1-CG 3.56Å; F263-M267 HydrophobicContact CE1-SD 4.19Å; F263-M267 HydrophobicContact CZ-CE 4.28Å; F263-M267 HydrophobicContact CZ-CG 3.99Å; F263-M267 HydrophobicContact CZ-SD 4.12Å; F263-M267 WeakPolarHBondContact O-CG 3.38Å; F263-M267 PolarHBondContact O-N 3.09Å; M267-M270 HydrophobicContact CE-CE 3.99Å; M267-M270 HydrophobicContact CE-SD 3.94Å; M267-M270 PolarHBondContact O-N 3.37Å; M267-M270 HydrophobicContact SD-CE 4.02Å; M267-F271 WeakPolarHBondContact O-CB 3.26Å; M267-F271 PolarHBondContact O-N 3Å |
| 268 | L | 88.2 | Confident | 82.7 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.7 | -177.9 | 65.1 | 0 | 0 | 0 | 111.9 | L264 I265 F271 I272 | L264-L268 VanDerWaalsContact O-CB 3.28Å; L264-L268 WeakPolarHBondContact O-CB 3.32Å; L264-L268 PolarHBondContact O-N 3.45Å; I265-L268 PolarHBondContact O-N 3.04Å; L268-F271 PolarHBondContact O-N 3.5Å; L268-I272 HydrophobicContact CD1-CD1 4.16Å; L268-I272 HydrophobicContact CG-CD1 3.96Å; L268-I272 WeakPolarHBondContact O-CB 3.48Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.38Å; L268-I272 PolarHBondContact O-N 3.32Å |
| 269 | I | 90.9 | Very high | 83.7 | Confident | 99 Ų | 99 | 95.2 Ų | 95.2 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 175.6 | -69.4 | 166.3 | 0 | 0 | 0 | 110.2 | I265 V266 F271 I272 T273 | I265-I269 HydrophobicContact CG2-CD1 3.72Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.16Å; I265-I269 PolarHBondContact O-N 3.11Å; V266-I269 PolarHBondContact O-N 2.84Å; I269-F271 PolarHBondContact O-N 3.36Å; I269-I272 PolarHBondContact O-N 2.85Å; I269-T273 WeakPolarHBondContact O-CG2 3.21Å; I269-T273 PolarHBondContact O-N 3.3Å; I269-T273 PolarHBondContact O-OG1 2.75Å |
| 270 | M | 90.3 | Very high | 84.1 | Confident | 89 Ų | 89 | 100.3 Ų | 100.3 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.7 | -171.2 | -171.1 | 80 | 0 | 0 | 112 | V266 M267 T273 I274 | V266-M270 WeakPolarHBondContact O-CB 3.23Å; V266-M270 PolarHBondContact O-N 3.49Å; M267-M270 HydrophobicContact CE-CE 3.99Å; M267-M270 HydrophobicContact CE-SD 3.94Å; M267-M270 PolarHBondContact O-N 3.37Å; M267-M270 HydrophobicContact SD-CE 4.02Å; M270-T273 PolarHBondContact O-N 3.27Å; M270-T273 PolarHBondContact O-OG1 2.76Å; M270-I274 HydrophobicContact CE-CD1 4.21Å; M270-I274 HydrophobicContact CG-CD1 3.94Å; M270-I274 WeakPolarHBondContact O-CB 3.41Å; M270-I274 WeakPolarHBondContact O-CD1 3.42Å; M270-I274 VanDerWaalsContact O-CG1 3.22Å; M270-I274 WeakPolarHBondContact O-CG1 3.39Å; M270-I274 PolarHBondContact O-N 3.35Å |
| 271 | F | 90.9 | Very high | 84.5 | Confident | 133 Ų | 133 | 103.8 Ų | 103.8 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 175.5 | -179.2 | -101.3 | 0 | 0 | 0 | 111.5 | M267 L268 I269 T273 I274 V275 | M267-F271 WeakPolarHBondContact O-CB 3.26Å; M267-F271 PolarHBondContact O-N 3Å; L268-F271 PolarHBondContact O-N 3.5Å; I269-F271 PolarHBondContact O-N 3.36Å; F271-T273 PolarHBondContact O-N 2.87Å; F271-I274 PolarHBondContact O-N 2.98Å; F271-V275 HydrophobicContact CD1-CG2 4.26Å; F271-V275 HydrophobicContact CE1-CG2 3.88Å; F271-V275 HydrophobicContact CE2-CG2 4.14Å; F271-V275 HydrophobicContact CZ-CG2 3.82Å; F271-V275 WeakPolarHBondContact O-CB 3.24Å; F271-V275 WeakPolarHBondContact O-CG2 3.37Å; F271-V275 PolarHBondContact O-N 2.9Å |
| 272 | I | 90.9 | Very high | 84 | Confident | 88 Ų | 88 | 102.1 Ų | 102.1 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 176.9 | -68.8 | 165.6 | 0 | 0 | 0 | 111.2 | L268 I269 V275 V276 | L268-I272 HydrophobicContact CD1-CD1 4.16Å; L268-I272 HydrophobicContact CG-CD1 3.96Å; L268-I272 WeakPolarHBondContact O-CB 3.48Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.38Å; L268-I272 PolarHBondContact O-N 3.32Å; I269-I272 PolarHBondContact O-N 2.85Å; I272-V275 PolarHBondContact O-N 2.9Å; I272-V276 HydrophobicContact CG2-CG2 4.29Å; I272-V276 WeakPolarHBondContact O-CB 3.46Å; I272-V276 VanDerWaalsContact O-CG2 3.29Å; I272-V276 WeakPolarHBondContact O-CG2 3.36Å; I272-V276 PolarHBondContact O-N 3.42Å |
| 273 | T | 89.4 | Confident | 83.1 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 49% | 0.485 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | I269 M270 F271 Y277 | I269-T273 WeakPolarHBondContact O-CG2 3.21Å; I269-T273 PolarHBondContact O-N 3.3Å; I269-T273 PolarHBondContact O-OG1 2.75Å; M270-T273 PolarHBondContact O-N 3.27Å; M270-T273 PolarHBondContact O-OG1 2.76Å; F271-T273 PolarHBondContact O-N 2.87Å; T273-Y277 WeakPolarHBondContact O-CB 3.28Å; T273-Y277 PolarHBondContact O-N 3.07Å |
| 274 | I | 90.6 | Very high | 82 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 172.5 | -70.1 | 165.5 | 0 | 0 | 0 | 110.9 | M270 F271 Y277 A278 | M270-I274 HydrophobicContact CE-CD1 4.21Å; M270-I274 HydrophobicContact CG-CD1 3.94Å; M270-I274 WeakPolarHBondContact O-CB 3.41Å; M270-I274 WeakPolarHBondContact O-CD1 3.42Å; M270-I274 VanDerWaalsContact O-CG1 3.22Å; M270-I274 WeakPolarHBondContact O-CG1 3.39Å; M270-I274 PolarHBondContact O-N 3.35Å; F271-I274 PolarHBondContact O-N 2.98Å; I274-Y277 PolarHBondContact O-N 3.41Å; I274-A278 VanDerWaalsContact O-CB 3.29Å; I274-A278 WeakPolarHBondContact O-CB 3.47Å; I274-A278 PolarHBondContact O-N 3.01Å |
| 275 | V | 89.9 | Confident | 80.5 | Confident | 72 Ų | 72 | 103 Ų | 103 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 178.6 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | F271 I272 A278 Y279 | F271-V275 HydrophobicContact CD1-CG2 4.26Å; F271-V275 HydrophobicContact CE1-CG2 3.88Å; F271-V275 HydrophobicContact CE2-CG2 4.14Å; F271-V275 HydrophobicContact CZ-CG2 3.82Å; F271-V275 WeakPolarHBondContact O-CB 3.24Å; F271-V275 WeakPolarHBondContact O-CG2 3.37Å; F271-V275 PolarHBondContact O-N 2.9Å; I272-V275 PolarHBondContact O-N 2.9Å; V275-A278 PolarHBondContact O-N 3.27Å; V275-Y279 VanDerWaalsContact O-CB 3.26Å; V275-Y279 WeakPolarHBondContact O-CB 3.27Å; V275-Y279 PolarHBondContact O-N 3.39Å |
