| 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 | 34.2 | Very low | 27.9 | Very low | 254 Ų | 254 | 116.3 Ų | 116.3 | 100% | 1.251 | 83% | 0.833 | S | S | * | * | 0 | 99.2 | 0 | -63.5 | 172.5 | 172.6 | 0 | 0 | 105.9 | |||||
| 2 | G | 29.1 | Very low | 28.7 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 92% | 0.918 | 81% | 0.812 | S | S | * | * | cis | 108.5 | 67.5 | 34 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | G | 26 | Very low | 29 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -129.5 | 103.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | G | 25.1 | Very low | 29.3 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -76.8 | 136.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 5 | V | 29.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -93.4 | 100.2 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | G7 | V5-G7 PolarHBondContact O-N 3.02Å; V5-G7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | G | 24.5 | Very low | 29.6 | Very low | 85 Ų | 85 | 118.3 Ų | 118.3 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | trans | -75.2 | 89.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G8 | G6-G8 PolarHBondContact O-N 2.91Š| ||
| 7 | G | 25.7 | Very low | 29.5 | Very low | 61 Ų | 61 | 118.8 Ų | 118.8 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | -82.4 | 103.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V5 I9 | V5-G7 PolarHBondContact O-N 3.02Å; V5-G7 VanDerWaalsContact O-N 3.11Å; G7-I9 PolarHBondContact O-N 3.41Å | ||
| 8 | G | 23.1 | Very low | 29.5 | Very low | 77 Ų | 77 | 119.7 Ų | 119.7 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -65.4 | 99.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G6 V10 | G6-G8 PolarHBondContact O-N 2.91Å; G8-V10 PolarHBondContact O-N 3.21Å | ||
| 9 | I | 28.3 | Very low | 29.4 | Very low | 144 Ų | 144 | 118.9 Ų | 118.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -73.3 | 112.4 | 162.3 | -64.6 | 172.2 | 0 | 0 | 0 | 105.7 | G7 E11 | G7-I9 PolarHBondContact O-N 3.41Å; I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 PolarHBondContact O-N 3.35Å | ||
| 10 | V | 31.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 118.6 Ų | 118.6 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -69.3 | 92.3 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 106.7 | G8 W12 | G8-V10 PolarHBondContact O-N 3.21Å; V10-W12 PolarHBondContact O-N 3.21Å | ||
| 11 | E | 29.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | trans | -69.4 | 116.1 | 176.1 | -164.5 | 175.4 | 178.8 | 0 | 0 | 108.2 | I9 R13 | I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 PolarHBondContact O-N 3.35Å; E11-R13 HydrophobicContact CG-CB 4.33Å; E11-R13 HydrophobicContact CG-CG 4.08Å; E11-R13 PolarHBondContact O-N 3.17Å; E11-R13 VanDerWaalsContact OE1-CD 3.28Å; E11-R13 WeakPolarHBondContact OE1-CD 3.43Å; E11-R13 IonicContact OE1-CZ 2.66Å; E11-R13 IonicContact OE1-NE 3.84Å; E11-R13 PolarHBondContact OE1-NE 3.14Å | ||
| 12 | W | 38.3 | Very low | 29.1 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 58% | 0.576 | 74% | 0.737 | S | S | * | * | trans | -75.4 | 62.8 | 171.7 | -154.3 | 89.9 | 0 | 0 | 0 | 108.9 | V10 P208 | V10-W12 PolarHBondContact O-N 3.21Å; W12-P208 HydrophobicContact CH2-CG 4.11Å; W12-P208 HydrophobicContact CZ2-CB 4.43Å; W12-P208 HydrophobicContact CZ2-CG 3.88Å | ||
| 13 | R | 31.7 | Very low | 29.3 | Very low | 197 Ų | 197 | 126.3 Ų | 126.3 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -102.3 | 115.7 | 165.1 | -90.9 | -171.1 | -166 | -126.1 | 0.1 | 107.9 | E11 | E11-R13 HydrophobicContact CG-CB 4.33Å; E11-R13 HydrophobicContact CG-CG 4.08Å; E11-R13 PolarHBondContact O-N 3.17Å; E11-R13 VanDerWaalsContact OE1-CD 3.28Å; E11-R13 WeakPolarHBondContact OE1-CD 3.43Å; E11-R13 IonicContact OE1-CZ 2.66Å; E11-R13 IonicContact OE1-NE 3.84Å; E11-R13 PolarHBondContact OE1-NE 3.14Å | ||
| 14 | S | 33.3 | Very low | 29.3 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 45% | 0.448 | 74% | 0.738 | S | S | . | * | trans | 50.1 | 102.2 | 155.2 | -81.7 | 0 | 0 | 0 | 0 | 118.6 | Y16 | S14-Y16 WeakPolarHBondContact CB-O 3.29Å; S14-Y16 PolarHBondContact OG-O 2.93Å | ||
| 15 | T | 32.9 | Very low | 29.5 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -90.9 | 13.6 | 135.1 | 42.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 16 | Y | 31.6 | Very low | 29.5 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 29% | 0.29 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -120.9 | 123 | 168.7 | -59.8 | -74.6 | 0 | 0 | 0 | 108.5 | S14 M18 F163 | S14-Y16 WeakPolarHBondContact CB-O 3.29Å; S14-Y16 PolarHBondContact OG-O 2.93Å; Y16-M18 PolarHBondContact O-N 3.49Å; Y16-F163 HydrophobicContact CE1-CD1 4.17Å; Y16-F163 HydrophobicContact CE1-CE1 4.03Å |
| 17 | P | 27.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -62.9 | 105.7 | 177 | 25.6 | -30.8 | 0 | 0 | 0 | 108.1 | A19 | P17-A19 PolarHBondContact O-N 3.39Š| ||
| 18 | M | 29.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | trans | -59.5 | 110.5 | 160.6 | -71.7 | -75.5 | -82.4 | 0 | 0 | 105.1 | Y16 V20 | Y16-M18 PolarHBondContact O-N 3.49Å; M18-V20 HydrophobicContact CB-CG2 4.4Å; M18-V20 PolarHBondContact O-N 2.86Å | ||
| 19 | A | 27.6 | Very low | 29.8 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -67.1 | 72.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P17 R21 | P17-A19 PolarHBondContact O-N 3.39Å; A19-R21 PolarHBondContact O-N 3.48Å | ||
| 20 | V | 30.3 | Very low | 29.8 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -73.1 | 104.2 | 156.7 | -179.9 | 0 | 0 | 0 | 0 | 104.4 | M18 D22 | M18-V20 HydrophobicContact CB-CG2 4.4Å; M18-V20 PolarHBondContact O-N 2.86Å; V20-D22 PolarHBondContact O-N 3.18Å | ||
| 21 | R | 28.2 | Very low | 29.6 | Very low | 243 Ų | 243 | 133.3 Ų | 133.3 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -66.1 | 83.6 | 172.1 | -169.4 | -179.3 | -168.7 | 172.2 | 4.1 | 108.1 | A19 | A19-R21 PolarHBondContact O-N 3.48Š| ||
| 22 | D | 28.3 | Very low | 29.4 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -96.7 | 130.5 | 169.6 | -148.5 | -2.8 | 0 | 0 | 0 | 109.9 | V20 G24 | V20-D22 PolarHBondContact O-N 3.18Å; D22-G24 PolarHBondContact O-N 2.93Å | ||
| 23 | R | 32.2 | Very low | 29 | Very low | 237 Ų | 237 | 130.8 Ų | 130.8 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -80.2 | 112 | -177 | -79.5 | -176 | -175.5 | -179.2 | 1.8 | 109.3 | ||||
| 24 | G | 27.5 | Very low | 28.8 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 85.2 | 126.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | D22 | D22-G24 PolarHBondContact O-N 2.93Š| ||
| 25 | G | 27.9 | Very low | 28.5 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 151.3 | 84.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 26 | R | 30.1 | Very low | 28.2 | Very low | 256 Ų | 256 | 136.3 Ų | 136.3 | 97% | 0.966 | 80% | 0.796 | S | S | * | * | trans | 18 | 120.5 | 148.3 | -90.3 | 176.8 | -123.8 | -127.4 | -2.4 | 119.8 | ||||
| 27 | G | 26.5 | Very low | 27.9 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | 105.5 | 116.1 | 110.9 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 28 | G | 26.9 | Very low | 27.7 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 113.3 | 117.6 | 133 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 29 | G | 26.9 | Very low | 27.6 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 98.5 | 100.9 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 30 | A | 26.9 | Very low | 27.4 | Very low | 97 Ų | 97 | 145.9 Ų | 145.9 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -84.7 | 146.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 31 | E | 28.3 | Very low | 27.1 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | trans | -155.4 | 125.5 | 152.4 | -161.4 | 95.6 | 166.4 | 0 | 0 | 108 | ||||
| 32 | A | 25.3 | Very low | 26.9 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 84% | 0.841 | S | S | * | * | trans | -109.8 | 139.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 33 | D | 28.6 | Very low | 26.7 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 85% | 0.846 | S | S | * | * | trans | -159.6 | 163.5 | 143.7 | -116.2 | -30.3 | 0 | 0 | 0 | 116.2 | ||||
| 34 | R | 28.8 | Very low | 26.3 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 81% | 0.808 | 85% | 0.846 | S | S | * | * | trans | -75.5 | 174.1 | -153.7 | -88.8 | 173.5 | -81.8 | -176.1 | -6.1 | 118.7 | ||||
| 35 | P | 25.9 | Very low | 26.7 | Very low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 84% | 0.842 | S | S | * | * | trans | -93.2 | 159.3 | -170.7 | 38 | -32 | 0 | 0 | 0 | 113.5 | ||||
| 36 | I | 27.3 | Very low | 26.6 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -117.6 | 127.6 | 173 | -62.7 | -178.7 | 0 | 0 | 0 | 110 | ||||
| 37 | E | 24.6 | Very low | 26.3 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -84.9 | 164.5 | 173.2 | -67.6 | -178.1 | 121.4 | 0 | 0 | 113 | ||||
| 38 | G | 24.3 | Very low | 26.4 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | 111.4 | 136.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 39 | E | 28.1 | Very low | 26.3 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | cis | -164.4 | 154.4 | 5.2 | -130.5 | 177.7 | 118.1 | 0 | 0 | 107.4 | ||||
| 40 | Q | 22.5 | Very low | 26.2 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -77.2 | 133 | 177.9 | -70.5 | 170.3 | -12.7 | 0 | 0 | 110.5 | ||||
| 41 | L | 25.3 | Very low | 26.6 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -125.6 | 126.2 | 155 | -131 | 94.9 | 0 | 0 | 0 | 110.8 | ||||
| 42 | L | 22.5 | Very low | 27 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -97.2 | 113.1 | -168.4 | -169.4 | 114.8 | 0 | 0 | 0 | 108.4 | ||||
| 43 | E | 24.2 | Very low | 27 | Very low | 186 Ų | 186 | 158.2 Ų | 158.2 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -143.2 | 134.1 | 159.4 | -74.2 | -145.3 | 141.3 | 0 | 0 | 112.4 | ||||
| 44 | R | 24.8 | Very low | 27 | Very low | 237 Ų | 237 | 155.1 Ų | 155.1 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | -144.7 | 164.8 | 167.5 | -92.4 | -159 | -173.7 | -161.8 | 7.1 | 106.1 | ||||
| 45 | P | 35.9 | Very low | 27 | Very low | 121 Ų | 121 | 153.8 Ų | 153.8 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | cis | -131.3 | 159.3 | -13.4 | 29.7 | -9.6 | 0 | 0 | 0 | 113.7 | ||||
| 46 | G | 25 | Very low | 27.1 | Very low | 80 Ų | 80 | 159.3 Ų | 159.3 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | -126.4 | 113.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 47 | D | 24.1 | Very low | 27.1 | Very low | 139 Ų | 139 | 163.7 Ų | 163.7 | 74% | 0.743 | 85% | 0.846 | S | S | * | * | trans | -82.3 | 121.3 | -174.3 | -155.8 | 4.6 | 0 | 0 | 0 | 110.1 | ||||
| 48 | V | 27.8 | Very low | 27.3 | Very low | 132 Ų | 132 | 159.1 Ų | 159.1 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | -141.4 | 101.7 | 159.2 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | S50 | V48-S50 PolarHBondContact O-N 2.93Š| ||
| 49 | R | 25.7 | Very low | 27.5 | Very low | 227 Ų | 227 | 162.8 Ų | 162.8 | 86% | 0.857 | 85% | 0.849 | S | S | * | * | trans | -61.7 | 127 | 164.8 | -70.1 | 177.7 | -173.1 | -171.8 | 0.9 | 109.6 | ||||
| 50 | S | 25.2 | Very low | 27.4 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | trans | -146.4 | 113.2 | 149.6 | 50 | 0 | 0 | 0 | 0 | 108.7 | V48 | V48-S50 PolarHBondContact O-N 2.93Š| ||
| 51 | V | 35.6 | Very low | 27.7 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | trans | -94 | 135 | 166.6 | 179.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 52 | P | 35.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 75% | 0.747 | 84% | 0.841 | S | S | * | * | trans | -139.2 | 133.5 | 137.3 | 22.6 | -2 | 0 | 0 | 0 | 114.9 | ||||
| 53 | F | 26.7 | Very low | 27.9 | Very low | 212 Ų | 212 | 148.2 Ų | 148.2 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | 56 | 110.8 | 124.9 | -129.6 | -100.4 | 0 | 0 | 0 | 119.4 | |||||
| 54 | G | 27.7 | Very low | 28.2 | Very low | 76 Ų | 76 | 147.9 Ų | 147.9 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | trans | 145.2 | 46.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 55 | Q | 28.9 | Very low | 28.3 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -130.3 | 108.4 | 164.2 | -80.5 | -176.8 | 1.3 | 0 | 0 | 109.1 | ||||
| 56 | R | 28.5 | Very low | 28 | Very low | 233 Ų | 233 | 140.7 Ų | 140.7 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | 156.9 | 90.2 | 148.4 | -90.4 | 168.1 | -178.6 | -109.8 | 0.6 | 109.7 | ||||
| 57 | W | 27.5 | Very low | 28.3 | Very low | 264 Ų | 264 | 148.4 Ų | 148.4 | 100% | 1 | 84% | 0.839 | S | S | * | * | trans | -154.9 | 86.4 | 148.7 | -72.1 | 108 | 0 | 0 | 0 | 108.2 | ||||
| 58 | A | 28.5 | Very low | 28.6 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | trans | -175.1 | 66.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 59 | V | 27.6 | Very low | 28.8 | Very low | 148 Ų | 148 | 150 Ų | 150 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | trans | -151.6 | 143.2 | 155.3 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 60 | A | 25.5 | Very low | 28.9 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | trans | 88.1 | 101.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 61 | T | 29.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 89% | 0.89 | 84% | 0.844 | S | S | * | * | -141.3 | 135.9 | 62 | 40.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 62 | A | 28.4 | Very low | 28.8 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 87% | 0.868 | 85% | 0.845 | S | S | * | * | trans | -92.6 | 158.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 63 | G | 25.1 | Very low | 28.5 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | trans | 121 | 94.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 64 | L | 29.1 | Very low | 28.5 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 94% | 0.942 | 84% | 0.842 | S | S | * | * | 157.9 | 93.4 | 128.7 | -80 | 178.2 | 0 | 0 | 0 | 107.9 | |||||
| 65 | G | 26.5 | Very low | 28.5 | Very low | 75 Ų | 75 | 153.3 Ų | 153.3 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 153.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 66 | P | 31.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 156.1 Ų | 156.1 | 86% | 0.857 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 145.8 | 152.3 | 14.1 | 4 | 0 | 0 | 0 | 111.1 | ||
| 67 | R | 29.5 | Very low | 28.7 | Very low | 241 Ų | 241 | 153.5 Ų | 153.5 | 91% | 0.909 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 156.8 | -177.4 | -70.3 | 178.3 | 168.5 | -153 | -2.8 | 113.9 | ||
| 68 | P | 31 | Very low | 29.1 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 132.3 | -175.1 | 31.5 | -32.6 | 0 | 0 | 0 | 112.4 | ||
| 69 | L | 31.4 | Very low | 29.5 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 93% | 0.927 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 130.5 | 159.5 | -73.1 | 168.3 | 0 | 0 | 0 | 108.2 | ||
| 70 | G | 29 | Very low | 29.7 | Very low | 63 Ų | 63 | 144.3 Ų | 144.3 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 169.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | L72 | G70-L72 PolarHBondContact O-N 3.01Å; G70-L72 VanDerWaalsContact O-N 3.16Å |
| 71 | P | 30 | Very low | 30.2 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | trans | -77.4 | 106.1 | -169.6 | 30 | -31.8 | 0 | 0 | 0 | 111.5 | V73 | P71-V73 PolarHBondContact O-N 3.34Š| ||
| 72 | L | 27.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | trans | -76.1 | 99.9 | 162.7 | -117.7 | 137.7 | 0 | 0 | 0 | 108.5 | G70 R74 | G70-L72 PolarHBondContact O-N 3.01Å; G70-L72 VanDerWaalsContact O-N 3.16Å; L72-R74 PolarHBondContact O-N 2.94Å | ||
| 73 | V | 30.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 74% | 0.739 | 83% | 0.831 | S | S | * | * | trans | -62.1 | 96.7 | 172 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | P71 | P71-V73 PolarHBondContact O-N 3.34Š| ||
| 74 | R | 26.3 | Very low | 31.1 | Very low | 230 Ų | 230 | 158.3 Ų | 158.3 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | trans | -96.4 | 93.9 | 168.6 | -141.7 | 178.7 | -166.4 | -161.7 | 3.6 | 108.5 | L72 R76 | L72-R74 PolarHBondContact O-N 2.94Å; R74-R76 PolarHBondContact O-N 3.3Å | ||
| 75 | R | 28 | Very low | 31.2 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -53.3 | 111.1 | 166.3 | -76.6 | -175.1 | 176.2 | -161.2 | 0.1 | 108.3 | Q77 | R75-Q77 PolarHBondContact O-N 2.94Š| ||
| 76 | R | 31.4 | Very low | 31.3 | Very low | 246 Ų | 246 | 161.1 Ų | 161.1 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | trans | -83.2 | 111.5 | 166.5 | -80.1 | -171.6 | 178.5 | -158.4 | 0.6 | 108 | R74 | R74-R76 PolarHBondContact O-N 3.3Š| ||
| 77 | Q | 30.7 | Very low | 31.2 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 148.8 | 166 | -80.6 | 177.3 | -3.2 | 0 | 0 | 110.3 | R75 | R75-Q77 PolarHBondContact O-N 2.94Š|
| 78 | P | 34.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 157.4 Ų | 157.4 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148 | 174.3 | 30.4 | -32.8 | 0 | 0 | 0 | 110.8 | G80 | P78-G80 PolarHBondContact O-N 2.97Š|
| 79 | P | 38.6 | Very low | 31.4 | Very low | 133 Ų | 133 | 158.5 Ų | 158.5 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123.6 | 175.3 | 29.6 | -29.7 | 0 | 0 | 0 | 110.3 | ||
| 80 | G | 30.9 | Very low | 31.2 | Very low | 67 Ų | 67 | 161 Ų | 161 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 163.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P78 | P78-G80 PolarHBondContact O-N 2.97Š|
| 81 | P | 36.4 | Very low | 31.2 | Very low | 138 Ų | 138 | 167.7 Ų | 167.7 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 145.4 | -168.5 | 33.9 | -32.7 | 0 | 0 | 0 | 112.4 | ||
| 82 | G | 31.4 | Very low | 31.3 | Very low | 72 Ų | 72 | 167.6 Ų | 167.6 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | 106 | 101.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 83 | R | 31.1 | Very low | 31.6 | Very low | 245 Ų | 245 | 166.2 Ų | 166.2 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -162.3 | 110.8 | 131.3 | -106.7 | 169.1 | -155.1 | -105.2 | 3.5 | 109.8 | ||||
| 84 | R | 37.7 | Very low | 31.8 | Very low | 251 Ų | 251 | 172.3 Ų | 172.3 | 95% | 0.947 | 84% | 0.835 | S | S | * | * | trans | -61.3 | 128.3 | 163.6 | -74.7 | 178.1 | 177.1 | -143 | -1.2 | 108.8 | ||||
| 85 | S | 31.5 | Very low | 32.2 | Very low | 103 Ų | 103 | 166.8 Ų | 166.8 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | trans | -147.2 | 101 | 163.1 | -75.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 86 | R | 29.7 | Very low | 33 | Very low | 211 Ų | 211 | 161.5 Ų | 161.5 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | trans | 33.6 | 109.4 | 143.5 | -82.7 | 173.2 | -95.8 | -113.7 | -1.3 | 118.8 | H88 | R86-H88 PolarHBondContact O-N 3.46Š| ||
| 87 | C | 29 | Very low | 33.1 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | trans | -62.4 | 114.4 | 152.2 | -65.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 88 | H | 33 | Very low | 33.6 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 73% | 0.731 | 81% | 0.814 | S | S | * | * | trans | -92.2 | 111.1 | 162.9 | -81.7 | -80.2 | 0 | 0 | 0 | 109.4 | R86 W90 | R86-H88 PolarHBondContact O-N 3.46Å; H88-W90 PolarHBondContact O-N 3.29Å | ||
| 89 | L | 31.8 | Very low | 33.7 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -58.6 | 114.1 | 168.5 | -170.4 | 75.3 | 0 | 0 | 0 | 109.8 | ||||
| 90 | W | 27.3 | Very low | 33.7 | Very low | 229 Ų | 229 | 153.5 Ų | 153.5 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -91.4 | 111.2 | 168.6 | -119.8 | 79 | 0 | 0 | 0 | 109.1 | H88 | H88-W90 PolarHBondContact O-N 3.29Š| ||
| 91 | R | 28 | Very low | 34 | Very low | 204 Ų | 204 | 159.1 Ų | 159.1 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 146.1 | 169.5 | -79.6 | -179.1 | 174.4 | -124.5 | 1.4 | 109.8 | ||
| 92 | P | 31.9 | Very low | 34.1 | Very low | 126 Ų | 126 | 159.2 Ų | 159.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 124.9 | 173.6 | 32.8 | -28.3 | 0 | 0 | 0 | 110.1 | ||
| 93 | T | 34.4 | Very low | 34.6 | Very low | 138 Ų | 138 | 159.5 Ų | 159.5 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 133.4 | 162 | 45.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 94 | R | 34.3 | Very low | 35.1 | Very low | 250 Ų | 250 | 152.1 Ų | 152.1 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -116.2 | 122.3 | -176.2 | -166.2 | -172.8 | -161.9 | -174.4 | 5.2 | 107.2 | ||||
| 95 | S | 35 | Very low | 35.5 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -166.5 | 153.2 | 145 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 96 | P | 45.9 | Very low | 36.2 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -103.9 | 125.3 | -145.8 | 35.4 | -26.2 | 0 | 0 | 0 | 112.8 | ||||
| 97 | G | 32.3 | Very low | 36.9 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -110 | 92.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | V99 | G97-V99 PolarHBondContact O-N 2.96Š| ||
| 98 | T | 41.6 | Very low | 37.9 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | trans | -71 | 82.5 | 172.2 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | R100 | T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 HydrophobicContact CG2-CG 4.03Å; T98-R100 PolarHBondContact O-N 3.49Å; T98-R100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | V | 35.3 | Very low | 38.7 | Very low | 106 Ų | 106 | 128 Ų | 128 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | trans | -78 | 92.4 | 159.3 | -176.5 | 0 | 0 | 0 | 0 | 106.2 | G97 F101 | G97-V99 PolarHBondContact O-N 2.96Å; V99-F101 HydrophobicContact CB-CD2 4.41Å; V99-F101 HydrophobicContact CB-CE2 4.37Å; V99-F101 HydrophobicContact CG1-CD2 3.7Å; V99-F101 HydrophobicContact CG1-CE2 3.62Å; V99-F101 HydrophobicContact CG1-CG 4.48Å; V99-F101 HydrophobicContact CG1-CZ 4.35Å; V99-F101 PolarHBondContact O-N 3.09Å | ||
| 100 | R | 38.7 | Very low | 39.7 | Very low | 209 Ų | 209 | 122.2 Ų | 122.2 | 79% | 0.789 | 68% | 0.676 | S | S | * | * | trans | -64.3 | 93.6 | 162.1 | -84.7 | -179.3 | -172.2 | 173.9 | 2.8 | 107 | T98 L102 | T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 HydrophobicContact CG2-CG 4.03Å; T98-R100 PolarHBondContact O-N 3.49Å; T98-R100 VanDerWaalsContact O-N 3.16Å; R100-L102 HydrophobicContact CB-CD1 4.36Å; R100-L102 PolarHBondContact O-N 3.32Å | ||
| 101 | F | 37.8 | Very low | 41.3 | Very low | 184 Ų | 184 | 113 Ų | 113 | 81% | 0.807 | 65% | 0.647 | S | S | * | * | trans | -63.3 | 93.3 | 155.1 | -82 | -89.5 | 0 | 0 | 0 | 106.8 | V99 P103 | V99-F101 HydrophobicContact CB-CD2 4.41Å; V99-F101 HydrophobicContact CB-CE2 4.37Å; V99-F101 HydrophobicContact CG1-CD2 3.7Å; V99-F101 HydrophobicContact CG1-CE2 3.62Å; V99-F101 HydrophobicContact CG1-CG 4.48Å; V99-F101 HydrophobicContact CG1-CZ 4.35Å; V99-F101 PolarHBondContact O-N 3.09Å; F101-P103 VanDerWaalsContact O-CD 3.25Å; F101-P103 WeakPolarHBondContact O-CD 3.48Å | ||
| 102 | L | 38.2 | Very low | 43 | Very low | 140 Ų | 140 | 106.7 Ų | 106.7 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 117 | 157.8 | -106.6 | 78.3 | 0 | 0 | 0 | 105.8 | R100 S104 | R100-L102 HydrophobicContact CB-CD1 4.36Å; R100-L102 PolarHBondContact O-N 3.32Å; L102-S104 PolarHBondContact O-N 3.29Å; L102-S104 VanDerWaalsContact O-N 3.12Å |
| 103 | P | 42.8 | Very low | 44.7 | Very low | 78 Ų | 78 | 110.5 Ų | 110.5 | 51% | 0.506 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 122.2 | 170.4 | 20.8 | -20.8 | 0 | 0 | 0 | 106.9 | F101 R108 | F101-P103 VanDerWaalsContact O-CD 3.25Å; F101-P103 WeakPolarHBondContact O-CD 3.48Å; P103-R108 VanDerWaalsContact O-CZ 3.27Å; P103-R108 PolarHBondContact O-NH1 3.41Å; P103-R108 PolarHBondContact O-NH2 3.34Å |
| 104 | S | 40.8 | Very low | 46.3 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 141 | 169.9 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | L102 A106 G107 | L102-S104 PolarHBondContact O-N 3.29Å; L102-S104 VanDerWaalsContact O-N 3.12Å; S104-A106 PolarHBondContact O-N 3.01Å; S104-G107 PolarHBondContact O-N 3.13Å |
| 105 | A | 46.6 | Very low | 48.5 | Very low | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -57.1 | -23.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R108 | A105-R108 VanDerWaalsContact CA-NH2 3.34Å; A105-R108 PolarHBondContact O-N 2.89Å |
| 106 | A | 45.5 | Very low | 50.6 | Low | 84 Ų | 84 | 94 Ų | 94 | 69% | 0.694 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -69.6 | -29.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S104 R108 | S104-A106 PolarHBondContact O-N 3.01Å; A106-R108 VanDerWaalsContact C-N 3.25Å; A106-R108 PolarHBondContact O-N 3.49Å |
