| 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 | 36.9 | Very low | 41.3 | Very low | 239 Ų | 239 | 157.3 Ų | 157.3 | 100% | 1.177 | 81% | 0.806 | S | S | * | * | 0 | 111.2 | 0 | -67.7 | 171.4 | 87.6 | 0 | 0 | 107.8 | |||||
| 2 | S | 39.7 | Very low | 41.6 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 41.5 | 115.2 | 141.6 | -68.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | S | 40.1 | Very low | 41.8 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | 104.4 | 142 | 89.1 | 69.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 4 | R | 41 | Very low | 42.1 | Very low | 223 Ų | 223 | 147.7 Ų | 147.7 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | cis | -178 | 134.3 | 11.6 | 154.9 | -176.6 | -179.8 | -176.7 | 0.7 | 106 | ||||
| 5 | S | 41.3 | Very low | 42.1 | Very low | 92 Ų | 92 | 150 Ų | 150 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | trans | 46.1 | 145.7 | 135.9 | 111.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 6 | Q | 49.1 | Very low | 42 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | cis | -170.6 | 148.1 | 4.6 | -82 | -125.9 | 24.2 | 0 | 0 | 105.1 | ||||
| 7 | H | 39.5 | Very low | 42.4 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -170.1 | 107.4 | 134.3 | -109 | -76.1 | 0 | 0 | 0 | 108.2 | G9 | H7-G9 PolarHBondContact O-N 3.16Å; H7-G9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | Y | 40.2 | Very low | 42.4 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 73% | 0.725 | 80% | 0.8 | S | S | * | * | trans | -64.1 | 106.2 | 168.2 | -102.6 | -98.9 | 0 | 0 | 0 | 108.8 | F10 | Y8-F10 HydrophobicContact CD1-CD2 4.16Å; Y8-F10 HydrophobicContact CD1-CE1 4.24Å; Y8-F10 AromaticContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CE2 3.52Å; Y8-F10 AromaticContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CE1-CE1 4.43Å; Y8-F10 HydrophobicContact CE1-CE2 4.3Å; Y8-F10 AromaticContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CG-CE2 4.17Å | ||
| 9 | G | 38.4 | Very low | 42.8 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -90.5 | 102.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | H7 Q11 | H7-G9 PolarHBondContact O-N 3.16Å; H7-G9 VanDerWaalsContact O-N 3.16Å; G9-Q11 PolarHBondContact O-N 3.1Å; G9-Q11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | F | 42 | Very low | 42.8 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -73.2 | 98.2 | 168 | -78.2 | -84 | 0 | 0 | 0 | 108.3 | Y8 | Y8-F10 HydrophobicContact CD1-CD2 4.16Å; Y8-F10 HydrophobicContact CD1-CE1 4.24Å; Y8-F10 AromaticContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CE2 3.52Å; Y8-F10 AromaticContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CE1-CE1 4.43Å; Y8-F10 HydrophobicContact CE1-CE2 4.3Å; Y8-F10 AromaticContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CG-CE2 4.17Å | ||
| 11 | Q | 45.6 | Very low | 43.3 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -75.9 | 137.6 | 161.9 | -85.5 | -166.9 | 45.1 | 0 | 0 | 109.8 | G9 | G9-Q11 PolarHBondContact O-N 3.1Å; G9-Q11 VanDerWaalsContact O-N 3.1Å | ||
| 12 | S | 45.3 | Very low | 43.4 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | -54.4 | 130.3 | 178.3 | -43.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 13 | A | 43.9 | Very low | 43.7 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -139.8 | 118.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 14 | T | 45.9 | Very low | 43.7 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 75.5 | 88.8 | 152.9 | -38.4 | 0 | 0 | 0 | 0 | 117.4 | V16 | T14-V16 HydrophobicContact CG2-CG2 3.72Å; T14-V16 PolarHBondContact O-N 3.19Å | ||
| 15 | M | 42.1 | Very low | 43.8 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -60.6 | 106.3 | 153.5 | -170.6 | -172.4 | -66.2 | 0 | 0 | 108.7 | ||||
| 16 | V | 41.2 | Very low | 43.8 | Very low | 122 Ų | 122 | 140 Ų | 140 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -107.2 | 103.7 | 160.9 | -177.1 | 0 | 0 | 0 | 0 | 106.9 | T14 P18 | T14-V16 HydrophobicContact CG2-CG2 3.72Å; T14-V16 PolarHBondContact O-N 3.19Å; V16-P18 WeakPolarHBondContact O-CD 3.36Å | ||
| 17 | Q | 49.2 | Very low | 43.3 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -69.8 | 119.9 | 174.2 | -178.7 | 174.8 | 71.4 | 0 | 0 | 109.2 | A19 | Q17-A19 PolarHBondContact O-N 3.38Š| ||
| 18 | P | 42.6 | Very low | 43.3 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -77.2 | 114.9 | 163.8 | 28.6 | -27.3 | 0 | 0 | 0 | 108.1 | V16 | V16-P18 WeakPolarHBondContact O-CD 3.36Š| ||
| 19 | A | 49.1 | Very low | 43.2 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -61.1 | 135.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q17 | Q17-A19 PolarHBondContact O-N 3.38Š| ||
| 20 | N | 43.7 | Very low | 43.3 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 94.9 | 81.2 | 166.7 | -135.8 | 20.2 | 0 | 0 | 0 | 116.9 | G22 | N20-G22 PolarHBondContact O-N 3.45Š|
| 21 | G | 52.5 | Low | 43.1 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 48.3 | 65.3 | 132.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 22 | G | 38.7 | Very low | 42.9 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -113.3 | 114.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N20 A24 | N20-G22 PolarHBondContact O-N 3.45Å; G22-A24 PolarHBondContact O-N 3.13Å | ||
| 23 | H | 45.2 | Very low | 42.9 | Very low | 175 Ų | 175 | 135 Ų | 135 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -68 | 113.1 | 174.7 | -71.4 | -88.8 | 0 | 0 | 0 | 110 | Y25 | H23-Y25 HydrophobicContact CB-CE2 4.25Š| ||
| 24 | A | 40.3 | Very low | 42.8 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -83.4 | 111.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G22 L26 | G22-A24 PolarHBondContact O-N 3.13Å; A24-L26 PolarHBondContact O-N 3.4Å | ||
| 25 | Y | 42.9 | Very low | 42.3 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | -82.2 | 110.8 | 171.7 | -80.9 | -89.9 | 0 | 0 | 0 | 109.4 | H23 | H23-Y25 HydrophobicContact CB-CE2 4.25Š| ||
| 26 | L | 42.2 | Very low | 42.5 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -85.4 | 113.4 | 170.7 | -166.7 | 75.3 | 0 | 0 | 0 | 108 | A24 G28 | A24-L26 PolarHBondContact O-N 3.4Å; L26-G28 PolarHBondContact O-N 3.02Å | ||
| 27 | F | 38.5 | Very low | 42.5 | Very low | 200 Ų | 200 | 137 Ų | 137 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 106.6 | 173.2 | -93.7 | -92.6 | 0 | 0 | 0 | 109.6 | ||||
| 28 | G | 39 | Very low | 42.4 | Very low | 75 Ų | 75 | 137.6 Ų | 137.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -88 | 126 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L26 | L26-G28 PolarHBondContact O-N 3.02Š| ||
| 29 | T | 38.2 | Very low | 42.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -79 | 130 | 177.2 | 49.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 30 | N | 40.3 | Very low | 42.1 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | 79.4 | 126.9 | 145.6 | -48.7 | 4.5 | 0 | 0 | 0 | 120.3 | ||||
| 31 | S | 38.5 | Very low | 42.1 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 82.7 | 96.1 | 144.1 | -58.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 32 | S | 42.5 | Very low | 41.5 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | -168.2 | 140.5 | 116.4 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 33 | E | 45.2 | Very low | 41.5 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -80.1 | 150.2 | -169.2 | -40.3 | 176.2 | 127.8 | 0 | 0 | 109.5 | ||||
| 34 | N | 40.3 | Very low | 41.5 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 126.4 | 137 | 149.5 | -159.4 | 49.8 | 0 | 0 | 0 | 116.5 | ||||
| 35 | D | 36.5 | Very low | 41.9 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | 91.3 | 120.1 | 166.5 | -90.7 | -58.6 | 0 | 0 | 0 | 121 | ||||
| 36 | L | 45.3 | Very low | 42.2 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -79.5 | 123.1 | -178.6 | -63.1 | 157.8 | 0 | 0 | 0 | 108.3 | ||||
| 37 | S | 42.8 | Very low | 42.4 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -139.4 | 97.1 | 159.1 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 38 | E | 45.4 | Very low | 43.1 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 101 | 165.6 | 27.3 | -172.3 | 111.9 | 0 | 0 | 108.4 | ||||
| 39 | E | 42.1 | Very low | 43.8 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -149.3 | 92.2 | 150.8 | -88.4 | -140.5 | 102.7 | 0 | 0 | 107.7 | ||||
| 40 | D | 44.9 | Very low | 44.6 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -89.6 | 134 | 161.6 | -176 | 29 | 0 | 0 | 0 | 108.2 | ||||
| 41 | G | 43.7 | Very low | 45.2 | Very low | 60 Ų | 60 | 149.6 Ų | 149.6 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | trans | 164.4 | 33.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S43 | G41-S43 PolarHBondContact O-N 2.89Å; G41-S43 VanDerWaalsContact O-N 3.16Å | ||
| 42 | E | 39.7 | Very low | 45.9 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 60% | 0.603 | 79% | 0.788 | S | S | * | * | trans | 48 | 57.6 | 138.3 | -46.9 | -161.6 | 159.4 | 0 | 0 | 118.4 | F44 | E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 HydrophobicContact CB-CD2 4.21Å; E42-F44 HydrophobicContact CB-CE1 4.12Å; E42-F44 HydrophobicContact CB-CE2 3.56Å; E42-F44 HydrophobicContact CB-CZ 3.53Å; E42-F44 VanDerWaalsContact CD-CZ 3.47Å; E42-F44 HydrophobicContact CG-CE1 4.47Å; E42-F44 HydrophobicContact CG-CE2 4.32Å; E42-F44 HydrophobicContact CG-CZ 3.86Å; E42-F44 PolarHBondContact O-N 3.23Å; E42-F44 VanDerWaalsContact OE2-CE2 3.3Å; E42-F44 WeakPolarHBondContact OE2-CE2 3.42Å; E42-F44 WeakPolarHBondContact OE2-CZ 3.25Å | ||
| 43 | S | 38.6 | Very low | 46.5 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 81.7 | 159 | 17.8 | 0 | 0 | 0 | 0 | 109.1 | G41 E45 | G41-S43 PolarHBondContact O-N 2.89Å; G41-S43 VanDerWaalsContact O-N 3.16Å; S43-E45 PolarHBondContact O-N 3.25Å | ||
| 44 | F | 45.3 | Very low | 47 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 65% | 0.654 | 78% | 0.776 | S | S | * | * | trans | -71.3 | 85 | 168.3 | -45 | -71.5 | 0 | 0 | 0 | 109.3 | E42 L46 | E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 HydrophobicContact CB-CD2 4.21Å; E42-F44 HydrophobicContact CB-CE1 4.12Å; E42-F44 HydrophobicContact CB-CE2 3.56Å; E42-F44 HydrophobicContact CB-CZ 3.53Å; E42-F44 VanDerWaalsContact CD-CZ 3.47Å; E42-F44 HydrophobicContact CG-CE1 4.47Å; E42-F44 HydrophobicContact CG-CE2 4.32Å; E42-F44 HydrophobicContact CG-CZ 3.86Å; E42-F44 PolarHBondContact O-N 3.23Å; E42-F44 VanDerWaalsContact OE2-CE2 3.3Å; E42-F44 WeakPolarHBondContact OE2-CE2 3.42Å; E42-F44 WeakPolarHBondContact OE2-CZ 3.25Å; F44-L46 PolarHBondContact O-N 3.49Å | ||
| 45 | E | 47 | Very low | 47.6 | Very low | 192 Ų | 192 | 156.1 Ų | 156.1 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -69 | 83.2 | 169.2 | -142.7 | 179.8 | -165 | 0 | 0 | 108.4 | S43 R47 | S43-E45 PolarHBondContact O-N 3.25Å; E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.07Å | ||
| 46 | L | 50.2 | Low | 48.2 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -66 | 93.2 | 170.8 | -72.3 | 175.7 | 0 | 0 | 0 | 108 | F44 S48 | F44-L46 PolarHBondContact O-N 3.49Å; L46-S48 PolarHBondContact O-N 3.27Å | ||
| 47 | R | 47.3 | Very low | 48.4 | Very low | 228 Ų | 228 | 152.6 Ų | 152.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -42.2 | 116.4 | 162.9 | -175.5 | -179.4 | -176.7 | 85.3 | -1.7 | 108.1 | E45 R49 | E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.07Å; R47-R49 PolarHBondContact O-N 2.93Å | ||
| 48 | S | 51.6 | Low | 48.9 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -69.3 | 72.4 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | L46 G50 | L46-S48 PolarHBondContact O-N 3.27Å; S48-G50 PolarHBondContact O-N 2.67Å | ||
| 49 | R | 53.7 | Low | 49.3 | Very low | 233 Ų | 233 | 146.4 Ų | 146.4 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | -75.1 | 115.5 | 171.8 | -168.6 | 180 | 171.8 | 174.8 | -2.4 | 107.7 | R47 | R47-R49 PolarHBondContact O-N 2.93Š| ||
| 50 | G | 55.1 | Low | 49.8 | Very low | 52 Ų | 52 | 143.8 Ų | 143.8 | 54% | 0.536 | 72% | 0.718 | S | S | . | * | trans | 96.1 | 102.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S48 D52 | S48-G50 PolarHBondContact O-N 2.67Å; G50-D52 PolarHBondContact O-N 3.25Å | ||
| 51 | K | 54.3 | Low | 50.2 | Low | 184 Ų | 184 | 143.3 Ų | 143.3 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -65.5 | 70.1 | 160.7 | -169.2 | 169.6 | 79.4 | 175.2 | 0 | 109.2 | R53 | K51-R53 HydrophobicContact CG-CG 4.02Å; K51-R53 PolarHBondContact O-N 2.88Å | ||
| 52 | D | 53.6 | Low | 50.8 | Low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | -78.1 | 57 | 172.1 | -80.8 | -50 | 0 | 0 | 0 | 111 | G50 L54 | G50-D52 PolarHBondContact O-N 3.25Å; D52-L54 PolarHBondContact O-N 3.45Å | ||
| 53 | R | 54.4 | Low | 51.6 | Low | 203 Ų | 203 | 146.5 Ų | 146.5 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 38.1 | 168.3 | -61 | -172.7 | -166.3 | -111.8 | 1.6 | 111.2 | K51 | K51-R53 HydrophobicContact CG-CG 4.02Å; K51-R53 PolarHBondContact O-N 2.88Å |
| 54 | L | 56.1 | Low | 52.4 | Low | 142 Ų | 142 | 146.4 Ų | 146.4 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 10.7 | 178.8 | -160.9 | 57 | 0 | 0 | 0 | 115 | D52 | D52-L54 PolarHBondContact O-N 3.45Š|
| 55 | R | 52.1 | Low | 53.4 | Low | 240 Ų | 240 | 141 Ų | 141 | 91% | 0.906 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -118.7 | 33.7 | 170.7 | -63.9 | -154.3 | -173 | -166.3 | 5.4 | 114.2 | ||
| 56 | K | 49.6 | Very low | 54.6 | Low | 156 Ų | 156 | 133.9 Ų | 133.9 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -111.1 | 2.4 | 174.3 | -81 | 137.9 | 177.7 | 169.1 | 0 | 114 | ||
| 57 | S | 49.3 | Very low | 55.9 | Low | 59 Ų | 59 | 130.6 Ų | 130.6 | 41% | 0.413 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -90.9 | -32.3 | -172.8 | 41.5 | 0 | 0 | 0 | 0 | 114.7 | S59 E61 | S57-S59 PolarHBondContact O-N 3.46Å; S57-E61 WeakPolarHBondContact O-CB 3.36Å; S57-E61 PolarHBondContact O-N 2.86Å; S57-E61 VanDerWaalsContact O-N 3.14Å |