| 276 | V | 88.6 | Confident | 79 | Confident | 72 Ų | 72 | 102.7 Ų | 102.7 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -36.1 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | I272 R280 | I272-V276 HydrophobicContact CG2-CG2 4.29Å; I272-V276 WeakPolarHBondContact O-CB 3.46Å; I272-V276 VanDerWaalsContact O-CG2 3.29Å; I272-V276 WeakPolarHBondContact O-CG2 3.36Å; I272-V276 PolarHBondContact O-N 3.42Å; V276-R280 WeakPolarHBondContact O-CB 3.44Å; V276-R280 PolarHBondContact O-N 2.89Å |
| 277 | Y | 86.4 | Confident | 77.1 | Confident | 148 Ų | 148 | 103.1 Ų | 103.1 | 58% | 0.58 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.1 | -46.5 | 173.5 | 174.6 | -97 | 0 | 0 | 0 | 111.5 | T273 I274 R280 R281 | T273-Y277 WeakPolarHBondContact O-CB 3.28Å; T273-Y277 PolarHBondContact O-N 3.07Å; I274-Y277 PolarHBondContact O-N 3.41Å; Y277-R280 PolarHBondContact O-N 3.38Å; Y277-R281 VanDerWaalsContact O-CB 3.25Å; Y277-R281 WeakPolarHBondContact O-CB 3.46Å; Y277-R281 PolarHBondContact O-N 3.02Å |
| 278 | A | 79.6 | Confident | 75.4 | Confident | 45 Ų | 45 | 104.1 Ų | 104.1 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | I274 V275 R281 M282 | I274-A278 VanDerWaalsContact O-CB 3.29Å; I274-A278 WeakPolarHBondContact O-CB 3.47Å; I274-A278 PolarHBondContact O-N 3.01Å; V275-A278 PolarHBondContact O-N 3.27Å; A278-R281 PolarHBondContact O-N 3.11Å; A278-M282 WeakPolarHBondContact O-CB 3.27Å; A278-M282 VanDerWaalsContact O-CG 3.29Å; A278-M282 WeakPolarHBondContact O-CG 3.37Å; A278-M282 PolarHBondContact O-N 3.49Å |
| 279 | Y | 79.1 | Confident | 73.3 | Confident | 174 Ų | 174 | 105.2 Ų | 105.2 | 68% | 0.682 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 177.1 | -172.5 | -97.7 | 0 | 0 | 0 | 112.1 | V275 M282 S283 | V275-Y279 VanDerWaalsContact O-CB 3.26Å; V275-Y279 WeakPolarHBondContact O-CB 3.27Å; V275-Y279 PolarHBondContact O-N 3.39Å; Y279-M282 PolarHBondContact O-N 3.32Å; Y279-S283 WeakPolarHBondContact O-CB 3.49Å; Y279-S283 PolarHBondContact O-N 3Å |
| 280 | R | 74.1 | Confident | 71.4 | Confident | 188 Ų | 188 | 104.9 Ų | 104.9 | 71% | 0.709 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -38.8 | 173.8 | -82.9 | -177.1 | 158.5 | -179.7 | -6.1 | 112.9 | V276 Y277 M282 K284 | V276-R280 WeakPolarHBondContact O-CB 3.44Å; V276-R280 PolarHBondContact O-N 2.89Å; Y277-R280 PolarHBondContact O-N 3.38Å; R280-M282 VanDerWaalsContact C-N 3.34Å; R280-K284 WeakPolarHBondContact O-CB 3.39Å; R280-K284 PolarHBondContact O-N 3.34Å |
| 281 | R | 75.3 | Confident | 69.1 | Low | 133 Ų | 133 | 108.7 Ų | 108.7 | 50% | 0.502 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 177 | -173.8 | 175.9 | -178.1 | -175.5 | 0.6 | 112.2 | Y277 A278 R285 | Y277-R281 VanDerWaalsContact O-CB 3.25Å; Y277-R281 WeakPolarHBondContact O-CB 3.46Å; Y277-R281 PolarHBondContact O-N 3.02Å; A278-R281 PolarHBondContact O-N 3.11Å; R281-R285 WeakPolarHBondContact O-CG 3.45Å; R281-R285 PolarHBondContact O-N 2.92Å |
| 282 | M | 62.5 | Low | 66.9 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.8 | -44 | 174.9 | -67.9 | -59.7 | -72.8 | 0 | 0 | 111.7 | A278 Y279 R280 K284 R285 S286 | A278-M282 WeakPolarHBondContact O-CB 3.27Å; A278-M282 VanDerWaalsContact O-CG 3.29Å; A278-M282 WeakPolarHBondContact O-CG 3.37Å; A278-M282 PolarHBondContact O-N 3.49Å; Y279-M282 PolarHBondContact O-N 3.32Å; R280-M282 VanDerWaalsContact C-N 3.34Å; M282-K284 VanDerWaalsContact C-N 3.32Å; M282-K284 PolarHBondContact O-N 2.91Å; M282-R285 CarbonylContact O-C 3.59Å; M282-R285 WeakPolarHBondContact O-CA 3.45Å; M282-R285 WeakPolarHBondContact O-CB 3.27Å; M282-R285 PolarHBondContact O-N 2.97Å; M282-S286 PolarHBondContact O-N 2.58Å; M282-S286 PolarHBondContact O-OG 2.95Å |
| 283 | S | 58.7 | Low | 64.5 | Low | 43 Ų | 43 | 108.5 Ų | 108.5 | 30% | 0.301 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -52.9 | -50.5 | 171.8 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | Y279 R285 S286 D287 | Y279-S283 WeakPolarHBondContact O-CB 3.49Å; Y279-S283 PolarHBondContact O-N 3Å; S283-R285 PolarHBondContact O-N 3.44Å; S283-S286 CarbonylContact O-C 3.57Å; S283-S286 WeakPolarHBondContact O-CA 3.33Å; S283-S286 VanDerWaalsContact O-CB 3.26Å; S283-S286 WeakPolarHBondContact O-CB 3.47Å; S283-S286 PolarHBondContact O-N 3.48Å; S283-D287 VanDerWaalsContact C-OD2 3.27Å; S283-D287 PolarHBondContact O-N 3.26Å; S283-D287 PolarHBondContact OG-OD2 3.09Å |
| 284 | K | 53.8 | Low | 62.4 | Low | 133 Ų | 133 | 108.9 Ų | 108.9 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.9 | -36.9 | 178.4 | -174.3 | 168.3 | -178.3 | 177.4 | 0 | 112.7 | R280 M282 D287 D288 | R280-K284 WeakPolarHBondContact O-CB 3.39Å; R280-K284 PolarHBondContact O-N 3.34Å; M282-K284 VanDerWaalsContact C-N 3.32Å; M282-K284 PolarHBondContact O-N 2.91Å; K284-D287 PolarHBondContact O-N 3.19Å; K284-D288 VanDerWaalsContact O-CB 3.29Å; K284-D288 WeakPolarHBondContact O-CB 3.42Å; K284-D288 PolarHBondContact O-N 3.35Å |
| 285 | R | 52.7 | Low | 60.4 | Low | 139 Ų | 139 | 111.7 Ų | 111.7 | 53% | 0.525 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 171.6 | -74.7 | 169.6 | 165 | 171.3 | -10.4 | 112.7 | R281 M282 S283 M289 | R281-R285 WeakPolarHBondContact O-CG 3.45Å; R281-R285 PolarHBondContact O-N 2.92Å; M282-R285 CarbonylContact O-C 3.59Å; M282-R285 WeakPolarHBondContact O-CA 3.45Å; M282-R285 WeakPolarHBondContact O-CB 3.27Å; M282-R285 PolarHBondContact O-N 2.97Å; S283-R285 PolarHBondContact O-N 3.44Å; R285-M289 WeakPolarHBondContact O-CB 3.35Å; R285-M289 PolarHBondContact O-N 3.06Å |
| 286 | S | 53 | Low | 58 | Low | 66 Ų | 66 | 116 Ų | 116 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.8 | -43.8 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | M282 S283 T290 | M282-S286 PolarHBondContact O-N 2.58Å; M282-S286 PolarHBondContact O-OG 2.95Å; S283-S286 CarbonylContact O-C 3.57Å; S283-S286 WeakPolarHBondContact O-CA 3.33Å; S283-S286 VanDerWaalsContact O-CB 3.26Å; S283-S286 WeakPolarHBondContact O-CB 3.47Å; S283-S286 PolarHBondContact O-N 3.48Å; S286-T290 VanDerWaalsContact O-CB 3.28Å; S286-T290 WeakPolarHBondContact O-CB 3.15Å; S286-T290 PolarHBondContact O-N 3.01Å; S286-T290 PolarHBondContact O-OG1 3.41Å |