| 107 | G | 43.9 | Very low | 52.4 | Low | 55 Ų | 55 | 96.6 Ų | 96.6 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -77.5 | -9.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | S104 | S104-G107 PolarHBondContact O-N 3.13Š|
| 108 | R | 50.5 | Low | 54.8 | Low | 97 Ų | 97 | 95.5 Ų | 95.5 | 37% | 0.366 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -41 | 179.4 | -77.4 | -171.9 | -87.4 | -95.2 | -0.4 | 111.9 | P103 A105 A106 G110 S111 F114 | P103-R108 VanDerWaalsContact O-CZ 3.27Å; P103-R108 PolarHBondContact O-NH1 3.41Å; P103-R108 PolarHBondContact O-NH2 3.34Å; A105-R108 VanDerWaalsContact CA-NH2 3.34Å; A105-R108 PolarHBondContact O-N 2.89Å; A106-R108 VanDerWaalsContact C-N 3.25Å; A106-R108 PolarHBondContact O-N 3.49Å; R108-G110 VanDerWaalsContact C-N 3.28Å; R108-G110 PolarHBondContact O-N 3.44Å; R108-S111 PolarHBondContact O-N 3.01Å; R108-F114 HydrophobicContact CB-CD2 4.41Å; R108-F114 HydrophobicContact CB-CE1 4.23Å; R108-F114 HydrophobicContact CB-CE2 3.6Å; R108-F114 HydrophobicContact CB-CZ 3.51Å; R108-F114 HydrophobicContact CG-CE2 3.93Å; R108-F114 HydrophobicContact CG-CZ 3.75Å; R108-F114 WeakPolarHBondContact O-CD2 3.3Å; R108-F114 WeakPolarHBondContact O-CE2 3.36Å; R108-F114 WeakPolarHBondContact O-CG 3.35Å |
| 109 | V | 50.8 | Low | 56.8 | Low | 58 Ų | 58 | 90.2 Ų | 90.2 | 35% | 0.352 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23 | -171.6 | -172.8 | 0 | 0 | 0 | 0 | 113.5 | E280 T281 | V109-E280 WeakPolarHBondContact CG1-O 3.49Å; V109-T281 HydrophobicContact CG1-CG2 4.36Å |
| 110 | G | 51.5 | Low | 59.2 | Low | 31 Ų | 31 | 86.3 Ų | 86.3 | 32% | 0.32 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R108 R115 | R108-G110 VanDerWaalsContact C-N 3.28Å; R108-G110 PolarHBondContact O-N 3.44Å; G110-R115 PolarHBondContact O-NH1 2.97Å |
| 111 | S | 60.8 | Low | 61.5 | Low | 35 Ų | 35 | 81.6 Ų | 81.6 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -78.6 | 137.7 | -172.6 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | R108 W113 F114 | R108-S111 PolarHBondContact O-N 3.01Å; S111-W113 PolarHBondContact O-N 3.41Å; S111-W113 VanDerWaalsContact OG-CD1 3.3Å; S111-F114 PolarHBondContact O-N 2.88Å |
| 112 | P | 65.3 | Low | 63.7 | Low | 72 Ų | 72 | 77.8 Ų | 77.8 | 47% | 0.468 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -48.7 | -33.3 | 177.1 | -26.6 | 32 | 0 | 0 | 0 | 113.5 | F114 R115 C116 | P112-F114 VanDerWaalsContact C-N 3.32Å; P112-F114 PolarHBondContact O-N 3.36Å; P112-R115 PolarHBondContact O-N 3.16Å; P112-C116 PolarHBondContact O-N 3.43Å; P112-C116 PolarHBondContact O-SG 2.91Å |
| 113 | W | 66.8 | Low | 66.1 | Low | 205 Ų | 205 | 75.5 Ų | 75.5 | 78% | 0.777 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.9 | -37.8 | 177.4 | -63.5 | 105.6 | 0 | 0 | 0 | 114.1 | S111 R117 | S111-W113 PolarHBondContact O-N 3.41Å; S111-W113 VanDerWaalsContact OG-CD1 3.3Å; W113-R117 WeakPolarHBondContact O-CB 3.08Å; W113-R117 PolarHBondContact O-N 3.35Å |
| 114 | F | 68.6 | Low | 68.4 | Low | 89 Ų | 89 | 73.9 Ų | 73.9 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -76 | -33 | 179.7 | -74.3 | -94 | 0 | 0 | 0 | 112.1 | R108 S111 P112 Y118 | R108-F114 HydrophobicContact CB-CD2 4.41Å; R108-F114 HydrophobicContact CB-CE1 4.23Å; R108-F114 HydrophobicContact CB-CE2 3.6Å; R108-F114 HydrophobicContact CB-CZ 3.51Å; R108-F114 HydrophobicContact CG-CE2 3.93Å; R108-F114 HydrophobicContact CG-CZ 3.75Å; R108-F114 WeakPolarHBondContact O-CD2 3.3Å; R108-F114 WeakPolarHBondContact O-CE2 3.36Å; R108-F114 WeakPolarHBondContact O-CG 3.35Å; S111-F114 PolarHBondContact O-N 2.88Å; P112-F114 VanDerWaalsContact C-N 3.32Å; P112-F114 PolarHBondContact O-N 3.36Å; F114-Y118 WeakPolarHBondContact O-CB 3.15Å; F114-Y118 PolarHBondContact O-N 3.2Å |
| 115 | R | 78.8 | Confident | 70.9 | Confident | 14 Ų | 14 | 74 Ų | 74 | 5% | 0.053 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -49.7 | 172 | -69 | -171.9 | -72.2 | -72.5 | 7.5 | 111.1 | G110 P112 R117 Y118 L119 Y264 T284 E287 | G110-R115 PolarHBondContact O-NH1 2.97Å; P112-R115 PolarHBondContact O-N 3.16Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 2.91Å; R115-Y118 PolarHBondContact O-N 3.43Å; R115-Y118 VanDerWaalsContact O-N 3.13Å; R115-L119 WeakPolarHBondContact O-CG 3.5Å; R115-L119 PolarHBondContact O-N 3.37Å; R115-Y264 HydrophobicContact CG-CD1 4.47Å; R115-Y264 HydrophobicContact CG-CD2 4.39Å; R115-Y264 HydrophobicContact CG-CE1 4.23Å; R115-Y264 HydrophobicContact CG-CE2 4.16Å; R115-T284 WeakPolarHBondContact CD-OG1 3.44Å; R115-E287 IonicContact CZ-OE2 3.41Å; R115-E287 VanDerWaalsContact CZ-OE2 3.25Å; R115-E287 IonicContact NE-OE2 3.31Å; R115-E287 PolarHBondContact NE-OE2 2.84Å; R115-E287 IonicContact NH2-OE2 3.8Å; R115-E287 PolarHBondContact NH2-OE2 3.31Å |
| 116 | C | 79.7 | Confident | 73 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | P112 A120 P128 | P112-C116 PolarHBondContact O-N 3.43Å; P112-C116 PolarHBondContact O-SG 2.91Å; C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.92Å; C116-P128 HydrophobicContact CB-CB 4.3Å |
| 117 | R | 84.3 | Confident | 75.2 | Confident | 179 Ų | 179 | 69.7 Ų | 69.7 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 175.1 | -174.9 | 174.5 | -179.1 | 176.9 | 0.6 | 112.3 | W113 R115 A120 V121 | W113-R117 WeakPolarHBondContact O-CB 3.08Å; W113-R117 PolarHBondContact O-N 3.35Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 2.91Å; R117-A120 PolarHBondContact O-N 3.34Å; R117-V121 HydrophobicContact CG-CG2 4.43Å; R117-V121 WeakPolarHBondContact O-CB 3.37Å; R117-V121 VanDerWaalsContact O-CG2 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 2.8Å |
| 118 | Y | 82.6 | Confident | 77.5 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 178.5 | -177.6 | -90.7 | 0 | 0 | 0 | 111.4 | F114 R115 A120 V121 Q122 Y264 L267 K271 | F114-Y118 WeakPolarHBondContact O-CB 3.15Å; F114-Y118 PolarHBondContact O-N 3.2Å; R115-Y118 PolarHBondContact O-N 3.43Å; R115-Y118 VanDerWaalsContact O-N 3.13Å; Y118-A120 PolarHBondContact O-N 2.87Å; Y118-V121 PolarHBondContact O-N 3.47Å; Y118-Q122 HydrophobicContact CD1-CG 4.24Å; Y118-Q122 HydrophobicContact CD2-CG 4.19Å; Y118-Q122 HydrophobicContact CE1-CB 4.48Å; Y118-Q122 HydrophobicContact CE1-CG 4.06Å; Y118-Q122 HydrophobicContact CE2-CG 3.99Å; Y118-Q122 HydrophobicContact CG-CG 4.32Å; Y118-Q122 VanDerWaalsContact O-CB 3.25Å; Y118-Q122 WeakPolarHBondContact O-CB 3.18Å; Y118-Q122 WeakPolarHBondContact O-CG 3.41Å; Y118-Q122 PolarHBondContact O-N 3.39Å; Y118-Y264 AromaticContact CD1-CD2 3.58Å; Y118-Y264 HydrophobicContact CD1-CD2 3.58Å; Y118-Y264 AromaticContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CE1-CD2 4.14Å; Y118-Y264 HydrophobicContact CE1-CE2 4.32Å; Y118-Y264 HydrophobicContact CG-CD2 4.2Å; Y118-Y264 AromaticContact CG-CE2 3.88Å; Y118-Y264 HydrophobicContact CG-CE2 3.88Å; Y118-L267 HydrophobicContact CE1-CB 4.29Å; Y118-K271 WeakPolarHBondContact OH-CE 3.46Å; Y118-K271 PolarHBondContact OH-NZ 3.39Å |
| 119 | L | 82.8 | Confident | 79.5 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65 | -38 | 178.3 | -66.7 | 172.9 | 0 | 0 | 0 | 112 | R115 V121 L123 S124 I127 F260 | R115-L119 WeakPolarHBondContact O-CG 3.5Å; R115-L119 PolarHBondContact O-N 3.37Å; L119-V121 PolarHBondContact O-N 2.89Å; L119-L123 HydrophobicContact CD2-CD1 3.52Å; L119-L123 WeakPolarHBondContact O-CB 3.25Å; L119-L123 PolarHBondContact O-N 3.45Å; L119-S124 PolarHBondContact O-N 3.43Å; L119-I127 HydrophobicContact CB-CD1 4.46Å; L119-F260 HydrophobicContact CD1-CB 4.11Å; L119-F260 HydrophobicContact CD1-CD1 4.41Å |
| 120 | A | 86.8 | Confident | 81.6 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 20% | 0.198 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C116 R117 Y118 S124 P128 | C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.92Å; R117-A120 PolarHBondContact O-N 3.34Å; Y118-A120 PolarHBondContact O-N 2.87Å; A120-S124 WeakPolarHBondContact CA-O 3.37Å; A120-S124 CarbonylContact O-C 3.16Å; A120-S124 VanDerWaalsContact O-C 3.31Å; A120-P128 HydrophobicContact CB-CG 4.19Å |
| 121 | V | 86.6 | Confident | 83.6 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 66% | 0.661 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -78.9 | -38 | -179 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | R117 Y118 L119 | R117-V121 HydrophobicContact CG-CG2 4.43Å; R117-V121 WeakPolarHBondContact O-CB 3.37Å; R117-V121 VanDerWaalsContact O-CG2 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 2.8Å; Y118-V121 PolarHBondContact O-N 3.47Å; L119-V121 PolarHBondContact O-N 2.89Å |
| 122 | Q | 83.7 | Confident | 85.2 | Confident | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -88.9 | -27.3 | -172.9 | -62.8 | -71.2 | -31.2 | 0 | 0 | 113.6 | Y118 | Y118-Q122 HydrophobicContact CD1-CG 4.24Å; Y118-Q122 HydrophobicContact CD2-CG 4.19Å; Y118-Q122 HydrophobicContact CE1-CB 4.48Å; Y118-Q122 HydrophobicContact CE1-CG 4.06Å; Y118-Q122 HydrophobicContact CE2-CG 3.99Å; Y118-Q122 HydrophobicContact CG-CG 4.32Å; Y118-Q122 VanDerWaalsContact O-CB 3.25Å; Y118-Q122 WeakPolarHBondContact O-CB 3.18Å; Y118-Q122 WeakPolarHBondContact O-CG 3.41Å; Y118-Q122 PolarHBondContact O-N 3.39Å |
| 123 | L | 88.5 | Confident | 86.7 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -67.6 | -178.2 | -72.7 | 144.4 | 0 | 0 | 0 | 111.3 | L119 I127 V263 L267 | L119-L123 HydrophobicContact CD2-CD1 3.52Å; L119-L123 WeakPolarHBondContact O-CB 3.25Å; L119-L123 PolarHBondContact O-N 3.45Å; L123-I127 HydrophobicContact CB-CD1 3.55Å; L123-I127 HydrophobicContact CD1-CD1 4.16Å; L123-I127 HydrophobicContact CG-CD1 4.46Å; L123-V263 HydrophobicContact CD1-CG1 3.95Å; L123-L267 HydrophobicContact CD1-CD1 3.82Å; L123-L267 HydrophobicContact CG-CD1 4.33Å |
| 124 | S | 92.5 | Very high | 88.2 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | trans | -169.8 | 137.4 | -179 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | L119 A120 A126 I127 | L119-S124 PolarHBondContact O-N 3.43Å; A120-S124 WeakPolarHBondContact CA-O 3.37Å; A120-S124 CarbonylContact O-C 3.16Å; A120-S124 VanDerWaalsContact O-C 3.31Å; S124-A126 PolarHBondContact O-N 3.36Å; S124-A126 VanDerWaalsContact O-N 3.17Å; S124-A126 WeakPolarHBondContact OG-CB 3.46Å; S124-A126 PolarHBondContact OG-N 3.32Å; S124-A126 VanDerWaalsContact OG-N 3.14Å; S124-I127 PolarHBondContact O-N 3Å | ||
| 125 | P | 91.3 | Very high | 89.5 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 60% | 0.597 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.3 | 172.2 | 29.2 | -35.8 | 0 | 0 | 0 | 113.1 | I127 P128 V129 | P125-I127 PolarHBondContact O-N 2.93Å; P125-P128 VanDerWaalsContact O-CD 3.3Å; P125-P128 WeakPolarHBondContact O-CD 3.22Å; P125-P128 WeakPolarHBondContact O-CG 3.48Å; P125-V129 WeakPolarHBondContact O-CG2 3.44Å |
| 126 | A | 91.9 | Very high | 90.5 | Very high | 36 Ų | 36 | 70 Ų | 70 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -27.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S124 V129 F130 | S124-A126 PolarHBondContact O-N 3.36Å; S124-A126 VanDerWaalsContact O-N 3.17Å; S124-A126 WeakPolarHBondContact OG-CB 3.46Å; S124-A126 PolarHBondContact OG-N 3.32Å; S124-A126 VanDerWaalsContact OG-N 3.14Å; A126-V129 WeakPolarHBondContact O-CB 3.34Å; A126-V129 PolarHBondContact O-N 3.31Å; A126-F130 HydrophobicContact CB-CD2 4.1Å; A126-F130 HydrophobicContact CB-CE2 3.97Å; A126-F130 WeakPolarHBondContact O-CD2 3.44Å; A126-F130 PolarHBondContact O-N 2.97Å |
| 127 | I | 91.9 | Very high | 91.4 | Very high | 18 Ų | 18 | 72.3 Ų | 72.3 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.6 | -59 | -176.7 | -64.6 | 165.1 | 0 | 0 | 0 | 112.2 | L119 L123 S124 P125 V129 F130 A131 Y256 F260 | L119-I127 HydrophobicContact CB-CD1 4.46Å; L123-I127 HydrophobicContact CB-CD1 3.55Å; L123-I127 HydrophobicContact CD1-CD1 4.16Å; L123-I127 HydrophobicContact CG-CD1 4.46Å; S124-I127 PolarHBondContact O-N 3Å; P125-I127 PolarHBondContact O-N 2.93Å; I127-V129 PolarHBondContact O-N 3.28Å; I127-F130 PolarHBondContact O-N 3.21Å; I127-A131 PolarHBondContact O-N 2.87Å; I127-A131 VanDerWaalsContact O-N 3.09Å; I127-Y256 WeakPolarHBondContact CA-OH 3.42Å; I127-Y256 HydrophobicContact CG2-CE1 4.22Å; I127-Y256 WeakPolarHBondContact CG2-OH 3.39Å; I127-Y256 PolarHBondContact O-OH 3.19Å; I127-F260 HydrophobicContact CD1-CD1 4.11Å; I127-F260 HydrophobicContact CD1-CE1 3.49Å; I127-F260 VanDerWaalsContact CD1-CE1 3.49Å; I127-F260 HydrophobicContact CD1-CZ 4.15Å; I127-F260 HydrophobicContact CG1-CD1 4.5Å; I127-F260 HydrophobicContact CG1-CE1 3.78Å; I127-F260 HydrophobicContact CG1-CZ 3.93Å; I127-F260 HydrophobicContact CG2-CD1 3.86Å; I127-F260 HydrophobicContact CG2-CD2 4.24Å; I127-F260 HydrophobicContact CG2-CE1 3.92Å; I127-F260 HydrophobicContact CG2-CE2 4.32Å; I127-F260 HydrophobicContact CG2-CG 4.03Å; I127-F260 HydrophobicContact CG2-CZ 4.15Å |
| 128 | P | 91.3 | Very high | 92 | Very high | 37 Ų | 37 | 64.2 Ų | 64.2 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -27.3 | 177.6 | 25.5 | -36.1 | 0 | 0 | 0 | 113.2 | C116 A120 P125 A132 | C116-P128 HydrophobicContact CB-CB 4.3Å; A120-P128 HydrophobicContact CB-CG 4.19Å; P125-P128 VanDerWaalsContact O-CD 3.3Å; P125-P128 WeakPolarHBondContact O-CD 3.22Å; P125-P128 WeakPolarHBondContact O-CG 3.48Å; P128-A132 WeakPolarHBondContact O-CB 3.49Å; P128-A132 PolarHBondContact O-N 3.31Å |
| 129 | V | 92.8 | Very high | 92.8 | Very high | 83 Ų | 83 | 65.4 Ų | 65.4 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -47.7 | 176.3 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | P125 A126 I127 A131 A132 M133 | P125-V129 WeakPolarHBondContact O-CG2 3.44Å; A126-V129 WeakPolarHBondContact O-CB 3.34Å; A126-V129 PolarHBondContact O-N 3.31Å; I127-V129 PolarHBondContact O-N 3.28Å; V129-A131 PolarHBondContact O-N 3.42Å; V129-A132 PolarHBondContact O-N 2.71Å; V129-M133 HydrophobicContact CG1-CE 4.19Å; V129-M133 WeakPolarHBondContact O-CG 3.39Å; V129-M133 PolarHBondContact O-N 3.46Å |
| 130 | F | 95.1 | Very high | 93.5 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.6 | -79 | -67.1 | 0 | 0 | 0 | 112.4 | A126 I127 A132 M133 L134 Y256 | A126-F130 HydrophobicContact CB-CD2 4.1Å; A126-F130 HydrophobicContact CB-CE2 3.97Å; A126-F130 WeakPolarHBondContact O-CD2 3.44Å; A126-F130 PolarHBondContact O-N 2.97Å; I127-F130 PolarHBondContact O-N 3.21Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.48Å; F130-M133 HydrophobicContact CB-CE 4.43Å; F130-M133 HydrophobicContact CD1-CE 3.25Å; F130-M133 HydrophobicContact CE1-CE 3.58Å; F130-M133 HydrophobicContact CG-CE 3.96Å; F130-M133 PolarHBondContact O-N 3.29Å; F130-L134 WeakPolarHBondContact O-CG 3.37Å; F130-L134 PolarHBondContact O-N 2.92Å; F130-Y256 HydrophobicContact CB-CE2 4.35Å |
| 131 | A | 94 | Very high | 94.1 | Very high | 25 Ų | 25 | 66.5 Ų | 66.5 | 21% | 0.207 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I127 V129 L134 F135 Y256 | I127-A131 PolarHBondContact O-N 2.87Å; I127-A131 VanDerWaalsContact O-N 3.09Å; V129-A131 PolarHBondContact O-N 3.42Å; A131-L134 PolarHBondContact O-N 3.5Å; A131-F135 WeakPolarHBondContact O-CB 3.37Å; A131-F135 PolarHBondContact O-N 3.04Å; A131-Y256 HydrophobicContact CB-CD1 4.17Å; A131-Y256 HydrophobicContact CB-CE1 3.85Å |
| 132 | A | 94.9 | Very high | 94.6 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | P128 V129 F130 F135 L136 | P128-A132 WeakPolarHBondContact O-CB 3.49Å; P128-A132 PolarHBondContact O-N 3.31Å; V129-A132 PolarHBondContact O-N 2.71Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.48Å; A132-F135 PolarHBondContact O-N 2.91Å; A132-L136 WeakPolarHBondContact O-CB 3.32Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.15Å; A132-L136 PolarHBondContact O-N 2.94Å |
| 133 | M | 96.8 | Very high | 95.3 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 176.1 | -71.8 | -170.8 | -62.1 | 0 | 0 | 112 | V129 F130 F135 L136 F137 | V129-M133 HydrophobicContact CG1-CE 4.19Å; V129-M133 WeakPolarHBondContact O-CG 3.39Å; V129-M133 PolarHBondContact O-N 3.46Å; F130-M133 HydrophobicContact CB-CE 4.43Å; F130-M133 HydrophobicContact CD1-CE 3.25Å; F130-M133 HydrophobicContact CE1-CE 3.58Å; F130-M133 HydrophobicContact CG-CE 3.96Å; F130-M133 PolarHBondContact O-N 3.29Å; M133-F135 VanDerWaalsContact C-N 3.34Å; M133-F135 PolarHBondContact O-N 3.41Å; M133-L136 PolarHBondContact O-N 2.88Å; M133-F137 WeakPolarHBondContact O-CB 2.76Å; M133-F137 PolarHBondContact O-N 3.34Å |
| 134 | L | 96.9 | Very high | 95.7 | Very high | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.5 | -74.5 | 173.8 | 0 | 0 | 0 | 111.7 | F130 A131 F137 S138 L253 Y256 | F130-L134 WeakPolarHBondContact O-CG 3.37Å; F130-L134 PolarHBondContact O-N 2.92Å; A131-L134 PolarHBondContact O-N 3.5Å; L134-F137 PolarHBondContact O-N 2.89Å; L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.48Å; L134-L253 HydrophobicContact CB-CB 4.33Å; L134-L253 HydrophobicContact CB-CD1 3.94Å; L134-Y256 HydrophobicContact CD1-CD2 4.46Å; L134-Y256 HydrophobicContact CD1-CG 4.39Å |
| 135 | F | 97.2 | Very high | 96 | Very high | 105 Ų | 105 | 61.9 Ų | 61.9 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176 | 175 | -98 | 0 | 0 | 0 | 112.1 | A131 A132 M133 F137 S138 M139 L253 | A131-F135 WeakPolarHBondContact O-CB 3.37Å; A131-F135 PolarHBondContact O-N 3.04Å; A132-F135 PolarHBondContact O-N 2.91Å; M133-F135 VanDerWaalsContact C-N 3.34Å; M133-F135 PolarHBondContact O-N 3.41Å; F135-F137 VanDerWaalsContact C-N 3.32Å; F135-F137 PolarHBondContact O-N 3.43Å; F135-S138 PolarHBondContact O-N 3.07Å; F135-M139 HydrophobicContact CE2-CE 4.4Å; F135-M139 HydrophobicContact CZ-CE 4.04Å; F135-M139 WeakPolarHBondContact O-CB 3.25Å; F135-M139 PolarHBondContact O-N 3.47Å; F135-L253 HydrophobicContact CB-CD2 4.14Å; F135-L253 HydrophobicContact CD2-CD2 4.2Å |
| 136 | L | 98.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 59% | 0.592 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | 178.9 | -70.2 | 173.4 | 0 | 0 | 0 | 111.6 | A132 M133 M139 A140 | A132-L136 WeakPolarHBondContact O-CB 3.32Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.15Å; A132-L136 PolarHBondContact O-N 2.94Å; M133-L136 PolarHBondContact O-N 2.88Å; L136-M139 PolarHBondContact O-N 3.46Å; L136-A140 VanDerWaalsContact O-CB 3.3Å; L136-A140 WeakPolarHBondContact O-CB 3.13Å; L136-A140 PolarHBondContact O-N 3.36Å |
| 137 | F | 98.4 | Very high | 96.6 | Very high | 101 Ų | 101 | 64.6 Ų | 64.6 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 175.5 | -178.4 | -97 | 0 | 0 | 0 | 112.2 | M133 L134 F135 A140 T141 L245 S249 | M133-F137 WeakPolarHBondContact O-CB 2.76Å; M133-F137 PolarHBondContact O-N 3.34Å; L134-F137 PolarHBondContact O-N 2.89Å; F135-F137 VanDerWaalsContact C-N 3.32Å; F135-F137 PolarHBondContact O-N 3.43Å; F137-A140 PolarHBondContact O-N 3.24Å; F137-T141 HydrophobicContact CD1-CG2 4.43Å; F137-T141 HydrophobicContact CE1-CG2 3.99Å; F137-T141 HydrophobicContact CE2-CG2 4.24Å; F137-T141 HydrophobicContact CZ-CG2 3.89Å; F137-T141 WeakPolarHBondContact O-CG2 3.36Å; F137-T141 PolarHBondContact O-N 3.16Å; F137-T141 PolarHBondContact O-OG1 2.92Å; F137-L245 HydrophobicContact CE1-CB 4.49Å; F137-L245 HydrophobicContact CZ-CB 4.43Å; F137-S249 VanDerWaalsContact CD1-CB 3.43Å |
| 138 | S | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.3 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | L134 F135 T141 L142 S249 | L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.48Å; F135-S138 PolarHBondContact O-N 3.07Å; S138-T141 WeakPolarHBondContact CA-OG1 3.34Å; S138-T141 PolarHBondContact O-N 3.05Å; S138-T141 PolarHBondContact O-OG1 2.96Å; S138-L142 WeakPolarHBondContact O-CB 3.34Å; S138-L142 PolarHBondContact O-N 3Å; S138-S249 WeakPolarHBondContact CA-OG 3.3Å |
| 139 | M | 98.1 | Very high | 96.9 | Very high | 72 Ų | 72 | 63.5 Ų | 63.5 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.1 | -174.6 | 57.2 | 63.9 | 0 | 0 | 111.7 | F135 L136 T141 L142 L143 | F135-M139 HydrophobicContact CE2-CE 4.4Å; F135-M139 HydrophobicContact CZ-CE 4.04Å; F135-M139 WeakPolarHBondContact O-CB 3.25Å; F135-M139 PolarHBondContact O-N 3.47Å; L136-M139 PolarHBondContact O-N 3.46Å; M139-T141 PolarHBondContact O-N 3.11Å; M139-L142 PolarHBondContact O-N 3.23Å; M139-L142 HydrophobicContact SD-CD2 4.27Å; M139-L143 HydrophobicContact CG-CD1 3.95Å; M139-L143 HydrophobicContact CG-CG 4.41Å; M139-L143 WeakPolarHBondContact O-CB 3.43Å; M139-L143 WeakPolarHBondContact O-CG 3.46Å; M139-L143 PolarHBondContact O-N 3.28Å; M139-L143 HydrophobicContact SD-CD1 4.2Å; M139-L143 HydrophobicContact SD-CD2 4.47Å; M139-L143 HydrophobicContact SD-CG 4.13Å |
| 140 | A | 98.4 | Very high | 97.1 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L136 F137 R144 | L136-A140 VanDerWaalsContact O-CB 3.3Å; L136-A140 WeakPolarHBondContact O-CB 3.13Å; L136-A140 PolarHBondContact O-N 3.36Å; F137-A140 PolarHBondContact O-N 3.24Å; A140-R144 WeakPolarHBondContact O-CB 3.15Å; A140-R144 WeakPolarHBondContact O-CG 3.33Å; A140-R144 PolarHBondContact O-N 2.79Å |
| 141 | T | 98.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.9 | -35 | 178.8 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | F137 S138 M139 T145 L245 F246 | F137-T141 HydrophobicContact CD1-CG2 4.43Å; F137-T141 HydrophobicContact CE1-CG2 3.99Å; F137-T141 HydrophobicContact CE2-CG2 4.24Å; F137-T141 HydrophobicContact CZ-CG2 3.89Å; F137-T141 WeakPolarHBondContact O-CG2 3.36Å; F137-T141 PolarHBondContact O-N 3.16Å; F137-T141 PolarHBondContact O-OG1 2.92Å; S138-T141 WeakPolarHBondContact CA-OG1 3.34Å; S138-T141 PolarHBondContact O-N 3.05Å; S138-T141 PolarHBondContact O-OG1 2.96Å; M139-T141 PolarHBondContact O-N 3.11Å; T141-T145 WeakPolarHBondContact O-CB 3.47Å; T141-T145 PolarHBondContact O-N 2.9Å; T141-T145 PolarHBondContact O-OG1 2.9Å; T141-L245 HydrophobicContact CG2-CB 3.88Å; T141-F246 VanDerWaalsContact OG1-CA 3.3Å; T141-F246 WeakPolarHBondContact OG1-CA 3.38Å |
| 142 | L | 98.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -56.2 | 169.5 | 174.3 | 60.6 | 0 | 0 | 0 | 110.9 | S138 M139 R144 T145 S146 V231 F246 | S138-L142 WeakPolarHBondContact O-CB 3.34Å; S138-L142 PolarHBondContact O-N 3Å; M139-L142 PolarHBondContact O-N 3.23Å; M139-L142 HydrophobicContact SD-CD2 4.27Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 PolarHBondContact O-N 3.28Å; L142-T145 WeakPolarHBondContact O-CA 3.33Å; L142-T145 WeakPolarHBondContact O-CB 3.33Å; L142-T145 PolarHBondContact O-N 2.93Å; L142-S146 PolarHBondContact O-N 3.23Å; L142-S146 PolarHBondContact O-OG 3.03Å; L142-V231 HydrophobicContact CD1-CG1 4.02Å; L142-F246 HydrophobicContact CB-CD2 3.7Å; L142-F246 HydrophobicContact CB-CE2 3.8Å; L142-F246 HydrophobicContact CB-CG 4.28Å; L142-F246 HydrophobicContact CB-CZ 4.44Å; L142-F246 HydrophobicContact CD1-CD1 4.43Å; L142-F246 HydrophobicContact CD1-CD2 4.47Å; L142-F246 HydrophobicContact CD1-CE1 4.03Å; L142-F246 HydrophobicContact CD1-CE2 4.09Å; L142-F246 HydrophobicContact CD1-CZ 3.85Å; L142-F246 HydrophobicContact CD2-CE2 4.34Å; L142-F246 HydrophobicContact CG-CE2 4.29Å |
| 143 | L | 98.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 53.4 Ų | 53.4 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | -178.9 | -65.5 | 169.2 | 0 | 0 | 0 | 111.1 | M139 T145 S146 F147 | M139-L143 HydrophobicContact CG-CD1 3.95Å; M139-L143 HydrophobicContact CG-CG 4.41Å; M139-L143 WeakPolarHBondContact O-CB 3.43Å; M139-L143 WeakPolarHBondContact O-CG 3.46Å; M139-L143 PolarHBondContact O-N 3.28Å; M139-L143 HydrophobicContact SD-CD1 4.2Å; M139-L143 HydrophobicContact SD-CD2 4.47Å; M139-L143 HydrophobicContact SD-CG 4.13Å; L143-T145 VanDerWaalsContact C-N 3.32Å; L143-T145 PolarHBondContact O-N 3.12Å; L143-S146 PolarHBondContact O-N 2.89Å; L143-F147 HydrophobicContact CB-CD2 4.28Å; L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 HydrophobicContact CD2-CD2 4.35Å; L143-F147 HydrophobicContact CD2-CE2 3.68Å; L143-F147 WeakPolarHBondContact O-CD2 3.21Å; L143-F147 PolarHBondContact O-N 3.18Å |
| 144 | R | 97.6 | Very high | 97.2 | Very high | 131 Ų | 131 | 51.8 Ų | 51.8 | 49% | 0.494 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.1 | -74 | -75.6 | -70.5 | -167.9 | -5 | 111.6 | A140 L142 S148 Y242 | A140-R144 WeakPolarHBondContact O-CB 3.15Å; A140-R144 WeakPolarHBondContact O-CG 3.33Å; A140-R144 PolarHBondContact O-N 2.79Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 PolarHBondContact O-N 3.28Å; R144-S148 WeakPolarHBondContact O-CB 3.46Å; R144-S148 PolarHBondContact O-N 3.03Å; R144-S148 VanDerWaalsContact O-N 3.13Å; R144-S148 PolarHBondContact O-OG 2.89Å; R144-Y242 HydrophobicContact CB-CD1 4.26Å; R144-Y242 HydrophobicContact CB-CD2 4.42Å; R144-Y242 HydrophobicContact CB-CG 4.04Å; R144-Y242 PolarHBondContact NH2-OH 3.16Å |