| 58 | T | 53 | Low | 57.4 | Low | 89 Ų | 89 | 126.2 Ų | 126.2 | 55% | 0.546 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -79.5 | -17.9 | -170.8 | 73.9 | 0 | 0 | 0 | 0 | 114.9 | R62 | T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-NH1 2.72Å |
| 59 | S | 54 | Low | 58.6 | Low | 77 Ų | 77 | 122.1 Ų | 122.1 | 54% | 0.538 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -89.3 | -33.4 | 176.9 | 60 | 0 | 0 | 0 | 0 | 112.3 | S57 | S57-S59 PolarHBondContact O-N 3.46Å |
| 60 | K | 53 | Low | 59.8 | Low | 143 Ų | 143 | 115.3 Ų | 115.3 | 62% | 0.622 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -81.3 | -36.9 | -179.2 | -162.9 | 170 | 176.8 | 171.4 | 0 | 112.1 | R62 L63 | K60-R62 PolarHBondContact O-N 3.48Å; K60-L63 WeakPolarHBondContact O-CB 3.35Å; K60-L63 PolarHBondContact O-N 2.98Å |
| 61 | E | 52.8 | Low | 60.8 | Low | 142 Ų | 142 | 115.3 Ų | 115.3 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26.3 | 177.1 | -170.4 | 174.2 | -166.6 | 0 | 0 | 113 | S57 L63 | S57-E61 WeakPolarHBondContact O-CB 3.36Å; S57-E61 PolarHBondContact O-N 2.86Å; S57-E61 VanDerWaalsContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.34Å |
| 62 | R | 55.8 | Low | 61.9 | Low | 162 Ų | 162 | 111.7 Ų | 111.7 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.8 | 172.4 | -69.5 | -169.3 | -169.5 | 105.8 | -9.7 | 114.5 | T58 K60 I66 | T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-NH1 2.72Å; K60-R62 PolarHBondContact O-N 3.48Å; R62-I66 WeakPolarHBondContact O-CD1 3.42Å; R62-I66 VanDerWaalsContact O-CG1 3.3Å; R62-I66 WeakPolarHBondContact O-CG1 3.43Å |
| 63 | L | 56.2 | Low | 62.8 | Low | 94 Ų | 94 | 106.5 Ų | 106.5 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -28.5 | -177.9 | -63.1 | 175.3 | 0 | 0 | 0 | 112.2 | K60 E61 D65 I66 | K60-L63 WeakPolarHBondContact O-CB 3.35Å; K60-L63 PolarHBondContact O-N 2.98Å; E61-L63 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.69Å; L63-I66 HydrophobicContact CD2-CD1 4Å; L63-I66 PolarHBondContact O-N 2.88Å |
| 64 | D | 57.1 | Low | 63.7 | Low | 114 Ų | 114 | 103.4 Ų | 103.4 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15.5 | -179.9 | -63.9 | -37.1 | 0 | 0 | 0 | 112.2 | R117 | D64-R117 PolarHBondContact O-NE 3.16Å; D64-R117 PolarHBondContact O-NH2 3.42Å |
| 65 | D | 65.6 | Low | 63.9 | Low | 37 Ų | 37 | 106.5 Ų | 106.5 | 20% | 0.198 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 15.5 | 176.6 | -162.2 | 41 | 0 | 0 | 0 | 114.4 | L63 R116 R117 F118 | L63-D65 PolarHBondContact O-N 2.69Å; D65-R116 CarbonylContact O-C 3.57Å; D65-R116 VanDerWaalsContact O-CA 3.27Å; D65-R116 WeakPolarHBondContact O-CA 3.27Å; D65-R117 WeakPolarHBondContact O-CG 3.33Å; D65-R117 PolarHBondContact O-N 3.32Å; D65-R117 WeakPolarHBondContact OD1-CB 3.3Å; D65-R117 WeakPolarHBondContact OD1-CG 3.43Å; D65-R117 IonicContact OD1-CZ 3.01Å; D65-R117 PolarHBondContact OD1-N 2.89Å; D65-R117 IonicContact OD1-NE 3.91Å; D65-R117 IonicContact OD1-NH1 2.89Å; D65-R117 PolarHBondContact OD2-N 3.12Å; D65-F118 VanDerWaalsContact CG-CD2 3.49Å; D65-F118 WeakPolarHBondContact OD1-CD2 3.19Å; D65-F118 WeakPolarHBondContact OD1-CE2 3.47Å; D65-F118 WeakPolarHBondContact OD2-CD2 3.44Å |
| 66 | I | 72.1 | Confident | 64.7 | Low | 41 Ų | 41 | 98.2 Ų | 98.2 | 21% | 0.21 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.2 | -178.9 | -58.4 | 174.4 | 0 | 0 | 0 | 109.5 | R62 L63 Y68 P114 | R62-I66 WeakPolarHBondContact O-CD1 3.42Å; R62-I66 VanDerWaalsContact O-CG1 3.3Å; R62-I66 WeakPolarHBondContact O-CG1 3.43Å; L63-I66 HydrophobicContact CD2-CD1 4Å; L63-I66 PolarHBondContact O-N 2.88Å; I66-Y68 HydrophobicContact CG2-CE1 4.28Å; I66-Y68 HydrophobicContact CG2-CE2 4.43Å; I66-P114 HydrophobicContact CG2-CB 3.37Å |
| 67 | I | 76.4 | Confident | 65.9 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.3 | 165.4 | -74.3 | 163 | 0 | 0 | 0 | 108.6 | V115 R117 | I67-V115 PolarHBondContact N-O 2.81Å; I67-V115 PolarHBondContact O-N 3.06Å; I67-R117 HydrophobicContact CB-CG 4.28Å; I67-R117 HydrophobicContact CD1-CB 4.04Å; I67-R117 HydrophobicContact CD1-CG 3.36Å; I67-R117 VanDerWaalsContact CG1-CD 3.4Å; I67-R117 HydrophobicContact CG1-CG 3.47Å; I67-R117 VanDerWaalsContact CG1-CG 3.47Å |
| 68 | Y | 80.8 | Confident | 67.6 | Low | 136 Ų | 136 | 92.3 Ų | 92.3 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.1 | 171.2 | -62.4 | -82.1 | 0 | 0 | 0 | 109.8 | I66 A96 I113 P114 | I66-Y68 HydrophobicContact CG2-CE1 4.28Å; I66-Y68 HydrophobicContact CG2-CE2 4.43Å; Y68-A96 HydrophobicContact CE1-CB 4.13Å; Y68-I113 WeakPolarHBondContact CA-O 3.18Å; Y68-P114 HydrophobicContact CD1-CB 4.38Å; Y68-P114 HydrophobicContact CE1-CB 4.16Å |
| 69 | L | 76.2 | Confident | 68.8 | Low | 35 Ų | 35 | 88.5 Ų | 88.5 | 18% | 0.183 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.1 | 169 | -178.1 | 72.6 | 0 | 0 | 0 | 109.6 | Y86 K112 I113 V115 H125 | L69-Y86 HydrophobicContact CD2-CD1 3.7Å; L69-Y86 HydrophobicContact CD2-CE1 3.06Å; L69-K112 CarbonylContact O-C 3.59Å; L69-K112 WeakPolarHBondContact O-CA 3.27Å; L69-I113 PolarHBondContact N-O 3.31Å; L69-I113 PolarHBondContact O-N 3.23Å; L69-V115 HydrophobicContact CB-CG2 4.17Å; L69-H125 WeakPolarHBondContact CD2-NE2 3.27Å |
| 70 | S | 78.9 | Confident | 70.3 | Confident | 89 Ų | 89 | 89.3 Ų | 89.3 | 62% | 0.622 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.6 | 173 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | I111 | S70-I111 WeakPolarHBondContact CA-O 3.41Å |
| 71 | R | 75.9 | Confident | 71.8 | Confident | 52 Ų | 52 | 84.6 Ų | 84.6 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.8 | 178.2 | -176 | -151.6 | -177.7 | -103.6 | 9.9 | 109.5 | D77 S110 I111 I113 | R71-D77 IonicContact CZ-OD1 3.58Å; R71-D77 IonicContact CZ-OD2 2.7Å; R71-D77 IonicContact NH1-OD2 3.12Å; R71-D77 PolarHBondContact NH1-OD2 3.48Å; R71-D77 IonicContact NH2-OD1 2.66Å; R71-D77 PolarHBondContact NH2-OD1 3.09Å; R71-D77 IonicContact NH2-OD2 2.72Å; R71-D77 PolarHBondContact NH2-OD2 3.45Å; R71-S110 CarbonylContact O-C 3.59Å; R71-S110 WeakPolarHBondContact O-CA 3.18Å; R71-I111 HydrophobicContact CB-CG2 4.2Å; R71-I111 PolarHBondContact N-O 3.19Å; R71-I111 PolarHBondContact O-N 2.96Å; R71-I113 HydrophobicContact CB-CD1 3.93Å |
| 72 | D | 76.1 | Confident | 73.2 | Confident | 109 Ų | 109 | 77.9 Ų | 77.9 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.4 | 170.6 | -64.8 | -29.1 | 0 | 0 | 0 | 110.4 | R109 | D72-R109 CarbonylContact C-O 3.52Å; D72-R109 WeakPolarHBondContact CA-O 3.3Å |
| 73 | V | 74.4 | Confident | 74.5 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 126 | 178.8 | 180 | 0 | 0 | 0 | 0 | 108.4 | F105 L108 R109 I111 | V73-F105 HydrophobicContact CG1-CE1 3.75Å; V73-F105 HydrophobicContact CG1-CE2 4.06Å; V73-F105 HydrophobicContact CG1-CZ 3.51Å; V73-F105 HydrophobicContact CG2-CE2 3.96Å; V73-F105 HydrophobicContact CG2-CZ 4.21Å; V73-L108 WeakPolarHBondContact CB-O 3.12Å; V73-R109 PolarHBondContact N-O 3.44Å; V73-I111 HydrophobicContact CG2-CB 3.81Å; V73-I111 HydrophobicContact CG2-CG2 3.76Å |
| 74 | Q | 72.9 | Confident | 75.8 | Confident | 139 Ų | 139 | 71.5 Ų | 71.5 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 149 | 173.6 | -61.3 | -171.6 | -16.5 | 0 | 0 | 110.6 | G76 D77 | Q74-G76 PolarHBondContact O-N 3.37Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.34Å; Q74-D77 PolarHBondContact N-OD2 3.06Å; Q74-D77 PolarHBondContact O-N 3.42Å |
| 75 | E | 59.9 | Low | 76.9 | Confident | 206 Ų | 206 | 72.6 Ų | 72.6 | 96% | 0.963 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 94.4 | 175.3 | -66.7 | 174.6 | -166.3 | 0 | 0 | 109.7 | ||
| 76 | G | 68.6 | Low | 77.4 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 69% | 0.691 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.3 | -16 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q74 | Q74-G76 PolarHBondContact O-N 3.37Š|
| 77 | D | 74.9 | Confident | 77.6 | Confident | 27 Ų | 27 | 77.4 Ų | 77.4 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | trans | -71.6 | 148 | 166.3 | -68 | -52 | 0 | 0 | 0 | 110.4 | R71 Q74 I82 F105 | R71-D77 IonicContact CZ-OD1 3.58Å; R71-D77 IonicContact CZ-OD2 2.7Å; R71-D77 IonicContact NH1-OD2 3.12Å; R71-D77 PolarHBondContact NH1-OD2 3.48Å; R71-D77 IonicContact NH2-OD1 2.66Å; R71-D77 PolarHBondContact NH2-OD1 3.09Å; R71-D77 IonicContact NH2-OD2 2.72Å; R71-D77 PolarHBondContact NH2-OD2 3.45Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.34Å; Q74-D77 PolarHBondContact N-OD2 3.06Å; Q74-D77 PolarHBondContact O-N 3.42Å; D77-I82 HydrophobicContact CB-CD1 4.21Å; D77-I82 HydrophobicContact CB-CG1 4.44Å; D77-F105 HydrophobicContact CB-CZ 4.28Å; D77-F105 VanDerWaalsContact O-CE1 3.31Å; D77-F105 WeakPolarHBondContact O-CE1 3.29Å | ||
| 78 | T | 84.1 | Confident | 77.8 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | trans | -119.5 | 154.6 | 169.5 | 57.9 | 0 | 0 | 0 | 0 | 108.1 | N80 S81 I82 | T78-N80 PolarHBondContact O-N 2.86Å; T78-N80 VanDerWaalsContact O-N 3.1Å; T78-S81 PolarHBondContact N-OG 3.28Å; T78-S81 PolarHBondContact O-N 3.47Å; T78-S81 PolarHBondContact O-OG 3.13Å; T78-S81 PolarHBondContact OG1-N 2.91Å; T78-S81 PolarHBondContact OG1-OG 3.37Å; T78-I82 PolarHBondContact O-N 3.25Å; T78-I82 VanDerWaalsContact O-N 3.07Å | ||
| 79 | L | 79.8 | Confident | 77.9 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.7 | -30.1 | 174 | -166.9 | 60.9 | 0 | 0 | 0 | 111.9 | A83 V90 I93 K94 F105 I111 | L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.95Å; L79-V90 HydrophobicContact CD2-CG1 3.63Å; L79-V90 HydrophobicContact CG-CG1 3.95Å; L79-I93 HydrophobicContact CD1-CB 3.88Å; L79-I93 HydrophobicContact CD1-CD1 3.97Å; L79-I93 HydrophobicContact CD1-CG2 3.5Å; L79-K94 HydrophobicContact CD2-CD 4.11Å; L79-K94 VanDerWaalsContact CD2-CE 3.42Å; L79-K94 HydrophobicContact CD2-CG 3.5Å; L79-F105 HydrophobicContact CB-CD2 4.32Å; L79-F105 HydrophobicContact CB-CE2 4.5Å; L79-F105 HydrophobicContact CB-CG 4.48Å; L79-F105 HydrophobicContact CD1-CD2 3.9Å; L79-F105 HydrophobicContact CD1-CE2 4.06Å; L79-I111 HydrophobicContact CD1-CD1 3.67Å |
| 80 | N | 85 | Confident | 78.1 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.6 | -44.3 | 174.1 | -169.3 | 52.4 | 0 | 0 | 0 | 112.8 | T78 I82 A83 L84 | T78-N80 PolarHBondContact O-N 2.86Å; T78-N80 VanDerWaalsContact O-N 3.1Å; N80-I82 VanDerWaalsContact C-N 3.29Å; N80-I82 PolarHBondContact O-N 3.44Å; N80-A83 PolarHBondContact O-N 2.69Å; N80-L84 VanDerWaalsContact O-CG 3.27Å; N80-L84 WeakPolarHBondContact O-CG 3.47Å; N80-L84 PolarHBondContact O-N 3.33Å |
| 81 | S | 85.4 | Confident | 78.1 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 177.3 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | T78 L84 Q85 | T78-S81 PolarHBondContact N-OG 3.28Å; T78-S81 PolarHBondContact O-N 3.47Å; T78-S81 PolarHBondContact O-OG 3.13Å; T78-S81 PolarHBondContact OG1-N 2.91Å; T78-S81 PolarHBondContact OG1-OG 3.37Å; S81-L84 PolarHBondContact O-N 3.04Å; S81-Q85 VanDerWaalsContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CB 3.46Å; S81-Q85 PolarHBondContact O-N 3.42Å |
| 82 | I | 81 | Confident | 78.3 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 175.3 | -62.8 | 177.1 | 0 | 0 | 0 | 111 | D77 T78 N80 L84 Q85 Y86 I93 F105 I111 I113 | D77-I82 HydrophobicContact CB-CD1 4.21Å; D77-I82 HydrophobicContact CB-CG1 4.44Å; T78-I82 PolarHBondContact O-N 3.25Å; T78-I82 VanDerWaalsContact O-N 3.07Å; N80-I82 VanDerWaalsContact C-N 3.29Å; N80-I82 PolarHBondContact O-N 3.44Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 3.49Å; I82-Q85 PolarHBondContact O-N 2.77Å; I82-Y86 HydrophobicContact CG2-CD2 3.72Å; I82-Y86 HydrophobicContact CG2-CE2 4.06Å; I82-Y86 VanDerWaalsContact O-CD2 3.3Å; I82-Y86 WeakPolarHBondContact O-CD2 3.49Å; I82-Y86 PolarHBondContact O-N 2.95Å; I82-I93 HydrophobicContact CG2-CD1 4.3Å; I82-F105 HydrophobicContact CD1-CE2 3.69Å; I82-F105 HydrophobicContact CD1-CZ 3.56Å; I82-I111 HydrophobicContact CD1-CG2 4.22Å; I82-I113 HydrophobicContact CG2-CD1 3.34Å; I82-I113 HydrophobicContact CG2-CG1 3.87Å |
| 83 | A | 83.1 | Confident | 78.5 | Confident | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.1 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L79 N80 H87 C88 V90 I93 | L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.95Å; N80-A83 PolarHBondContact O-N 2.69Å; A83-H87 WeakPolarHBondContact O-CA 3.36Å; A83-H87 PolarHBondContact O-N 3.36Å; A83-C88 CarbonylContact C-O 3.54Å; A83-C88 WeakPolarHBondContact CA-O 3.42Å; A83-C88 VanDerWaalsContact CB-O 3.25Å; A83-C88 WeakPolarHBondContact CB-O 3.42Å; A83-C88 PolarHBondContact O-N 3.06Å; A83-V90 HydrophobicContact CB-CG2 3.57Å; A83-I93 HydrophobicContact CB-CD1 3.87Å |
| 84 | L | 83.4 | Confident | 78.8 | Confident | 115 Ų | 115 | 64.4 Ų | 64.4 | 60% | 0.602 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.2 | -44 | 176 | -67.7 | 171.8 | 0 | 0 | 0 | 111.9 | N80 S81 I82 Y86 H87 | N80-L84 VanDerWaalsContact O-CG 3.27Å; N80-L84 WeakPolarHBondContact O-CG 3.47Å; N80-L84 PolarHBondContact O-N 3.33Å; S81-L84 PolarHBondContact O-N 3.04Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 3.49Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.27Å; L84-H87 PolarHBondContact O-N 3.07Å |
| 85 | Q | 81.2 | Confident | 79 | Confident | 137 Ų | 137 | 65.7 Ų | 65.7 | 64% | 0.64 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.3 | -36.5 | -179 | -176.3 | 61.2 | 73.1 | 0 | 0 | 113.1 | S81 I82 | S81-Q85 VanDerWaalsContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CB 3.46Å; S81-Q85 PolarHBondContact O-N 3.42Å; I82-Q85 PolarHBondContact O-N 2.77Å |
| 86 | Y | 76.1 | Confident | 79.7 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 10.3 | -176.5 | -66.1 | -79.2 | 0 | 0 | 0 | 113.2 | L69 I82 L84 C88 I113 | L69-Y86 HydrophobicContact CD2-CD1 3.7Å; L69-Y86 HydrophobicContact CD2-CE1 3.06Å; I82-Y86 HydrophobicContact CG2-CD2 3.72Å; I82-Y86 HydrophobicContact CG2-CE2 4.06Å; I82-Y86 VanDerWaalsContact O-CD2 3.3Å; I82-Y86 WeakPolarHBondContact O-CD2 3.49Å; I82-Y86 PolarHBondContact O-N 2.95Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.27Å; Y86-C88 PolarHBondContact O-N 2.94Å; Y86-C88 VanDerWaalsContact O-N 3.12Å; Y86-I113 HydrophobicContact CD2-CD1 3.57Å; Y86-I113 HydrophobicContact CD2-CG2 4.43Å; Y86-I113 HydrophobicContact CE2-CD1 3.57Å; Y86-I113 HydrophobicContact CG-CD1 4.14Å; Y86-I113 HydrophobicContact CG-CG2 4.09Å |