| 287 | D | 49.1 | Very low | 55.6 | Low | 96 Ų | 96 | 117 Ų | 117 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.1 | -51.2 | 179.1 | -58.4 | -44.6 | 0 | 0 | 0 | 110.2 | S283 K284 M289 T290 Y291 | S283-D287 VanDerWaalsContact C-OD2 3.27Å; S283-D287 PolarHBondContact O-N 3.26Å; S283-D287 PolarHBondContact OG-OD2 3.09Å; K284-D287 PolarHBondContact O-N 3.19Å; D287-M289 PolarHBondContact O-N 3.4Å; D287-T290 PolarHBondContact O-N 3.38Å; D287-Y291 WeakPolarHBondContact O-CB 3.36Å; D287-Y291 PolarHBondContact O-N 3.43Å |
| 288 | D | 48.5 | Very low | 53.5 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.3 | -43.6 | 175.6 | -69.7 | -28.1 | 0 | 0 | 0 | 111.4 | K284 Y291 T292 | K284-D288 VanDerWaalsContact O-CB 3.29Å; K284-D288 WeakPolarHBondContact O-CB 3.42Å; K284-D288 PolarHBondContact O-N 3.35Å; D288-Y291 PolarHBondContact O-N 3.47Å; D288-T292 WeakPolarHBondContact O-CG2 3.29Å; D288-T292 PolarHBondContact O-N 3.48Å; D288-T292 PolarHBondContact O-OG1 3.4Å |
| 289 | M | 45.8 | Very low | 52 | Low | 126 Ų | 126 | 118.6 Ų | 118.6 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.5 | -42.1 | -179.7 | -176.8 | 168.6 | 169.8 | 0 | 0 | 112.2 | R285 D287 Y291 T292 M293 | R285-M289 WeakPolarHBondContact O-CB 3.35Å; R285-M289 PolarHBondContact O-N 3.06Å; D287-M289 PolarHBondContact O-N 3.4Å; M289-Y291 VanDerWaalsContact C-N 3.32Å; M289-Y291 PolarHBondContact O-N 2.91Å; M289-T292 WeakPolarHBondContact CA-OG1 3.36Å; M289-T292 PolarHBondContact O-N 3.05Å; M289-T292 PolarHBondContact O-OG1 2.87Å; M289-M293 PolarHBondContact O-N 3.36Å |
| 290 | T | 50.1 | Low | 50.2 | Low | 93 Ų | 93 | 118.3 Ų | 118.3 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.6 | -39.8 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | S286 D287 M293 S294 | S286-T290 VanDerWaalsContact O-CB 3.28Å; S286-T290 WeakPolarHBondContact O-CB 3.15Å; S286-T290 PolarHBondContact O-N 3.01Å; S286-T290 PolarHBondContact O-OG1 3.41Å; D287-T290 PolarHBondContact O-N 3.38Å; T290-M293 PolarHBondContact O-N 3.47Å; T290-S294 PolarHBondContact O-N 3.01Å |
| 291 | Y | 41.4 | Very low | 48.7 | Very low | 169 Ų | 169 | 113.3 Ų | 113.3 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.9 | -46.4 | 173.6 | -168.8 | -106.2 | 0 | 0 | 0 | 111.2 | D287 D288 M289 S294 | D287-Y291 WeakPolarHBondContact O-CB 3.36Å; D287-Y291 PolarHBondContact O-N 3.43Å; D288-Y291 PolarHBondContact O-N 3.47Å; M289-Y291 VanDerWaalsContact C-N 3.32Å; M289-Y291 PolarHBondContact O-N 2.91Å; Y291-S294 PolarHBondContact O-N 2.84Å; Y291-S294 PolarHBondContact O-OG 2.95Å |
| 292 | T | 46 | Very low | 47 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 53% | 0.534 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.3 | -35.8 | 176 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | D288 M289 H295 | D288-T292 WeakPolarHBondContact O-CG2 3.29Å; D288-T292 PolarHBondContact O-N 3.48Å; D288-T292 PolarHBondContact O-OG1 3.4Å; M289-T292 WeakPolarHBondContact CA-OG1 3.36Å; M289-T292 PolarHBondContact O-N 3.05Å; M289-T292 PolarHBondContact O-OG1 2.87Å; T292-H295 PolarHBondContact O-N 3.39Å |
| 293 | M | 39.9 | Very low | 46.1 | Very low | 129 Ų | 129 | 118 Ų | 118 | 64% | 0.635 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.5 | -40.8 | 174.8 | -83.5 | -171.5 | 67.3 | 0 | 0 | 112.1 | M289 T290 H295 M296 | M289-M293 PolarHBondContact O-N 3.36Å; T290-M293 PolarHBondContact O-N 3.47Å; M293-H295 PolarHBondContact O-N 3.42Å; M293-H295 VanDerWaalsContact O-N 3.12Å; M293-M296 PolarHBondContact O-N 3.1Å |
| 294 | S | 46.1 | Very low | 45.3 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.7 | -18.9 | -178 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | T290 Y291 | T290-S294 PolarHBondContact O-N 3.01Å; Y291-S294 PolarHBondContact O-N 2.84Å; Y291-S294 PolarHBondContact O-OG 2.95Å |
| 295 | H | 47.4 | Very low | 44.6 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 70% | 0.704 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 3.8 | -174.3 | -137.4 | -60.5 | 0 | 0 | 0 | 114.3 | T292 M293 | T292-H295 PolarHBondContact O-N 3.39Å; M293-H295 PolarHBondContact O-N 3.42Å; M293-H295 VanDerWaalsContact O-N 3.12Å |
| 296 | M | 39.9 | Very low | 43.9 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 79% | 0.793 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -109.9 | -1 | -176 | -79.7 | -72.8 | 164.9 | 0 | 0 | 114.6 | M293 | M293-M296 PolarHBondContact O-N 3.1Š|
| 297 | C | 38.4 | Very low | 43.3 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 64% | 0.635 | 69% | 0.69 | S | S | * | * | trans | -96.3 | 118.8 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 298 | P | 41.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 62% | 0.623 | 71% | 0.706 | S | S | * | * | trans | -67.7 | 141.5 | 166.3 | 28.9 | -33.1 | 0 | 0 | 0 | 110.2 | E300 | P298-E300 PolarHBondContact O-N 3.3Š| ||
| 299 | P | 48.2 | Very low | 42.7 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 10.2 | -163.9 | 29.5 | -36.9 | 0 | 0 | 0 | 116.4 | ||
| 300 | E | 42.3 | Very low | 42.6 | Very low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -14.6 | -171.1 | -58.9 | -168 | 148.7 | 0 | 0 | 114.6 | P298 F302 | P298-E300 PolarHBondContact O-N 3.3Å; E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 2.6Å |
| 301 | A | 42.6 | Very low | 41.9 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -11 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 302 | F | 39.9 | Very low | 41.7 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 82% | 0.82 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 8.6 | -168.8 | -93.2 | -77.9 | 0 | 0 | 0 | 116.4 | E300 | E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 2.6Å |
| 303 | N | 43.2 | Very low | 41.4 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -102.8 | 12.1 | -174.8 | -78.4 | -34.9 | 0 | 0 | 0 | 116 | ||
| 304 | V | 42.6 | Very low | 41.2 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -129.8 | 65.4 | -179.2 | -162.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 305 | L | 37.3 | Very low | 40.7 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -132.7 | 74.7 | 162.7 | -100.4 | 152.1 | 0 | 0 | 0 | 109.6 | T307 | L305-T307 PolarHBondContact O-N 2.8Š| ||
| 306 | K | 37.9 | Very low | 40.2 | Very low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | trans | -76.1 | 104.1 | 173.3 | -101.6 | -179.7 | 175.5 | 174.2 | 0 | 109.9 | ||||