| 145 | T | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | T141 L142 L143 V231 N239 Y242 F243 | T141-T145 WeakPolarHBondContact O-CB 3.47Å; T141-T145 PolarHBondContact O-N 2.9Å; T141-T145 PolarHBondContact O-OG1 2.9Å; L142-T145 WeakPolarHBondContact O-CA 3.33Å; L142-T145 WeakPolarHBondContact O-CB 3.33Å; L142-T145 PolarHBondContact O-N 2.93Å; L143-T145 VanDerWaalsContact C-N 3.32Å; L143-T145 PolarHBondContact O-N 3.12Å; T145-V231 HydrophobicContact CG2-CB 4.29Å; T145-V231 HydrophobicContact CG2-CG1 4.06Å; T145-V231 HydrophobicContact CG2-CG2 4.36Å; T145-N239 PolarHBondContact O-ND2 3.4Å; T145-Y242 VanDerWaalsContact OG1-CB 3.29Å; T145-Y242 WeakPolarHBondContact OG1-CB 3.15Å; T145-Y242 PolarHBondContact OG1-O 3.41Å; T145-F243 HydrophobicContact CG2-CB 3.72Å; T145-F243 HydrophobicContact CG2-CD2 4.27Å; T145-F243 HydrophobicContact CG2-CG 4.49Å; T145-F243 WeakPolarHBondContact OG1-CA 3.45Å; T145-F243 PolarHBondContact OG1-N 3.24Å |
| 146 | S | 98.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 51.1 Ų | 51.1 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | -178.7 | -67.6 | 0 | 0 | 0 | 0 | 113 | L142 L143 V231 N233 | L142-S146 PolarHBondContact O-N 3.23Å; L142-S146 PolarHBondContact O-OG 3.03Å; L143-S146 PolarHBondContact O-N 2.89Å; S146-V231 VanDerWaalsContact CB-O 3.28Å; S146-V231 WeakPolarHBondContact CB-O 3.23Å; S146-V231 PolarHBondContact OG-O 3.01Å; S146-N233 PolarHBondContact O-ND2 3.18Å |
| 147 | F | 96.9 | Very high | 96.4 | Very high | 159 Ų | 159 | 50.5 Ų | 50.5 | 70% | 0.697 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -98.9 | 1.4 | -172.2 | -59.3 | -61.5 | 0 | 0 | 0 | 114.7 | L143 | L143-F147 HydrophobicContact CB-CD2 4.28Å; L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 HydrophobicContact CD2-CD2 4.35Å; L143-F147 HydrophobicContact CD2-CE2 3.68Å; L143-F147 WeakPolarHBondContact O-CD2 3.21Å; L143-F147 PolarHBondContact O-N 3.18Å |
| 148 | S | 95.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -82.6 | 147.5 | 172.6 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | R144 P150 N233 | R144-S148 WeakPolarHBondContact O-CB 3.46Å; R144-S148 PolarHBondContact O-N 3.03Å; R144-S148 VanDerWaalsContact O-N 3.13Å; R144-S148 PolarHBondContact O-OG 2.89Å; S148-P150 WeakPolarHBondContact O-CD 3.25Å; S148-N233 PolarHBondContact O-ND2 3.35Å |
| 149 | D | 96.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | trans | -62.4 | 123.3 | 164.6 | 163.8 | 24.6 | 0 | 0 | 0 | 108.5 | G151 V152 R238 S353 | D149-G151 PolarHBondContact O-N 2.92Å; D149-G151 PolarHBondContact OD1-N 3.44Å; D149-V152 PolarHBondContact OD1-N 3.4Å; D149-R238 WeakPolarHBondContact O-CB 3.36Å; D149-R238 VanDerWaalsContact OD2-CD 3.24Å; D149-R238 WeakPolarHBondContact OD2-CD 3.41Å; D149-R238 IonicContact OD2-CZ 3.02Å; D149-R238 IonicContact OD2-NE 3.79Å; D149-R238 PolarHBondContact OD2-NE 2.86Å; D149-S353 WeakPolarHBondContact OD2-CB 3.24Å; D149-S353 PolarHBondContact OD2-OG 3.04Å | ||
| 150 | P | 97 | Very high | 95.2 | Very high | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.045 | 29% | 0.288 | C | S | . | . | trans | -74.2 | -11.7 | -179.7 | 31.4 | -37.1 | 0 | 0 | 0 | 113.8 | S148 V152 V221 C234 G236 K237 R238 | S148-P150 WeakPolarHBondContact O-CD 3.25Å; P150-V152 HydrophobicContact CG-CG2 3.97Å; P150-V221 HydrophobicContact CB-CG1 4Å; P150-V221 HydrophobicContact CG-CG1 4.25Å; P150-V221 HydrophobicContact CG-CG2 4.33Å; P150-C234 HydrophobicContact CB-CB 4.07Å; P150-C234 WeakPolarHBondContact CB-O 3.31Å; P150-C234 HydrophobicContact CG-CB 4.05Å; P150-G236 CarbonylContact O-C 3.43Å; P150-G236 WeakPolarHBondContact O-CA 3.35Å; P150-K237 PolarHBondContact O-N 2.96Å; P150-K237 VanDerWaalsContact O-N 3.1Å; P150-R238 PolarHBondContact O-N 2.9Å | ||
| 151 | G | 96.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | 113.6 | 41.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D149 I153 V221 E222 | D149-G151 PolarHBondContact O-N 2.92Å; D149-G151 PolarHBondContact OD1-N 3.44Å; G151-I153 PolarHBondContact O-N 3.35Å; G151-V221 CarbonylContact O-C 3.59Å; G151-V221 WeakPolarHBondContact O-CA 3.34Å; G151-E222 PolarHBondContact O-N 2.87Å | ||
| 152 | V | 96.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 130.4 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | D149 P150 N219 C220 V354 L355 | D149-V152 PolarHBondContact OD1-N 3.4Å; P150-V152 HydrophobicContact CG-CG2 3.97Å; V152-N219 HydrophobicContact CG1-CB 3.97Å; V152-C220 WeakPolarHBondContact CA-O 3.32Å; V152-V354 VanDerWaalsContact O-CG2 3.25Å; V152-V354 WeakPolarHBondContact O-CG2 3.28Å; V152-L355 HydrophobicContact CB-CD1 3.91Å; V152-L355 HydrophobicContact CB-CD2 4.32Å; V152-L355 HydrophobicContact CB-CG 4.33Å; V152-L355 HydrophobicContact CG1-CD1 4.36Å; V152-L355 HydrophobicContact CG1-CD2 4.11Å; V152-L355 HydrophobicContact CG2-CD1 4.43Å |
| 153 | I | 95.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.1 | 175.5 | -55.8 | 169.4 | 0 | 0 | 0 | 107.5 | G151 I205 P208 A211 C220 E222 | G151-I153 PolarHBondContact O-N 3.35Å; I153-I205 HydrophobicContact CB-CD1 4.19Å; I153-I205 HydrophobicContact CG2-CD1 3.59Å; I153-P208 HydrophobicContact CD1-CG 3.9Å; I153-A211 HydrophobicContact CD1-CB 3.72Å; I153-C220 HydrophobicContact CB-CB 4.24Å; I153-C220 HydrophobicContact CD1-CB 4.31Å; I153-C220 PolarHBondContact N-O 2.94Å; I153-E222 HydrophobicContact CD1-CB 4.26Å; I153-E222 HydrophobicContact CG1-CB 4.29Å |
| 154 | P | 93.9 | Very high | 93.3 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 146.4 | 175.1 | -25.1 | 33.9 | 0 | 0 | 0 | 111.6 | V354 L355 | P154-V354 HydrophobicContact CG-CB 4.47Å; P154-V354 HydrophobicContact CG-CG2 4.11Å; P154-L355 HydrophobicContact CG-CD2 4.45Å |
| 155 | R | 93.3 | Very high | 92.8 | Very high | 119 Ų | 119 | 51 Ų | 51 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 150 | 171.4 | -59 | -178.8 | -178.5 | 176.9 | -7.2 | 108.5 | C203 D218 | R155-C203 WeakPolarHBondContact CA-O 3.41Å; R155-C203 HydrophobicContact CG-CB 4.17Å; R155-D218 IonicContact CZ-OD2 3.61Å; R155-D218 VanDerWaalsContact NH2-CG 3.31Å; R155-D218 PolarHBondContact NH2-O 3.04Å; R155-D218 IonicContact NH2-OD1 3.6Å; R155-D218 IonicContact NH2-OD2 3.82Å; R155-D218 PolarHBondContact NH2-OD2 3.03Å |
| 156 | A | 91.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E160 A161 C203 K204 I205 | A156-E160 HydrophobicContact CB-CB 4.06Å; A156-A161 HydrophobicContact CB-CB 4.05Å; A156-C203 PolarHBondContact N-O 3.36Å; A156-K204 HydrophobicContact CB-CB 4.04Å; A156-K204 WeakPolarHBondContact CB-O 3.4Å; A156-I205 HydrophobicContact CB-CG2 3.82Å |
| 157 | L | 90.9 | Very high | 91.5 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 52% | 0.518 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 158.1 | 169.4 | -67.8 | 168.8 | 0 | 0 | 0 | 110.1 | D159 E160 A161 | L157-D159 VanDerWaalsContact C-N 3.25Å; L157-D159 WeakPolarHBondContact CB-OD1 3.32Å; L157-D159 PolarHBondContact O-N 3.31Å; L157-E160 HydrophobicContact CB-CB 4.32Å; L157-E160 HydrophobicContact CB-CG 4.06Å; L157-E160 PolarHBondContact N-OE2 2.66Å; L157-E160 PolarHBondContact O-N 2.99Å; L157-E160 VanDerWaalsContact O-N 3.16Å; L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 2.86Å |
| 158 | P | 90.9 | Very high | 90.9 | Very high | 100 Ų | 100 | 51 Ų | 51 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.3 | -38.3 | -176.9 | -27.2 | 35.7 | 0 | 0 | 0 | 114 | A162 | P158-A162 WeakPolarHBondContact O-CB 3.35Å; P158-A162 PolarHBondContact O-N 2.85Å |
| 159 | D | 90 | Very high | 90.3 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -69.4 | -45.3 | 175.4 | 59.4 | -28.7 | 0 | 0 | 0 | 112.3 | L157 A161 A162 F163 | L157-D159 VanDerWaalsContact C-N 3.25Å; L157-D159 WeakPolarHBondContact CB-OD1 3.32Å; L157-D159 PolarHBondContact O-N 3.31Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 3Å; D159-A162 PolarHBondContact O-N 2.84Å; D159-F163 WeakPolarHBondContact O-CB 3.11Å; D159-F163 PolarHBondContact O-N 3.39Å |
| 160 | E | 88.9 | Confident | 89.4 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 173.8 | -67.1 | 178.2 | 157.8 | 0 | 0 | 111.6 | A156 L157 F163 I164 | A156-E160 HydrophobicContact CB-CB 4.06Å; L157-E160 HydrophobicContact CB-CB 4.32Å; L157-E160 HydrophobicContact CB-CG 4.06Å; L157-E160 PolarHBondContact N-OE2 2.66Å; L157-E160 PolarHBondContact O-N 2.99Å; L157-E160 VanDerWaalsContact O-N 3.16Å; E160-F163 PolarHBondContact O-N 2.88Å; E160-I164 WeakPolarHBondContact O-CB 3.41Å; E160-I164 WeakPolarHBondContact O-CD1 3.4Å; E160-I164 WeakPolarHBondContact O-CG1 3.25Å; E160-I164 PolarHBondContact O-N 2.89Å |
| 161 | A | 89.9 | Confident | 88.3 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | A156 L157 D159 F163 I164 E165 K204 | A156-A161 HydrophobicContact CB-CB 4.05Å; L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 2.86Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 3Å; A161-F163 VanDerWaalsContact C-N 3.34Å; A161-F163 PolarHBondContact O-N 3Å; A161-I164 PolarHBondContact O-N 2.96Å; A161-E165 WeakPolarHBondContact O-CB 3.36Å; A161-E165 WeakPolarHBondContact O-CG 3.45Å; A161-E165 PolarHBondContact O-N 3.13Å; A161-K204 HydrophobicContact CB-CB 3.69Å; A161-K204 HydrophobicContact CB-CG 4.16Å |
| 162 | A | 87.6 | Confident | 87.1 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 49% | 0.488 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P158 D159 E165 M166 | P158-A162 WeakPolarHBondContact O-CB 3.35Å; P158-A162 PolarHBondContact O-N 2.85Å; D159-A162 PolarHBondContact O-N 2.84Å; A162-E165 PolarHBondContact O-N 3.31Å; A162-M166 WeakPolarHBondContact O-CB 3.25Å; A162-M166 PolarHBondContact O-N 3.42Å |
| 163 | F | 88.2 | Confident | 85.6 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 176.2 | 179.3 | -94.6 | 0 | 0 | 0 | 112.1 | Y16 D159 E160 A161 E165 M166 E167 | Y16-F163 HydrophobicContact CE1-CD1 4.17Å; Y16-F163 HydrophobicContact CE1-CE1 4.03Å; D159-F163 WeakPolarHBondContact O-CB 3.11Å; D159-F163 PolarHBondContact O-N 3.39Å; E160-F163 PolarHBondContact O-N 2.88Å; A161-F163 VanDerWaalsContact C-N 3.34Å; A161-F163 PolarHBondContact O-N 3Å; F163-E165 VanDerWaalsContact C-N 3.32Å; F163-E165 PolarHBondContact O-N 2.86Å; F163-M166 HydrophobicContact CD2-CE 3.92Å; F163-M166 HydrophobicContact CE2-CE 4.06Å; F163-M166 PolarHBondContact O-N 3.48Å; F163-E167 PolarHBondContact O-N 2.72Å |
| 164 | I | 86.4 | Confident | 84 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.7 | -71.1 | 164.7 | 0 | 0 | 0 | 110.8 | E160 A161 E167 I168 Y199 F206 | E160-I164 WeakPolarHBondContact O-CB 3.41Å; E160-I164 WeakPolarHBondContact O-CD1 3.4Å; E160-I164 WeakPolarHBondContact O-CG1 3.25Å; E160-I164 PolarHBondContact O-N 2.89Å; A161-I164 PolarHBondContact O-N 2.96Å; I164-E167 PolarHBondContact O-N 3.41Å; I164-I168 HydrophobicContact CG2-CD1 3.76Å; I164-I168 VanDerWaalsContact O-CD1 3.31Å; I164-I168 WeakPolarHBondContact O-CD1 3.48Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 2.78Å; I164-Y199 HydrophobicContact CG2-CD2 4.15Å; I164-Y199 HydrophobicContact CG2-CE2 3.55Å; I164-F206 HydrophobicContact CG2-CD2 3.96Å; I164-F206 HydrophobicContact CG2-CE2 3.66Å |
| 165 | E | 87.6 | Confident | 82.6 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 23% | 0.234 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | 178.4 | -71.9 | -174.8 | 160.6 | 0 | 0 | 112.1 | A161 A162 F163 I168 E169 Y199 K204 | A161-E165 WeakPolarHBondContact O-CB 3.36Å; A161-E165 WeakPolarHBondContact O-CG 3.45Å; A161-E165 PolarHBondContact O-N 3.13Å; A162-E165 PolarHBondContact O-N 3.31Å; F163-E165 VanDerWaalsContact C-N 3.32Å; F163-E165 PolarHBondContact O-N 2.86Å; E165-I168 WeakPolarHBondContact O-CB 3.38Å; E165-I168 PolarHBondContact O-N 2.96Å; E165-E169 WeakPolarHBondContact O-CB 3.46Å; E165-E169 WeakPolarHBondContact O-CG 3.24Å; E165-E169 PolarHBondContact O-N 3.32Å; E165-Y199 WeakPolarHBondContact CG-OH 3.37Å; E165-Y199 PolarHBondContact OE1-OH 3.14Å; E165-K204 VanDerWaalsContact OE1-CD 3.24Å; E165-K204 WeakPolarHBondContact OE1-CD 3.36Å; E165-K204 WeakPolarHBondContact OE1-CE 3.4Å; E165-K204 IonicContact OE1-NZ 2.76Å; E165-K204 PolarHBondContact OE1-NZ 3.06Å; E165-K204 IonicContact OE2-NZ 3.55Å |
| 166 | M | 84.7 | Confident | 81.5 | Confident | 111 Ų | 111 | 66 Ų | 66 | 55% | 0.547 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 171.9 | -175 | -170.8 | 71 | 0 | 0 | 112.2 | A162 F163 I168 E169 A170 | A162-M166 WeakPolarHBondContact O-CB 3.25Å; A162-M166 PolarHBondContact O-N 3.42Å; F163-M166 HydrophobicContact CD2-CE 3.92Å; F163-M166 HydrophobicContact CE2-CE 4.06Å; F163-M166 PolarHBondContact O-N 3.48Å; M166-I168 VanDerWaalsContact C-N 3.26Å; M166-I168 PolarHBondContact O-N 2.93Å; M166-E169 PolarHBondContact O-N 3.05Å; M166-A170 WeakPolarHBondContact O-CB 3.45Å; M166-A170 PolarHBondContact O-N 3.08Å |
| 167 | E | 84.3 | Confident | 80.3 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 176.2 | -174.8 | -174.1 | 165.1 | 0 | 0 | 110.8 | F163 I164 T171 K186 | F163-E167 PolarHBondContact O-N 2.72Å; I164-E167 PolarHBondContact O-N 3.41Å; E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 VanDerWaalsContact O-N 3.1Å; E167-T171 PolarHBondContact O-OG1 3.41Å; E167-K186 IonicContact OE1-NZ 2.64Å; E167-K186 PolarHBondContact OE1-NZ 2.96Å; E167-K186 VanDerWaalsContact OE1-NZ 3.08Å; E167-K186 IonicContact OE2-NZ 3.88Å |
| 168 | I | 83.3 | Confident | 79.1 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.041 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 176.8 | -68.7 | 162.5 | 0 | 0 | 0 | 111.1 | I164 E165 M166 T171 N172 R184 Y199 F206 | I164-I168 HydrophobicContact CG2-CD1 3.76Å; I164-I168 VanDerWaalsContact O-CD1 3.31Å; I164-I168 WeakPolarHBondContact O-CD1 3.48Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 2.78Å; E165-I168 WeakPolarHBondContact O-CB 3.38Å; E165-I168 PolarHBondContact O-N 2.96Å; M166-I168 VanDerWaalsContact C-N 3.26Å; M166-I168 PolarHBondContact O-N 2.93Å; I168-T171 PolarHBondContact O-N 2.87Å; I168-N172 PolarHBondContact O-N 2.86Å; I168-N172 PolarHBondContact O-ND2 3.47Å; I168-R184 HydrophobicContact CG2-CB 4.46Å; I168-R184 HydrophobicContact CG2-CG 3.63Å; I168-Y199 HydrophobicContact CD1-CD1 4.37Å; I168-Y199 HydrophobicContact CD1-CD2 3.94Å; I168-Y199 HydrophobicContact CD1-CE1 4.4Å; I168-Y199 HydrophobicContact CD1-CE2 4.04Å; I168-Y199 HydrophobicContact CD1-CG 4.12Å; I168-F206 HydrophobicContact CD1-CE2 4Å; I168-F206 HydrophobicContact CD1-CZ 3.68Å; I168-F206 HydrophobicContact CG1-CE2 4.15Å; I168-F206 HydrophobicContact CG1-CZ 3.7Å |
| 169 | E | 82.3 | Confident | 77.9 | Confident | 118 Ų | 118 | 76.1 Ų | 76.1 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 179.1 | -76.1 | 174.9 | -170.6 | 0 | 0 | 112.4 | E165 M166 T171 N172 G173 | E165-E169 WeakPolarHBondContact O-CB 3.46Å; E165-E169 WeakPolarHBondContact O-CG 3.24Å; E165-E169 PolarHBondContact O-N 3.32Å; M166-E169 PolarHBondContact O-N 3.05Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.5Å; E169-N172 CarbonylContact O-C 3.27Å; E169-N172 WeakPolarHBondContact O-CA 3.3Å; E169-N172 WeakPolarHBondContact O-CB 3.44Å; E169-N172 PolarHBondContact O-N 3.4Å; E169-G173 PolarHBondContact O-N 3.23Å |
| 170 | A | 78.5 | Confident | 76.5 | Confident | 71 Ų | 71 | 81.9 Ų | 81.9 | 59% | 0.587 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M166 N172 G173 | M166-A170 WeakPolarHBondContact O-CB 3.45Å; M166-A170 PolarHBondContact O-N 3.08Å; A170-N172 VanDerWaalsContact C-N 3.29Å; A170-N172 PolarHBondContact O-N 3.44Å; A170-G173 PolarHBondContact O-N 3.34Å |
| 171 | T | 73.1 | Confident | 75.2 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 53% | 0.534 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 174.5 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | E167 I168 E169 | E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 VanDerWaalsContact O-N 3.1Å; E167-T171 PolarHBondContact O-OG1 3.41Å; I168-T171 PolarHBondContact O-N 2.87Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.5Å |
| 172 | N | 71.9 | Confident | 73.9 | Confident | 31 Ų | 31 | 84.5 Ų | 84.5 | 17% | 0.166 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -75.7 | -27.9 | 175.9 | -63.8 | -32.3 | 0 | 0 | 0 | 112.9 | I168 E169 A170 A174 V175 P181 P182 | I168-N172 PolarHBondContact O-N 2.86Å; I168-N172 PolarHBondContact O-ND2 3.47Å; E169-N172 CarbonylContact O-C 3.27Å; E169-N172 WeakPolarHBondContact O-CA 3.3Å; E169-N172 WeakPolarHBondContact O-CB 3.44Å; E169-N172 PolarHBondContact O-N 3.4Å; A170-N172 VanDerWaalsContact C-N 3.29Å; A170-N172 PolarHBondContact O-N 3.44Å; N172-A174 PolarHBondContact O-N 3.39Å; N172-V175 WeakPolarHBondContact O-CB 3.35Å; N172-V175 WeakPolarHBondContact O-CG2 3.46Å; N172-V175 PolarHBondContact O-N 3Å; N172-P181 HydrophobicContact CB-CB 4.33Å; N172-P182 VanDerWaalsContact OD1-CD 3.24Å; N172-P182 WeakPolarHBondContact OD1-CD 3.27Å; N172-P182 VanDerWaalsContact OD1-CG 3.28Å; N172-P182 WeakPolarHBondContact OD1-CG 3.37Å |
| 173 | G | 64.9 | Low | 72.8 | Confident | 66 Ų | 66 | 86.4 Ų | 86.4 | 68% | 0.68 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -17.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E169 A170 V175 | E169-G173 PolarHBondContact O-N 3.23Å; A170-G173 PolarHBondContact O-N 3.34Å; G173-V175 PolarHBondContact O-N 3.27Å |
| 174 | A | 62.5 | Low | 72.3 | Confident | 87 Ų | 87 | 84.8 Ų | 84.8 | 72% | 0.719 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -3.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N172 | N172-A174 PolarHBondContact O-N 3.39Š|
| 175 | V | 64.9 | Low | 72 | Confident | 38 Ų | 38 | 87.5 Ų | 87.5 | 23% | 0.23 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -95.1 | 126 | -178.6 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | N172 G173 Q179 P182 | N172-V175 WeakPolarHBondContact O-CB 3.35Å; N172-V175 WeakPolarHBondContact O-CG2 3.46Å; N172-V175 PolarHBondContact O-N 3Å; G173-V175 PolarHBondContact O-N 3.27Å; V175-Q179 HydrophobicContact CG1-CB 3.48Å; V175-Q179 VanDerWaalsContact CG1-CB 3.48Å; V175-P182 VanDerWaalsContact CG2-CD 3.49Å; V175-P182 HydrophobicContact CG2-CG 4.16Å |
| 176 | P | 69.9 | Low | 71.7 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 143.8 | 175.8 | -25.3 | 34 | 0 | 0 | 0 | 113 | G178 Q179 | P176-G178 PolarHBondContact O-N 2.86Å; P176-Q179 PolarHBondContact O-N 3.01Å |
| 177 | Q | 64.6 | Low | 71.6 | Confident | 207 Ų | 207 | 88.4 Ų | 88.4 | 97% | 0.967 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 126.1 | 175.9 | -79.1 | -177.3 | -23 | 0 | 0 | 110.7 | ||
| 178 | G | 65.9 | Low | 71.4 | Confident | 88 Ų | 88 | 88.9 Ų | 88.9 | 91% | 0.907 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.5 | -11.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | P176 | P176-G178 PolarHBondContact O-N 2.86Š|
| 179 | Q | 66.8 | Low | 71.3 | Confident | 133 Ų | 133 | 94.9 Ų | 94.9 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -90.6 | 144.7 | 169.7 | -96.8 | 176.8 | -16.3 | 0 | 0 | 112.2 | V175 P176 | V175-Q179 HydrophobicContact CG1-CB 3.48Å; V175-Q179 VanDerWaalsContact CG1-CB 3.48Å; P176-Q179 PolarHBondContact O-N 3.01Å |
| 180 | R | 59.3 | Low | 71.2 | Confident | 232 Ų | 232 | 90.5 Ų | 90.5 | 88% | 0.875 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 128.4 | 174.1 | -174.9 | 177.2 | -178.9 | 153.2 | 2.2 | 108.7 | ||
| 181 | P | 63 | Low | 71.1 | Confident | 78 Ų | 78 | 92.9 Ų | 92.9 | 51% | 0.506 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 142.1 | 179 | 22.5 | -32.4 | 0 | 0 | 0 | 110.2 | N172 | N172-P181 HydrophobicContact CB-CB 4.33Š|
| 182 | P | 61.5 | Low | 71.3 | Confident | 51 Ų | 51 | 96.1 Ų | 96.1 | 33% | 0.331 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 146.2 | -178.5 | 21.8 | -32.6 | 0 | 0 | 0 | 110.1 | N172 V175 R184 | N172-P182 VanDerWaalsContact OD1-CD 3.24Å; N172-P182 WeakPolarHBondContact OD1-CD 3.27Å; N172-P182 VanDerWaalsContact OD1-CG 3.28Å; N172-P182 WeakPolarHBondContact OD1-CG 3.37Å; V175-P182 VanDerWaalsContact CG2-CD 3.49Å; V175-P182 HydrophobicContact CG2-CG 4.16Å; P182-R184 PolarHBondContact O-N 2.9Å |
| 183 | P | 65.3 | Low | 71.7 | Confident | 99 Ų | 99 | 97.3 Ų | 97.3 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 133.3 | 176.9 | 26.5 | -34.2 | 0 | 0 | 0 | 109 | I185 | P183-I185 HydrophobicContact CB-CD1 3.72Å; P183-I185 HydrophobicContact CB-CG1 3.98Å; P183-I185 HydrophobicContact CG-CD1 3.72Å; P183-I185 HydrophobicContact CG-CG1 4.29Å; P183-I185 PolarHBondContact O-N 3.47Å |
| 184 | R | 78.2 | Confident | 72.5 | Confident | 65 Ų | 65 | 99.2 Ų | 99.2 | 25% | 0.245 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -63.7 | 78.1 | 179.8 | -58.2 | -175.7 | 176.3 | -132 | -0.8 | 110.7 | I168 P182 Y199 Y201 | I168-R184 HydrophobicContact CG2-CB 4.46Å; I168-R184 HydrophobicContact CG2-CG 3.63Å; P182-R184 PolarHBondContact O-N 2.9Å; R184-Y199 HydrophobicContact CB-CG 4.44Å; R184-Y199 PolarHBondContact O-N 3.22Å; R184-Y201 WeakPolarHBondContact CD-OH 3.25Å |
| 185 | I | 79.6 | Confident | 73.4 | Confident | 65 Ų | 65 | 96.5 Ų | 96.5 | 33% | 0.333 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.2 | -172.8 | -62.8 | 175.9 | 0 | 0 | 0 | 109 | P183 K196 L197 | P183-I185 HydrophobicContact CB-CD1 3.72Å; P183-I185 HydrophobicContact CB-CG1 3.98Å; P183-I185 HydrophobicContact CG-CD1 3.72Å; P183-I185 HydrophobicContact CG-CG1 4.29Å; P183-I185 PolarHBondContact O-N 3.47Å; I185-K196 HydrophobicContact CG2-CB 3.54Å; I185-K196 HydrophobicContact CG2-CD 4.19Å; I185-K196 HydrophobicContact CG2-CG 3.78Å; I185-L197 WeakPolarHBondContact CA-O 3.34Å |
| 186 | K | 81.1 | Confident | 74.3 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 33% | 0.326 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.9 | 172 | -166.9 | 162.6 | -173.4 | 150.2 | 0 | 109 | E167 L197 F206 | E167-K186 IonicContact OE1-NZ 2.64Å; E167-K186 PolarHBondContact OE1-NZ 2.96Å; E167-K186 VanDerWaalsContact OE1-NZ 3.08Å; E167-K186 IonicContact OE2-NZ 3.88Å; K186-L197 HydrophobicContact CB-CB 4.28Å; K186-L197 PolarHBondContact N-O 3.39Å; K186-L197 VanDerWaalsContact N-O 3.08Å; K186-L197 WeakPolarHBondContact O-CB 3.47Å; K186-L197 WeakPolarHBondContact O-CG 3.42Å; K186-L197 PolarHBondContact O-N 3.07Å; K186-F206 HydrophobicContact CB-CD1 4.03Å; K186-F206 HydrophobicContact CB-CE1 4.09Å; K186-F206 HydrophobicContact CB-CG 4.45Å; K186-F206 HydrophobicContact CD-CD2 4.5Å |
| 187 | N | 81.9 | Confident | 75.2 | Confident | 106 Ų | 106 | 97.7 Ų | 97.7 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.8 | 177.3 | -70.9 | -35.4 | 0 | 0 | 0 | 109.4 | I194 | N187-I194 HydrophobicContact CB-CG2 3.68Å |
| 188 | F | 81.2 | Confident | 76.5 | Confident | 74 Ų | 74 | 94 Ų | 94 | 33% | 0.325 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.9 | 178.7 | -170 | -95.3 | 0 | 0 | 0 | 109.5 | I190 V195 L197 P209 | F188-I190 HydrophobicContact CD1-CD1 4.15Å; F188-I190 HydrophobicContact CD1-CG1 3.66Å; F188-I190 HydrophobicContact CE1-CD1 4.44Å; F188-I190 HydrophobicContact CE1-CG1 3.85Å; F188-V195 PolarHBondContact N-O 3.44Å; F188-V195 PolarHBondContact O-N 3.3Å; F188-L197 HydrophobicContact CB-CD1 3.96Å; F188-L197 HydrophobicContact CB-CD2 4.11Å; F188-L197 HydrophobicContact CB-CG 3.91Å; F188-L197 HydrophobicContact CG-CD1 4.41Å; F188-P209 HydrophobicContact CD1-CG 4.07Å; F188-P209 HydrophobicContact CE1-CG 4.45Å |
| 189 | Q | 80.9 | Confident | 77.8 | Confident | 134 Ų | 134 | 90.3 Ų | 90.3 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131 | -178.8 | -68.6 | -169.7 | 7.9 | 0 | 0 | 111.4 | Q193 I194 | Q189-Q193 CarbonylContact C-O 3.49Å; Q189-Q193 WeakPolarHBondContact CA-O 3.19Å; Q189-I194 HydrophobicContact CG-CG1 4.01Å |
| 190 | I | 80.3 | Confident | 79.1 | Confident | 25 Ų | 25 | 84 Ų | 84 | 13% | 0.128 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 119.2 | 174.1 | -53.6 | 178 | 0 | 0 | 0 | 107.1 | F188 N192 Q193 V195 P209 Y333 | F188-I190 HydrophobicContact CD1-CD1 4.15Å; F188-I190 HydrophobicContact CD1-CG1 3.66Å; F188-I190 HydrophobicContact CE1-CD1 4.44Å; F188-I190 HydrophobicContact CE1-CG1 3.85Å; I190-N192 PolarHBondContact O-N 3.44Å; I190-Q193 PolarHBondContact N-O 2.91Å; I190-Q193 WeakPolarHBondContact O-CB 3.26Å; I190-Q193 PolarHBondContact O-N 2.86Å; I190-V195 HydrophobicContact CB-CG2 4.45Å; I190-V195 HydrophobicContact CD1-CB 4.28Å; I190-V195 HydrophobicContact CD1-CG2 3.87Å; I190-V195 HydrophobicContact CG1-CG2 4.2Å; I190-P209 HydrophobicContact CD1-CB 3.66Å; I190-P209 HydrophobicContact CD1-CG 3.62Å; I190-Y333 HydrophobicContact CD1-CE1 4.05Å; I190-Y333 WeakPolarHBondContact CD1-OH 3.25Å; I190-Y333 HydrophobicContact CG2-CE1 4.25Å |
| 191 | N | 75.4 | Confident | 80.7 | Confident | 122 Ų | 122 | 79.6 Ų | 79.6 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 47.2 | -178.4 | -61.4 | -22.3 | 0 | 0 | 0 | 112.2 | Q193 P332 | N191-Q193 PolarHBondContact O-N 3.35Å; N191-Q193 VanDerWaalsContact O-N 3.12Å; N191-P332 PolarHBondContact ND2-O 3.15Å |