| 87 | H | 75.8 | Confident | 79.9 | Confident | 132 Ų | 132 | 55.3 Ų | 55.3 | 61% | 0.611 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 40.3 | -179.5 | -60.5 | -73.2 | 0 | 0 | 0 | 113.6 | A83 L84 | A83-H87 WeakPolarHBondContact O-CA 3.36Å; A83-H87 PolarHBondContact O-N 3.36Å; L84-H87 PolarHBondContact O-N 3.07Å |
| 88 | C | 79.4 | Confident | 79.8 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | trans | -115.6 | 152.6 | 179.9 | 53.7 | 0 | 0 | 0 | 0 | 110 | A83 Y86 I93 I113 | A83-C88 CarbonylContact C-O 3.54Å; A83-C88 WeakPolarHBondContact CA-O 3.42Å; A83-C88 VanDerWaalsContact CB-O 3.25Å; A83-C88 WeakPolarHBondContact CB-O 3.42Å; A83-C88 PolarHBondContact O-N 3.06Å; Y86-C88 PolarHBondContact O-N 2.94Å; Y86-C88 VanDerWaalsContact O-N 3.12Å; C88-I93 HydrophobicContact CB-CG1 4.42Å; C88-I93 WeakPolarHBondContact SG-CD1 3.47Å; C88-I93 VanDerWaalsContact SG-CG1 3.59Å; C88-I113 HydrophobicContact CB-CG2 4.41Å; C88-I113 WeakPolarHBondContact SG-CG2 3.47Å | ||
| 89 | S | 82.8 | Confident | 79.1 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | trans | -76 | 140.8 | 177.8 | 81.4 | 0 | 0 | 0 | 0 | 109.9 | A91 D92 I93 | S89-A91 PolarHBondContact O-N 3.39Å; S89-A91 VanDerWaalsContact O-N 3.15Å; S89-D92 WeakPolarHBondContact O-CB 3.45Å; S89-D92 PolarHBondContact O-N 3.01Å; S89-D92 WeakPolarHBondContact OG-CB 3.3Å; S89-D92 PolarHBondContact OG-N 2.98Å; S89-D92 PolarHBondContact OG-OD2 3.48Å; S89-I93 PolarHBondContact O-N 3.27Å; S89-I93 VanDerWaalsContact O-N 3.14Å | ||
| 90 | V | 81.9 | Confident | 78.1 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -52.8 | -37.4 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L79 A83 D92 I93 K94 | L79-V90 HydrophobicContact CD2-CG1 3.63Å; L79-V90 HydrophobicContact CG-CG1 3.95Å; A83-V90 HydrophobicContact CB-CG2 3.57Å; V90-D92 PolarHBondContact O-N 3.29Å; V90-I93 PolarHBondContact O-N 2.98Å; V90-K94 HydrophobicContact CG1-CD 4.18Å; V90-K94 HydrophobicContact CG1-CG 4.31Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.47Å |
| 91 | A | 79.3 | Confident | 77 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S89 R95 | S89-A91 PolarHBondContact O-N 3.39Å; S89-A91 VanDerWaalsContact O-N 3.15Å; A91-R95 WeakPolarHBondContact O-CB 3.38Å; A91-R95 WeakPolarHBondContact O-CG 3.49Å; A91-R95 PolarHBondContact O-N 3.02Å |
| 92 | D | 79.8 | Confident | 76 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 177.5 | -67.1 | -38.8 | 0 | 0 | 0 | 111.5 | S89 V90 R95 A96 P114 | S89-D92 WeakPolarHBondContact O-CB 3.45Å; S89-D92 PolarHBondContact O-N 3.01Å; S89-D92 WeakPolarHBondContact OG-CB 3.3Å; S89-D92 PolarHBondContact OG-N 2.98Å; S89-D92 PolarHBondContact OG-OD2 3.48Å; V90-D92 PolarHBondContact O-N 3.29Å; D92-R95 PolarHBondContact O-N 3.44Å; D92-R95 IonicContact OD1-NH1 2.66Å; D92-R95 PolarHBondContact OD1-NH1 3.06Å; D92-A96 WeakPolarHBondContact O-CB 3.42Å; D92-A96 PolarHBondContact O-N 2.97Å; D92-P114 HydrophobicContact CB-CG 3.81Å |
| 93 | I | 80.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 175.7 | -48.1 | 170.7 | 0 | 0 | 0 | 111 | L79 I82 A83 C88 S89 V90 R95 A96 N97 I111 | L79-I93 HydrophobicContact CD1-CB 3.88Å; L79-I93 HydrophobicContact CD1-CD1 3.97Å; L79-I93 HydrophobicContact CD1-CG2 3.5Å; I82-I93 HydrophobicContact CG2-CD1 4.3Å; A83-I93 HydrophobicContact CB-CD1 3.87Å; C88-I93 HydrophobicContact CB-CG1 4.42Å; C88-I93 WeakPolarHBondContact SG-CD1 3.47Å; C88-I93 VanDerWaalsContact SG-CG1 3.59Å; S89-I93 PolarHBondContact O-N 3.27Å; S89-I93 VanDerWaalsContact O-N 3.14Å; V90-I93 PolarHBondContact O-N 2.98Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 3.36Å; I93-A96 PolarHBondContact O-N 3.5Å; I93-N97 PolarHBondContact O-N 2.92Å; I93-N97 VanDerWaalsContact O-N 3.11Å; I93-N97 PolarHBondContact O-ND2 2.99Å; I93-I111 HydrophobicContact CG2-CD1 3.44Å; I93-I111 VanDerWaalsContact CG2-CD1 3.44Å; I93-I111 HydrophobicContact CG2-CG1 3.9Å |
| 94 | K | 79.9 | Confident | 74 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 175.7 | -72.2 | -172.9 | -179.4 | -179.1 | 0 | 110.8 | L79 V90 N97 N98 L99 E102 | L79-K94 HydrophobicContact CD2-CD 4.11Å; L79-K94 VanDerWaalsContact CD2-CE 3.42Å; L79-K94 HydrophobicContact CD2-CG 3.5Å; V90-K94 HydrophobicContact CG1-CD 4.18Å; V90-K94 HydrophobicContact CG1-CG 4.31Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.47Å; K94-N97 PolarHBondContact O-N 3.19Å; K94-N98 WeakPolarHBondContact O-CA 3.47Å; K94-N98 PolarHBondContact O-N 2.86Å; K94-L99 HydrophobicContact CB-CB 4.46Å; K94-L99 HydrophobicContact CG-CB 4.38Å; K94-L99 PolarHBondContact O-N 2.88Å; K94-E102 IonicContact NZ-OE1 3.85Å; K94-E102 PolarHBondContact NZ-OE1 3.07Å |
| 95 | R | 77.6 | Confident | 73.2 | Confident | 166 Ų | 166 | 71.1 Ų | 71.1 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 176.5 | -77 | 171.6 | 57.1 | -112 | -9.5 | 113 | A91 D92 I93 N97 | A91-R95 WeakPolarHBondContact O-CB 3.38Å; A91-R95 WeakPolarHBondContact O-CG 3.49Å; A91-R95 PolarHBondContact O-N 3.02Å; D92-R95 PolarHBondContact O-N 3.44Å; D92-R95 IonicContact OD1-NH1 2.66Å; D92-R95 PolarHBondContact OD1-NH1 3.06Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 3.36Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 2.68Å |
| 96 | A | 74.1 | Confident | 72.4 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.5 | -28.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y68 D92 I93 P114 | Y68-A96 HydrophobicContact CE1-CB 4.13Å; D92-A96 WeakPolarHBondContact O-CB 3.42Å; D92-A96 PolarHBondContact O-N 2.97Å; I93-A96 PolarHBondContact O-N 3.5Å; A96-P114 HydrophobicContact CB-CG 3.97Å |
| 97 | N | 72.9 | Confident | 72 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -108.3 | 3.1 | -177.6 | -65.2 | -80.9 | 0 | 0 | 0 | 114 | I93 K94 R95 L99 L108 I111 K112 | I93-N97 PolarHBondContact O-N 2.92Å; I93-N97 VanDerWaalsContact O-N 3.11Å; I93-N97 PolarHBondContact O-ND2 2.99Å; K94-N97 PolarHBondContact O-N 3.19Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 2.68Å; N97-L99 HydrophobicContact CB-CD1 3.99Å; N97-L99 HydrophobicContact CB-CD2 4.48Å; N97-L99 HydrophobicContact CB-CG 3.77Å; N97-L99 PolarHBondContact O-N 3.3Å; N97-L108 HydrophobicContact CB-CD1 4.5Å; N97-I111 VanDerWaalsContact ND2-CG1 3.31Å; N97-I111 WeakPolarHBondContact ND2-CG1 3.35Å; N97-K112 PolarHBondContact ND2-O 3.11Å; N97-K112 WeakPolarHBondContact OD1-CB 3.42Å; N97-K112 PolarHBondContact OD1-N 3Å |
| 98 | N | 71.6 | Confident | 71.6 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 35.3 | -175.1 | -64.9 | 103.5 | 0 | 0 | 0 | 113.6 | K94 L100 | K94-N98 WeakPolarHBondContact O-CA 3.47Å; K94-N98 PolarHBondContact O-N 2.86Å; N98-L100 PolarHBondContact O-N 2.9Å |
| 99 | L | 71.1 | Confident | 70.8 | Confident | 12 Ų | 12 | 78.5 Ų | 78.5 | 6% | 0.063 | 40% | 0.404 | C | S | . | . | trans | -79.3 | 112.6 | 178.1 | -61.2 | 171.9 | 0 | 0 | 0 | 109.4 | K94 N97 D104 F105 L108 I111 | K94-L99 HydrophobicContact CB-CB 4.46Å; K94-L99 HydrophobicContact CG-CB 4.38Å; K94-L99 PolarHBondContact O-N 2.88Å; N97-L99 HydrophobicContact CB-CD1 3.99Å; N97-L99 HydrophobicContact CB-CD2 4.48Å; N97-L99 HydrophobicContact CB-CG 3.77Å; N97-L99 PolarHBondContact O-N 3.3Å; L99-D104 HydrophobicContact CD2-CB 3.62Å; L99-F105 HydrophobicContact CD1-CB 4.16Å; L99-F105 HydrophobicContact CD1-CD2 4.29Å; L99-L108 HydrophobicContact CD2-CD1 3.63Å; L99-L108 HydrophobicContact CD2-CG 4.34Å; L99-I111 HydrophobicContact CD1-CD1 4.24Å | ||
| 100 | L | 57.5 | Low | 70.2 | Confident | 160 Ų | 160 | 79.1 Ų | 79.1 | 84% | 0.838 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -83 | -30.9 | 177.1 | -123.9 | 67.7 | 0 | 0 | 0 | 110.9 | N98 D104 | N98-L100 PolarHBondContact O-N 2.9Å; L100-D104 PolarHBondContact N-OD2 2.71Å |
| 101 | T | 62.5 | Low | 70 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -132.6 | 158.9 | 178.7 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | Q103 D104 | T101-Q103 PolarHBondContact O-N 3.48Å; T101-D104 PolarHBondContact N-OD2 3.33Å; T101-D104 PolarHBondContact O-N 3.16Å; T101-D104 PolarHBondContact OG1-N 2.96Å; T101-D104 PolarHBondContact OG1-OD1 2.83Å; T101-D104 PolarHBondContact OG1-OD2 3.46Å |
| 102 | E | 63.4 | Low | 69.9 | Low | 121 Ų | 121 | 80 Ų | 80 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68 | -15.4 | 173.2 | -73.5 | 169.3 | -164 | 0 | 0 | 112.4 | K94 F105 F106 | K94-E102 IonicContact NZ-OE1 3.85Å; K94-E102 PolarHBondContact NZ-OE1 3.07Å; E102-F105 WeakPolarHBondContact O-CB 3.48Å; E102-F106 WeakPolarHBondContact O-CD2 3.39Å; E102-F106 WeakPolarHBondContact O-CE2 3.38Å |
| 103 | Q | 62.6 | Low | 69.9 | Low | 156 Ų | 156 | 78.1 Ų | 78.1 | 73% | 0.729 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.7 | -34.6 | 174.2 | -168 | 173.3 | -15.2 | 0 | 0 | 111.9 | T101 F105 F106 A107 | T101-Q103 PolarHBondContact O-N 3.48Å; Q103-F105 PolarHBondContact O-N 3.19Å; Q103-F106 PolarHBondContact O-N 2.66Å; Q103-F106 VanDerWaalsContact O-N 3.12Å; Q103-A107 PolarHBondContact O-N 2.88Å |
| 104 | D | 61.4 | Low | 69.7 | Low | 64 Ų | 64 | 78.8 Ų | 78.8 | 34% | 0.342 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -26.4 | 175.3 | -58.1 | -39.7 | 0 | 0 | 0 | 111.9 | L99 L100 T101 A107 L108 | L99-D104 HydrophobicContact CD2-CB 3.62Å; L100-D104 PolarHBondContact N-OD2 2.71Å; T101-D104 PolarHBondContact N-OD2 3.33Å; T101-D104 PolarHBondContact O-N 3.16Å; T101-D104 PolarHBondContact OG1-N 2.96Å; T101-D104 PolarHBondContact OG1-OD1 2.83Å; T101-D104 PolarHBondContact OG1-OD2 3.46Å; D104-A107 PolarHBondContact O-N 3.32Å; D104-L108 PolarHBondContact O-N 3.01Å |
| 105 | F | 66.1 | Low | 69.4 | Low | 3 Ų | 3 | 76.7 Ų | 76.7 | 1% | 0.013 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.9 | 170.4 | -97.9 | 0 | 0 | 0 | 111.8 | V73 D77 L79 I82 L99 E102 Q103 A107 L108 I111 | V73-F105 HydrophobicContact CG1-CE1 3.75Å; V73-F105 HydrophobicContact CG1-CE2 4.06Å; V73-F105 HydrophobicContact CG1-CZ 3.51Å; V73-F105 HydrophobicContact CG2-CE2 3.96Å; V73-F105 HydrophobicContact CG2-CZ 4.21Å; D77-F105 HydrophobicContact CB-CZ 4.28Å; D77-F105 VanDerWaalsContact O-CE1 3.31Å; D77-F105 WeakPolarHBondContact O-CE1 3.29Å; L79-F105 HydrophobicContact CB-CD2 4.32Å; L79-F105 HydrophobicContact CB-CE2 4.5Å; L79-F105 HydrophobicContact CB-CG 4.48Å; L79-F105 HydrophobicContact CD1-CD2 3.9Å; L79-F105 HydrophobicContact CD1-CE2 4.06Å; I82-F105 HydrophobicContact CD1-CE2 3.69Å; I82-F105 HydrophobicContact CD1-CZ 3.56Å; L99-F105 HydrophobicContact CD1-CB 4.16Å; L99-F105 HydrophobicContact CD1-CD2 4.29Å; E102-F105 WeakPolarHBondContact O-CB 3.48Å; Q103-F105 PolarHBondContact O-N 3.19Å; F105-A107 VanDerWaalsContact C-N 3.26Å; F105-A107 PolarHBondContact O-N 2.74Å; F105-L108 PolarHBondContact O-N 3.33Å; F105-I111 HydrophobicContact CD2-CD1 3.6Å; F105-I111 HydrophobicContact CE2-CD1 3.51Å |
| 106 | F | 64.6 | Low | 69.1 | Low | 126 Ų | 126 | 76.1 Ų | 76.1 | 55% | 0.553 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -74.8 | -16.5 | 178.4 | -63.2 | -75.5 | 0 | 0 | 0 | 113 | E102 Q103 | E102-F106 WeakPolarHBondContact O-CD2 3.39Å; E102-F106 WeakPolarHBondContact O-CE2 3.38Å; Q103-F106 PolarHBondContact O-N 2.66Å; Q103-F106 VanDerWaalsContact O-N 3.12Å |
| 107 | A | 66.4 | Low | 68.3 | Low | 83 Ų | 83 | 79.5 Ų | 79.5 | 69% | 0.686 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -81.4 | -18.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q103 D104 F105 | Q103-A107 PolarHBondContact O-N 2.88Å; D104-A107 PolarHBondContact O-N 3.32Å; F105-A107 VanDerWaalsContact C-N 3.26Å; F105-A107 PolarHBondContact O-N 2.74Å |
| 108 | L | 67.4 | Low | 67.4 | Low | 66 Ų | 66 | 85.4 Ų | 85.4 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | trans | -91.6 | 128.7 | -179.6 | -65.6 | -175.6 | 0 | 0 | 0 | 111.6 | V73 N97 L99 D104 F105 S110 | V73-L108 WeakPolarHBondContact CB-O 3.12Å; N97-L108 HydrophobicContact CB-CD1 4.5Å; L99-L108 HydrophobicContact CD2-CD1 3.63Å; L99-L108 HydrophobicContact CD2-CG 4.34Å; D104-L108 PolarHBondContact O-N 3.01Å; F105-L108 PolarHBondContact O-N 3.33Å; L108-S110 VanDerWaalsContact C-N 3.34Å | ||
| 109 | R | 63.6 | Low | 66.5 | Low | 214 Ų | 214 | 82.8 Ų | 82.8 | 81% | 0.808 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -74 | -24.3 | 172.5 | -173.7 | 175.2 | 169.2 | 109.1 | -0.9 | 112.7 | D72 V73 | D72-R109 CarbonylContact C-O 3.52Å; D72-R109 WeakPolarHBondContact CA-O 3.3Å; V73-R109 PolarHBondContact N-O 3.44Å |
| 110 | S | 69.6 | Low | 65.7 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 143.5 | 180 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | R71 L108 | R71-S110 CarbonylContact O-C 3.59Å; R71-S110 WeakPolarHBondContact O-CA 3.18Å; L108-S110 VanDerWaalsContact C-N 3.34Å |
| 111 | I | 78.7 | Confident | 65.5 | Low | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.005 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.4 | -175.6 | -167.3 | 164.7 | 0 | 0 | 0 | 111.8 | S70 R71 V73 L79 I82 I93 N97 L99 F105 I113 | S70-I111 WeakPolarHBondContact CA-O 3.41Å; R71-I111 HydrophobicContact CB-CG2 4.2Å; R71-I111 PolarHBondContact N-O 3.19Å; R71-I111 PolarHBondContact O-N 2.96Å; V73-I111 HydrophobicContact CG2-CB 3.81Å; V73-I111 HydrophobicContact CG2-CG2 3.76Å; L79-I111 HydrophobicContact CD1-CD1 3.67Å; I82-I111 HydrophobicContact CD1-CG2 4.22Å; I93-I111 HydrophobicContact CG2-CD1 3.44Å; I93-I111 VanDerWaalsContact CG2-CD1 3.44Å; I93-I111 HydrophobicContact CG2-CG1 3.9Å; N97-I111 VanDerWaalsContact ND2-CG1 3.31Å; N97-I111 WeakPolarHBondContact ND2-CG1 3.35Å; L99-I111 HydrophobicContact CD1-CD1 4.24Å; F105-I111 HydrophobicContact CD2-CD1 3.6Å; F105-I111 HydrophobicContact CE2-CD1 3.51Å; I111-I113 HydrophobicContact CG2-CD1 4.16Å; I111-I113 HydrophobicContact CG2-CG1 4.15Å |
| 112 | K | 77.3 | Confident | 65.1 | Low | 116 Ų | 116 | 85.3 Ų | 85.3 | 50% | 0.504 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.1 | 176.4 | -63.5 | 178.2 | -179.9 | 174.7 | 0 | 110.5 | L69 N97 P114 | L69-K112 CarbonylContact O-C 3.59Å; L69-K112 WeakPolarHBondContact O-CA 3.27Å; N97-K112 PolarHBondContact ND2-O 3.11Å; N97-K112 WeakPolarHBondContact OD1-CB 3.42Å; N97-K112 PolarHBondContact OD1-N 3Å; K112-P114 WeakPolarHBondContact O-CD 3.49Å |