| 307 | T | 40.9 | Very low | 39.7 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 148.8 | 163.9 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | L305 N309 | L305-T307 PolarHBondContact O-N 2.8Å; T307-N309 PolarHBondContact O-N 2.72Å | ||
| 308 | P | 41.5 | Very low | 39.5 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -72.8 | 8.6 | -174.7 | 29.3 | -36.1 | 0 | 0 | 0 | 114.8 | ||
| 309 | N | 43.5 | Very low | 39.1 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -131.5 | 101.2 | 171.4 | -81.1 | -62.8 | 0 | 0 | 0 | 108.6 | T307 R311 | T307-N309 PolarHBondContact O-N 2.72Å; N309-R311 PolarHBondContact O-N 3.43Å |
| 310 | G | 43.3 | Very low | 38.2 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 82.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 311 | R | 36.3 | Very low | 37.5 | Very low | 221 Ų | 221 | 143.6 Ų | 143.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -128.3 | 103.9 | 173.3 | -169 | 175.7 | -173.7 | 175.4 | 2.1 | 110.7 | N309 | N309-R311 PolarHBondContact O-N 3.43Š| ||
| 312 | H | 37.6 | Very low | 36.7 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -61.4 | 137.2 | 173.9 | -87.3 | -93.7 | 0 | 0 | 0 | 111.5 | ||||
| 313 | I | 39.3 | Very low | 36 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -112.8 | 111.3 | 166.2 | -59.2 | 174.6 | 0 | 0 | 0 | 106.7 | V315 | I313-V315 HydrophobicContact CG2-CG2 4.16Š| ||
| 314 | P | 36.1 | Very low | 35.3 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -77.1 | 126 | 174.9 | 30.3 | -31.9 | 0 | 0 | 0 | 110.1 | ||||
| 315 | V | 35.5 | Very low | 34.9 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 66% | 0.655 | 80% | 0.795 | S | S | * | * | trans | -124.8 | 145.6 | 169.7 | -168.6 | 0 | 0 | 0 | 0 | 107.5 | I313 | I313-V315 HydrophobicContact CG2-CG2 4.16Š| ||
| 316 | H | 35.9 | Very low | 34.6 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | 69.4 | 62.3 | -173.5 | -52.5 | -74.5 | 0 | 0 | 0 | 116.4 | ||||
| 317 | Q | 31.1 | Very low | 34.2 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -99.7 | 99.6 | 136.8 | -76.4 | -170.4 | -7.1 | 0 | 0 | 108.9 | ||||
| 318 | I | 33.7 | Very low | 34.1 | Very low | 145 Ų | 145 | 142 Ų | 142 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -111.5 | 102.4 | 163 | -59.8 | 176.6 | 0 | 0 | 0 | 105.7 | S320 | I318-S320 PolarHBondContact O-N 2.9Š| ||
| 319 | P | 33.2 | Very low | 33.5 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 112.7 | -175.4 | 28.2 | -33.2 | 0 | 0 | 0 | 111.1 | C321 | P319-C321 PolarHBondContact O-N 3.42Š| ||
| 320 | S | 29.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -74.3 | 84.7 | 168.4 | 44.6 | 0 | 0 | 0 | 0 | 110.5 | I318 | I318-S320 PolarHBondContact O-N 2.9Š| ||
| 321 | C | 26.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -102 | 117 | 176.7 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | P319 | P319-C321 PolarHBondContact O-N 3.42Š| ||
| 322 | S | 25.6 | Very low | 32.8 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -85.6 | 160.4 | 172.5 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 323 | Y | 26.1 | Very low | 33.1 | Very low | 222 Ų | 222 | 133 Ų | 133 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | 81.5 | 148.2 | 156.6 | -94.8 | -84 | 0 | 0 | 0 | 122.3 | ||||
| 324 | T | 27.4 | Very low | 32.6 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 74.6 | 114.2 | 159.5 | 17.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 325 | I | 35.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | trans | -87 | 134.8 | 161.6 | -62.7 | 164.1 | 0 | 0 | 0 | 108.9 | ||||
| 326 | P | 30 | Very low | 31.8 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -109.8 | 149.9 | 152.1 | -3.3 | 24.4 | 0 | 0 | 0 | 112.6 | ||||
| 327 | T | 30.9 | Very low | 31.4 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -84.2 | 167.8 | 178.2 | 21.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 328 | P | 37.8 | Very low | 31.4 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -93.8 | 156.6 | -158.5 | 36 | -37.3 | 0 | 0 | 0 | 116.1 | ||||
| 329 | G | 28.3 | Very low | 31.9 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 134 | 118.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 330 | T | 28.6 | Very low | 31.5 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | -178.7 | 157.3 | 142.2 | -74.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 331 | V | 31.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -115.4 | -177.8 | -164.9 | -113.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | P | 48.3 | Very low | 31.6 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -111.8 | -168.5 | -142.6 | 44.6 | -32.9 | 0 | 0 | 0 | 114.7 | ||||
| 333 | P | 43.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | -130.4 | 140.1 | 107.1 | 9.9 | 11.7 | 0 | 0 | 0 | 113 | |||||
| 334 | N | 30 | Very low | 32.7 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | 70.4 | 126.2 | 82.1 | -151.4 | 16 | 0 | 0 | 0 | 112.7 | |||||
| 335 | I | 28 | Very low | 32.6 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | -159.9 | 139.9 | 87.1 | -83.8 | 153.5 | 0 | 0 | 0 | 111.7 | |||||
| 336 | S | 25.5 | Very low | 32.6 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | trans | 45.3 | 119.7 | 156.7 | -159.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 337 | S | 28 | Very low | 32.5 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | 65 | 138.8 | 56.3 | 100.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 338 | T | 31.8 | Very low | 32.7 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | cis | -135.7 | 168.4 | 24.8 | 41.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 339 | P | 42.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -98.5 | 162.5 | -178.9 | 38.4 | -35.3 | 0 | 0 | 0 | 114.7 | ||||
| 340 | G | 25.8 | Very low | 32.6 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -139.5 | 137.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 341 | S | 27.8 | Very low | 32.7 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -121.8 | 129.9 | -173.7 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 342 | R | 29.4 | Very low | 32.9 | Very low | 243 Ų | 243 | 141.5 Ų | 141.5 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -179.3 | 145.5 | 132.9 | -99.2 | 161.7 | -176.2 | -171.1 | 1 | 113.7 | ||||