| 192 | N | 78.2 | Confident | 82.1 | Confident | 155 Ų | 155 | 79.3 Ų | 79.3 | 83% | 0.829 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 11.5 | -178 | -59 | 59.2 | 0 | 0 | 0 | 115.3 | I190 | I190-N192 PolarHBondContact O-N 3.44Š|
| 193 | Q | 80.5 | Confident | 83.7 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.8 | 172 | -61.3 | -174.2 | -1 | 0 | 0 | 111 | Q189 I190 N191 V195 Q330 | Q189-Q193 CarbonylContact C-O 3.49Å; Q189-Q193 WeakPolarHBondContact CA-O 3.19Å; I190-Q193 PolarHBondContact N-O 2.91Å; I190-Q193 WeakPolarHBondContact O-CB 3.26Å; I190-Q193 PolarHBondContact O-N 2.86Å; N191-Q193 PolarHBondContact O-N 3.35Å; N191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-V195 PolarHBondContact O-N 2.65Å; Q193-Q330 PolarHBondContact NE2-O 3.28Å; Q193-Q330 PolarHBondContact OE1-O 2.71Å |
| 194 | I | 80.4 | Confident | 85.1 | Confident | 106 Ų | 106 | 75.5 Ų | 75.5 | 54% | 0.544 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 112.8 | 176.7 | -60.5 | 171 | 0 | 0 | 0 | 109.9 | N187 Q189 | N187-I194 HydrophobicContact CB-CG2 3.68Å; Q189-I194 HydrophobicContact CG-CG1 4.01Å |
| 195 | V | 82.4 | Confident | 85.8 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.4 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | F188 I190 Q193 L197 | F188-V195 PolarHBondContact N-O 3.44Å; F188-V195 PolarHBondContact O-N 3.3Å; I190-V195 HydrophobicContact CB-CG2 4.45Å; I190-V195 HydrophobicContact CD1-CB 4.28Å; I190-V195 HydrophobicContact CD1-CG2 3.87Å; I190-V195 HydrophobicContact CG1-CG2 4.2Å; Q193-V195 PolarHBondContact O-N 2.65Å; V195-L197 PolarHBondContact O-N 3.37Å |
| 196 | K | 84.1 | Confident | 86.5 | Confident | 139 Ų | 139 | 71.5 Ų | 71.5 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110.9 | 179.2 | -71.8 | -179.1 | -177.6 | -178.4 | 0 | 110.8 | I185 | I185-K196 HydrophobicContact CG2-CB 3.54Å; I185-K196 HydrophobicContact CG2-CD 4.19Å; I185-K196 HydrophobicContact CG2-CG 3.78Å |
| 197 | L | 89.2 | Confident | 87.1 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.7 | 173 | -52.7 | -174 | 0 | 0 | 0 | 110 | I185 K186 F188 V195 R207 P209 | I185-L197 WeakPolarHBondContact CA-O 3.34Å; K186-L197 HydrophobicContact CB-CB 4.28Å; K186-L197 PolarHBondContact N-O 3.39Å; K186-L197 VanDerWaalsContact N-O 3.08Å; K186-L197 WeakPolarHBondContact O-CB 3.47Å; K186-L197 WeakPolarHBondContact O-CG 3.42Å; K186-L197 PolarHBondContact O-N 3.07Å; F188-L197 HydrophobicContact CB-CD1 3.96Å; F188-L197 HydrophobicContact CB-CD2 4.11Å; F188-L197 HydrophobicContact CB-CG 3.91Å; F188-L197 HydrophobicContact CG-CD1 4.41Å; V195-L197 PolarHBondContact O-N 3.37Å; L197-R207 WeakPolarHBondContact CD2-O 3.25Å; L197-P209 HydrophobicContact CD2-CG 3.81Å |
| 198 | K | 90.9 | Very high | 87.6 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.2 | 179.3 | -63.9 | -179.4 | -179.3 | -179.6 | 0 | 110.2 | R207 | K198-R207 WeakPolarHBondContact O-CB 3.43Å; K198-R207 WeakPolarHBondContact O-CG 3.49Å; K198-R207 PolarHBondContact O-N 2.9Å |
| 199 | Y | 92.6 | Very high | 88.1 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 140.8 | 172.2 | -173.8 | -114.8 | 0 | 0 | 0 | 112.1 | I164 E165 I168 R184 Y201 K204 I205 F206 | I164-Y199 HydrophobicContact CG2-CD2 4.15Å; I164-Y199 HydrophobicContact CG2-CE2 3.55Å; E165-Y199 WeakPolarHBondContact CG-OH 3.37Å; E165-Y199 PolarHBondContact OE1-OH 3.14Å; I168-Y199 HydrophobicContact CD1-CD1 4.37Å; I168-Y199 HydrophobicContact CD1-CD2 3.94Å; I168-Y199 HydrophobicContact CD1-CE1 4.4Å; I168-Y199 HydrophobicContact CD1-CE2 4.04Å; I168-Y199 HydrophobicContact CD1-CG 4.12Å; R184-Y199 HydrophobicContact CB-CG 4.44Å; R184-Y199 PolarHBondContact O-N 3.22Å; Y199-Y201 AromaticContact CD1-CD1 3.9Å; Y199-Y201 HydrophobicContact CD1-CD1 3.9Å; Y199-Y201 AromaticContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CG 4.3Å; Y199-Y201 AromaticContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CE1 4.07Å; Y199-Y201 HydrophobicContact CE1-CG 4.36Å; Y199-K204 WeakPolarHBondContact OH-CA 3.21Å; Y199-K204 VanDerWaalsContact OH-CD 3.23Å; Y199-K204 WeakPolarHBondContact OH-CD 3.26Å; Y199-I205 WeakPolarHBondContact CD2-O 3.4Å; Y199-F206 HydrophobicContact CD2-CD1 4.31Å; Y199-F206 HydrophobicContact CD2-CD2 4.36Å; Y199-F206 HydrophobicContact CD2-CE1 4.33Å; Y199-F206 HydrophobicContact CD2-CE2 4.4Å; Y199-F206 HydrophobicContact CD2-CG 4.33Å; Y199-F206 HydrophobicContact CD2-CZ 4.39Å |
| 200 | C | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 112.9 | 173.3 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | T202 C203 K204 I205 R207 | C200-T202 VanDerWaalsContact C-N 3.33Å; C200-T202 PolarHBondContact O-N 3.33Å; C200-C203 HydrophobicContact CB-CB 4.3Å; C200-K204 VanDerWaalsContact O-CA 3.27Å; C200-K204 WeakPolarHBondContact O-CA 3.47Å; C200-K204 PolarHBondContact O-N 3.5Å; C200-I205 HydrophobicContact CB-CG1 4.28Å; C200-I205 PolarHBondContact N-O 3.41Å; C200-R207 HydrophobicContact CB-CG 3.92Å; C200-R207 VanDerWaalsContact CB-NE 3.33Å; C200-R207 PolarHBondContact SG-NH2 3.46Å |
| 201 | Y | 92.4 | Very high | 89.5 | Confident | 140 Ų | 140 | 58.2 Ų | 58.2 | 55% | 0.549 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.8 | 179.2 | -63.1 | -80.5 | 0 | 0 | 0 | 114.1 | R184 Y199 K204 | R184-Y201 WeakPolarHBondContact CD-OH 3.25Å; Y199-Y201 AromaticContact CD1-CD1 3.9Å; Y199-Y201 HydrophobicContact CD1-CD1 3.9Å; Y199-Y201 AromaticContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CE1 3.88Å; Y199-Y201 HydrophobicContact CD1-CG 4.3Å; Y199-Y201 AromaticContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CD1 3.79Å; Y199-Y201 HydrophobicContact CE1-CE1 4.07Å; Y199-Y201 HydrophobicContact CE1-CG 4.36Å; Y201-K204 VanDerWaalsContact O-CD 3.25Å; Y201-K204 WeakPolarHBondContact O-CD 3.46Å; Y201-K204 WeakPolarHBondContact O-CE 3.43Å |
| 202 | T | 93.8 | Very high | 90.5 | Very high | 71 Ų | 71 | 53 Ų | 53 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -47.7 | -179.4 | -41.8 | 0 | 0 | 0 | 0 | 112.7 | C200 D218 | C200-T202 VanDerWaalsContact C-N 3.33Å; C200-T202 PolarHBondContact O-N 3.33Å; T202-D218 VanDerWaalsContact CG2-OD1 3.25Å; T202-D218 WeakPolarHBondContact CG2-OD1 3.39Å |
| 203 | C | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -6.7 | -177.4 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | R155 A156 C200 I205 H213 | R155-C203 WeakPolarHBondContact CA-O 3.41Å; R155-C203 HydrophobicContact CG-CB 4.17Å; A156-C203 PolarHBondContact N-O 3.36Å; C200-C203 HydrophobicContact CB-CB 4.3Å; C203-I205 VanDerWaalsContact C-N 3.25Å; C203-I205 HydrophobicContact CB-CD1 4.21Å; C203-I205 HydrophobicContact CB-CG1 3.88Å; C203-I205 PolarHBondContact O-N 3.01Å; C203-H213 PolarHBondContact SG-ND1 2.87Å |
| 204 | K | 94.2 | Very high | 92.3 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 33.9 | 179.3 | -56.9 | -68 | -173.1 | 168 | 0 | 114.7 | A156 A161 E165 Y199 C200 Y201 | A156-K204 HydrophobicContact CB-CB 4.04Å; A156-K204 WeakPolarHBondContact CB-O 3.4Å; A161-K204 HydrophobicContact CB-CB 3.69Å; A161-K204 HydrophobicContact CB-CG 4.16Å; E165-K204 VanDerWaalsContact OE1-CD 3.24Å; E165-K204 WeakPolarHBondContact OE1-CD 3.36Å; E165-K204 WeakPolarHBondContact OE1-CE 3.4Å; E165-K204 IonicContact OE1-NZ 2.76Å; E165-K204 PolarHBondContact OE1-NZ 3.06Å; E165-K204 IonicContact OE2-NZ 3.55Å; Y199-K204 WeakPolarHBondContact OH-CA 3.21Å; Y199-K204 VanDerWaalsContact OH-CD 3.23Å; Y199-K204 WeakPolarHBondContact OH-CD 3.26Å; C200-K204 VanDerWaalsContact O-CA 3.27Å; C200-K204 WeakPolarHBondContact O-CA 3.47Å; C200-K204 PolarHBondContact O-N 3.5Å; Y201-K204 VanDerWaalsContact O-CD 3.25Å; Y201-K204 WeakPolarHBondContact O-CD 3.46Å; Y201-K204 WeakPolarHBondContact O-CE 3.43Å |
| 205 | I | 93.3 | Very high | 93 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.5 | -179.8 | 57.8 | 172 | 0 | 0 | 0 | 111.4 | I153 A156 Y199 C200 C203 R207 C220 | I153-I205 HydrophobicContact CB-CD1 4.19Å; I153-I205 HydrophobicContact CG2-CD1 3.59Å; A156-I205 HydrophobicContact CB-CG2 3.82Å; Y199-I205 WeakPolarHBondContact CD2-O 3.4Å; C200-I205 HydrophobicContact CB-CG1 4.28Å; C200-I205 PolarHBondContact N-O 3.41Å; C203-I205 VanDerWaalsContact C-N 3.25Å; C203-I205 HydrophobicContact CB-CD1 4.21Å; C203-I205 HydrophobicContact CB-CG1 3.88Å; C203-I205 PolarHBondContact O-N 3.01Å; I205-R207 PolarHBondContact O-N 3.34Å; I205-C220 HydrophobicContact CD1-CB 4.04Å |
| 206 | F | 93.7 | Very high | 93.7 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118 | 157.1 | -75.8 | -77.3 | 0 | 0 | 0 | 109 | I164 I168 K186 Y199 P208 | I164-F206 HydrophobicContact CG2-CD2 3.96Å; I164-F206 HydrophobicContact CG2-CE2 3.66Å; I168-F206 HydrophobicContact CD1-CE2 4Å; I168-F206 HydrophobicContact CD1-CZ 3.68Å; I168-F206 HydrophobicContact CG1-CE2 4.15Å; I168-F206 HydrophobicContact CG1-CZ 3.7Å; K186-F206 HydrophobicContact CB-CD1 4.03Å; K186-F206 HydrophobicContact CB-CE1 4.09Å; K186-F206 HydrophobicContact CB-CG 4.45Å; K186-F206 HydrophobicContact CD-CD2 4.5Å; Y199-F206 HydrophobicContact CD2-CD1 4.31Å; Y199-F206 HydrophobicContact CD2-CD2 4.36Å; Y199-F206 HydrophobicContact CD2-CE1 4.33Å; Y199-F206 HydrophobicContact CD2-CE2 4.4Å; Y199-F206 HydrophobicContact CD2-CG 4.33Å; Y199-F206 HydrophobicContact CD2-CZ 4.39Å; F206-P208 WeakPolarHBondContact O-CD 3.25Å |
| 207 | R | 94.3 | Very high | 94.3 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 21% | 0.211 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 124.9 | -176.5 | -63.4 | 175 | -176.5 | 161.8 | 7.9 | 109 | L197 K198 C200 I205 A211 H213 | L197-R207 WeakPolarHBondContact CD2-O 3.25Å; K198-R207 WeakPolarHBondContact O-CB 3.43Å; K198-R207 WeakPolarHBondContact O-CG 3.49Å; K198-R207 PolarHBondContact O-N 2.9Å; C200-R207 HydrophobicContact CB-CG 3.92Å; C200-R207 VanDerWaalsContact CB-NE 3.33Å; C200-R207 PolarHBondContact SG-NH2 3.46Å; I205-R207 PolarHBondContact O-N 3.34Å; R207-A211 HydrophobicContact CB-CB 4.36Å; R207-H213 VanDerWaalsContact NH2-CB 3.29Å |
| 208 | P | 93.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.071 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 160.5 | 171.5 | -25.7 | 34.7 | 0 | 0 | 0 | 111.8 | W12 I153 F206 R210 A211 | W12-P208 HydrophobicContact CH2-CG 4.11Å; W12-P208 HydrophobicContact CZ2-CB 4.43Å; W12-P208 HydrophobicContact CZ2-CG 3.88Å; I153-P208 HydrophobicContact CD1-CG 3.9Å; F206-P208 WeakPolarHBondContact O-CD 3.25Å; P208-R210 PolarHBondContact O-N 2.86Å; P208-A211 HydrophobicContact CB-CB 4.34Å; P208-A211 VanDerWaalsContact O-CB 3.23Å; P208-A211 WeakPolarHBondContact O-CB 3.18Å; P208-A211 PolarHBondContact O-N 3.35Å |
| 209 | P | 92.3 | Very high | 95 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 16% | 0.156 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 138.7 | 175.6 | -22.3 | 30.3 | 0 | 0 | 0 | 111.6 | F188 I190 L197 A211 Y333 | F188-P209 HydrophobicContact CD1-CG 4.07Å; F188-P209 HydrophobicContact CE1-CG 4.45Å; I190-P209 HydrophobicContact CD1-CB 3.66Å; I190-P209 HydrophobicContact CD1-CG 3.62Å; L197-P209 HydrophobicContact CD2-CG 3.81Å; P209-A211 PolarHBondContact O-N 2.85Å; P209-Y333 VanDerWaalsContact CB-OH 3.27Å; P209-Y333 WeakPolarHBondContact CB-OH 3.47Å |
| 210 | R | 93.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 0.2 | -177.9 | -39 | 178 | 69.6 | 173.1 | 6.6 | 115.4 | P208 R223 F224 N312 E317 Y333 | P208-R210 PolarHBondContact O-N 2.86Å; R210-R223 WeakPolarHBondContact O-CA 3.22Å; R210-R223 PolarHBondContact O-N 3.13Å; R210-F224 PolarHBondContact O-N 3Å; R210-F224 VanDerWaalsContact O-N 3.08Å; R210-N312 PolarHBondContact NH1-OD1 2.94Å; R210-N312 PolarHBondContact NH2-O 3.02Å; R210-E317 WeakPolarHBondContact CD-OE1 3.44Å; R210-E317 WeakPolarHBondContact CG-OE1 3.46Å; R210-E317 IonicContact CZ-OE1 2.97Å; R210-E317 IonicContact CZ-OE2 2.79Å; R210-E317 IonicContact NE-OE1 3.59Å; R210-E317 PolarHBondContact NE-OE1 2.86Å; R210-E317 IonicContact NE-OE2 3.64Å; R210-E317 IonicContact NH2-OE1 2.64Å; R210-E317 IonicContact NH2-OE2 3.08Å; R210-E317 PolarHBondContact NH2-OE2 3.43Å; R210-Y333 HydrophobicContact CG-CD2 4.45Å; R210-Y333 HydrophobicContact CG-CE1 4.22Å; R210-Y333 HydrophobicContact CG-CE2 3.75Å |
| 211 | A | 96.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | trans | -80.7 | 145.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I153 R207 P208 P209 V221 | I153-A211 HydrophobicContact CD1-CB 3.72Å; R207-A211 HydrophobicContact CB-CB 4.36Å; P208-A211 HydrophobicContact CB-CB 4.34Å; P208-A211 VanDerWaalsContact O-CB 3.23Å; P208-A211 WeakPolarHBondContact O-CB 3.18Å; P208-A211 PolarHBondContact O-N 3.35Å; P209-A211 PolarHBondContact O-N 2.85Å; A211-V221 VanDerWaalsContact CA-O 3.23Å; A211-V221 WeakPolarHBondContact CA-O 3.28Å; A211-V221 WeakPolarHBondContact CB-O 3.21Å | ||
| 212 | S | 96.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 151 | 174.2 | -72.2 | 0 | 0 | 0 | 0 | 111 | C220 V221 | S212-C220 WeakPolarHBondContact O-CA 3.48Å; S212-V221 PolarHBondContact N-O 2.55Å; S212-V221 VanDerWaalsContact N-O 3.16Å; S212-V221 PolarHBondContact O-N 2.93Å |
| 213 | H | 97.5 | Very high | 95.7 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.6 | 173.7 | -177.9 | 85.9 | 0 | 0 | 0 | 109.4 | C203 R207 D218 | C203-H213 PolarHBondContact SG-ND1 2.87Å; R207-H213 VanDerWaalsContact NH2-CB 3.29Å; H213-D218 IonicContact CE1-OD1 3.08Å; H213-D218 IonicContact NE2-OD1 3.93Å |
| 214 | C | 97.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 117.8 | 169.4 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | I216 C217 D218 N219 F224 C234 | C214-I216 VanDerWaalsContact C-N 3.27Å; C214-I216 PolarHBondContact O-N 3.46Å; C214-C217 HydrophobicContact CB-CB 4.2Å; C214-C217 PolarHBondContact SG-N 2.99Å; C214-D218 WeakPolarHBondContact O-CA 3.06Å; C214-D218 PolarHBondContact O-N 2.87Å; C214-N219 PolarHBondContact N-O 3.36Å; C214-N219 PolarHBondContact O-N 3.23Å; C214-F224 HydrophobicContact CB-CE2 4Å; C214-F224 HydrophobicContact CB-CZ 4.47Å; C214-C234 VanDerWaalsContact CB-SG 3.57Å |
| 215 | S | 96.8 | Very high | 96 | Very high | 100 Ų | 100 | 34.5 Ų | 34.5 | 70% | 0.699 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.7 | 177.5 | 51 | 0 | 0 | 0 | 0 | 113.2 | ||
| 216 | I | 97.1 | Very high | 96.2 | Very high | 119 Ų | 119 | 35.6 Ų | 35.6 | 61% | 0.61 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -45.6 | 178.8 | -57.2 | 169.7 | 0 | 0 | 0 | 110.3 | C214 D218 H227 | C214-I216 VanDerWaalsContact C-N 3.27Å; C214-I216 PolarHBondContact O-N 3.46Å; I216-D218 VanDerWaalsContact C-N 3.33Å; I216-H227 HydrophobicContact CD1-CB 4.24Å |
| 217 | C | 96.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 25% | 0.25 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -5.5 | 177.5 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | C214 N219 H227 C234 | C214-C217 HydrophobicContact CB-CB 4.2Å; C214-C217 PolarHBondContact SG-N 2.99Å; C217-N219 PolarHBondContact O-N 2.91Å; C217-N219 PolarHBondContact O-ND2 2.87Å; C217-H227 PolarHBondContact SG-CE1 3.29Å; C217-H227 PolarHBondContact SG-ND1 3.32Å; C217-C234 PolarHBondContact SG-SG 3.19Å |
| 218 | D | 96.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 34 Ų | 34 | 35% | 0.353 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 38.6 | -176.6 | -167.5 | 33.9 | 0 | 0 | 0 | 114.7 | R155 T202 H213 C214 I216 | R155-D218 IonicContact CZ-OD2 3.61Å; R155-D218 VanDerWaalsContact NH2-CG 3.31Å; R155-D218 PolarHBondContact NH2-O 3.04Å; R155-D218 IonicContact NH2-OD1 3.6Å; R155-D218 IonicContact NH2-OD2 3.82Å; R155-D218 PolarHBondContact NH2-OD2 3.03Å; T202-D218 VanDerWaalsContact CG2-OD1 3.25Å; T202-D218 WeakPolarHBondContact CG2-OD1 3.39Å; H213-D218 IonicContact CE1-OD1 3.08Å; H213-D218 IonicContact NE2-OD1 3.93Å; C214-D218 WeakPolarHBondContact O-CA 3.06Å; C214-D218 PolarHBondContact O-N 2.87Å; I216-D218 VanDerWaalsContact C-N 3.33Å |
| 219 | N | 96 | Very high | 96.8 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.7 | -174.7 | -76.5 | -63.7 | 0 | 0 | 0 | 111.6 | V152 C214 C217 | V152-N219 HydrophobicContact CG1-CB 3.97Å; C214-N219 PolarHBondContact N-O 3.36Å; C214-N219 PolarHBondContact O-N 3.23Å; C217-N219 PolarHBondContact O-N 2.91Å; C217-N219 PolarHBondContact O-ND2 2.87Å |
| 220 | C | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 131.6 | 166.2 | -80.4 | 0 | 0 | 0 | 0 | 109.9 | V152 I153 I205 S212 | V152-C220 WeakPolarHBondContact CA-O 3.32Å; I153-C220 HydrophobicContact CB-CB 4.24Å; I153-C220 HydrophobicContact CD1-CB 4.31Å; I153-C220 PolarHBondContact N-O 2.94Å; I205-C220 HydrophobicContact CD1-CB 4.04Å; S212-C220 WeakPolarHBondContact O-CA 3.48Å |
| 221 | V | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.3 | 179.8 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | P150 G151 A211 S212 F224 C234 | P150-V221 HydrophobicContact CB-CG1 4Å; P150-V221 HydrophobicContact CG-CG1 4.25Å; P150-V221 HydrophobicContact CG-CG2 4.33Å; G151-V221 CarbonylContact O-C 3.59Å; G151-V221 WeakPolarHBondContact O-CA 3.34Å; A211-V221 VanDerWaalsContact CA-O 3.23Å; A211-V221 WeakPolarHBondContact CA-O 3.28Å; A211-V221 WeakPolarHBondContact CB-O 3.21Å; S212-V221 PolarHBondContact N-O 2.55Å; S212-V221 VanDerWaalsContact N-O 3.16Å; S212-V221 PolarHBondContact O-N 2.93Å; V221-F224 HydrophobicContact CB-CB 4.29Å; V221-F224 HydrophobicContact CB-CD2 3.98Å; V221-F224 HydrophobicContact CG1-CD2 4.35Å; V221-F224 HydrophobicContact CG2-CD2 4.48Å; V221-C234 HydrophobicContact CG2-CB 4.01Å |
| 222 | E | 96.6 | Very high | 97.2 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 138.1 | 176.4 | -162.7 | -173.6 | -178.2 | 0 | 0 | 111 | G151 I153 F224 K237 | G151-E222 PolarHBondContact O-N 2.87Å; I153-E222 HydrophobicContact CD1-CB 4.26Å; I153-E222 HydrophobicContact CG1-CB 4.29Å; E222-F224 PolarHBondContact O-N 3.33Å; E222-K237 HydrophobicContact CB-CB 4.36Å; E222-K237 HydrophobicContact CB-CD 4.45Å; E222-K237 HydrophobicContact CG-CD 3.92Å; E222-K237 WeakPolarHBondContact O-CB 3.28Å; E222-K237 PolarHBondContact O-N 3.01Å; E222-K237 IonicContact OE1-NZ 2.87Å; E222-K237 PolarHBondContact OE1-NZ 3.33Å; E222-K237 WeakPolarHBondContact OE2-CD 3.41Å; E222-K237 IonicContact OE2-NZ 3.84Å; E222-K237 PolarHBondContact OE2-NZ 2.57Å; E222-K237 VanDerWaalsContact OE2-NZ 3.08Å |
| 223 | R | 96 | Very high | 97.2 | Very high | 37 Ų | 37 | 50 Ų | 50 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 52.1 | -174.8 | -165.4 | -176.4 | 168.1 | 149.2 | 6.5 | 110.8 | R210 D225 G236 K237 N312 T314 | R210-R223 WeakPolarHBondContact O-CA 3.22Å; R210-R223 PolarHBondContact O-N 3.13Å; R223-D225 PolarHBondContact O-N 3.45Å; R223-G236 WeakPolarHBondContact O-CA 3.27Å; R223-K237 HydrophobicContact CB-CB 3.79Å; R223-K237 HydrophobicContact CB-CG 4.23Å; R223-N312 PolarHBondContact NH2-OD1 2.92Å; R223-T314 HydrophobicContact CG-CG2 3.8Å |
| 224 | F | 97.8 | Very high | 97.3 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | trans | -63.7 | 125.6 | -174.7 | 173.1 | -99.7 | 0 | 0 | 0 | 110.2 | R210 C214 V221 E222 C234 N316 | R210-F224 PolarHBondContact O-N 3Å; R210-F224 VanDerWaalsContact O-N 3.08Å; C214-F224 HydrophobicContact CB-CE2 4Å; C214-F224 HydrophobicContact CB-CZ 4.47Å; V221-F224 HydrophobicContact CB-CB 4.29Å; V221-F224 HydrophobicContact CB-CD2 3.98Å; V221-F224 HydrophobicContact CG1-CD2 4.35Å; V221-F224 HydrophobicContact CG2-CD2 4.48Å; E222-F224 PolarHBondContact O-N 3.33Å; F224-C234 HydrophobicContact CE2-CB 4.46Å; F224-N316 HydrophobicContact CD1-CB 4.02Å; F224-N316 HydrophobicContact CE1-CB 4.36Å | ||
| 225 | D | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | trans | -97.3 | -63.6 | 176.6 | -162.4 | 78.1 | 0 | 0 | 0 | 110.7 | R223 V235 Y240 H305 T314 T315 N316 | R223-D225 PolarHBondContact O-N 3.45Å; D225-V235 HydrophobicContact CB-CB 4.38Å; D225-V235 HydrophobicContact CB-CG1 4.28Å; D225-V235 WeakPolarHBondContact CB-O 3.36Å; D225-V235 PolarHBondContact N-O 2.83Å; D225-Y240 HydrophobicContact CB-CD2 4.2Å; D225-Y240 HydrophobicContact CB-CE2 4.33Å; D225-H305 IonicContact OD2-CE1 2.89Å; D225-H305 PolarHBondContact OD2-CE1 2.91Å; D225-T314 WeakPolarHBondContact OD1-CA 3.45Å; D225-T314 VanDerWaalsContact OD1-CB 3.28Å; D225-T314 WeakPolarHBondContact OD1-CB 3.42Å; D225-T315 PolarHBondContact OD1-N 2.95Å; D225-T315 PolarHBondContact OD1-OG1 3.39Å; D225-T315 VanDerWaalsContact OD2-CB 3.32Å; D225-T315 WeakPolarHBondContact OD2-CB 3.43Å; D225-T315 PolarHBondContact OD2-OG1 3.28Å; D225-N316 VanDerWaalsContact O-CB 3.28Å; D225-N316 WeakPolarHBondContact O-CB 3.29Å; D225-N316 PolarHBondContact O-N 2.73Å | ||
| 226 | H | 98.2 | Very high | 97.3 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 20% | 0.199 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 168.3 | 175.4 | 62.3 | -78.6 | 0 | 0 | 0 | 111.1 | C228 V235 F243 | H226-C228 WeakPolarHBondContact NE2-CB 3.4Å; H226-V235 PolarHBondContact N-O 2.74Å; H226-V235 PolarHBondContact O-N 3.4Å; H226-F243 AromaticContact CE1-CE1 3.83Å; H226-F243 AromaticContact CE1-CZ 3.62Å; H226-F243 AromaticContact NE2-CZ 3.85Å |
| 227 | H | 98.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 41.1 Ų | 41.1 | 19% | 0.194 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.1 | 162.2 | -178.6 | 91.5 | 0 | 0 | 0 | 108.5 | I216 C217 | I216-H227 HydrophobicContact CD1-CB 4.24Å; C217-H227 PolarHBondContact SG-CE1 3.29Å; C217-H227 PolarHBondContact SG-ND1 3.32Å |
| 228 | C | 97.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.5 | -177.4 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | H226 W230 V231 G232 N233 V235 | H226-C228 WeakPolarHBondContact NE2-CB 3.4Å; C228-W230 PolarHBondContact O-N 2.88Å; C228-V231 HydrophobicContact CB-CG2 3.59Å; C228-V231 WeakPolarHBondContact O-CG2 3.24Å; C228-V231 PolarHBondContact O-N 2.79Å; C228-G232 PolarHBondContact O-N 3.2Å; C228-N233 PolarHBondContact N-O 3.04Å; C228-N233 VanDerWaalsContact N-O 3.08Å; C228-N233 PolarHBondContact O-N 3.28Å; C228-V235 HydrophobicContact CB-CG2 4.06Å |
| 229 | P | 96.8 | Very high | 97.3 | Very high | 103 Ų | 103 | 38 Ų | 38 | 67% | 0.669 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.9 | 178.1 | -24.1 | 34.7 | 0 | 0 | 0 | 112.9 | G232 | P229-G232 PolarHBondContact O-N 3.08Š|
| 230 | W | 95.1 | Very high | 97.4 | Very high | 231 Ų | 231 | 36.5 Ų | 36.5 | 88% | 0.875 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -35.7 | -177.3 | -53.1 | 107.9 | 0 | 0 | 0 | 113.3 | C228 | C228-W230 PolarHBondContact O-N 2.88Š|
| 231 | V | 96.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -12.3 | 175.5 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | L142 T145 S146 C228 N233 | L142-V231 HydrophobicContact CD1-CG1 4.02Å; T145-V231 HydrophobicContact CG2-CB 4.29Å; T145-V231 HydrophobicContact CG2-CG1 4.06Å; T145-V231 HydrophobicContact CG2-CG2 4.36Å; S146-V231 VanDerWaalsContact CB-O 3.28Å; S146-V231 WeakPolarHBondContact CB-O 3.23Å; S146-V231 PolarHBondContact OG-O 3.01Å; C228-V231 HydrophobicContact CB-CG2 3.59Å; C228-V231 WeakPolarHBondContact O-CG2 3.24Å; C228-V231 PolarHBondContact O-N 2.79Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 HydrophobicContact CG2-CB 4.11Å; V231-N233 WeakPolarHBondContact CG2-O 3.43Å; V231-N233 PolarHBondContact O-N 3.31Å |
| 232 | G | 97.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 61% | 0.608 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 23.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C228 P229 | C228-G232 PolarHBondContact O-N 3.2Å; P229-G232 PolarHBondContact O-N 3.08Å |
| 233 | N | 97.9 | Very high | 97.4 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 162.3 | -174.1 | -164.5 | 1.5 | 0 | 0 | 0 | 110.9 | S146 S148 C228 V231 | S146-N233 PolarHBondContact O-ND2 3.18Å; S148-N233 PolarHBondContact O-ND2 3.35Å; C228-N233 PolarHBondContact N-O 3.04Å; C228-N233 VanDerWaalsContact N-O 3.08Å; C228-N233 PolarHBondContact O-N 3.28Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 HydrophobicContact CG2-CB 4.11Å; V231-N233 WeakPolarHBondContact CG2-O 3.43Å; V231-N233 PolarHBondContact O-N 3.31Å |
| 234 | C | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 147.5 | 165.2 | -75.8 | 0 | 0 | 0 | 0 | 110.9 | P150 C214 C217 V221 F224 N239 | P150-C234 HydrophobicContact CB-CB 4.07Å; P150-C234 WeakPolarHBondContact CB-O 3.31Å; P150-C234 HydrophobicContact CG-CB 4.05Å; C214-C234 VanDerWaalsContact CB-SG 3.57Å; C217-C234 PolarHBondContact SG-SG 3.19Å; V221-C234 HydrophobicContact CG2-CB 4.01Å; F224-C234 HydrophobicContact CE2-CB 4.46Å; C234-N239 PolarHBondContact O-ND2 3.12Å |