| 113 | I | 79.9 | Confident | 64.5 | Low | 0 Ų | 0 | 88.7 Ų | 88.7 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.4 | -175.6 | -59.7 | 158.8 | 0 | 0 | 0 | 108.2 | Y68 L69 R71 I82 Y86 C88 I111 V115 | Y68-I113 WeakPolarHBondContact CA-O 3.18Å; L69-I113 PolarHBondContact N-O 3.31Å; L69-I113 PolarHBondContact O-N 3.23Å; R71-I113 HydrophobicContact CB-CD1 3.93Å; I82-I113 HydrophobicContact CG2-CD1 3.34Å; I82-I113 HydrophobicContact CG2-CG1 3.87Å; Y86-I113 HydrophobicContact CD2-CD1 3.57Å; Y86-I113 HydrophobicContact CD2-CG2 4.43Å; Y86-I113 HydrophobicContact CE2-CD1 3.57Å; Y86-I113 HydrophobicContact CG-CD1 4.14Å; Y86-I113 HydrophobicContact CG-CG2 4.09Å; C88-I113 HydrophobicContact CB-CG2 4.41Å; C88-I113 WeakPolarHBondContact SG-CG2 3.47Å; I111-I113 HydrophobicContact CG2-CD1 4.16Å; I111-I113 HydrophobicContact CG2-CG1 4.15Å; I113-V115 HydrophobicContact CG2-CG2 4.03Å; I113-V115 PolarHBondContact O-N 3.28Å |
| 114 | P | 74.9 | Confident | 63.9 | Low | 14 Ų | 14 | 87.2 Ų | 87.2 | 9% | 0.091 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 105.6 | 173.4 | 29.5 | -31.7 | 0 | 0 | 0 | 109.3 | I66 Y68 D92 A96 K112 | I66-P114 HydrophobicContact CG2-CB 3.37Å; Y68-P114 HydrophobicContact CD1-CB 4.38Å; Y68-P114 HydrophobicContact CE1-CB 4.16Å; D92-P114 HydrophobicContact CB-CG 3.81Å; A96-P114 HydrophobicContact CB-CG 3.97Å; K112-P114 WeakPolarHBondContact O-CD 3.49Å |
| 115 | V | 73.4 | Confident | 63.5 | Low | 12 Ų | 12 | 87.9 Ų | 87.9 | 7% | 0.073 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.9 | 175.4 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | I67 L69 I113 T122 | I67-V115 PolarHBondContact N-O 2.81Å; I67-V115 PolarHBondContact O-N 3.06Å; L69-V115 HydrophobicContact CB-CG2 4.17Å; I113-V115 HydrophobicContact CG2-CG2 4.03Å; I113-V115 PolarHBondContact O-N 3.28Å; V115-T122 HydrophobicContact CG1-CG2 3.55Å |
| 116 | R | 71.6 | Confident | 62.5 | Low | 155 Ų | 155 | 94.8 Ų | 94.8 | 59% | 0.585 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.7 | 173.8 | -64.2 | -177.3 | -176.2 | 156.1 | 5.2 | 109.1 | D65 F118 S119 | D65-R116 CarbonylContact O-C 3.57Å; D65-R116 VanDerWaalsContact O-CA 3.27Å; D65-R116 WeakPolarHBondContact O-CA 3.27Å; R116-F118 PolarHBondContact O-N 3.05Å; R116-S119 PolarHBondContact O-N 2.8Å |
| 117 | R | 58.1 | Low | 61.5 | Low | 99 Ų | 99 | 92.8 Ų | 92.8 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.5 | -168.7 | -42.6 | -168.5 | -103.6 | 109.8 | -3.7 | 114.4 | D64 D65 I67 | D64-R117 PolarHBondContact O-NE 3.16Å; D64-R117 PolarHBondContact O-NH2 3.42Å; D65-R117 WeakPolarHBondContact O-CG 3.33Å; D65-R117 PolarHBondContact O-N 3.32Å; D65-R117 WeakPolarHBondContact OD1-CB 3.3Å; D65-R117 WeakPolarHBondContact OD1-CG 3.43Å; D65-R117 IonicContact OD1-CZ 3.01Å; D65-R117 PolarHBondContact OD1-N 2.89Å; D65-R117 IonicContact OD1-NE 3.91Å; D65-R117 IonicContact OD1-NH1 2.89Å; D65-R117 PolarHBondContact OD2-N 3.12Å; I67-R117 HydrophobicContact CB-CG 4.28Å; I67-R117 HydrophobicContact CD1-CB 4.04Å; I67-R117 HydrophobicContact CD1-CG 3.36Å; I67-R117 VanDerWaalsContact CG1-CD 3.4Å; I67-R117 HydrophobicContact CG1-CG 3.47Å; I67-R117 VanDerWaalsContact CG1-CG 3.47Å |
| 118 | F | 53.4 | Low | 60.5 | Low | 150 Ų | 150 | 91.6 Ų | 91.6 | 66% | 0.658 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | 28.3 | -177.8 | -52.6 | -64.3 | 0 | 0 | 0 | 115.1 | D65 R116 | D65-F118 VanDerWaalsContact CG-CD2 3.49Å; D65-F118 WeakPolarHBondContact OD1-CD2 3.19Å; D65-F118 WeakPolarHBondContact OD1-CE2 3.47Å; D65-F118 WeakPolarHBondContact OD2-CD2 3.44Å; R116-F118 PolarHBondContact O-N 3.05Å |
| 119 | S | 53.7 | Low | 59.4 | Low | 52 Ų | 52 | 94.6 Ų | 94.6 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -73.3 | 125.1 | 156.7 | 175.2 | 0 | 0 | 0 | 0 | 107.4 | R116 L121 T122 | R116-S119 PolarHBondContact O-N 2.8Å; S119-L121 PolarHBondContact O-N 2.63Å; S119-T122 PolarHBondContact O-N 3.07Å; S119-T122 PolarHBondContact O-OG1 2.9Å |
| 120 | V | 53.5 | Low | 58.3 | Low | 139 Ų | 139 | 90.2 Ų | 90.2 | 84% | 0.842 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 8.7 | -169.4 | 174.5 | 0 | 0 | 0 | 0 | 116 | ||
| 121 | L | 54.2 | Low | 56.9 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | 1.1 | -173.4 | -57.8 | 177.3 | 0 | 0 | 0 | 115.1 | S119 E123 | S119-L121 PolarHBondContact O-N 2.63Å; L121-E123 VanDerWaalsContact C-N 3.27Å; L121-E123 PolarHBondContact O-N 2.87Å |
| 122 | T | 53.4 | Low | 55.2 | Low | 48 Ų | 48 | 102.4 Ų | 102.4 | 29% | 0.294 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -79.8 | 0.5 | 178.2 | 44 | 0 | 0 | 0 | 0 | 115.2 | V115 S119 T124 | V115-T122 HydrophobicContact CG1-CG2 3.55Å; S119-T122 PolarHBondContact O-N 3.07Å; S119-T122 PolarHBondContact O-OG1 2.9Å; T122-T124 PolarHBondContact O-N 2.91Å |
| 123 | E | 50.8 | Low | 53.2 | Low | 192 Ų | 192 | 103.4 Ų | 103.4 | 90% | 0.897 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -64.2 | -19.1 | -179.7 | -165.9 | 171.1 | 137.8 | 0 | 0 | 113.3 | L121 | L121-E123 VanDerWaalsContact C-N 3.27Å; L121-E123 PolarHBondContact O-N 2.87Å |
| 124 | T | 50.6 | Low | 51.3 | Low | 125 Ų | 125 | 108.1 Ų | 108.1 | 77% | 0.767 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -110.9 | -3.6 | -170.5 | 53.8 | 0 | 0 | 0 | 0 | 117.1 | T122 | T122-T124 PolarHBondContact O-N 2.91Š|
| 125 | H | 52.3 | Low | 50.4 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 36% | 0.356 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -110.6 | -1.7 | -173.5 | 98.8 | -88.4 | 0 | 0 | 0 | 116.8 | L69 | L69-H125 WeakPolarHBondContact CD2-NE2 3.27Š|
| 126 | N | 45.1 | Very low | 48.4 | Very low | 148 Ų | 148 | 119.5 Ų | 119.5 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -97.5 | 12.8 | 174.5 | -159.9 | 30.4 | 0 | 0 | 0 | 114.1 | ||
| 127 | A | 42.7 | Very low | 46.6 | Very low | 84 Ų | 84 | 115.4 Ų | 115.4 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.7 | 118.9 | 165 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 128 | G | 46.3 | Very low | 45.5 | Very low | 59 Ų | 59 | 117.2 Ų | 117.2 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P130 | G128-P130 VanDerWaalsContact O-CD 3.3Å; G128-P130 WeakPolarHBondContact O-CD 3.25Å |
| 129 | P | 44.2 | Very low | 44.7 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 119.8 | -165.7 | 22.5 | -32.9 | 0 | 0 | 0 | 113.2 | ||
| 130 | P | 40.8 | Very low | 43.7 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122.7 | 162 | 29.9 | -28.5 | 0 | 0 | 0 | 109.2 | G128 | G128-P130 VanDerWaalsContact O-CD 3.3Å; G128-P130 WeakPolarHBondContact O-CD 3.25Å |
| 131 | K | 39.1 | Very low | 43 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 138.9 | 171.4 | -64.5 | 174.3 | 178.7 | 175.2 | 0 | 110.4 | V133 | K131-V133 PolarHBondContact O-N 3.38Š|
| 132 | P | 43.1 | Very low | 42 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -76 | 116.8 | 171.8 | 29.6 | -29.6 | 0 | 0 | 0 | 109.3 | ||
| 133 | V | 36.3 | Very low | 41.1 | Very low | 137 Ų | 137 | 134 Ų | 134 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -114.3 | 121.3 | 162.8 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | K131 | K131-V133 PolarHBondContact O-N 3.38Š| ||
| 134 | S | 39.3 | Very low | 40.3 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -51.2 | 152.5 | -174.8 | -51.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 135 | P | 55.7 | Low | 39.4 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | trans | -91.7 | 109.4 | 168.9 | 34 | -25.3 | 0 | 0 | 0 | 110.1 | ||||
| 136 | T | 32 | Very low | 39.6 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -144.2 | 111.4 | 167.1 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 137 | G | 34.3 | Very low | 39 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 67.6 | 134 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 138 | V | 34.2 | Very low | 38.9 | Very low | 136 Ų | 136 | 133 Ų | 133 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | -164.1 | 121.3 | 52.5 | 166.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 139 | R | 37.3 | Very low | 39.2 | Very low | 220 Ų | 220 | 136 Ų | 136 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | 37.6 | 112.4 | 129.7 | -153.2 | -179.6 | -155.5 | 158.2 | 4.1 | 117.8 | |||||
| 140 | R | 32.8 | Very low | 39 | Very low | 247 Ų | 247 | 137.6 Ų | 137.6 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | -151.1 | 114.4 | 122.4 | -112.8 | -176 | -67.2 | 115.7 | -4 | 111.8 | |||||
| 141 | V | 39 | Very low | 39.3 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -77 | 132.5 | 170.7 | 169.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 142 | A | 32.2 | Very low | 38.9 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -159.4 | 93.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 143 | Q | 34.4 | Very low | 38.8 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 87.5 | 91.3 | 106.2 | -68.1 | -85.2 | -12.3 | 0 | 0 | 112.2 | |||||
| 144 | V | 34.7 | Very low | 38.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | -94.8 | 125.9 | 160.6 | -126.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 145 | S | 31.7 | Very low | 38.9 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -138 | 139.9 | 157.9 | -156 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 146 | P | 57 | Low | 38 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -93.9 | 159.2 | -159.9 | 37 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 147 | V | 31.1 | Very low | 38.3 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | 169.2 | 123.3 | 143.5 | 155 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 148 | A | 42 | Very low | 38.5 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -83.7 | 163 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 149 | P | 52.2 | Low | 38.7 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -139.9 | 177.5 | 27.1 | 33.1 | -8.9 | 0 | 0 | 0 | 116.5 | ||||
| 150 | L | 39.3 | Very low | 39.3 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -21.8 | 152.6 | 166.7 | -118.1 | 73.6 | 0 | 0 | 0 | 116.2 | ||||
| 151 | P | 47.8 | Very low | 40.3 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | -153.5 | 177.5 | 56 | 43.7 | -22.3 | 0 | 0 | 0 | 117.8 | |||||
| 152 | T | 30.3 | Very low | 40.9 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | 83.9 | 109.7 | 145.2 | -52.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 153 | E | 41.3 | Very low | 42.3 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | 51.8 | 115.1 | 135.9 | -41.4 | -92.1 | 104.5 | 0 | 0 | 119 | ||||
| 154 | S | 31.9 | Very low | 44 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | 161.3 | 134.8 | 109.7 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 155 | S | 46.3 | Very low | 45.9 | Very low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -49.6 | 140.6 | 173.8 | -42.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 156 | T | 35.6 | Very low | 48.1 | Very low | 118 Ų | 118 | 117.5 Ų | 117.5 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | -168.8 | 131.8 | 112.3 | 9.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 157 | D | 39.4 | Very low | 49.4 | Very low | 139 Ų | 139 | 114 Ų | 114 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | 76 | 124.6 | 142.3 | -52.7 | -27.5 | 0 | 0 | 0 | 121.4 | ||||
| 158 | S | 38.2 | Very low | 52 | Low | 120 Ų | 120 | 113.1 Ų | 113.1 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | trans | 102.3 | 90.2 | 153.9 | -47.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 159 | C | 38.7 | Very low | 54.2 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 57% | 0.574 | 68% | 0.683 | S | S | * | * | 167.1 | 106.9 | 113.9 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | S161 | C159-S161 PolarHBondContact O-N 3.01Å; C159-S161 WeakPolarHBondContact SG-CB 3.47Å; C159-S161 PolarHBondContact SG-OG 3.14Å | |||
| 160 | S | 48.8 | Very low | 55.7 | Low | 126 Ų | 126 | 113.9 Ų | 113.9 | 88% | 0.881 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 31.2 | 175.6 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 161 | S | 55.4 | Low | 58 | Low | 71 Ų | 71 | 110.5 Ų | 110.5 | 50% | 0.497 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.6 | -6.5 | -173.4 | -50.8 | 0 | 0 | 0 | 0 | 114.6 | C159 | C159-S161 PolarHBondContact O-N 3.01Å; C159-S161 WeakPolarHBondContact SG-CB 3.47Å; C159-S161 PolarHBondContact SG-OG 3.14Å |
| 162 | T | 51.6 | Low | 59.8 | Low | 99 Ų | 99 | 109.2 Ų | 109.2 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -82 | -27.3 | -179.6 | 57 | 0 | 0 | 0 | 0 | 113.1 | S164 V165 E166 | T162-S164 VanDerWaalsContact C-N 3.25Å; T162-S164 PolarHBondContact O-N 3.06Å; T162-V165 PolarHBondContact O-N 3.03Å; T162-E166 PolarHBondContact O-N 3.27Å; T162-E166 VanDerWaalsContact O-N 3.11Å |
| 163 | D | 61.1 | Low | 62.5 | Low | 136 Ų | 136 | 108.2 Ų | 108.2 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.2 | -33.1 | 178.4 | -168.2 | 38.9 | 0 | 0 | 0 | 112.2 | G167 | D163-G167 PolarHBondContact O-N 2.96Å |
| 164 | S | 69.3 | Low | 64.9 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72 | -36.9 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 113 | T162 F168 | T162-S164 VanDerWaalsContact C-N 3.25Å; T162-S164 PolarHBondContact O-N 3.06Å; S164-F168 VanDerWaalsContact O-CB 3.27Å; S164-F168 WeakPolarHBondContact O-CB 3.32Å; S164-F168 PolarHBondContact O-N 3.1Å |
| 165 | V | 76 | Confident | 67.5 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.7 | -42.8 | 179.9 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | T162 F168 L169 | T162-V165 PolarHBondContact O-N 3.03Å; V165-F168 PolarHBondContact O-N 3.37Å; V165-L169 HydrophobicContact CG1-CD1 4.32Å; V165-L169 WeakPolarHBondContact O-CG 3.21Å; V165-L169 PolarHBondContact O-N 2.94Å |