| 343 | I | 38 | Very low | 32.2 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -101.4 | 140.3 | 167.1 | -63.7 | 160.5 | 0 | 0 | 0 | 105 | ||||
| 344 | P | 37.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | -137 | -171.4 | 55.3 | 33 | -7.9 | 0 | 0 | 0 | 113 | |||||
| 345 | T | 25.5 | Very low | 32 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | cis | -157.4 | 159.2 | 32 | -46.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 346 | R | 35.6 | Very low | 32.5 | Very low | 216 Ų | 216 | 142.2 Ų | 142.2 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -74 | 123.9 | 175.4 | 169.2 | -168.9 | 177.5 | -173.1 | 1.2 | 113 | ||||
| 347 | Q | 28.6 | Very low | 33 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -154 | 159.6 | 145 | -115.7 | 172.9 | 10 | 0 | 0 | 110.9 | ||||
| 348 | Q | 34 | Very low | 33.4 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -98.4 | 136 | -168.4 | -69.1 | 159.7 | -96.1 | 0 | 0 | 111.9 | ||||
| 349 | A | 27.2 | Very low | 33.8 | Very low | 104 Ų | 104 | 149 Ų | 149 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -111.8 | 108.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 350 | I | 37 | Very low | 33.5 | Very low | 151 Ų | 151 | 152 Ų | 152 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -81.3 | 125.1 | 173.6 | -62.4 | 167.9 | 0 | 0 | 0 | 108 | ||||
| 351 | R | 31.6 | Very low | 34 | Very low | 227 Ų | 227 | 157 Ų | 157 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -159.4 | 123.9 | 153.2 | -116.5 | 166.8 | -171.2 | -179.6 | 1.8 | 113.4 | ||||
| 352 | N | 34.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 57% | 0.572 | 76% | 0.763 | S | S | * | * | trans | 38.7 | 97 | 151.7 | -61.9 | 11.6 | 0 | 0 | 0 | 118.9 | Q355 | N352-Q355 PolarHBondContact ND2-OE1 3.3Š| ||
| 353 | N | 33.5 | Very low | 34.4 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -128.7 | 25.5 | 143.5 | -158.3 | 11.4 | 0 | 0 | 0 | 112.9 | ||
| 354 | E | 35 | Very low | 34.4 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -102.1 | -19.6 | 173.7 | -67.3 | 179.2 | 121.9 | 0 | 0 | 112.2 | A356 R357 | E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 2.95Å; E354-R357 PolarHBondContact O-N 3.31Å |
| 355 | Q | 36.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 156.1 Ų | 156.1 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -12.2 | -172.1 | -156.2 | 136.9 | 23.9 | 0 | 0 | 114.3 | N352 | N352-Q355 PolarHBondContact ND2-OE1 3.3Š|
| 356 | A | 37.1 | Very low | 35.2 | Very low | 86 Ų | 86 | 155 Ų | 155 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | E354 | E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 2.95Å |
| 357 | R | 37.4 | Very low | 35.2 | Very low | 220 Ų | 220 | 153.8 Ų | 153.8 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -110.2 | -9.3 | -170.1 | -143.6 | 172.7 | 177.7 | 172.2 | -1.7 | 115.4 | E354 | E354-R357 PolarHBondContact O-N 3.31Š|
| 358 | N | 36 | Very low | 35.4 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -99.5 | -8.3 | -176.1 | -69.2 | -10.8 | 0 | 0 | 0 | 114.5 | F360 | N358-F360 VanDerWaalsContact C-N 3.28Å; N358-F360 PolarHBondContact O-N 3.37Å |
| 359 | N | 38.7 | Very low | 35.2 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 60% | 0.599 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -0.4 | -173.6 | -65.9 | -1.4 | 0 | 0 | 0 | 114.6 | S362 | N359-S362 PolarHBondContact O-OG 3.49Š|
| 360 | F | 37.1 | Very low | 35.5 | Very low | 197 Ų | 197 | 149.6 Ų | 149.6 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -2.6 | 177.3 | -116.6 | -83.7 | 0 | 0 | 0 | 114.2 | N358 | N358-F360 VanDerWaalsContact C-N 3.28Å; N358-F360 PolarHBondContact O-N 3.37Å |
| 361 | F | 35.8 | Very low | 35.2 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -124.1 | 9.2 | -179 | -80.4 | -74.6 | 0 | 0 | 0 | 114.2 | ||
| 362 | S | 30.4 | Very low | 35.1 | Very low | 72 Ų | 72 | 143 Ų | 143 | 50% | 0.503 | 76% | 0.757 | S | S | . | * | S | Bend | trans | -84.1 | -19.4 | 178.4 | 44.9 | 0 | 0 | 0 | 0 | 114.5 | N359 L364 | N359-S362 PolarHBondContact O-OG 3.49Å; S362-L364 VanDerWaalsContact C-N 3.27Å; S362-L364 PolarHBondContact O-N 2.91Å |
| 363 | I | 36.5 | Very low | 35 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -6.5 | -171.9 | -60.8 | 177.2 | 0 | 0 | 0 | 113 | ||
| 364 | L | 38 | Very low | 35 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 39.5 | 178.5 | -66.2 | 176 | 0 | 0 | 0 | 113.2 | S362 | S362-L364 VanDerWaalsContact C-N 3.27Å; S362-L364 PolarHBondContact O-N 2.91Å |
| 365 | R | 38.4 | Very low | 35 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -136.9 | 17.6 | -178.5 | -135.6 | 180 | -161.5 | 160 | 7.9 | 117.1 | ||
| 366 | S | 40.4 | Very low | 34.8 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -133.9 | 73.3 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 367 | Q | 36.2 | Very low | 34.8 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -162.5 | 135.2 | 159.9 | -91.5 | -69.7 | 0.2 | 0 | 0 | 107.2 | ||
| 368 | G | 33.2 | Very low | 34.8 | Very low | 68 Ų | 68 | 147.2 Ų | 147.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 62.3 | 86.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | I370 | G368-I370 PolarHBondContact O-N 2.97Š| ||
| 369 | T | 30.1 | Very low | 34.6 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -82.4 | 105.4 | 155.3 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 370 | I | 32.6 | Very low | 34.8 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | trans | -79 | 129.5 | 169.8 | -58.5 | 177 | 0 | 0 | 0 | 108.7 | G368 S372 | G368-I370 PolarHBondContact O-N 2.97Å; I370-S372 PolarHBondContact O-N 3.42Å | ||
| 371 | P | 30.5 | Very low | 34.6 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 124.9 | -176.7 | 27.7 | -34.4 | 0 | 0 | 0 | 112 | R373 | P371-R373 PolarHBondContact O-N 2.92Š| ||