| 235 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.6 | 165.9 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | D225 H226 C228 N239 Y240 F243 | D225-V235 HydrophobicContact CB-CB 4.38Å; D225-V235 HydrophobicContact CB-CG1 4.28Å; D225-V235 WeakPolarHBondContact CB-O 3.36Å; D225-V235 PolarHBondContact N-O 2.83Å; H226-V235 PolarHBondContact N-O 2.74Å; H226-V235 PolarHBondContact O-N 3.4Å; C228-V235 HydrophobicContact CB-CG2 4.06Å; V235-N239 WeakPolarHBondContact CA-OD1 3.28Å; V235-Y240 HydrophobicContact CG1-CD2 3.8Å; V235-Y240 HydrophobicContact CG1-CG 4.49Å; V235-F243 HydrophobicContact CG1-CB 3.84Å; V235-F243 HydrophobicContact CG1-CD1 3.9Å; V235-F243 HydrophobicContact CG1-CG 3.82Å; V235-F243 HydrophobicContact CG2-CB 4.37Å; V235-F243 HydrophobicContact CG2-CD2 3.85Å; V235-F243 HydrophobicContact CG2-CE2 4.3Å; V235-F243 HydrophobicContact CG2-CG 3.99Å |
| 236 | G | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | -152.2 | -166.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P150 R223 R238 N239 Y240 | P150-G236 CarbonylContact O-C 3.43Å; P150-G236 WeakPolarHBondContact O-CA 3.35Å; R223-G236 WeakPolarHBondContact O-CA 3.27Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 2.92Å; G236-N239 PolarHBondContact N-OD1 3.4Å; G236-N239 PolarHBondContact O-N 3Å; G236-N239 PolarHBondContact O-OD1 3.49Å; G236-Y240 VanDerWaalsContact O-CB 3.24Å; G236-Y240 WeakPolarHBondContact O-CB 3.24Å; G236-Y240 PolarHBondContact O-N 2.82Å | ||
| 237 | K | 96.4 | Very high | 97.6 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -43 | -171.2 | -165.4 | 179.9 | -177.4 | -177.2 | 0 | 114.5 | P150 E222 R223 P351 | P150-K237 PolarHBondContact O-N 2.96Å; P150-K237 VanDerWaalsContact O-N 3.1Å; E222-K237 HydrophobicContact CB-CB 4.36Å; E222-K237 HydrophobicContact CB-CD 4.45Å; E222-K237 HydrophobicContact CG-CD 3.92Å; E222-K237 WeakPolarHBondContact O-CB 3.28Å; E222-K237 PolarHBondContact O-N 3.01Å; E222-K237 IonicContact OE1-NZ 2.87Å; E222-K237 PolarHBondContact OE1-NZ 3.33Å; E222-K237 WeakPolarHBondContact OE2-CD 3.41Å; E222-K237 IonicContact OE2-NZ 3.84Å; E222-K237 PolarHBondContact OE2-NZ 2.57Å; E222-K237 VanDerWaalsContact OE2-NZ 3.08Å; R223-K237 HydrophobicContact CB-CB 3.79Å; R223-K237 HydrophobicContact CB-CG 4.23Å; K237-P351 HydrophobicContact CD-CG 4.15Å; K237-P351 HydrophobicContact CG-CG 4.49Å |
| 238 | R | 96.4 | Very high | 97.6 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 14% | 0.143 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -20.8 | -168.3 | -68.7 | 176.8 | 57.1 | 64.1 | 10.4 | 114.1 | D149 P150 G236 L350 P351 P352 S353 | D149-R238 WeakPolarHBondContact O-CB 3.36Å; D149-R238 VanDerWaalsContact OD2-CD 3.24Å; D149-R238 WeakPolarHBondContact OD2-CD 3.41Å; D149-R238 IonicContact OD2-CZ 3.02Å; D149-R238 IonicContact OD2-NE 3.79Å; D149-R238 PolarHBondContact OD2-NE 2.86Å; P150-R238 PolarHBondContact O-N 2.9Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 2.92Å; R238-L350 HydrophobicContact CB-CD1 4.25Å; R238-L350 WeakPolarHBondContact O-CD1 3.46Å; R238-P351 HydrophobicContact CG-CG 4.28Å; R238-P351 PolarHBondContact NH1-O 2.98Å; R238-P352 PolarHBondContact NH1-O 2.79Å; R238-S353 VanDerWaalsContact NH1-N 3.13Å |
| 239 | N | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -6.6 | -178.5 | 70 | -14.8 | 0 | 0 | 0 | 114.4 | T145 C234 V235 G236 R241 Y242 F243 | T145-N239 PolarHBondContact O-ND2 3.4Å; C234-N239 PolarHBondContact O-ND2 3.12Å; V235-N239 WeakPolarHBondContact CA-OD1 3.28Å; G236-N239 PolarHBondContact N-OD1 3.4Å; G236-N239 PolarHBondContact O-N 3Å; G236-N239 PolarHBondContact O-OD1 3.49Å; N239-R241 VanDerWaalsContact C-N 3.28Å; N239-R241 PolarHBondContact O-N 3.11Å; N239-Y242 HydrophobicContact CB-CD2 4.37Å; N239-Y242 PolarHBondContact O-N 2.95Å; N239-F243 PolarHBondContact O-N 2.73Å; N239-F243 VanDerWaalsContact O-N 3.08Å |
| 240 | Y | 97.9 | Very high | 97.6 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.3 | -42.1 | 179.5 | -172.6 | -88.2 | 0 | 0 | 0 | 113.5 | D225 V235 G236 Y242 F243 Y244 H305 V309 V345 | D225-Y240 HydrophobicContact CB-CD2 4.2Å; D225-Y240 HydrophobicContact CB-CE2 4.33Å; V235-Y240 HydrophobicContact CG1-CD2 3.8Å; V235-Y240 HydrophobicContact CG1-CG 4.49Å; G236-Y240 VanDerWaalsContact O-CB 3.24Å; G236-Y240 WeakPolarHBondContact O-CB 3.24Å; G236-Y240 PolarHBondContact O-N 2.82Å; Y240-Y242 VanDerWaalsContact C-N 3.28Å; Y240-Y242 PolarHBondContact O-N 3.42Å; Y240-F243 WeakPolarHBondContact O-CB 3.34Å; Y240-F243 PolarHBondContact O-N 3.26Å; Y240-Y244 PolarHBondContact O-N 3.32Å; Y240-H305 AromaticContact CE2-ND1 3.9Å; Y240-H305 AromaticContact CZ-ND1 3.87Å; Y240-H305 PolarHBondContact OH-ND1 3.23Å; Y240-H305 VanDerWaalsContact OH-ND1 3.08Å; Y240-V309 HydrophobicContact CE1-CG2 3.62Å; Y240-V309 WeakPolarHBondContact OH-CG2 3.37Å; Y240-V345 HydrophobicContact CD1-CG1 3.71Å; Y240-V345 HydrophobicContact CE1-CG1 3.71Å |
| 241 | R | 96.8 | Very high | 97.8 | Very high | 46 Ų | 46 | 25.9 Ų | 25.9 | 17% | 0.174 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 178.6 | 75.5 | -178.8 | 72.1 | -163.1 | -4.9 | 112.6 | N239 L245 G348 | N239-R241 VanDerWaalsContact C-N 3.28Å; N239-R241 PolarHBondContact O-N 3.11Å; R241-L245 VanDerWaalsContact O-CG 3.27Å; R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 3.42Å; R241-G348 VanDerWaalsContact CZ-O 3.27Å; R241-G348 PolarHBondContact NH1-O 3.32Å; R241-G348 PolarHBondContact NH2-O 3.4Å |
| 242 | Y | 97.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 29.7 Ų | 29.7 | 14% | 0.141 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.1 | -37.7 | 179.4 | -53 | -59 | 0 | 0 | 0 | 110.5 | R144 T145 N239 Y240 L245 F246 | R144-Y242 HydrophobicContact CB-CD1 4.26Å; R144-Y242 HydrophobicContact CB-CD2 4.42Å; R144-Y242 HydrophobicContact CB-CG 4.04Å; R144-Y242 PolarHBondContact NH2-OH 3.16Å; T145-Y242 VanDerWaalsContact OG1-CB 3.29Å; T145-Y242 WeakPolarHBondContact OG1-CB 3.15Å; T145-Y242 PolarHBondContact OG1-O 3.41Å; N239-Y242 HydrophobicContact CB-CD2 4.37Å; N239-Y242 PolarHBondContact O-N 2.95Å; Y240-Y242 VanDerWaalsContact C-N 3.28Å; Y240-Y242 PolarHBondContact O-N 3.42Å; Y242-L245 PolarHBondContact O-N 3.36Å; Y242-F246 VanDerWaalsContact O-CB 3.27Å; Y242-F246 WeakPolarHBondContact O-CB 3.3Å; Y242-F246 PolarHBondContact O-N 2.96Å |
| 243 | F | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 173.7 | 172.5 | -100.8 | 0 | 0 | 0 | 111.2 | T145 H226 V235 N239 Y240 F246 I247 H305 | T145-F243 HydrophobicContact CG2-CB 3.72Å; T145-F243 HydrophobicContact CG2-CD2 4.27Å; T145-F243 HydrophobicContact CG2-CG 4.49Å; T145-F243 WeakPolarHBondContact OG1-CA 3.45Å; T145-F243 PolarHBondContact OG1-N 3.24Å; H226-F243 AromaticContact CE1-CE1 3.83Å; H226-F243 AromaticContact CE1-CZ 3.62Å; H226-F243 AromaticContact NE2-CZ 3.85Å; V235-F243 HydrophobicContact CG1-CB 3.84Å; V235-F243 HydrophobicContact CG1-CD1 3.9Å; V235-F243 HydrophobicContact CG1-CG 3.82Å; V235-F243 HydrophobicContact CG2-CB 4.37Å; V235-F243 HydrophobicContact CG2-CD2 3.85Å; V235-F243 HydrophobicContact CG2-CE2 4.3Å; V235-F243 HydrophobicContact CG2-CG 3.99Å; N239-F243 PolarHBondContact O-N 2.73Å; N239-F243 VanDerWaalsContact O-N 3.08Å; Y240-F243 WeakPolarHBondContact O-CB 3.34Å; Y240-F243 PolarHBondContact O-N 3.26Å; F243-F246 WeakPolarHBondContact O-CB 3.4Å; F243-F246 PolarHBondContact O-N 3.38Å; F243-I247 HydrophobicContact CD2-CG2 4.45Å; F243-I247 HydrophobicContact CE1-CD1 3.94Å; F243-I247 HydrophobicContact CE1-CG2 4.36Å; F243-I247 HydrophobicContact CE2-CG2 3.93Å; F243-I247 HydrophobicContact CZ-CD1 4.35Å; F243-I247 HydrophobicContact CZ-CG2 3.88Å; F243-I247 PolarHBondContact O-N 3.48Å; F243-H305 AromaticContact CE1-CD2 3.85Å; F243-H305 AromaticContact CE1-CE1 3.62Å; F243-H305 AromaticContact CE1-ND1 3.96Å; F243-H305 AromaticContact CE1-NE2 3.52Å; F243-H305 AromaticContact CZ-NE2 3.9Å |
| 244 | Y | 98.4 | Very high | 97.7 | Very high | 24 Ų | 24 | 27.6 Ų | 27.6 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 177.2 | -177.1 | -98.9 | 0 | 0 | 0 | 112.2 | Y240 F246 I247 L248 H305 T306 V309 L346 | Y240-Y244 PolarHBondContact O-N 3.32Å; Y244-F246 VanDerWaalsContact C-N 3.28Å; Y244-F246 PolarHBondContact O-N 3.12Å; Y244-I247 HydrophobicContact CD2-CD1 4.38Å; Y244-I247 VanDerWaalsContact O-CG1 3.25Å; Y244-I247 WeakPolarHBondContact O-CG1 3.29Å; Y244-I247 PolarHBondContact O-N 3.01Å; Y244-L248 HydrophobicContact CE1-CD2 4.15Å; Y244-L248 VanDerWaalsContact O-CB 3.26Å; Y244-L248 WeakPolarHBondContact O-CB 3.4Å; Y244-L248 PolarHBondContact O-N 3.06Å; Y244-H305 HydrophobicContact CD2-CB 4.16Å; Y244-H305 HydrophobicContact CE2-CB 4.38Å; Y244-T306 WeakPolarHBondContact CE2-OG1 3.16Å; Y244-T306 PolarHBondContact OH-OG1 3.31Å; Y244-V309 HydrophobicContact CD2-CG2 4.41Å; Y244-L346 HydrophobicContact CD1-CD1 3.86Å; Y244-L346 HydrophobicContact CD1-CD2 3.48Å; Y244-L346 VanDerWaalsContact CD1-CD2 3.48Å; Y244-L346 HydrophobicContact CD1-CG 4.34Å; Y244-L346 HydrophobicContact CE1-CD1 3.62Å; Y244-L346 HydrophobicContact CE1-CD2 4.11Å; Y244-L346 HydrophobicContact CG-CD2 3.77Å |
| 245 | L | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 31.3 Ų | 31.3 | 35% | 0.351 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.1 | -34 | 175.8 | -70 | 173 | 0 | 0 | 0 | 112.3 | F137 T141 R241 Y242 S249 | F137-L245 HydrophobicContact CE1-CB 4.49Å; F137-L245 HydrophobicContact CZ-CB 4.43Å; T141-L245 HydrophobicContact CG2-CB 3.88Å; R241-L245 VanDerWaalsContact O-CG 3.27Å; R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 3.42Å; Y242-L245 PolarHBondContact O-N 3.36Å; L245-S249 VanDerWaalsContact O-CB 3.25Å; L245-S249 WeakPolarHBondContact O-CB 3.12Å; L245-S249 PolarHBondContact O-N 3.28Å; L245-S249 PolarHBondContact O-OG 3.48Å |
| 246 | F | 98.5 | Very high | 97.6 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 11% | 0.114 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -54.4 | 174.7 | 163 | -117 | 0 | 0 | 0 | 111.4 | T141 L142 Y242 F243 Y244 L248 S249 L250 | T141-F246 VanDerWaalsContact OG1-CA 3.3Å; T141-F246 WeakPolarHBondContact OG1-CA 3.38Å; L142-F246 HydrophobicContact CB-CD2 3.7Å; L142-F246 HydrophobicContact CB-CE2 3.8Å; L142-F246 HydrophobicContact CB-CG 4.28Å; L142-F246 HydrophobicContact CB-CZ 4.44Å; L142-F246 HydrophobicContact CD1-CD1 4.43Å; L142-F246 HydrophobicContact CD1-CD2 4.47Å; L142-F246 HydrophobicContact CD1-CE1 4.03Å; L142-F246 HydrophobicContact CD1-CE2 4.09Å; L142-F246 HydrophobicContact CD1-CZ 3.85Å; L142-F246 HydrophobicContact CD2-CE2 4.34Å; L142-F246 HydrophobicContact CG-CE2 4.29Å; Y242-F246 VanDerWaalsContact O-CB 3.27Å; Y242-F246 WeakPolarHBondContact O-CB 3.3Å; Y242-F246 PolarHBondContact O-N 2.96Å; F243-F246 WeakPolarHBondContact O-CB 3.4Å; F243-F246 PolarHBondContact O-N 3.38Å; Y244-F246 VanDerWaalsContact C-N 3.28Å; Y244-F246 PolarHBondContact O-N 3.12Å; F246-L248 VanDerWaalsContact C-N 3.32Å; F246-L248 PolarHBondContact O-N 2.87Å; F246-S249 PolarHBondContact O-N 3.48Å; F246-S249 PolarHBondContact O-OG 3.36Å; F246-S249 VanDerWaalsContact O-OG 3.08Å; F246-L250 HydrophobicContact CE2-CB 4.38Å; F246-L250 HydrophobicContact CE2-CD2 4.09Å; F246-L250 HydrophobicContact CZ-CD2 3.85Å; F246-L250 WeakPolarHBondContact O-CB 3.42Å; F246-L250 PolarHBondContact O-N 3.15Å |
| 247 | I | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | -179.7 | 64.4 | 179.8 | 0 | 0 | 0 | 111.6 | F243 Y244 L250 S251 L301 T302 H305 | F243-I247 HydrophobicContact CD2-CG2 4.45Å; F243-I247 HydrophobicContact CE1-CD1 3.94Å; F243-I247 HydrophobicContact CE1-CG2 4.36Å; F243-I247 HydrophobicContact CE2-CG2 3.93Å; F243-I247 HydrophobicContact CZ-CD1 4.35Å; F243-I247 HydrophobicContact CZ-CG2 3.88Å; F243-I247 PolarHBondContact O-N 3.48Å; Y244-I247 HydrophobicContact CD2-CD1 4.38Å; Y244-I247 VanDerWaalsContact O-CG1 3.25Å; Y244-I247 WeakPolarHBondContact O-CG1 3.29Å; Y244-I247 PolarHBondContact O-N 3.01Å; I247-L250 PolarHBondContact O-N 3.44Å; I247-S251 PolarHBondContact O-N 2.85Å; I247-S251 PolarHBondContact O-OG 2.77Å; I247-L301 HydrophobicContact CD1-CG 4.46Å; I247-L301 HydrophobicContact CG2-CD2 4.09Å; I247-T302 VanDerWaalsContact C-OG1 3.3Å; I247-T302 PolarHBondContact O-OG1 3.32Å; I247-T302 VanDerWaalsContact O-OG1 3.11Å; I247-H305 HydrophobicContact CD1-CB 3.78Å |
| 248 | L | 98.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 34 Ų | 34 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.4 | -50.1 | 177.1 | 178.7 | 63.2 | 0 | 0 | 0 | 111.7 | Y244 F246 L250 S251 L252 T302 | Y244-L248 HydrophobicContact CE1-CD2 4.15Å; Y244-L248 VanDerWaalsContact O-CB 3.26Å; Y244-L248 WeakPolarHBondContact O-CB 3.4Å; Y244-L248 PolarHBondContact O-N 3.06Å; F246-L248 VanDerWaalsContact C-N 3.32Å; F246-L248 PolarHBondContact O-N 2.87Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 2.82Å; L248-S251 WeakPolarHBondContact O-CB 3.25Å; L248-S251 PolarHBondContact O-N 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.49Å; L248-T302 HydrophobicContact CB-CG2 4.28Å; L248-T302 HydrophobicContact CD1-CG2 3.86Å |
| 249 | S | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.1 | -33.5 | 178.3 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | F137 S138 L245 F246 L252 L253 | F137-S249 VanDerWaalsContact CD1-CB 3.43Å; S138-S249 WeakPolarHBondContact CA-OG 3.3Å; L245-S249 VanDerWaalsContact O-CB 3.25Å; L245-S249 WeakPolarHBondContact O-CB 3.12Å; L245-S249 PolarHBondContact O-N 3.28Å; L245-S249 PolarHBondContact O-OG 3.48Å; F246-S249 PolarHBondContact O-N 3.48Å; F246-S249 PolarHBondContact O-OG 3.36Å; F246-S249 VanDerWaalsContact O-OG 3.08Å; S249-L252 PolarHBondContact O-N 2.97Å; S249-L253 WeakPolarHBondContact O-CB 3.4Å; S249-L253 PolarHBondContact O-N 3.03Å |
| 250 | L | 97.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 36.8 Ų | 36.8 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.3 | -43 | 172.5 | -174.1 | 64.5 | 0 | 0 | 0 | 111.1 | F246 I247 L248 L252 L253 T254 V298 | F246-L250 HydrophobicContact CE2-CB 4.38Å; F246-L250 HydrophobicContact CE2-CD2 4.09Å; F246-L250 HydrophobicContact CZ-CD2 3.85Å; F246-L250 WeakPolarHBondContact O-CB 3.42Å; F246-L250 PolarHBondContact O-N 3.15Å; I247-L250 PolarHBondContact O-N 3.44Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 2.82Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 2.77Å; L250-L253 PolarHBondContact O-N 3.09Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 3.33Å; L250-T254 PolarHBondContact O-OG1 2.89Å; L250-V298 HydrophobicContact CB-CG1 4.26Å; L250-V298 HydrophobicContact CD2-CG1 3.99Å; L250-V298 HydrophobicContact CD2-CG2 4.34Å; L250-V298 HydrophobicContact CG-CG1 3.94Å |
| 251 | S | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.9 | -48.4 | 172.6 | -63 | 0 | 0 | 0 | 0 | 111.3 | I247 L248 L253 T254 I255 V298 T302 | I247-S251 PolarHBondContact O-N 2.85Å; I247-S251 PolarHBondContact O-OG 2.77Å; L248-S251 WeakPolarHBondContact O-CB 3.25Å; L248-S251 PolarHBondContact O-N 3.42Å; S251-L253 PolarHBondContact O-N 3.22Å; S251-T254 PolarHBondContact O-N 2.97Å; S251-I255 WeakPolarHBondContact O-CB 3.46Å; S251-I255 WeakPolarHBondContact O-CD1 3.42Å; S251-I255 VanDerWaalsContact O-CG1 3.25Å; S251-I255 WeakPolarHBondContact O-CG1 3.32Å; S251-I255 PolarHBondContact O-N 3.43Å; S251-V298 PolarHBondContact OG-O 3.01Å; S251-T302 WeakPolarHBondContact OG-CB 3.38Å; S251-T302 PolarHBondContact OG-OG1 2.84Å |
| 252 | L | 97.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 38 Ų | 38 | 46% | 0.461 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 179.2 | -67.9 | 174.3 | 0 | 0 | 0 | 111.8 | L248 S249 L250 I255 Y256 | L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.49Å; S249-L252 PolarHBondContact O-N 2.97Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 2.77Å; L252-I255 PolarHBondContact O-N 2.76Å; L252-Y256 WeakPolarHBondContact O-CB 3.12Å; L252-Y256 PolarHBondContact O-N 3.44Å |
| 253 | L | 96.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.5 | 179.5 | 62.9 | 0 | 0 | 0 | 111.7 | L134 F135 S249 L250 S251 Y256 V257 | L134-L253 HydrophobicContact CB-CB 4.33Å; L134-L253 HydrophobicContact CB-CD1 3.94Å; F135-L253 HydrophobicContact CB-CD2 4.14Å; F135-L253 HydrophobicContact CD2-CD2 4.2Å; S249-L253 WeakPolarHBondContact O-CB 3.4Å; S249-L253 PolarHBondContact O-N 3.03Å; L250-L253 PolarHBondContact O-N 3.09Å; S251-L253 PolarHBondContact O-N 3.22Å; L253-Y256 WeakPolarHBondContact O-CB 3.25Å; L253-Y256 PolarHBondContact O-N 2.91Å; L253-V257 HydrophobicContact CD1-CG2 4.06Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CB 3.42Å; L253-V257 WeakPolarHBondContact O-CG2 3.28Å; L253-V257 PolarHBondContact O-N 3.19Å |
| 254 | T | 96.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 179.2 | -59 | 0 | 0 | 0 | 0 | 111.6 | L250 S251 Y256 F258 L295 | L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 3.33Å; L250-T254 PolarHBondContact O-OG1 2.89Å; S251-T254 PolarHBondContact O-N 2.97Å; T254-Y256 VanDerWaalsContact C-N 3.32Å; T254-Y256 PolarHBondContact O-N 3.19Å; T254-F258 WeakPolarHBondContact O-CB 3.42Å; T254-F258 PolarHBondContact O-N 3.21Å; T254-L295 HydrophobicContact CG2-CB 4.39Å; T254-L295 HydrophobicContact CG2-CD1 4.15Å |
| 255 | I | 97.2 | Very high | 95.9 | Very high | 78 Ų | 78 | 39 Ų | 39 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 173.7 | -69.6 | 160.9 | 0 | 0 | 0 | 110.2 | S251 L252 F258 A259 L295 V299 | S251-I255 WeakPolarHBondContact O-CB 3.46Å; S251-I255 WeakPolarHBondContact O-CD1 3.42Å; S251-I255 VanDerWaalsContact O-CG1 3.25Å; S251-I255 WeakPolarHBondContact O-CG1 3.32Å; S251-I255 PolarHBondContact O-N 3.43Å; L252-I255 PolarHBondContact O-N 2.76Å; I255-F258 PolarHBondContact O-N 2.69Å; I255-A259 WeakPolarHBondContact O-CB 3.44Å; I255-A259 PolarHBondContact O-N 3.27Å; I255-L295 HydrophobicContact CB-CD1 4.37Å; I255-L295 HydrophobicContact CG1-CD1 3.48Å; I255-L295 VanDerWaalsContact CG1-CD1 3.48Å; I255-V299 HydrophobicContact CD1-CG2 4.08Å; I255-V299 HydrophobicContact CG1-CG2 4.3Å |
| 256 | Y | 96.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -52.7 | -179.3 | -171.9 | -86.1 | 0 | 0 | 0 | 111.6 | I127 F130 A131 L134 L252 L253 T254 F258 A259 F260 | I127-Y256 WeakPolarHBondContact CA-OH 3.42Å; I127-Y256 HydrophobicContact CG2-CE1 4.22Å; I127-Y256 WeakPolarHBondContact CG2-OH 3.39Å; I127-Y256 PolarHBondContact O-OH 3.19Å; F130-Y256 HydrophobicContact CB-CE2 4.35Å; A131-Y256 HydrophobicContact CB-CD1 4.17Å; A131-Y256 HydrophobicContact CB-CE1 3.85Å; L134-Y256 HydrophobicContact CD1-CD2 4.46Å; L134-Y256 HydrophobicContact CD1-CG 4.39Å; L252-Y256 WeakPolarHBondContact O-CB 3.12Å; L252-Y256 PolarHBondContact O-N 3.44Å; L253-Y256 WeakPolarHBondContact O-CB 3.25Å; L253-Y256 PolarHBondContact O-N 2.91Å; T254-Y256 VanDerWaalsContact C-N 3.32Å; T254-Y256 PolarHBondContact O-N 3.19Å; Y256-F258 PolarHBondContact O-N 2.94Å; Y256-A259 PolarHBondContact O-N 3.39Å; Y256-F260 AromaticContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CE2 4.25Å; Y256-F260 HydrophobicContact CD2-CD2 4.2Å; Y256-F260 AromaticContact CD2-CE2 3.92Å; Y256-F260 HydrophobicContact CD2-CE2 3.92Å; Y256-F260 AromaticContact CE1-CD2 3.49Å; Y256-F260 HydrophobicContact CE1-CD2 3.49Å; Y256-F260 VanDerWaalsContact CE1-CD2 3.49Å; Y256-F260 AromaticContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CG 4.44Å; Y256-F260 AromaticContact CE2-CD2 3.95Å; Y256-F260 HydrophobicContact CE2-CD2 3.95Å; Y256-F260 AromaticContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CZ 4.36Å; Y256-F260 HydrophobicContact CG-CD2 4.13Å; Y256-F260 HydrophobicContact CG-CE2 4.32Å; Y256-F260 AromaticContact CZ-CD2 3.57Å; Y256-F260 AromaticContact CZ-CE2 3.24Å; Y256-F260 WeakPolarHBondContact O-CD2 3.34Å; Y256-F260 PolarHBondContact O-N 2.87Å; Y256-F260 WeakPolarHBondContact OH-CE2 3.24Å |
| 257 | V | 94.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 24% | 0.242 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 179.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L253 F260 N261 E287 | L253-V257 HydrophobicContact CD1-CG2 4.06Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CB 3.42Å; L253-V257 WeakPolarHBondContact O-CG2 3.28Å; L253-V257 PolarHBondContact O-N 3.19Å; V257-F260 PolarHBondContact O-N 3.02Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.44Å; V257-N261 WeakPolarHBondContact O-CB 3.06Å; V257-N261 PolarHBondContact O-N 2.9Å; V257-N261 PolarHBondContact O-ND2 3.38Å; V257-N261 VanDerWaalsContact O-ND2 3.07Å; V257-E287 VanDerWaalsContact CG1-OE1 3.24Å; V257-E287 WeakPolarHBondContact CG1-OE1 3.21Å |
| 258 | F | 95.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 21% | 0.211 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -51.1 | 176.6 | -176.2 | -112.6 | 0 | 0 | 0 | 111.6 | T254 I255 Y256 F260 N261 I262 V288 C291 F292 | T254-F258 WeakPolarHBondContact O-CB 3.42Å; T254-F258 PolarHBondContact O-N 3.21Å; I255-F258 PolarHBondContact O-N 2.69Å; Y256-F258 PolarHBondContact O-N 2.94Å; F258-F260 PolarHBondContact O-N 2.85Å; F258-N261 PolarHBondContact O-N 3.38Å; F258-I262 HydrophobicContact CE1-CG1 4.4Å; F258-I262 HydrophobicContact CE2-CD1 4.39Å; F258-I262 HydrophobicContact CZ-CD1 4.35Å; F258-I262 HydrophobicContact CZ-CG1 4.33Å; F258-I262 WeakPolarHBondContact O-CG1 2.99Å; F258-I262 PolarHBondContact O-N 3.26Å; F258-V288 HydrophobicContact CE2-CG1 3.88Å; F258-C291 HydrophobicContact CB-CB 4.04Å; F258-C291 HydrophobicContact CD2-CB 3.53Å; F258-C291 HydrophobicContact CE2-CB 4.42Å; F258-C291 HydrophobicContact CG-CB 4.2Å; F258-F292 HydrophobicContact CE2-CB 4.24Å; F258-F292 HydrophobicContact CZ-CD2 4.45Å |
| 259 | A | 95.5 | Very high | 94.6 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 37% | 0.372 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.6 | -46.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I255 Y256 N261 I262 V263 | I255-A259 WeakPolarHBondContact O-CB 3.44Å; I255-A259 PolarHBondContact O-N 3.27Å; Y256-A259 PolarHBondContact O-N 3.39Å; A259-N261 VanDerWaalsContact C-N 3.34Å; A259-N261 PolarHBondContact O-N 3.07Å; A259-I262 PolarHBondContact O-N 3.15Å; A259-V263 WeakPolarHBondContact O-CG2 3.49Å; A259-V263 PolarHBondContact O-N 3.21Å |
| 260 | F | 94.3 | Very high | 94.3 | Very high | 52 Ų | 52 | 46 Ų | 46 | 23% | 0.228 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.2 | -26.1 | -179.8 | -81.4 | -73.7 | 0 | 0 | 0 | 113.7 | L119 I127 Y256 V257 F258 Y264 | L119-F260 HydrophobicContact CD1-CB 4.11Å; L119-F260 HydrophobicContact CD1-CD1 4.41Å; I127-F260 HydrophobicContact CD1-CD1 4.11Å; I127-F260 HydrophobicContact CD1-CE1 3.49Å; I127-F260 VanDerWaalsContact CD1-CE1 3.49Å; I127-F260 HydrophobicContact CD1-CZ 4.15Å; I127-F260 HydrophobicContact CG1-CD1 4.5Å; I127-F260 HydrophobicContact CG1-CE1 3.78Å; I127-F260 HydrophobicContact CG1-CZ 3.93Å; I127-F260 HydrophobicContact CG2-CD1 3.86Å; I127-F260 HydrophobicContact CG2-CD2 4.24Å; I127-F260 HydrophobicContact CG2-CE1 3.92Å; I127-F260 HydrophobicContact CG2-CE2 4.32Å; I127-F260 HydrophobicContact CG2-CG 4.03Å; I127-F260 HydrophobicContact CG2-CZ 4.15Å; Y256-F260 AromaticContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CD2 3.8Å; Y256-F260 HydrophobicContact CD1-CE2 4.25Å; Y256-F260 HydrophobicContact CD2-CD2 4.2Å; Y256-F260 AromaticContact CD2-CE2 3.92Å; Y256-F260 HydrophobicContact CD2-CE2 3.92Å; Y256-F260 AromaticContact CE1-CD2 3.49Å; Y256-F260 HydrophobicContact CE1-CD2 3.49Å; Y256-F260 VanDerWaalsContact CE1-CD2 3.49Å; Y256-F260 AromaticContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CE2 3.72Å; Y256-F260 HydrophobicContact CE1-CG 4.44Å; Y256-F260 AromaticContact CE2-CD2 3.95Å; Y256-F260 HydrophobicContact CE2-CD2 3.95Å; Y256-F260 AromaticContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CE2 3.38Å; Y256-F260 HydrophobicContact CE2-CZ 4.36Å; Y256-F260 HydrophobicContact CG-CD2 4.13Å; Y256-F260 HydrophobicContact CG-CE2 4.32Å; Y256-F260 AromaticContact CZ-CD2 3.57Å; Y256-F260 AromaticContact CZ-CE2 3.24Å; Y256-F260 WeakPolarHBondContact O-CD2 3.34Å; Y256-F260 PolarHBondContact O-N 2.87Å; Y256-F260 WeakPolarHBondContact OH-CE2 3.24Å; V257-F260 PolarHBondContact O-N 3.02Å; F258-F260 PolarHBondContact O-N 2.85Å; F260-Y264 WeakPolarHBondContact O-CB 3.47Å; F260-Y264 PolarHBondContact O-N 3.42Å |
| 261 | N | 92.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 169.2 | -81.9 | -42.4 | 0 | 0 | 0 | 111.8 | V257 F258 A259 Y264 V265 T284 E287 V288 | V257-N261 WeakPolarHBondContact CG1-ND2 3.44Å; V257-N261 WeakPolarHBondContact O-CB 3.06Å; V257-N261 PolarHBondContact O-N 2.9Å; V257-N261 PolarHBondContact O-ND2 3.38Å; V257-N261 VanDerWaalsContact O-ND2 3.07Å; F258-N261 PolarHBondContact O-N 3.38Å; A259-N261 VanDerWaalsContact C-N 3.34Å; A259-N261 PolarHBondContact O-N 3.07Å; N261-Y264 PolarHBondContact O-N 2.93Å; N261-V265 WeakPolarHBondContact O-CG2 3.44Å; N261-V265 PolarHBondContact O-N 2.81Å; N261-T284 HydrophobicContact CB-CG2 4.33Å; N261-E287 PolarHBondContact ND2-OE1 3.05Å; N261-V288 HydrophobicContact CB-CG2 3.7Å |