| 166 | E | 76.3 | Confident | 69.4 | Low | 143 Ų | 143 | 101 Ų | 101 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.2 | -41.1 | 178.4 | -163.6 | 161.7 | -175.6 | 0 | 0 | 111.3 | T162 L169 L170 | T162-E166 PolarHBondContact O-N 3.27Å; T162-E166 VanDerWaalsContact O-N 3.11Å; E166-L169 PolarHBondContact O-N 3.41Å; E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 PolarHBondContact O-N 3.49Å |
| 167 | G | 84.4 | Confident | 71.6 | Confident | 38 Ų | 38 | 100.6 Ų | 100.6 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.9 | -38.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | D163 E171 | D163-G167 PolarHBondContact O-N 2.96Å; G167-E171 WeakPolarHBondContact O-CB 3.36Å; G167-E171 PolarHBondContact O-N 3.19Å |
| 168 | F | 86.4 | Confident | 73.4 | Confident | 126 Ų | 126 | 99.6 Ų | 99.6 | 55% | 0.553 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.1 | -45.8 | 176.5 | 178.4 | -98.2 | 0 | 0 | 0 | 112.1 | S164 V165 L170 E171 K172 | S164-F168 VanDerWaalsContact O-CB 3.27Å; S164-F168 WeakPolarHBondContact O-CB 3.32Å; S164-F168 PolarHBondContact O-N 3.1Å; V165-F168 PolarHBondContact O-N 3.37Å; F168-L170 VanDerWaalsContact C-N 3.32Å; F168-L170 PolarHBondContact O-N 2.9Å; F168-E171 PolarHBondContact O-N 3.37Å; F168-K172 HydrophobicContact CD1-CG 4.03Å; F168-K172 HydrophobicContact CD2-CG 4.49Å; F168-K172 HydrophobicContact CE1-CD 4.25Å; F168-K172 HydrophobicContact CE1-CG 3.62Å; F168-K172 HydrophobicContact CE2-CD 4.12Å; F168-K172 HydrophobicContact CE2-CG 4.13Å; F168-K172 HydrophobicContact CG-CG 4.46Å; F168-K172 HydrophobicContact CZ-CD 3.79Å; F168-K172 HydrophobicContact CZ-CG 3.68Å; F168-K172 WeakPolarHBondContact O-CB 3.48Å; F168-K172 VanDerWaalsContact O-CG 3.3Å; F168-K172 WeakPolarHBondContact O-CG 3.41Å; F168-K172 PolarHBondContact O-N 3.4Å |
| 169 | L | 89 | Confident | 75.4 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 178.1 | -68.6 | 174.7 | 0 | 0 | 0 | 111.1 | V165 E166 K172 D173 | V165-L169 HydrophobicContact CG1-CD1 4.32Å; V165-L169 WeakPolarHBondContact O-CG 3.21Å; V165-L169 PolarHBondContact O-N 2.94Å; E166-L169 PolarHBondContact O-N 3.41Å; L169-K172 PolarHBondContact O-N 3.35Å; L169-D173 WeakPolarHBondContact O-CB 3.3Å; L169-D173 PolarHBondContact O-N 2.97Å |
| 170 | L | 82.5 | Confident | 77.3 | Confident | 128 Ų | 128 | 100 Ų | 100 | 67% | 0.67 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 177.9 | -165.5 | 68.6 | 0 | 0 | 0 | 112.7 | E166 F168 D173 K174 | E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 PolarHBondContact O-N 3.49Å; F168-L170 VanDerWaalsContact C-N 3.32Å; F168-L170 PolarHBondContact O-N 2.9Å; L170-D173 PolarHBondContact O-N 2.91Å; L170-K174 PolarHBondContact O-N 2.98Å |
| 171 | E | 86.9 | Confident | 78.6 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 174.5 | -171.9 | 65.7 | -154.1 | 0 | 0 | 111.4 | G167 F168 K174 D175 | G167-E171 WeakPolarHBondContact O-CB 3.36Å; G167-E171 PolarHBondContact O-N 3.19Å; F168-E171 PolarHBondContact O-N 3.37Å; E171-K174 WeakPolarHBondContact O-CB 3.27Å; E171-K174 PolarHBondContact O-N 3.44Å; E171-K174 WeakPolarHBondContact OE1-CE 3.47Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 PolarHBondContact OE1-NZ 2.97Å; E171-K174 IonicContact OE2-NZ 2.92Å; E171-K174 PolarHBondContact OE2-NZ 2.91Å; E171-D175 PolarHBondContact O-N 3.35Å |
| 172 | K | 85.5 | Confident | 79.1 | Confident | 78 Ų | 78 | 101.1 Ų | 101.1 | 34% | 0.339 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 174 | -71.3 | -55.9 | 87.5 | -167.4 | 0 | 112.1 | F168 L169 K174 D175 I176 | F168-K172 HydrophobicContact CD1-CG 4.03Å; F168-K172 HydrophobicContact CD2-CG 4.49Å; F168-K172 HydrophobicContact CE1-CD 4.25Å; F168-K172 HydrophobicContact CE1-CG 3.62Å; F168-K172 HydrophobicContact CE2-CD 4.12Å; F168-K172 HydrophobicContact CE2-CG 4.13Å; F168-K172 HydrophobicContact CG-CG 4.46Å; F168-K172 HydrophobicContact CZ-CD 3.79Å; F168-K172 HydrophobicContact CZ-CG 3.68Å; F168-K172 WeakPolarHBondContact O-CB 3.48Å; F168-K172 VanDerWaalsContact O-CG 3.3Å; F168-K172 WeakPolarHBondContact O-CG 3.41Å; F168-K172 PolarHBondContact O-N 3.4Å; L169-K172 PolarHBondContact O-N 3.35Å; K172-K174 VanDerWaalsContact C-N 3.3Å; K172-K174 PolarHBondContact O-N 3.43Å; K172-D175 WeakPolarHBondContact CE-OD2 3.34Å; K172-D175 IonicContact NZ-OD2 3.59Å; K172-D175 PolarHBondContact NZ-OD2 2.93Å; K172-D175 WeakPolarHBondContact O-CB 3.42Å; K172-D175 PolarHBondContact O-N 3.14Å; K172-I176 VanDerWaalsContact O-CG1 3.3Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3.15Å |
| 173 | D | 87.7 | Confident | 80 | Confident | 91 Ų | 91 | 100 Ų | 100 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 177.1 | -73.4 | -19.8 | 0 | 0 | 0 | 111.2 | L169 L170 D175 I176 E177 | L169-D173 WeakPolarHBondContact O-CB 3.3Å; L169-D173 PolarHBondContact O-N 2.97Å; L170-D173 PolarHBondContact O-N 2.91Å; D173-D175 PolarHBondContact O-N 2.91Å; D173-I176 PolarHBondContact O-N 3.12Å; D173-E177 PolarHBondContact O-N 2.93Å |
| 174 | K | 91.8 | Very high | 80.1 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 39% | 0.391 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 172.9 | -164.6 | -170.7 | 79.5 | -160.2 | 0 | 112.7 | L170 E171 K172 E177 Q178 | L170-K174 PolarHBondContact O-N 2.98Å; E171-K174 WeakPolarHBondContact O-CB 3.27Å; E171-K174 PolarHBondContact O-N 3.44Å; E171-K174 WeakPolarHBondContact OE1-CE 3.47Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 PolarHBondContact OE1-NZ 2.97Å; E171-K174 IonicContact OE2-NZ 2.92Å; E171-K174 PolarHBondContact OE2-NZ 2.91Å; K172-K174 VanDerWaalsContact C-N 3.3Å; K172-K174 PolarHBondContact O-N 3.43Å; K174-E177 PolarHBondContact O-N 2.89Å; K174-Q178 PolarHBondContact O-N 3.35Å; K174-Q178 VanDerWaalsContact O-N 3.07Å |
| 175 | D | 86.5 | Confident | 79.7 | Confident | 63 Ų | 63 | 95.5 Ų | 95.5 | 34% | 0.337 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.7 | -73.4 | -15.3 | 0 | 0 | 0 | 111.6 | E171 K172 D173 E177 Q178 L179 | E171-D175 PolarHBondContact O-N 3.35Å; K172-D175 WeakPolarHBondContact CE-OD2 3.34Å; K172-D175 IonicContact NZ-OD2 3.59Å; K172-D175 PolarHBondContact NZ-OD2 2.93Å; K172-D175 WeakPolarHBondContact O-CB 3.42Å; K172-D175 PolarHBondContact O-N 3.14Å; D173-D175 PolarHBondContact O-N 2.91Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 3.45Å; D175-Q178 PolarHBondContact O-N 2.66Å; D175-L179 PolarHBondContact O-N 3.46Å |
| 176 | I | 86.6 | Confident | 78.8 | Confident | 97 Ų | 97 | 94.5 Ų | 94.5 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.1 | -67.1 | 165.6 | 0 | 0 | 0 | 110.1 | K172 D173 Q178 L179 V180 | K172-I176 VanDerWaalsContact O-CG1 3.3Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3.15Å; D173-I176 PolarHBondContact O-N 3.12Å; I176-Q178 PolarHBondContact O-N 3.2Å; I176-L179 WeakPolarHBondContact O-CB 3.17Å; I176-L179 PolarHBondContact O-N 2.63Å; I176-V180 WeakPolarHBondContact O-CG2 3.31Å; I176-V180 PolarHBondContact O-N 2.98Å |
| 177 | E | 82 | Confident | 77.9 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.8 | -73.9 | -168.7 | -170.4 | 0 | 0 | 113.2 | D173 K174 D175 L179 V180 K181 | D173-E177 PolarHBondContact O-N 2.93Å; K174-E177 PolarHBondContact O-N 2.89Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 3.45Å; E177-L179 VanDerWaalsContact C-N 3.32Å; E177-V180 PolarHBondContact O-N 3.43Å; E177-K181 WeakPolarHBondContact O-CB 2.98Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 3.24Å; E177-K181 IonicContact OE2-NZ 3.28Å; E177-K181 PolarHBondContact OE2-NZ 3.27Å |
| 178 | Q | 76.8 | Confident | 76.7 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -35.5 | 176.1 | -73.6 | -165 | -1.3 | 0 | 0 | 112.1 | K174 D175 I176 S182 | K174-Q178 PolarHBondContact O-N 3.35Å; K174-Q178 VanDerWaalsContact O-N 3.07Å; D175-Q178 PolarHBondContact O-N 2.66Å; I176-Q178 PolarHBondContact O-N 3.2Å; Q178-S182 WeakPolarHBondContact O-CB 3.3Å; Q178-S182 PolarHBondContact O-N 3.43Å; Q178-S182 PolarHBondContact O-OG 3.12Å |
| 179 | L | 79.9 | Confident | 75.5 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 174.1 | -171.4 | 73.8 | 0 | 0 | 0 | 111.5 | D175 I176 E177 S182 T183 | D175-L179 PolarHBondContact O-N 3.46Å; I176-L179 WeakPolarHBondContact O-CB 3.17Å; I176-L179 PolarHBondContact O-N 2.63Å; E177-L179 VanDerWaalsContact C-N 3.32Å; L179-S182 WeakPolarHBondContact CA-OG 3.4Å; L179-S182 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-OG 3.01Å; L179-S182 VanDerWaalsContact O-OG 3.04Å; L179-T183 VanDerWaalsContact O-CB 3.24Å; L179-T183 WeakPolarHBondContact O-CB 3.48Å; L179-T183 PolarHBondContact O-N 3.28Å; L179-T183 PolarHBondContact O-OG1 3.07Å |
| 180 | V | 78.8 | Confident | 74.4 | Confident | 100 Ų | 100 | 96 Ų | 96 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 111 | I176 E177 S182 T183 G184 | I176-V180 WeakPolarHBondContact O-CG2 3.31Å; I176-V180 PolarHBondContact O-N 2.98Å; E177-V180 PolarHBondContact O-N 3.43Å; V180-S182 PolarHBondContact O-N 2.83Å; V180-T183 PolarHBondContact O-N 3.39Å; V180-G184 PolarHBondContact O-N 2.9Å |
| 181 | K | 77.1 | Confident | 73.7 | Confident | 146 Ų | 146 | 92.9 Ų | 92.9 | 64% | 0.635 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 176.3 | -74.5 | 167.4 | -178.5 | 162.1 | 0 | 112.2 | E177 P185 | E177-K181 WeakPolarHBondContact O-CB 2.98Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 3.24Å; E177-K181 IonicContact OE2-NZ 3.28Å; E177-K181 PolarHBondContact OE2-NZ 3.27Å; K181-P185 WeakPolarHBondContact O-CD 3.5Å |
| 182 | S | 65.1 | Low | 72.9 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.4 | -23.8 | 178.2 | 56 | 0 | 0 | 0 | 0 | 113.9 | Q178 L179 V180 P185 | Q178-S182 WeakPolarHBondContact O-CB 3.3Å; Q178-S182 PolarHBondContact O-N 3.43Å; Q178-S182 PolarHBondContact O-OG 3.12Å; L179-S182 WeakPolarHBondContact CA-OG 3.4Å; L179-S182 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-OG 3.01Å; L179-S182 VanDerWaalsContact O-OG 3.04Å; V180-S182 PolarHBondContact O-N 2.83Å; S182-P185 WeakPolarHBondContact O-CD 3.44Å |
| 183 | T | 70.2 | Confident | 71.8 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -84.4 | -21.4 | 176.9 | -54 | 0 | 0 | 0 | 0 | 112.8 | L179 V180 S186 | L179-T183 VanDerWaalsContact O-CB 3.24Å; L179-T183 WeakPolarHBondContact O-CB 3.48Å; L179-T183 PolarHBondContact O-N 3.28Å; L179-T183 PolarHBondContact O-OG1 3.07Å; V180-T183 PolarHBondContact O-N 3.39Å; T183-S186 PolarHBondContact O-N 3.29Å |
| 184 | G | 63.5 | Low | 70.8 | Confident | 54 Ų | 54 | 95.1 Ų | 95.1 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | V180 | V180-G184 PolarHBondContact O-N 2.9Š|
| 185 | P | 60.2 | Low | 69.4 | Low | 80 Ų | 80 | 94.2 Ų | 94.2 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.4 | -179 | 32 | -33.3 | 0 | 0 | 0 | 115 | K181 S182 R187 S188 | K181-P185 WeakPolarHBondContact O-CD 3.5Å; S182-P185 WeakPolarHBondContact O-CD 3.44Å; P185-R187 VanDerWaalsContact C-N 3.29Å; P185-R187 PolarHBondContact O-N 3Å; P185-S188 PolarHBondContact O-N 2.99Å; P185-S188 PolarHBondContact O-OG 2.99Å |
| 186 | S | 57.3 | Low | 68 | Low | 68 Ų | 68 | 94.6 Ų | 94.6 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.5 | -18.1 | 179.8 | -160.8 | 0 | 0 | 0 | 0 | 112.7 | T183 S189 | T183-S186 PolarHBondContact O-N 3.29Å; S186-S189 PolarHBondContact O-OG 3.04Å; S186-S189 VanDerWaalsContact O-OG 3.13Å |
| 187 | R | 56.7 | Low | 66.7 | Low | 202 Ų | 202 | 95.4 Ų | 95.4 | 76% | 0.762 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -78 | -29 | 174.3 | -66.3 | -177.5 | 71.4 | 152 | 0.4 | 112.9 | P185 S191 | P185-R187 VanDerWaalsContact C-N 3.29Å; P185-R187 PolarHBondContact O-N 3Å; R187-S191 WeakPolarHBondContact O-CB 3.44Å; R187-S191 PolarHBondContact O-N 3Å; R187-S191 VanDerWaalsContact O-N 3.09Å |
| 188 | S | 60.3 | Low | 65.6 | Low | 68 Ų | 68 | 94.5 Ų | 94.5 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74 | -41.2 | 179.3 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | P185 L190 S191 E192 | P185-S188 PolarHBondContact O-N 2.99Å; P185-S188 PolarHBondContact O-OG 2.99Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.32Å; S188-S191 WeakPolarHBondContact CA-OG 3.33Å; S188-S191 PolarHBondContact O-N 3.37Å; S188-S191 VanDerWaalsContact O-N 3.16Å; S188-S191 PolarHBondContact O-OG 3.47Å; S188-E192 PolarHBondContact O-N 2.71Å |
| 189 | S | 60.8 | Low | 64.3 | Low | 57 Ų | 57 | 96.2 Ų | 96.2 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.4 | -40.7 | 176 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | S186 E192 V193 | S186-S189 PolarHBondContact O-OG 3.04Å; S186-S189 VanDerWaalsContact O-OG 3.13Å; S189-E192 PolarHBondContact O-N 2.91Å; S189-V193 VanDerWaalsContact O-CG2 3.27Å; S189-V193 WeakPolarHBondContact O-CG2 3.13Å; S189-V193 PolarHBondContact O-N 3.48Å; S189-V193 VanDerWaalsContact O-N 3.12Å |
| 190 | L | 66.3 | Low | 62.8 | Low | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.1 | -38.2 | 174.3 | -71.9 | 175.4 | 0 | 0 | 0 | 112.4 | S188 E192 V193 V194 | S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.32Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.11Å; L190-V193 PolarHBondContact O-N 3.3Å; L190-V194 WeakPolarHBondContact O-CB 2.98Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.26Å |
| 191 | S | 68.4 | Low | 61.2 | Low | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -34.7 | 177.2 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | R187 S188 S195 | R187-S191 WeakPolarHBondContact O-CB 3.44Å; R187-S191 PolarHBondContact O-N 3Å; R187-S191 VanDerWaalsContact O-N 3.09Å; S188-S191 WeakPolarHBondContact CA-OG 3.33Å; S188-S191 PolarHBondContact O-N 3.37Å; S188-S191 VanDerWaalsContact O-N 3.16Å; S188-S191 PolarHBondContact O-OG 3.47Å; S191-S195 VanDerWaalsContact O-CB 3.25Å; S191-S195 WeakPolarHBondContact O-CB 3.4Å; S191-S195 PolarHBondContact O-N 3.37Å; S191-S195 PolarHBondContact O-OG 2.78Å |
| 192 | E | 68.7 | Low | 59.7 | Low | 146 Ų | 146 | 100.3 Ų | 100.3 | 68% | 0.682 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.5 | -44.3 | 176.6 | -172.3 | 176.9 | -179.3 | 0 | 0 | 110.9 | S188 S189 L190 S195 S196 | S188-E192 PolarHBondContact O-N 2.71Å; S189-E192 PolarHBondContact O-N 2.91Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.11Å; E192-S195 PolarHBondContact O-N 3.21Å; E192-S196 PolarHBondContact O-N 2.91Å |