| 372 | S | 30.1 | Very low | 34.7 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 96.1 | 176.4 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | I370 | I370-S372 PolarHBondContact O-N 3.42Š| ||
| 373 | R | 31.6 | Very low | 35 | Very low | 236 Ų | 236 | 150.1 Ų | 150.1 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131.3 | 160.3 | -80.3 | -172.3 | 170.4 | -169.4 | -1.9 | 109.3 | P371 I375 | P371-R373 PolarHBondContact O-N 2.92Å; R373-I375 PolarHBondContact O-N 3.41Å |
| 374 | S | 34 | Very low | 34.5 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 119.4 | 171.2 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 375 | I | 34.5 | Very low | 34.2 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 130.8 | 167 | -73.1 | 173.8 | 0 | 0 | 0 | 107.9 | R373 | R373-I375 PolarHBondContact O-N 3.41Š|
| 376 | N | 31.6 | Very low | 34 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 144.9 | 166.7 | -83.4 | -12.7 | 0 | 0 | 0 | 109.5 | D378 | N376-D378 PolarHBondContact O-N 2.94Š|
| 377 | D | 37.6 | Very low | 33.4 | Very low | 172 Ų | 172 | 150 Ų | 150 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 12.5 | -176.6 | -70.9 | -63 | 0 | 0 | 0 | 115.6 | ||
| 378 | D | 36.5 | Very low | 33.1 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -14.7 | -170.5 | -95.2 | -51.4 | 0 | 0 | 0 | 116 | N376 T380 | N376-D378 PolarHBondContact O-N 2.94Å; D378-T380 PolarHBondContact O-N 2.99Å |
| 379 | D | 33.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -89.4 | 103.3 | -178.2 | -90 | -48.3 | 0 | 0 | 0 | 112.6 | P381 | D379-P381 WeakPolarHBondContact O-CD 3.47Š| ||
| 380 | T | 42 | Very low | 32.8 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | -94.4 | 115.1 | 176.3 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | D378 | D378-T380 PolarHBondContact O-N 2.99Š| ||
| 381 | P | 33.7 | Very low | 32.7 | Very low | 98 Ų | 98 | 153 Ų | 153 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -86.7 | 124.1 | 171.2 | -2.8 | 22.3 | 0 | 0 | 0 | 110.6 | D379 Y384 | D379-P381 WeakPolarHBondContact O-CD 3.47Å; P381-Y384 HydrophobicContact CB-CE2 4.32Å | ||
| 382 | K | 38 | Very low | 32.6 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -79.9 | 144.9 | 167.7 | -66.7 | 175.3 | -177.4 | 169.4 | 0 | 110.2 | ||||
| 383 | H | 35.4 | Very low | 32.4 | Very low | 184 Ų | 184 | 152.9 Ų | 152.9 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 55.7 | 88.5 | 168.6 | -60.5 | -71 | 0 | 0 | 0 | 117.3 | ||||
| 384 | Y | 27.1 | Very low | 32.3 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -82.3 | 122.2 | 147.7 | -82.4 | -86.3 | 0 | 0 | 0 | 109.9 | P381 | P381-Y384 HydrophobicContact CB-CE2 4.32Š| ||
| 385 | K | 30.6 | Very low | 32.2 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 145 | 155.7 | -82.2 | -179.4 | 174.1 | 177.8 | 0 | 108.1 | V387 | K385-V387 PolarHBondContact O-N 3.37Å; K385-V387 VanDerWaalsContact O-N 3.11Å | ||
| 386 | S | 33.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -65.7 | 109.2 | 176.5 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 387 | V | 29.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 132.8 | 165.6 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | K385 | K385-V387 PolarHBondContact O-N 3.37Å; K385-V387 VanDerWaalsContact O-N 3.11Å | ||
| 388 | P | 28.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -64.5 | 138.4 | 175.5 | 27.1 | -34.1 | 0 | 0 | 0 | 110.6 | V390 | P388-V390 PolarHBondContact O-N 2.83Š| ||
| 389 | R | 30.6 | Very low | 31.2 | Very low | 228 Ų | 228 | 143.4 Ų | 143.4 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 109.4 | 168.1 | -91.8 | -174 | 159.2 | 106 | -2.3 | 108.8 | E391 | R389-E391 PolarHBondContact O-N 2.85Š| ||
| 390 | V | 26.2 | Very low | 31 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 109.8 | 159.2 | -179.9 | 0 | 0 | 0 | 0 | 107 | P388 | P388-V390 PolarHBondContact O-N 2.83Š| ||
| 391 | E | 30.9 | Very low | 30.6 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -85.7 | 112.1 | 172.3 | -63 | -161.1 | 156.9 | 0 | 0 | 109 | R389 S393 | R389-E391 PolarHBondContact O-N 2.85Å; E391-S393 PolarHBondContact O-N 3.46Å; E391-S393 VanDerWaalsContact O-N 3.11Å | ||
| 392 | V | 27.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -74.4 | 101.9 | -174.8 | -178 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 393 | S | 27.1 | Very low | 30.2 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -81.8 | 132.9 | 172.4 | 45 | 0 | 0 | 0 | 0 | 111.5 | E391 | E391-S393 PolarHBondContact O-N 3.46Å; E391-S393 VanDerWaalsContact O-N 3.11Å | ||
| 394 | A | 29.7 | Very low | 30.1 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 46.5 | 98 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | N396 | A394-N396 PolarHBondContact O-N 2.89Å; A394-N396 VanDerWaalsContact O-N 3.11Å | ||
| 395 | I | 31.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 68% | 0.677 | 76% | 0.759 | S | S | * | * | trans | -65 | 110.4 | 161.1 | -61.3 | 171 | 0 | 0 | 0 | 108.9 | Y397 | I395-Y397 HydrophobicContact CG2-CD2 4.07Å; I395-Y397 HydrophobicContact CG2-CE2 3.91Å | ||
| 396 | N | 28.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | -84.9 | 114.6 | 171.8 | -171.3 | 10.5 | 0 | 0 | 0 | 110.1 | A394 S398 | A394-N396 PolarHBondContact O-N 2.89Å; A394-N396 VanDerWaalsContact O-N 3.11Å; N396-S398 PolarHBondContact O-N 3.49Å; N396-S398 VanDerWaalsContact O-N 3.13Å | ||
| 397 | Y | 27.6 | Very low | 30.2 | Very low | 209 Ų | 209 | 132.2 Ų | 132.2 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | trans | -82.8 | 86.6 | 179.8 | -85.7 | -86.2 | 0 | 0 | 0 | 111.4 | I395 | I395-Y397 HydrophobicContact CG2-CD2 4.07Å; I395-Y397 HydrophobicContact CG2-CE2 3.91Å | ||
| 398 | S | 32.4 | Very low | 30.4 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -117.9 | 52.3 | 167 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | N396 | N396-S398 PolarHBondContact O-N 3.49Å; N396-S398 VanDerWaalsContact O-N 3.13Å | ||
| 399 | G | 29.9 | Very low | 30.3 | Very low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | -89.4 | 108.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 400 | H | 30.5 | Very low | 30.3 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | trans | -67.5 | 127.8 | 163.8 | -142.9 | -91.6 | 0 | 0 | 0 | 108.1 | D402 | H400-D402 IonicContact ND1-OD1 3.78Š| ||