| 262 | I | 93.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 173.7 | -61.7 | -58 | 0 | 0 | 0 | 110.8 | F258 A259 Y264 V265 A266 V288 | F258-I262 HydrophobicContact CE1-CG1 4.4Å; F258-I262 HydrophobicContact CE2-CD1 4.39Å; F258-I262 HydrophobicContact CZ-CD1 4.35Å; F258-I262 HydrophobicContact CZ-CG1 4.33Å; F258-I262 WeakPolarHBondContact O-CG1 2.99Å; F258-I262 PolarHBondContact O-N 3.26Å; A259-I262 PolarHBondContact O-N 3.15Å; I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 PolarHBondContact O-N 3.27Å; I262-V265 PolarHBondContact O-N 3.26Å; I262-A266 WeakPolarHBondContact O-CB 3.42Å; I262-A266 PolarHBondContact O-N 2.6Å; I262-V288 HydrophobicContact CD1-CG1 3.91Å; I262-V288 HydrophobicContact CD1-CG2 4.25Å |
| 263 | V | 93.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | L123 A259 A266 L267 | L123-V263 HydrophobicContact CD1-CG1 3.95Å; A259-V263 WeakPolarHBondContact O-CG2 3.49Å; A259-V263 PolarHBondContact O-N 3.21Å; V263-A266 PolarHBondContact O-N 3.07Å; V263-L267 HydrophobicContact CG1-CD1 3.83Å; V263-L267 HydrophobicContact CG1-CG 4.22Å; V263-L267 WeakPolarHBondContact O-CB 3.22Å; V263-L267 WeakPolarHBondContact O-CG 3.28Å; V263-L267 PolarHBondContact O-N 2.85Å |
| 264 | Y | 91.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 55 Ų | 55 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 176.5 | 173.1 | -94 | 0 | 0 | 0 | 112 | R115 Y118 F260 N261 I262 A266 L267 K268 T281 T284 | R115-Y264 HydrophobicContact CG-CD1 4.47Å; R115-Y264 HydrophobicContact CG-CD2 4.39Å; R115-Y264 HydrophobicContact CG-CE1 4.23Å; R115-Y264 HydrophobicContact CG-CE2 4.16Å; Y118-Y264 AromaticContact CD1-CD2 3.58Å; Y118-Y264 HydrophobicContact CD1-CD2 3.58Å; Y118-Y264 AromaticContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CD1-CE2 3.71Å; Y118-Y264 HydrophobicContact CE1-CD2 4.14Å; Y118-Y264 HydrophobicContact CE1-CE2 4.32Å; Y118-Y264 HydrophobicContact CG-CD2 4.2Å; Y118-Y264 AromaticContact CG-CE2 3.88Å; Y118-Y264 HydrophobicContact CG-CE2 3.88Å; F260-Y264 WeakPolarHBondContact O-CB 3.47Å; F260-Y264 PolarHBondContact O-N 3.42Å; N261-Y264 PolarHBondContact O-N 2.93Å; I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 PolarHBondContact O-N 3.27Å; Y264-A266 VanDerWaalsContact C-N 3.34Å; Y264-A266 PolarHBondContact O-N 3.2Å; Y264-L267 PolarHBondContact O-N 3.37Å; Y264-K268 HydrophobicContact CE1-CD 4.35Å; Y264-K268 WeakPolarHBondContact O-CB 3.49Å; Y264-K268 PolarHBondContact O-N 2.82Å; Y264-T281 HydrophobicContact CE1-CG2 4.02Å; Y264-T284 HydrophobicContact CD1-CG2 3.93Å; Y264-T284 HydrophobicContact CE1-CG2 4.35Å |
| 265 | V | 91.8 | Very high | 92.8 | Very high | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 178.3 | 173 | 0 | 0 | 0 | 0 | 110.7 | N261 I262 K268 S269 F274 T277 T284 | N261-V265 WeakPolarHBondContact O-CG2 3.44Å; N261-V265 PolarHBondContact O-N 2.81Å; I262-V265 PolarHBondContact O-N 3.26Å; V265-K268 PolarHBondContact O-N 3.4Å; V265-S269 VanDerWaalsContact O-CB 3.25Å; V265-S269 WeakPolarHBondContact O-CB 3.27Å; V265-S269 PolarHBondContact O-N 3.04Å; V265-S269 PolarHBondContact O-OG 3.18Å; V265-F274 HydrophobicContact CG1-CE2 4.23Å; V265-T277 HydrophobicContact CG1-CG2 4.27Å; V265-T284 HydrophobicContact CG2-CG2 3.68Å |
| 266 | A | 92.4 | Very high | 92.5 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I262 V263 Y264 K268 S269 L270 | I262-A266 WeakPolarHBondContact O-CB 3.42Å; I262-A266 PolarHBondContact O-N 2.6Å; V263-A266 PolarHBondContact O-N 3.07Å; Y264-A266 VanDerWaalsContact C-N 3.34Å; Y264-A266 PolarHBondContact O-N 3.2Å; A266-K268 VanDerWaalsContact C-N 3.31Å; A266-K268 PolarHBondContact O-N 2.95Å; A266-S269 PolarHBondContact O-N 3.05Å; A266-S269 PolarHBondContact O-OG 2.95Å; A266-L270 VanDerWaalsContact O-CG 3.32Å; A266-L270 WeakPolarHBondContact O-CG 3.47Å; A266-L270 PolarHBondContact O-N 2.84Å |
| 267 | L | 91.4 | Very high | 92.2 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 179.2 | -71.1 | 177.2 | 0 | 0 | 0 | 112.6 | Y118 L123 V263 Y264 | Y118-L267 HydrophobicContact CE1-CB 4.29Å; L123-L267 HydrophobicContact CD1-CD1 3.82Å; L123-L267 HydrophobicContact CG-CD1 4.33Å; V263-L267 HydrophobicContact CG1-CD1 3.83Å; V263-L267 HydrophobicContact CG1-CG 4.22Å; V263-L267 WeakPolarHBondContact O-CB 3.22Å; V263-L267 WeakPolarHBondContact O-CG 3.28Å; V263-L267 PolarHBondContact O-N 2.85Å; Y264-L267 PolarHBondContact O-N 3.37Å |
| 268 | K | 89.8 | Confident | 92 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 12% | 0.122 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.1 | -37.3 | 178.1 | -166.8 | 166.7 | -178.8 | -174.5 | 0 | 111.5 | Y264 V265 A266 L270 K271 I272 T277 E280 T281 | Y264-K268 HydrophobicContact CE1-CD 4.35Å; Y264-K268 WeakPolarHBondContact O-CB 3.49Å; Y264-K268 PolarHBondContact O-N 2.82Å; V265-K268 PolarHBondContact O-N 3.4Å; A266-K268 VanDerWaalsContact C-N 3.31Å; A266-K268 PolarHBondContact O-N 2.95Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.92Å; K268-K271 PolarHBondContact O-N 3.22Å; K268-I272 HydrophobicContact CD-CD1 4.43Å; K268-I272 HydrophobicContact CG-CD1 4.07Å; K268-I272 HydrophobicContact CG-CG1 4.24Å; K268-I272 WeakPolarHBondContact O-CG1 3.32Å; K268-I272 PolarHBondContact O-N 2.76Å; K268-I272 VanDerWaalsContact O-N 3.16Å; K268-T277 VanDerWaalsContact C-OG1 3.32Å; K268-T277 HydrophobicContact CB-CG2 3.81Å; K268-T277 HydrophobicContact CD-CG2 4.19Å; K268-T277 HydrophobicContact CG-CG2 3.93Å; K268-T277 PolarHBondContact O-OG1 3.41Å; K268-E280 WeakPolarHBondContact CE-OE2 3.4Å; K268-E280 IonicContact NZ-OE2 2.71Å; K268-E280 PolarHBondContact NZ-OE2 3.08Å; K268-T281 HydrophobicContact CD-CG2 4.08Å |
| 269 | S | 92.1 | Very high | 91.7 | Very high | 28 Ų | 28 | 63.7 Ų | 63.7 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -30.8 | 177 | 69 | 0 | 0 | 0 | 0 | 113.1 | V265 A266 K271 G273 T277 | V265-S269 VanDerWaalsContact O-CB 3.25Å; V265-S269 WeakPolarHBondContact O-CB 3.27Å; V265-S269 PolarHBondContact O-N 3.04Å; V265-S269 PolarHBondContact O-OG 3.18Å; A266-S269 PolarHBondContact O-N 3.05Å; A266-S269 PolarHBondContact O-OG 2.95Å; S269-K271 PolarHBondContact O-N 2.8Å; S269-G273 CarbonylContact O-C 3.31Å; S269-G273 WeakPolarHBondContact O-CA 3.44Å; S269-G273 PolarHBondContact O-N 3.1Å; S269-T277 VanDerWaalsContact CA-OG1 3.25Å; S269-T277 WeakPolarHBondContact CA-OG1 3.46Å; S269-T277 PolarHBondContact N-OG1 2.98Å |
| 270 | L | 92.3 | Very high | 91.4 | Very high | 145 Ų | 145 | 65.5 Ų | 65.5 | 76% | 0.759 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65 | -24 | 171.9 | -69.8 | 173 | 0 | 0 | 0 | 113.5 | A266 K268 | A266-L270 VanDerWaalsContact O-CG 3.32Å; A266-L270 WeakPolarHBondContact O-CG 3.47Å; A266-L270 PolarHBondContact O-N 2.84Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.92Å |
| 271 | K | 90.1 | Very high | 91.1 | Very high | 128 Ų | 128 | 63 Ų | 63 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -92.6 | -44 | -176.9 | -67.6 | 179.7 | 178.6 | 175.3 | 0 | 113.1 | Y118 K268 S269 | Y118-K271 WeakPolarHBondContact OH-CE 3.46Å; Y118-K271 PolarHBondContact OH-NZ 3.39Å; K268-K271 PolarHBondContact O-N 3.22Å; S269-K271 PolarHBondContact O-N 2.8Å |
| 272 | I | 91.4 | Very high | 90.9 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 35% | 0.354 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -121.1 | 1.2 | -171.4 | 63.4 | 170.7 | 0 | 0 | 0 | 113.5 | K268 E276 T277 E280 | K268-I272 HydrophobicContact CD-CD1 4.43Å; K268-I272 HydrophobicContact CG-CD1 4.07Å; K268-I272 HydrophobicContact CG-CG1 4.24Å; K268-I272 WeakPolarHBondContact O-CG1 3.32Å; K268-I272 PolarHBondContact O-N 2.76Å; K268-I272 VanDerWaalsContact O-N 3.16Å; I272-E276 HydrophobicContact CD1-CB 4.4Å; I272-E276 HydrophobicContact CD1-CG 4.33Å; I272-E276 HydrophobicContact CG1-CB 4.41Å; I272-E276 VanDerWaalsContact O-CB 3.32Å; I272-E276 WeakPolarHBondContact O-CB 3.37Å; I272-T277 VanDerWaalsContact CG1-OG1 3.32Å; I272-T277 WeakPolarHBondContact CG1-OG1 3.08Å; I272-E280 HydrophobicContact CD1-CG 4.23Å; I272-E280 WeakPolarHBondContact CD1-OE2 3.35Å |
| 273 | G | 92.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | trans | 88.6 | 155 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | S269 T277 | S269-G273 CarbonylContact O-C 3.31Å; S269-G273 WeakPolarHBondContact O-CA 3.44Å; S269-G273 PolarHBondContact O-N 3.1Å; G273-T277 WeakPolarHBondContact O-CB 3.47Å; G273-T277 PolarHBondContact O-N 3.34Å; G273-T277 PolarHBondContact O-OG1 3.33Å | ||
| 274 | F | 91.2 | Very high | 90.5 | Very high | 120 Ų | 120 | 61.6 Ų | 61.6 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.5 | -52.5 | -174.7 | 179.8 | -109.6 | 0 | 0 | 0 | 113 | V265 E276 T277 L278 | V265-F274 HydrophobicContact CG1-CE2 4.23Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 2.85Å; F274-T277 WeakPolarHBondContact O-CB 3.41Å; F274-T277 PolarHBondContact O-N 2.64Å; F274-T277 VanDerWaalsContact O-N 3.16Å; F274-L278 HydrophobicContact CD1-CD1 4.14Å; F274-L278 HydrophobicContact CE1-CD1 3.56Å; F274-L278 HydrophobicContact CE1-CG 4.31Å; F274-L278 HydrophobicContact CE2-CD1 4.39Å; F274-L278 HydrophobicContact CE2-CD2 4.24Å; F274-L278 HydrophobicContact CE2-CG 4.37Å; F274-L278 HydrophobicContact CZ-CD1 3.71Å; F274-L278 HydrophobicContact CZ-CD2 4.19Å; F274-L278 HydrophobicContact CZ-CG 4.17Å; F274-L278 WeakPolarHBondContact O-CG 3.41Å; F274-L278 PolarHBondContact O-N 2.68Å |
| 275 | L | 91.9 | Very high | 90.4 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | -178.9 | -71.5 | 176.6 | 0 | 0 | 0 | 112.1 | L278 K279 | L275-L278 PolarHBondContact O-N 2.89Å; L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.46Å; L275-K279 VanDerWaalsContact O-N 3.14Å |
| 276 | E | 91.1 | Very high | 90.4 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 178.1 | -158.9 | 56 | -149 | 0 | 0 | 111.5 | I272 F274 L278 K279 E280 | I272-E276 HydrophobicContact CD1-CB 4.4Å; I272-E276 HydrophobicContact CD1-CG 4.33Å; I272-E276 HydrophobicContact CG1-CB 4.41Å; I272-E276 VanDerWaalsContact O-CB 3.32Å; I272-E276 WeakPolarHBondContact O-CB 3.37Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 2.85Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 2.95Å; E276-K279 PolarHBondContact O-N 2.76Å; E276-E280 WeakPolarHBondContact O-CB 3.23Å; E276-E280 WeakPolarHBondContact O-CG 3.45Å; E276-E280 PolarHBondContact O-N 2.77Å |
| 277 | T | 89.1 | Confident | 90.4 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 173.6 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | V265 K268 S269 I272 G273 F274 E280 T281 | V265-T277 HydrophobicContact CG1-CG2 4.27Å; K268-T277 VanDerWaalsContact C-OG1 3.32Å; K268-T277 HydrophobicContact CB-CG2 3.81Å; K268-T277 HydrophobicContact CD-CG2 4.19Å; K268-T277 HydrophobicContact CG-CG2 3.93Å; K268-T277 PolarHBondContact O-OG1 3.41Å; S269-T277 VanDerWaalsContact CA-OG1 3.25Å; S269-T277 WeakPolarHBondContact CA-OG1 3.46Å; S269-T277 PolarHBondContact N-OG1 2.98Å; I272-T277 VanDerWaalsContact CG1-OG1 3.32Å; I272-T277 WeakPolarHBondContact CG1-OG1 3.08Å; G273-T277 WeakPolarHBondContact O-CB 3.47Å; G273-T277 PolarHBondContact O-N 3.34Å; G273-T277 PolarHBondContact O-OG1 3.33Å; F274-T277 WeakPolarHBondContact O-CB 3.41Å; F274-T277 PolarHBondContact O-N 2.64Å; F274-T277 VanDerWaalsContact O-N 3.16Å; T277-E280 PolarHBondContact O-N 3.32Å; T277-T281 WeakPolarHBondContact O-CB 3.23Å; T277-T281 PolarHBondContact O-N 3.41Å; T277-T281 PolarHBondContact O-OG1 2.71Å |
| 278 | L | 90.3 | Very high | 90.4 | Very high | 52 Ų | 52 | 66 Ų | 66 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 177.6 | -63.5 | -179.6 | 0 | 0 | 0 | 111.7 | F274 L275 E276 T281 V285 | F274-L278 HydrophobicContact CD1-CD1 4.14Å; F274-L278 HydrophobicContact CE1-CD1 3.56Å; F274-L278 HydrophobicContact CE1-CG 4.31Å; F274-L278 HydrophobicContact CE2-CD1 4.39Å; F274-L278 HydrophobicContact CE2-CD2 4.24Å; F274-L278 HydrophobicContact CE2-CG 4.37Å; F274-L278 HydrophobicContact CZ-CD1 3.71Å; F274-L278 HydrophobicContact CZ-CD2 4.19Å; F274-L278 HydrophobicContact CZ-CG 4.17Å; F274-L278 WeakPolarHBondContact O-CG 3.41Å; F274-L278 PolarHBondContact O-N 2.68Å; L275-L278 PolarHBondContact O-N 2.89Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 2.95Å; L278-T281 CarbonylContact O-C 3.53Å; L278-T281 PolarHBondContact O-N 3.3Å; L278-V285 HydrophobicContact CB-CG2 4.33Å; L278-V285 HydrophobicContact CD2-CG2 3.48Å; L278-V285 VanDerWaalsContact CD2-CG2 3.48Å; L278-V285 HydrophobicContact CG-CG2 4.48Å |
| 279 | K | 89.3 | Confident | 90.6 | Very high | 152 Ų | 152 | 69 Ų | 69 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.2 | -40.7 | 177.6 | -70.9 | 175.4 | -175.8 | 175.3 | 0 | 112.5 | L275 E276 T281 | L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.46Å; L275-K279 VanDerWaalsContact O-N 3.14Å; E276-K279 PolarHBondContact O-N 2.76Å; K279-T281 VanDerWaalsContact C-N 3.33Å |
| 280 | E | 88.6 | Confident | 90.7 | Very high | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73.6 | -24.2 | 178.6 | -76 | -159 | 169.2 | 0 | 0 | 113.3 | V109 K268 I272 E276 T277 | V109-E280 WeakPolarHBondContact CG1-O 3.49Å; K268-E280 WeakPolarHBondContact CE-OE2 3.4Å; K268-E280 IonicContact NZ-OE2 2.71Å; K268-E280 PolarHBondContact NZ-OE2 3.08Å; I272-E280 HydrophobicContact CD1-CG 4.23Å; I272-E280 WeakPolarHBondContact CD1-OE2 3.35Å; E276-E280 WeakPolarHBondContact O-CB 3.23Å; E276-E280 WeakPolarHBondContact O-CG 3.45Å; E276-E280 PolarHBondContact O-N 2.77Å; T277-E280 PolarHBondContact O-N 3.32Å |
| 281 | T | 88.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -128 | 54.8 | -172.5 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | V109 Y264 K268 T277 L278 K279 G283 T284 V285 | V109-T281 HydrophobicContact CG1-CG2 4.36Å; Y264-T281 HydrophobicContact CE1-CG2 4.02Å; K268-T281 HydrophobicContact CD-CG2 4.08Å; T277-T281 WeakPolarHBondContact O-CB 3.23Å; T277-T281 PolarHBondContact O-N 3.41Å; T277-T281 PolarHBondContact O-OG1 2.71Å; L278-T281 CarbonylContact O-C 3.53Å; L278-T281 PolarHBondContact O-N 3.3Å; K279-T281 VanDerWaalsContact C-N 3.33Å; T281-G283 PolarHBondContact O-N 3.32Å; T281-G283 VanDerWaalsContact O-N 3.13Å; T281-T284 PolarHBondContact O-N 2.93Å; T281-V285 PolarHBondContact O-N 3.08Å | ||
| 282 | P | 88.1 | Confident | 91 | Very high | 84 Ų | 84 | 63.9 Ų | 63.9 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -30.3 | -177.1 | 26.4 | -35.2 | 0 | 0 | 0 | 112.4 | V285 L286 | P282-V285 PolarHBondContact O-N 3.39Å; P282-L286 PolarHBondContact O-N 2.96Å |
| 283 | G | 88.4 | Confident | 91.2 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T281 E287 | T281-G283 PolarHBondContact O-N 3.32Å; T281-G283 VanDerWaalsContact O-N 3.13Å; G283-E287 WeakPolarHBondContact O-CB 3.48Å; G283-E287 PolarHBondContact O-N 3.46Å |
| 284 | T | 89.2 | Confident | 91.2 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 176.5 | -49.4 | 0 | 0 | 0 | 0 | 111 | R115 N261 Y264 V265 T281 E287 V288 | R115-T284 WeakPolarHBondContact CD-OG1 3.44Å; N261-T284 HydrophobicContact CB-CG2 4.33Å; Y264-T284 HydrophobicContact CD1-CG2 3.93Å; Y264-T284 HydrophobicContact CE1-CG2 4.35Å; V265-T284 HydrophobicContact CG2-CG2 3.68Å; T281-T284 PolarHBondContact O-N 2.93Å; T284-E287 PolarHBondContact O-N 3.5Å; T284-V288 HydrophobicContact CG2-CG2 4.39Å; T284-V288 WeakPolarHBondContact O-CB 3.27Å; T284-V288 VanDerWaalsContact O-CG2 3.26Å; T284-V288 WeakPolarHBondContact O-CG2 3.38Å; T284-V288 PolarHBondContact O-N 3.48Å |
| 285 | V | 89.5 | Confident | 91.4 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | L278 T281 P282 E287 V288 L289 | L278-V285 HydrophobicContact CB-CG2 4.33Å; L278-V285 HydrophobicContact CD2-CG2 3.48Å; L278-V285 VanDerWaalsContact CD2-CG2 3.48Å; L278-V285 HydrophobicContact CG-CG2 4.48Å; T281-V285 PolarHBondContact O-N 3.08Å; P282-V285 PolarHBondContact O-N 3.39Å; V285-E287 VanDerWaalsContact C-N 3.32Å; V285-E287 PolarHBondContact O-N 3.16Å; V285-V288 PolarHBondContact O-N 2.77Å; V285-L289 HydrophobicContact CG1-CD1 4.35Å; V285-L289 WeakPolarHBondContact O-CG 3.28Å; V285-L289 PolarHBondContact O-N 2.91Å |
| 286 | L | 91.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 66.5 Ų | 66.5 | 56% | 0.555 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.2 | -43.8 | 175.8 | 179.9 | 61.1 | 0 | 0 | 0 | 111.7 | P282 L289 I290 | P282-L286 PolarHBondContact O-N 2.96Å; L286-L289 PolarHBondContact O-N 3.29Å; L286-I290 HydrophobicContact CD1-CD1 4.08Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.92Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.37Å; L286-I290 PolarHBondContact O-N 2.92Å |
| 287 | E | 91.7 | Very high | 91.6 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 23% | 0.229 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.4 | -170.1 | 178.6 | 161.6 | 0 | 0 | 112.3 | R115 V257 N261 G283 T284 V285 L289 I290 C291 | R115-E287 IonicContact CZ-OE2 3.41Å; R115-E287 VanDerWaalsContact CZ-OE2 3.25Å; R115-E287 IonicContact NE-OE2 3.31Å; R115-E287 PolarHBondContact NE-OE2 2.84Å; R115-E287 IonicContact NH2-OE2 3.8Å; R115-E287 PolarHBondContact NH2-OE2 3.31Å; V257-E287 VanDerWaalsContact CG1-OE1 3.24Å; V257-E287 WeakPolarHBondContact CG1-OE1 3.21Å; N261-E287 PolarHBondContact ND2-OE1 3.05Å; G283-E287 WeakPolarHBondContact O-CB 3.48Å; G283-E287 PolarHBondContact O-N 3.46Å; T284-E287 PolarHBondContact O-N 3.5Å; V285-E287 VanDerWaalsContact C-N 3.32Å; V285-E287 PolarHBondContact O-N 3.16Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 3.18Å; E287-I290 PolarHBondContact O-N 3.12Å; E287-C291 VanDerWaalsContact O-CB 3.28Å; E287-C291 WeakPolarHBondContact O-CB 3.36Å; E287-C291 PolarHBondContact O-N 3.47Å; E287-C291 PolarHBondContact O-SG 2.9Å |
| 288 | V | 92.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.3 | 167.6 | 0 | 0 | 0 | 0 | 111 | F258 N261 I262 T284 V285 C291 F292 | F258-V288 HydrophobicContact CE2-CG1 3.88Å; N261-V288 HydrophobicContact CB-CG2 3.7Å; I262-V288 HydrophobicContact CD1-CG1 3.91Å; I262-V288 HydrophobicContact CD1-CG2 4.25Å; T284-V288 HydrophobicContact CG2-CG2 4.39Å; T284-V288 WeakPolarHBondContact O-CB 3.27Å; T284-V288 VanDerWaalsContact O-CG2 3.26Å; T284-V288 WeakPolarHBondContact O-CG2 3.38Å; T284-V288 PolarHBondContact O-N 3.48Å; V285-V288 PolarHBondContact O-N 2.77Å; V288-C291 PolarHBondContact O-N 3.39Å; V288-F292 WeakPolarHBondContact O-CB 3.12Å; V288-F292 PolarHBondContact O-N 3.47Å |
| 289 | L | 93.8 | Very high | 92.2 | Very high | 91 Ų | 91 | 68 Ų | 68 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 177 | -69.4 | 173.3 | 0 | 0 | 0 | 111.6 | V285 L286 E287 C291 F292 F293 | V285-L289 HydrophobicContact CG1-CD1 4.35Å; V285-L289 WeakPolarHBondContact O-CG 3.28Å; V285-L289 PolarHBondContact O-N 2.91Å; L286-L289 PolarHBondContact O-N 3.29Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 3.18Å; L289-C291 VanDerWaalsContact C-N 3.35Å; L289-C291 PolarHBondContact O-N 3.22Å; L289-F292 PolarHBondContact O-N 2.97Å; L289-F293 WeakPolarHBondContact O-CD2 3.12Å; L289-F293 PolarHBondContact O-N 2.9Å |
| 290 | I | 93.9 | Very high | 92.6 | Very high | 92 Ų | 92 | 62.8 Ų | 62.8 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 176.1 | -67.7 | 166.9 | 0 | 0 | 0 | 110.2 | L286 E287 F292 F293 T294 | L286-I290 HydrophobicContact CD1-CD1 4.08Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.92Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.37Å; L286-I290 PolarHBondContact O-N 2.92Å; E287-I290 PolarHBondContact O-N 3.12Å; I290-F292 VanDerWaalsContact C-N 3.31Å; I290-F292 PolarHBondContact O-N 3.07Å; I290-F293 PolarHBondContact O-N 2.82Å; I290-T294 HydrophobicContact CG2-CG2 4.1Å; I290-T294 WeakPolarHBondContact O-CB 3.46Å; I290-T294 VanDerWaalsContact O-CG2 3.24Å; I290-T294 WeakPolarHBondContact O-CG2 3.28Å; I290-T294 PolarHBondContact O-N 3.49Å; I290-T294 PolarHBondContact O-OG1 2.63Å |
| 291 | C | 94.7 | Very high | 93 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.081 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.2 | -73 | 0 | 0 | 0 | 0 | 111.5 | F258 E287 V288 L289 F293 T294 L295 | F258-C291 HydrophobicContact CB-CB 4.04Å; F258-C291 HydrophobicContact CD2-CB 3.53Å; F258-C291 HydrophobicContact CE2-CB 4.42Å; F258-C291 HydrophobicContact CG-CB 4.2Å; E287-C291 VanDerWaalsContact O-CB 3.28Å; E287-C291 WeakPolarHBondContact O-CB 3.36Å; E287-C291 PolarHBondContact O-N 3.47Å; E287-C291 PolarHBondContact O-SG 2.9Å; V288-C291 PolarHBondContact O-N 3.39Å; L289-C291 VanDerWaalsContact C-N 3.35Å; L289-C291 PolarHBondContact O-N 3.22Å; C291-F293 PolarHBondContact O-N 2.72Å; C291-T294 VanDerWaalsContact CA-OG1 3.28Å; C291-T294 WeakPolarHBondContact CA-OG1 3.43Å; C291-T294 PolarHBondContact O-N 3.01Å; C291-T294 PolarHBondContact O-OG1 2.85Å; C291-T294 VanDerWaalsContact O-OG1 3.12Å; C291-L295 WeakPolarHBondContact O-CB 3.48Å; C291-L295 PolarHBondContact O-N 3.39Å |
| 292 | F | 93.9 | Very high | 93.4 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 40% | 0.395 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 178.9 | 178.9 | -100.3 | 0 | 0 | 0 | 112.2 | F258 V288 L289 I290 W296 | F258-F292 HydrophobicContact CE2-CB 4.24Å; F258-F292 HydrophobicContact CZ-CD2 4.45Å; V288-F292 WeakPolarHBondContact O-CB 3.12Å; V288-F292 PolarHBondContact O-N 3.47Å; L289-F292 PolarHBondContact O-N 2.97Å; I290-F292 VanDerWaalsContact C-N 3.31Å; I290-F292 PolarHBondContact O-N 3.07Å; F292-W296 AromaticContact CE1-NE1 3.95Å; F292-W296 AromaticContact CE2-NE1 3.59Å; F292-W296 AromaticContact CZ-NE1 3.51Å |
| 293 | F | 94.3 | Very high | 93.9 | Very high | 143 Ų | 143 | 60.6 Ų | 60.6 | 63% | 0.627 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.5 | -38.4 | 179.6 | -67.4 | -67.6 | 0 | 0 | 0 | 112.8 | L289 I290 C291 | L289-F293 WeakPolarHBondContact O-CD2 3.12Å; L289-F293 PolarHBondContact O-N 2.9Å; I290-F293 PolarHBondContact O-N 2.82Å; C291-F293 PolarHBondContact O-N 2.72Å |
| 294 | T | 93.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.5 | -33 | 179.4 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | I290 C291 W296 S297 V298 | I290-T294 HydrophobicContact CG2-CG2 4.1Å; I290-T294 WeakPolarHBondContact O-CB 3.46Å; I290-T294 VanDerWaalsContact O-CG2 3.24Å; I290-T294 WeakPolarHBondContact O-CG2 3.28Å; I290-T294 PolarHBondContact O-N 3.49Å; I290-T294 PolarHBondContact O-OG1 2.63Å; C291-T294 VanDerWaalsContact CA-OG1 3.28Å; C291-T294 WeakPolarHBondContact CA-OG1 3.43Å; C291-T294 PolarHBondContact O-N 3.01Å; C291-T294 PolarHBondContact O-OG1 2.85Å; C291-T294 VanDerWaalsContact O-OG1 3.12Å; T294-W296 PolarHBondContact O-N 3.08Å; T294-S297 PolarHBondContact O-N 3.27Å; T294-V298 WeakPolarHBondContact O-CB 3.43Å; T294-V298 VanDerWaalsContact O-CG2 3.31Å; T294-V298 WeakPolarHBondContact O-CG2 3.19Å; T294-V298 PolarHBondContact O-N 3.06Å |
| 295 | L | 94.4 | Very high | 94.8 | Very high | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.1 | -52 | 178 | -173.8 | 86.2 | 0 | 0 | 0 | 111.4 | T254 I255 C291 S297 V298 V299 | T254-L295 HydrophobicContact CG2-CB 4.39Å; T254-L295 HydrophobicContact CG2-CD1 4.15Å; I255-L295 HydrophobicContact CB-CD1 4.37Å; I255-L295 HydrophobicContact CG1-CD1 3.48Å; I255-L295 VanDerWaalsContact CG1-CD1 3.48Å; C291-L295 WeakPolarHBondContact O-CB 3.48Å; C291-L295 PolarHBondContact O-N 3.39Å; L295-S297 VanDerWaalsContact C-N 3.31Å; L295-S297 PolarHBondContact O-N 2.81Å; L295-V298 PolarHBondContact O-N 2.82Å; L295-V299 HydrophobicContact CD1-CG2 3.99Å; L295-V299 HydrophobicContact CG-CG2 4.1Å; L295-V299 WeakPolarHBondContact O-CB 3.38Å; L295-V299 VanDerWaalsContact O-CG2 3.25Å; L295-V299 WeakPolarHBondContact O-CG2 3.03Å; L295-V299 PolarHBondContact O-N 3.25Å |
| 296 | W | 93.8 | Very high | 95.2 | Very high | 172 Ų | 172 | 63.3 Ų | 63.3 | 65% | 0.652 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.4 | -44 | -179 | -69 | 109.2 | 0 | 0 | 0 | 112.1 | F292 T294 G300 | F292-W296 AromaticContact CE1-NE1 3.95Å; F292-W296 AromaticContact CE2-NE1 3.59Å; F292-W296 AromaticContact CZ-NE1 3.51Å; T294-W296 PolarHBondContact O-N 3.08Å; W296-G300 WeakPolarHBondContact O-CA 3.46Å; W296-G300 PolarHBondContact O-N 3.08Å |
| 297 | S | 94.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 63.4 Ų | 63.4 | 61% | 0.608 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68 | -51.2 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 112 | T294 L295 G300 L301 | T294-S297 PolarHBondContact O-N 3.27Å; L295-S297 VanDerWaalsContact C-N 3.31Å; L295-S297 PolarHBondContact O-N 2.81Å; S297-G300 PolarHBondContact O-N 3.29Å; S297-L301 WeakPolarHBondContact O-CB 3.49Å; S297-L301 PolarHBondContact O-N 3.48Å |