| 193 | V | 64 | Low | 58.5 | Low | 79 Ų | 79 | 104.5 Ų | 104.5 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.6 | -42.6 | 176 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | S189 L190 S195 S196 L197 | S189-V193 VanDerWaalsContact O-CG2 3.27Å; S189-V193 WeakPolarHBondContact O-CG2 3.13Å; S189-V193 PolarHBondContact O-N 3.48Å; S189-V193 VanDerWaalsContact O-N 3.12Å; L190-V193 PolarHBondContact O-N 3.3Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.19Å; V193-S196 PolarHBondContact O-N 3.47Å; V193-S196 PolarHBondContact O-OG 2.85Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.34Å; V193-L197 WeakPolarHBondContact O-CG 3.31Å; V193-L197 PolarHBondContact O-N 3.47Å; V193-L197 VanDerWaalsContact O-N 3.07Å |
| 194 | V | 65.1 | Low | 56.9 | Low | 81 Ų | 81 | 108.6 Ų | 108.6 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.9 | -38.2 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L190 S196 L197 T198 | L190-V194 WeakPolarHBondContact O-CB 2.98Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.26Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.03Å; V194-L197 PolarHBondContact O-N 3.38Å; V194-T198 HydrophobicContact CG1-CG2 4.24Å; V194-T198 WeakPolarHBondContact O-CG2 3.34Å; V194-T198 PolarHBondContact O-N 2.88Å; V194-T198 PolarHBondContact O-OG1 3.34Å |
| 195 | S | 62.6 | Low | 55.4 | Low | 70 Ų | 70 | 109.1 Ų | 109.1 | 49% | 0.49 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.2 | -32.7 | 177 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | S191 E192 V193 T198 L199 | S191-S195 VanDerWaalsContact O-CB 3.25Å; S191-S195 WeakPolarHBondContact O-CB 3.4Å; S191-S195 PolarHBondContact O-N 3.37Å; S191-S195 PolarHBondContact O-OG 2.78Å; E192-S195 PolarHBondContact O-N 3.21Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.19Å; S195-T198 WeakPolarHBondContact CA-OG1 3.37Å; S195-T198 PolarHBondContact O-OG1 2.73Å; S195-L199 WeakPolarHBondContact O-CB 3.45Å; S195-L199 PolarHBondContact O-N 3.23Å; S195-L199 VanDerWaalsContact O-N 3.13Å |
| 196 | S | 57.2 | Low | 54.7 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.8 | -35 | 173 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | E192 V193 V194 | E192-S196 PolarHBondContact O-N 2.91Å; V193-S196 PolarHBondContact O-N 3.47Å; V193-S196 PolarHBondContact O-OG 2.85Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.03Å |
| 197 | L | 60.2 | Low | 53.8 | Low | 113 Ų | 113 | 115.5 Ų | 115.5 | 59% | 0.592 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.1 | -34.7 | 177.1 | -74.7 | 156.8 | 0 | 0 | 0 | 112.2 | V193 V194 | V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.34Å; V193-L197 WeakPolarHBondContact O-CG 3.31Å; V193-L197 PolarHBondContact O-N 3.47Å; V193-L197 VanDerWaalsContact O-N 3.07Å; V194-L197 PolarHBondContact O-N 3.38Å |
| 198 | T | 58.9 | Low | 52.8 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 56% | 0.564 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.9 | -25.6 | 178.4 | 53 | 0 | 0 | 0 | 0 | 113.3 | V194 S195 Q200 | V194-T198 HydrophobicContact CG1-CG2 4.24Å; V194-T198 WeakPolarHBondContact O-CG2 3.34Å; V194-T198 PolarHBondContact O-N 2.88Å; V194-T198 PolarHBondContact O-OG1 3.34Å; S195-T198 WeakPolarHBondContact CA-OG1 3.37Å; S195-T198 PolarHBondContact O-OG1 2.73Å; T198-Q200 PolarHBondContact O-N 3.5Å |
| 199 | L | 49.3 | Very low | 52 | Low | 153 Ų | 153 | 120 Ų | 120 | 80% | 0.801 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69 | -23.1 | 175 | -165.5 | 73.5 | 0 | 0 | 0 | 112.5 | S195 Q201 | S195-L199 WeakPolarHBondContact O-CB 3.45Å; S195-L199 PolarHBondContact O-N 3.23Å; S195-L199 VanDerWaalsContact O-N 3.13Å; L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.92Å |
| 200 | Q | 48.3 | Very low | 50.7 | Low | 171 Ų | 171 | 125.3 Ų | 125.3 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 3.6 | -176.1 | -135.8 | -174.4 | -26.3 | 0 | 0 | 114.5 | T198 P202 | T198-Q200 PolarHBondContact O-N 3.5Å; Q200-P202 VanDerWaalsContact C-CD 3.45Å; Q200-P202 WeakPolarHBondContact O-CD 3.48Å |
| 201 | Q | 44.7 | Very low | 49.2 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -119.3 | 74.7 | 179.9 | -158.6 | 170.3 | 15.4 | 0 | 0 | 112.4 | L199 | L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.92Å | ||
| 202 | P | 46.2 | Very low | 47.8 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | trans | -85.5 | 139.2 | 161.7 | 33.7 | -26.7 | 0 | 0 | 0 | 109.7 | Q200 | Q200-P202 VanDerWaalsContact C-CD 3.45Å; Q200-P202 WeakPolarHBondContact O-CD 3.48Å | ||
| 203 | L | 39.9 | Very low | 46.7 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | 76.3 | 103.1 | -179.7 | -72.9 | 179.4 | 0 | 0 | 0 | 116.6 | ||||
| 204 | L | 36.3 | Very low | 45.8 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | 172.7 | 114.7 | 88.6 | -166.3 | 158.1 | 0 | 0 | 0 | 109.5 | |||||
| 205 | G | 32.4 | Very low | 44.5 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | trans | 60.5 | 114.1 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | A207 | G205-A207 PolarHBondContact O-N 3.44Š| ||
| 206 | E | 45.3 | Very low | 44.2 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -49.4 | 127.5 | 148.7 | -80.6 | -167.1 | 125 | 0 | 0 | 111.1 | ||||
| 207 | A | 38.8 | Very low | 44.1 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -159.8 | 119.8 | 144.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | G205 | G205-A207 PolarHBondContact O-N 3.44Š| ||
| 208 | E | 34.3 | Very low | 43.7 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | 53.1 | 108.1 | 152 | -91.3 | -170.5 | 107.4 | 0 | 0 | 120.2 | K210 | E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.35Å | ||
| 209 | Y | 44.5 | Very low | 43.3 | Very low | 211 Ų | 211 | 155.4 Ų | 155.4 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -56.1 | 82.3 | 149.7 | 7.5 | -93.7 | 0 | 0 | 0 | 111.1 | ||||
| 210 | K | 33.4 | Very low | 43.2 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | -84.6 | 128.1 | 152.5 | -89.5 | -161.1 | 173.6 | -176.3 | 0 | 108.8 | E208 A212 | E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.35Å; K210-A212 PolarHBondContact O-N 3.42Å | ||
| 211 | P | 35.8 | Very low | 43.6 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -65.1 | 109.4 | 167.3 | 27.6 | -29.4 | 0 | 0 | 0 | 106.7 | Q213 | P211-Q213 PolarHBondContact O-N 3.28Š| ||
| 212 | A | 38 | Very low | 43.9 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | -49.7 | 114.6 | 172 | 0 | 0 | 0 | 0 | 0 | 107.8 | K210 R214 | K210-A212 PolarHBondContact O-N 3.42Å; A212-R214 PolarHBondContact O-N 2.66Å | ||
| 213 | Q | 46 | Very low | 44.6 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -50.2 | 118.2 | 170.5 | -77.5 | -144.7 | -12.9 | 0 | 0 | 107.7 | P211 K215 | P211-Q213 PolarHBondContact O-N 3.28Å; Q213-K215 VanDerWaalsContact C-N 3.28Å; Q213-K215 WeakPolarHBondContact O-CD 3.46Å; Q213-K215 PolarHBondContact O-N 3.05Å | ||
| 214 | R | 44 | Very low | 45.6 | Very low | 240 Ų | 240 | 147.1 Ų | 147.1 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -60.9 | 95.9 | 170.4 | -77.3 | -173.6 | 171.2 | 167.1 | -1.1 | 106.7 | A212 D216 | A212-R214 PolarHBondContact O-N 2.66Å; R214-D216 PolarHBondContact O-N 2.7Å | ||
| 215 | K | 38.3 | Very low | 47.3 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | -64.8 | 114.6 | 161.6 | -74.3 | 98 | -169.1 | 175.5 | 0 | 105.3 | Q213 P217 | Q213-K215 VanDerWaalsContact C-N 3.28Å; Q213-K215 WeakPolarHBondContact O-CD 3.46Å; Q213-K215 PolarHBondContact O-N 3.05Å; K215-P217 WeakPolarHBondContact O-CD 3.2Å | ||
| 216 | D | 55.8 | Low | 49.6 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | -49.7 | 128.1 | 174.4 | -81.8 | -41.7 | 0 | 0 | 0 | 109.1 | R214 Y218 Y219 | R214-D216 PolarHBondContact O-N 2.7Å; D216-Y218 PolarHBondContact O-N 2.92Å; D216-Y219 PolarHBondContact O-N 2.79Å | ||
| 217 | P | 55.4 | Low | 51.3 | Low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 22.4 | 176.5 | -26.1 | 36.1 | 0 | 0 | 0 | 116 | K215 | K215-P217 WeakPolarHBondContact O-CD 3.2Š|
| 218 | Y | 52.4 | Low | 53.5 | Low | 212 Ų | 212 | 153.3 Ų | 153.3 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 17.1 | -178.6 | -90.4 | -82.5 | 0 | 0 | 0 | 113.5 | D216 | D216-Y218 PolarHBondContact O-N 2.92Š|
| 219 | Y | 50.5 | Low | 56.1 | Low | 221 Ų | 221 | 150.7 Ų | 150.7 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | -108.9 | 71 | -178.3 | -162.6 | -97.5 | 0 | 0 | 0 | 112.2 | D216 | D216-Y219 PolarHBondContact O-N 2.79Š| ||
| 220 | G | 47.5 | Very low | 58.3 | Low | 55 Ų | 55 | 142.6 Ų | 142.6 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -164 | 120.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D222 | G220-D222 VanDerWaalsContact C-N 3.25Å; G220-D222 PolarHBondContact O-N 2.96Å |
| 221 | A | 56.8 | Low | 61.1 | Low | 104 Ų | 104 | 137.7 Ų | 137.7 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 65.7 | -38 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 222 | D | 50 | Low | 63.8 | Low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -102 | 117.7 | 178.1 | -55.2 | -36 | 0 | 0 | 0 | 107.8 | G220 G224 | G220-D222 VanDerWaalsContact C-N 3.25Å; G220-D222 PolarHBondContact O-N 2.96Å; D222-G224 PolarHBondContact O-N 2.78Å |
| 223 | W | 61.2 | Low | 66.3 | Low | 228 Ų | 228 | 133.9 Ų | 133.9 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | trans | -60.3 | 47.4 | -174.7 | -66 | -5 | 0 | 0 | 0 | 116 | M225 | W223-M225 HydrophobicContact CB-CE 3.85Å; W223-M225 HydrophobicContact CD2-CE 4.27Å; W223-M225 HydrophobicContact CE3-CE 3.69Å; W223-M225 HydrophobicContact CG-CE 4.38Å; W223-M225 PolarHBondContact O-N 2.78Å | ||
| 224 | G | 61.1 | Low | 68.6 | Low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 59.3 | 12.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D222 R226 | D222-G224 PolarHBondContact O-N 2.78Å; G224-R226 PolarHBondContact O-N 3.18Å |
| 225 | M | 71 | Confident | 71.1 | Confident | 84 Ų | 84 | 126.9 Ų | 126.9 | 41% | 0.414 | 64% | 0.64 | S | S | . | * | trans | -77 | 114.1 | -171.9 | -89.7 | -173.4 | -90.3 | 0 | 0 | 110.4 | W223 W227 M229 I233 | W223-M225 HydrophobicContact CB-CE 3.85Å; W223-M225 HydrophobicContact CD2-CE 4.27Å; W223-M225 HydrophobicContact CE3-CE 3.69Å; W223-M225 HydrophobicContact CG-CE 4.38Å; W223-M225 PolarHBondContact O-N 2.78Å; M225-W227 PolarHBondContact O-N 3.48Å; M225-M229 HydrophobicContact CB-CB 4.3Å; M225-M229 HydrophobicContact CG-CB 4.04Å; M225-M229 HydrophobicContact SD-CB 4.4Å; M225-I233 HydrophobicContact SD-CD1 3.44Å; M225-I233 WeakPolarHBondContact SD-CD1 3.22Å | ||
| 226 | R | 81.9 | Confident | 73.8 | Confident | 158 Ų | 158 | 125.2 Ų | 125.2 | 60% | 0.596 | 63% | 0.633 | S | S | * | * | trans | -52.4 | 138.8 | 163.5 | -63 | 167.8 | 66.4 | 170.6 | 1.1 | 107.7 | G224 W228 M229 A230 | G224-R226 PolarHBondContact O-N 3.18Å; R226-W228 PolarHBondContact O-N 3.44Å; R226-M229 HydrophobicContact CB-CG 4.38Å; R226-M229 WeakPolarHBondContact O-CA 3.44Å; R226-M229 VanDerWaalsContact O-CB 3.31Å; R226-M229 WeakPolarHBondContact O-CB 3.48Å; R226-M229 PolarHBondContact O-N 3.37Å; R226-A230 PolarHBondContact O-N 2.88Å | ||
| 227 | W | 79.9 | Confident | 75.7 | Confident | 205 Ų | 205 | 122.9 Ų | 122.9 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -51.9 | -32 | 179.4 | -176.1 | 61.4 | 0 | 0 | 0 | 113.2 | M225 M229 A230 V231 | M225-W227 PolarHBondContact O-N 3.48Å; W227-M229 VanDerWaalsContact C-N 3.35Å; W227-M229 PolarHBondContact O-N 2.92Å; W227-A230 WeakPolarHBondContact O-CB 3.44Å; W227-A230 PolarHBondContact O-N 3.25Å; W227-V231 HydrophobicContact CD2-CG2 4.44Å; W227-V231 WeakPolarHBondContact O-CG2 3.31Å; W227-V231 PolarHBondContact O-N 2.9Å |
| 228 | W | 85.9 | Confident | 77.6 | Confident | 192 Ų | 192 | 119.3 Ų | 119.3 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.5 | -31.6 | 171.5 | -89 | 86.3 | 0 | 0 | 0 | 115 | R226 V231 A232 | R226-W228 PolarHBondContact O-N 3.44Å; W228-V231 PolarHBondContact O-N 2.99Å; W228-A232 WeakPolarHBondContact O-CB 3.34Å; W228-A232 PolarHBondContact O-N 3.03Å |
| 229 | M | 89.6 | Confident | 79.6 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.5 | -40.4 | 172.6 | -70.8 | -58 | -61.2 | 0 | 0 | 111.3 | M225 R226 W227 V231 A232 I233 | M225-M229 HydrophobicContact CB-CB 4.3Å; M225-M229 HydrophobicContact CG-CB 4.04Å; M225-M229 HydrophobicContact SD-CB 4.4Å; R226-M229 HydrophobicContact CB-CG 4.38Å; R226-M229 WeakPolarHBondContact O-CA 3.44Å; R226-M229 VanDerWaalsContact O-CB 3.31Å; R226-M229 WeakPolarHBondContact O-CB 3.48Å; R226-M229 PolarHBondContact O-N 3.37Å; W227-M229 VanDerWaalsContact C-N 3.35Å; W227-M229 PolarHBondContact O-N 2.92Å; M229-V231 VanDerWaalsContact C-N 3.31Å; M229-V231 PolarHBondContact O-N 2.88Å; M229-A232 PolarHBondContact O-N 3.23Å; M229-I233 WeakPolarHBondContact O-CB 3.3Å; M229-I233 WeakPolarHBondContact O-CD1 3.41Å; M229-I233 WeakPolarHBondContact O-CG1 3.39Å; M229-I233 PolarHBondContact O-N 3.45Å |
| 230 | A | 89.1 | Confident | 81.7 | Confident | 41 Ų | 41 | 106.5 Ų | 106.5 | 34% | 0.339 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62 | -42.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R226 W227 I233 M234 | R226-A230 PolarHBondContact O-N 2.88Å; W227-A230 WeakPolarHBondContact O-CB 3.44Å; W227-A230 PolarHBondContact O-N 3.25Å; A230-I233 PolarHBondContact O-N 3.43Å; A230-M234 WeakPolarHBondContact O-CB 3.3Å; A230-M234 VanDerWaalsContact O-CG 3.3Å; A230-M234 WeakPolarHBondContact O-CG 3.46Å; A230-M234 PolarHBondContact O-N 2.74Å |
| 231 | V | 92.2 | Very high | 83.9 | Confident | 65 Ų | 65 | 107.9 Ų | 107.9 | 39% | 0.394 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -43.2 | 174 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | W227 W228 M229 M234 L235 | W227-V231 HydrophobicContact CD2-CG2 4.44Å; W227-V231 WeakPolarHBondContact O-CG2 3.31Å; W227-V231 PolarHBondContact O-N 2.9Å; W228-V231 PolarHBondContact O-N 2.99Å; M229-V231 VanDerWaalsContact C-N 3.31Å; M229-V231 PolarHBondContact O-N 2.88Å; V231-M234 PolarHBondContact O-N 3.22Å; V231-L235 WeakPolarHBondContact O-CB 3.4Å; V231-L235 PolarHBondContact O-N 3.42Å |