| 401 | I | 33.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | -106.5 | 102.8 | -178.8 | -56.3 | 178.7 | 0 | 0 | 0 | 108.9 | F403 | I401-F403 HydrophobicContact CB-CE2 4.01Å; I401-F403 HydrophobicContact CB-CZ 4.41Å; I401-F403 HydrophobicContact CG2-CD2 4.1Å; I401-F403 HydrophobicContact CG2-CE1 4.2Å; I401-F403 HydrophobicContact CG2-CE2 3.61Å; I401-F403 HydrophobicContact CG2-CZ 3.67Å; I401-F403 VanDerWaalsContact O-CD2 3.28Å; I401-F403 WeakPolarHBondContact O-CD2 3.23Å | ||
| 402 | D | 29.4 | Very low | 30.4 | Very low | 124 Ų | 124 | 135 Ų | 135 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | trans | -79.6 | 119.9 | 172.4 | -71.1 | -29.7 | 0 | 0 | 0 | 110.9 | H400 S404 | H400-D402 IonicContact ND1-OD1 3.78Å; D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.38Å | ||
| 403 | F | 33.5 | Very low | 30.4 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -90.1 | 33.7 | -178.7 | -74.4 | -85 | 0 | 0 | 0 | 113.2 | I401 T405 | I401-F403 HydrophobicContact CB-CE2 4.01Å; I401-F403 HydrophobicContact CB-CZ 4.41Å; I401-F403 HydrophobicContact CG2-CD2 4.1Å; I401-F403 HydrophobicContact CG2-CE1 4.2Å; I401-F403 HydrophobicContact CG2-CE2 3.61Å; I401-F403 HydrophobicContact CG2-CZ 3.67Å; I401-F403 VanDerWaalsContact O-CD2 3.28Å; I401-F403 WeakPolarHBondContact O-CD2 3.23Å; F403-T405 VanDerWaalsContact C-N 3.35Å; F403-T405 PolarHBondContact O-N 3.06Å | ||
| 404 | S | 32.9 | Very low | 30.5 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -12.3 | -173.1 | 53.9 | 0 | 0 | 0 | 0 | 115 | D402 | D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.38Å |
| 405 | T | 36.4 | Very low | 30.5 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 47.7 | -171.2 | 50.9 | 0 | 0 | 0 | 0 | 115.1 | F403 | F403-T405 VanDerWaalsContact C-N 3.35Å; F403-T405 PolarHBondContact O-N 3.06Å |
| 406 | V | 30.5 | Very low | 30.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 57% | 0.57 | 75% | 0.752 | S | S | * | * | trans | -109.4 | 87.5 | 166.3 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | Y408 | V406-Y408 HydrophobicContact CG1-CD2 4.07Å; V406-Y408 HydrophobicContact CG1-CE2 3.75Å; V406-Y408 PolarHBondContact O-N 3.37Å | ||
| 407 | S | 28 | Very low | 30.4 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -75 | 105.2 | 173.2 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | Q409 | S407-Q409 PolarHBondContact O-N 2.7Š| ||
| 408 | Y | 31.8 | Very low | 30.3 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -72.6 | 110.1 | 174.5 | -84.4 | -94.9 | 0 | 0 | 0 | 111.4 | V406 | V406-Y408 HydrophobicContact CG1-CD2 4.07Å; V406-Y408 HydrophobicContact CG1-CE2 3.75Å; V406-Y408 PolarHBondContact O-N 3.37Å | ||
| 409 | Q | 27.7 | Very low | 30 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -97 | 85.3 | 171.7 | -166.7 | 172.6 | 33.6 | 0 | 0 | 110.3 | S407 | S407-Q409 PolarHBondContact O-N 2.7Š| ||
| 410 | S | 30.7 | Very low | 30 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -95.9 | 136.3 | 170.9 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 411 | T | 28.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -94.3 | 165.8 | 179.2 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 412 | E | 30.5 | Very low | 29.4 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 77.1 | 110 | -177.8 | -53 | 179.4 | -175.6 | 0 | 0 | 112.6 | ||||
| 413 | S | 28.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 73 | 118.4 | 63.8 | -161.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 414 | E | 29.8 | Very low | 29.6 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | cis | -159.2 | 157.6 | 21.4 | -132.8 | 171.9 | -161 | 0 | 0 | 112.8 | ||||
| 415 | V | 29.1 | Very low | 29.5 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | trans | 67.2 | 109.5 | 146.4 | 165.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 416 | S | 28.4 | Very low | 29.2 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 69.7 | 103.9 | 136.4 | -65.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 417 | K | 28.8 | Very low | 29.1 | Very low | 216 Ų | 216 | 135.7 Ų | 135.7 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | -169.8 | 167.8 | 91.7 | -102.5 | 172.7 | -177.8 | 175.7 | 0 | 112.2 | |||||
| 418 | A | 25.8 | Very low | 29.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -116 | 159.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 419 | S | 25.3 | Very low | 29 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 56 | 114.4 | 153.6 | -168.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 420 | V | 30.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | -145.5 | 133 | 117.1 | 174 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 421 | T | 27.1 | Very low | 29.1 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -95.3 | 139.3 | 173.6 | -34.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 422 | C | 25 | Very low | 29.3 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -158.7 | 161.6 | 161.1 | -105.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 423 | P | 34.7 | Very low | 29.3 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 163.2 | -155.4 | 33.5 | -37.6 | 0 | 0 | 0 | 115.6 | ||
| 424 | P | 32.2 | Very low | 29.5 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 146.7 | 173.4 | 29.4 | -35.8 | 0 | 0 | 0 | 112.5 | ||
| 425 | P | 31.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 153.4 | 171.1 | 31.9 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 426 | A | 29.1 | Very low | 29.4 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 136.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 427 | H | 28.4 | Very low | 29.6 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -82 | 113.2 | 165.9 | -75.9 | -96.3 | 0 | 0 | 0 | 109.7 | V429 | H427-V429 PolarHBondContact O-N 3.48Š| ||
| 428 | T | 29.7 | Very low | 29.6 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -73 | 119.3 | 170.3 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 429 | V | 28.4 | Very low | 29.9 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 133.9 | 168.3 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | H427 | H427-V429 PolarHBondContact O-N 3.48Š| ||