| 298 | V | 95.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.158 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.5 | -42.4 | -173.9 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | L250 S251 T294 L295 L301 T302 | L250-V298 HydrophobicContact CB-CG1 4.26Å; L250-V298 HydrophobicContact CD2-CG1 3.99Å; L250-V298 HydrophobicContact CD2-CG2 4.34Å; L250-V298 HydrophobicContact CG-CG1 3.94Å; S251-V298 PolarHBondContact OG-O 3.01Å; T294-V298 WeakPolarHBondContact O-CB 3.43Å; T294-V298 VanDerWaalsContact O-CG2 3.31Å; T294-V298 WeakPolarHBondContact O-CG2 3.19Å; T294-V298 PolarHBondContact O-N 3.06Å; L295-V298 PolarHBondContact O-N 2.82Å; V298-L301 PolarHBondContact O-N 3.03Å; V298-T302 PolarHBondContact O-N 3.31Å; V298-T302 PolarHBondContact O-OG1 2.87Å |
| 299 | V | 96.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 35% | 0.345 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 176.1 | 178 | 0 | 0 | 0 | 0 | 110.6 | I255 L295 L301 T302 G303 | I255-V299 HydrophobicContact CD1-CG2 4.08Å; I255-V299 HydrophobicContact CG1-CG2 4.3Å; L295-V299 HydrophobicContact CD1-CG2 3.99Å; L295-V299 HydrophobicContact CG-CG2 4.1Å; L295-V299 WeakPolarHBondContact O-CB 3.38Å; L295-V299 VanDerWaalsContact O-CG2 3.25Å; L295-V299 WeakPolarHBondContact O-CG2 3.03Å; L295-V299 PolarHBondContact O-N 3.25Å; V299-L301 PolarHBondContact O-N 3.16Å; V299-T302 PolarHBondContact O-N 3.2Å; V299-G303 PolarHBondContact O-N 3.02Å |
| 300 | G | 97 | Very high | 96 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W296 S297 G303 F304 | W296-G300 WeakPolarHBondContact O-CA 3.46Å; W296-G300 PolarHBondContact O-N 3.08Å; S297-G300 PolarHBondContact O-N 3.29Å; G300-G303 PolarHBondContact O-N 3.23Å; G300-F304 PolarHBondContact O-N 2.99Å |
| 301 | L | 96.8 | Very high | 96 | Very high | 72 Ų | 72 | 55 Ų | 55 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.7 | -177.8 | 64.3 | 0 | 0 | 0 | 112.1 | I247 S297 V298 V299 G303 F304 H305 | I247-L301 HydrophobicContact CD1-CG 4.46Å; I247-L301 HydrophobicContact CG2-CD2 4.09Å; S297-L301 WeakPolarHBondContact O-CB 3.49Å; S297-L301 PolarHBondContact O-N 3.48Å; V298-L301 PolarHBondContact O-N 3.03Å; V299-L301 PolarHBondContact O-N 3.16Å; L301-G303 VanDerWaalsContact C-N 3.32Å; L301-G303 PolarHBondContact O-N 3.45Å; L301-F304 PolarHBondContact O-N 2.93Å; L301-H305 PolarHBondContact O-CD2 2.98Å; L301-H305 PolarHBondContact O-N 3.3Å |
| 302 | T | 98.3 | Very high | 96 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 175.6 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | I247 L248 S251 V298 V299 T306 | I247-T302 VanDerWaalsContact C-OG1 3.3Å; I247-T302 PolarHBondContact O-OG1 3.32Å; I247-T302 VanDerWaalsContact O-OG1 3.11Å; L248-T302 HydrophobicContact CB-CG2 4.28Å; L248-T302 HydrophobicContact CD1-CG2 3.86Å; S251-T302 WeakPolarHBondContact OG-CB 3.38Å; S251-T302 PolarHBondContact OG-OG1 2.84Å; V298-T302 PolarHBondContact O-N 3.31Å; V298-T302 PolarHBondContact O-OG1 2.87Å; V299-T302 PolarHBondContact O-N 3.2Å; T302-T306 WeakPolarHBondContact O-CB 3.5Å; T302-T306 PolarHBondContact O-N 3.24Å; T302-T306 PolarHBondContact O-OG1 2.89Å |
| 303 | G | 98.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V299 G300 L301 T306 F307 | V299-G303 PolarHBondContact O-N 3.02Å; G300-G303 PolarHBondContact O-N 3.23Å; L301-G303 VanDerWaalsContact C-N 3.32Å; L301-G303 PolarHBondContact O-N 3.45Å; G303-T306 WeakPolarHBondContact O-CB 3.39Å; G303-T306 PolarHBondContact O-N 3.09Å; G303-F307 PolarHBondContact O-N 3.02Å |
| 304 | F | 98.1 | Very high | 96.2 | Very high | 70 Ų | 70 | 44 Ų | 44 | 31% | 0.307 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 177 | 174.2 | -112.4 | 0 | 0 | 0 | 112.3 | G300 L301 T306 F307 L308 T315 | G300-F304 PolarHBondContact O-N 2.99Å; L301-F304 PolarHBondContact O-N 2.93Å; F304-T306 VanDerWaalsContact C-N 3.3Å; F304-T306 PolarHBondContact O-N 3.36Å; F304-F307 WeakPolarHBondContact O-CB 3.36Å; F304-F307 PolarHBondContact O-N 2.9Å; F304-L308 HydrophobicContact CD1-CD1 4.05Å; F304-L308 HydrophobicContact CE1-CD1 3.45Å; F304-L308 VanDerWaalsContact CE1-CD1 3.45Å; F304-L308 HydrophobicContact CE1-CG 4.24Å; F304-L308 HydrophobicContact CE2-CD1 4.17Å; F304-L308 HydrophobicContact CE2-CD2 4.24Å; F304-L308 HydrophobicContact CE2-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 3.53Å; F304-L308 HydrophobicContact CZ-CD2 4.2Å; F304-L308 HydrophobicContact CZ-CG 3.99Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.31Å; F304-T315 HydrophobicContact CE1-CG2 3.86Å; F304-T315 HydrophobicContact CZ-CG2 4.14Å |
| 305 | H | 98.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.3 | -30.8 | 176.7 | -82.8 | -77.9 | 0 | 0 | 0 | 112.9 | D225 Y240 F243 Y244 I247 L301 F307 L308 V309 T315 | D225-H305 IonicContact OD2-CE1 2.89Å; D225-H305 PolarHBondContact OD2-CE1 2.91Å; Y240-H305 AromaticContact CE2-ND1 3.9Å; Y240-H305 AromaticContact CZ-ND1 3.87Å; Y240-H305 PolarHBondContact OH-ND1 3.23Å; Y240-H305 VanDerWaalsContact OH-ND1 3.08Å; F243-H305 AromaticContact CE1-CD2 3.85Å; F243-H305 AromaticContact CE1-CE1 3.62Å; F243-H305 AromaticContact CE1-ND1 3.96Å; F243-H305 AromaticContact CE1-NE2 3.52Å; F243-H305 AromaticContact CZ-NE2 3.9Å; Y244-H305 HydrophobicContact CD2-CB 4.16Å; Y244-H305 HydrophobicContact CE2-CB 4.38Å; I247-H305 HydrophobicContact CD1-CB 3.78Å; L301-H305 PolarHBondContact O-CD2 2.98Å; L301-H305 PolarHBondContact O-N 3.3Å; H305-F307 VanDerWaalsContact C-N 3.34Å; H305-L308 PolarHBondContact O-N 3.37Å; H305-V309 WeakPolarHBondContact O-CB 3.08Å; H305-V309 WeakPolarHBondContact O-CG2 3.39Å; H305-V309 PolarHBondContact O-N 3.15Å; H305-T315 PolarHBondContact CE1-OG1 3.5Å; H305-T315 VanDerWaalsContact CE1-OG1 3.3Å |
| 306 | T | 98.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 173.1 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | Y244 T302 G303 F304 V309 A310 | Y244-T306 WeakPolarHBondContact CE2-OG1 3.16Å; Y244-T306 PolarHBondContact OH-OG1 3.31Å; T302-T306 WeakPolarHBondContact O-CB 3.5Å; T302-T306 PolarHBondContact O-N 3.24Å; T302-T306 PolarHBondContact O-OG1 2.89Å; G303-T306 WeakPolarHBondContact O-CB 3.39Å; G303-T306 PolarHBondContact O-N 3.09Å; F304-T306 VanDerWaalsContact C-N 3.3Å; F304-T306 PolarHBondContact O-N 3.36Å; T306-V309 PolarHBondContact O-N 3Å; T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 3.22Å |
| 307 | F | 97 | Very high | 96.4 | Very high | 107 Ų | 107 | 34 Ų | 34 | 47% | 0.469 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 172.5 | 167 | -100.6 | 0 | 0 | 0 | 112.2 | G303 F304 H305 V309 A310 L311 | G303-F307 PolarHBondContact O-N 3.02Å; F304-F307 WeakPolarHBondContact O-CB 3.36Å; F304-F307 PolarHBondContact O-N 2.9Å; H305-F307 VanDerWaalsContact C-N 3.34Å; F307-V309 VanDerWaalsContact C-N 3.35Å; F307-V309 PolarHBondContact O-N 2.75Å; F307-A310 WeakPolarHBondContact O-CB 3.25Å; F307-A310 PolarHBondContact O-N 2.88Å; F307-L311 HydrophobicContact CD1-CD1 4.4Å; F307-L311 HydrophobicContact CD2-CD1 4.25Å; F307-L311 HydrophobicContact CE1-CD1 3.72Å; F307-L311 HydrophobicContact CE2-CD1 3.55Å; F307-L311 HydrophobicContact CE2-CG 4.25Å; F307-L311 HydrophobicContact CZ-CD1 3.26Å; F307-L311 HydrophobicContact CZ-CG 4.36Å; F307-L311 PolarHBondContact O-N 3.42Å; F307-L311 VanDerWaalsContact O-N 3.15Å |
| 308 | L | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.6 | -70.6 | -178.3 | 0 | 0 | 0 | 112.7 | F304 H305 L311 N312 Q313 T315 D318 | F304-L308 HydrophobicContact CD1-CD1 4.05Å; F304-L308 HydrophobicContact CE1-CD1 3.45Å; F304-L308 VanDerWaalsContact CE1-CD1 3.45Å; F304-L308 HydrophobicContact CE1-CG 4.24Å; F304-L308 HydrophobicContact CE2-CD1 4.17Å; F304-L308 HydrophobicContact CE2-CD2 4.24Å; F304-L308 HydrophobicContact CE2-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 3.53Å; F304-L308 HydrophobicContact CZ-CD2 4.2Å; F304-L308 HydrophobicContact CZ-CG 3.99Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.31Å; H305-L308 PolarHBondContact O-N 3.37Å; L308-L311 CarbonylContact O-C 3.55Å; L308-L311 PolarHBondContact O-N 3.14Å; L308-N312 PolarHBondContact O-N 3.43Å; L308-N312 VanDerWaalsContact O-N 3.09Å; L308-Q313 WeakPolarHBondContact CB-O 3.39Å; L308-Q313 HydrophobicContact CD2-CB 4.29Å; L308-Q313 HydrophobicContact CD2-CG 4.4Å; L308-Q313 PolarHBondContact O-N 2.93Å; L308-T315 VanDerWaalsContact CD1-OG1 3.28Å; L308-T315 WeakPolarHBondContact CD1-OG1 3.21Å; L308-D318 HydrophobicContact CD2-CB 3.87Å |
| 309 | V | 96.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | Y240 Y244 H305 T306 F307 L311 N312 N341 C342 V345 L346 | Y240-V309 HydrophobicContact CE1-CG2 3.62Å; Y240-V309 WeakPolarHBondContact OH-CG2 3.37Å; Y244-V309 HydrophobicContact CD2-CG2 4.41Å; H305-V309 WeakPolarHBondContact O-CB 3.08Å; H305-V309 WeakPolarHBondContact O-CG2 3.39Å; H305-V309 PolarHBondContact O-N 3.15Å; T306-V309 PolarHBondContact O-N 3Å; F307-V309 VanDerWaalsContact C-N 3.35Å; F307-V309 PolarHBondContact O-N 2.75Å; V309-L311 PolarHBondContact O-N 3.32Å; V309-N312 PolarHBondContact O-N 3.2Å; V309-N341 WeakPolarHBondContact O-CB 3.15Å; V309-C342 HydrophobicContact CG1-CB 4.15Å; V309-V345 HydrophobicContact CG1-CB 4.15Å; V309-V345 HydrophobicContact CG1-CG1 4.37Å; V309-V345 HydrophobicContact CG2-CG1 4.14Å; V309-L346 HydrophobicContact CG1-CD1 4.21Å; V309-L346 HydrophobicContact CG1-CG 4.15Å |
| 310 | A | 96.1 | Very high | 95.9 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -29.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T306 F307 I338 N341 | T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 3.22Å; F307-A310 WeakPolarHBondContact O-CB 3.25Å; F307-A310 PolarHBondContact O-N 2.88Å; A310-I338 HydrophobicContact CB-CG1 4.36Å; A310-I338 HydrophobicContact CB-CG2 3.71Å; A310-N341 PolarHBondContact O-ND2 2.91Å |
| 311 | L | 94.2 | Very high | 95.5 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1 | 177.2 | -62.8 | -175.8 | 0 | 0 | 0 | 114.4 | F307 L308 V309 Q313 N331 | F307-L311 HydrophobicContact CD1-CD1 4.4Å; F307-L311 HydrophobicContact CD2-CD1 4.25Å; F307-L311 HydrophobicContact CE1-CD1 3.72Å; F307-L311 HydrophobicContact CE2-CD1 3.55Å; F307-L311 HydrophobicContact CE2-CG 4.25Å; F307-L311 HydrophobicContact CZ-CD1 3.26Å; F307-L311 HydrophobicContact CZ-CG 4.36Å; F307-L311 PolarHBondContact O-N 3.42Å; F307-L311 VanDerWaalsContact O-N 3.15Å; L308-L311 CarbonylContact O-C 3.55Å; L308-L311 PolarHBondContact O-N 3.14Å; V309-L311 PolarHBondContact O-N 3.32Å; L311-Q313 HydrophobicContact CB-CB 4.11Å; L311-Q313 PolarHBondContact O-N 2.96Å; L311-N331 PolarHBondContact O-ND2 2.81Å |
| 312 | N | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 43.9 | -168 | -161.7 | -6 | 0 | 0 | 0 | 112.9 | R210 R223 L308 V309 N331 Y333 N341 E344 | R210-N312 PolarHBondContact NH1-OD1 2.94Å; R210-N312 PolarHBondContact NH2-O 3.02Å; R223-N312 PolarHBondContact NH2-OD1 2.92Å; L308-N312 PolarHBondContact O-N 3.43Å; L308-N312 VanDerWaalsContact O-N 3.09Å; V309-N312 PolarHBondContact O-N 3.2Å; N312-N331 PolarHBondContact O-ND2 3.48Å; N312-Y333 PolarHBondContact ND2-O 3.46Å; N312-N341 HydrophobicContact CB-CB 4.18Å; N312-E344 PolarHBondContact ND2-OE1 2.78Å; N312-E344 VanDerWaalsContact ND2-OE1 3.12Å; N312-E344 PolarHBondContact ND2-OE2 2.69Å |
| 313 | Q | 94.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | trans | -116.8 | 147.9 | -176.8 | -166.8 | 172.1 | -58.4 | 0 | 0 | 109.7 | L308 L311 E317 D318 | L308-Q313 WeakPolarHBondContact CB-O 3.39Å; L308-Q313 HydrophobicContact CD2-CB 4.29Å; L308-Q313 HydrophobicContact CD2-CG 4.4Å; L308-Q313 PolarHBondContact O-N 2.93Å; L311-Q313 HydrophobicContact CB-CB 4.11Å; L311-Q313 PolarHBondContact O-N 2.96Å; Q313-E317 HydrophobicContact CG-CB 3.75Å; Q313-D318 PolarHBondContact NE2-OD1 3.4Å | ||
| 314 | T | 96.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | trans | -93.5 | 157.1 | 170.4 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | R223 D225 N316 E317 D318 | R223-T314 HydrophobicContact CG-CG2 3.8Å; D225-T314 WeakPolarHBondContact OD1-CA 3.45Å; D225-T314 VanDerWaalsContact OD1-CB 3.28Å; D225-T314 WeakPolarHBondContact OD1-CB 3.42Å; T314-N316 PolarHBondContact O-N 3.39Å; T314-E317 PolarHBondContact N-OE2 2.94Å; T314-E317 WeakPolarHBondContact O-CB 3.29Å; T314-E317 PolarHBondContact O-N 2.92Å; T314-E317 WeakPolarHBondContact OG1-CB 3.27Å; T314-E317 WeakPolarHBondContact OG1-CG 3.44Å; T314-E317 PolarHBondContact OG1-N 2.75Å; T314-E317 PolarHBondContact OG1-OE2 3.04Å; T314-D318 PolarHBondContact O-N 2.92Å | ||
| 315 | T | 97.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.3 | -43 | 173.6 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | D225 F304 H305 L308 E317 D318 I319 | D225-T315 PolarHBondContact OD1-N 2.95Å; D225-T315 PolarHBondContact OD1-OG1 3.39Å; D225-T315 VanDerWaalsContact OD2-CB 3.32Å; D225-T315 WeakPolarHBondContact OD2-CB 3.43Å; D225-T315 PolarHBondContact OD2-OG1 3.28Å; F304-T315 HydrophobicContact CE1-CG2 3.86Å; F304-T315 HydrophobicContact CZ-CG2 4.14Å; H305-T315 PolarHBondContact CE1-OG1 3.5Å; H305-T315 VanDerWaalsContact CE1-OG1 3.3Å; L308-T315 VanDerWaalsContact CD1-OG1 3.28Å; L308-T315 WeakPolarHBondContact CD1-OG1 3.21Å; T315-E317 VanDerWaalsContact C-N 3.3Å; T315-E317 PolarHBondContact O-N 3.24Å; T315-D318 WeakPolarHBondContact O-CB 3.22Å; T315-D318 PolarHBondContact O-N 3.3Å; T315-I319 HydrophobicContact CG2-CD1 3.77Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 WeakPolarHBondContact O-CG1 3.46Å; T315-I319 PolarHBondContact O-N 2.86Å |
| 316 | N | 95.7 | Very high | 89.4 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -34 | 176.4 | 171.2 | 79.1 | 0 | 0 | 0 | 113.1 | F224 D225 T314 K320 | F224-N316 HydrophobicContact CD1-CB 4.02Å; F224-N316 HydrophobicContact CE1-CB 4.36Å; D225-N316 VanDerWaalsContact O-CB 3.28Å; D225-N316 WeakPolarHBondContact O-CB 3.29Å; D225-N316 PolarHBondContact O-N 2.73Å; T314-N316 PolarHBondContact O-N 3.39Å; N316-K320 VanDerWaalsContact CG-NZ 3.31Å; N316-K320 PolarHBondContact ND2-NZ 2.94Å; N316-K320 WeakPolarHBondContact O-CB 3.34Å; N316-K320 WeakPolarHBondContact O-CD 3.46Å; N316-K320 VanDerWaalsContact O-CG 3.25Å; N316-K320 WeakPolarHBondContact O-CG 3.43Å; N316-K320 PolarHBondContact O-N 3.07Å; N316-K320 WeakPolarHBondContact OD1-CE 3.27Å; N316-K320 PolarHBondContact OD1-NZ 3.24Å |
| 317 | E | 93.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 175.8 | -76.4 | 159.4 | 163.2 | 0 | 0 | 111.7 | R210 Q313 T314 T315 G321 S322 | R210-E317 WeakPolarHBondContact CD-OE1 3.44Å; R210-E317 WeakPolarHBondContact CG-OE1 3.46Å; R210-E317 IonicContact CZ-OE1 2.97Å; R210-E317 IonicContact CZ-OE2 2.79Å; R210-E317 IonicContact NE-OE1 3.59Å; R210-E317 PolarHBondContact NE-OE1 2.86Å; R210-E317 IonicContact NE-OE2 3.64Å; R210-E317 IonicContact NH2-OE1 2.64Å; R210-E317 IonicContact NH2-OE2 3.08Å; R210-E317 PolarHBondContact NH2-OE2 3.43Å; Q313-E317 HydrophobicContact CG-CB 3.75Å; T314-E317 PolarHBondContact N-OE2 2.94Å; T314-E317 WeakPolarHBondContact O-CB 3.29Å; T314-E317 PolarHBondContact O-N 2.92Å; T314-E317 WeakPolarHBondContact OG1-CB 3.27Å; T314-E317 WeakPolarHBondContact OG1-CG 3.44Å; T314-E317 PolarHBondContact OG1-N 2.75Å; T314-E317 PolarHBondContact OG1-OE2 3.04Å; T315-E317 VanDerWaalsContact C-N 3.3Å; T315-E317 PolarHBondContact O-N 3.24Å; E317-G321 PolarHBondContact O-N 3.38Å; E317-S322 WeakPolarHBondContact CA-OG 3.43Å; E317-S322 WeakPolarHBondContact O-CB 3.22Å; E317-S322 PolarHBondContact O-N 2.86Å; E317-S322 PolarHBondContact O-OG 2.78Å |
| 318 | D | 93.4 | Very high | 85.5 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.7 | -52.8 | 177.3 | -167.2 | 59.8 | 0 | 0 | 0 | 112.6 | L308 Q313 T314 T315 K320 G321 | L308-D318 HydrophobicContact CD2-CB 3.87Å; Q313-D318 PolarHBondContact NE2-OD1 3.4Å; T314-D318 PolarHBondContact O-N 2.92Å; T315-D318 WeakPolarHBondContact O-CB 3.22Å; T315-D318 PolarHBondContact O-N 3.3Å; D318-K320 PolarHBondContact O-N 2.97Å; D318-G321 WeakPolarHBondContact O-CA 3.25Å; D318-G321 PolarHBondContact O-N 3.36Å |
| 319 | I | 92.9 | Very high | 84.5 | Confident | 134 Ų | 134 | 65.9 Ų | 65.9 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.8 | -35.5 | -179.9 | -67.7 | 171.5 | 0 | 0 | 0 | 111.3 | T315 G321 | T315-I319 HydrophobicContact CG2-CD1 3.77Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 WeakPolarHBondContact O-CG1 3.46Å; T315-I319 PolarHBondContact O-N 2.86Å; I319-G321 PolarHBondContact O-N 3.38Å |
| 320 | K | 89.8 | Confident | 83.8 | Confident | 118 Ų | 118 | 72.5 Ų | 72.5 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.8 | 176.4 | -74.1 | 174.1 | 179.6 | 159.9 | 0 | 113.3 | N316 D318 S322 | N316-K320 VanDerWaalsContact CG-NZ 3.31Å; N316-K320 PolarHBondContact ND2-NZ 2.94Å; N316-K320 WeakPolarHBondContact O-CB 3.34Å; N316-K320 WeakPolarHBondContact O-CD 3.46Å; N316-K320 VanDerWaalsContact O-CG 3.25Å; N316-K320 WeakPolarHBondContact O-CG 3.43Å; N316-K320 PolarHBondContact O-N 3.07Å; N316-K320 WeakPolarHBondContact OD1-CE 3.27Å; N316-K320 PolarHBondContact OD1-NZ 3.24Å; D318-K320 PolarHBondContact O-N 2.97Å; K320-S322 PolarHBondContact O-N 3.48Å |
| 321 | G | 88.2 | Confident | 83.4 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 29% | 0.289 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 34.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E317 D318 I319 W323 T324 | E317-G321 PolarHBondContact O-N 3.38Å; D318-G321 WeakPolarHBondContact O-CA 3.25Å; D318-G321 PolarHBondContact O-N 3.36Å; I319-G321 PolarHBondContact O-N 3.38Å; G321-W323 PolarHBondContact O-N 3.36Å; G321-W323 VanDerWaalsContact O-N 3.09Å; G321-T324 VanDerWaalsContact CA-OG1 3.27Å; G321-T324 WeakPolarHBondContact CA-OG1 3.33Å; G321-T324 PolarHBondContact O-N 2.9Å |
| 322 | S | 85.6 | Confident | 83.1 | Confident | 52 Ų | 52 | 70 Ų | 70 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -60.6 | -27.9 | -169.8 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | E317 K320 | E317-S322 WeakPolarHBondContact CA-OG 3.43Å; E317-S322 WeakPolarHBondContact O-CB 3.22Å; E317-S322 PolarHBondContact O-N 2.86Å; E317-S322 PolarHBondContact O-OG 2.78Å; K320-S322 PolarHBondContact O-N 3.48Å |
| 323 | W | 84.1 | Confident | 82.9 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 20% | 0.201 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -124.7 | -1.2 | -176.2 | -44.1 | 113.9 | 0 | 0 | 0 | 112.9 | G321 V329 N331 P332 Y333 | G321-W323 PolarHBondContact O-N 3.36Å; G321-W323 VanDerWaalsContact O-N 3.09Å; W323-V329 HydrophobicContact CE3-CG1 4.46Å; W323-V329 HydrophobicContact CZ3-CG1 4.25Å; W323-N331 HydrophobicContact CB-CB 4.4Å; W323-N331 HydrophobicContact CD2-CB 4.07Å; W323-N331 HydrophobicContact CE3-CB 4.48Å; W323-N331 HydrophobicContact CG-CB 4.01Å; W323-P332 HydrophobicContact CH2-CG 3.78Å; W323-P332 HydrophobicContact CZ3-CG 4Å; W323-Y333 HydrophobicContact CH2-CD2 4.42Å; W323-Y333 AromaticContact CH2-CE2 4Å; W323-Y333 HydrophobicContact CH2-CE2 4Å; W323-Y333 AromaticContact CZ2-CD2 3.95Å; W323-Y333 HydrophobicContact CZ2-CD2 3.95Å; W323-Y333 AromaticContact CZ2-CE2 3.71Å; W323-Y333 HydrophobicContact CZ2-CE2 3.71Å |
| 324 | T | 72.1 | Confident | 82.7 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 56% | 0.564 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -111.5 | 100.7 | -178.4 | 50.5 | 0 | 0 | 0 | 0 | 108.9 | G321 | G321-T324 VanDerWaalsContact CA-OG1 3.27Å; G321-T324 WeakPolarHBondContact CA-OG1 3.33Å; G321-T324 PolarHBondContact O-N 2.9Å |
| 325 | G | 64.3 | Low | 82.4 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 170.7 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | N327 R328 | G325-N327 PolarHBondContact O-N 3.16Å; G325-R328 PolarHBondContact O-N 2.92Å; G325-R328 VanDerWaalsContact O-N 3.07Å |
| 326 | K | 54.2 | Low | 82 | Confident | 216 Ų | 216 | 80.4 Ų | 80.4 | 94% | 0.939 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -22.1 | -174.1 | -74.8 | -179.4 | 177.1 | 177.8 | 0 | 115.2 | ||
| 327 | N | 55.7 | Low | 81.9 | Confident | 144 Ų | 144 | 82.7 Ų | 82.7 | 77% | 0.77 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.5 | -178.9 | -71.5 | -14.6 | 0 | 0 | 0 | 114.9 | G325 V329 | G325-N327 PolarHBondContact O-N 3.16Å; N327-V329 HydrophobicContact CB-CG2 4.1Å; N327-V329 PolarHBondContact O-N 3.37Å |
| 328 | R | 59.1 | Low | 81.9 | Confident | 232 Ų | 232 | 87.5 Ų | 87.5 | 88% | 0.875 | 47% | 0.465 | S | S | * | . | trans | 45 | 32.7 | 176.4 | -65.4 | -175 | 174.1 | -124.9 | 1.2 | 114.3 | G325 Q330 | G325-R328 PolarHBondContact O-N 2.92Å; G325-R328 VanDerWaalsContact O-N 3.07Å; R328-Q330 PolarHBondContact O-N 3.04Å | ||
| 329 | V | 74.3 | Confident | 82 | Confident | 67 Ų | 67 | 89.9 Ų | 89.9 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | trans | -74 | 105.3 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | W323 N327 N331 | W323-V329 HydrophobicContact CE3-CG1 4.46Å; W323-V329 HydrophobicContact CZ3-CG1 4.25Å; N327-V329 HydrophobicContact CB-CG2 4.1Å; N327-V329 PolarHBondContact O-N 3.37Å; V329-N331 PolarHBondContact O-N 2.83Å | ||
| 330 | Q | 81.9 | Confident | 82.1 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 66% | 0.659 | 48% | 0.476 | S | S | * | . | trans | -60.8 | 135.7 | 176.2 | -177.2 | 171.5 | 2.4 | 0 | 0 | 109.1 | Q193 R328 P332 | Q193-Q330 PolarHBondContact NE2-O 3.28Å; Q193-Q330 PolarHBondContact OE1-O 2.71Å; R328-Q330 PolarHBondContact O-N 3.04Å; Q330-P332 WeakPolarHBondContact O-CD 3.35Å | ||
| 331 | N | 88.6 | Confident | 82.4 | Confident | 15 Ų | 15 | 84.3 Ų | 84.3 | 8% | 0.08 | 45% | 0.452 | C | S | . | . | trans | -54 | 109.4 | 177.6 | 178.6 | 4.2 | 0 | 0 | 0 | 110 | L311 N312 W323 V329 Y333 S334 | L311-N331 PolarHBondContact O-ND2 2.81Å; N312-N331 PolarHBondContact O-ND2 3.48Å; W323-N331 HydrophobicContact CB-CB 4.4Å; W323-N331 HydrophobicContact CD2-CB 4.07Å; W323-N331 HydrophobicContact CE3-CB 4.48Å; W323-N331 HydrophobicContact CG-CB 4.01Å; V329-N331 PolarHBondContact O-N 2.83Å; N331-Y333 PolarHBondContact O-N 3.42Å; N331-Y333 VanDerWaalsContact O-N 3.16Å; N331-Y333 WeakPolarHBondContact OD1-CB 3.43Å; N331-Y333 VanDerWaalsContact OD1-CD2 3.27Å; N331-Y333 WeakPolarHBondContact OD1-CD2 3.33Å; N331-Y333 PolarHBondContact OD1-N 2.86Å; N331-S334 PolarHBondContact O-N 3.21Å; N331-S334 VanDerWaalsContact O-N 3.07Å | ||
| 332 | P | 88.9 | Confident | 82.7 | Confident | 13 Ų | 13 | 84.5 Ų | 84.5 | 8% | 0.084 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.9 | -175.5 | 28.1 | -33.9 | 0 | 0 | 0 | 112.8 | N191 W323 Q330 | N191-P332 PolarHBondContact ND2-O 3.15Å; W323-P332 HydrophobicContact CH2-CG 3.78Å; W323-P332 HydrophobicContact CZ3-CG 4Å; Q330-P332 WeakPolarHBondContact O-CD 3.35Å |
| 333 | Y | 89.9 | Confident | 83.1 | Confident | 38 Ų | 38 | 85 Ų | 85 | 15% | 0.149 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.3 | 176.7 | -51.5 | -74.5 | 0 | 0 | 0 | 112.4 | I190 P209 R210 N312 W323 N331 | I190-Y333 HydrophobicContact CD1-CE1 4.05Å; I190-Y333 WeakPolarHBondContact CD1-OH 3.25Å; I190-Y333 HydrophobicContact CG2-CE1 4.25Å; P209-Y333 VanDerWaalsContact CB-OH 3.27Å; P209-Y333 WeakPolarHBondContact CB-OH 3.47Å; R210-Y333 HydrophobicContact CG-CD2 4.45Å; R210-Y333 HydrophobicContact CG-CE1 4.22Å; R210-Y333 HydrophobicContact CG-CE2 3.75Å; N312-Y333 PolarHBondContact ND2-O 3.46Å; W323-Y333 HydrophobicContact CH2-CD2 4.42Å; W323-Y333 AromaticContact CH2-CE2 4Å; W323-Y333 HydrophobicContact CH2-CE2 4Å; W323-Y333 AromaticContact CZ2-CD2 3.95Å; W323-Y333 HydrophobicContact CZ2-CD2 3.95Å; W323-Y333 AromaticContact CZ2-CE2 3.71Å; W323-Y333 HydrophobicContact CZ2-CE2 3.71Å; N331-Y333 PolarHBondContact O-N 3.42Å; N331-Y333 VanDerWaalsContact O-N 3.16Å; N331-Y333 WeakPolarHBondContact OD1-CB 3.43Å; N331-Y333 VanDerWaalsContact OD1-CD2 3.27Å; N331-Y333 WeakPolarHBondContact OD1-CD2 3.33Å; N331-Y333 PolarHBondContact OD1-N 2.86Å |
| 334 | S | 91.6 | Very high | 83.5 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | trans | -78.7 | 133.9 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | N331 G336 N341 | N331-S334 PolarHBondContact O-N 3.21Å; N331-S334 VanDerWaalsContact O-N 3.07Å; S334-G336 PolarHBondContact O-N 3.37Å; S334-G336 PolarHBondContact OG-N 3.08Å; S334-N341 PolarHBondContact OG-ND2 3.36Å; S334-N341 VanDerWaalsContact OG-ND2 3.07Å | ||
| 335 | H | 89.2 | Confident | 84.6 | Confident | 113 Ų | 113 | 82.1 Ų | 82.1 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | trans | -81.3 | 4.7 | 172 | -70.9 | -67.8 | 0 | 0 | 0 | 113.6 | N337 K340 N341 E344 | H335-N337 PolarHBondContact O-N 3.08Å; H335-K340 HydrophobicContact CB-CB 3.9Å; H335-K340 HydrophobicContact CB-CD 4.34Å; H335-N341 WeakPolarHBondContact CB-OD1 3.23Å; H335-N341 PolarHBondContact N-OD1 3.43Å; H335-E344 IonicContact CD2-OE2 3.25Å; H335-E344 PolarHBondContact CD2-OE2 3.21Å; H335-E344 IonicContact NE2-OE2 2.71Å; H335-E344 PolarHBondContact NE2-OE2 3.29Å | ||