| 232 | A | 92.2 | Very high | 85.7 | Confident | 50 Ų | 50 | 105.8 Ų | 105.8 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W228 M229 L235 F236 | W228-A232 WeakPolarHBondContact O-CB 3.34Å; W228-A232 PolarHBondContact O-N 3.03Å; M229-A232 PolarHBondContact O-N 3.23Å; A232-L235 PolarHBondContact O-N 3.37Å; A232-F236 WeakPolarHBondContact O-CB 3.34Å; A232-F236 PolarHBondContact O-N 2.87Å |
| 233 | I | 92.5 | Very high | 87.8 | Confident | 78 Ų | 78 | 103.2 Ų | 103.2 | 40% | 0.4 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 176.6 | -67.7 | 162.9 | 0 | 0 | 0 | 110.4 | M225 M229 A230 L235 F236 V237 | M225-I233 HydrophobicContact SD-CD1 3.44Å; M225-I233 WeakPolarHBondContact SD-CD1 3.22Å; M229-I233 WeakPolarHBondContact O-CB 3.3Å; M229-I233 WeakPolarHBondContact O-CD1 3.41Å; M229-I233 WeakPolarHBondContact O-CG1 3.39Å; M229-I233 PolarHBondContact O-N 3.45Å; A230-I233 PolarHBondContact O-N 3.43Å; I233-L235 VanDerWaalsContact C-N 3.31Å; I233-L235 PolarHBondContact O-N 2.96Å; I233-F236 PolarHBondContact O-N 3.41Å; I233-V237 HydrophobicContact CG2-CG2 4.35Å; I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.35Å |
| 234 | M | 93.4 | Very high | 89.3 | Confident | 141 Ų | 141 | 99 Ų | 99 | 70% | 0.695 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -40.3 | 175.5 | -75.7 | -66.2 | -67.9 | 0 | 0 | 112.1 | A230 V231 G238 | A230-M234 WeakPolarHBondContact O-CB 3.3Å; A230-M234 VanDerWaalsContact O-CG 3.3Å; A230-M234 WeakPolarHBondContact O-CG 3.46Å; A230-M234 PolarHBondContact O-N 2.74Å; V231-M234 PolarHBondContact O-N 3.22Å; M234-G238 PolarHBondContact O-N 2.91Å |
| 235 | L | 95.5 | Very high | 90.8 | Very high | 112 Ų | 112 | 101.8 Ų | 101.8 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -43.9 | 175.2 | -176.2 | 67.1 | 0 | 0 | 0 | 111.5 | V231 A232 I233 G238 I239 | V231-L235 WeakPolarHBondContact O-CB 3.4Å; V231-L235 PolarHBondContact O-N 3.42Å; A232-L235 PolarHBondContact O-N 3.37Å; I233-L235 VanDerWaalsContact C-N 3.31Å; I233-L235 PolarHBondContact O-N 2.96Å; L235-G238 PolarHBondContact O-N 2.78Å; L235-I239 HydrophobicContact CD1-CD1 3.84Å; L235-I239 HydrophobicContact CD1-CG1 4.36Å; L235-I239 HydrophobicContact CG-CD1 3.87Å; L235-I239 VanDerWaalsContact O-CG1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 2.65Å |
| 236 | F | 96.1 | Very high | 91.8 | Very high | 136 Ų | 136 | 103.1 Ų | 103.1 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -49.4 | 178.5 | -173.8 | -102.5 | 0 | 0 | 0 | 111.4 | A232 I233 G238 I239 I240 | A232-F236 WeakPolarHBondContact O-CB 3.34Å; A232-F236 PolarHBondContact O-N 2.87Å; I233-F236 PolarHBondContact O-N 3.41Å; F236-G238 VanDerWaalsContact C-N 3.32Å; F236-G238 PolarHBondContact O-N 2.88Å; F236-I239 PolarHBondContact O-N 2.97Å; F236-I240 HydrophobicContact CD1-CD1 3.52Å; F236-I240 HydrophobicContact CD2-CD1 3.44Å; F236-I240 VanDerWaalsContact CD2-CD1 3.44Å; F236-I240 HydrophobicContact CD2-CG1 4.46Å; F236-I240 HydrophobicContact CE1-CD1 3.17Å; F236-I240 HydrophobicContact CE2-CD1 3.1Å; F236-I240 HydrophobicContact CE2-CG1 4.39Å; F236-I240 HydrophobicContact CG-CD1 3.65Å; F236-I240 HydrophobicContact CZ-CD1 2.95Å; F236-I240 HydrophobicContact CZ-CG1 4.43Å; F236-I240 VanDerWaalsContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CG1 3.22Å; F236-I240 PolarHBondContact O-N 2.83Å |
| 237 | V | 95.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | I233 I239 T241 | I233-V237 HydrophobicContact CG2-CG2 4.35Å; I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.35Å; V237-I239 VanDerWaalsContact C-N 3.3Å; V237-I239 PolarHBondContact O-N 3.35Å; V237-T241 WeakPolarHBondContact O-CB 2.98Å; V237-T241 PolarHBondContact O-N 2.94Å; V237-T241 PolarHBondContact O-OG1 3.31Å |
| 238 | G | 95 | Very high | 92.6 | Very high | 49 Ų | 49 | 95.9 Ų | 95.9 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -25.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M234 L235 F236 P242 | M234-G238 PolarHBondContact O-N 2.91Å; L235-G238 PolarHBondContact O-N 2.78Å; F236-G238 VanDerWaalsContact C-N 3.32Å; F236-G238 PolarHBondContact O-N 2.88Å; G238-P242 WeakPolarHBondContact O-CD 3.24Å; G238-P242 WeakPolarHBondContact O-CG 3.17Å |
| 239 | I | 94.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 92 Ų | 92 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -93.6 | -41 | 176.1 | -65.6 | 170.3 | 0 | 0 | 0 | 111.1 | L235 F236 V237 P242 V243 | L235-I239 HydrophobicContact CD1-CD1 3.84Å; L235-I239 HydrophobicContact CD1-CG1 4.36Å; L235-I239 HydrophobicContact CG-CD1 3.87Å; L235-I239 VanDerWaalsContact O-CG1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 2.65Å; F236-I239 PolarHBondContact O-N 2.97Å; V237-I239 VanDerWaalsContact C-N 3.3Å; V237-I239 PolarHBondContact O-N 3.35Å; I239-P242 VanDerWaalsContact O-CD 3.27Å; I239-P242 WeakPolarHBondContact O-CD 3.46Å; I239-P242 VanDerWaalsContact O-CG 3.27Å; I239-P242 WeakPolarHBondContact O-CG 3.32Å; I239-V243 HydrophobicContact CG2-CG2 4.4Å; I239-V243 WeakPolarHBondContact O-CB 3.16Å; I239-V243 WeakPolarHBondContact O-CG2 3.29Å; I239-V243 PolarHBondContact O-N 3.5Å |
| 240 | I | 95.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 92.1 Ų | 92.1 | 36% | 0.359 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.3 | -38.1 | -175.6 | -74.3 | 173 | 0 | 0 | 0 | 111.9 | F236 V243 F244 | F236-I240 HydrophobicContact CD1-CD1 3.52Å; F236-I240 HydrophobicContact CD2-CD1 3.44Å; F236-I240 VanDerWaalsContact CD2-CD1 3.44Å; F236-I240 HydrophobicContact CD2-CG1 4.46Å; F236-I240 HydrophobicContact CE1-CD1 3.17Å; F236-I240 HydrophobicContact CE2-CD1 3.1Å; F236-I240 HydrophobicContact CE2-CG1 4.39Å; F236-I240 HydrophobicContact CG-CD1 3.65Å; F236-I240 HydrophobicContact CZ-CD1 2.95Å; F236-I240 HydrophobicContact CZ-CG1 4.43Å; F236-I240 VanDerWaalsContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CG1 3.22Å; F236-I240 PolarHBondContact O-N 2.83Å; I240-V243 PolarHBondContact O-N 3.37Å; I240-F244 WeakPolarHBondContact O-CB 3.46Å; I240-F244 PolarHBondContact O-N 3.28Å |
| 241 | T | 93.3 | Very high | 92 | Very high | 84 Ų | 84 | 94 Ų | 94 | 52% | 0.515 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58 | -50.3 | 177.6 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | V237 Y245 | V237-T241 WeakPolarHBondContact O-CB 2.98Å; V237-T241 PolarHBondContact O-N 2.94Å; V237-T241 PolarHBondContact O-OG1 3.31Å; T241-Y245 VanDerWaalsContact O-CB 3.22Å; T241-Y245 WeakPolarHBondContact O-CB 3.27Å; T241-Y245 PolarHBondContact O-N 3.45Å |
| 242 | P | 93.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 94.6 Ų | 94.6 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 177.2 | 26.2 | -34.2 | 0 | 0 | 0 | 113.1 | G238 I239 Y245 L246 | G238-P242 WeakPolarHBondContact O-CD 3.24Å; G238-P242 WeakPolarHBondContact O-CG 3.17Å; I239-P242 VanDerWaalsContact O-CD 3.27Å; I239-P242 WeakPolarHBondContact O-CD 3.46Å; I239-P242 VanDerWaalsContact O-CG 3.27Å; I239-P242 WeakPolarHBondContact O-CG 3.32Å; P242-Y245 PolarHBondContact O-N 3.22Å; P242-L246 WeakPolarHBondContact O-CB 3.16Å; P242-L246 VanDerWaalsContact O-CG 3.26Å; P242-L246 WeakPolarHBondContact O-CG 3.04Å; P242-L246 PolarHBondContact O-N 2.74Å |
| 243 | V | 94 | Very high | 89.6 | Confident | 78 Ų | 78 | 96.2 Ų | 96.2 | 47% | 0.473 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 176 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | I239 I240 Y245 L246 L247 | I239-V243 HydrophobicContact CG2-CG2 4.4Å; I239-V243 WeakPolarHBondContact O-CB 3.16Å; I239-V243 WeakPolarHBondContact O-CG2 3.29Å; I239-V243 PolarHBondContact O-N 3.5Å; I240-V243 PolarHBondContact O-N 3.37Å; V243-Y245 VanDerWaalsContact C-N 3.34Å; V243-L246 PolarHBondContact O-N 2.88Å; V243-L247 HydrophobicContact CG1-CD1 4.01Å; V243-L247 HydrophobicContact CG1-CG 4.42Å; V243-L247 WeakPolarHBondContact O-CB 3.3Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.44Å |
| 244 | F | 93.8 | Very high | 88.2 | Confident | 140 Ų | 140 | 99.1 Ų | 99.1 | 61% | 0.614 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -38.3 | 176.9 | -173.2 | -96.4 | 0 | 0 | 0 | 111.6 | I240 L247 Y248 | I240-F244 WeakPolarHBondContact O-CB 3.46Å; I240-F244 PolarHBondContact O-N 3.28Å; F244-L247 PolarHBondContact O-N 2.86Å; F244-Y248 WeakPolarHBondContact O-CB 3.28Å; F244-Y248 PolarHBondContact O-N 3.3Å |
| 245 | Y | 93.1 | Very high | 86.6 | Confident | 128 Ų | 128 | 95.9 Ų | 95.9 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 172.7 | -177.1 | -89.2 | 0 | 0 | 0 | 111 | T241 P242 V243 L247 Y248 Y249 | T241-Y245 VanDerWaalsContact O-CB 3.22Å; T241-Y245 WeakPolarHBondContact O-CB 3.27Å; T241-Y245 PolarHBondContact O-N 3.45Å; P242-Y245 PolarHBondContact O-N 3.22Å; V243-Y245 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.46Å; Y245-Y248 WeakPolarHBondContact O-CB 3.26Å; Y245-Y248 PolarHBondContact O-N 2.89Å; Y245-Y249 AromaticContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CE2 4.06Å; Y245-Y249 HydrophobicContact CD2-CD2 4.09Å; Y245-Y249 AromaticContact CD2-CE2 3.71Å; Y245-Y249 HydrophobicContact CD2-CE2 3.71Å; Y245-Y249 AromaticContact CE1-CD2 3.55Å; Y245-Y249 HydrophobicContact CE1-CD2 3.55Å; Y245-Y249 AromaticContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CG 4.39Å; Y245-Y249 AromaticContact CE2-CD2 3.9Å; Y245-Y249 HydrophobicContact CE2-CD2 3.9Å; Y245-Y249 AromaticContact CE2-CE2 3.17Å; Y245-Y249 HydrophobicContact CE2-CE2 3.17Å; Y245-Y249 AromaticContact CE2-CZ 3.96Å; Y245-Y249 HydrophobicContact CG-CD2 4.05Å; Y245-Y249 HydrophobicContact CG-CE2 4.14Å; Y245-Y249 AromaticContact CZ-CD2 3.61Å; Y245-Y249 AromaticContact CZ-CE2 3.04Å; Y245-Y249 AromaticContact CZ-CZ 3.61Å; Y245-Y249 VanDerWaalsContact O-CD2 3.28Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.44Å; Y245-Y249 PolarHBondContact O-N 3.41Å; Y245-Y249 VanDerWaalsContact OH-CE2 3.3Å; Y245-Y249 WeakPolarHBondContact OH-CE2 3.21Å; Y245-Y249 VanDerWaalsContact OH-CZ 3.31Å; Y245-Y249 PolarHBondContact OH-OH 3.21Å |
| 246 | L | 90.6 | Very high | 84.7 | Confident | 112 Ų | 112 | 98.3 Ų | 98.3 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 177.3 | -70.4 | 175.3 | 0 | 0 | 0 | 112.2 | P242 V243 Y249 E250 | P242-L246 WeakPolarHBondContact O-CB 3.16Å; P242-L246 VanDerWaalsContact O-CG 3.26Å; P242-L246 WeakPolarHBondContact O-CG 3.04Å; P242-L246 PolarHBondContact O-N 2.74Å; V243-L246 PolarHBondContact O-N 2.88Å; L246-Y249 PolarHBondContact O-N 3.2Å; L246-E250 WeakPolarHBondContact O-CB 3.27Å; L246-E250 PolarHBondContact O-N 3.32Å |
| 247 | L | 89 | Confident | 82.6 | Confident | 91 Ų | 91 | 97.9 Ų | 97.9 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 174 | -69.8 | 175.7 | 0 | 0 | 0 | 112 | V243 F244 Y245 E250 V251 | V243-L247 HydrophobicContact CG1-CD1 4.01Å; V243-L247 HydrophobicContact CG1-CG 4.42Å; V243-L247 WeakPolarHBondContact O-CB 3.3Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.44Å; F244-L247 PolarHBondContact O-N 2.86Å; Y245-L247 PolarHBondContact O-N 3.46Å; L247-E250 PolarHBondContact O-N 3.09Å; L247-V251 WeakPolarHBondContact O-CA 3.19Å; L247-V251 WeakPolarHBondContact O-CB 3.09Å; L247-V251 WeakPolarHBondContact O-CG2 3.23Å; L247-V251 PolarHBondContact O-N 2.9Å |
| 248 | Y | 90.4 | Very high | 80.4 | Confident | 119 Ų | 119 | 99 Ų | 99 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -51.5 | 174.8 | 174 | -84.7 | 0 | 0 | 0 | 110.1 | F244 Y245 E250 L252 | F244-Y248 WeakPolarHBondContact O-CB 3.28Å; F244-Y248 PolarHBondContact O-N 3.3Å; Y245-Y248 WeakPolarHBondContact O-CB 3.26Å; Y245-Y248 PolarHBondContact O-N 2.89Å; Y248-E250 PolarHBondContact O-N 3.46Å; Y248-L252 HydrophobicContact CD1-CD1 4.47Å; Y248-L252 HydrophobicContact CD2-CD1 3.12Å; Y248-L252 HydrophobicContact CE1-CD1 4.48Å; Y248-L252 HydrophobicContact CE2-CD1 3.13Å; Y248-L252 HydrophobicContact CG-CD1 3.82Å; Y248-L252 VanDerWaalsContact O-CB 3.24Å; Y248-L252 WeakPolarHBondContact O-CB 3.44Å; Y248-L252 PolarHBondContact O-N 2.86Å |
| 249 | Y | 89.3 | Confident | 78.2 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 178.2 | -85.8 | -92 | 0 | 0 | 0 | 111.8 | Y245 L246 V253 | Y245-Y249 AromaticContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CE2 4.06Å; Y245-Y249 HydrophobicContact CD2-CD2 4.09Å; Y245-Y249 AromaticContact CD2-CE2 3.71Å; Y245-Y249 HydrophobicContact CD2-CE2 3.71Å; Y245-Y249 AromaticContact CE1-CD2 3.55Å; Y245-Y249 HydrophobicContact CE1-CD2 3.55Å; Y245-Y249 AromaticContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CG 4.39Å; Y245-Y249 AromaticContact CE2-CD2 3.9Å; Y245-Y249 HydrophobicContact CE2-CD2 3.9Å; Y245-Y249 AromaticContact CE2-CE2 3.17Å; Y245-Y249 HydrophobicContact CE2-CE2 3.17Å; Y245-Y249 AromaticContact CE2-CZ 3.96Å; Y245-Y249 HydrophobicContact CG-CD2 4.05Å; Y245-Y249 HydrophobicContact CG-CE2 4.14Å; Y245-Y249 AromaticContact CZ-CD2 3.61Å; Y245-Y249 AromaticContact CZ-CE2 3.04Å; Y245-Y249 AromaticContact CZ-CZ 3.61Å; Y245-Y249 VanDerWaalsContact O-CD2 3.28Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.44Å; Y245-Y249 PolarHBondContact O-N 3.41Å; Y245-Y249 VanDerWaalsContact OH-CE2 3.3Å; Y245-Y249 WeakPolarHBondContact OH-CE2 3.21Å; Y245-Y249 VanDerWaalsContact OH-CZ 3.31Å; Y245-Y249 PolarHBondContact OH-OH 3.21Å; L246-Y249 PolarHBondContact O-N 3.2Å; Y249-V253 HydrophobicContact CD1-CG2 4.17Å; Y249-V253 WeakPolarHBondContact O-CB 3.27Å; Y249-V253 WeakPolarHBondContact O-CG2 3.13Å; Y249-V253 PolarHBondContact O-N 3.2Å |
| 250 | E | 83.6 | Confident | 76 | Confident | 100 Ų | 100 | 109.2 Ų | 109.2 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.2 | -42.5 | -178 | -172.6 | 165.9 | -158.1 | 0 | 0 | 112.2 | L246 L247 Y248 K254 | L246-E250 WeakPolarHBondContact O-CB 3.27Å; L246-E250 PolarHBondContact O-N 3.32Å; L247-E250 PolarHBondContact O-N 3.09Å; Y248-E250 PolarHBondContact O-N 3.46Å; E250-K254 HydrophobicContact CG-CD 3.91Å; E250-K254 WeakPolarHBondContact O-CB 3.35Å; E250-K254 VanDerWaalsContact O-CD 3.27Å; E250-K254 WeakPolarHBondContact O-CD 3.41Å; E250-K254 WeakPolarHBondContact O-CG 3.21Å; E250-K254 PolarHBondContact O-N 3.44Å; E250-K254 IonicContact OE1-NZ 2.99Å; E250-K254 PolarHBondContact OE1-NZ 2.96Å |