| 430 | I | 30.4 | Very low | 30.1 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -108.9 | 98.1 | 165.7 | -62.8 | 167.2 | 0 | 0 | 0 | 106.6 | ||||
| 431 | N | 28.9 | Very low | 29.9 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -81.1 | 149 | 164.3 | -93.5 | -9.5 | 0 | 0 | 0 | 109.4 | ||||
| 432 | I | 33.2 | Very low | 29.9 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -95.6 | 99.6 | 176.5 | -59.3 | 168.9 | 0 | 0 | 0 | 107.1 | ||||
| 433 | E | 31.2 | Very low | 30 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -89.6 | 143.6 | 172.7 | -72.8 | -172.4 | 132.2 | 0 | 0 | 111.6 | ||||
| 434 | L | 31.9 | Very low | 29.8 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -75.6 | 120.1 | 173.3 | -92.1 | 58.7 | 0 | 0 | 0 | 109.4 | S436 | L434-S436 PolarHBondContact O-N 2.78Š| ||
| 435 | D | 29.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -83.3 | 102.9 | 174.6 | -157.6 | -9 | 0 | 0 | 0 | 110.1 | ||||
| 436 | S | 27.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -154 | 93 | 176.4 | -81.2 | 0 | 0 | 0 | 0 | 113 | L434 | L434-S436 PolarHBondContact O-N 2.78Š| ||
| 437 | A | 31.2 | Very low | 29.6 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 69.2 | 123.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 438 | D | 29.4 | Very low | 29.7 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | -134.3 | 136.9 | 119.8 | -135.8 | -21.6 | 0 | 0 | 0 | 114.7 | |||||
| 439 | T | 33.2 | Very low | 29.7 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 58% | 0.577 | 81% | 0.808 | S | S | * | * | trans | -42 | 152.8 | 175.1 | 60.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 440 | N | 28.7 | Very low | 29.8 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -139.7 | 118.8 | 155.5 | -111.4 | -84.7 | 0 | 0 | 0 | 109.7 | ||||
| 441 | F | 26.5 | Very low | 29.9 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -77.5 | 128 | -174.4 | -97.2 | -105.2 | 0 | 0 | 0 | 112.8 | ||||
| 442 | R | 26.6 | Very low | 29.8 | Very low | 249 Ų | 249 | 145 Ų | 145 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | trans | -153.2 | 139.6 | 146.5 | -129.6 | 175.2 | -177.8 | -164 | -1.2 | 113.6 | ||||
| 443 | S | 27 | Very low | 29.7 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 148.1 | -164.8 | -37.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 444 | P | 31.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120.9 | 169.6 | 32.1 | -32.1 | 0 | 0 | 0 | 111.7 | ||
| 445 | S | 28.6 | Very low | 30.2 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 148.3 | 171.1 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 446 | R | 27.6 | Very low | 30.2 | Very low | 241 Ų | 241 | 136.2 Ų | 136.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 171 | 179.7 | -100.8 | 177.3 | 159.9 | -173 | -5.9 | 113.9 | ||
| 447 | S | 30.9 | Very low | 30.3 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | 91 | 142.4 | 167.1 | 77.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 448 | S | 31.1 | Very low | 30.2 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | -167.7 | 135.4 | -19.8 | 43.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 449 | G | 30.4 | Very low | 30.9 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 178.7 | 118.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 450 | E | 31.1 | Very low | 30.8 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -85.6 | 170.2 | 173.8 | -70.1 | 173.8 | 73.1 | 0 | 0 | 110.4 | ||||
| 451 | Q | 31.3 | Very low | 31.1 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | cis | -160.9 | 163.2 | 12.6 | -142.7 | 167.9 | 61.7 | 0 | 0 | 110 | ||||
| 452 | G | 27.8 | Very low | 31.3 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 97.8 | 103.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 453 | S | 30 | Very low | 31.6 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -108.3 | 173.7 | 140.7 | -55.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 454 | P | 44.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | cis | -127.7 | 174.7 | -9.5 | 41.6 | -27.8 | 0 | 0 | 0 | 113.4 | ||||
| 455 | A | 29.7 | Very low | 32.2 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -163.9 | 142.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 456 | T | 30.8 | Very low | 32.3 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 82% | 0.816 | 83% | 0.833 | S | S | * | * | trans | -67.1 | 151.1 | 164.6 | -36.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 457 | C | 28 | Very low | 32.6 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | 166.4 | 126 | 127.5 | -91 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 458 | E | 30.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -72.6 | 171.7 | 141.2 | -108.7 | -163.4 | 122.8 | 0 | 0 | 109.8 | ||||
| 459 | P | 43.8 | Very low | 32.8 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 64% | 0.643 | 83% | 0.83 | S | S | * | * | cis | -131.1 | -175.3 | -2.5 | 37.6 | -19.7 | 0 | 0 | 0 | 113.1 | ||||
| 460 | M | 30.6 | Very low | 33 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | 175.6 | 156.6 | 116.1 | -93.8 | -170.8 | 71.9 | 0 | 0 | 113.3 | |||||
| 461 | I | 35.9 | Very low | 33.1 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 73% | 0.733 | 83% | 0.833 | S | S | * | * | trans | -108.4 | 158.2 | -177.8 | -75.6 | 167.4 | 0 | 0 | 0 | 109.8 | ||||
| 462 | R | 30.3 | Very low | 33.3 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 74% | 0.743 | 83% | 0.833 | S | S | * | * | trans | 78.6 | 149.8 | 177.5 | -74.5 | 158 | -176.8 | -130.2 | 5.4 | 115.5 | ||||
| 463 | H | 31.4 | Very low | 33.7 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | cis | -147.6 | 136.1 | 7.2 | -112.7 | -48.5 | 0 | 0 | 0 | 111.2 | ||||
| 464 | T | 39.3 | Very low | 34.1 | Very low | 212 Ų | 212 | 151.5 Ų | 151.5 | 100% | 1.301 | 84% | 0.839 | S | S | * | * | trans | -152.1 | 0 | 136.9 | 40.8 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 464 of 464 residues in 371.4 ms
(Link to these results)