| 336 | G | 88.1 | Confident | 86 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 66% | 0.66 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 68.7 | -1.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S334 | S334-G336 PolarHBondContact O-N 3.37Å; S334-G336 PolarHBondContact OG-N 3.08Å |
| 337 | N | 93.6 | Very high | 87.9 | Confident | 72 Ų | 72 | 76 Ų | 76 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | trans | -126.3 | 123.9 | 178.8 | -179.4 | -67.5 | 0 | 0 | 0 | 109.7 | H335 V339 K340 N341 | H335-N337 PolarHBondContact O-N 3.08Å; N337-V339 VanDerWaalsContact C-N 3.32Å; N337-V339 PolarHBondContact O-N 2.77Å; N337-V339 WeakPolarHBondContact OD1-CA 3.24Å; N337-V339 WeakPolarHBondContact OD1-CB 3.25Å; N337-V339 PolarHBondContact OD1-N 3.48Å; N337-K340 HydrophobicContact CB-CB 4.12Å; N337-K340 HydrophobicContact CB-CD 4.17Å; N337-K340 HydrophobicContact CB-CG 4.07Å; N337-K340 PolarHBondContact O-N 2.92Å; N337-K340 PolarHBondContact OD1-N 2.98Å; N337-N341 PolarHBondContact O-N 3.49Å | ||
| 338 | I | 95.1 | Very high | 89.5 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.6 | -44.7 | -176.8 | -64.6 | 170.7 | 0 | 0 | 0 | 111.3 | A310 N341 C342 | A310-I338 HydrophobicContact CB-CG1 4.36Å; A310-I338 HydrophobicContact CB-CG2 3.71Å; I338-N341 PolarHBondContact O-N 2.91Å; I338-C342 WeakPolarHBondContact O-CB 3.45Å; I338-C342 PolarHBondContact O-N 2.64Å; I338-C342 PolarHBondContact O-SG 2.89Å |
| 339 | V | 95.1 | Very high | 90.9 | Very high | 97 Ų | 97 | 64 Ų | 64 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | -178.6 | -178 | 0 | 0 | 0 | 0 | 110.5 | N337 N341 C342 C343 | N337-V339 VanDerWaalsContact C-N 3.32Å; N337-V339 PolarHBondContact O-N 2.77Å; N337-V339 WeakPolarHBondContact OD1-CA 3.24Å; N337-V339 WeakPolarHBondContact OD1-CB 3.25Å; N337-V339 PolarHBondContact OD1-N 3.48Å; V339-N341 VanDerWaalsContact C-N 3.34Å; V339-N341 PolarHBondContact O-N 3.39Å; V339-C342 PolarHBondContact O-N 2.9Å; V339-C343 WeakPolarHBondContact O-CB 3.17Å; V339-C343 PolarHBondContact O-N 3.41Å; V339-C343 PolarHBondContact O-SG 3.05Å |
| 340 | K | 94.4 | Very high | 91.5 | Very high | 132 Ų | 132 | 63.9 Ų | 63.9 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 176.3 | -69.5 | -172.6 | 178.1 | 179.9 | 0 | 111.7 | H335 N337 C343 E344 | H335-K340 HydrophobicContact CB-CB 3.9Å; H335-K340 HydrophobicContact CB-CD 4.34Å; N337-K340 HydrophobicContact CB-CB 4.12Å; N337-K340 HydrophobicContact CB-CD 4.17Å; N337-K340 HydrophobicContact CB-CG 4.07Å; N337-K340 PolarHBondContact O-N 2.92Å; N337-K340 PolarHBondContact OD1-N 2.98Å; K340-C343 PolarHBondContact O-N 3.3Å; K340-E344 WeakPolarHBondContact O-CB 3.31Å; K340-E344 PolarHBondContact O-N 3.01Å |
| 341 | N | 95.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.011 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 175.8 | -70.1 | -14.4 | 0 | 0 | 0 | 111.2 | V309 A310 N312 S334 H335 N337 I338 V339 C343 E344 V345 | V309-N341 WeakPolarHBondContact O-CB 3.15Å; A310-N341 PolarHBondContact O-ND2 2.91Å; N312-N341 HydrophobicContact CB-CB 4.18Å; S334-N341 PolarHBondContact OG-ND2 3.36Å; S334-N341 VanDerWaalsContact OG-ND2 3.07Å; H335-N341 WeakPolarHBondContact CB-OD1 3.23Å; H335-N341 PolarHBondContact N-OD1 3.43Å; N337-N341 PolarHBondContact O-N 3.49Å; I338-N341 PolarHBondContact O-N 2.91Å; V339-N341 VanDerWaalsContact C-N 3.34Å; V339-N341 PolarHBondContact O-N 3.39Å; N341-C343 PolarHBondContact O-N 3.44Å; N341-E344 PolarHBondContact O-N 3.1Å; N341-V345 VanDerWaalsContact O-CG2 3.29Å; N341-V345 WeakPolarHBondContact O-CG2 3.43Å; N341-V345 PolarHBondContact O-N 3.44Å |
| 342 | C | 95 | Very high | 91.8 | Very high | 32 Ų | 32 | 63.6 Ų | 63.6 | 22% | 0.216 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59 | -45.7 | 176.2 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | V309 I338 V339 V345 L346 | V309-C342 HydrophobicContact CG1-CB 4.15Å; I338-C342 WeakPolarHBondContact O-CB 3.45Å; I338-C342 PolarHBondContact O-N 2.64Å; I338-C342 PolarHBondContact O-SG 2.89Å; V339-C342 PolarHBondContact O-N 2.9Å; C342-V345 PolarHBondContact O-N 3.5Å; C342-L346 VanDerWaalsContact O-CB 3.25Å; C342-L346 WeakPolarHBondContact O-CB 3.47Å; C342-L346 WeakPolarHBondContact O-CG 3.37Å; C342-L346 PolarHBondContact O-N 2.82Å |
| 343 | C | 94.8 | Very high | 92 | Very high | 64 Ų | 64 | 65 Ų | 65 | 43% | 0.432 | 39% | 0.386 | S | S | . | . | I | π-helix | trans | -64.4 | -41.8 | 178.8 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | V339 K340 N341 V345 C347 G348 | V339-C343 WeakPolarHBondContact O-CB 3.17Å; V339-C343 PolarHBondContact O-N 3.41Å; V339-C343 PolarHBondContact O-SG 3.05Å; K340-C343 PolarHBondContact O-N 3.3Å; N341-C343 PolarHBondContact O-N 3.44Å; C343-V345 PolarHBondContact O-N 3.07Å; C343-C347 CarbonylContact O-C 3.58Å; C343-C347 VanDerWaalsContact O-C 3.27Å; C343-C347 VanDerWaalsContact O-CA 3.23Å; C343-C347 WeakPolarHBondContact O-CA 3.35Å; C343-C347 VanDerWaalsContact O-CB 3.26Å; C343-C347 WeakPolarHBondContact O-CB 3.47Å; C343-C347 PolarHBondContact O-N 3.2Å; C343-G348 PolarHBondContact O-N 3.36Å |
| 344 | E | 93.1 | Very high | 91.9 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 33% | 0.332 | 41% | 0.407 | S | S | . | . | I | π-helix | trans | -61.1 | -45.8 | 176.9 | -172.6 | -159 | 143.8 | 0 | 0 | 111.3 | N312 H335 K340 N341 G348 | N312-E344 PolarHBondContact ND2-OE1 2.78Å; N312-E344 VanDerWaalsContact ND2-OE1 3.12Å; N312-E344 PolarHBondContact ND2-OE2 2.69Å; H335-E344 IonicContact CD2-OE2 3.25Å; H335-E344 PolarHBondContact CD2-OE2 3.21Å; H335-E344 IonicContact NE2-OE2 2.71Å; H335-E344 PolarHBondContact NE2-OE2 3.29Å; K340-E344 WeakPolarHBondContact O-CB 3.31Å; K340-E344 PolarHBondContact O-N 3.01Å; N341-E344 PolarHBondContact O-N 3.1Å; E344-G348 WeakPolarHBondContact O-CA 3.49Å; E344-G348 PolarHBondContact O-N 2.88Å |
| 345 | V | 93.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 69.4 Ų | 69.4 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | I | π-helix | trans | -76.3 | -42.8 | -175.2 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | Y240 V309 N341 C342 C343 | Y240-V345 HydrophobicContact CD1-CG1 3.71Å; Y240-V345 HydrophobicContact CE1-CG1 3.71Å; V309-V345 HydrophobicContact CG1-CB 4.15Å; V309-V345 HydrophobicContact CG1-CG1 4.37Å; V309-V345 HydrophobicContact CG2-CG1 4.14Å; N341-V345 VanDerWaalsContact O-CG2 3.29Å; N341-V345 WeakPolarHBondContact O-CG2 3.43Å; N341-V345 PolarHBondContact O-N 3.44Å; C342-V345 PolarHBondContact O-N 3.5Å; C343-V345 PolarHBondContact O-N 3.07Å |
| 346 | L | 94.6 | Very high | 91.4 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | I | π-helix | trans | -95.5 | -36.1 | -171.6 | -57.8 | 179.5 | 0 | 0 | 0 | 112.9 | Y244 V309 C342 | Y244-L346 HydrophobicContact CD1-CD1 3.86Å; Y244-L346 HydrophobicContact CD1-CD2 3.48Å; Y244-L346 VanDerWaalsContact CD1-CD2 3.48Å; Y244-L346 HydrophobicContact CD1-CG 4.34Å; Y244-L346 HydrophobicContact CE1-CD1 3.62Å; Y244-L346 HydrophobicContact CE1-CD2 4.11Å; Y244-L346 HydrophobicContact CG-CD2 3.77Å; V309-L346 HydrophobicContact CG1-CD1 4.21Å; V309-L346 HydrophobicContact CG1-CG 4.15Å; C342-L346 VanDerWaalsContact O-CB 3.25Å; C342-L346 WeakPolarHBondContact O-CB 3.47Å; C342-L346 WeakPolarHBondContact O-CG 3.37Å; C342-L346 PolarHBondContact O-N 2.82Å |
| 347 | C | 93.8 | Very high | 90.8 | Very high | 99 Ų | 99 | 75.2 Ų | 75.2 | 67% | 0.669 | 42% | 0.419 | S | S | * | . | I | π-helix | trans | -109.4 | -5.1 | -174.4 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | C343 | C343-C347 CarbonylContact O-C 3.58Å; C343-C347 VanDerWaalsContact O-C 3.27Å; C343-C347 VanDerWaalsContact O-CA 3.23Å; C343-C347 WeakPolarHBondContact O-CA 3.35Å; C343-C347 VanDerWaalsContact O-CB 3.26Å; C343-C347 WeakPolarHBondContact O-CB 3.47Å; C343-C347 PolarHBondContact O-N 3.2Å |
| 348 | G | 88.6 | Confident | 90.1 | Very high | 12 Ų | 12 | 82.9 Ų | 82.9 | 12% | 0.124 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -61.2 | 156.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | R241 C343 E344 L350 | R241-G348 VanDerWaalsContact CZ-O 3.27Å; R241-G348 PolarHBondContact NH1-O 3.32Å; R241-G348 PolarHBondContact NH2-O 3.4Å; C343-G348 PolarHBondContact O-N 3.36Å; E344-G348 WeakPolarHBondContact O-CA 3.49Å; E344-G348 PolarHBondContact O-N 2.88Å; G348-L350 PolarHBondContact O-N 3.39Å |
| 349 | P | 89.2 | Confident | 89.1 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 73% | 0.734 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 136.3 | 175.5 | 25 | -33 | 0 | 0 | 0 | 110.1 | P351 | P349-P351 WeakPolarHBondContact O-CD 3.46Š|
| 350 | L | 87.9 | Confident | 87.9 | Confident | 63 Ų | 63 | 82.6 Ų | 82.6 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 119.4 | 173.7 | -173.1 | 67.5 | 0 | 0 | 0 | 107.4 | R238 G348 | R238-L350 HydrophobicContact CB-CD1 4.25Å; R238-L350 WeakPolarHBondContact O-CD1 3.46Å; G348-L350 PolarHBondContact O-N 3.39Å |
| 351 | P | 86.9 | Confident | 86.5 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 25% | 0.253 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 164 | 174.7 | 24.7 | -34.4 | 0 | 0 | 0 | 110.4 | K237 R238 P349 | K237-P351 HydrophobicContact CD-CG 4.15Å; K237-P351 HydrophobicContact CG-CG 4.49Å; R238-P351 HydrophobicContact CG-CG 4.28Å; R238-P351 PolarHBondContact NH1-O 2.98Å; P349-P351 WeakPolarHBondContact O-CD 3.46Å |
| 352 | P | 89.9 | Confident | 84.9 | Confident | 111 Ų | 111 | 89 Ų | 89 | 72% | 0.721 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 160 | 169.5 | 29.3 | -33.6 | 0 | 0 | 0 | 111.6 | R238 | R238-P352 PolarHBondContact NH1-O 2.79Š|
| 353 | S | 91.4 | Very high | 83.3 | Confident | 42 Ų | 42 | 95.4 Ų | 95.4 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 138.3 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 108 | D149 R238 L355 | D149-S353 WeakPolarHBondContact OD2-CB 3.24Å; D149-S353 PolarHBondContact OD2-OG 3.04Å; R238-S353 VanDerWaalsContact NH1-N 3.13Å; S353-L355 VanDerWaalsContact C-N 3.3Å; S353-L355 PolarHBondContact OG-N 3.05Å |
| 354 | V | 89.8 | Confident | 81.4 | Confident | 97 Ų | 97 | 101.1 Ų | 101.1 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | trans | -88.6 | -4.4 | 173.8 | -65.5 | 0 | 0 | 0 | 0 | 112 | V152 P154 | V152-V354 VanDerWaalsContact O-CG2 3.25Å; V152-V354 WeakPolarHBondContact O-CG2 3.28Å; P154-V354 HydrophobicContact CG-CB 4.47Å; P154-V354 HydrophobicContact CG-CG2 4.11Å | ||
| 355 | L | 86.6 | Confident | 79.1 | Confident | 67 Ų | 67 | 106.9 Ų | 106.9 | 35% | 0.351 | 57% | 0.571 | S | S | . | * | trans | -85.3 | 120.5 | 176.1 | -63.7 | -177 | 0 | 0 | 0 | 110.4 | V152 P154 S353 R357 | V152-L355 HydrophobicContact CB-CD1 3.91Å; V152-L355 HydrophobicContact CB-CD2 4.32Å; V152-L355 HydrophobicContact CB-CG 4.33Å; V152-L355 HydrophobicContact CG1-CD1 4.36Å; V152-L355 HydrophobicContact CG1-CD2 4.11Å; V152-L355 HydrophobicContact CG2-CD1 4.43Å; P154-L355 HydrophobicContact CG-CD2 4.45Å; S353-L355 VanDerWaalsContact C-N 3.3Å; S353-L355 PolarHBondContact OG-N 3.05Å; L355-R357 PolarHBondContact O-N 3.26Å | ||
| 356 | D | 82.1 | Confident | 76.8 | Confident | 119 Ų | 119 | 111.9 Ų | 111.9 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | trans | -78.8 | 98.4 | 164.9 | -174.2 | 3.6 | 0 | 0 | 0 | 110.1 | R358 G359 | D356-R358 PolarHBondContact O-N 3.44Å; D356-R358 PolarHBondContact OD1-N 3.16Å; D356-G359 PolarHBondContact O-N 3.31Å; D356-G359 PolarHBondContact OD1-N 2.96Å; D356-G359 VanDerWaalsContact OD1-N 3.07Å; D356-G359 WeakPolarHBondContact OD2-CA 3.22Å; D356-G359 PolarHBondContact OD2-N 3.03Å | ||
| 357 | R | 76.4 | Confident | 74.6 | Confident | 181 Ų | 181 | 113.5 Ų | 113.5 | 68% | 0.683 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -16.9 | 177.7 | -65.6 | -178.2 | 179.5 | -165.6 | -6.3 | 113.4 | L355 | L355-R357 PolarHBondContact O-N 3.26Š|
| 358 | R | 79.5 | Confident | 71.8 | Confident | 232 Ų | 232 | 114.5 Ų | 114.5 | 88% | 0.875 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 1.1 | -176.6 | -63.4 | -178.6 | -179.2 | 179.8 | 0.2 | 112.2 | D356 | D356-R358 PolarHBondContact O-N 3.44Å; D356-R358 PolarHBondContact OD1-N 3.16Å |
| 359 | G | 72.6 | Confident | 69.3 | Low | 39 Ų | 39 | 125.1 Ų | 125.1 | 40% | 0.402 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 136.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D356 | D356-G359 PolarHBondContact O-N 3.31Å; D356-G359 PolarHBondContact OD1-N 2.96Å; D356-G359 VanDerWaalsContact OD1-N 3.07Å; D356-G359 WeakPolarHBondContact OD2-CA 3.22Å; D356-G359 PolarHBondContact OD2-N 3.03Å |
| 360 | I | 69.9 | Low | 66.8 | Low | 163 Ų | 163 | 124.9 Ų | 124.9 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 120.3 | 171.2 | -59.6 | 172.3 | 0 | 0 | 0 | 106.2 | P362 | I360-P362 WeakPolarHBondContact O-CD 3.16Š|
| 361 | L | 65.3 | Low | 64.2 | Low | 152 Ų | 152 | 128 Ų | 128 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 124.9 | 170.6 | -67.7 | 174.5 | 0 | 0 | 0 | 107.8 | L363 | L361-L363 PolarHBondContact O-N 3.16Å; L361-L363 VanDerWaalsContact O-N 3.14Å |
| 362 | P | 62.3 | Low | 61.7 | Low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 124.7 | 168.3 | -20.8 | 31.9 | 0 | 0 | 0 | 107.7 | I360 E364 | I360-P362 WeakPolarHBondContact O-CD 3.16Å; P362-E364 PolarHBondContact O-N 3.19Å; P362-E364 VanDerWaalsContact O-N 3.15Å |
| 363 | L | 60.4 | Low | 58.9 | Low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 121.1 | 170.5 | -70.7 | 170.3 | 0 | 0 | 0 | 106.1 | L361 E365 | L361-L363 PolarHBondContact O-N 3.16Å; L361-L363 VanDerWaalsContact O-N 3.14Å; L363-E365 PolarHBondContact O-N 3.36Å |
| 364 | E | 56.8 | Low | 56.1 | Low | 184 Ų | 184 | 139.2 Ų | 139.2 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -57.2 | 111.7 | 171.3 | -67 | -146.1 | 141.8 | 0 | 0 | 107.6 | P362 S366 | P362-E364 PolarHBondContact O-N 3.19Å; P362-E364 VanDerWaalsContact O-N 3.15Å; E364-S366 VanDerWaalsContact C-N 3.31Å; E364-S366 PolarHBondContact O-N 3.29Å | ||
| 365 | E | 44.2 | Very low | 53.4 | Low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -68.4 | 98.2 | 175 | -154.5 | 171 | -163.2 | 0 | 0 | 106.4 | L363 G367 | L363-E365 PolarHBondContact O-N 3.36Å; E365-G367 PolarHBondContact O-N 2.99Å | ||
| 366 | S | 44.6 | Very low | 50.6 | Low | 118 Ų | 118 | 146.5 Ų | 146.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -58.3 | 101.1 | 177.9 | 54.6 | 0 | 0 | 0 | 0 | 110 | E364 | E364-S366 VanDerWaalsContact C-N 3.31Å; E364-S366 PolarHBondContact O-N 3.29Å | ||
| 367 | G | 49.2 | Very low | 48.1 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 80.7 | 85.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | E365 | E365-G367 PolarHBondContact O-N 2.99Š| ||
| 368 | S | 34.1 | Very low | 46.1 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -102 | 103.3 | 146.5 | 60.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 369 | R | 36.3 | Very low | 43.7 | Very low | 235 Ų | 235 | 136.8 Ų | 136.8 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 139.3 | 168.9 | -162.1 | 177.3 | -167.6 | -176.6 | 2.1 | 109.1 | ||
| 370 | P | 37 | Very low | 41.7 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 145.8 | 173.8 | 25.8 | -32 | 0 | 0 | 0 | 109.7 | S372 | P370-S372 PolarHBondContact O-N 3.13Å; P370-S372 VanDerWaalsContact O-N 3.16Å |
| 371 | P | 33.3 | Very low | 39.6 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.2 | -179.9 | 24.8 | -30.6 | 0 | 0 | 0 | 109.2 | T373 | P371-T373 PolarHBondContact O-N 3.19Š|
| 372 | S | 33.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63 | 121.6 | 169.5 | 52.5 | 0 | 0 | 0 | 0 | 108.7 | P370 Q374 | P370-S372 PolarHBondContact O-N 3.13Å; P370-S372 VanDerWaalsContact O-N 3.16Å; S372-Q374 PolarHBondContact O-N 3.21Å |
| 373 | T | 33.1 | Very low | 36.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 119 | 167.2 | -33.7 | 0 | 0 | 0 | 0 | 108.9 | P371 E375 | P371-T373 PolarHBondContact O-N 3.19Å; T373-E375 PolarHBondContact O-N 3.26Å; T373-E375 VanDerWaalsContact O-N 3.13Å |
| 374 | Q | 31 | Very low | 35 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -69.2 | 104.6 | 170.1 | -76.5 | -177.2 | -14.3 | 0 | 0 | 107.9 | S372 T376 | S372-Q374 PolarHBondContact O-N 3.21Å; Q374-T376 PolarHBondContact O-N 3.09Å | ||
| 375 | E | 32.7 | Very low | 33.9 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -76.5 | 111.2 | 156.2 | -73.3 | -167 | 163.3 | 0 | 0 | 108 | T373 S377 | T373-E375 PolarHBondContact O-N 3.26Å; T373-E375 VanDerWaalsContact O-N 3.13Å; E375-S377 PolarHBondContact O-N 3.42Å; E375-S377 VanDerWaalsContact O-N 3.09Å | ||
| 376 | T | 28.9 | Very low | 33.1 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -55.2 | 106 | 164.2 | 26.6 | 0 | 0 | 0 | 0 | 109.7 | Q374 | Q374-T376 PolarHBondContact O-N 3.09Š| ||
| 377 | S | 29.8 | Very low | 33 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -84.9 | 116 | 164.6 | 43.3 | 0 | 0 | 0 | 0 | 109.1 | E375 | E375-S377 PolarHBondContact O-N 3.42Å; E375-S377 VanDerWaalsContact O-N 3.09Å | ||
| 378 | S | 32.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -88.1 | 105.6 | 160.7 | -64 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 379 | S | 30.3 | Very low | 31.6 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -0.5 | 139.4 | 130.8 | -71.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 380 | L | 29.7 | Very low | 31.3 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | cis | -173.8 | 154.1 | 20 | -90.2 | 147.4 | 0 | 0 | 0 | 105.3 | ||||
| 381 | L | 27.4 | Very low | 30.8 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -175.6 | 154.9 | 138.6 | -93.6 | -178.9 | 0 | 0 | 0 | 109.3 | ||||
| 382 | P | 33.7 | Very low | 30.5 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -112.2 | 151.2 | -143.2 | 22.3 | -2.1 | 0 | 0 | 0 | 115.9 | ||||
| 383 | Q | 27.5 | Very low | 30.2 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | 34.9 | 114.7 | 144.4 | -62.4 | 179.8 | 3.9 | 0 | 0 | 119.9 | ||||
| 384 | N | 29.5 | Very low | 29.9 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -75.4 | 154.9 | 153.7 | -87.6 | -13.3 | 0 | 0 | 0 | 111.3 | ||||
| 385 | P | 33.7 | Very low | 29.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -104.9 | 142.2 | 147.9 | 32.2 | -19.9 | 0 | 0 | 0 | 111.9 | ||||
| 386 | A | 26.8 | Very low | 29.7 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -69.5 | -177 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 387 | P | 42.3 | Very low | 30 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -133.8 | -177.4 | 12 | 33.6 | -8.5 | 0 | 0 | 0 | 112.5 | ||||
| 388 | T | 27.6 | Very low | 30 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 174.4 | 159.1 | 80.1 | -27.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 389 | E | 26.8 | Very low | 29.7 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | -37.4 | 154.6 | 178.5 | -55.8 | -178.9 | 133 | 0 | 0 | 119.2 | ||||
| 390 | H | 29.3 | Very low | 29.6 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | -174.6 | 153.8 | 111.1 | -100.2 | -74.8 | 0 | 0 | 0 | 114.5 | |||||
| 391 | L | 27.8 | Very low | 29.8 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -67.1 | 142.8 | -172.6 | -101.4 | 82.4 | 0 | 0 | 0 | 117.1 | ||||
| 392 | N | 26.4 | Very low | 30 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | 70.9 | 140.7 | 121.4 | -135.2 | 27.5 | 0 | 0 | 0 | 124.2 | |||||
| 393 | S | 26.6 | Very low | 30.2 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 57% | 0.566 | 78% | 0.775 | S | S | * | * | trans | 82.3 | 124.5 | 143.2 | 42.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 394 | N | 27.2 | Very low | 30.5 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 119.5 | 139.7 | -60.6 | -6.3 | 0 | 0 | 0 | 119.5 | ||||
| 395 | E | 28.5 | Very low | 30.6 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | 174.4 | 144.4 | 93.3 | -116.7 | 168.3 | 117 | 0 | 0 | 110.4 | |||||
| 396 | M | 30.2 | Very low | 30.8 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 64% | 0.64 | 78% | 0.781 | S | S | * | * | trans | -99.8 | 156.5 | 166.4 | -139.5 | -171.2 | 70.9 | 0 | 0 | 107.5 | E398 | M396-E398 HydrophobicContact CE-CB 4.17Å; M396-E398 HydrophobicContact CE-CG 3.51Å | ||
| 397 | P | 35.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | -140.5 | 153 | 113.8 | 26.8 | -8.4 | 0 | 0 | 0 | 114.5 | |||||
| 398 | E | 29.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -62.1 | 140.8 | 164.3 | -86.3 | 154.3 | 157.5 | 0 | 0 | 110.8 | M396 | M396-E398 HydrophobicContact CE-CB 4.17Å; M396-E398 HydrophobicContact CE-CG 3.51Å | ||
| 399 | D | 27.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -148.4 | 146.6 | 134.2 | -149.4 | -6 | 0 | 0 | 0 | 112.1 | ||||
| 400 | S | 28.3 | Very low | 34.9 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -76.3 | 146.5 | -170.2 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 401 | S | 33 | Very low | 36 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 178.3 | 112.2 | 139.4 | 38.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 402 | T | 33.6 | Very low | 37.3 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -95.9 | 150.2 | 154.9 | 37.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 403 | P | 37.1 | Very low | 38.6 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | -145.1 | 145.6 | 104.9 | 29.2 | -9.8 | 0 | 0 | 0 | 116.8 | |||||
| 404 | E | 33.3 | Very low | 39.6 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | 69.7 | 117.6 | 139.1 | -67.3 | -174.7 | 127.5 | 0 | 0 | 122.4 | ||||
| 405 | E | 31.7 | Very low | 40.6 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90 | 124.2 | 172.6 | -172.9 | 175.9 | 147.4 | 0 | 0 | 109.3 | ||
| 406 | M | 37.5 | Very low | 41.2 | Very low | 177 Ų | 177 | 144 Ų | 144 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 136.4 | 173.8 | -89 | -178.9 | -68.5 | 0 | 0 | 111.5 | ||
| 407 | P | 57.1 | Low | 41.6 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 153.7 | 171.2 | 31.4 | -31.6 | 0 | 0 | 0 | 112.4 | ||
| 408 | P | 50.8 | Low | 41.9 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 157.5 | -179.7 | 31.1 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 409 | P | 47.8 | Very low | 42.5 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 148.6 | -171.7 | 30.5 | -34.6 | 0 | 0 | 0 | 114.6 | ||
| 410 | E | 55 | Low | 43.2 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 150.9 | 175.5 | -80.4 | -177.9 | 150 | 0 | 0 | 113.8 | ||
| 411 | P | 52.5 | Low | 43.8 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 152.3 | 173.9 | 31.9 | -31.8 | 0 | 0 | 0 | 113.3 | ||
| 412 | P | 53.6 | Low | 44.5 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 145.3 | -175.3 | 29.2 | -34 | 0 | 0 | 0 | 114.1 | ||
| 413 | E | 54.5 | Low | 44.8 | Very low | 183 Ų | 183 | 153.7 Ų | 153.7 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 149.4 | 177.5 | -72.1 | -175 | 147.4 | 0 | 0 | 113.9 | ||
| 414 | P | 48.7 | Very low | 45.2 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 73% | 0.727 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -79 | 148.2 | 173.4 | 31 | -31.8 | 0 | 0 | 0 | 112.5 | ||
| 415 | P | 47.7 | Very low | 45.8 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 135.7 | 179.4 | -17.9 | 30.3 | 0 | 0 | 0 | 113.2 | ||
| 416 | Q | 41.2 | Very low | 46.6 | Very low | 193 Ų | 193 | 151.6 Ų | 151.6 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 136.5 | 176.5 | -70.3 | 174.8 | -23.2 | 0 | 0 | 112.4 | ||
| 417 | E | 38.3 | Very low | 47.2 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -77 | 115.7 | 173.5 | -156 | 172.2 | -176.3 | 0 | 0 | 108.8 | ||||
| 418 | A | 42.5 | Very low | 46.6 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | trans | -94.7 | 108.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 419 | A | 41.6 | Very low | 46.3 | Very low | 88 Ų | 88 | 154.5 Ų | 154.5 | 73% | 0.727 | 86% | 0.856 | S | S | * | * | trans | -91 | 166.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 420 | E | 41.1 | Very low | 46.2 | Very low | 197 Ų | 197 | 156.3 Ų | 156.3 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | 95.3 | 135.5 | 176.1 | -59.1 | -175.1 | 160.9 | 0 | 0 | 115.3 | ||||
| 421 | A | 41.8 | Very low | 45.5 | Very low | 81 Ų | 81 | 153.8 Ų | 153.8 | 67% | 0.669 | 86% | 0.855 | S | S | * | * | cis | -169.1 | 160.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 422 | E | 47.1 | Very low | 44.9 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 86% | 0.864 | S | S | * | * | trans | 39.6 | 120.1 | 152.7 | -73.9 | -177.4 | 100.1 | 0 | 0 | 121.8 | ||||
| 423 | K | 40.9 | Very low | 44.1 | Very low | 278 Ų | 278 | 159.7 Ų | 159.7 | 100% | 1.209 | 87% | 0.868 | S | S | * | * | -170.9 | 0 | 98.4 | -160.4 | 172.8 | -175.6 | -179 | 0 | 112.1 |
Retrieved 423 of 423 residues in 1016.8 ms
(Link to these results)