| 251 | V | 79.6 | Confident | 73.3 | Confident | 81 Ų | 81 | 109.8 Ų | 109.8 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.8 | -51.6 | -178 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | L247 T255 | L247-V251 WeakPolarHBondContact O-CA 3.19Å; L247-V251 WeakPolarHBondContact O-CB 3.09Å; L247-V251 WeakPolarHBondContact O-CG2 3.23Å; L247-V251 PolarHBondContact O-N 2.9Å; V251-T255 HydrophobicContact CG1-CG2 4.47Å; V251-T255 WeakPolarHBondContact O-CB 3.09Å; V251-T255 WeakPolarHBondContact O-CG2 3.12Å; V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.48Å |
| 252 | L | 67.6 | Low | 70.8 | Confident | 76 Ų | 76 | 110.4 Ų | 110.4 | 40% | 0.398 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.9 | -36.6 | -174.3 | -73.3 | 150.8 | 0 | 0 | 0 | 113.2 | Y248 T255 E256 | Y248-L252 HydrophobicContact CD1-CD1 4.47Å; Y248-L252 HydrophobicContact CD2-CD1 3.12Å; Y248-L252 HydrophobicContact CE1-CD1 4.48Å; Y248-L252 HydrophobicContact CE2-CD1 3.13Å; Y248-L252 HydrophobicContact CG-CD1 3.82Å; Y248-L252 VanDerWaalsContact O-CB 3.24Å; Y248-L252 WeakPolarHBondContact O-CB 3.44Å; Y248-L252 PolarHBondContact O-N 2.86Å; L252-T255 WeakPolarHBondContact CA-OG1 3.16Å; L252-T255 PolarHBondContact O-N 3.27Å; L252-T255 PolarHBondContact O-OG1 2.79Å; L252-T255 VanDerWaalsContact O-OG1 3.09Å; L252-E256 VanDerWaalsContact O-CG 3.23Å; L252-E256 WeakPolarHBondContact O-CG 3.04Å; L252-E256 PolarHBondContact O-N 2.72Å |
| 253 | V | 66.4 | Low | 68.7 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 52% | 0.515 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73 | -33.2 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | Y249 | Y249-V253 HydrophobicContact CD1-CG2 4.17Å; Y249-V253 WeakPolarHBondContact O-CB 3.27Å; Y249-V253 WeakPolarHBondContact O-CG2 3.13Å; Y249-V253 PolarHBondContact O-N 3.2Å |
| 254 | K | 62.9 | Low | 66.2 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75.5 | -26.1 | 174.2 | -71.1 | 174.9 | 172.5 | 164.4 | 0 | 112.9 | E250 | E250-K254 HydrophobicContact CG-CD 3.91Å; E250-K254 WeakPolarHBondContact O-CB 3.35Å; E250-K254 VanDerWaalsContact O-CD 3.27Å; E250-K254 WeakPolarHBondContact O-CD 3.41Å; E250-K254 WeakPolarHBondContact O-CG 3.21Å; E250-K254 PolarHBondContact O-N 3.44Å; E250-K254 IonicContact OE1-NZ 2.99Å; E250-K254 PolarHBondContact OE1-NZ 2.96Å |
| 255 | T | 59.8 | Low | 63.5 | Low | 72 Ų | 72 | 115 Ų | 115 | 44% | 0.442 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -79.8 | -26.3 | 176.9 | 51 | 0 | 0 | 0 | 0 | 113.8 | V251 L252 V257 | V251-T255 HydrophobicContact CG1-CG2 4.47Å; V251-T255 WeakPolarHBondContact O-CB 3.09Å; V251-T255 WeakPolarHBondContact O-CG2 3.12Å; V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.48Å; L252-T255 WeakPolarHBondContact CA-OG1 3.16Å; L252-T255 PolarHBondContact O-N 3.27Å; L252-T255 PolarHBondContact O-OG1 2.79Å; L252-T255 VanDerWaalsContact O-OG1 3.09Å; T255-V257 PolarHBondContact O-N 2.76Å |
| 256 | E | 54.3 | Low | 60.7 | Low | 164 Ų | 164 | 114 Ų | 114 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -5.4 | 179.4 | -70.6 | -94.8 | 140.6 | 0 | 0 | 113.9 | L252 | L252-E256 VanDerWaalsContact O-CG 3.23Å; L252-E256 WeakPolarHBondContact O-CG 3.04Å; L252-E256 PolarHBondContact O-N 2.72Å |
| 257 | V | 53 | Low | 58.2 | Low | 126 Ų | 126 | 117 Ų | 117 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -7.5 | 177.4 | 176.7 | 0 | 0 | 0 | 0 | 113.5 | T255 | T255-V257 PolarHBondContact O-N 2.76Š|
| 258 | S | 50.3 | Low | 55.5 | Low | 99 Ų | 99 | 116.1 Ų | 116.1 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -101.8 | -1.7 | -174 | -108.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 259 | H | 48.5 | Very low | 52.8 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 75% | 0.745 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -119.5 | 6.6 | -173.8 | -72.1 | -57.8 | 0 | 0 | 0 | 117.9 | ||
| 260 | H | 48.2 | Very low | 50.1 | Low | 196 Ų | 196 | 117.1 Ų | 117.1 | 91% | 0.907 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -128.9 | 85.4 | 168.4 | -76 | -67.2 | 0 | 0 | 0 | 111.8 | ||
| 261 | G | 37.5 | Very low | 47.7 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | trans | -179.6 | 46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 262 | A | 42.8 | Very low | 45.6 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -106.3 | 127.5 | 155 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 263 | P | 48.6 | Very low | 44.2 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | -141.8 | 145 | 86.7 | 35.9 | -20.1 | 0 | 0 | 0 | 114.6 | |||||
| 264 | G | 41.3 | Very low | 42.7 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | 85.8 | 111.6 | 126.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 265 | Q | 37 | Very low | 41.7 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 104.9 | 111.5 | 134.5 | -58.6 | -166.1 | 36.5 | 0 | 0 | 119 | ||||
| 266 | T | 34.1 | Very low | 40.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | 76.4 | 110.6 | 128.1 | 60.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 267 | I | 38.8 | Very low | 39.8 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | 53.7 | 120.6 | 122.2 | -57.1 | 168.9 | 0 | 0 | 0 | 117.5 | |||||
| 268 | G | 32.6 | Very low | 39.1 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 160.8 | 112.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 269 | D | 33.1 | Very low | 38.3 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | trans | -53.9 | 161.1 | 171.7 | -68.7 | -58.7 | 0 | 0 | 0 | 115.2 | ||||
| 270 | G | 32.1 | Very low | 37.9 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 124.7 | 127.9 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 271 | Q | 34 | Very low | 37.3 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -37.9 | 150.1 | 163.8 | -77.1 | 153.5 | -90.7 | 0 | 0 | 115 | ||||
| 272 | Q | 33.8 | Very low | 37.2 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | 165.5 | 137 | 94.7 | -161.1 | 159.8 | 31.1 | 0 | 0 | 113.1 | |||||
| 273 | E | 40 | Very low | 36.9 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -36.6 | 134.6 | 158.2 | -179.4 | -167.7 | 136.4 | 0 | 0 | 115 | ||||
| 274 | L | 33.4 | Very low | 36.1 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -156.2 | 109.1 | 148.3 | -165.7 | 66.3 | 0 | 0 | 0 | 112.2 | ||||
| 275 | V | 42.3 | Very low | 36 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | -65.1 | 129.4 | 159.1 | 172 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 276 | T | 34.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -158.1 | 122.5 | 144.4 | -1.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 277 | S | 41.1 | Very low | 35.7 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -74.1 | 152.3 | 170.2 | 39 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 278 | K | 37.2 | Very low | 35.7 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | 177.7 | 110.7 | 142.4 | -98.6 | 161.3 | -179.7 | -178 | 0 | 107.6 | ||||
| 279 | T | 33.4 | Very low | 36.5 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 91 | 114.2 | 65.2 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 280 | L | 40.9 | Very low | 36.6 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | 61.6 | 139 | 151 | -75.8 | 162.5 | 0 | 0 | 0 | 117.7 | V282 | L280-V282 HydrophobicContact CD2-CB 4.31Å; L280-V282 HydrophobicContact CD2-CG2 3.56Å | ||
| 281 | D | 34.6 | Very low | 36.8 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -141.4 | 135.7 | 41.5 | -65.7 | -60.2 | 0 | 0 | 0 | 110.3 | ||||
| 282 | V | 36.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | 48.5 | 105.8 | 69.5 | -177.6 | 0 | 0 | 0 | 0 | 114.1 | L280 | L280-V282 HydrophobicContact CD2-CB 4.31Å; L280-V282 HydrophobicContact CD2-CG2 3.56Å | |||
| 283 | L | 35.3 | Very low | 36.8 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 170.6 | 129.3 | 105.4 | -166.8 | 61.6 | 0 | 0 | 0 | 113.1 | |||||
| 284 | S | 33.2 | Very low | 36.8 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 45.9 | 124.4 | 152.1 | -60.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 285 | K | 39.4 | Very low | 36.8 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | cis | 64.5 | 140.2 | 48.4 | -150.9 | 172.1 | 178.5 | 174.7 | 0 | 113.9 | ||||
| 286 | D | 33.5 | Very low | 36.4 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 96.3 | 131 | -178.8 | -48.2 | -27.5 | 0 | 0 | 0 | 111.9 | ||||
| 287 | G | 31.6 | Very low | 36.4 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | 171.1 | 137.7 | 4.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 288 | D | 38.8 | Very low | 36.2 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -72 | 153.4 | 168.9 | 44.9 | -56.5 | 0 | 0 | 0 | 110.2 | ||||
| 289 | P | 49.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | -157.3 | 172.8 | 72.1 | 40.7 | -18.5 | 0 | 0 | 0 | 118.8 | |||||
| 290 | A | 35.2 | Very low | 36.5 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | 90.7 | 148.2 | 140.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 291 | E | 34.7 | Very low | 36.9 | Very low | 195 Ų | 195 | 137 Ų | 137 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | 82.3 | 109.6 | 173.2 | -53.3 | -166.6 | 164.3 | 0 | 0 | 115.8 | ||||
| 292 | G | 33.2 | Very low | 36.9 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | cis | 102.4 | 82 | 13.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 293 | H | 36.1 | Very low | 36.6 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -155.2 | 127.1 | 154.2 | -102.8 | -87.7 | 0 | 0 | 0 | 111 | ||||
| 294 | K | 38.3 | Very low | 36.4 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -83.7 | 142.9 | 172.8 | -59.4 | 176.3 | 176.3 | -175.8 | 0 | 109.1 | ||||
| 295 | Q | 34.3 | Very low | 36.5 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | -168.3 | 135.7 | 126.7 | -138.8 | 123.1 | 17.5 | 0 | 0 | 112.2 | |||||
| 296 | A | 34.8 | Very low | 36.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -83.1 | 150.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 297 | A | 32.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 175 | 116.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 298 | Q | 37.2 | Very low | 37.2 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -4.8 | 136.8 | 134.7 | -167.4 | 175.2 | 21.6 | 0 | 0 | 116.9 | ||||
| 299 | V | 35.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | 176.7 | 118.6 | 132.4 | 150.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 300 | N | 40.9 | Very low | 36.8 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -86.9 | 147.9 | 155.5 | -164.1 | 12.4 | 0 | 0 | 0 | 106.6 | ||||
| 301 | P | 49.8 | Very low | 37.2 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 60% | 0.597 | 81% | 0.809 | S | S | * | * | -147.5 | 146.1 | 121.3 | 30.9 | -11.8 | 0 | 0 | 0 | 115.9 | |||||
| 302 | E | 34.3 | Very low | 37.5 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | 53.2 | 136.7 | 132 | -63 | -171.7 | 106.3 | 0 | 0 | 122.3 | ||||
| 303 | G | 31.2 | Very low | 37.7 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 160 | 90 | 135.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 304 | G | 30.5 | Very low | 37.9 | Very low | 85 Ų | 85 | 134 Ų | 134 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 77.7 | 134.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 305 | G | 34.4 | Very low | 37.9 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | 129 | 140.9 | 17.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 306 | A | 41.3 | Very low | 38.2 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 74.7 | 143.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 307 | D | 38.7 | Very low | 39.6 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | cis | -176 | 142 | -9.1 | -89.5 | -32.4 | 0 | 0 | 0 | 105.5 | ||||
| 308 | K | 40.5 | Very low | 40.1 | Very low | 207 Ų | 207 | 134.4 Ų | 134.4 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | 163 | 125.7 | 123.9 | -96 | -176.6 | 174.5 | 177.4 | 0 | 113.7 | |||||
| 309 | A | 41.5 | Very low | 40.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -63.7 | 155.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 310 | H | 38.5 | Very low | 40.7 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | -161.5 | 136.5 | 114.9 | -139.7 | -85.5 | 0 | 0 | 0 | 112 | |||||
| 311 | A | 42.1 | Very low | 40.7 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | trans | -78.9 | 169 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 312 | V | 42.7 | Very low | 40.2 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 149.6 | 140.9 | 145.4 | 160.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 313 | E | 36.7 | Very low | 40.5 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 63% | 0.626 | 81% | 0.806 | S | S | * | * | cis | -178 | 140.4 | -22.6 | 179.1 | 164.8 | 142.9 | 0 | 0 | 104.4 | ||||
| 314 | K | 40.6 | Very low | 41.1 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 39.6 | 128.8 | 154.9 | -64.8 | 167.6 | -167.6 | 159.2 | 0 | 121 | ||||
| 315 | S | 38.4 | Very low | 41.8 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | 161.3 | 118.4 | 98.1 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 316 | F | 40.3 | Very low | 42.2 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 89% | 0.886 | 80% | 0.803 | S | S | * | * | trans | -73.4 | 179.6 | 150.1 | -99.9 | -89.9 | 0 | 0 | 0 | 109.7 | ||||
| 317 | P | 63 | Low | 42.3 | Very low | 94 Ų | 94 | 150.9 Ų | 150.9 | 61% | 0.61 | 81% | 0.808 | S | S | * | * | cis | -134.5 | -173.6 | -14.7 | 33.2 | -11.6 | 0 | 0 | 0 | 113.8 | ||||
| 318 | E | 44.1 | Very low | 42.6 | Very low | 178 Ų | 178 | 151 Ų | 151 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 50 | 128.7 | 144.9 | -86.5 | -172 | 117.7 | 0 | 0 | 122.8 | ||||
| 319 | E | 40.2 | Very low | 42.8 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | -176 | 118.4 | 121.6 | -101.5 | -145.5 | 114.8 | 0 | 0 | 108.4 | |||||
| 320 | T | 45 | Very low | 42.9 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 100% | 1.178 | 81% | 0.806 | S | S | * | * | 67.1 | 0 | 103.5 | 45.9 | 0 | 0 | 0 | 0 | 116.3 |
Retrieved 320 of 320 residues in 151.3 ms
(Link to these results)